NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
563026 | 2m60 | 19101 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HCN FME 1 HF FME 1 1.710 -0.147 2.084 2 HA FME 1 HA FME 1 1.326 0.298 -2.110 3 HB2 FME 1 HB2 FME 1 3.943 0.927 -2.059 4 HB3 FME 1 HB3 FME 1 3.511 1.358 -0.367 5 HG2 FME 1 HG2 FME 1 3.116 3.399 -1.472 6 HG3 FME 1 HG3 FME 1 1.466 2.680 -1.500 7 HE1 FME 1 HE8 FME 1 4.817 3.280 -3.343 8 HE2 FME 1 HE2 FME 1 3.718 4.707 -3.529 9 HE3 FME 1 HE3 FME 1 4.229 3.752 -4.989 10 H GLY 2 H GLY 2 0.744 -2.022 -1.819 11 HA2 GLY 2 HA2 GLY 2 3.111 -3.562 -2.685 12 HA3 GLY 2 HA3 GLY 2 1.896 -4.266 -1.629 13 H ALA 3 H ALA 3 -0.434 -3.369 -2.801 14 HA ALA 3 HA ALA 3 -0.380 -4.860 -5.332 15 HB1 ALA 3 HB1 ALA 3 -2.979 -4.203 -4.110 16 HB2 ALA 3 HB2 ALA 3 -2.408 -5.708 -4.832 17 HB3 ALA 3 HB3 ALA 3 -1.944 -5.289 -3.183 18 H ILE 4 H ILE 4 -1.051 -1.760 -3.943 19 HA ILE 4 HA ILE 4 -2.696 -0.665 -5.933 20 HB ILE 4 HB ILE 4 -0.655 0.765 -4.225 21 HG12 ILE 4 HG12 ILE 4 -2.312 -0.534 -2.922 22 HG13 ILE 4 HG13 ILE 4 -2.501 1.201 -2.697 23 HG21 ILE 4 HG21 ILE 4 -2.434 1.677 -6.298 24 HG22 ILE 4 HG22 ILE 4 -2.832 2.429 -4.754 25 HG23 ILE 4 HG23 ILE 4 -1.200 2.567 -5.406 26 HD11 ILE 4 HD11 ILE 4 -4.160 -0.442 -4.590 27 HD12 ILE 4 HD12 ILE 4 -4.632 -0.040 -2.939 28 HD13 ILE 4 HD13 ILE 4 -4.410 1.242 -4.129 29 H ALA 5 H ALA 5 0.827 -0.827 -5.647 30 HA ALA 5 HA ALA 5 1.475 0.780 -7.849 31 HB1 ALA 5 HB1 ALA 5 3.646 -0.439 -7.825 32 HB2 ALA 5 HB2 ALA 5 3.161 0.195 -6.252 33 HB3 ALA 5 HB3 ALA 5 2.971 -1.522 -6.606 34 H LYS 6 H LYS 6 0.776 -2.676 -7.614 35 HA LYS 6 HA LYS 6 1.482 -3.444 -10.199 36 HB2 LYS 6 HB2 LYS 6 -0.714 -4.508 -8.415 37 HB3 LYS 6 HB3 LYS 6 -0.144 -5.306 -9.875 38 HG2 LYS 6 HG2 LYS 6 1.873 -4.616 -7.816 39 HG3 LYS 6 HG3 LYS 6 0.757 -5.938 -7.466 40 HD2 LYS 6 HD2 LYS 6 1.390 -6.901 -9.715 41 HD3 LYS 6 HD3 LYS 6 2.677 -5.694 -9.774 42 HE2 LYS 6 HE2 LYS 6 3.482 -6.590 -7.572 43 HE3 LYS 6 HE3 LYS 6 2.313 -7.898 -7.751 44 HZ1 LYS 6 HZ1 LYS 6 3.917 -7.573 -10.088 45 HZ2 LYS 6 HZ2 LYS 6 3.650 -8.956 -9.153 46 HZ3 LYS 6 HZ3 LYS 6 4.868 -7.866 -8.720 47 H LEU 7 H LEU 7 -1.265 -1.670 -9.043 48 HA LEU 7 HA LEU 7 -2.655 -1.945 -11.599 49 HB2 LEU 7 HB2 LEU 7 -3.585 -0.329 -9.249 50 HB3 LEU 7 HB3 LEU 7 -4.544 -1.015 -10.559 51 HG LEU 7 HG LEU 7 -3.138 -2.713 -8.509 52 HD11 LEU 7 HD11 LEU 7 -5.780 -2.831 -7.866 53 HD12 LEU 7 HD12 LEU 7 -5.586 -1.126 -8.271 54 HD13 LEU 7 HD13 LEU 7 -4.576 -1.855 -7.023 55 HD21 LEU 7 HD21 LEU 7 -5.247 -4.131 -9.314 56 HD22 LEU 7 HD22 LEU 7 -3.694 -4.179 -10.149 57 HD23 LEU 7 HD23 LEU 7 -4.998 -3.165 -10.769 58 H VAL 8 H VAL 8 -1.061 0.466 -9.586 59 HA VAL 8 HA VAL 8 -1.721 2.727 -11.145 60 HB VAL 8 HB VAL 8 0.670 2.290 -9.349 61 HG11 VAL 8 HG11 VAL 8 1.400 4.245 -10.114 62 HG12 VAL 8 HG12 VAL 8 -0.060 4.478 -11.078 63 HG13 VAL 8 HG13 VAL 8 -0.024 4.991 -9.391 64 HG21 VAL 8 HG21 VAL 8 -0.627 2.739 -7.578 65 HG22 VAL 8 HG22 VAL 8 -1.511 4.007 -8.428 66 HG23 VAL 8 HG23 VAL 8 -1.972 2.317 -8.638 67 H ALA 9 H ALA 9 0.767 0.294 -11.414 68 HA ALA 9 HA ALA 9 2.623 1.544 -13.036 69 HB1 ALA 9 HB1 ALA 9 1.794 -1.248 -12.568 70 HB2 ALA 9 HB2 ALA 9 2.692 -0.941 -14.056 71 HB3 ALA 9 HB3 ALA 9 3.394 -0.508 -12.497 72 H LYS 10 H LYS 10 -0.571 0.403 -13.811 73 HA LYS 10 HA LYS 10 -0.116 0.973 -16.659 74 HB2 LYS 10 HB2 LYS 10 -2.458 -0.453 -15.387 75 HB3 LYS 10 HB3 LYS 10 -2.122 -0.313 -17.108 76 HG2 LYS 10 HG2 LYS 10 -0.278 -1.695 -15.177 77 HG3 LYS 10 HG3 LYS 10 -1.559 -2.523 -16.067 78 HD2 LYS 10 HD2 LYS 10 -0.538 -1.740 -18.182 79 HD3 LYS 10 HD3 LYS 10 0.777 -1.021 -17.250 80 HE2 LYS 10 HE2 LYS 10 0.059 -3.939 -17.091 81 HE3 LYS 10 HE3 LYS 10 1.227 -3.302 -18.247 82 HZ1 LYS 10 HZ1 LYS 10 2.384 -4.087 -16.327 83 HZ2 LYS 10 HZ2 LYS 10 1.408 -3.178 -15.287 84 HZ3 LYS 10 HZ3 LYS 10 2.480 -2.398 -16.338 85 H PHE 11 H PHE 11 -2.243 1.698 -13.932 86 HA PHE 11 HA PHE 11 -3.854 3.548 -15.419 87 HB2 PHE 11 HB2 PHE 11 -3.609 3.125 -12.432 88 HB3 PHE 11 HB3 PHE 11 -4.847 4.094 -13.225 89 HD1 PHE 11 HD1 PHE 11 -5.578 2.403 -15.500 90 HD2 PHE 11 HD2 PHE 11 -4.741 1.359 -11.460 91 HE1 PHE 11 HE1 PHE 11 -6.997 0.405 -15.727 92 HE2 PHE 11 HE2 PHE 11 -6.157 -0.641 -11.680 93 HZ PHE 11 HZ PHE 11 -7.286 -1.120 -13.815 94 H GLY 12 H GLY 12 -1.968 4.187 -12.466 95 HA2 GLY 12 HA2 GLY 12 -0.084 5.777 -12.596 96 HA3 GLY 12 HA3 GLY 12 -1.060 6.701 -13.728 97 H TRP 13 H TRP 13 -0.129 8.156 -11.774 98 HA TRP 13 HA TRP 13 -1.633 8.155 -9.370 99 HB2 TRP 13 HB2 TRP 13 -0.392 10.664 -10.423 100 HB3 TRP 13 HB3 TRP 13 -0.421 10.033 -8.778 101 HD1 TRP 13 HD1 TRP 13 1.946 10.600 -11.430 102 HE1 TRP 13 HE1 TRP 13 4.021 9.094 -11.209 103 HE3 TRP 13 HE3 TRP 13 0.125 7.198 -8.077 104 HZ2 TRP 13 HZ2 TRP 13 4.785 6.770 -9.800 105 HZ3 TRP 13 HZ3 TRP 13 1.592 5.363 -7.344 106 HH2 TRP 13 HH2 TRP 13 3.874 5.155 -8.190 107 HA PRO 14 HA PRO 14 -4.113 11.731 -11.507 108 HB2 PRO 14 HB2 PRO 14 -3.893 11.911 -14.207 109 HB3 PRO 14 HB3 PRO 14 -2.829 12.781 -13.096 110 HG2 PRO 14 HG2 PRO 14 -2.339 10.226 -14.578 111 HG3 PRO 14 HG3 PRO 14 -1.250 11.604 -14.332 112 HD2 PRO 14 HD2 PRO 14 -1.081 9.333 -12.867 113 HD3 PRO 14 HD3 PRO 14 -0.672 10.929 -12.205 114 H PHE 15 H PHE 15 -3.773 8.517 -12.524 115 HA PHE 15 HA PHE 15 -6.455 8.454 -13.714 116 HB2 PHE 15 HB2 PHE 15 -4.264 7.357 -14.730 117 HB3 PHE 15 HB3 PHE 15 -4.698 6.043 -13.642 118 HD1 PHE 15 HD1 PHE 15 -6.881 4.897 -13.908 119 HD2 PHE 15 HD2 PHE 15 -5.458 7.748 -16.730 120 HE1 PHE 15 HE1 PHE 15 -8.495 4.057 -15.565 121 HE2 PHE 15 HE2 PHE 15 -7.071 6.914 -18.391 122 HZ PHE 15 HZ PHE 15 -8.592 5.067 -17.809 123 H ILE 16 H ILE 16 -4.503 7.111 -11.113 124 HA ILE 16 HA ILE 16 -6.583 5.384 -10.146 125 HB ILE 16 HB ILE 16 -4.143 4.942 -9.803 126 HG12 ILE 16 HG12 ILE 16 -5.740 5.136 -7.242 127 HG13 ILE 16 HG13 ILE 16 -5.952 3.873 -8.449 128 HG21 ILE 16 HG21 ILE 16 -3.633 7.343 -9.214 129 HG22 ILE 16 HG22 ILE 16 -4.310 7.006 -7.622 130 HG23 ILE 16 HG23 ILE 16 -2.888 6.124 -8.180 131 HD11 ILE 16 HD11 ILE 16 -3.913 2.896 -7.964 132 HD12 ILE 16 HD12 ILE 16 -3.278 4.358 -7.208 133 HD13 ILE 16 HD13 ILE 16 -4.504 3.397 -6.380 134 H LYS 17 H LYS 17 -5.518 8.645 -9.530 135 HA LYS 17 HA LYS 17 -6.858 9.009 -7.054 136 HB2 LYS 17 HB2 LYS 17 -6.353 11.318 -7.287 137 HB3 LYS 17 HB3 LYS 17 -4.993 10.444 -7.982 138 HG2 LYS 17 HG2 LYS 17 -5.917 10.830 -10.227 139 HG3 LYS 17 HG3 LYS 17 -7.235 11.757 -9.506 140 HD2 LYS 17 HD2 LYS 17 -4.327 12.440 -9.115 141 HD3 LYS 17 HD3 LYS 17 -5.314 13.115 -10.414 142 HE2 LYS 17 HE2 LYS 17 -6.836 14.079 -8.791 143 HE3 LYS 17 HE3 LYS 17 -5.935 13.338 -7.470 144 HZ1 LYS 17 HZ1 LYS 17 -4.618 15.098 -7.429 145 HZ2 LYS 17 HZ2 LYS 17 -5.483 15.809 -8.696 146 HZ3 LYS 17 HZ3 LYS 17 -4.150 14.824 -9.032 147 H LYS 18 H LYS 18 -7.917 8.923 -10.315 148 HA LYS 18 HA LYS 18 -10.210 10.564 -10.113 149 HB2 LYS 18 HB2 LYS 18 -9.350 8.376 -11.974 150 HB3 LYS 18 HB3 LYS 18 -10.983 9.021 -12.074 151 HG2 LYS 18 HG2 LYS 18 -8.640 10.872 -12.115 152 HG3 LYS 18 HG3 LYS 18 -9.117 10.003 -13.576 153 HD2 LYS 18 HD2 LYS 18 -11.439 10.913 -13.225 154 HD3 LYS 18 HD3 LYS 18 -10.764 11.940 -11.958 155 HE2 LYS 18 HE2 LYS 18 -10.546 13.395 -13.677 156 HE3 LYS 18 HE3 LYS 18 -9.048 12.502 -13.934 157 HZ1 LYS 18 HZ1 LYS 18 -11.446 11.463 -15.227 158 HZ2 LYS 18 HZ2 LYS 18 -9.850 11.507 -15.783 159 HZ3 LYS 18 HZ3 LYS 18 -10.808 12.899 -15.851 160 H PHE 19 H PHE 19 -9.578 7.221 -9.303 161 HA PHE 19 HA PHE 19 -12.179 7.089 -7.983 162 HB2 PHE 19 HB2 PHE 19 -11.187 4.951 -9.880 163 HB3 PHE 19 HB3 PHE 19 -12.644 4.855 -8.896 164 HD1 PHE 19 HD1 PHE 19 -11.064 6.529 -11.764 165 HD2 PHE 19 HD2 PHE 19 -14.651 5.953 -9.545 166 HE1 PHE 19 HE1 PHE 19 -12.350 7.589 -13.574 167 HE2 PHE 19 HE2 PHE 19 -15.942 7.011 -11.353 168 HZ PHE 19 HZ PHE 19 -14.792 7.830 -13.371 169 H TYR 20 H TYR 20 -9.714 7.476 -6.790 170 HA TYR 20 HA TYR 20 -8.389 5.146 -5.966 171 HB2 TYR 20 HB2 TYR 20 -7.429 7.379 -5.675 172 HB3 TYR 20 HB3 TYR 20 -8.689 7.785 -4.516 173 HD1 TYR 20 HD1 TYR 20 -6.024 5.222 -5.061 174 HD2 TYR 20 HD2 TYR 20 -8.222 7.557 -2.264 175 HE1 TYR 20 HE1 TYR 20 -4.619 4.352 -3.239 176 HE2 TYR 20 HE2 TYR 20 -6.822 6.694 -0.435 177 HH TYR 20 HH TYR 20 -3.995 5.417 -0.727 178 H LYS 21 H LYS 21 -11.367 6.589 -4.941 179 HA LYS 21 HA LYS 21 -11.567 5.307 -2.412 180 HB2 LYS 21 HB2 LYS 21 -12.891 7.335 -3.380 181 HB3 LYS 21 HB3 LYS 21 -13.958 6.102 -4.039 182 HG2 LYS 21 HG2 LYS 21 -14.944 6.716 -2.018 183 HG3 LYS 21 HG3 LYS 21 -14.111 5.202 -1.658 184 HD2 LYS 21 HD2 LYS 21 -12.305 6.367 -0.606 185 HD3 LYS 21 HD3 LYS 21 -12.928 7.928 -1.148 186 HE2 LYS 21 HE2 LYS 21 -14.868 7.688 0.271 187 HE3 LYS 21 HE3 LYS 21 -14.368 6.063 0.735 188 HZ1 LYS 21 HZ1 LYS 21 -13.741 7.498 2.479 189 HZ2 LYS 21 HZ2 LYS 21 -13.051 8.626 1.424 190 HZ3 LYS 21 HZ3 LYS 21 -12.311 7.123 1.657 191 H GLN 22 H GLN 22 -12.349 4.376 -5.683 192 HA GLN 22 HA GLN 22 -13.754 1.986 -4.787 193 HB2 GLN 22 HB2 GLN 22 -14.518 3.391 -6.756 194 HB3 GLN 22 HB3 GLN 22 -13.118 2.778 -7.627 195 HG2 GLN 22 HG2 GLN 22 -14.736 1.328 -8.328 196 HG3 GLN 22 HG3 GLN 22 -14.078 0.449 -6.949 197 HE21 GLN 22 HE21 GLN 22 -16.623 0.004 -8.010 198 HE22 GLN 22 HE22 GLN 22 -17.798 0.458 -6.827 199 H ILE 23 H ILE 23 -10.846 2.864 -6.618 200 HA ILE 23 HA ILE 23 -9.947 0.261 -7.142 201 HB ILE 23 HB ILE 23 -8.301 2.765 -6.760 202 HG12 ILE 23 HG12 ILE 23 -9.081 1.543 -9.392 203 HG13 ILE 23 HG13 ILE 23 -10.174 2.644 -8.562 204 HG21 ILE 23 HG21 ILE 23 -6.922 0.784 -6.577 205 HG22 ILE 23 HG22 ILE 23 -7.608 0.139 -8.067 206 HG23 ILE 23 HG23 ILE 23 -6.610 1.592 -8.113 207 HD11 ILE 23 HD11 ILE 23 -7.563 3.181 -9.863 208 HD12 ILE 23 HD12 ILE 23 -9.067 4.102 -9.912 209 HD13 ILE 23 HD13 ILE 23 -8.037 4.171 -8.483 210 H MET 24 H MET 24 -8.852 2.516 -4.599 211 HA MET 24 HA MET 24 -7.186 0.738 -3.254 212 HB2 MET 24 HB2 MET 24 -7.308 3.209 -2.885 213 HB3 MET 24 HB3 MET 24 -8.804 2.958 -1.995 214 HG2 MET 24 HG2 MET 24 -7.238 1.261 -0.663 215 HG3 MET 24 HG3 MET 24 -6.012 2.399 -1.216 216 HE1 MET 24 HE1 MET 24 -6.964 1.936 2.123 217 HE2 MET 24 HE2 MET 24 -5.525 2.498 1.273 218 HE3 MET 24 HE3 MET 24 -6.355 3.567 2.404 219 H GLN 25 H GLN 25 -10.639 1.002 -3.269 220 HA GLN 25 HA GLN 25 -11.135 -0.386 -0.837 221 HB2 GLN 25 HB2 GLN 25 -12.717 0.599 -3.114 222 HB3 GLN 25 HB3 GLN 25 -13.377 -0.830 -2.329 223 HG2 GLN 25 HG2 GLN 25 -12.599 1.662 -0.840 224 HG3 GLN 25 HG3 GLN 25 -14.218 1.369 -1.474 225 HE21 GLN 25 HE21 GLN 25 -15.377 -0.480 -0.670 226 HE22 GLN 25 HE22 GLN 25 -15.069 -1.057 0.929 227 H PHE 26 H PHE 26 -10.986 -1.383 -4.235 228 HA PHE 26 HA PHE 26 -11.786 -4.018 -3.989 229 HB2 PHE 26 HB2 PHE 26 -9.727 -2.783 -5.823 230 HB3 PHE 26 HB3 PHE 26 -10.305 -4.437 -5.990 231 HD1 PHE 26 HD1 PHE 26 -13.149 -4.216 -5.508 232 HD2 PHE 26 HD2 PHE 26 -10.544 -1.591 -7.616 233 HE1 PHE 26 HE1 PHE 26 -15.048 -3.418 -6.854 234 HE2 PHE 26 HE2 PHE 26 -12.439 -0.789 -8.965 235 HZ PHE 26 HZ PHE 26 -14.694 -1.701 -8.585 236 H ILE 27 H ILE 27 -8.478 -2.727 -3.740 237 HA ILE 27 HA ILE 27 -7.139 -5.101 -3.238 238 HB ILE 27 HB ILE 27 -6.515 -2.382 -2.079 239 HG12 ILE 27 HG12 ILE 27 -6.645 -2.313 -4.509 240 HG13 ILE 27 HG13 ILE 27 -4.963 -2.198 -4.001 241 HG21 ILE 27 HG21 ILE 27 -5.042 -4.969 -2.125 242 HG22 ILE 27 HG22 ILE 27 -4.128 -3.467 -2.264 243 HG23 ILE 27 HG23 ILE 27 -5.147 -3.752 -0.853 244 HD11 ILE 27 HD11 ILE 27 -4.895 -4.734 -4.392 245 HD12 ILE 27 HD12 ILE 27 -6.384 -4.481 -5.302 246 HD13 ILE 27 HD13 ILE 27 -4.902 -3.662 -5.792 247 H GLY 28 H GLY 28 -8.591 -2.850 -0.891 248 HA2 GLY 28 HA2 GLY 28 -7.893 -4.316 1.414 249 HA3 GLY 28 HA3 GLY 28 -9.186 -3.131 1.308 250 H GLN 29 H GLN 29 -10.320 -4.860 -0.959 251 HA GLN 29 HA GLN 29 -11.999 -6.456 0.772 252 HB2 GLN 29 HB2 GLN 29 -13.124 -5.244 -0.953 253 HB3 GLN 29 HB3 GLN 29 -12.051 -5.887 -2.190 254 HG2 GLN 29 HG2 GLN 29 -14.195 -6.965 -2.326 255 HG3 GLN 29 HG3 GLN 29 -12.976 -8.127 -1.804 256 HE21 GLN 29 HE21 GLN 29 -14.275 -9.519 -0.732 257 HE22 GLN 29 HE22 GLN 29 -15.177 -9.110 0.683 258 H GLY 30 H GLY 30 -9.395 -6.938 -1.488 259 HA2 GLY 30 HA2 GLY 30 -8.049 -8.948 -1.207 260 HA3 GLY 30 HA3 GLY 30 -9.542 -9.833 -0.929 261 H TRP 31 H TRP 31 -9.520 -7.462 -3.429 262 HA TRP 31 HA TRP 31 -10.078 -9.458 -5.410 263 HB2 TRP 31 HB2 TRP 31 -9.964 -6.474 -5.355 264 HB3 TRP 31 HB3 TRP 31 -9.886 -7.288 -6.915 265 HD1 TRP 31 HD1 TRP 31 -12.071 -8.765 -4.164 266 HE1 TRP 31 HE1 TRP 31 -14.542 -8.518 -4.842 267 HE3 TRP 31 HE3 TRP 31 -11.487 -5.806 -8.292 268 HZ2 TRP 31 HZ2 TRP 31 -16.044 -7.238 -6.861 269 HZ3 TRP 31 HZ3 TRP 31 -13.491 -5.115 -9.541 270 HH2 TRP 31 HH2 TRP 31 -15.721 -5.818 -8.839 271 H THR 32 H THR 32 -8.785 -10.251 -6.984 272 HA THR 32 HA THR 32 -6.000 -10.211 -6.665 273 HB THR 32 HB THR 32 -5.854 -11.454 -8.717 274 HG1 THR 32 HG1 THR 32 -8.007 -11.669 -9.890 275 HG21 THR 32 HG21 THR 32 -7.425 -12.211 -6.579 276 HG22 THR 32 HG22 THR 32 -6.846 -13.273 -7.863 277 HG23 THR 32 HG23 THR 32 -8.450 -12.549 -7.973 278 H ILE 33 H ILE 33 -4.426 -9.559 -8.381 279 HA ILE 33 HA ILE 33 -4.585 -6.779 -8.842 280 HB ILE 33 HB ILE 33 -2.720 -8.793 -10.102 281 HG12 ILE 33 HG12 ILE 33 -2.165 -6.966 -7.766 282 HG13 ILE 33 HG13 ILE 33 -2.769 -8.606 -7.557 283 HG21 ILE 33 HG21 ILE 33 -2.786 -6.721 -11.364 284 HG22 ILE 33 HG22 ILE 33 -2.515 -5.793 -9.890 285 HG23 ILE 33 HG23 ILE 33 -1.255 -6.864 -10.501 286 HD11 ILE 33 HD11 ILE 33 -0.618 -8.937 -9.236 287 HD12 ILE 33 HD12 ILE 33 -0.090 -7.667 -8.132 288 HD13 ILE 33 HD13 ILE 33 -0.638 -9.218 -7.496 289 H ASP 34 H ASP 34 -5.559 -9.523 -10.710 290 HA ASP 34 HA ASP 34 -5.730 -8.059 -13.199 291 HB2 ASP 34 HB2 ASP 34 -6.922 -10.767 -12.606 292 HB3 ASP 34 HB3 ASP 34 -6.484 -10.098 -14.176 293 H GLN 35 H GLN 35 -7.782 -8.845 -10.520 294 HA GLN 35 HA GLN 35 -10.301 -8.582 -11.695 295 HB2 GLN 35 HB2 GLN 35 -9.267 -8.130 -8.915 296 HB3 GLN 35 HB3 GLN 35 -10.941 -7.764 -9.311 297 HG2 GLN 35 HG2 GLN 35 -9.886 -10.428 -10.073 298 HG3 GLN 35 HG3 GLN 35 -10.200 -10.114 -8.366 299 HE21 GLN 35 HE21 GLN 35 -11.824 -11.743 -8.492 300 HE22 GLN 35 HE22 GLN 35 -13.379 -11.378 -9.150 301 H ILE 36 H ILE 36 -8.208 -6.124 -10.217 302 HA ILE 36 HA ILE 36 -10.027 -3.980 -10.771 303 HB ILE 36 HB ILE 36 -7.106 -3.876 -10.012 304 HG12 ILE 36 HG12 ILE 36 -8.381 -3.087 -7.800 305 HG13 ILE 36 HG13 ILE 36 -9.636 -4.128 -8.463 306 HG21 ILE 36 HG21 ILE 36 -7.208 -1.683 -10.321 307 HG22 ILE 36 HG22 ILE 36 -8.862 -1.839 -10.909 308 HG23 ILE 36 HG23 ILE 36 -8.558 -1.579 -9.191 309 HD11 ILE 36 HD11 ILE 36 -8.404 -6.027 -8.170 310 HD12 ILE 36 HD12 ILE 36 -6.862 -5.176 -8.275 311 HD13 ILE 36 HD13 ILE 36 -7.837 -5.058 -6.811 312 H GLU 37 H GLU 37 -6.857 -4.925 -12.100 313 HA GLU 37 HA GLU 37 -6.606 -2.987 -14.049 314 HB2 GLU 37 HB2 GLU 37 -5.606 -5.774 -13.749 315 HB3 GLU 37 HB3 GLU 37 -5.445 -5.019 -15.328 316 HG2 GLU 37 HG2 GLU 37 -4.321 -3.090 -14.152 317 HG3 GLU 37 HG3 GLU 37 -4.272 -4.114 -12.718 318 H LYS 38 H LYS 38 -8.603 -5.851 -14.030 319 HA LYS 38 HA LYS 38 -9.324 -5.538 -16.830 320 HB2 LYS 38 HB2 LYS 38 -10.154 -7.522 -14.712 321 HB3 LYS 38 HB3 LYS 38 -10.823 -7.514 -16.338 322 HG2 LYS 38 HG2 LYS 38 -8.762 -8.095 -17.304 323 HG3 LYS 38 HG3 LYS 38 -7.872 -7.719 -15.826 324 HD2 LYS 38 HD2 LYS 38 -8.499 -9.672 -14.792 325 HD3 LYS 38 HD3 LYS 38 -9.984 -9.820 -15.733 326 HE2 LYS 38 HE2 LYS 38 -8.563 -10.311 -17.733 327 HE3 LYS 38 HE3 LYS 38 -7.166 -10.356 -16.659 328 HZ1 LYS 38 HZ1 LYS 38 -9.232 -12.321 -17.069 329 HZ2 LYS 38 HZ2 LYS 38 -8.899 -12.021 -15.438 330 HZ3 LYS 38 HZ3 LYS 38 -7.659 -12.513 -16.478 331 H TRP 39 H TRP 39 -10.752 -5.121 -13.633 332 HA TRP 39 HA TRP 39 -13.387 -4.603 -14.412 333 HB2 TRP 39 HB2 TRP 39 -12.844 -4.996 -12.090 334 HB3 TRP 39 HB3 TRP 39 -11.811 -3.570 -12.047 335 HD1 TRP 39 HD1 TRP 39 -15.472 -4.623 -11.922 336 HE1 TRP 39 HE1 TRP 39 -16.893 -2.604 -11.194 337 HE3 TRP 39 HE3 TRP 39 -11.879 -0.992 -12.108 338 HZ2 TRP 39 HZ2 TRP 39 -16.538 0.162 -10.757 339 HZ3 TRP 39 HZ3 TRP 39 -12.502 1.315 -11.520 340 HH2 TRP 39 HH2 TRP 39 -14.784 1.878 -10.859 341 H LEU 40 H LEU 40 -10.568 -2.506 -14.255 342 HA LEU 40 HA LEU 40 -12.172 -0.209 -15.093 343 HB2 LEU 40 HB2 LEU 40 -10.575 0.109 -13.271 344 HB3 LEU 40 HB3 LEU 40 -9.262 -0.404 -14.329 345 HG LEU 40 HG LEU 40 -9.502 1.575 -15.676 346 HD11 LEU 40 HD11 LEU 40 -11.946 1.768 -15.538 347 HD12 LEU 40 HD12 LEU 40 -11.137 3.296 -15.190 348 HD13 LEU 40 HD13 LEU 40 -11.798 2.329 -13.872 349 HD21 LEU 40 HD21 LEU 40 -8.187 2.607 -14.220 350 HD22 LEU 40 HD22 LEU 40 -8.804 1.579 -12.926 351 HD23 LEU 40 HD23 LEU 40 -9.599 3.112 -13.290 352 H LYS 41 H LYS 41 -9.086 -1.719 -16.061 353 HA LYS 41 HA LYS 41 -8.018 -1.825 -18.071 354 HB2 LYS 41 HB2 LYS 41 -10.228 -3.194 -18.365 355 HB3 LYS 41 HB3 LYS 41 -10.693 -1.869 -19.423 356 HG2 LYS 41 HG2 LYS 41 -9.754 -3.245 -20.960 357 HG3 LYS 41 HG3 LYS 41 -8.309 -2.358 -20.469 358 HD2 LYS 41 HD2 LYS 41 -7.465 -4.131 -19.270 359 HD3 LYS 41 HD3 LYS 41 -9.059 -4.833 -18.982 360 HE2 LYS 41 HE2 LYS 41 -7.767 -4.734 -21.700 361 HE3 LYS 41 HE3 LYS 41 -7.568 -6.088 -20.589 362 HZ1 LYS 41 HZ1 LYS 41 -9.333 -6.737 -21.905 363 HZ2 LYS 41 HZ2 LYS 41 -10.002 -5.185 -21.984 364 HZ3 LYS 41 HZ3 LYS 41 -10.124 -6.087 -20.558 365 H ARG 42 H ARG 42 -8.367 0.782 -17.132 366 HA ARG 42 HA ARG 42 -8.200 2.952 -17.790 367 HB2 ARG 42 HB2 ARG 42 -6.682 1.630 -19.509 368 HB3 ARG 42 HB3 ARG 42 -7.915 2.149 -20.650 369 HG2 ARG 42 HG2 ARG 42 -7.456 4.427 -20.269 370 HG3 ARG 42 HG3 ARG 42 -6.500 4.070 -18.829 371 HD2 ARG 42 HD2 ARG 42 -4.752 3.113 -20.128 372 HD3 ARG 42 HD3 ARG 42 -5.744 3.129 -21.586 373 HE ARG 42 HE ARG 42 -5.515 5.757 -20.705 374 HH11 ARG 42 HH11 ARG 42 -3.458 3.222 -21.915 375 HH12 ARG 42 HH12 ARG 42 -2.316 4.312 -22.629 376 HH21 ARG 42 HH21 ARG 42 -4.018 7.202 -21.640 377 HH22 ARG 42 HH22 ARG 42 -2.635 6.575 -22.470 378 H HIS 43 H HIS 43 -10.728 2.322 -17.399 379 HA HIS 43 HA HIS 43 -12.484 2.548 -19.588 380 HB2 HIS 43 HB2 HIS 43 -13.044 1.739 -17.250 381 HB3 HIS 43 HB3 HIS 43 -13.083 3.431 -16.763 382 HD1 HIS 43 HD1 HIS 43 -15.482 3.958 -16.449 383 HD2 HIS 43 HD2 HIS 43 -14.812 1.786 -19.926 384 HE1 HIS 43 HE1 HIS 43 -17.713 3.833 -17.604 Start of MODEL 2 1 HCN FME 1 HF FME 1 0.991 2.765 -2.718 2 HA FME 1 HA FME 1 1.441 -0.488 -0.058 3 HB2 FME 1 HB2 FME 1 0.640 2.340 0.623 4 HB3 FME 1 HB3 FME 1 1.910 1.251 1.283 5 HG2 FME 1 HG2 FME 1 -1.133 0.922 1.776 6 HG3 FME 1 HG3 FME 1 0.038 1.642 2.937 7 HE1 FME 1 HE8 FME 1 -1.362 -0.330 4.317 8 HE2 FME 1 HE2 FME 1 -1.066 -2.106 4.117 9 HE3 FME 1 HE3 FME 1 -2.012 -1.190 2.863 10 H GLY 2 H GLY 2 0.350 -2.100 -0.696 11 HA2 GLY 2 HA2 GLY 2 -1.632 -3.356 -0.173 12 HA3 GLY 2 HA3 GLY 2 -2.574 -1.892 -0.415 13 H ALA 3 H ALA 3 -0.185 -3.695 -2.356 14 HA ALA 3 HA ALA 3 -0.208 -4.374 -4.530 15 HB1 ALA 3 HB1 ALA 3 -3.147 -4.692 -3.935 16 HB2 ALA 3 HB2 ALA 3 -2.324 -5.350 -5.350 17 HB3 ALA 3 HB3 ALA 3 -1.889 -5.913 -3.736 18 H ILE 4 H ILE 4 -0.477 -1.532 -3.991 19 HA ILE 4 HA ILE 4 -2.153 -0.626 -6.222 20 HB ILE 4 HB ILE 4 -0.776 1.020 -4.096 21 HG12 ILE 4 HG12 ILE 4 -2.562 -0.405 -3.176 22 HG13 ILE 4 HG13 ILE 4 -3.008 1.298 -3.128 23 HG21 ILE 4 HG21 ILE 4 -2.046 1.708 -6.587 24 HG22 ILE 4 HG22 ILE 4 -2.896 2.439 -5.226 25 HG23 ILE 4 HG23 ILE 4 -1.172 2.735 -5.452 26 HD11 ILE 4 HD11 ILE 4 -3.938 0.267 -5.580 27 HD12 ILE 4 HD12 ILE 4 -4.388 -0.880 -4.318 28 HD13 ILE 4 HD13 ILE 4 -4.878 0.809 -4.190 29 H ALA 5 H ALA 5 1.135 -0.999 -5.218 30 HA ALA 5 HA ALA 5 2.364 0.846 -6.962 31 HB1 ALA 5 HB1 ALA 5 3.499 -1.734 -5.889 32 HB2 ALA 5 HB2 ALA 5 4.414 -0.373 -6.539 33 HB3 ALA 5 HB3 ALA 5 3.503 -0.187 -5.040 34 H LYS 6 H LYS 6 1.072 -2.346 -7.438 35 HA LYS 6 HA LYS 6 2.403 -2.788 -9.953 36 HB2 LYS 6 HB2 LYS 6 0.015 -4.242 -8.806 37 HB3 LYS 6 HB3 LYS 6 1.072 -4.805 -10.094 38 HG2 LYS 6 HG2 LYS 6 2.044 -4.258 -7.304 39 HG3 LYS 6 HG3 LYS 6 1.443 -5.832 -7.828 40 HD2 LYS 6 HD2 LYS 6 3.548 -4.494 -9.456 41 HD3 LYS 6 HD3 LYS 6 4.012 -5.242 -7.927 42 HE2 LYS 6 HE2 LYS 6 2.728 -7.299 -8.791 43 HE3 LYS 6 HE3 LYS 6 2.828 -6.520 -10.369 44 HZ1 LYS 6 HZ1 LYS 6 4.670 -7.951 -10.214 45 HZ2 LYS 6 HZ2 LYS 6 5.061 -7.433 -8.652 46 HZ3 LYS 6 HZ3 LYS 6 5.292 -6.397 -9.969 47 H LEU 7 H LEU 7 -0.708 -1.582 -8.869 48 HA LEU 7 HA LEU 7 -1.858 -1.537 -11.505 49 HB2 LEU 7 HB2 LEU 7 -2.866 0.044 -9.168 50 HB3 LEU 7 HB3 LEU 7 -3.775 -0.646 -10.511 51 HG LEU 7 HG LEU 7 -2.448 -2.313 -8.381 52 HD11 LEU 7 HD11 LEU 7 -5.303 -2.259 -8.200 53 HD12 LEU 7 HD12 LEU 7 -4.667 -0.620 -8.066 54 HD13 LEU 7 HD13 LEU 7 -4.098 -1.878 -6.969 55 HD21 LEU 7 HD21 LEU 7 -4.492 -3.770 -9.325 56 HD22 LEU 7 HD22 LEU 7 -2.866 -3.829 -10.006 57 HD23 LEU 7 HD23 LEU 7 -4.107 -2.833 -10.769 58 H VAL 8 H VAL 8 -0.478 0.854 -9.283 59 HA VAL 8 HA VAL 8 -0.955 3.111 -10.918 60 HB VAL 8 HB VAL 8 1.159 2.704 -8.797 61 HG11 VAL 8 HG11 VAL 8 1.982 4.642 -9.533 62 HG12 VAL 8 HG12 VAL 8 0.598 4.917 -10.593 63 HG13 VAL 8 HG13 VAL 8 0.516 5.387 -8.894 64 HG21 VAL 8 HG21 VAL 8 -0.372 3.201 -7.227 65 HG22 VAL 8 HG22 VAL 8 -1.188 4.384 -8.250 66 HG23 VAL 8 HG23 VAL 8 -1.531 2.665 -8.444 67 H ALA 9 H ALA 9 1.486 0.653 -10.939 68 HA ALA 9 HA ALA 9 3.564 1.966 -12.262 69 HB1 ALA 9 HB1 ALA 9 2.744 -0.838 -11.868 70 HB2 ALA 9 HB2 ALA 9 3.813 -0.530 -13.237 71 HB3 ALA 9 HB3 ALA 9 4.307 -0.062 -11.610 72 H LYS 10 H LYS 10 0.478 0.952 -13.402 73 HA LYS 10 HA LYS 10 1.304 1.504 -16.177 74 HB2 LYS 10 HB2 LYS 10 -1.109 -0.089 -15.307 75 HB3 LYS 10 HB3 LYS 10 -0.471 0.073 -16.938 76 HG2 LYS 10 HG2 LYS 10 1.033 -1.221 -14.677 77 HG3 LYS 10 HG3 LYS 10 0.026 -2.103 -15.827 78 HD2 LYS 10 HD2 LYS 10 2.199 -0.280 -16.791 79 HD3 LYS 10 HD3 LYS 10 2.576 -1.920 -16.257 80 HE2 LYS 10 HE2 LYS 10 2.221 -2.283 -18.491 81 HE3 LYS 10 HE3 LYS 10 0.595 -2.550 -17.865 82 HZ1 LYS 10 HZ1 LYS 10 -0.182 -0.686 -18.835 83 HZ2 LYS 10 HZ2 LYS 10 1.118 -0.927 -19.889 84 HZ3 LYS 10 HZ3 LYS 10 1.254 0.181 -18.618 85 H PHE 11 H PHE 11 -0.927 2.248 -13.613 86 HA PHE 11 HA PHE 11 -2.584 3.928 -15.296 87 HB2 PHE 11 HB2 PHE 11 -2.606 3.424 -12.315 88 HB3 PHE 11 HB3 PHE 11 -3.770 4.440 -13.158 89 HD1 PHE 11 HD2 PHE 11 -4.282 2.864 -15.582 90 HD2 PHE 11 HD1 PHE 11 -3.841 1.628 -11.533 91 HE1 PHE 11 HE2 PHE 11 -5.677 0.889 -16.037 92 HE2 PHE 11 HE1 PHE 11 -5.234 -0.350 -11.981 93 HZ PHE 11 HZ PHE 11 -6.155 -0.721 -14.235 94 H GLY 12 H GLY 12 -0.716 4.513 -12.307 95 HA2 GLY 12 HA2 GLY 12 1.005 6.258 -12.333 96 HA3 GLY 12 HA3 GLY 12 -0.053 7.181 -13.391 97 H TRP 13 H TRP 13 0.868 8.498 -11.283 98 HA TRP 13 HA TRP 13 -0.664 8.248 -8.912 99 HB2 TRP 13 HB2 TRP 13 0.506 10.876 -9.731 100 HB3 TRP 13 HB3 TRP 13 0.480 10.107 -8.147 101 HD1 TRP 13 HD1 TRP 13 2.852 10.965 -10.718 102 HE1 TRP 13 HE1 TRP 13 4.974 9.513 -10.595 103 HE3 TRP 13 HE3 TRP 13 1.115 7.248 -7.668 104 HZ2 TRP 13 HZ2 TRP 13 5.801 7.110 -9.367 105 HZ3 TRP 13 HZ3 TRP 13 2.635 5.409 -7.068 106 HH2 TRP 13 HH2 TRP 13 4.929 5.343 -7.901 107 HA PRO 14 HA PRO 14 -3.237 11.915 -10.767 108 HB2 PRO 14 HB2 PRO 14 -2.997 12.331 -13.439 109 HB3 PRO 14 HB3 PRO 14 -1.972 13.136 -12.245 110 HG2 PRO 14 HG2 PRO 14 -1.386 10.734 -13.933 111 HG3 PRO 14 HG3 PRO 14 -0.344 12.119 -13.557 112 HD2 PRO 14 HD2 PRO 14 -0.116 9.738 -12.289 113 HD3 PRO 14 HD3 PRO 14 0.234 11.283 -11.488 114 H PHE 15 H PHE 15 -2.783 8.811 -12.052 115 HA PHE 15 HA PHE 15 -5.442 8.766 -13.289 116 HB2 PHE 15 HB2 PHE 15 -3.226 7.818 -14.360 117 HB3 PHE 15 HB3 PHE 15 -3.588 6.421 -13.353 118 HD1 PHE 15 HD1 PHE 15 -5.568 5.069 -13.764 119 HD2 PHE 15 HD2 PHE 15 -4.589 8.378 -16.256 120 HE1 PHE 15 HE1 PHE 15 -7.143 4.248 -15.467 121 HE2 PHE 15 HE2 PHE 15 -6.162 7.563 -17.962 122 HZ PHE 15 HZ PHE 15 -7.443 5.496 -17.569 123 H ILE 16 H ILE 16 -3.504 7.272 -10.759 124 HA ILE 16 HA ILE 16 -5.530 5.408 -9.971 125 HB ILE 16 HB ILE 16 -3.080 5.074 -9.562 126 HG12 ILE 16 HG12 ILE 16 -3.665 4.588 -6.927 127 HG13 ILE 16 HG13 ILE 16 -5.271 4.692 -7.640 128 HG21 ILE 16 HG21 ILE 16 -2.584 7.369 -8.832 129 HG22 ILE 16 HG22 ILE 16 -3.511 7.086 -7.359 130 HG23 ILE 16 HG23 ILE 16 -2.038 6.166 -7.664 131 HD11 ILE 16 HD11 ILE 16 -3.772 2.447 -7.537 132 HD12 ILE 16 HD12 ILE 16 -5.049 2.745 -8.716 133 HD13 ILE 16 HD13 ILE 16 -3.366 3.052 -9.143 134 H LYS 17 H LYS 17 -4.665 8.672 -9.108 135 HA LYS 17 HA LYS 17 -6.222 8.750 -6.701 136 HB2 LYS 17 HB2 LYS 17 -5.670 11.065 -6.602 137 HB3 LYS 17 HB3 LYS 17 -4.242 10.228 -7.196 138 HG2 LYS 17 HG2 LYS 17 -4.735 10.918 -9.460 139 HG3 LYS 17 HG3 LYS 17 -6.234 11.681 -8.925 140 HD2 LYS 17 HD2 LYS 17 -4.513 13.360 -9.212 141 HD3 LYS 17 HD3 LYS 17 -4.918 13.206 -7.501 142 HE2 LYS 17 HE2 LYS 17 -2.950 11.754 -7.196 143 HE3 LYS 17 HE3 LYS 17 -2.538 11.981 -8.895 144 HZ1 LYS 17 HZ1 LYS 17 -1.924 14.149 -8.551 145 HZ2 LYS 17 HZ2 LYS 17 -1.442 13.456 -7.086 146 HZ3 LYS 17 HZ3 LYS 17 -2.884 14.336 -7.171 147 H LYS 18 H LYS 18 -6.908 9.005 -10.033 148 HA LYS 18 HA LYS 18 -9.228 10.667 -9.831 149 HB2 LYS 18 HB2 LYS 18 -7.982 8.984 -11.960 150 HB3 LYS 18 HB3 LYS 18 -9.659 9.479 -12.157 151 HG2 LYS 18 HG2 LYS 18 -7.539 11.492 -11.524 152 HG3 LYS 18 HG3 LYS 18 -7.796 10.933 -13.178 153 HD2 LYS 18 HD2 LYS 18 -10.092 11.672 -13.118 154 HD3 LYS 18 HD3 LYS 18 -9.943 12.106 -11.413 155 HE2 LYS 18 HE2 LYS 18 -8.284 13.803 -11.987 156 HE3 LYS 18 HE3 LYS 18 -8.404 13.357 -13.688 157 HZ1 LYS 18 HZ1 LYS 18 -10.908 14.041 -12.395 158 HZ2 LYS 18 HZ2 LYS 18 -10.331 14.459 -13.929 159 HZ3 LYS 18 HZ3 LYS 18 -9.813 15.319 -12.567 160 H PHE 19 H PHE 19 -8.566 7.302 -9.399 161 HA PHE 19 HA PHE 19 -11.391 6.856 -8.771 162 HB2 PHE 19 HB2 PHE 19 -9.728 5.252 -10.698 163 HB3 PHE 19 HB3 PHE 19 -11.092 4.527 -9.853 164 HD1 PHE 19 HD1 PHE 19 -10.123 7.221 -12.191 165 HD2 PHE 19 HD2 PHE 19 -13.300 4.903 -10.563 166 HE1 PHE 19 HE1 PHE 19 -11.650 8.121 -13.898 167 HE2 PHE 19 HE2 PHE 19 -14.832 5.798 -12.267 168 HZ PHE 19 HZ PHE 19 -14.007 7.409 -13.938 169 H TYR 20 H TYR 20 -9.008 7.266 -7.148 170 HA TYR 20 HA TYR 20 -7.964 4.879 -6.124 171 HB2 TYR 20 HB2 TYR 20 -7.231 7.333 -5.719 172 HB3 TYR 20 HB3 TYR 20 -8.405 7.308 -4.408 173 HD1 TYR 20 HD2 TYR 20 -5.867 4.854 -5.648 174 HD2 TYR 20 HD1 TYR 20 -7.352 7.122 -2.369 175 HE1 TYR 20 HE2 TYR 20 -4.195 3.810 -4.176 176 HE2 TYR 20 HE1 TYR 20 -5.684 6.086 -0.888 177 HH TYR 20 HH TYR 20 -3.308 4.979 -1.284 178 H LYS 21 H LYS 21 -10.858 6.704 -5.271 179 HA LYS 21 HA LYS 21 -11.581 5.400 -2.930 180 HB2 LYS 21 HB2 LYS 21 -13.361 6.505 -5.110 181 HB3 LYS 21 HB3 LYS 21 -13.912 6.054 -3.502 182 HG2 LYS 21 HG2 LYS 21 -11.812 8.143 -4.030 183 HG3 LYS 21 HG3 LYS 21 -13.530 8.493 -3.830 184 HD2 LYS 21 HD2 LYS 21 -13.406 7.358 -1.596 185 HD3 LYS 21 HD3 LYS 21 -11.654 7.282 -1.804 186 HE2 LYS 21 HE2 LYS 21 -13.267 9.828 -1.882 187 HE3 LYS 21 HE3 LYS 21 -12.448 9.218 -0.445 188 HZ1 LYS 21 HZ1 LYS 21 -11.109 9.903 -3.006 189 HZ2 LYS 21 HZ2 LYS 21 -10.345 9.388 -1.587 190 HZ3 LYS 21 HZ3 LYS 21 -11.132 10.885 -1.628 191 H GLN 22 H GLN 22 -12.019 4.429 -6.281 192 HA GLN 22 HA GLN 22 -13.558 2.087 -5.527 193 HB2 GLN 22 HB2 GLN 22 -13.826 3.541 -7.674 194 HB3 GLN 22 HB3 GLN 22 -12.480 2.585 -8.281 195 HG2 GLN 22 HG2 GLN 22 -13.711 0.677 -8.421 196 HG3 GLN 22 HG3 GLN 22 -14.786 1.141 -7.104 197 HE21 GLN 22 HE21 GLN 22 -16.518 0.463 -8.475 198 HE22 GLN 22 HE22 GLN 22 -17.111 1.514 -9.712 199 H ILE 23 H ILE 23 -10.350 2.860 -6.796 200 HA ILE 23 HA ILE 23 -9.445 0.246 -7.220 201 HB ILE 23 HB ILE 23 -7.838 2.675 -6.417 202 HG12 ILE 23 HG12 ILE 23 -7.905 1.620 -9.198 203 HG13 ILE 23 HG13 ILE 23 -9.330 2.484 -8.631 204 HG21 ILE 23 HG21 ILE 23 -6.556 0.683 -6.012 205 HG22 ILE 23 HG22 ILE 23 -6.980 0.038 -7.597 206 HG23 ILE 23 HG23 ILE 23 -5.948 1.462 -7.472 207 HD11 ILE 23 HD11 ILE 23 -6.751 3.497 -9.450 208 HD12 ILE 23 HD12 ILE 23 -8.289 4.338 -9.252 209 HD13 ILE 23 HD13 ILE 23 -7.228 4.100 -7.863 210 H MET 24 H MET 24 -8.692 2.367 -4.446 211 HA MET 24 HA MET 24 -7.454 0.448 -2.867 212 HB2 MET 24 HB2 MET 24 -7.702 1.948 -1.046 213 HB3 MET 24 HB3 MET 24 -7.536 2.949 -2.482 214 HG2 MET 24 HG2 MET 24 -10.162 2.853 -2.449 215 HG3 MET 24 HG3 MET 24 -9.901 2.498 -0.743 216 HE1 MET 24 HE1 MET 24 -7.808 4.189 0.533 217 HE2 MET 24 HE2 MET 24 -8.695 5.688 0.810 218 HE3 MET 24 HE3 MET 24 -9.508 4.134 0.998 219 H GLN 25 H GLN 25 -10.823 0.985 -3.495 220 HA GLN 25 HA GLN 25 -11.871 -0.398 -1.253 221 HB2 GLN 25 HB2 GLN 25 -12.908 0.672 -3.797 222 HB3 GLN 25 HB3 GLN 25 -13.803 -0.694 -3.146 223 HG2 GLN 25 HG2 GLN 25 -13.151 1.764 -1.547 224 HG3 GLN 25 HG3 GLN 25 -14.635 1.572 -2.479 225 HE21 GLN 25 HE21 GLN 25 -16.171 0.064 -1.814 226 HE22 GLN 25 HE22 GLN 25 -16.171 -0.599 -0.219 227 H PHE 26 H PHE 26 -10.678 -1.408 -4.371 228 HA PHE 26 HA PHE 26 -11.793 -4.028 -4.320 229 HB2 PHE 26 HB2 PHE 26 -9.498 -2.832 -5.877 230 HB3 PHE 26 HB3 PHE 26 -10.062 -4.484 -6.104 231 HD1 PHE 26 HD2 PHE 26 -12.956 -4.200 -5.972 232 HD2 PHE 26 HD1 PHE 26 -10.049 -1.687 -7.802 233 HE1 PHE 26 HE2 PHE 26 -14.654 -3.400 -7.562 234 HE2 PHE 26 HE1 PHE 26 -11.743 -0.882 -9.395 235 HZ PHE 26 HZ PHE 26 -14.048 -1.740 -9.277 236 H ILE 27 H ILE 27 -8.714 -2.636 -3.309 237 HA ILE 27 HA ILE 27 -7.308 -4.984 -2.782 238 HB ILE 27 HB ILE 27 -7.129 -2.399 -1.230 239 HG12 ILE 27 HG12 ILE 27 -6.869 -1.978 -3.613 240 HG13 ILE 27 HG13 ILE 27 -5.307 -1.838 -2.813 241 HG21 ILE 27 HG21 ILE 27 -5.858 -4.866 -0.836 242 HG22 ILE 27 HG22 ILE 27 -4.656 -3.810 -1.576 243 HG23 ILE 27 HG23 ILE 27 -5.463 -3.319 -0.087 244 HD11 ILE 27 HD11 ILE 27 -6.284 -3.887 -4.727 245 HD12 ILE 27 HD12 ILE 27 -4.735 -3.045 -4.659 246 HD13 ILE 27 HD13 ILE 27 -5.081 -4.350 -3.524 247 H GLY 28 H GLY 28 -9.253 -3.015 -0.527 248 HA2 GLY 28 HA2 GLY 28 -8.973 -4.680 1.705 249 HA3 GLY 28 HA3 GLY 28 -10.304 -3.565 1.436 250 H GLN 29 H GLN 29 -10.814 -5.136 -1.157 251 HA GLN 29 HA GLN 29 -12.676 -6.993 0.056 252 HB2 GLN 29 HB2 GLN 29 -13.545 -5.671 -1.736 253 HB3 GLN 29 HB3 GLN 29 -12.209 -6.112 -2.791 254 HG2 GLN 29 HG2 GLN 29 -14.200 -7.293 -3.446 255 HG3 GLN 29 HG3 GLN 29 -13.009 -8.430 -2.815 256 HE21 GLN 29 HE21 GLN 29 -16.022 -6.786 -2.179 257 HE22 GLN 29 HE22 GLN 29 -16.559 -7.841 -0.921 258 H GLY 30 H GLY 30 -9.658 -7.076 -1.677 259 HA2 GLY 30 HA2 GLY 30 -8.205 -8.976 -1.414 260 HA3 GLY 30 HA3 GLY 30 -9.629 -10.003 -1.347 261 H TRP 31 H TRP 31 -9.318 -7.459 -3.711 262 HA TRP 31 HA TRP 31 -9.595 -9.372 -5.845 263 HB2 TRP 31 HB2 TRP 31 -9.632 -6.401 -5.611 264 HB3 TRP 31 HB3 TRP 31 -9.266 -7.096 -7.188 265 HD1 TRP 31 HD1 TRP 31 -11.763 -8.887 -4.941 266 HE1 TRP 31 HE1 TRP 31 -14.109 -8.692 -5.981 267 HE3 TRP 31 HE3 TRP 31 -10.720 -5.559 -8.679 268 HZ2 TRP 31 HZ2 TRP 31 -15.353 -7.311 -8.106 269 HZ3 TRP 31 HZ3 TRP 31 -12.543 -4.852 -10.172 270 HH2 TRP 31 HH2 TRP 31 -14.811 -5.712 -9.890 271 H THR 32 H THR 32 -8.087 -10.020 -7.296 272 HA THR 32 HA THR 32 -5.358 -9.875 -6.604 273 HB THR 32 HB THR 32 -4.898 -11.112 -8.590 274 HG1 THR 32 HG1 THR 32 -6.798 -11.356 -10.114 275 HG21 THR 32 HG21 THR 32 -6.273 -12.221 -6.776 276 HG22 THR 32 HG22 THR 32 -6.355 -12.973 -8.369 277 HG23 THR 32 HG23 THR 32 -7.681 -11.957 -7.804 278 H ILE 33 H ILE 33 -3.645 -9.169 -8.214 279 HA ILE 33 HA ILE 33 -3.866 -6.377 -8.624 280 HB ILE 33 HB ILE 33 -1.803 -8.259 -9.775 281 HG12 ILE 33 HG12 ILE 33 -0.609 -6.986 -7.674 282 HG13 ILE 33 HG13 ILE 33 -2.248 -7.188 -7.066 283 HG21 ILE 33 HG21 ILE 33 -1.868 -6.058 -10.852 284 HG22 ILE 33 HG22 ILE 33 -1.688 -5.287 -9.277 285 HG23 ILE 33 HG23 ILE 33 -0.387 -6.287 -9.923 286 HD11 ILE 33 HD11 ILE 33 -1.386 -9.628 -8.264 287 HD12 ILE 33 HD12 ILE 33 -0.170 -9.072 -7.113 288 HD13 ILE 33 HD13 ILE 33 -1.839 -9.303 -6.591 289 H ASP 34 H ASP 34 -4.491 -9.132 -10.636 290 HA ASP 34 HA ASP 34 -4.486 -7.630 -13.103 291 HB2 ASP 34 HB2 ASP 34 -5.171 -10.465 -12.367 292 HB3 ASP 34 HB3 ASP 34 -5.551 -9.826 -13.964 293 H GLN 35 H GLN 35 -6.763 -8.513 -10.649 294 HA GLN 35 HA GLN 35 -9.163 -8.340 -12.063 295 HB2 GLN 35 HB2 GLN 35 -8.422 -7.847 -9.197 296 HB3 GLN 35 HB3 GLN 35 -10.062 -7.546 -9.755 297 HG2 GLN 35 HG2 GLN 35 -8.766 -10.174 -10.311 298 HG3 GLN 35 HG3 GLN 35 -9.436 -9.839 -8.715 299 HE21 GLN 35 HE21 GLN 35 -10.459 -11.881 -10.144 300 HE22 GLN 35 HE22 GLN 35 -12.041 -11.490 -10.715 301 H ILE 36 H ILE 36 -7.341 -5.803 -10.370 302 HA ILE 36 HA ILE 36 -9.165 -3.725 -11.074 303 HB ILE 36 HB ILE 36 -6.297 -3.525 -10.148 304 HG12 ILE 36 HG12 ILE 36 -7.751 -2.755 -8.028 305 HG13 ILE 36 HG13 ILE 36 -8.899 -3.874 -8.753 306 HG21 ILE 36 HG21 ILE 36 -6.527 -1.387 -10.771 307 HG22 ILE 36 HG22 ILE 36 -8.276 -1.528 -10.942 308 HG23 ILE 36 HG23 ILE 36 -7.565 -1.238 -9.354 309 HD11 ILE 36 HD11 ILE 36 -7.656 -5.685 -8.246 310 HD12 ILE 36 HD12 ILE 36 -6.126 -4.835 -8.463 311 HD13 ILE 36 HD13 ILE 36 -7.054 -4.615 -6.981 312 H GLU 37 H GLU 37 -5.903 -4.582 -12.226 313 HA GLU 37 HA GLU 37 -5.594 -2.637 -14.159 314 HB2 GLU 37 HB2 GLU 37 -4.572 -5.431 -13.872 315 HB3 GLU 37 HB3 GLU 37 -4.278 -4.570 -15.377 316 HG2 GLU 37 HG2 GLU 37 -3.607 -3.270 -12.779 317 HG3 GLU 37 HG3 GLU 37 -2.531 -4.491 -13.455 318 H LYS 38 H LYS 38 -7.529 -5.539 -14.241 319 HA LYS 38 HA LYS 38 -8.131 -5.187 -17.075 320 HB2 LYS 38 HB2 LYS 38 -7.708 -7.459 -16.153 321 HB3 LYS 38 HB3 LYS 38 -9.138 -7.286 -15.145 322 HG2 LYS 38 HG2 LYS 38 -9.736 -8.590 -17.038 323 HG3 LYS 38 HG3 LYS 38 -10.480 -7.001 -17.230 324 HD2 LYS 38 HD2 LYS 38 -8.969 -6.365 -18.894 325 HD3 LYS 38 HD3 LYS 38 -7.810 -7.620 -18.449 326 HE2 LYS 38 HE2 LYS 38 -8.909 -8.209 -20.523 327 HE3 LYS 38 HE3 LYS 38 -9.390 -9.330 -19.250 328 HZ1 LYS 38 HZ1 LYS 38 -11.377 -7.758 -18.973 329 HZ2 LYS 38 HZ2 LYS 38 -11.372 -8.812 -20.295 330 HZ3 LYS 38 HZ3 LYS 38 -10.970 -7.183 -20.511 331 H TRP 39 H TRP 39 -9.494 -4.589 -13.950 332 HA TRP 39 HA TRP 39 -12.213 -4.372 -14.731 333 HB2 TRP 39 HB2 TRP 39 -11.664 -4.677 -12.401 334 HB3 TRP 39 HB3 TRP 39 -10.705 -3.200 -12.387 335 HD1 TRP 39 HD1 TRP 39 -14.254 -4.456 -12.050 336 HE1 TRP 39 HE1 TRP 39 -15.799 -2.488 -11.446 337 HE3 TRP 39 HE3 TRP 39 -10.978 -0.600 -12.779 338 HZ2 TRP 39 HZ2 TRP 39 -15.649 0.327 -11.300 339 HZ3 TRP 39 HZ3 TRP 39 -11.758 1.701 -12.386 340 HH2 TRP 39 HH2 TRP 39 -14.046 2.152 -11.662 341 H LEU 40 H LEU 40 -9.536 -2.088 -14.579 342 HA LEU 40 HA LEU 40 -10.943 0.290 -14.946 343 HB2 LEU 40 HB2 LEU 40 -8.319 -0.403 -14.695 344 HB3 LEU 40 HB3 LEU 40 -8.390 0.115 -16.378 345 HG LEU 40 HG LEU 40 -7.701 1.982 -15.077 346 HD11 LEU 40 HD11 LEU 40 -9.896 2.028 -16.716 347 HD12 LEU 40 HD12 LEU 40 -9.037 3.443 -16.109 348 HD13 LEU 40 HD13 LEU 40 -10.475 2.859 -15.272 349 HD21 LEU 40 HD21 LEU 40 -8.323 1.389 -12.880 350 HD22 LEU 40 HD22 LEU 40 -10.031 1.283 -13.307 351 HD23 LEU 40 HD23 LEU 40 -9.229 2.854 -13.256 352 H LYS 41 H LYS 41 -9.473 -1.836 -17.395 353 HA LYS 41 HA LYS 41 -10.760 -0.347 -19.530 354 HB2 LYS 41 HB2 LYS 41 -8.831 -2.656 -19.459 355 HB3 LYS 41 HB3 LYS 41 -9.624 -2.169 -20.952 356 HG2 LYS 41 HG2 LYS 41 -8.126 -0.172 -19.306 357 HG3 LYS 41 HG3 LYS 41 -7.277 -1.250 -20.416 358 HD2 LYS 41 HD2 LYS 41 -9.650 0.229 -21.432 359 HD3 LYS 41 HD3 LYS 41 -8.152 1.128 -21.182 360 HE2 LYS 41 HE2 LYS 41 -7.850 0.447 -23.343 361 HE3 LYS 41 HE3 LYS 41 -7.111 -0.908 -22.491 362 HZ1 LYS 41 HZ1 LYS 41 -8.719 -2.303 -23.147 363 HZ2 LYS 41 HZ2 LYS 41 -9.003 -1.162 -24.362 364 HZ3 LYS 41 HZ3 LYS 41 -9.955 -1.162 -22.964 365 H ARG 42 H ARG 42 -12.733 -1.291 -18.009 366 HA ARG 42 HA ARG 42 -13.857 -3.460 -19.642 367 HB2 ARG 42 HB2 ARG 42 -13.059 -4.054 -17.207 368 HB3 ARG 42 HB3 ARG 42 -14.560 -3.266 -16.741 369 HG2 ARG 42 HG2 ARG 42 -14.576 -5.411 -18.819 370 HG3 ARG 42 HG3 ARG 42 -14.518 -5.825 -17.105 371 HD2 ARG 42 HD2 ARG 42 -16.532 -4.308 -16.822 372 HD3 ARG 42 HD3 ARG 42 -16.646 -4.298 -18.581 373 HE ARG 42 HE ARG 42 -16.527 -6.948 -17.544 374 HH11 ARG 42 HH11 ARG 42 -18.652 -4.237 -18.046 375 HH12 ARG 42 HH12 ARG 42 -20.086 -5.206 -18.113 376 HH21 ARG 42 HH21 ARG 42 -18.408 -8.235 -17.630 377 HH22 ARG 42 HH22 ARG 42 -19.946 -7.480 -17.875 378 H HIS 43 H HIS 43 -14.510 -0.781 -17.419 379 HA HIS 43 HA HIS 43 -17.273 -0.613 -18.294 380 HB2 HIS 43 HB2 HIS 43 -16.569 -0.213 -15.911 381 HB3 HIS 43 HB3 HIS 43 -15.779 1.264 -16.454 382 HD1 HIS 43 HD1 HIS 43 -19.117 -0.192 -15.709 383 HD2 HIS 43 HD2 HIS 43 -17.535 3.355 -17.185 384 HE1 HIS 43 HE1 HIS 43 -21.009 1.465 -15.649 Start of MODEL 3 1 HCN FME 1 HF FME 1 3.700 1.455 -2.189 2 HA FME 1 HA FME 1 2.928 -1.649 -0.560 3 HB2 FME 1 HB2 FME 1 2.534 -0.228 2.109 4 HB3 FME 1 HB3 FME 1 4.098 -0.256 1.221 5 HG2 FME 1 HG2 FME 1 2.680 -2.929 1.641 6 HG3 FME 1 HG3 FME 1 3.465 -2.161 3.067 7 HE1 FME 1 HE8 FME 1 5.470 -4.822 0.182 8 HE2 FME 1 HE2 FME 1 3.894 -4.072 -0.300 9 HE3 FME 1 HE3 FME 1 4.047 -4.928 1.296 10 H GLY 2 H GLY 2 0.955 -1.512 -1.933 11 HA2 GLY 2 HA2 GLY 2 -1.041 -2.963 -0.514 12 HA3 GLY 2 HA3 GLY 2 -1.615 -1.353 -0.922 13 H ALA 3 H ALA 3 0.566 -3.330 -2.861 14 HA ALA 3 HA ALA 3 0.430 -4.027 -5.028 15 HB1 ALA 3 HB1 ALA 3 -2.228 -4.786 -3.884 16 HB2 ALA 3 HB2 ALA 3 -1.861 -5.101 -5.580 17 HB3 ALA 3 HB3 ALA 3 -0.861 -5.813 -4.314 18 H ILE 4 H ILE 4 -0.129 -1.225 -4.532 19 HA ILE 4 HA ILE 4 -2.193 -0.560 -6.487 20 HB ILE 4 HB ILE 4 -0.498 1.331 -4.857 21 HG12 ILE 4 HG12 ILE 4 -1.818 -0.155 -3.401 22 HG13 ILE 4 HG13 ILE 4 -2.407 1.502 -3.337 23 HG21 ILE 4 HG21 ILE 4 -2.337 1.717 -6.991 24 HG22 ILE 4 HG22 ILE 4 -3.046 2.373 -5.517 25 HG23 ILE 4 HG23 ILE 4 -1.462 2.929 -6.055 26 HD11 ILE 4 HD11 ILE 4 -3.633 -0.701 -4.977 27 HD12 ILE 4 HD12 ILE 4 -4.214 -0.155 -3.403 28 HD13 ILE 4 HD13 ILE 4 -4.249 0.940 -4.786 29 H ALA 5 H ALA 5 1.248 -0.715 -6.163 30 HA ALA 5 HA ALA 5 1.993 1.059 -8.222 31 HB1 ALA 5 HB1 ALA 5 3.785 -1.198 -7.979 32 HB2 ALA 5 HB2 ALA 5 4.055 0.503 -7.598 33 HB3 ALA 5 HB3 ALA 5 3.318 -0.562 -6.401 34 H LYS 6 H LYS 6 0.908 -2.263 -8.241 35 HA LYS 6 HA LYS 6 1.720 -2.880 -10.893 36 HB2 LYS 6 HB2 LYS 6 -0.363 -4.095 -9.076 37 HB3 LYS 6 HB3 LYS 6 0.021 -4.741 -10.667 38 HG2 LYS 6 HG2 LYS 6 1.327 -6.051 -9.315 39 HG3 LYS 6 HG3 LYS 6 2.462 -4.774 -9.756 40 HD2 LYS 6 HD2 LYS 6 2.134 -3.666 -7.662 41 HD3 LYS 6 HD3 LYS 6 0.798 -4.741 -7.242 42 HE2 LYS 6 HE2 LYS 6 2.263 -6.598 -7.002 43 HE3 LYS 6 HE3 LYS 6 3.608 -5.712 -7.717 44 HZ1 LYS 6 HZ1 LYS 6 2.927 -4.151 -5.631 45 HZ2 LYS 6 HZ2 LYS 6 4.164 -5.303 -5.608 46 HZ3 LYS 6 HZ3 LYS 6 2.633 -5.695 -5.006 47 H LEU 7 H LEU 7 -1.198 -1.509 -9.484 48 HA LEU 7 HA LEU 7 -2.638 -1.541 -11.981 49 HB2 LEU 7 HB2 LEU 7 -3.409 0.109 -9.608 50 HB3 LEU 7 HB3 LEU 7 -4.443 -0.663 -10.808 51 HG LEU 7 HG LEU 7 -2.868 -2.167 -8.723 52 HD11 LEU 7 HD11 LEU 7 -5.179 -2.488 -7.714 53 HD12 LEU 7 HD12 LEU 7 -5.681 -1.115 -8.700 54 HD13 LEU 7 HD13 LEU 7 -4.419 -0.913 -7.485 55 HD21 LEU 7 HD21 LEU 7 -4.904 -3.766 -9.433 56 HD22 LEU 7 HD22 LEU 7 -3.325 -3.798 -10.219 57 HD23 LEU 7 HD23 LEU 7 -4.658 -2.905 -10.952 58 H VAL 8 H VAL 8 -1.145 0.940 -9.920 59 HA VAL 8 HA VAL 8 -1.751 3.139 -11.571 60 HB VAL 8 HB VAL 8 0.544 2.800 -9.635 61 HG11 VAL 8 HG11 VAL 8 1.278 4.731 -10.468 62 HG12 VAL 8 HG12 VAL 8 -0.183 4.958 -11.431 63 HG13 VAL 8 HG13 VAL 8 -0.147 5.476 -9.745 64 HG21 VAL 8 HG21 VAL 8 -0.861 3.272 -7.952 65 HG22 VAL 8 HG22 VAL 8 -1.728 4.488 -8.890 66 HG23 VAL 8 HG23 VAL 8 -2.130 2.780 -9.073 67 H ALA 9 H ALA 9 0.726 0.714 -11.728 68 HA ALA 9 HA ALA 9 2.663 2.003 -13.258 69 HB1 ALA 9 HB1 ALA 9 1.923 -0.775 -12.682 70 HB2 ALA 9 HB2 ALA 9 2.775 -0.542 -14.209 71 HB3 ALA 9 HB3 ALA 9 3.507 0.001 -12.699 72 H LYS 10 H LYS 10 -0.492 0.901 -14.124 73 HA LYS 10 HA LYS 10 0.089 1.428 -16.964 74 HB2 LYS 10 HB2 LYS 10 -2.204 -0.187 -15.841 75 HB3 LYS 10 HB3 LYS 10 -1.764 -0.015 -17.535 76 HG2 LYS 10 HG2 LYS 10 0.535 -1.001 -16.603 77 HG3 LYS 10 HG3 LYS 10 -0.575 -1.705 -15.425 78 HD2 LYS 10 HD2 LYS 10 -1.246 -1.876 -18.326 79 HD3 LYS 10 HD3 LYS 10 -0.013 -2.955 -17.669 80 HE2 LYS 10 HE2 LYS 10 -2.611 -2.692 -16.233 81 HE3 LYS 10 HE3 LYS 10 -2.552 -3.649 -17.713 82 HZ1 LYS 10 HZ1 LYS 10 -0.981 -4.077 -15.234 83 HZ2 LYS 10 HZ2 LYS 10 -0.674 -4.892 -16.683 84 HZ3 LYS 10 HZ3 LYS 10 -2.156 -5.098 -15.895 85 H PHE 11 H PHE 11 -1.978 2.158 -14.248 86 HA PHE 11 HA PHE 11 -3.775 3.800 -15.809 87 HB2 PHE 11 HB2 PHE 11 -3.525 3.402 -12.821 88 HB3 PHE 11 HB3 PHE 11 -4.794 4.336 -13.607 89 HD1 PHE 11 HD2 PHE 11 -5.461 2.641 -15.901 90 HD2 PHE 11 HD1 PHE 11 -4.602 1.592 -11.867 91 HE1 PHE 11 HE2 PHE 11 -6.809 0.599 -16.149 92 HE2 PHE 11 HE1 PHE 11 -5.948 -0.453 -12.108 93 HZ PHE 11 HZ PHE 11 -7.055 -0.951 -14.251 94 H GLY 12 H GLY 12 -1.689 4.495 -12.993 95 HA2 GLY 12 HA2 GLY 12 0.005 6.251 -13.192 96 HA3 GLY 12 HA3 GLY 12 -1.126 7.126 -14.213 97 H TRP 13 H TRP 13 -0.104 8.549 -12.240 98 HA TRP 13 HA TRP 13 -1.461 8.375 -9.757 99 HB2 TRP 13 HB2 TRP 13 -0.400 10.983 -10.765 100 HB3 TRP 13 HB3 TRP 13 -0.301 10.282 -9.152 101 HD1 TRP 13 HD1 TRP 13 1.871 11.071 -11.914 102 HE1 TRP 13 HE1 TRP 13 4.023 9.659 -11.882 103 HE3 TRP 13 HE3 TRP 13 0.418 7.453 -8.607 104 HZ2 TRP 13 HZ2 TRP 13 4.978 7.321 -10.622 105 HZ3 TRP 13 HZ3 TRP 13 2.010 5.664 -8.042 106 HH2 TRP 13 HH2 TRP 13 4.242 5.601 -9.030 107 HA PRO 14 HA PRO 14 -4.225 11.916 -11.579 108 HB2 PRO 14 HB2 PRO 14 -4.177 12.222 -14.277 109 HB3 PRO 14 HB3 PRO 14 -3.088 13.094 -13.192 110 HG2 PRO 14 HG2 PRO 14 -2.574 10.631 -14.814 111 HG3 PRO 14 HG3 PRO 14 -1.535 12.047 -14.571 112 HD2 PRO 14 HD2 PRO 14 -1.175 9.727 -13.223 113 HD3 PRO 14 HD3 PRO 14 -0.800 11.310 -12.514 114 H PHE 15 H PHE 15 -3.802 8.768 -12.760 115 HA PHE 15 HA PHE 15 -6.543 8.628 -13.798 116 HB2 PHE 15 HB2 PHE 15 -4.375 7.677 -14.985 117 HB3 PHE 15 HB3 PHE 15 -4.670 6.305 -13.921 118 HD1 PHE 15 HD1 PHE 15 -6.758 5.013 -14.119 119 HD2 PHE 15 HD2 PHE 15 -5.760 8.108 -16.865 120 HE1 PHE 15 HE1 PHE 15 -8.430 4.143 -15.701 121 HE2 PHE 15 HE2 PHE 15 -7.430 7.244 -18.451 122 HZ PHE 15 HZ PHE 15 -8.768 5.260 -17.870 123 H ILE 16 H ILE 16 -4.383 7.245 -11.384 124 HA ILE 16 HA ILE 16 -6.318 5.390 -10.373 125 HB ILE 16 HB ILE 16 -3.842 5.079 -10.163 126 HG12 ILE 16 HG12 ILE 16 -4.205 4.694 -7.465 127 HG13 ILE 16 HG13 ILE 16 -5.861 4.744 -8.060 128 HG21 ILE 16 HG21 ILE 16 -3.405 7.462 -9.521 129 HG22 ILE 16 HG22 ILE 16 -4.039 7.078 -7.922 130 HG23 ILE 16 HG23 ILE 16 -2.594 6.261 -8.516 131 HD11 ILE 16 HD11 ILE 16 -4.030 3.072 -9.625 132 HD12 ILE 16 HD12 ILE 16 -4.335 2.526 -7.975 133 HD13 ILE 16 HD13 ILE 16 -5.682 2.764 -9.088 134 H LYS 17 H LYS 17 -5.407 8.683 -9.681 135 HA LYS 17 HA LYS 17 -6.703 8.848 -7.143 136 HB2 LYS 17 HB2 LYS 17 -6.240 11.177 -7.227 137 HB3 LYS 17 HB3 LYS 17 -4.866 10.372 -7.973 138 HG2 LYS 17 HG2 LYS 17 -5.803 10.883 -10.192 139 HG3 LYS 17 HG3 LYS 17 -7.126 11.751 -9.409 140 HD2 LYS 17 HD2 LYS 17 -4.199 12.423 -9.109 141 HD3 LYS 17 HD3 LYS 17 -5.318 13.245 -10.199 142 HE2 LYS 17 HE2 LYS 17 -5.495 14.651 -8.428 143 HE3 LYS 17 HE3 LYS 17 -6.708 13.471 -7.934 144 HZ1 LYS 17 HZ1 LYS 17 -5.445 12.755 -6.242 145 HZ2 LYS 17 HZ2 LYS 17 -4.677 14.254 -6.393 146 HZ3 LYS 17 HZ3 LYS 17 -3.995 12.879 -7.106 147 H LYS 18 H LYS 18 -7.784 8.925 -10.389 148 HA LYS 18 HA LYS 18 -10.093 10.529 -10.092 149 HB2 LYS 18 HB2 LYS 18 -8.832 9.281 -12.192 150 HB3 LYS 18 HB3 LYS 18 -10.307 8.336 -12.027 151 HG2 LYS 18 HG2 LYS 18 -10.277 11.335 -12.248 152 HG3 LYS 18 HG3 LYS 18 -10.433 10.250 -13.632 153 HD2 LYS 18 HD2 LYS 18 -12.628 10.220 -13.267 154 HD3 LYS 18 HD3 LYS 18 -12.311 9.351 -11.764 155 HE2 LYS 18 HE2 LYS 18 -13.434 11.116 -10.888 156 HE3 LYS 18 HE3 LYS 18 -11.824 11.833 -10.916 157 HZ1 LYS 18 HZ1 LYS 18 -12.357 13.196 -12.634 158 HZ2 LYS 18 HZ2 LYS 18 -13.895 13.054 -11.945 159 HZ3 LYS 18 HZ3 LYS 18 -13.488 12.130 -13.302 160 H PHE 19 H PHE 19 -9.416 7.160 -9.445 161 HA PHE 19 HA PHE 19 -12.003 6.933 -8.112 162 HB2 PHE 19 HB2 PHE 19 -11.019 4.897 -10.123 163 HB3 PHE 19 HB3 PHE 19 -12.473 4.757 -9.141 164 HD1 PHE 19 HD2 PHE 19 -14.319 6.452 -9.483 165 HD2 PHE 19 HD1 PHE 19 -11.057 6.000 -12.179 166 HE1 PHE 19 HE2 PHE 19 -15.612 7.599 -11.233 167 HE2 PHE 19 HE1 PHE 19 -12.344 7.147 -13.934 168 HZ PHE 19 HZ PHE 19 -14.625 7.947 -13.463 169 H TYR 20 H TYR 20 -9.455 7.260 -6.995 170 HA TYR 20 HA TYR 20 -8.165 4.872 -6.288 171 HB2 TYR 20 HB2 TYR 20 -7.131 7.066 -5.969 172 HB3 TYR 20 HB3 TYR 20 -8.339 7.476 -4.757 173 HD1 TYR 20 HD1 TYR 20 -5.596 5.070 -5.484 174 HD2 TYR 20 HD2 TYR 20 -7.975 6.959 -2.505 175 HE1 TYR 20 HE1 TYR 20 -4.155 4.113 -3.736 176 HE2 TYR 20 HE2 TYR 20 -6.540 6.009 -0.748 177 HH TYR 20 HH TYR 20 -4.925 4.480 -0.317 178 H LYS 21 H LYS 21 -10.811 6.642 -4.751 179 HA LYS 21 HA LYS 21 -11.010 5.172 -2.392 180 HB2 LYS 21 HB2 LYS 21 -12.234 7.291 -2.915 181 HB3 LYS 21 HB3 LYS 21 -13.307 6.364 -3.955 182 HG2 LYS 21 HG2 LYS 21 -14.259 5.221 -2.154 183 HG3 LYS 21 HG3 LYS 21 -12.944 5.665 -1.064 184 HD2 LYS 21 HD2 LYS 21 -14.560 7.135 -0.372 185 HD3 LYS 21 HD3 LYS 21 -13.764 8.108 -1.610 186 HE2 LYS 21 HE2 LYS 21 -16.015 8.363 -2.114 187 HE3 LYS 21 HE3 LYS 21 -15.508 7.081 -3.213 188 HZ1 LYS 21 HZ1 LYS 21 -17.502 7.006 -1.227 189 HZ2 LYS 21 HZ2 LYS 21 -16.313 5.865 -0.847 190 HZ3 LYS 21 HZ3 LYS 21 -17.085 5.813 -2.351 191 H GLN 22 H GLN 22 -11.906 4.351 -5.633 192 HA GLN 22 HA GLN 22 -13.494 2.065 -4.755 193 HB2 GLN 22 HB2 GLN 22 -14.326 3.414 -6.632 194 HB3 GLN 22 HB3 GLN 22 -12.862 3.061 -7.539 195 HG2 GLN 22 HG2 GLN 22 -14.639 1.665 -8.331 196 HG3 GLN 22 HG3 GLN 22 -13.448 0.669 -7.497 197 HE21 GLN 22 HE21 GLN 22 -16.669 1.931 -7.451 198 HE22 GLN 22 HE22 GLN 22 -17.256 0.960 -6.148 199 H ILE 23 H ILE 23 -10.440 2.817 -6.328 200 HA ILE 23 HA ILE 23 -9.768 0.136 -6.994 201 HB ILE 23 HB ILE 23 -7.960 2.525 -6.608 202 HG12 ILE 23 HG12 ILE 23 -8.560 1.467 -9.304 203 HG13 ILE 23 HG13 ILE 23 -9.902 2.256 -8.482 204 HG21 ILE 23 HG21 ILE 23 -6.662 0.522 -6.435 205 HG22 ILE 23 HG22 ILE 23 -7.454 -0.173 -7.849 206 HG23 ILE 23 HG23 ILE 23 -6.385 1.218 -8.032 207 HD11 ILE 23 HD11 ILE 23 -7.503 3.394 -9.680 208 HD12 ILE 23 HD12 ILE 23 -9.073 4.130 -9.352 209 HD13 ILE 23 HD13 ILE 23 -7.864 4.021 -8.072 210 H MET 24 H MET 24 -8.435 2.294 -4.479 211 HA MET 24 HA MET 24 -6.926 0.383 -3.143 212 HB2 MET 24 HB2 MET 24 -6.812 1.916 -1.320 213 HB3 MET 24 HB3 MET 24 -6.864 2.875 -2.793 214 HG2 MET 24 HG2 MET 24 -8.459 4.037 -1.770 215 HG3 MET 24 HG3 MET 24 -9.507 2.674 -2.154 216 HE1 MET 24 HE1 MET 24 -10.258 4.167 1.428 217 HE2 MET 24 HE2 MET 24 -8.695 4.890 1.046 218 HE3 MET 24 HE3 MET 24 -9.951 4.802 -0.189 219 H GLN 25 H GLN 25 -10.344 0.947 -3.110 220 HA GLN 25 HA GLN 25 -10.931 -0.379 -0.667 221 HB2 GLN 25 HB2 GLN 25 -12.438 0.734 -2.927 222 HB3 GLN 25 HB3 GLN 25 -13.206 -0.656 -2.172 223 HG2 GLN 25 HG2 GLN 25 -12.285 1.794 -0.689 224 HG3 GLN 25 HG3 GLN 25 -13.933 1.520 -1.250 225 HE21 GLN 25 HE21 GLN 25 -14.344 1.824 1.084 226 HE22 GLN 25 HE22 GLN 25 -14.264 0.436 2.109 227 H PHE 26 H PHE 26 -10.284 -1.455 -3.894 228 HA PHE 26 HA PHE 26 -11.466 -4.043 -3.627 229 HB2 PHE 26 HB2 PHE 26 -9.481 -2.884 -5.582 230 HB3 PHE 26 HB3 PHE 26 -10.043 -4.550 -5.673 231 HD1 PHE 26 HD1 PHE 26 -12.865 -4.356 -5.082 232 HD2 PHE 26 HD2 PHE 26 -10.393 -1.750 -7.365 233 HE1 PHE 26 HE1 PHE 26 -14.831 -3.622 -6.367 234 HE2 PHE 26 HE2 PHE 26 -12.354 -1.011 -8.653 235 HZ PHE 26 HZ PHE 26 -14.577 -1.947 -8.154 236 H ILE 27 H ILE 27 -8.203 -2.738 -3.252 237 HA ILE 27 HA ILE 27 -6.809 -5.125 -2.914 238 HB ILE 27 HB ILE 27 -6.265 -2.478 -1.563 239 HG12 ILE 27 HG12 ILE 27 -6.361 -2.240 -3.983 240 HG13 ILE 27 HG13 ILE 27 -4.690 -2.125 -3.442 241 HG21 ILE 27 HG21 ILE 27 -5.023 -5.005 -1.255 242 HG22 ILE 27 HG22 ILE 27 -3.911 -3.962 -2.140 243 HG23 ILE 27 HG23 ILE 27 -4.537 -3.454 -0.571 244 HD11 ILE 27 HD11 ILE 27 -4.957 -4.794 -3.978 245 HD12 ILE 27 HD12 ILE 27 -5.954 -4.042 -5.225 246 HD13 ILE 27 HD13 ILE 27 -4.258 -3.588 -5.058 247 H GLY 28 H GLY 28 -8.307 -3.044 -0.437 248 HA2 GLY 28 HA2 GLY 28 -7.638 -4.649 1.773 249 HA3 GLY 28 HA3 GLY 28 -8.953 -3.485 1.720 250 H GLN 29 H GLN 29 -10.002 -5.095 -0.678 251 HA GLN 29 HA GLN 29 -11.698 -6.811 0.909 252 HB2 GLN 29 HB2 GLN 29 -12.784 -5.541 -0.799 253 HB3 GLN 29 HB3 GLN 29 -11.654 -6.104 -2.023 254 HG2 GLN 29 HG2 GLN 29 -13.767 -7.216 -2.292 255 HG3 GLN 29 HG3 GLN 29 -12.546 -8.378 -1.775 256 HE21 GLN 29 HE21 GLN 29 -15.144 -6.314 -0.568 257 HE22 GLN 29 HE22 GLN 29 -15.608 -7.353 0.731 258 H GLY 30 H GLY 30 -8.984 -7.138 -1.237 259 HA2 GLY 30 HA2 GLY 30 -7.618 -9.134 -1.008 260 HA3 GLY 30 HA3 GLY 30 -9.101 -10.059 -0.831 261 H TRP 31 H TRP 31 -9.085 -7.584 -3.214 262 HA TRP 31 HA TRP 31 -9.477 -9.509 -5.304 263 HB2 TRP 31 HB2 TRP 31 -9.559 -6.539 -5.081 264 HB3 TRP 31 HB3 TRP 31 -9.320 -7.232 -6.682 265 HD1 TRP 31 HD1 TRP 31 -11.567 -9.047 -4.195 266 HE1 TRP 31 HE1 TRP 31 -13.999 -8.921 -5.027 267 HE3 TRP 31 HE3 TRP 31 -10.931 -5.770 -8.067 268 HZ2 TRP 31 HZ2 TRP 31 -15.456 -7.607 -7.057 269 HZ3 TRP 31 HZ3 TRP 31 -12.894 -5.131 -9.405 270 HH2 TRP 31 HH2 TRP 31 -15.109 -6.031 -8.909 271 H THR 32 H THR 32 -8.111 -10.111 -6.916 272 HA THR 32 HA THR 32 -5.326 -9.907 -6.480 273 HB THR 32 HB THR 32 -5.148 -10.917 -8.797 274 HG1 THR 32 HG1 THR 32 -7.932 -11.324 -8.669 275 HG21 THR 32 HG21 THR 32 -6.020 -12.032 -6.365 276 HG22 THR 32 HG22 THR 32 -5.242 -12.861 -7.713 277 HG23 THR 32 HG23 THR 32 -7.001 -12.772 -7.629 278 H ILE 33 H ILE 33 -3.943 -9.350 -8.599 279 HA ILE 33 HA ILE 33 -4.141 -6.512 -8.872 280 HB ILE 33 HB ILE 33 -2.337 -8.454 -10.319 281 HG12 ILE 33 HG12 ILE 33 -0.737 -7.171 -8.568 282 HG13 ILE 33 HG13 ILE 33 -2.242 -7.151 -7.656 283 HG21 ILE 33 HG21 ILE 33 -2.554 -6.335 -11.503 284 HG22 ILE 33 HG22 ILE 33 -2.148 -5.459 -10.028 285 HG23 ILE 33 HG23 ILE 33 -0.948 -6.499 -10.795 286 HD11 ILE 33 HD11 ILE 33 -2.022 -9.284 -7.107 287 HD12 ILE 33 HD12 ILE 33 -1.728 -9.757 -8.781 288 HD13 ILE 33 HD13 ILE 33 -0.391 -9.203 -7.773 289 H ASP 34 H ASP 34 -4.665 -9.264 -11.039 290 HA ASP 34 HA ASP 34 -5.221 -7.723 -13.349 291 HB2 ASP 34 HB2 ASP 34 -6.038 -9.782 -14.321 292 HB3 ASP 34 HB3 ASP 34 -4.587 -10.130 -13.385 293 H GLN 35 H GLN 35 -7.112 -8.660 -10.602 294 HA GLN 35 HA GLN 35 -9.695 -8.524 -11.601 295 HB2 GLN 35 HB2 GLN 35 -8.451 -8.076 -8.939 296 HB3 GLN 35 HB3 GLN 35 -10.099 -7.506 -9.163 297 HG2 GLN 35 HG2 GLN 35 -9.441 -10.278 -9.999 298 HG3 GLN 35 HG3 GLN 35 -9.579 -9.926 -8.278 299 HE21 GLN 35 HE21 GLN 35 -11.443 -10.954 -7.827 300 HE22 GLN 35 HE22 GLN 35 -12.970 -10.563 -8.533 301 H ILE 36 H ILE 36 -7.748 -5.886 -10.210 302 HA ILE 36 HA ILE 36 -9.692 -3.884 -10.823 303 HB ILE 36 HB ILE 36 -6.769 -3.569 -10.127 304 HG12 ILE 36 HG12 ILE 36 -8.074 -2.785 -7.920 305 HG13 ILE 36 HG13 ILE 36 -9.244 -3.953 -8.523 306 HG21 ILE 36 HG21 ILE 36 -7.056 -1.427 -10.646 307 HG22 ILE 36 HG22 ILE 36 -8.776 -1.671 -10.945 308 HG23 ILE 36 HG23 ILE 36 -8.205 -1.321 -9.313 309 HD11 ILE 36 HD11 ILE 36 -8.043 -5.606 -7.693 310 HD12 ILE 36 HD12 ILE 36 -6.648 -5.109 -8.651 311 HD13 ILE 36 HD13 ILE 36 -6.901 -4.431 -7.043 312 H GLU 37 H GLU 37 -6.531 -4.741 -12.220 313 HA GLU 37 HA GLU 37 -6.387 -2.835 -14.210 314 HB2 GLU 37 HB2 GLU 37 -5.473 -5.715 -14.320 315 HB3 GLU 37 HB3 GLU 37 -4.972 -4.460 -15.445 316 HG2 GLU 37 HG2 GLU 37 -4.538 -4.189 -12.493 317 HG3 GLU 37 HG3 GLU 37 -3.399 -5.050 -13.527 318 H LYS 38 H LYS 38 -8.340 -5.717 -14.058 319 HA LYS 38 HA LYS 38 -9.186 -5.408 -16.838 320 HB2 LYS 38 HB2 LYS 38 -8.645 -7.668 -15.910 321 HB3 LYS 38 HB3 LYS 38 -10.021 -7.504 -14.827 322 HG2 LYS 38 HG2 LYS 38 -10.846 -8.779 -16.580 323 HG3 LYS 38 HG3 LYS 38 -11.405 -7.147 -16.957 324 HD2 LYS 38 HD2 LYS 38 -10.579 -7.898 -18.995 325 HD3 LYS 38 HD3 LYS 38 -9.226 -6.973 -18.339 326 HE2 LYS 38 HE2 LYS 38 -7.988 -8.861 -17.876 327 HE3 LYS 38 HE3 LYS 38 -9.411 -9.895 -17.766 328 HZ1 LYS 38 HZ1 LYS 38 -9.090 -8.774 -20.374 329 HZ2 LYS 38 HZ2 LYS 38 -9.274 -10.391 -19.913 330 HZ3 LYS 38 HZ3 LYS 38 -7.739 -9.681 -19.911 331 H TRP 39 H TRP 39 -10.293 -4.878 -13.588 332 HA TRP 39 HA TRP 39 -13.063 -4.642 -14.174 333 HB2 TRP 39 HB2 TRP 39 -12.375 -5.055 -11.903 334 HB3 TRP 39 HB3 TRP 39 -11.397 -3.591 -11.882 335 HD1 TRP 39 HD1 TRP 39 -14.960 -4.812 -11.444 336 HE1 TRP 39 HE1 TRP 39 -16.424 -2.862 -10.620 337 HE3 TRP 39 HE3 TRP 39 -11.621 -0.986 -12.032 338 HZ2 TRP 39 HZ2 TRP 39 -16.195 -0.071 -10.267 339 HZ3 TRP 39 HZ3 TRP 39 -12.322 1.294 -11.428 340 HH2 TRP 39 HH2 TRP 39 -14.562 1.740 -10.565 341 H LEU 40 H LEU 40 -10.363 -2.400 -14.188 342 HA LEU 40 HA LEU 40 -12.139 -0.161 -14.791 343 HB2 LEU 40 HB2 LEU 40 -10.447 0.329 -13.189 344 HB3 LEU 40 HB3 LEU 40 -9.189 -0.346 -14.224 345 HG LEU 40 HG LEU 40 -9.351 1.514 -15.733 346 HD11 LEU 40 HD11 LEU 40 -11.778 1.840 -15.603 347 HD12 LEU 40 HD12 LEU 40 -10.897 3.352 -15.388 348 HD13 LEU 40 HD13 LEU 40 -11.593 2.530 -13.991 349 HD21 LEU 40 HD21 LEU 40 -7.988 2.644 -14.400 350 HD22 LEU 40 HD22 LEU 40 -8.593 1.728 -13.019 351 HD23 LEU 40 HD23 LEU 40 -9.360 3.251 -13.473 352 H LYS 41 H LYS 41 -9.583 -2.098 -16.249 353 HA LYS 41 HA LYS 41 -8.790 -2.250 -18.380 354 HB2 LYS 41 HB2 LYS 41 -11.717 -1.729 -18.714 355 HB3 LYS 41 HB3 LYS 41 -10.690 -1.786 -20.141 356 HG2 LYS 41 HG2 LYS 41 -10.465 -4.011 -18.195 357 HG3 LYS 41 HG3 LYS 41 -11.916 -3.930 -19.197 358 HD2 LYS 41 HD2 LYS 41 -9.195 -3.677 -20.426 359 HD3 LYS 41 HD3 LYS 41 -9.867 -5.265 -20.051 360 HE2 LYS 41 HE2 LYS 41 -11.572 -3.339 -21.539 361 HE3 LYS 41 HE3 LYS 41 -10.238 -4.101 -22.403 362 HZ1 LYS 41 HZ1 LYS 41 -12.726 -5.171 -21.943 363 HZ2 LYS 41 HZ2 LYS 41 -11.703 -6.007 -20.886 364 HZ3 LYS 41 HZ3 LYS 41 -11.371 -5.987 -22.544 365 H ARG 42 H ARG 42 -8.524 0.332 -17.040 366 HA ARG 42 HA ARG 42 -7.838 2.457 -17.475 367 HB2 ARG 42 HB2 ARG 42 -7.300 1.094 -20.101 368 HB3 ARG 42 HB3 ARG 42 -6.957 2.805 -19.880 369 HG2 ARG 42 HG2 ARG 42 -5.507 2.202 -17.952 370 HG3 ARG 42 HG3 ARG 42 -5.765 0.503 -18.353 371 HD2 ARG 42 HD2 ARG 42 -4.794 2.388 -20.456 372 HD3 ARG 42 HD3 ARG 42 -3.663 1.771 -19.252 373 HE ARG 42 HE ARG 42 -5.160 -0.338 -20.422 374 HH11 ARG 42 HH11 ARG 42 -2.519 1.847 -21.029 375 HH12 ARG 42 HH12 ARG 42 -1.724 0.784 -22.143 376 HH21 ARG 42 HH21 ARG 42 -4.124 -1.746 -21.887 377 HH22 ARG 42 HH22 ARG 42 -2.639 -1.259 -22.631 378 H HIS 43 H HIS 43 -10.548 2.206 -17.450 379 HA HIS 43 HA HIS 43 -12.005 3.004 -19.655 380 HB2 HIS 43 HB2 HIS 43 -13.017 2.322 -17.516 381 HB3 HIS 43 HB3 HIS 43 -12.461 3.821 -16.777 382 HD1 HIS 43 HD1 HIS 43 -14.674 2.786 -19.698 383 HD2 HIS 43 HD2 HIS 43 -14.327 5.773 -16.831 384 HE1 HIS 43 HE1 HIS 43 -16.684 4.263 -20.020 Start of MODEL 4 1 HCN FME 1 HF FME 1 -3.434 -2.371 0.395 2 HA FME 1 HA FME 1 -0.424 -0.211 0.533 3 HB2 FME 1 HB2 FME 1 1.167 -0.270 2.620 4 HB3 FME 1 HB3 FME 1 -0.285 -0.914 3.463 5 HG2 FME 1 HG2 FME 1 -0.355 1.711 1.827 6 HG3 FME 1 HG3 FME 1 0.051 1.663 3.581 7 HE1 FME 1 HE8 FME 1 -3.082 0.193 5.296 8 HE2 FME 1 HE2 FME 1 -1.827 1.478 5.529 9 HE3 FME 1 HE3 FME 1 -1.333 -0.204 5.048 10 H GLY 2 H GLY 2 0.254 -1.301 -1.097 11 HA2 GLY 2 HA2 GLY 2 2.639 -2.361 -1.327 12 HA3 GLY 2 HA3 GLY 2 1.805 -3.745 -0.636 13 H ALA 3 H ALA 3 -0.689 -2.903 -2.116 14 HA ALA 3 HA ALA 3 0.090 -4.061 -4.707 15 HB1 ALA 3 HB1 ALA 3 -2.722 -3.998 -3.680 16 HB2 ALA 3 HB2 ALA 3 -1.984 -5.100 -4.843 17 HB3 ALA 3 HB3 ALA 3 -1.584 -5.228 -3.130 18 H ILE 4 H ILE 4 0.478 -1.321 -4.321 19 HA ILE 4 HA ILE 4 -1.740 -0.077 -5.794 20 HB ILE 4 HB ILE 4 0.555 1.335 -4.439 21 HG12 ILE 4 HG12 ILE 4 -0.784 0.045 -2.806 22 HG13 ILE 4 HG13 ILE 4 -0.959 1.782 -2.584 23 HG21 ILE 4 HG21 ILE 4 -1.539 2.183 -6.180 24 HG22 ILE 4 HG22 ILE 4 -1.781 2.908 -4.592 25 HG23 ILE 4 HG23 ILE 4 -0.255 3.140 -5.443 26 HD11 ILE 4 HD11 ILE 4 -2.927 0.047 -4.052 27 HD12 ILE 4 HD12 ILE 4 -3.074 0.533 -2.363 28 HD13 ILE 4 HD13 ILE 4 -3.112 1.751 -3.637 29 H ALA 5 H ALA 5 1.813 -0.249 -5.747 30 HA ALA 5 HA ALA 5 2.278 1.138 -8.130 31 HB1 ALA 5 HB1 ALA 5 3.974 -1.125 -7.101 32 HB2 ALA 5 HB2 ALA 5 4.481 0.261 -8.067 33 HB3 ALA 5 HB3 ALA 5 3.979 0.490 -6.392 34 H LYS 6 H LYS 6 1.161 -2.088 -7.562 35 HA LYS 6 HA LYS 6 1.888 -3.315 -9.973 36 HB2 LYS 6 HB2 LYS 6 -0.668 -3.850 -8.461 37 HB3 LYS 6 HB3 LYS 6 0.237 -4.968 -9.473 38 HG2 LYS 6 HG2 LYS 6 2.138 -4.631 -7.772 39 HG3 LYS 6 HG3 LYS 6 0.877 -3.976 -6.725 40 HD2 LYS 6 HD2 LYS 6 -0.386 -6.174 -7.370 41 HD3 LYS 6 HD3 LYS 6 1.234 -6.755 -7.762 42 HE2 LYS 6 HE2 LYS 6 1.778 -5.747 -5.379 43 HE3 LYS 6 HE3 LYS 6 0.054 -6.020 -5.131 44 HZ1 LYS 6 HZ1 LYS 6 2.167 -7.895 -5.107 45 HZ2 LYS 6 HZ2 LYS 6 1.056 -8.316 -6.311 46 HZ3 LYS 6 HZ3 LYS 6 0.538 -8.125 -4.711 47 H LEU 7 H LEU 7 -1.044 -1.508 -9.102 48 HA LEU 7 HA LEU 7 -2.041 -1.677 -11.822 49 HB2 LEU 7 HB2 LEU 7 -3.235 0.005 -9.651 50 HB3 LEU 7 HB3 LEU 7 -4.031 -0.755 -11.027 51 HG LEU 7 HG LEU 7 -2.882 -2.306 -8.714 52 HD11 LEU 7 HD11 LEU 7 -5.709 -2.337 -8.699 53 HD12 LEU 7 HD12 LEU 7 -5.195 -0.651 -8.755 54 HD13 LEU 7 HD13 LEU 7 -4.612 -1.708 -7.469 55 HD21 LEU 7 HD21 LEU 7 -4.779 -3.865 -9.714 56 HD22 LEU 7 HD22 LEU 7 -3.135 -3.866 -10.354 57 HD23 LEU 7 HD23 LEU 7 -4.403 -2.957 -11.178 58 H VAL 8 H VAL 8 -0.577 0.682 -9.672 59 HA VAL 8 HA VAL 8 -1.028 2.965 -11.283 60 HB VAL 8 HB VAL 8 1.148 2.459 -9.248 61 HG11 VAL 8 HG11 VAL 8 0.624 4.695 -11.025 62 HG12 VAL 8 HG12 VAL 8 0.630 5.170 -9.325 63 HG13 VAL 8 HG13 VAL 8 2.032 4.356 -10.019 64 HG21 VAL 8 HG21 VAL 8 -0.265 3.184 -7.613 65 HG22 VAL 8 HG22 VAL 8 -1.202 4.194 -8.714 66 HG23 VAL 8 HG23 VAL 8 -1.448 2.448 -8.696 67 H ALA 9 H ALA 9 1.303 0.403 -11.397 68 HA ALA 9 HA ALA 9 3.378 1.626 -12.809 69 HB1 ALA 9 HB1 ALA 9 2.490 -1.119 -12.296 70 HB2 ALA 9 HB2 ALA 9 3.409 -0.913 -13.788 71 HB3 ALA 9 HB3 ALA 9 4.108 -0.418 -12.247 72 H LYS 10 H LYS 10 0.207 0.756 -13.814 73 HA LYS 10 HA LYS 10 0.941 1.265 -16.623 74 HB2 LYS 10 HB2 LYS 10 -1.488 -0.243 -15.648 75 HB3 LYS 10 HB3 LYS 10 -0.924 -0.095 -17.307 76 HG2 LYS 10 HG2 LYS 10 1.155 -1.311 -16.604 77 HG3 LYS 10 HG3 LYS 10 0.362 -1.620 -15.058 78 HD2 LYS 10 HD2 LYS 10 -1.574 -2.495 -16.631 79 HD3 LYS 10 HD3 LYS 10 -0.235 -2.717 -17.760 80 HE2 LYS 10 HE2 LYS 10 -0.358 -3.829 -14.958 81 HE3 LYS 10 HE3 LYS 10 -0.702 -4.739 -16.429 82 HZ1 LYS 10 HZ1 LYS 10 1.448 -5.192 -16.548 83 HZ2 LYS 10 HZ2 LYS 10 1.796 -4.188 -15.231 84 HZ3 LYS 10 HZ3 LYS 10 1.771 -3.550 -16.798 85 H PHE 11 H PHE 11 -1.136 2.107 -13.966 86 HA PHE 11 HA PHE 11 -2.801 3.844 -15.586 87 HB2 PHE 11 HB2 PHE 11 -2.727 3.309 -12.612 88 HB3 PHE 11 HB3 PHE 11 -3.866 4.406 -13.386 89 HD1 PHE 11 HD2 PHE 11 -4.547 2.893 -15.821 90 HD2 PHE 11 HD1 PHE 11 -4.052 1.588 -11.800 91 HE1 PHE 11 HE2 PHE 11 -6.071 1.010 -16.248 92 HE2 PHE 11 HE1 PHE 11 -5.574 -0.299 -12.221 93 HZ PHE 11 HZ PHE 11 -6.587 -0.589 -14.447 94 H GLY 12 H GLY 12 -0.787 4.346 -12.678 95 HA2 GLY 12 HA2 GLY 12 0.995 6.026 -12.774 96 HA3 GLY 12 HA3 GLY 12 -0.074 6.993 -13.779 97 H TRP 13 H TRP 13 0.984 8.268 -11.714 98 HA TRP 13 HA TRP 13 -0.450 8.060 -9.278 99 HB2 TRP 13 HB2 TRP 13 0.782 10.647 -10.126 100 HB3 TRP 13 HB3 TRP 13 0.805 9.858 -8.551 101 HD1 TRP 13 HD1 TRP 13 3.072 10.655 -11.243 102 HE1 TRP 13 HE1 TRP 13 5.144 9.129 -11.235 103 HE3 TRP 13 HE3 TRP 13 1.367 6.986 -8.117 104 HZ2 TRP 13 HZ2 TRP 13 5.950 6.692 -10.060 105 HZ3 TRP 13 HZ3 TRP 13 2.851 5.092 -7.602 106 HH2 TRP 13 HH2 TRP 13 5.094 4.949 -8.555 107 HA PRO 14 HA PRO 14 -2.952 11.839 -10.998 108 HB2 PRO 14 HB2 PRO 14 -2.805 12.271 -13.674 109 HB3 PRO 14 HB3 PRO 14 -1.701 13.024 -12.517 110 HG2 PRO 14 HG2 PRO 14 -1.280 10.617 -14.246 111 HG3 PRO 14 HG3 PRO 14 -0.170 11.956 -13.904 112 HD2 PRO 14 HD2 PRO 14 0.017 9.556 -12.664 113 HD3 PRO 14 HD3 PRO 14 0.460 11.079 -11.867 114 H PHE 15 H PHE 15 -2.659 8.742 -12.371 115 HA PHE 15 HA PHE 15 -5.364 8.809 -13.495 116 HB2 PHE 15 HB2 PHE 15 -3.212 7.758 -14.620 117 HB3 PHE 15 HB3 PHE 15 -3.637 6.375 -13.618 118 HD1 PHE 15 HD2 PHE 15 -5.731 5.171 -13.985 119 HD2 PHE 15 HD1 PHE 15 -4.542 8.390 -16.503 120 HE1 PHE 15 HE2 PHE 15 -7.381 4.461 -15.667 121 HE2 PHE 15 HE1 PHE 15 -6.191 7.686 -18.188 122 HZ PHE 15 HZ PHE 15 -7.612 5.718 -17.772 123 H ILE 16 H ILE 16 -3.387 7.002 -11.171 124 HA ILE 16 HA ILE 16 -5.440 5.278 -10.287 125 HB ILE 16 HB ILE 16 -2.990 4.927 -9.895 126 HG12 ILE 16 HG12 ILE 16 -3.565 4.453 -7.252 127 HG13 ILE 16 HG13 ILE 16 -5.172 4.556 -7.964 128 HG21 ILE 16 HG21 ILE 16 -2.513 7.244 -9.160 129 HG22 ILE 16 HG22 ILE 16 -3.374 6.910 -7.658 130 HG23 ILE 16 HG23 ILE 16 -1.902 6.021 -8.046 131 HD11 ILE 16 HD11 ILE 16 -3.554 2.335 -7.894 132 HD12 ILE 16 HD12 ILE 16 -4.974 2.561 -8.915 133 HD13 ILE 16 HD13 ILE 16 -3.369 2.928 -9.544 134 H LYS 17 H LYS 17 -4.549 8.538 -9.434 135 HA LYS 17 HA LYS 17 -6.069 8.635 -7.010 136 HB2 LYS 17 HB2 LYS 17 -5.510 10.939 -6.927 137 HB3 LYS 17 HB3 LYS 17 -4.101 10.118 -7.586 138 HG2 LYS 17 HG2 LYS 17 -4.776 10.786 -9.844 139 HG3 LYS 17 HG3 LYS 17 -6.171 11.630 -9.168 140 HD2 LYS 17 HD2 LYS 17 -3.303 12.244 -8.465 141 HD3 LYS 17 HD3 LYS 17 -4.240 13.117 -9.680 142 HE2 LYS 17 HE2 LYS 17 -4.947 12.872 -6.757 143 HE3 LYS 17 HE3 LYS 17 -4.209 14.282 -7.516 144 HZ1 LYS 17 HZ1 LYS 17 -6.910 13.174 -8.048 145 HZ2 LYS 17 HZ2 LYS 17 -6.199 14.399 -8.972 146 HZ3 LYS 17 HZ3 LYS 17 -6.537 14.662 -7.335 147 H LYS 18 H LYS 18 -6.821 8.854 -10.330 148 HA LYS 18 HA LYS 18 -9.123 10.524 -10.136 149 HB2 LYS 18 HB2 LYS 18 -7.852 10.109 -12.245 150 HB3 LYS 18 HB3 LYS 18 -8.475 8.464 -12.252 151 HG2 LYS 18 HG2 LYS 18 -10.735 9.278 -12.483 152 HG3 LYS 18 HG3 LYS 18 -10.176 10.947 -12.355 153 HD2 LYS 18 HD2 LYS 18 -9.114 9.124 -14.486 154 HD3 LYS 18 HD3 LYS 18 -10.647 9.973 -14.699 155 HE2 LYS 18 HE2 LYS 18 -8.128 11.410 -13.919 156 HE3 LYS 18 HE3 LYS 18 -8.533 11.092 -15.605 157 HZ1 LYS 18 HZ1 LYS 18 -9.607 13.032 -15.460 158 HZ2 LYS 18 HZ2 LYS 18 -9.666 13.009 -13.770 159 HZ3 LYS 18 HZ3 LYS 18 -10.816 12.153 -14.667 160 H PHE 19 H PHE 19 -8.501 7.164 -9.583 161 HA PHE 19 HA PHE 19 -11.278 6.806 -8.760 162 HB2 PHE 19 HB2 PHE 19 -9.876 5.209 -10.877 163 HB3 PHE 19 HB3 PHE 19 -11.104 4.447 -9.871 164 HD1 PHE 19 HD2 PHE 19 -10.470 7.033 -12.398 165 HD2 PHE 19 HD1 PHE 19 -13.420 4.961 -10.135 166 HE1 PHE 19 HE2 PHE 19 -12.226 7.937 -13.866 167 HE2 PHE 19 HE1 PHE 19 -15.180 5.861 -11.600 168 HZ PHE 19 HZ PHE 19 -14.585 7.352 -13.467 169 H TYR 20 H TYR 20 -8.857 7.144 -7.274 170 HA TYR 20 HA TYR 20 -7.798 4.687 -6.375 171 HB2 TYR 20 HB2 TYR 20 -6.859 7.064 -6.063 172 HB3 TYR 20 HB3 TYR 20 -7.947 7.174 -4.684 173 HD1 TYR 20 HD2 TYR 20 -5.644 4.534 -6.001 174 HD2 TYR 20 HD1 TYR 20 -6.833 6.922 -2.687 175 HE1 TYR 20 HE2 TYR 20 -3.969 3.407 -4.596 176 HE2 TYR 20 HE1 TYR 20 -5.161 5.803 -1.273 177 HH TYR 20 HH TYR 20 -3.803 3.951 -1.142 178 H LYS 21 H LYS 21 -10.622 6.530 -5.480 179 HA LYS 21 HA LYS 21 -11.204 5.462 -2.986 180 HB2 LYS 21 HB2 LYS 21 -12.409 7.310 -4.343 181 HB3 LYS 21 HB3 LYS 21 -13.352 5.989 -5.021 182 HG2 LYS 21 HG2 LYS 21 -14.329 5.473 -2.969 183 HG3 LYS 21 HG3 LYS 21 -13.099 6.353 -2.058 184 HD2 LYS 21 HD2 LYS 21 -14.006 8.430 -2.612 185 HD3 LYS 21 HD3 LYS 21 -14.908 7.776 -3.981 186 HE2 LYS 21 HE2 LYS 21 -16.455 8.257 -2.216 187 HE3 LYS 21 HE3 LYS 21 -16.312 6.507 -2.367 188 HZ1 LYS 21 HZ1 LYS 21 -16.053 6.647 -0.150 189 HZ2 LYS 21 HZ2 LYS 21 -15.515 8.250 -0.185 190 HZ3 LYS 21 HZ3 LYS 21 -14.444 6.991 -0.544 191 H GLN 22 H GLN 22 -11.932 4.182 -6.204 192 HA GLN 22 HA GLN 22 -13.260 1.857 -5.110 193 HB2 GLN 22 HB2 GLN 22 -12.478 2.508 -7.956 194 HB3 GLN 22 HB3 GLN 22 -13.497 1.164 -7.459 195 HG2 GLN 22 HG2 GLN 22 -14.101 4.094 -7.422 196 HG3 GLN 22 HG3 GLN 22 -14.992 2.784 -8.196 197 HE21 GLN 22 HE21 GLN 22 -15.461 0.994 -6.349 198 HE22 GLN 22 HE22 GLN 22 -16.329 1.647 -5.006 199 H ILE 23 H ILE 23 -10.244 2.553 -6.846 200 HA ILE 23 HA ILE 23 -9.241 -0.005 -7.107 201 HB ILE 23 HB ILE 23 -7.679 2.505 -6.486 202 HG12 ILE 23 HG12 ILE 23 -7.925 1.297 -9.209 203 HG13 ILE 23 HG13 ILE 23 -9.264 2.254 -8.587 204 HG21 ILE 23 HG21 ILE 23 -6.297 0.593 -6.068 205 HG22 ILE 23 HG22 ILE 23 -6.798 -0.159 -7.582 206 HG23 ILE 23 HG23 ILE 23 -5.809 1.301 -7.607 207 HD11 ILE 23 HD11 ILE 23 -6.739 3.106 -9.680 208 HD12 ILE 23 HD12 ILE 23 -8.205 4.035 -9.363 209 HD13 ILE 23 HD13 ILE 23 -7.017 3.796 -8.081 210 H MET 24 H MET 24 -8.335 2.247 -4.486 211 HA MET 24 HA MET 24 -6.996 0.413 -2.898 212 HB2 MET 24 HB2 MET 24 -7.134 1.995 -1.142 213 HB3 MET 24 HB3 MET 24 -7.091 2.933 -2.628 214 HG2 MET 24 HG2 MET 24 -9.691 2.837 -2.417 215 HG3 MET 24 HG3 MET 24 -9.337 2.497 -0.725 216 HE1 MET 24 HE1 MET 24 -7.818 4.705 0.876 217 HE2 MET 24 HE2 MET 24 -9.273 5.696 0.771 218 HE3 MET 24 HE3 MET 24 -9.405 3.937 0.816 219 H GLN 25 H GLN 25 -10.409 0.927 -3.307 220 HA GLN 25 HA GLN 25 -11.206 -0.503 -0.955 221 HB2 GLN 25 HB2 GLN 25 -12.576 0.707 -3.300 222 HB3 GLN 25 HB3 GLN 25 -13.432 -0.561 -2.434 223 HG2 GLN 25 HG2 GLN 25 -13.175 0.711 -0.350 224 HG3 GLN 25 HG3 GLN 25 -12.370 1.994 -1.251 225 HE21 GLN 25 HE21 GLN 25 -14.198 3.180 -0.190 226 HE22 GLN 25 HE22 GLN 25 -15.679 3.292 -1.072 227 H PHE 26 H PHE 26 -10.506 -1.318 -4.269 228 HA PHE 26 HA PHE 26 -11.735 -3.900 -4.208 229 HB2 PHE 26 HB2 PHE 26 -9.734 -2.633 -6.080 230 HB3 PHE 26 HB3 PHE 26 -10.363 -4.261 -6.307 231 HD1 PHE 26 HD1 PHE 26 -13.175 -3.974 -5.630 232 HD2 PHE 26 HD2 PHE 26 -10.609 -1.349 -7.785 233 HE1 PHE 26 HE1 PHE 26 -15.121 -3.057 -6.824 234 HE2 PHE 26 HE2 PHE 26 -12.551 -0.427 -8.981 235 HZ PHE 26 HZ PHE 26 -14.811 -1.280 -8.500 236 H ILE 27 H ILE 27 -8.579 -2.617 -3.444 237 HA ILE 27 HA ILE 27 -7.096 -4.995 -3.457 238 HB ILE 27 HB ILE 27 -6.719 -2.579 -1.684 239 HG12 ILE 27 HG12 ILE 27 -5.244 -3.213 -4.234 240 HG13 ILE 27 HG13 ILE 27 -6.736 -2.279 -4.236 241 HG21 ILE 27 HG21 ILE 27 -5.222 -5.081 -2.014 242 HG22 ILE 27 HG22 ILE 27 -4.245 -3.615 -2.093 243 HG23 ILE 27 HG23 ILE 27 -5.241 -3.937 -0.673 244 HD11 ILE 27 HD11 ILE 27 -5.378 -0.910 -2.392 245 HD12 ILE 27 HD12 ILE 27 -4.029 -1.531 -3.345 246 HD13 ILE 27 HD13 ILE 27 -5.284 -0.563 -4.119 247 H GLY 28 H GLY 28 -8.749 -3.363 -0.750 248 HA2 GLY 28 HA2 GLY 28 -8.150 -5.294 1.200 249 HA3 GLY 28 HA3 GLY 28 -9.492 -4.161 1.269 250 H GLN 29 H GLN 29 -10.387 -5.383 -1.405 251 HA GLN 29 HA GLN 29 -12.138 -7.333 -0.210 252 HB2 GLN 29 HB2 GLN 29 -13.114 -5.860 -1.818 253 HB3 GLN 29 HB3 GLN 29 -11.880 -6.243 -3.011 254 HG2 GLN 29 HG2 GLN 29 -13.942 -7.333 -3.592 255 HG3 GLN 29 HG3 GLN 29 -12.739 -8.539 -3.137 256 HE21 GLN 29 HE21 GLN 29 -14.445 -10.011 -2.757 257 HE22 GLN 29 HE22 GLN 29 -15.383 -9.931 -1.308 258 H GLY 30 H GLY 30 -9.245 -7.347 -2.125 259 HA2 GLY 30 HA2 GLY 30 -7.852 -9.319 -2.094 260 HA3 GLY 30 HA3 GLY 30 -9.314 -10.294 -2.092 261 H TRP 31 H TRP 31 -9.025 -7.526 -4.178 262 HA TRP 31 HA TRP 31 -9.367 -9.215 -6.494 263 HB2 TRP 31 HB2 TRP 31 -9.357 -6.255 -6.010 264 HB3 TRP 31 HB3 TRP 31 -9.222 -6.876 -7.653 265 HD1 TRP 31 HD1 TRP 31 -11.447 -8.752 -5.207 266 HE1 TRP 31 HE1 TRP 31 -13.905 -8.441 -5.903 267 HE3 TRP 31 HE3 TRP 31 -10.822 -5.195 -8.825 268 HZ2 TRP 31 HZ2 TRP 31 -15.383 -6.894 -7.744 269 HZ3 TRP 31 HZ3 TRP 31 -12.809 -4.352 -10.006 270 HH2 TRP 31 HH2 TRP 31 -15.042 -5.186 -9.476 271 H THR 32 H THR 32 -7.876 -9.755 -7.980 272 HA THR 32 HA THR 32 -5.108 -9.335 -7.372 273 HB THR 32 HB THR 32 -4.626 -10.711 -9.300 274 HG1 THR 32 HG1 THR 32 -6.585 -11.455 -10.522 275 HG21 THR 32 HG21 THR 32 -5.496 -11.790 -7.216 276 HG22 THR 32 HG22 THR 32 -5.772 -12.729 -8.684 277 HG23 THR 32 HG23 THR 32 -7.094 -11.815 -7.959 278 H ILE 33 H ILE 33 -3.618 -8.771 -9.323 279 HA ILE 33 HA ILE 33 -3.949 -6.056 -9.905 280 HB ILE 33 HB ILE 33 -2.217 -8.061 -11.355 281 HG12 ILE 33 HG12 ILE 33 -1.366 -6.146 -9.190 282 HG13 ILE 33 HG13 ILE 33 -1.942 -7.768 -8.818 283 HG21 ILE 33 HG21 ILE 33 -1.714 -6.393 -12.732 284 HG22 ILE 33 HG22 ILE 33 -2.717 -5.272 -11.814 285 HG23 ILE 33 HG23 ILE 33 -1.032 -5.523 -11.358 286 HD11 ILE 33 HD11 ILE 33 0.575 -6.899 -10.128 287 HD12 ILE 33 HD12 ILE 33 0.303 -8.130 -8.895 288 HD13 ILE 33 HD13 ILE 33 -0.117 -8.458 -10.576 289 H ASP 34 H ASP 34 -4.820 -8.931 -11.718 290 HA ASP 34 HA ASP 34 -5.425 -7.583 -14.154 291 HB2 ASP 34 HB2 ASP 34 -6.013 -10.312 -13.052 292 HB3 ASP 34 HB3 ASP 34 -6.787 -9.773 -14.539 293 H GLN 35 H GLN 35 -7.297 -8.521 -11.320 294 HA GLN 35 HA GLN 35 -9.869 -8.100 -12.229 295 HB2 GLN 35 HB2 GLN 35 -8.530 -7.986 -9.593 296 HB3 GLN 35 HB3 GLN 35 -10.084 -7.171 -9.701 297 HG2 GLN 35 HG2 GLN 35 -10.512 -9.364 -8.948 298 HG3 GLN 35 HG3 GLN 35 -11.027 -9.296 -10.633 299 HE21 GLN 35 HE21 GLN 35 -9.523 -11.168 -8.449 300 HE22 GLN 35 HE22 GLN 35 -8.512 -12.105 -9.489 301 H ILE 36 H ILE 36 -7.748 -5.702 -10.660 302 HA ILE 36 HA ILE 36 -9.538 -3.535 -11.157 303 HB ILE 36 HB ILE 36 -6.613 -3.478 -10.406 304 HG12 ILE 36 HG12 ILE 36 -7.894 -2.736 -8.173 305 HG13 ILE 36 HG13 ILE 36 -9.143 -3.765 -8.866 306 HG21 ILE 36 HG21 ILE 36 -6.790 -1.311 -10.939 307 HG22 ILE 36 HG22 ILE 36 -8.551 -1.376 -11.007 308 HG23 ILE 36 HG23 ILE 36 -7.736 -1.175 -9.456 309 HD11 ILE 36 HD11 ILE 36 -7.862 -5.667 -8.675 310 HD12 ILE 36 HD12 ILE 36 -6.344 -4.769 -8.639 311 HD13 ILE 36 HD13 ILE 36 -7.406 -4.764 -7.231 312 H GLU 37 H GLU 37 -6.461 -4.568 -12.609 313 HA GLU 37 HA GLU 37 -6.126 -2.532 -14.449 314 HB2 GLU 37 HB2 GLU 37 -5.366 -5.435 -14.466 315 HB3 GLU 37 HB3 GLU 37 -5.036 -4.426 -15.868 316 HG2 GLU 37 HG2 GLU 37 -4.086 -3.817 -13.080 317 HG3 GLU 37 HG3 GLU 37 -3.129 -4.650 -14.303 318 H LYS 38 H LYS 38 -8.350 -5.206 -14.492 319 HA LYS 38 HA LYS 38 -9.145 -4.608 -17.246 320 HB2 LYS 38 HB2 LYS 38 -9.945 -6.852 -15.384 321 HB3 LYS 38 HB3 LYS 38 -10.553 -6.652 -17.022 322 HG2 LYS 38 HG2 LYS 38 -7.627 -6.927 -16.404 323 HG3 LYS 38 HG3 LYS 38 -8.679 -8.312 -16.710 324 HD2 LYS 38 HD2 LYS 38 -8.675 -6.060 -18.661 325 HD3 LYS 38 HD3 LYS 38 -7.308 -7.177 -18.655 326 HE2 LYS 38 HE2 LYS 38 -10.191 -8.035 -18.845 327 HE3 LYS 38 HE3 LYS 38 -9.145 -7.782 -20.241 328 HZ1 LYS 38 HZ1 LYS 38 -8.489 -9.869 -19.991 329 HZ2 LYS 38 HZ2 LYS 38 -9.324 -10.035 -18.530 330 HZ3 LYS 38 HZ3 LYS 38 -7.742 -9.434 -18.537 331 H TRP 39 H TRP 39 -10.172 -4.226 -13.965 332 HA TRP 39 HA TRP 39 -12.933 -3.744 -14.532 333 HB2 TRP 39 HB2 TRP 39 -12.294 -4.484 -12.320 334 HB3 TRP 39 HB3 TRP 39 -11.234 -3.092 -12.117 335 HD1 TRP 39 HD1 TRP 39 -14.809 -4.189 -11.697 336 HE1 TRP 39 HE1 TRP 39 -16.197 -2.250 -10.728 337 HE3 TRP 39 HE3 TRP 39 -11.391 -0.419 -12.189 338 HZ2 TRP 39 HZ2 TRP 39 -15.884 0.512 -10.238 339 HZ3 TRP 39 HZ3 TRP 39 -12.014 1.842 -11.446 340 HH2 TRP 39 HH2 TRP 39 -14.215 2.296 -10.492 341 H LEU 40 H LEU 40 -10.051 -1.762 -14.274 342 HA LEU 40 HA LEU 40 -11.562 0.707 -14.477 343 HB2 LEU 40 HB2 LEU 40 -9.627 0.736 -13.069 344 HB3 LEU 40 HB3 LEU 40 -8.612 0.116 -14.370 345 HG LEU 40 HG LEU 40 -8.749 2.203 -15.550 346 HD11 LEU 40 HD11 LEU 40 -11.075 2.747 -15.011 347 HD12 LEU 40 HD12 LEU 40 -9.996 4.107 -14.700 348 HD13 LEU 40 HD13 LEU 40 -10.598 3.134 -13.357 349 HD21 LEU 40 HD21 LEU 40 -7.119 3.033 -14.292 350 HD22 LEU 40 HD22 LEU 40 -7.558 1.874 -13.037 351 HD23 LEU 40 HD23 LEU 40 -8.261 3.492 -13.029 352 H LYS 41 H LYS 41 -9.310 -1.181 -16.457 353 HA LYS 41 HA LYS 41 -9.059 0.495 -18.638 354 HB2 LYS 41 HB2 LYS 41 -8.923 -2.451 -18.245 355 HB3 LYS 41 HB3 LYS 41 -9.027 -1.861 -19.898 356 HG2 LYS 41 HG2 LYS 41 -7.033 -0.546 -18.167 357 HG3 LYS 41 HG3 LYS 41 -6.716 -2.228 -18.602 358 HD2 LYS 41 HD2 LYS 41 -5.746 -1.240 -20.401 359 HD3 LYS 41 HD3 LYS 41 -7.402 -1.294 -21.010 360 HE2 LYS 41 HE2 LYS 41 -6.559 0.902 -21.404 361 HE3 LYS 41 HE3 LYS 41 -7.726 1.008 -20.087 362 HZ1 LYS 41 HZ1 LYS 41 -5.157 1.946 -20.061 363 HZ2 LYS 41 HZ2 LYS 41 -5.082 0.537 -19.128 364 HZ3 LYS 41 HZ3 LYS 41 -6.170 1.765 -18.717 365 H ARG 42 H ARG 42 -11.754 -1.506 -17.690 366 HA ARG 42 HA ARG 42 -13.143 -0.981 -20.207 367 HB2 ARG 42 HB2 ARG 42 -13.135 -3.269 -19.123 368 HB3 ARG 42 HB3 ARG 42 -14.143 -2.584 -17.855 369 HG2 ARG 42 HG2 ARG 42 -15.720 -1.889 -19.750 370 HG3 ARG 42 HG3 ARG 42 -14.800 -3.022 -20.743 371 HD2 ARG 42 HD2 ARG 42 -15.246 -4.702 -18.838 372 HD3 ARG 42 HD3 ARG 42 -16.499 -3.569 -18.335 373 HE ARG 42 HE ARG 42 -16.965 -3.992 -20.997 374 HH11 ARG 42 HH11 ARG 42 -16.705 -6.011 -18.173 375 HH12 ARG 42 HH12 ARG 42 -17.802 -7.212 -18.770 376 HH21 ARG 42 HH21 ARG 42 -18.411 -5.565 -21.794 377 HH22 ARG 42 HH22 ARG 42 -18.771 -6.958 -20.831 378 H HIS 43 H HIS 43 -13.092 -0.003 -16.882 379 HA HIS 43 HA HIS 43 -15.362 1.798 -17.413 380 HB2 HIS 43 HB2 HIS 43 -15.672 -0.179 -15.717 381 HB3 HIS 43 HB3 HIS 43 -14.749 0.860 -14.635 382 HD1 HIS 43 HD1 HIS 43 -16.234 2.165 -13.170 383 HD2 HIS 43 HD2 HIS 43 -17.935 1.543 -16.909 384 HE1 HIS 43 HE1 HIS 43 -18.475 3.302 -13.087 Start of MODEL 5 1 HCN FME 1 HF FME 1 -4.381 -1.067 2.244 2 HA FME 1 HA FME 1 -1.167 0.047 -0.284 3 HB2 FME 1 HB2 FME 1 0.268 0.337 1.966 4 HB3 FME 1 HB3 FME 1 -1.376 0.587 2.653 5 HG2 FME 1 HG2 FME 1 -1.740 2.587 1.488 6 HG3 FME 1 HG3 FME 1 -0.687 2.127 0.102 7 HE1 FME 1 HE8 FME 1 -1.005 4.742 2.353 8 HE2 FME 1 HE2 FME 1 0.331 4.800 3.575 9 HE3 FME 1 HE3 FME 1 -0.985 3.554 3.719 10 H GLY 2 H GLY 2 -0.877 -1.767 -1.317 11 HA2 GLY 2 HA2 GLY 2 1.120 -3.473 -0.238 12 HA3 GLY 2 HA3 GLY 2 -0.429 -4.302 -0.278 13 H ALA 3 H ALA 3 -1.538 -3.431 -2.604 14 HA ALA 3 HA ALA 3 0.420 -4.239 -4.654 15 HB1 ALA 3 HB1 ALA 3 -2.488 -4.942 -4.841 16 HB2 ALA 3 HB2 ALA 3 -1.115 -5.657 -5.686 17 HB3 ALA 3 HB3 ALA 3 -1.352 -5.968 -3.966 18 H ILE 4 H ILE 4 -0.322 -1.555 -3.874 19 HA ILE 4 HA ILE 4 -2.182 -0.500 -5.768 20 HB ILE 4 HB ILE 4 -0.060 0.998 -4.229 21 HG12 ILE 4 HG12 ILE 4 -1.531 -0.333 -2.746 22 HG13 ILE 4 HG13 ILE 4 -1.764 1.399 -2.537 23 HG21 ILE 4 HG21 ILE 4 -1.976 1.802 -6.180 24 HG22 ILE 4 HG22 ILE 4 -2.414 2.508 -4.625 25 HG23 ILE 4 HG23 ILE 4 -0.809 2.790 -5.300 26 HD11 ILE 4 HD11 ILE 4 -3.532 -0.240 -4.317 27 HD12 ILE 4 HD12 ILE 4 -3.837 -0.054 -2.590 28 HD13 ILE 4 HD13 ILE 4 -3.828 1.361 -3.641 29 H ALA 5 H ALA 5 1.348 -0.680 -5.579 30 HA ALA 5 HA ALA 5 1.942 0.854 -7.846 31 HB1 ALA 5 HB1 ALA 5 3.511 -1.481 -6.761 32 HB2 ALA 5 HB2 ALA 5 4.121 -0.191 -7.798 33 HB3 ALA 5 HB3 ALA 5 3.599 0.172 -6.153 34 H LYS 6 H LYS 6 1.014 -2.509 -7.495 35 HA LYS 6 HA LYS 6 1.727 -3.470 -10.014 36 HB2 LYS 6 HB2 LYS 6 -0.673 -4.256 -8.351 37 HB3 LYS 6 HB3 LYS 6 0.033 -5.204 -9.653 38 HG2 LYS 6 HG2 LYS 6 1.462 -4.453 -7.112 39 HG3 LYS 6 HG3 LYS 6 0.663 -5.999 -7.404 40 HD2 LYS 6 HD2 LYS 6 2.156 -6.238 -9.433 41 HD3 LYS 6 HD3 LYS 6 3.060 -4.851 -8.820 42 HE2 LYS 6 HE2 LYS 6 4.121 -6.927 -8.138 43 HE3 LYS 6 HE3 LYS 6 3.492 -6.067 -6.734 44 HZ1 LYS 6 HZ1 LYS 6 2.998 -8.677 -7.406 45 HZ2 LYS 6 HZ2 LYS 6 1.567 -7.870 -7.808 46 HZ3 LYS 6 HZ3 LYS 6 2.181 -7.769 -6.235 47 H LEU 7 H LEU 7 -0.889 -1.410 -9.033 48 HA LEU 7 HA LEU 7 -2.117 -1.618 -11.691 49 HB2 LEU 7 HB2 LEU 7 -3.248 -0.070 -9.388 50 HB3 LEU 7 HB3 LEU 7 -4.085 -0.746 -10.784 51 HG LEU 7 HG LEU 7 -2.859 -2.445 -8.621 52 HD11 LEU 7 HD11 LEU 7 -5.516 -2.645 -8.211 53 HD12 LEU 7 HD12 LEU 7 -5.392 -0.949 -8.676 54 HD13 LEU 7 HD13 LEU 7 -4.458 -1.558 -7.310 55 HD21 LEU 7 HD21 LEU 7 -4.842 -3.898 -9.654 56 HD22 LEU 7 HD22 LEU 7 -3.207 -3.912 -10.316 57 HD23 LEU 7 HD23 LEU 7 -4.456 -2.919 -11.069 58 H VAL 8 H VAL 8 -0.566 0.614 -9.477 59 HA VAL 8 HA VAL 8 -1.086 2.982 -10.952 60 HB VAL 8 HB VAL 8 1.149 2.400 -9.003 61 HG11 VAL 8 HG11 VAL 8 0.509 5.113 -8.950 62 HG12 VAL 8 HG12 VAL 8 1.967 4.376 -9.616 63 HG13 VAL 8 HG13 VAL 8 0.581 4.691 -10.661 64 HG21 VAL 8 HG21 VAL 8 -0.273 2.779 -7.314 65 HG22 VAL 8 HG22 VAL 8 -1.062 4.113 -8.155 66 HG23 VAL 8 HG23 VAL 8 -1.542 2.450 -8.495 67 H ALA 9 H ALA 9 1.321 0.477 -11.181 68 HA ALA 9 HA ALA 9 3.340 1.765 -12.583 69 HB1 ALA 9 HB1 ALA 9 2.479 -0.994 -12.178 70 HB2 ALA 9 HB2 ALA 9 3.310 -0.731 -13.712 71 HB3 ALA 9 HB3 ALA 9 4.101 -0.301 -12.195 72 H LYS 10 H LYS 10 0.174 0.821 -13.622 73 HA LYS 10 HA LYS 10 0.861 1.505 -16.403 74 HB2 LYS 10 HB2 LYS 10 -1.466 -0.096 -15.321 75 HB3 LYS 10 HB3 LYS 10 -1.226 0.308 -17.016 76 HG2 LYS 10 HG2 LYS 10 -0.309 -1.753 -17.042 77 HG3 LYS 10 HG3 LYS 10 1.124 -0.853 -16.539 78 HD2 LYS 10 HD2 LYS 10 0.728 -1.407 -14.233 79 HD3 LYS 10 HD3 LYS 10 -0.822 -2.151 -14.633 80 HE2 LYS 10 HE2 LYS 10 0.378 -3.825 -15.998 81 HE3 LYS 10 HE3 LYS 10 1.907 -3.105 -15.497 82 HZ1 LYS 10 HZ1 LYS 10 0.283 -4.979 -14.124 83 HZ2 LYS 10 HZ2 LYS 10 0.504 -3.597 -13.174 84 HZ3 LYS 10 HZ3 LYS 10 1.847 -4.449 -13.753 85 H PHE 11 H PHE 11 -1.393 2.116 -13.767 86 HA PHE 11 HA PHE 11 -2.941 4.022 -15.265 87 HB2 PHE 11 HB2 PHE 11 -2.871 3.387 -12.308 88 HB3 PHE 11 HB3 PHE 11 -4.024 4.480 -13.068 89 HD1 PHE 11 HD2 PHE 11 -4.620 2.972 -15.552 90 HD2 PHE 11 HD1 PHE 11 -4.217 1.660 -11.523 91 HE1 PHE 11 HE2 PHE 11 -6.109 1.072 -16.025 92 HE2 PHE 11 HE1 PHE 11 -5.705 -0.243 -11.990 93 HZ PHE 11 HZ PHE 11 -6.654 -0.539 -14.243 94 H GLY 12 H GLY 12 -1.120 4.453 -12.226 95 HA2 GLY 12 HA2 GLY 12 0.725 6.064 -12.157 96 HA3 GLY 12 HA3 GLY 12 -0.193 7.051 -13.285 97 H TRP 13 H TRP 13 0.653 8.376 -11.191 98 HA TRP 13 HA TRP 13 -0.990 8.255 -8.883 99 HB2 TRP 13 HB2 TRP 13 0.336 10.804 -9.709 100 HB3 TRP 13 HB3 TRP 13 0.205 10.077 -8.110 101 HD1 TRP 13 HD1 TRP 13 2.725 10.761 -10.593 102 HE1 TRP 13 HE1 TRP 13 4.769 9.218 -10.340 103 HE3 TRP 13 HE3 TRP 13 0.686 7.207 -7.536 104 HZ2 TRP 13 HZ2 TRP 13 5.430 6.812 -9.020 105 HZ3 TRP 13 HZ3 TRP 13 2.091 5.317 -6.824 106 HH2 TRP 13 HH2 TRP 13 4.414 5.125 -7.552 107 HA PRO 14 HA PRO 14 -3.303 11.986 -10.940 108 HB2 PRO 14 HB2 PRO 14 -2.924 12.323 -13.607 109 HB3 PRO 14 HB3 PRO 14 -1.917 13.111 -12.387 110 HG2 PRO 14 HG2 PRO 14 -1.368 10.642 -13.988 111 HG3 PRO 14 HG3 PRO 14 -0.281 11.987 -13.598 112 HD2 PRO 14 HD2 PRO 14 -0.221 9.631 -12.265 113 HD3 PRO 14 HD3 PRO 14 0.164 11.179 -11.485 114 H PHE 15 H PHE 15 -2.939 8.832 -12.123 115 HA PHE 15 HA PHE 15 -5.548 8.879 -13.468 116 HB2 PHE 15 HB2 PHE 15 -3.289 7.800 -14.392 117 HB3 PHE 15 HB3 PHE 15 -3.859 6.427 -13.450 118 HD1 PHE 15 HD1 PHE 15 -6.107 5.452 -13.956 119 HD2 PHE 15 HD2 PHE 15 -4.239 8.331 -16.473 120 HE1 PHE 15 HE1 PHE 15 -7.604 4.806 -15.799 121 HE2 PHE 15 HE2 PHE 15 -5.734 7.691 -18.320 122 HZ PHE 15 HZ PHE 15 -7.419 5.927 -17.984 123 H ILE 16 H ILE 16 -3.765 7.366 -10.841 124 HA ILE 16 HA ILE 16 -5.916 5.609 -10.102 125 HB ILE 16 HB ILE 16 -3.504 5.111 -9.649 126 HG12 ILE 16 HG12 ILE 16 -5.255 5.175 -7.183 127 HG13 ILE 16 HG13 ILE 16 -5.388 3.981 -8.470 128 HG21 ILE 16 HG21 ILE 16 -3.000 7.464 -8.890 129 HG22 ILE 16 HG22 ILE 16 -3.773 7.045 -7.362 130 HG23 ILE 16 HG23 ILE 16 -2.333 6.175 -7.888 131 HD11 ILE 16 HD11 ILE 16 -3.393 2.964 -7.902 132 HD12 ILE 16 HD12 ILE 16 -2.799 4.382 -7.037 133 HD13 ILE 16 HD13 ILE 16 -4.079 3.392 -6.335 134 H LYS 17 H LYS 17 -4.852 8.812 -9.232 135 HA LYS 17 HA LYS 17 -6.331 9.045 -6.818 136 HB2 LYS 17 HB2 LYS 17 -5.803 11.370 -6.897 137 HB3 LYS 17 HB3 LYS 17 -4.400 10.503 -7.510 138 HG2 LYS 17 HG2 LYS 17 -5.103 11.009 -9.804 139 HG3 LYS 17 HG3 LYS 17 -6.484 11.907 -9.171 140 HD2 LYS 17 HD2 LYS 17 -4.701 13.247 -7.855 141 HD3 LYS 17 HD3 LYS 17 -3.566 12.574 -9.028 142 HE2 LYS 17 HE2 LYS 17 -4.173 14.588 -10.001 143 HE3 LYS 17 HE3 LYS 17 -5.248 13.436 -10.792 144 HZ1 LYS 17 HZ1 LYS 17 -6.757 14.997 -10.201 145 HZ2 LYS 17 HZ2 LYS 17 -5.871 15.538 -8.866 146 HZ3 LYS 17 HZ3 LYS 17 -6.772 14.110 -8.760 147 H LYS 18 H LYS 18 -7.195 9.173 -10.134 148 HA LYS 18 HA LYS 18 -9.460 10.847 -9.993 149 HB2 LYS 18 HB2 LYS 18 -8.633 8.650 -11.876 150 HB3 LYS 18 HB3 LYS 18 -10.169 9.486 -12.061 151 HG2 LYS 18 HG2 LYS 18 -7.547 10.943 -11.945 152 HG3 LYS 18 HG3 LYS 18 -8.236 10.334 -13.451 153 HD2 LYS 18 HD2 LYS 18 -10.207 11.694 -13.149 154 HD3 LYS 18 HD3 LYS 18 -9.642 12.220 -11.562 155 HE2 LYS 18 HE2 LYS 18 -7.570 13.077 -12.854 156 HE3 LYS 18 HE3 LYS 18 -8.600 12.939 -14.278 157 HZ1 LYS 18 HZ1 LYS 18 -9.940 14.274 -12.152 158 HZ2 LYS 18 HZ2 LYS 18 -9.655 14.797 -13.735 159 HZ3 LYS 18 HZ3 LYS 18 -8.489 15.055 -12.536 160 H PHE 19 H PHE 19 -8.972 7.441 -9.320 161 HA PHE 19 HA PHE 19 -11.631 7.343 -8.113 162 HB2 PHE 19 HB2 PHE 19 -10.624 5.327 -10.131 163 HB3 PHE 19 HB3 PHE 19 -12.068 5.121 -9.145 164 HD1 PHE 19 HD2 PHE 19 -10.541 7.152 -11.821 165 HD2 PHE 19 HD1 PHE 19 -14.112 6.131 -9.744 166 HE1 PHE 19 HE2 PHE 19 -11.866 8.331 -13.527 167 HE2 PHE 19 HE1 PHE 19 -15.443 7.306 -11.447 168 HZ PHE 19 HZ PHE 19 -14.320 8.410 -13.341 169 H TYR 20 H TYR 20 -9.175 7.572 -6.828 170 HA TYR 20 HA TYR 20 -8.002 5.143 -6.057 171 HB2 TYR 20 HB2 TYR 20 -7.019 7.405 -5.675 172 HB3 TYR 20 HB3 TYR 20 -8.208 7.668 -4.404 173 HD1 TYR 20 HD2 TYR 20 -5.909 4.859 -5.322 174 HD2 TYR 20 HD1 TYR 20 -7.285 7.522 -2.303 175 HE1 TYR 20 HE2 TYR 20 -4.403 3.788 -3.699 176 HE2 TYR 20 HE1 TYR 20 -5.783 6.459 -0.672 177 HH TYR 20 HH TYR 20 -4.533 3.623 -0.899 178 H LYS 21 H LYS 21 -10.852 6.820 -4.930 179 HA LYS 21 HA LYS 21 -11.223 5.454 -2.499 180 HB2 LYS 21 HB2 LYS 21 -13.207 6.750 -4.372 181 HB3 LYS 21 HB3 LYS 21 -13.634 6.124 -2.785 182 HG2 LYS 21 HG2 LYS 21 -11.487 8.186 -3.160 183 HG3 LYS 21 HG3 LYS 21 -13.189 8.614 -2.968 184 HD2 LYS 21 HD2 LYS 21 -13.266 7.569 -0.807 185 HD3 LYS 21 HD3 LYS 21 -11.636 6.923 -1.012 186 HE2 LYS 21 HE2 LYS 21 -10.828 9.295 -1.173 187 HE3 LYS 21 HE3 LYS 21 -12.449 9.809 -0.710 188 HZ1 LYS 21 HZ1 LYS 21 -10.603 9.489 1.077 189 HZ2 LYS 21 HZ2 LYS 21 -11.045 7.859 0.975 190 HZ3 LYS 21 HZ3 LYS 21 -12.195 9.022 1.407 191 H GLN 22 H GLN 22 -11.780 4.531 -5.789 192 HA GLN 22 HA GLN 22 -13.309 2.175 -4.947 193 HB2 GLN 22 HB2 GLN 22 -14.209 3.555 -6.802 194 HB3 GLN 22 HB3 GLN 22 -12.763 3.201 -7.738 195 HG2 GLN 22 HG2 GLN 22 -14.142 1.624 -8.593 196 HG3 GLN 22 HG3 GLN 22 -13.486 0.710 -7.236 197 HE21 GLN 22 HE21 GLN 22 -16.245 2.467 -8.445 198 HE22 GLN 22 HE22 GLN 22 -17.393 1.828 -7.323 199 H ILE 23 H ILE 23 -10.301 3.161 -6.451 200 HA ILE 23 HA ILE 23 -9.455 0.595 -7.294 201 HB ILE 23 HB ILE 23 -7.791 3.013 -6.581 202 HG12 ILE 23 HG12 ILE 23 -8.265 2.152 -9.387 203 HG13 ILE 23 HG13 ILE 23 -9.611 2.914 -8.547 204 HG21 ILE 23 HG21 ILE 23 -6.451 0.995 -6.527 205 HG22 ILE 23 HG22 ILE 23 -7.065 0.518 -8.109 206 HG23 ILE 23 HG23 ILE 23 -6.047 1.949 -7.954 207 HD11 ILE 23 HD11 ILE 23 -7.186 4.080 -9.634 208 HD12 ILE 23 HD12 ILE 23 -8.727 4.835 -9.225 209 HD13 ILE 23 HD13 ILE 23 -7.510 4.581 -7.975 210 H MET 24 H MET 24 -8.371 2.545 -4.504 211 HA MET 24 HA MET 24 -6.802 0.632 -3.276 212 HB2 MET 24 HB2 MET 24 -6.933 1.937 -1.301 213 HB3 MET 24 HB3 MET 24 -7.064 3.071 -2.639 214 HG2 MET 24 HG2 MET 24 -9.617 2.775 -2.304 215 HG3 MET 24 HG3 MET 24 -9.157 2.166 -0.716 216 HE1 MET 24 HE1 MET 24 -7.112 3.655 0.625 217 HE2 MET 24 HE2 MET 24 -7.846 5.159 1.183 218 HE3 MET 24 HE3 MET 24 -8.746 3.645 1.289 219 H GLN 25 H GLN 25 -10.273 0.929 -3.340 220 HA GLN 25 HA GLN 25 -10.898 -0.729 -1.156 221 HB2 GLN 25 HB2 GLN 25 -12.344 0.221 -3.580 222 HB3 GLN 25 HB3 GLN 25 -13.032 -1.132 -2.692 223 HG2 GLN 25 HG2 GLN 25 -12.342 1.541 -1.494 224 HG3 GLN 25 HG3 GLN 25 -13.952 1.047 -2.014 225 HE21 GLN 25 HE21 GLN 25 -13.774 1.828 0.493 226 HE22 GLN 25 HE22 GLN 25 -13.819 0.495 1.590 227 H PHE 26 H PHE 26 -10.484 -1.457 -4.605 228 HA PHE 26 HA PHE 26 -11.165 -4.132 -4.606 229 HB2 PHE 26 HB2 PHE 26 -9.008 -2.726 -6.194 230 HB3 PHE 26 HB3 PHE 26 -9.597 -4.349 -6.542 231 HD1 PHE 26 HD1 PHE 26 -12.442 -4.174 -6.288 232 HD2 PHE 26 HD2 PHE 26 -9.713 -1.308 -7.854 233 HE1 PHE 26 HE1 PHE 26 -14.240 -3.225 -7.673 234 HE2 PHE 26 HE2 PHE 26 -11.507 -0.353 -9.241 235 HZ PHE 26 HZ PHE 26 -13.774 -1.311 -9.152 236 H ILE 27 H ILE 27 -7.952 -2.721 -4.014 237 HA ILE 27 HA ILE 27 -6.501 -5.034 -3.628 238 HB ILE 27 HB ILE 27 -6.188 -2.440 -2.113 239 HG12 ILE 27 HG12 ILE 27 -6.105 -2.088 -4.520 240 HG13 ILE 27 HG13 ILE 27 -4.489 -1.930 -3.842 241 HG21 ILE 27 HG21 ILE 27 -4.658 -4.945 -2.142 242 HG22 ILE 27 HG22 ILE 27 -3.697 -3.481 -2.345 243 HG23 ILE 27 HG23 ILE 27 -4.728 -3.670 -0.927 244 HD11 ILE 27 HD11 ILE 27 -5.472 -3.732 -5.860 245 HD12 ILE 27 HD12 ILE 27 -3.813 -3.346 -5.401 246 HD13 ILE 27 HD13 ILE 27 -4.696 -4.607 -4.541 247 H GLY 28 H GLY 28 -8.261 -3.159 -1.159 248 HA2 GLY 28 HA2 GLY 28 -7.695 -4.975 0.955 249 HA3 GLY 28 HA3 GLY 28 -8.923 -3.719 0.972 250 H GLN 29 H GLN 29 -9.985 -5.031 -1.601 251 HA GLN 29 HA GLN 29 -11.902 -6.699 -0.255 252 HB2 GLN 29 HB2 GLN 29 -12.725 -5.277 -1.994 253 HB3 GLN 29 HB3 GLN 29 -11.549 -5.901 -3.143 254 HG2 GLN 29 HG2 GLN 29 -12.763 -7.743 -3.600 255 HG3 GLN 29 HG3 GLN 29 -13.376 -7.882 -1.953 256 HE21 GLN 29 HE21 GLN 29 -15.500 -7.806 -1.995 257 HE22 GLN 29 HE22 GLN 29 -16.464 -6.708 -2.916 258 H GLY 30 H GLY 30 -9.157 -7.165 -2.394 259 HA2 GLY 30 HA2 GLY 30 -7.914 -9.254 -2.124 260 HA3 GLY 30 HA3 GLY 30 -9.462 -10.077 -2.002 261 H TRP 31 H TRP 31 -9.131 -7.560 -4.340 262 HA TRP 31 HA TRP 31 -9.585 -9.448 -6.474 263 HB2 TRP 31 HB2 TRP 31 -9.524 -6.462 -6.250 264 HB3 TRP 31 HB3 TRP 31 -9.407 -7.210 -7.841 265 HD1 TRP 31 HD1 TRP 31 -11.631 -8.859 -5.234 266 HE1 TRP 31 HE1 TRP 31 -14.091 -8.583 -5.938 267 HE3 TRP 31 HE3 TRP 31 -10.998 -5.622 -9.139 268 HZ2 TRP 31 HZ2 TRP 31 -15.568 -7.179 -7.892 269 HZ3 TRP 31 HZ3 TRP 31 -12.986 -4.861 -10.374 270 HH2 TRP 31 HH2 TRP 31 -15.222 -5.625 -9.762 271 H THR 32 H THR 32 -8.171 -10.120 -7.994 272 HA THR 32 HA THR 32 -5.405 -9.975 -7.502 273 HB THR 32 HB THR 32 -5.109 -11.080 -9.663 274 HG1 THR 32 HG1 THR 32 -7.017 -11.452 -10.951 275 HG21 THR 32 HG21 THR 32 -6.154 -12.215 -7.546 276 HG22 THR 32 HG22 THR 32 -6.098 -13.084 -9.080 277 HG23 THR 32 HG23 THR 32 -7.595 -12.313 -8.557 278 H ILE 33 H ILE 33 -3.828 -9.296 -9.298 279 HA ILE 33 HA ILE 33 -4.006 -6.490 -9.608 280 HB ILE 33 HB ILE 33 -2.142 -8.430 -10.981 281 HG12 ILE 33 HG12 ILE 33 -0.665 -7.147 -9.091 282 HG13 ILE 33 HG13 ILE 33 -2.226 -7.234 -8.283 283 HG21 ILE 33 HG21 ILE 33 -2.251 -6.291 -12.139 284 HG22 ILE 33 HG22 ILE 33 -1.938 -5.443 -10.626 285 HG23 ILE 33 HG23 ILE 33 -0.698 -6.483 -11.327 286 HD11 ILE 33 HD11 ILE 33 -1.860 -9.345 -7.755 287 HD12 ILE 33 HD12 ILE 33 -1.636 -9.765 -9.453 288 HD13 ILE 33 HD13 ILE 33 -0.261 -9.227 -8.488 289 H ASP 34 H ASP 34 -4.881 -9.172 -11.643 290 HA ASP 34 HA ASP 34 -5.139 -7.569 -14.030 291 HB2 ASP 34 HB2 ASP 34 -4.604 -10.114 -13.844 292 HB3 ASP 34 HB3 ASP 34 -6.350 -10.295 -13.699 293 H GLN 35 H GLN 35 -7.124 -8.501 -11.364 294 HA GLN 35 HA GLN 35 -9.669 -8.265 -12.522 295 HB2 GLN 35 HB2 GLN 35 -8.569 -8.162 -9.766 296 HB3 GLN 35 HB3 GLN 35 -10.177 -7.491 -10.007 297 HG2 GLN 35 HG2 GLN 35 -9.324 -10.280 -10.751 298 HG3 GLN 35 HG3 GLN 35 -10.231 -9.836 -9.306 299 HE21 GLN 35 HE21 GLN 35 -12.387 -9.394 -9.458 300 HE22 GLN 35 HE22 GLN 35 -13.309 -9.633 -10.899 301 H ILE 36 H ILE 36 -7.705 -5.855 -10.788 302 HA ILE 36 HA ILE 36 -9.564 -3.734 -11.259 303 HB ILE 36 HB ILE 36 -6.669 -3.602 -10.406 304 HG12 ILE 36 HG12 ILE 36 -8.069 -2.983 -8.197 305 HG13 ILE 36 HG13 ILE 36 -9.229 -4.059 -8.969 306 HG21 ILE 36 HG21 ILE 36 -6.824 -1.398 -10.592 307 HG22 ILE 36 HG22 ILE 36 -8.468 -1.553 -11.208 308 HG23 ILE 36 HG23 ILE 36 -8.187 -1.401 -9.474 309 HD11 ILE 36 HD11 ILE 36 -8.049 -5.866 -8.444 310 HD12 ILE 36 HD12 ILE 36 -6.529 -5.130 -8.955 311 HD13 ILE 36 HD13 ILE 36 -7.163 -4.814 -7.340 312 H GLU 37 H GLU 37 -6.371 -4.553 -12.605 313 HA GLU 37 HA GLU 37 -6.108 -2.449 -14.386 314 HB2 GLU 37 HB2 GLU 37 -5.062 -5.236 -14.283 315 HB3 GLU 37 HB3 GLU 37 -4.873 -4.346 -15.787 316 HG2 GLU 37 HG2 GLU 37 -3.819 -2.506 -14.417 317 HG3 GLU 37 HG3 GLU 37 -3.786 -3.650 -13.077 318 H LYS 38 H LYS 38 -8.127 -5.267 -14.569 319 HA LYS 38 HA LYS 38 -8.806 -4.720 -17.362 320 HB2 LYS 38 HB2 LYS 38 -8.366 -7.049 -16.766 321 HB3 LYS 38 HB3 LYS 38 -9.621 -6.988 -15.536 322 HG2 LYS 38 HG2 LYS 38 -10.512 -8.116 -17.426 323 HG3 LYS 38 HG3 LYS 38 -11.271 -6.524 -17.350 324 HD2 LYS 38 HD2 LYS 38 -10.732 -6.777 -19.607 325 HD3 LYS 38 HD3 LYS 38 -9.415 -5.789 -18.971 326 HE2 LYS 38 HE2 LYS 38 -8.425 -7.454 -20.341 327 HE3 LYS 38 HE3 LYS 38 -8.108 -7.915 -18.670 328 HZ1 LYS 38 HZ1 LYS 38 -8.807 -9.884 -19.582 329 HZ2 LYS 38 HZ2 LYS 38 -9.923 -9.153 -20.621 330 HZ3 LYS 38 HZ3 LYS 38 -10.268 -9.289 -18.971 331 H TRP 39 H TRP 39 -10.058 -4.421 -14.143 332 HA TRP 39 HA TRP 39 -12.799 -4.125 -14.814 333 HB2 TRP 39 HB2 TRP 39 -12.187 -4.666 -12.546 334 HB3 TRP 39 HB3 TRP 39 -11.214 -3.204 -12.410 335 HD1 TRP 39 HD1 TRP 39 -14.733 -4.481 -12.007 336 HE1 TRP 39 HE1 TRP 39 -16.253 -2.570 -11.193 337 HE3 TRP 39 HE3 TRP 39 -11.518 -0.557 -12.645 338 HZ2 TRP 39 HZ2 TRP 39 -16.109 0.229 -10.865 339 HZ3 TRP 39 HZ3 TRP 39 -12.288 1.705 -12.058 340 HH2 TRP 39 HH2 TRP 39 -14.536 2.088 -11.187 341 H LEU 40 H LEU 40 -10.082 -1.926 -14.689 342 HA LEU 40 HA LEU 40 -11.792 0.395 -15.098 343 HB2 LEU 40 HB2 LEU 40 -9.965 0.716 -13.600 344 HB3 LEU 40 HB3 LEU 40 -8.818 0.067 -14.770 345 HG LEU 40 HG LEU 40 -9.013 2.023 -16.141 346 HD11 LEU 40 HD11 LEU 40 -11.415 2.412 -15.818 347 HD12 LEU 40 HD12 LEU 40 -10.468 3.881 -15.585 348 HD13 LEU 40 HD13 LEU 40 -11.091 3.003 -14.189 349 HD21 LEU 40 HD21 LEU 40 -7.535 3.049 -14.845 350 HD22 LEU 40 HD22 LEU 40 -8.046 2.037 -13.495 351 HD23 LEU 40 HD23 LEU 40 -8.816 3.601 -13.766 352 H LYS 41 H LYS 41 -9.419 -1.546 -16.838 353 HA LYS 41 HA LYS 41 -9.252 0.075 -19.142 354 HB2 LYS 41 HB2 LYS 41 -8.569 -2.749 -18.474 355 HB3 LYS 41 HB3 LYS 41 -8.646 -2.299 -20.172 356 HG2 LYS 41 HG2 LYS 41 -7.095 -0.345 -19.462 357 HG3 LYS 41 HG3 LYS 41 -6.775 -1.352 -18.048 358 HD2 LYS 41 HD2 LYS 41 -6.608 -2.586 -20.756 359 HD3 LYS 41 HD3 LYS 41 -5.293 -1.538 -20.219 360 HE2 LYS 41 HE2 LYS 41 -5.118 -2.926 -18.160 361 HE3 LYS 41 HE3 LYS 41 -6.319 -4.019 -18.845 362 HZ1 LYS 41 HZ1 LYS 41 -4.859 -4.820 -20.373 363 HZ2 LYS 41 HZ2 LYS 41 -3.763 -4.445 -19.141 364 HZ3 LYS 41 HZ3 LYS 41 -3.954 -3.392 -20.451 365 H ARG 42 H ARG 42 -11.438 -2.513 -18.197 366 HA ARG 42 HA ARG 42 -12.745 -2.570 -20.774 367 HB2 ARG 42 HB2 ARG 42 -12.449 -4.486 -18.972 368 HB3 ARG 42 HB3 ARG 42 -13.948 -3.816 -18.344 369 HG2 ARG 42 HG2 ARG 42 -13.784 -4.439 -21.245 370 HG3 ARG 42 HG3 ARG 42 -13.946 -5.770 -20.098 371 HD2 ARG 42 HD2 ARG 42 -15.765 -3.375 -20.083 372 HD3 ARG 42 HD3 ARG 42 -16.098 -4.816 -21.043 373 HE ARG 42 HE ARG 42 -15.607 -5.552 -18.369 374 HH11 ARG 42 HH11 ARG 42 -17.999 -3.977 -20.347 375 HH12 ARG 42 HH12 ARG 42 -19.326 -4.420 -19.325 376 HH21 ARG 42 HH21 ARG 42 -17.345 -6.142 -17.015 377 HH22 ARG 42 HH22 ARG 42 -18.953 -5.651 -17.429 378 H HIS 43 H HIS 43 -13.694 -1.665 -17.459 379 HA HIS 43 HA HIS 43 -16.122 -0.416 -18.405 380 HB2 HIS 43 HB2 HIS 43 -15.873 -1.642 -16.189 381 HB3 HIS 43 HB3 HIS 43 -14.963 -0.244 -15.624 382 HD1 HIS 43 HD1 HIS 43 -16.368 2.105 -15.790 383 HD2 HIS 43 HD2 HIS 43 -18.550 -1.431 -15.819 384 HE1 HIS 43 HE1 HIS 43 -18.720 2.761 -15.188 Start of MODEL 6 1 HCN FME 1 HF FME 1 -2.415 -0.037 1.629 2 HA FME 1 HA FME 1 0.567 -0.026 -1.372 3 HB2 FME 1 HB2 FME 1 0.971 0.419 1.588 4 HB3 FME 1 HB3 FME 1 1.469 1.371 0.146 5 HG2 FME 1 HG2 FME 1 3.051 -0.693 -0.406 6 HG3 FME 1 HG3 FME 1 2.796 -1.152 1.316 7 HE1 FME 1 HE8 FME 1 2.659 0.456 3.078 8 HE2 FME 1 HE2 FME 1 2.682 2.236 2.742 9 HE3 FME 1 HE3 FME 1 4.124 1.432 3.503 10 H GLY 2 H GLY 2 0.618 -1.712 -2.486 11 HA2 GLY 2 HA2 GLY 2 2.065 -3.910 -1.967 12 HA3 GLY 2 HA3 GLY 2 0.508 -4.352 -1.283 13 H ALA 3 H ALA 3 -1.326 -3.498 -2.994 14 HA ALA 3 HA ALA 3 -0.606 -4.822 -5.527 15 HB1 ALA 3 HB1 ALA 3 -3.175 -4.806 -3.972 16 HB2 ALA 3 HB2 ALA 3 -3.111 -5.266 -5.674 17 HB3 ALA 3 HB3 ALA 3 -2.200 -6.187 -4.477 18 H ILE 4 H ILE 4 -0.326 -1.970 -4.853 19 HA ILE 4 HA ILE 4 -2.285 -0.805 -6.717 20 HB ILE 4 HB ILE 4 -0.594 0.580 -4.632 21 HG12 ILE 4 HG12 ILE 4 -2.460 -0.766 -3.713 22 HG13 ILE 4 HG13 ILE 4 -2.693 0.960 -3.459 23 HG21 ILE 4 HG21 ILE 4 -0.936 2.006 -6.559 24 HG22 ILE 4 HG22 ILE 4 -2.668 1.682 -6.521 25 HG23 ILE 4 HG23 ILE 4 -1.910 2.579 -5.205 26 HD11 ILE 4 HD11 ILE 4 -3.906 0.229 -5.925 27 HD12 ILE 4 HD12 ILE 4 -4.445 -0.880 -4.664 28 HD13 ILE 4 HD13 ILE 4 -4.656 0.858 -4.459 29 H ALA 5 H ALA 5 1.098 -1.309 -6.082 30 HA ALA 5 HA ALA 5 2.166 0.553 -7.913 31 HB1 ALA 5 HB1 ALA 5 3.481 -2.059 -7.243 32 HB2 ALA 5 HB2 ALA 5 4.228 -0.498 -7.583 33 HB3 ALA 5 HB3 ALA 5 3.367 -0.751 -6.065 34 H LYS 6 H LYS 6 0.690 -2.547 -8.327 35 HA LYS 6 HA LYS 6 1.756 -2.956 -10.986 36 HB2 LYS 6 HB2 LYS 6 -0.246 -4.445 -9.297 37 HB3 LYS 6 HB3 LYS 6 0.070 -4.879 -10.972 38 HG2 LYS 6 HG2 LYS 6 1.504 -6.299 -9.927 39 HG3 LYS 6 HG3 LYS 6 2.569 -4.906 -10.134 40 HD2 LYS 6 HD2 LYS 6 1.905 -4.169 -7.833 41 HD3 LYS 6 HD3 LYS 6 1.055 -5.706 -7.651 42 HE2 LYS 6 HE2 LYS 6 4.002 -5.363 -8.202 43 HE3 LYS 6 HE3 LYS 6 3.285 -5.788 -6.649 44 HZ1 LYS 6 HZ1 LYS 6 2.247 -7.694 -8.132 45 HZ2 LYS 6 HZ2 LYS 6 3.766 -7.852 -7.405 46 HZ3 LYS 6 HZ3 LYS 6 3.650 -7.424 -9.037 47 H LEU 7 H LEU 7 -1.117 -1.659 -9.500 48 HA LEU 7 HA LEU 7 -2.642 -1.618 -11.945 49 HB2 LEU 7 HB2 LEU 7 -3.286 0.010 -9.518 50 HB3 LEU 7 HB3 LEU 7 -4.383 -0.707 -10.697 51 HG LEU 7 HG LEU 7 -2.777 -2.312 -8.714 52 HD11 LEU 7 HD11 LEU 7 -4.761 -2.471 -7.372 53 HD12 LEU 7 HD12 LEU 7 -5.672 -1.498 -8.526 54 HD13 LEU 7 HD13 LEU 7 -4.363 -0.768 -7.597 55 HD21 LEU 7 HD21 LEU 7 -4.956 -3.773 -9.380 56 HD22 LEU 7 HD22 LEU 7 -3.384 -3.917 -10.167 57 HD23 LEU 7 HD23 LEU 7 -4.649 -2.925 -10.896 58 H VAL 8 H VAL 8 -0.965 0.772 -9.927 59 HA VAL 8 HA VAL 8 -1.594 3.023 -11.506 60 HB VAL 8 HB VAL 8 0.777 2.582 -9.686 61 HG11 VAL 8 HG11 VAL 8 0.006 4.807 -11.395 62 HG12 VAL 8 HG12 VAL 8 0.195 5.274 -9.703 63 HG13 VAL 8 HG13 VAL 8 1.527 4.496 -10.558 64 HG21 VAL 8 HG21 VAL 8 -0.485 3.388 -7.930 65 HG22 VAL 8 HG22 VAL 8 -1.641 4.194 -8.991 66 HG23 VAL 8 HG23 VAL 8 -1.678 2.440 -8.819 67 H ALA 9 H ALA 9 0.731 0.496 -11.875 68 HA ALA 9 HA ALA 9 2.683 1.728 -13.428 69 HB1 ALA 9 HB1 ALA 9 1.781 -1.016 -12.950 70 HB2 ALA 9 HB2 ALA 9 2.563 -0.768 -14.511 71 HB3 ALA 9 HB3 ALA 9 3.413 -0.352 -13.023 72 H LYS 10 H LYS 10 -0.575 0.893 -14.203 73 HA LYS 10 HA LYS 10 -0.080 1.560 -17.031 74 HB2 LYS 10 HB2 LYS 10 -2.347 -0.071 -15.870 75 HB3 LYS 10 HB3 LYS 10 -2.091 0.275 -17.576 76 HG2 LYS 10 HG2 LYS 10 0.042 -1.107 -16.013 77 HG3 LYS 10 HG3 LYS 10 -1.362 -2.012 -16.584 78 HD2 LYS 10 HD2 LYS 10 -0.870 -1.081 -18.881 79 HD3 LYS 10 HD3 LYS 10 0.661 -0.498 -18.225 80 HE2 LYS 10 HE2 LYS 10 1.144 -2.857 -17.520 81 HE3 LYS 10 HE3 LYS 10 -0.287 -3.352 -18.423 82 HZ1 LYS 10 HZ1 LYS 10 1.209 -1.776 -20.134 83 HZ2 LYS 10 HZ2 LYS 10 0.989 -3.451 -20.213 84 HZ3 LYS 10 HZ3 LYS 10 2.316 -2.811 -19.382 85 H PHE 11 H PHE 11 -2.179 2.065 -14.249 86 HA PHE 11 HA PHE 11 -3.916 3.903 -15.591 87 HB2 PHE 11 HB2 PHE 11 -3.498 3.392 -12.638 88 HB3 PHE 11 HB3 PHE 11 -4.800 4.359 -13.324 89 HD1 PHE 11 HD2 PHE 11 -5.555 2.698 -15.648 90 HD2 PHE 11 HD1 PHE 11 -4.597 1.603 -11.648 91 HE1 PHE 11 HE2 PHE 11 -6.937 0.675 -15.874 92 HE2 PHE 11 HE1 PHE 11 -5.977 -0.422 -11.868 93 HZ PHE 11 HZ PHE 11 -7.150 -0.887 -13.983 94 H GLY 12 H GLY 12 -1.761 4.466 -12.801 95 HA2 GLY 12 HA2 GLY 12 0.004 6.151 -12.969 96 HA3 GLY 12 HA3 GLY 12 -1.073 7.074 -14.005 97 H TRP 13 H TRP 13 -0.053 8.486 -12.053 98 HA TRP 13 HA TRP 13 -1.416 8.361 -9.569 99 HB2 TRP 13 HB2 TRP 13 -0.302 10.940 -10.591 100 HB3 TRP 13 HB3 TRP 13 -0.211 10.241 -8.976 101 HD1 TRP 13 HD1 TRP 13 1.960 10.968 -11.762 102 HE1 TRP 13 HE1 TRP 13 4.086 9.518 -11.727 103 HE3 TRP 13 HE3 TRP 13 0.463 7.415 -8.405 104 HZ2 TRP 13 HZ2 TRP 13 5.006 7.177 -10.446 105 HZ3 TRP 13 HZ3 TRP 13 2.026 5.604 -7.829 106 HH2 TRP 13 HH2 TRP 13 4.250 5.489 -8.830 107 HA PRO 14 HA PRO 14 -4.098 11.948 -11.424 108 HB2 PRO 14 HB2 PRO 14 -4.035 12.236 -14.123 109 HB3 PRO 14 HB3 PRO 14 -2.931 13.091 -13.039 110 HG2 PRO 14 HG2 PRO 14 -2.464 10.608 -14.646 111 HG3 PRO 14 HG3 PRO 14 -1.396 12.003 -14.406 112 HD2 PRO 14 HD2 PRO 14 -1.090 9.683 -13.044 113 HD3 PRO 14 HD3 PRO 14 -0.684 11.263 -12.343 114 H PHE 15 H PHE 15 -3.738 8.784 -12.585 115 HA PHE 15 HA PHE 15 -6.479 8.697 -13.632 116 HB2 PHE 15 HB2 PHE 15 -4.290 7.674 -14.768 117 HB3 PHE 15 HB3 PHE 15 -4.705 6.308 -13.738 118 HD1 PHE 15 HD1 PHE 15 -6.977 5.264 -13.967 119 HD2 PHE 15 HD2 PHE 15 -5.454 8.094 -16.758 120 HE1 PHE 15 HE1 PHE 15 -8.635 4.517 -15.624 121 HE2 PHE 15 HE2 PHE 15 -7.110 7.352 -18.419 122 HZ PHE 15 HZ PHE 15 -8.704 5.562 -17.853 123 H ILE 16 H ILE 16 -4.357 7.283 -11.201 124 HA ILE 16 HA ILE 16 -6.334 5.474 -10.188 125 HB ILE 16 HB ILE 16 -3.863 5.118 -9.967 126 HG12 ILE 16 HG12 ILE 16 -4.658 5.032 -7.167 127 HG13 ILE 16 HG13 ILE 16 -5.936 4.460 -8.233 128 HG21 ILE 16 HG21 ILE 16 -3.380 7.490 -9.327 129 HG22 ILE 16 HG22 ILE 16 -4.042 7.130 -7.734 130 HG23 ILE 16 HG23 ILE 16 -2.607 6.278 -8.305 131 HD11 ILE 16 HD11 ILE 16 -3.817 3.152 -9.263 132 HD12 ILE 16 HD12 ILE 16 -3.349 3.253 -7.566 133 HD13 ILE 16 HD13 ILE 16 -4.878 2.500 -8.015 134 H LYS 17 H LYS 17 -5.358 8.752 -9.512 135 HA LYS 17 HA LYS 17 -6.613 8.982 -6.971 136 HB2 LYS 17 HB2 LYS 17 -6.185 11.316 -7.137 137 HB3 LYS 17 HB3 LYS 17 -4.820 10.502 -7.890 138 HG2 LYS 17 HG2 LYS 17 -5.775 10.945 -10.098 139 HG3 LYS 17 HG3 LYS 17 -7.134 11.776 -9.336 140 HD2 LYS 17 HD2 LYS 17 -5.262 13.204 -8.210 141 HD3 LYS 17 HD3 LYS 17 -4.271 12.612 -9.546 142 HE2 LYS 17 HE2 LYS 17 -5.148 14.640 -10.319 143 HE3 LYS 17 HE3 LYS 17 -6.165 13.409 -11.066 144 HZ1 LYS 17 HZ1 LYS 17 -7.955 14.072 -9.916 145 HZ2 LYS 17 HZ2 LYS 17 -7.107 15.524 -9.737 146 HZ3 LYS 17 HZ3 LYS 17 -7.086 14.375 -8.496 147 H LYS 18 H LYS 18 -7.783 8.977 -10.192 148 HA LYS 18 HA LYS 18 -10.145 10.519 -9.765 149 HB2 LYS 18 HB2 LYS 18 -8.854 9.486 -11.970 150 HB3 LYS 18 HB3 LYS 18 -10.296 8.485 -11.867 151 HG2 LYS 18 HG2 LYS 18 -10.659 11.412 -11.614 152 HG3 LYS 18 HG3 LYS 18 -10.234 10.776 -13.205 153 HD2 LYS 18 HD2 LYS 18 -12.136 9.106 -12.849 154 HD3 LYS 18 HD3 LYS 18 -12.640 10.149 -11.516 155 HE2 LYS 18 HE2 LYS 18 -12.207 11.141 -14.326 156 HE3 LYS 18 HE3 LYS 18 -13.767 10.578 -13.729 157 HZ1 LYS 18 HZ1 LYS 18 -13.314 12.289 -11.856 158 HZ2 LYS 18 HZ2 LYS 18 -13.895 12.823 -13.352 159 HZ3 LYS 18 HZ3 LYS 18 -12.253 12.982 -12.978 160 H PHE 19 H PHE 19 -9.236 7.251 -9.132 161 HA PHE 19 HA PHE 19 -11.873 6.752 -7.991 162 HB2 PHE 19 HB2 PHE 19 -10.584 5.071 -10.130 163 HB3 PHE 19 HB3 PHE 19 -11.757 4.390 -9.008 164 HD1 PHE 19 HD1 PHE 19 -14.085 5.208 -9.007 165 HD2 PHE 19 HD2 PHE 19 -11.252 6.476 -11.920 166 HE1 PHE 19 HE1 PHE 19 -15.919 6.012 -10.436 167 HE2 PHE 19 HE2 PHE 19 -13.082 7.283 -13.353 168 HZ PHE 19 HZ PHE 19 -15.419 7.053 -12.611 169 H TYR 20 H TYR 20 -9.451 7.340 -6.708 170 HA TYR 20 HA TYR 20 -8.054 5.022 -5.876 171 HB2 TYR 20 HB2 TYR 20 -7.231 7.402 -5.706 172 HB3 TYR 20 HB3 TYR 20 -8.320 7.609 -4.338 173 HD1 TYR 20 HD1 TYR 20 -5.873 4.981 -5.403 174 HD2 TYR 20 HD2 TYR 20 -7.219 7.586 -2.320 175 HE1 TYR 20 HE1 TYR 20 -4.144 4.086 -3.900 176 HE2 TYR 20 HE2 TYR 20 -5.493 6.699 -0.809 177 HH TYR 20 HH TYR 20 -3.239 5.566 -1.053 178 H LYS 21 H LYS 21 -11.024 6.494 -4.882 179 HA LYS 21 HA LYS 21 -11.181 5.268 -2.308 180 HB2 LYS 21 HB2 LYS 21 -12.478 7.324 -3.325 181 HB3 LYS 21 HB3 LYS 21 -13.619 6.087 -3.836 182 HG2 LYS 21 HG2 LYS 21 -14.494 6.733 -1.814 183 HG3 LYS 21 HG3 LYS 21 -13.517 5.338 -1.350 184 HD2 LYS 21 HD2 LYS 21 -11.733 6.778 -0.604 185 HD3 LYS 21 HD3 LYS 21 -12.585 8.204 -1.201 186 HE2 LYS 21 HE2 LYS 21 -13.472 6.378 1.030 187 HE3 LYS 21 HE3 LYS 21 -12.847 8.018 1.201 188 HZ1 LYS 21 HZ1 LYS 21 -15.454 7.127 0.173 189 HZ2 LYS 21 HZ2 LYS 21 -14.816 8.603 -0.348 190 HZ3 LYS 21 HZ3 LYS 21 -15.106 8.342 1.298 191 H GLN 22 H GLN 22 -11.898 4.266 -5.540 192 HA GLN 22 HA GLN 22 -13.455 1.973 -4.619 193 HB2 GLN 22 HB2 GLN 22 -14.236 3.245 -6.591 194 HB3 GLN 22 HB3 GLN 22 -12.748 2.829 -7.431 195 HG2 GLN 22 HG2 GLN 22 -14.087 1.217 -8.277 196 HG3 GLN 22 HG3 GLN 22 -13.537 0.374 -6.830 197 HE21 GLN 22 HE21 GLN 22 -15.018 -0.381 -5.481 198 HE22 GLN 22 HE22 GLN 22 -16.697 0.023 -5.500 199 H ILE 23 H ILE 23 -10.518 2.649 -6.509 200 HA ILE 23 HA ILE 23 -9.702 0.018 -6.920 201 HB ILE 23 HB ILE 23 -7.965 2.461 -6.545 202 HG12 ILE 23 HG12 ILE 23 -8.497 1.289 -9.218 203 HG13 ILE 23 HG13 ILE 23 -9.838 2.135 -8.454 204 HG21 ILE 23 HG21 ILE 23 -6.589 0.543 -6.284 205 HG22 ILE 23 HG22 ILE 23 -7.359 -0.274 -7.643 206 HG23 ILE 23 HG23 ILE 23 -6.336 1.134 -7.926 207 HD11 ILE 23 HD11 ILE 23 -7.178 3.207 -9.301 208 HD12 ILE 23 HD12 ILE 23 -8.795 3.763 -9.735 209 HD13 ILE 23 HD13 ILE 23 -8.171 4.049 -8.111 210 H MET 24 H MET 24 -8.476 2.262 -4.426 211 HA MET 24 HA MET 24 -6.965 0.414 -3.005 212 HB2 MET 24 HB2 MET 24 -6.918 2.891 -2.696 213 HB3 MET 24 HB3 MET 24 -8.447 2.775 -1.836 214 HG2 MET 24 HG2 MET 24 -6.919 2.841 -0.120 215 HG3 MET 24 HG3 MET 24 -7.193 1.111 -0.312 216 HE1 MET 24 HE1 MET 24 -4.650 3.097 0.891 217 HE2 MET 24 HE2 MET 24 -4.809 1.392 1.311 218 HE3 MET 24 HE3 MET 24 -3.307 1.990 0.606 219 H GLN 25 H GLN 25 -10.392 0.900 -3.078 220 HA GLN 25 HA GLN 25 -10.993 -0.410 -0.619 221 HB2 GLN 25 HB2 GLN 25 -12.486 0.721 -2.874 222 HB3 GLN 25 HB3 GLN 25 -13.255 -0.687 -2.154 223 HG2 GLN 25 HG2 GLN 25 -12.401 1.788 -0.669 224 HG3 GLN 25 HG3 GLN 25 -14.047 1.405 -1.172 225 HE21 GLN 25 HE21 GLN 25 -13.182 1.893 1.485 226 HE22 GLN 25 HE22 GLN 25 -13.451 0.450 2.396 227 H PHE 26 H PHE 26 -10.704 -1.445 -3.972 228 HA PHE 26 HA PHE 26 -11.780 -4.012 -3.729 229 HB2 PHE 26 HB2 PHE 26 -9.659 -2.895 -5.561 230 HB3 PHE 26 HB3 PHE 26 -10.261 -4.544 -5.702 231 HD1 PHE 26 HD1 PHE 26 -13.117 -4.217 -5.208 232 HD2 PHE 26 HD2 PHE 26 -10.429 -1.776 -7.428 233 HE1 PHE 26 HE1 PHE 26 -14.990 -3.415 -6.587 234 HE2 PHE 26 HE2 PHE 26 -12.298 -0.969 -8.810 235 HZ PHE 26 HZ PHE 26 -14.582 -1.788 -8.390 236 H ILE 27 H ILE 27 -8.627 -2.749 -2.896 237 HA ILE 27 HA ILE 27 -7.119 -5.048 -2.687 238 HB ILE 27 HB ILE 27 -7.067 -2.708 -0.777 239 HG12 ILE 27 HG12 ILE 27 -5.543 -3.190 -3.347 240 HG13 ILE 27 HG13 ILE 27 -6.831 -2.012 -3.120 241 HG21 ILE 27 HG21 ILE 27 -5.656 -5.146 -0.735 242 HG22 ILE 27 HG22 ILE 27 -4.518 -3.905 -1.257 243 HG23 ILE 27 HG23 ILE 27 -5.390 -3.719 0.265 244 HD11 ILE 27 HD11 ILE 27 -5.245 -0.546 -2.636 245 HD12 ILE 27 HD12 ILE 27 -5.000 -1.424 -1.126 246 HD13 ILE 27 HD13 ILE 27 -4.016 -1.806 -2.538 247 H GLY 28 H GLY 28 -8.632 -3.503 0.152 248 HA2 GLY 28 HA2 GLY 28 -8.378 -5.651 1.883 249 HA3 GLY 28 HA3 GLY 28 -9.615 -4.409 2.019 250 H GLN 29 H GLN 29 -10.957 -4.980 -0.432 251 HA GLN 29 HA GLN 29 -12.838 -6.835 0.397 252 HB2 GLN 29 HB2 GLN 29 -13.386 -5.262 -1.326 253 HB3 GLN 29 HB3 GLN 29 -12.126 -5.889 -2.379 254 HG2 GLN 29 HG2 GLN 29 -13.348 -7.714 -2.994 255 HG3 GLN 29 HG3 GLN 29 -14.265 -7.745 -1.488 256 HE21 GLN 29 HE21 GLN 29 -15.820 -5.960 -1.182 257 HE22 GLN 29 HE22 GLN 29 -16.679 -5.384 -2.566 258 H GLY 30 H GLY 30 -9.814 -7.325 -1.254 259 HA2 GLY 30 HA2 GLY 30 -8.706 -9.450 -1.105 260 HA3 GLY 30 HA3 GLY 30 -10.282 -10.228 -1.108 261 H TRP 31 H TRP 31 -9.730 -7.652 -3.337 262 HA TRP 31 HA TRP 31 -10.084 -9.469 -5.554 263 HB2 TRP 31 HB2 TRP 31 -10.059 -6.505 -5.201 264 HB3 TRP 31 HB3 TRP 31 -9.750 -7.155 -6.809 265 HD1 TRP 31 HD1 TRP 31 -12.225 -8.988 -4.579 266 HE1 TRP 31 HE1 TRP 31 -14.595 -8.692 -5.540 267 HE3 TRP 31 HE3 TRP 31 -11.214 -5.498 -8.176 268 HZ2 TRP 31 HZ2 TRP 31 -15.867 -7.181 -7.556 269 HZ3 TRP 31 HZ3 TRP 31 -13.063 -4.680 -9.578 270 HH2 TRP 31 HH2 TRP 31 -15.340 -5.505 -9.273 271 H THR 32 H THR 32 -8.591 -10.088 -7.027 272 HA THR 32 HA THR 32 -5.845 -9.938 -6.345 273 HB THR 32 HB THR 32 -5.405 -11.168 -8.363 274 HG1 THR 32 HG1 THR 32 -6.897 -11.327 -10.008 275 HG21 THR 32 HG21 THR 32 -6.855 -12.153 -6.386 276 HG22 THR 32 HG22 THR 32 -6.544 -13.092 -7.846 277 HG23 THR 32 HG23 THR 32 -8.084 -12.257 -7.646 278 H ILE 33 H ILE 33 -4.217 -9.337 -8.180 279 HA ILE 33 HA ILE 33 -4.388 -6.525 -8.535 280 HB ILE 33 HB ILE 33 -2.465 -8.465 -9.824 281 HG12 ILE 33 HG12 ILE 33 -1.064 -7.219 -7.859 282 HG13 ILE 33 HG13 ILE 33 -2.657 -7.300 -7.115 283 HG21 ILE 33 HG21 ILE 33 -2.576 -6.269 -10.926 284 HG22 ILE 33 HG22 ILE 33 -2.222 -5.492 -9.383 285 HG23 ILE 33 HG23 ILE 33 -1.022 -6.542 -10.137 286 HD11 ILE 33 HD11 ILE 33 -0.732 -9.284 -7.145 287 HD12 ILE 33 HD12 ILE 33 -2.423 -9.459 -6.677 288 HD13 ILE 33 HD13 ILE 33 -1.924 -9.815 -8.330 289 H ASP 34 H ASP 34 -5.147 -9.268 -10.544 290 HA ASP 34 HA ASP 34 -5.319 -7.742 -12.981 291 HB2 ASP 34 HB2 ASP 34 -5.953 -10.573 -12.207 292 HB3 ASP 34 HB3 ASP 34 -6.509 -9.929 -13.749 293 H GLN 35 H GLN 35 -7.433 -8.606 -10.379 294 HA GLN 35 HA GLN 35 -9.926 -8.406 -11.599 295 HB2 GLN 35 HB2 GLN 35 -8.944 -7.906 -8.813 296 HB3 GLN 35 HB3 GLN 35 -10.609 -7.527 -9.232 297 HG2 GLN 35 HG2 GLN 35 -9.426 -10.224 -9.781 298 HG3 GLN 35 HG3 GLN 35 -10.117 -9.812 -8.213 299 HE21 GLN 35 HE21 GLN 35 -10.740 -10.892 -11.342 300 HE22 GLN 35 HE22 GLN 35 -12.466 -10.843 -11.285 301 H ILE 36 H ILE 36 -7.916 -5.867 -10.145 302 HA ILE 36 HA ILE 36 -9.772 -3.773 -10.728 303 HB ILE 36 HB ILE 36 -6.834 -3.605 -10.045 304 HG12 ILE 36 HG12 ILE 36 -8.108 -2.750 -7.838 305 HG13 ILE 36 HG13 ILE 36 -9.319 -3.878 -8.439 306 HG21 ILE 36 HG21 ILE 36 -6.979 -1.432 -10.463 307 HG22 ILE 36 HG22 ILE 36 -8.668 -1.613 -10.932 308 HG23 ILE 36 HG23 ILE 36 -8.251 -1.296 -9.249 309 HD11 ILE 36 HD11 ILE 36 -8.082 -5.675 -7.921 310 HD12 ILE 36 HD12 ILE 36 -6.566 -4.899 -8.379 311 HD13 ILE 36 HD13 ILE 36 -7.292 -4.557 -6.809 312 H GLU 37 H GLU 37 -6.600 -4.649 -12.104 313 HA GLU 37 HA GLU 37 -6.472 -2.765 -14.116 314 HB2 GLU 37 HB2 GLU 37 -5.376 -5.528 -13.812 315 HB3 GLU 37 HB3 GLU 37 -5.215 -4.720 -15.365 316 HG2 GLU 37 HG2 GLU 37 -4.319 -3.457 -12.796 317 HG3 GLU 37 HG3 GLU 37 -3.277 -4.507 -13.754 318 H LYS 38 H LYS 38 -8.371 -5.681 -13.949 319 HA LYS 38 HA LYS 38 -9.159 -5.483 -16.747 320 HB2 LYS 38 HB2 LYS 38 -9.770 -7.469 -14.561 321 HB3 LYS 38 HB3 LYS 38 -10.577 -7.513 -16.124 322 HG2 LYS 38 HG2 LYS 38 -8.306 -7.674 -17.180 323 HG3 LYS 38 HG3 LYS 38 -7.648 -7.887 -15.556 324 HD2 LYS 38 HD2 LYS 38 -9.195 -9.833 -15.274 325 HD3 LYS 38 HD3 LYS 38 -9.626 -9.665 -16.978 326 HE2 LYS 38 HE2 LYS 38 -7.038 -9.771 -17.334 327 HE3 LYS 38 HE3 LYS 38 -7.047 -10.529 -15.742 328 HZ1 LYS 38 HZ1 LYS 38 -8.977 -11.570 -17.642 329 HZ2 LYS 38 HZ2 LYS 38 -7.992 -12.390 -16.538 330 HZ3 LYS 38 HZ3 LYS 38 -7.355 -11.873 -18.017 331 H TRP 39 H TRP 39 -10.415 -4.859 -13.544 332 HA TRP 39 HA TRP 39 -13.136 -4.567 -14.231 333 HB2 TRP 39 HB2 TRP 39 -12.501 -4.832 -11.919 334 HB3 TRP 39 HB3 TRP 39 -11.516 -3.372 -11.975 335 HD1 TRP 39 HD1 TRP 39 -15.113 -4.545 -11.601 336 HE1 TRP 39 HE1 TRP 39 -16.581 -2.540 -10.929 337 HE3 TRP 39 HE3 TRP 39 -11.699 -0.791 -12.229 338 HZ2 TRP 39 HZ2 TRP 39 -16.326 0.261 -10.696 339 HZ3 TRP 39 HZ3 TRP 39 -12.391 1.523 -11.760 340 HH2 TRP 39 HH2 TRP 39 -14.657 2.036 -11.010 341 H LEU 40 H LEU 40 -10.424 -2.316 -14.219 342 HA LEU 40 HA LEU 40 -12.161 -0.143 -15.110 343 HB2 LEU 40 HB2 LEU 40 -10.595 0.445 -13.401 344 HB3 LEU 40 HB3 LEU 40 -9.257 -0.239 -14.322 345 HG LEU 40 HG LEU 40 -9.352 1.550 -15.912 346 HD11 LEU 40 HD11 LEU 40 -11.783 1.804 -16.000 347 HD12 LEU 40 HD12 LEU 40 -10.976 3.354 -15.764 348 HD13 LEU 40 HD13 LEU 40 -11.762 2.553 -14.403 349 HD21 LEU 40 HD21 LEU 40 -8.740 1.884 -13.207 350 HD22 LEU 40 HD22 LEU 40 -9.629 3.335 -13.670 351 HD23 LEU 40 HD23 LEU 40 -8.180 2.866 -14.560 352 H LYS 41 H LYS 41 -9.438 -2.096 -16.215 353 HA LYS 41 HA LYS 41 -8.468 -2.366 -18.260 354 HB2 LYS 41 HB2 LYS 41 -11.374 -1.991 -18.859 355 HB3 LYS 41 HB3 LYS 41 -10.235 -2.097 -20.195 356 HG2 LYS 41 HG2 LYS 41 -9.758 -4.294 -19.801 357 HG3 LYS 41 HG3 LYS 41 -10.117 -4.177 -18.077 358 HD2 LYS 41 HD2 LYS 41 -11.915 -5.403 -18.853 359 HD3 LYS 41 HD3 LYS 41 -12.557 -3.759 -18.893 360 HE2 LYS 41 HE2 LYS 41 -11.717 -3.716 -21.323 361 HE3 LYS 41 HE3 LYS 41 -11.605 -5.469 -21.169 362 HZ1 LYS 41 HZ1 LYS 41 -13.788 -4.244 -22.000 363 HZ2 LYS 41 HZ2 LYS 41 -14.112 -4.237 -20.340 364 HZ3 LYS 41 HZ3 LYS 41 -13.838 -5.702 -21.142 365 H ARG 42 H ARG 42 -8.417 0.318 -17.092 366 HA ARG 42 HA ARG 42 -7.822 2.450 -17.623 367 HB2 ARG 42 HB2 ARG 42 -6.122 0.984 -18.905 368 HB3 ARG 42 HB3 ARG 42 -7.033 1.435 -20.340 369 HG2 ARG 42 HG2 ARG 42 -6.663 3.865 -19.439 370 HG3 ARG 42 HG3 ARG 42 -5.322 3.111 -18.574 371 HD2 ARG 42 HD2 ARG 42 -5.774 2.916 -21.549 372 HD3 ARG 42 HD3 ARG 42 -4.681 4.064 -20.775 373 HE ARG 42 HE ARG 42 -3.952 1.551 -19.876 374 HH11 ARG 42 HH11 ARG 42 -4.130 3.239 -22.916 375 HH12 ARG 42 HH12 ARG 42 -2.825 2.353 -23.633 376 HH21 ARG 42 HH21 ARG 42 -2.233 0.378 -20.809 377 HH22 ARG 42 HH22 ARG 42 -1.747 0.726 -22.434 378 H HIS 43 H HIS 43 -10.489 2.065 -17.916 379 HA HIS 43 HA HIS 43 -11.686 2.565 -20.352 380 HB2 HIS 43 HB2 HIS 43 -12.414 3.036 -17.521 381 HB3 HIS 43 HB3 HIS 43 -13.315 3.969 -18.713 382 HD1 HIS 43 HD1 HIS 43 -12.265 0.607 -19.807 383 HD2 HIS 43 HD2 HIS 43 -15.571 2.355 -17.997 384 HE1 HIS 43 HE1 HIS 43 -14.112 -1.089 -19.998 Start of MODEL 7 1 HCN FME 1 HF FME 1 -2.309 -3.215 3.643 2 HA FME 1 HA FME 1 -1.764 -1.429 0.598 3 HB2 FME 1 HB2 FME 1 -1.144 1.002 0.580 4 HB3 FME 1 HB3 FME 1 -0.704 0.843 2.317 5 HG2 FME 1 HG2 FME 1 -3.031 0.244 2.925 6 HG3 FME 1 HG3 FME 1 -3.530 0.223 1.195 7 HE1 FME 1 HE8 FME 1 -4.947 3.518 3.204 8 HE2 FME 1 HE2 FME 1 -4.289 2.077 4.083 9 HE3 FME 1 HE3 FME 1 -5.377 1.851 2.644 10 H GLY 2 H GLY 2 -0.277 -3.168 0.173 11 HA2 GLY 2 HA2 GLY 2 2.242 -1.989 -0.818 12 HA3 GLY 2 HA3 GLY 2 2.203 -3.593 -0.102 13 H ALA 3 H ALA 3 -0.515 -2.684 -1.992 14 HA ALA 3 HA ALA 3 0.558 -4.113 -4.328 15 HB1 ALA 3 HB1 ALA 3 -2.293 -4.555 -3.676 16 HB2 ALA 3 HB2 ALA 3 -1.110 -5.646 -4.398 17 HB3 ALA 3 HB3 ALA 3 -1.105 -5.367 -2.656 18 H ILE 4 H ILE 4 0.481 -1.370 -4.166 19 HA ILE 4 HA ILE 4 -1.848 -0.628 -5.808 20 HB ILE 4 HB ILE 4 -0.015 1.264 -4.339 21 HG12 ILE 4 HG12 ILE 4 -1.209 -0.220 -2.759 22 HG13 ILE 4 HG13 ILE 4 -1.752 1.450 -2.640 23 HG21 ILE 4 HG21 ILE 4 -2.051 1.618 -6.296 24 HG22 ILE 4 HG22 ILE 4 -2.610 2.304 -4.771 25 HG23 ILE 4 HG23 ILE 4 -1.084 2.842 -5.473 26 HD11 ILE 4 HD11 ILE 4 -3.219 -0.520 -4.343 27 HD12 ILE 4 HD12 ILE 4 -3.500 -0.424 -2.605 28 HD13 ILE 4 HD13 ILE 4 -3.797 0.984 -3.625 29 H ALA 5 H ALA 5 1.663 -0.386 -5.532 30 HA ALA 5 HA ALA 5 2.217 1.183 -7.752 31 HB1 ALA 5 HB1 ALA 5 3.954 -1.148 -7.028 32 HB2 ALA 5 HB2 ALA 5 4.419 0.462 -7.581 33 HB3 ALA 5 HB3 ALA 5 3.797 0.237 -5.946 34 H LYS 6 H LYS 6 1.401 -2.222 -7.551 35 HA LYS 6 HA LYS 6 2.173 -3.087 -10.074 36 HB2 LYS 6 HB2 LYS 6 0.126 -3.930 -8.094 37 HB3 LYS 6 HB3 LYS 6 -0.052 -4.547 -9.732 38 HG2 LYS 6 HG2 LYS 6 1.845 -5.812 -9.612 39 HG3 LYS 6 HG3 LYS 6 2.612 -4.750 -8.429 40 HD2 LYS 6 HD2 LYS 6 0.153 -6.163 -7.573 41 HD3 LYS 6 HD3 LYS 6 1.603 -7.145 -7.795 42 HE2 LYS 6 HE2 LYS 6 2.829 -5.743 -6.252 43 HE3 LYS 6 HE3 LYS 6 1.450 -4.656 -6.097 44 HZ1 LYS 6 HZ1 LYS 6 1.225 -5.969 -4.248 45 HZ2 LYS 6 HZ2 LYS 6 1.812 -7.361 -5.008 46 HZ3 LYS 6 HZ3 LYS 6 0.247 -6.812 -5.342 47 H LEU 7 H LEU 7 -0.900 -1.611 -9.071 48 HA LEU 7 HA LEU 7 -1.930 -1.595 -11.758 49 HB2 LEU 7 HB2 LEU 7 -3.034 0.015 -9.486 50 HB3 LEU 7 HB3 LEU 7 -3.885 -0.678 -10.864 51 HG LEU 7 HG LEU 7 -2.671 -2.345 -8.668 52 HD11 LEU 7 HD11 LEU 7 -5.202 -2.563 -8.075 53 HD12 LEU 7 HD12 LEU 7 -5.318 -0.982 -8.848 54 HD13 LEU 7 HD13 LEU 7 -4.258 -1.207 -7.457 55 HD21 LEU 7 HD21 LEU 7 -4.705 -3.771 -9.693 56 HD22 LEU 7 HD22 LEU 7 -3.048 -3.872 -10.288 57 HD23 LEU 7 HD23 LEU 7 -4.225 -2.858 -11.123 58 H VAL 8 H VAL 8 -0.251 0.624 -9.654 59 HA VAL 8 HA VAL 8 -0.793 2.998 -11.113 60 HB VAL 8 HB VAL 8 1.546 2.379 -9.303 61 HG11 VAL 8 HG11 VAL 8 0.894 4.679 -10.915 62 HG12 VAL 8 HG12 VAL 8 0.936 5.097 -9.202 63 HG13 VAL 8 HG13 VAL 8 2.340 4.349 -9.963 64 HG21 VAL 8 HG21 VAL 8 0.219 2.695 -7.538 65 HG22 VAL 8 HG22 VAL 8 -0.531 4.119 -8.260 66 HG23 VAL 8 HG23 VAL 8 -1.138 2.510 -8.651 67 H ALA 9 H ALA 9 1.477 0.404 -11.507 68 HA ALA 9 HA ALA 9 3.469 1.631 -13.012 69 HB1 ALA 9 HB1 ALA 9 2.495 -1.117 -12.635 70 HB2 ALA 9 HB2 ALA 9 3.373 -0.827 -14.138 71 HB3 ALA 9 HB3 ALA 9 4.137 -0.475 -12.588 72 H LYS 10 H LYS 10 0.210 0.853 -13.848 73 HA LYS 10 HA LYS 10 0.757 1.510 -16.667 74 HB2 LYS 10 HB2 LYS 10 -1.703 0.120 -15.606 75 HB3 LYS 10 HB3 LYS 10 -1.187 0.263 -17.282 76 HG2 LYS 10 HG2 LYS 10 0.907 -1.044 -16.474 77 HG3 LYS 10 HG3 LYS 10 -0.129 -1.501 -15.120 78 HD2 LYS 10 HD2 LYS 10 -1.665 -2.592 -16.525 79 HD3 LYS 10 HD3 LYS 10 -1.015 -1.820 -17.974 80 HE2 LYS 10 HE2 LYS 10 1.183 -3.079 -17.233 81 HE3 LYS 10 HE3 LYS 10 0.030 -4.128 -16.409 82 HZ1 LYS 10 HZ1 LYS 10 -0.764 -3.566 -19.092 83 HZ2 LYS 10 HZ2 LYS 10 -0.555 -5.058 -18.324 84 HZ3 LYS 10 HZ3 LYS 10 0.768 -4.281 -19.036 85 H PHE 11 H PHE 11 -1.372 2.129 -13.922 86 HA PHE 11 HA PHE 11 -2.933 4.097 -15.309 87 HB2 PHE 11 HB2 PHE 11 -2.712 3.459 -12.360 88 HB3 PHE 11 HB3 PHE 11 -3.893 4.558 -13.065 89 HD1 PHE 11 HD1 PHE 11 -4.664 3.064 -15.492 90 HD2 PHE 11 HD2 PHE 11 -3.999 1.726 -11.506 91 HE1 PHE 11 HE1 PHE 11 -6.193 1.175 -15.874 92 HE2 PHE 11 HE2 PHE 11 -5.526 -0.166 -11.883 93 HZ PHE 11 HZ PHE 11 -6.625 -0.444 -14.069 94 H GLY 12 H GLY 12 -1.007 4.499 -12.336 95 HA2 GLY 12 HA2 GLY 12 0.905 6.053 -12.374 96 HA3 GLY 12 HA3 GLY 12 -0.053 7.070 -13.440 97 H TRP 13 H TRP 13 0.911 8.390 -11.418 98 HA TRP 13 HA TRP 13 -0.577 8.272 -9.005 99 HB2 TRP 13 HB2 TRP 13 0.711 10.814 -9.910 100 HB3 TRP 13 HB3 TRP 13 0.681 10.082 -8.308 101 HD1 TRP 13 HD1 TRP 13 3.036 10.761 -10.949 102 HE1 TRP 13 HE1 TRP 13 5.082 9.203 -10.839 103 HE3 TRP 13 HE3 TRP 13 1.179 7.204 -7.780 104 HZ2 TRP 13 HZ2 TRP 13 5.812 6.787 -9.576 105 HZ3 TRP 13 HZ3 TRP 13 2.616 5.302 -7.171 106 HH2 TRP 13 HH2 TRP 13 4.884 5.099 -8.052 107 HA PRO 14 HA PRO 14 -2.989 12.025 -10.902 108 HB2 PRO 14 HB2 PRO 14 -2.777 12.369 -13.586 109 HB3 PRO 14 HB3 PRO 14 -1.689 13.145 -12.429 110 HG2 PRO 14 HG2 PRO 14 -1.260 10.679 -14.070 111 HG3 PRO 14 HG3 PRO 14 -0.141 12.015 -13.745 112 HD2 PRO 14 HD2 PRO 14 -0.014 9.653 -12.426 113 HD3 PRO 14 HD3 PRO 14 0.431 11.196 -11.668 114 H PHE 15 H PHE 15 -2.722 8.874 -12.119 115 HA PHE 15 HA PHE 15 -5.407 8.942 -13.301 116 HB2 PHE 15 HB2 PHE 15 -3.277 7.876 -14.421 117 HB3 PHE 15 HB3 PHE 15 -3.659 6.515 -13.371 118 HD1 PHE 15 HD1 PHE 15 -5.672 5.210 -13.706 119 HD2 PHE 15 HD2 PHE 15 -4.711 8.474 -16.263 120 HE1 PHE 15 HE1 PHE 15 -7.333 4.416 -15.338 121 HE2 PHE 15 HE2 PHE 15 -6.372 7.687 -17.898 122 HZ PHE 15 HZ PHE 15 -7.686 5.656 -17.436 123 H ILE 16 H ILE 16 -3.467 7.306 -10.847 124 HA ILE 16 HA ILE 16 -5.565 5.585 -9.967 125 HB ILE 16 HB ILE 16 -3.127 5.135 -9.614 126 HG12 ILE 16 HG12 ILE 16 -4.286 5.112 -6.887 127 HG13 ILE 16 HG13 ILE 16 -5.251 4.349 -8.146 128 HG21 ILE 16 HG21 ILE 16 -2.621 7.491 -8.891 129 HG22 ILE 16 HG22 ILE 16 -3.345 7.087 -7.336 130 HG23 ILE 16 HG23 ILE 16 -1.911 6.224 -7.890 131 HD11 ILE 16 HD11 ILE 16 -3.956 2.639 -7.209 132 HD12 ILE 16 HD12 ILE 16 -3.167 3.036 -8.736 133 HD13 ILE 16 HD13 ILE 16 -2.495 3.627 -7.216 134 H LYS 17 H LYS 17 -4.714 8.859 -9.347 135 HA LYS 17 HA LYS 17 -6.049 9.066 -6.811 136 HB2 LYS 17 HB2 LYS 17 -5.661 11.468 -7.034 137 HB3 LYS 17 HB3 LYS 17 -4.196 10.564 -7.395 138 HG2 LYS 17 HG2 LYS 17 -4.060 11.815 -9.227 139 HG3 LYS 17 HG3 LYS 17 -5.376 10.824 -9.862 140 HD2 LYS 17 HD2 LYS 17 -6.242 12.931 -10.159 141 HD3 LYS 17 HD3 LYS 17 -6.876 12.539 -8.559 142 HE2 LYS 17 HE2 LYS 17 -4.772 13.673 -7.650 143 HE3 LYS 17 HE3 LYS 17 -4.563 14.317 -9.278 144 HZ1 LYS 17 HZ1 LYS 17 -6.099 15.850 -8.897 145 HZ2 LYS 17 HZ2 LYS 17 -6.110 15.382 -7.272 146 HZ3 LYS 17 HZ3 LYS 17 -7.222 14.707 -8.354 147 H LYS 18 H LYS 18 -7.114 8.803 -9.967 148 HA LYS 18 HA LYS 18 -9.485 10.458 -9.610 149 HB2 LYS 18 HB2 LYS 18 -8.556 8.753 -11.927 150 HB3 LYS 18 HB3 LYS 18 -10.028 9.716 -11.931 151 HG2 LYS 18 HG2 LYS 18 -8.729 11.749 -11.683 152 HG3 LYS 18 HG3 LYS 18 -7.239 10.806 -11.602 153 HD2 LYS 18 HD2 LYS 18 -7.227 11.391 -13.817 154 HD3 LYS 18 HD3 LYS 18 -8.109 9.864 -13.905 155 HE2 LYS 18 HE2 LYS 18 -9.448 11.251 -15.169 156 HE3 LYS 18 HE3 LYS 18 -10.206 11.375 -13.582 157 HZ1 LYS 18 HZ1 LYS 18 -9.799 13.521 -14.830 158 HZ2 LYS 18 HZ2 LYS 18 -8.156 13.304 -14.493 159 HZ3 LYS 18 HZ3 LYS 18 -9.263 13.471 -13.226 160 H PHE 19 H PHE 19 -8.501 7.146 -9.411 161 HA PHE 19 HA PHE 19 -11.259 6.409 -8.713 162 HB2 PHE 19 HB2 PHE 19 -9.381 4.951 -10.563 163 HB3 PHE 19 HB3 PHE 19 -10.711 4.127 -9.756 164 HD1 PHE 19 HD1 PHE 19 -10.086 7.179 -11.807 165 HD2 PHE 19 HD2 PHE 19 -12.711 3.962 -10.867 166 HE1 PHE 19 HE1 PHE 19 -11.614 7.909 -13.592 167 HE2 PHE 19 HE2 PHE 19 -14.243 4.687 -12.651 168 HZ PHE 19 HZ PHE 19 -13.695 6.661 -14.017 169 H TYR 20 H TYR 20 -8.853 7.101 -7.136 170 HA TYR 20 HA TYR 20 -7.714 4.768 -6.022 171 HB2 TYR 20 HB2 TYR 20 -7.330 7.512 -5.757 172 HB3 TYR 20 HB3 TYR 20 -7.862 6.998 -4.160 173 HD1 TYR 20 HD1 TYR 20 -6.674 4.296 -4.001 174 HD2 TYR 20 HD2 TYR 20 -5.050 7.933 -5.497 175 HE1 TYR 20 HE1 TYR 20 -4.407 3.481 -3.505 176 HE2 TYR 20 HE2 TYR 20 -2.779 7.128 -5.007 177 HH TYR 20 HH TYR 20 -1.813 5.316 -3.229 178 H LYS 21 H LYS 21 -10.707 6.416 -5.484 179 HA LYS 21 HA LYS 21 -11.285 5.470 -2.888 180 HB2 LYS 21 HB2 LYS 21 -12.480 7.334 -4.044 181 HB3 LYS 21 HB3 LYS 21 -13.251 6.144 -5.084 182 HG2 LYS 21 HG2 LYS 21 -14.328 5.130 -3.154 183 HG3 LYS 21 HG3 LYS 21 -13.525 6.284 -2.087 184 HD2 LYS 21 HD2 LYS 21 -15.191 7.289 -4.353 185 HD3 LYS 21 HD3 LYS 21 -15.982 6.705 -2.887 186 HE2 LYS 21 HE2 LYS 21 -14.692 8.287 -1.552 187 HE3 LYS 21 HE3 LYS 21 -13.862 8.850 -3.002 188 HZ1 LYS 21 HZ1 LYS 21 -16.157 9.425 -3.857 189 HZ2 LYS 21 HZ2 LYS 21 -15.552 10.396 -2.611 190 HZ3 LYS 21 HZ3 LYS 21 -16.706 9.206 -2.272 191 H GLN 22 H GLN 22 -11.660 4.068 -6.074 192 HA GLN 22 HA GLN 22 -13.083 1.766 -4.971 193 HB2 GLN 22 HB2 GLN 22 -12.332 2.282 -7.849 194 HB3 GLN 22 HB3 GLN 22 -13.493 1.106 -7.247 195 HG2 GLN 22 HG2 GLN 22 -15.112 2.595 -7.416 196 HG3 GLN 22 HG3 GLN 22 -14.264 3.668 -6.305 197 HE21 GLN 22 HE21 GLN 22 -15.868 4.064 -8.836 198 HE22 GLN 22 HE22 GLN 22 -14.867 5.076 -9.815 199 H ILE 23 H ILE 23 -10.137 2.499 -6.818 200 HA ILE 23 HA ILE 23 -9.091 -0.040 -7.064 201 HB ILE 23 HB ILE 23 -7.559 2.511 -6.546 202 HG12 ILE 23 HG12 ILE 23 -7.900 1.237 -9.233 203 HG13 ILE 23 HG13 ILE 23 -9.210 2.212 -8.578 204 HG21 ILE 23 HG21 ILE 23 -6.123 0.637 -6.144 205 HG22 ILE 23 HG22 ILE 23 -6.665 -0.157 -7.623 206 HG23 ILE 23 HG23 ILE 23 -5.708 1.322 -7.715 207 HD11 ILE 23 HD11 ILE 23 -6.439 3.051 -9.326 208 HD12 ILE 23 HD12 ILE 23 -7.985 3.692 -9.882 209 HD13 ILE 23 HD13 ILE 23 -7.434 4.020 -8.239 210 H MET 24 H MET 24 -8.351 2.278 -4.451 211 HA MET 24 HA MET 24 -6.811 0.566 -2.889 212 HB2 MET 24 HB2 MET 24 -6.857 2.935 -2.445 213 HB3 MET 24 HB3 MET 24 -8.575 2.879 -2.076 214 HG2 MET 24 HG2 MET 24 -8.126 1.529 -0.106 215 HG3 MET 24 HG3 MET 24 -6.405 1.532 -0.485 216 HE1 MET 24 HE1 MET 24 -9.117 4.855 0.821 217 HE2 MET 24 HE2 MET 24 -9.444 3.141 0.564 218 HE3 MET 24 HE3 MET 24 -8.764 3.688 2.096 219 H GLN 25 H GLN 25 -10.237 0.706 -3.336 220 HA GLN 25 HA GLN 25 -10.857 -0.818 -0.963 221 HB2 GLN 25 HB2 GLN 25 -12.406 0.388 -3.200 222 HB3 GLN 25 HB3 GLN 25 -13.138 -0.958 -2.335 223 HG2 GLN 25 HG2 GLN 25 -12.105 1.543 -1.020 224 HG3 GLN 25 HG3 GLN 25 -13.786 1.275 -1.479 225 HE21 GLN 25 HE21 GLN 25 -14.937 -0.441 -0.444 226 HE22 GLN 25 HE22 GLN 25 -14.483 -0.962 1.139 227 H PHE 26 H PHE 26 -10.192 -1.432 -4.317 228 HA PHE 26 HA PHE 26 -11.277 -4.076 -4.379 229 HB2 PHE 26 HB2 PHE 26 -9.418 -2.545 -6.188 230 HB3 PHE 26 HB3 PHE 26 -9.803 -4.238 -6.480 231 HD1 PHE 26 HD1 PHE 26 -12.611 -4.441 -5.889 232 HD2 PHE 26 HD2 PHE 26 -10.481 -1.282 -7.787 233 HE1 PHE 26 HE1 PHE 26 -14.663 -3.771 -7.069 234 HE2 PHE 26 HE2 PHE 26 -12.530 -0.606 -8.969 235 HZ PHE 26 HZ PHE 26 -14.625 -1.850 -8.611 236 H ILE 27 H ILE 27 -8.063 -2.705 -3.858 237 HA ILE 27 HA ILE 27 -6.591 -5.081 -3.847 238 HB ILE 27 HB ILE 27 -6.081 -2.577 -2.236 239 HG12 ILE 27 HG12 ILE 27 -6.232 -2.113 -4.626 240 HG13 ILE 27 HG13 ILE 27 -4.559 -1.988 -4.092 241 HG21 ILE 27 HG21 ILE 27 -4.438 -5.014 -2.789 242 HG22 ILE 27 HG22 ILE 27 -3.661 -3.456 -2.516 243 HG23 ILE 27 HG23 ILE 27 -4.691 -4.158 -1.269 244 HD11 ILE 27 HD11 ILE 27 -5.827 -4.226 -5.644 245 HD12 ILE 27 HD12 ILE 27 -4.571 -3.109 -6.179 246 HD13 ILE 27 HD13 ILE 27 -4.212 -4.313 -4.941 247 H GLY 28 H GLY 28 -7.843 -3.265 -1.034 248 HA2 GLY 28 HA2 GLY 28 -7.181 -5.245 0.864 249 HA3 GLY 28 HA3 GLY 28 -8.344 -3.948 1.099 250 H GLN 29 H GLN 29 -9.756 -5.060 -1.398 251 HA GLN 29 HA GLN 29 -11.619 -6.675 0.051 252 HB2 GLN 29 HB2 GLN 29 -12.489 -5.212 -1.628 253 HB3 GLN 29 HB3 GLN 29 -11.423 -5.885 -2.854 254 HG2 GLN 29 HG2 GLN 29 -12.730 -7.702 -3.199 255 HG3 GLN 29 HG3 GLN 29 -13.297 -7.750 -1.531 256 HE21 GLN 29 HE21 GLN 29 -15.083 -6.562 -0.939 257 HE22 GLN 29 HE22 GLN 29 -16.134 -5.814 -2.089 258 H GLY 30 H GLY 30 -8.900 -7.290 -2.006 259 HA2 GLY 30 HA2 GLY 30 -7.817 -9.443 -1.871 260 HA3 GLY 30 HA3 GLY 30 -9.404 -10.179 -1.708 261 H TRP 31 H TRP 31 -8.994 -7.666 -4.040 262 HA TRP 31 HA TRP 31 -9.575 -9.538 -6.171 263 HB2 TRP 31 HB2 TRP 31 -9.591 -6.581 -5.853 264 HB3 TRP 31 HB3 TRP 31 -9.334 -7.212 -7.477 265 HD1 TRP 31 HD1 TRP 31 -11.647 -9.141 -5.160 266 HE1 TRP 31 HE1 TRP 31 -14.065 -8.914 -6.010 267 HE3 TRP 31 HE3 TRP 31 -10.910 -5.586 -8.759 268 HZ2 TRP 31 HZ2 TRP 31 -15.474 -7.424 -7.950 269 HZ3 TRP 31 HZ3 TRP 31 -12.845 -4.814 -10.068 270 HH2 TRP 31 HH2 TRP 31 -15.079 -5.716 -9.671 271 H THR 32 H THR 32 -8.238 -10.141 -7.804 272 HA THR 32 HA THR 32 -5.463 -10.114 -7.393 273 HB THR 32 HB THR 32 -5.237 -11.186 -9.509 274 HG1 THR 32 HG1 THR 32 -7.320 -11.219 -10.840 275 HG21 THR 32 HG21 THR 32 -6.487 -12.413 -7.691 276 HG22 THR 32 HG22 THR 32 -6.770 -12.999 -9.330 277 HG23 THR 32 HG23 THR 32 -7.975 -11.986 -8.535 278 H ILE 33 H ILE 33 -3.953 -9.397 -9.291 279 HA ILE 33 HA ILE 33 -4.039 -6.549 -9.359 280 HB ILE 33 HB ILE 33 -2.238 -8.420 -10.902 281 HG12 ILE 33 HG12 ILE 33 -0.694 -7.419 -8.924 282 HG13 ILE 33 HG13 ILE 33 -2.249 -7.454 -8.100 283 HG21 ILE 33 HG21 ILE 33 -2.328 -6.139 -11.810 284 HG22 ILE 33 HG22 ILE 33 -1.891 -5.502 -10.225 285 HG23 ILE 33 HG23 ILE 33 -0.752 -6.513 -11.114 286 HD11 ILE 33 HD11 ILE 33 -2.124 -9.645 -7.810 287 HD12 ILE 33 HD12 ILE 33 -1.755 -9.918 -9.514 288 HD13 ILE 33 HD13 ILE 33 -0.458 -9.546 -8.378 289 H ASP 34 H ASP 34 -4.732 -9.099 -11.685 290 HA ASP 34 HA ASP 34 -5.054 -7.342 -13.914 291 HB2 ASP 34 HB2 ASP 34 -5.917 -10.201 -13.451 292 HB3 ASP 34 HB3 ASP 34 -6.134 -9.352 -14.979 293 H GLN 35 H GLN 35 -7.089 -8.423 -11.332 294 HA GLN 35 HA GLN 35 -9.621 -8.098 -12.431 295 HB2 GLN 35 HB2 GLN 35 -8.483 -7.990 -9.692 296 HB3 GLN 35 HB3 GLN 35 -10.082 -7.293 -9.913 297 HG2 GLN 35 HG2 GLN 35 -9.381 -10.070 -10.814 298 HG3 GLN 35 HG3 GLN 35 -9.995 -9.709 -9.201 299 HE21 GLN 35 HE21 GLN 35 -11.451 -11.405 -10.568 300 HE22 GLN 35 HE22 GLN 35 -12.889 -10.679 -11.191 301 H ILE 36 H ILE 36 -7.626 -5.693 -10.723 302 HA ILE 36 HA ILE 36 -9.463 -3.558 -11.178 303 HB ILE 36 HB ILE 36 -6.543 -3.447 -10.410 304 HG12 ILE 36 HG12 ILE 36 -7.882 -2.794 -8.169 305 HG13 ILE 36 HG13 ILE 36 -9.061 -3.879 -8.898 306 HG21 ILE 36 HG21 ILE 36 -6.700 -1.250 -10.680 307 HG22 ILE 36 HG22 ILE 36 -8.400 -1.387 -11.126 308 HG23 ILE 36 HG23 ILE 36 -7.944 -1.219 -9.431 309 HD11 ILE 36 HD11 ILE 36 -7.902 -5.652 -8.267 310 HD12 ILE 36 HD12 ILE 36 -6.431 -5.025 -9.012 311 HD13 ILE 36 HD13 ILE 36 -6.847 -4.567 -7.361 312 H GLU 37 H GLU 37 -6.312 -4.410 -12.602 313 HA GLU 37 HA GLU 37 -6.057 -2.332 -14.401 314 HB2 GLU 37 HB2 GLU 37 -5.209 -5.219 -14.610 315 HB3 GLU 37 HB3 GLU 37 -4.773 -4.015 -15.815 316 HG2 GLU 37 HG2 GLU 37 -3.850 -2.686 -13.796 317 HG3 GLU 37 HG3 GLU 37 -3.894 -4.243 -12.972 318 H LYS 38 H LYS 38 -8.117 -5.140 -14.556 319 HA LYS 38 HA LYS 38 -8.898 -4.535 -17.306 320 HB2 LYS 38 HB2 LYS 38 -9.592 -6.817 -15.453 321 HB3 LYS 38 HB3 LYS 38 -10.290 -6.622 -17.055 322 HG2 LYS 38 HG2 LYS 38 -8.103 -6.825 -18.069 323 HG3 LYS 38 HG3 LYS 38 -7.350 -6.924 -16.475 324 HD2 LYS 38 HD2 LYS 38 -8.696 -8.977 -16.043 325 HD3 LYS 38 HD3 LYS 38 -9.262 -8.902 -17.713 326 HE2 LYS 38 HE2 LYS 38 -6.346 -8.991 -16.981 327 HE3 LYS 38 HE3 LYS 38 -7.305 -10.445 -17.250 328 HZ1 LYS 38 HZ1 LYS 38 -7.538 -8.478 -19.342 329 HZ2 LYS 38 HZ2 LYS 38 -7.275 -10.145 -19.450 330 HZ3 LYS 38 HZ3 LYS 38 -5.975 -9.100 -19.166 331 H TRP 39 H TRP 39 -10.017 -4.212 -14.045 332 HA TRP 39 HA TRP 39 -12.777 -3.825 -14.657 333 HB2 TRP 39 HB2 TRP 39 -12.138 -4.510 -12.427 334 HB3 TRP 39 HB3 TRP 39 -11.138 -3.073 -12.229 335 HD1 TRP 39 HD1 TRP 39 -14.728 -4.273 -12.002 336 HE1 TRP 39 HE1 TRP 39 -16.184 -2.394 -11.016 337 HE3 TRP 39 HE3 TRP 39 -11.323 -0.461 -12.118 338 HZ2 TRP 39 HZ2 TRP 39 -15.924 0.342 -10.372 339 HZ3 TRP 39 HZ3 TRP 39 -12.007 1.756 -11.299 340 HH2 TRP 39 HH2 TRP 39 -14.260 2.147 -10.445 341 H LEU 40 H LEU 40 -10.001 -1.690 -14.250 342 HA LEU 40 HA LEU 40 -11.307 0.765 -14.189 343 HB2 LEU 40 HB2 LEU 40 -8.718 -0.044 -14.152 344 HB3 LEU 40 HB3 LEU 40 -8.819 0.683 -15.754 345 HG LEU 40 HG LEU 40 -7.999 2.341 -14.259 346 HD11 LEU 40 HD11 LEU 40 -10.108 2.753 -15.859 347 HD12 LEU 40 HD12 LEU 40 -9.351 4.030 -14.906 348 HD13 LEU 40 HD13 LEU 40 -10.811 3.237 -14.315 349 HD21 LEU 40 HD21 LEU 40 -8.582 1.492 -12.132 350 HD22 LEU 40 HD22 LEU 40 -10.306 1.540 -12.502 351 HD23 LEU 40 HD23 LEU 40 -9.408 3.043 -12.283 352 H LYS 41 H LYS 41 -10.064 -1.022 -17.004 353 HA LYS 41 HA LYS 41 -11.405 0.830 -18.807 354 HB2 LYS 41 HB2 LYS 41 -9.803 -1.622 -19.536 355 HB3 LYS 41 HB3 LYS 41 -10.224 -0.271 -20.579 356 HG2 LYS 41 HG2 LYS 41 -8.856 1.177 -19.003 357 HG3 LYS 41 HG3 LYS 41 -8.250 -0.334 -18.321 358 HD2 LYS 41 HD2 LYS 41 -8.128 0.269 -21.265 359 HD3 LYS 41 HD3 LYS 41 -6.847 0.747 -20.148 360 HE2 LYS 41 HE2 LYS 41 -6.514 -1.571 -19.505 361 HE3 LYS 41 HE3 LYS 41 -7.846 -2.072 -20.546 362 HZ1 LYS 41 HZ1 LYS 41 -5.413 -0.704 -21.550 363 HZ2 LYS 41 HZ2 LYS 41 -6.623 -1.453 -22.465 364 HZ3 LYS 41 HZ3 LYS 41 -5.586 -2.387 -21.509 365 H ARG 42 H ARG 42 -13.273 -0.423 -17.317 366 HA ARG 42 HA ARG 42 -14.509 -2.259 -19.254 367 HB2 ARG 42 HB2 ARG 42 -13.575 -3.238 -16.981 368 HB3 ARG 42 HB3 ARG 42 -15.080 -2.591 -16.343 369 HG2 ARG 42 HG2 ARG 42 -15.196 -4.284 -18.781 370 HG3 ARG 42 HG3 ARG 42 -14.906 -5.061 -17.224 371 HD2 ARG 42 HD2 ARG 42 -16.967 -4.439 -16.382 372 HD3 ARG 42 HD3 ARG 42 -17.131 -3.089 -17.504 373 HE ARG 42 HE ARG 42 -18.109 -4.510 -19.003 374 HH11 ARG 42 HH11 ARG 42 -16.432 -6.386 -16.597 375 HH12 ARG 42 HH12 ARG 42 -17.044 -7.904 -17.165 376 HH21 ARG 42 HH21 ARG 42 -18.922 -6.502 -19.761 377 HH22 ARG 42 HH22 ARG 42 -18.460 -7.969 -18.965 378 H HIS 43 H HIS 43 -14.994 0.035 -16.609 379 HA HIS 43 HA HIS 43 -17.752 0.244 -16.639 380 HB2 HIS 43 HB2 HIS 43 -17.479 2.427 -15.635 381 HB3 HIS 43 HB3 HIS 43 -16.238 1.351 -14.998 382 HD1 HIS 43 HD1 HIS 43 -15.959 4.456 -14.989 383 HD2 HIS 43 HD2 HIS 43 -14.357 1.924 -17.866 384 HE1 HIS 43 HE1 HIS 43 -14.042 5.725 -16.009 Start of MODEL 8 1 HCN FME 1 HF FME 1 2.284 -1.408 3.421 2 HA FME 1 HA FME 1 1.689 -1.308 -0.767 3 HB2 FME 1 HB2 FME 1 2.684 -3.912 0.456 4 HB3 FME 1 HB3 FME 1 3.760 -2.499 0.172 5 HG2 FME 1 HG2 FME 1 2.890 -2.499 -2.294 6 HG3 FME 1 HG3 FME 1 2.188 -4.119 -1.942 7 HE1 FME 1 HE8 FME 1 5.206 -1.879 -2.435 8 HE2 FME 1 HE2 FME 1 4.865 -2.865 -3.916 9 HE3 FME 1 HE3 FME 1 6.448 -3.050 -3.040 10 H GLY 2 H GLY 2 -0.338 -1.045 -1.088 11 HA2 GLY 2 HA2 GLY 2 -2.128 -3.251 -0.282 12 HA3 GLY 2 HA3 GLY 2 -2.661 -1.604 -0.589 13 H ALA 3 H ALA 3 -0.477 -3.633 -2.506 14 HA ALA 3 HA ALA 3 -0.510 -4.209 -4.712 15 HB1 ALA 3 HB1 ALA 3 -3.390 -4.618 -3.951 16 HB2 ALA 3 HB2 ALA 3 -2.746 -5.062 -5.533 17 HB3 ALA 3 HB3 ALA 3 -2.109 -5.825 -4.076 18 H ILE 4 H ILE 4 -0.715 -1.400 -4.132 19 HA ILE 4 HA ILE 4 -2.491 -0.403 -6.240 20 HB ILE 4 HB ILE 4 -0.916 1.128 -4.166 21 HG12 ILE 4 HG12 ILE 4 -2.767 -0.211 -3.226 22 HG13 ILE 4 HG13 ILE 4 -3.073 1.517 -3.095 23 HG21 ILE 4 HG21 ILE 4 -2.253 1.952 -6.588 24 HG22 ILE 4 HG22 ILE 4 -2.963 2.722 -5.170 25 HG23 ILE 4 HG23 ILE 4 -1.237 2.886 -5.491 26 HD11 ILE 4 HD11 ILE 4 -4.276 -0.392 -5.081 27 HD12 ILE 4 HD12 ILE 4 -5.091 0.422 -3.745 28 HD13 ILE 4 HD13 ILE 4 -4.498 1.357 -5.117 29 H ALA 5 H ALA 5 0.893 -0.603 -5.322 30 HA ALA 5 HA ALA 5 2.011 1.115 -7.208 31 HB1 ALA 5 HB1 ALA 5 3.152 -1.438 -6.080 32 HB2 ALA 5 HB2 ALA 5 4.072 -0.198 -6.933 33 HB3 ALA 5 HB3 ALA 5 3.308 0.177 -5.388 34 H LYS 6 H LYS 6 1.218 -2.334 -7.476 35 HA LYS 6 HA LYS 6 2.248 -2.771 -10.037 36 HB2 LYS 6 HB2 LYS 6 -0.167 -4.082 -8.775 37 HB3 LYS 6 HB3 LYS 6 0.768 -4.715 -10.123 38 HG2 LYS 6 HG2 LYS 6 2.246 -4.124 -7.631 39 HG3 LYS 6 HG3 LYS 6 1.139 -5.498 -7.606 40 HD2 LYS 6 HD2 LYS 6 2.271 -6.297 -9.715 41 HD3 LYS 6 HD3 LYS 6 3.484 -5.044 -9.443 42 HE2 LYS 6 HE2 LYS 6 3.714 -6.086 -7.098 43 HE3 LYS 6 HE3 LYS 6 2.873 -7.471 -7.790 44 HZ1 LYS 6 HZ1 LYS 6 5.502 -7.213 -7.839 45 HZ2 LYS 6 HZ2 LYS 6 5.138 -6.441 -9.299 46 HZ3 LYS 6 HZ3 LYS 6 4.645 -8.039 -9.041 47 H LEU 7 H LEU 7 -0.705 -1.255 -8.985 48 HA LEU 7 HA LEU 7 -1.889 -1.282 -11.625 49 HB2 LEU 7 HB2 LEU 7 -2.852 0.405 -9.350 50 HB3 LEU 7 HB3 LEU 7 -3.777 -0.327 -10.660 51 HG LEU 7 HG LEU 7 -2.497 -1.910 -8.437 52 HD11 LEU 7 HD11 LEU 7 -5.300 -1.905 -8.198 53 HD12 LEU 7 HD12 LEU 7 -4.799 -0.221 -8.347 54 HD13 LEU 7 HD13 LEU 7 -4.112 -1.236 -7.079 55 HD21 LEU 7 HD21 LEU 7 -4.466 -3.446 -9.287 56 HD22 LEU 7 HD22 LEU 7 -2.891 -3.447 -10.081 57 HD23 LEU 7 HD23 LEU 7 -4.228 -2.529 -10.775 58 H VAL 8 H VAL 8 -0.421 1.091 -9.441 59 HA VAL 8 HA VAL 8 -0.788 3.327 -11.142 60 HB VAL 8 HB VAL 8 1.275 2.914 -8.972 61 HG11 VAL 8 HG11 VAL 8 0.633 5.611 -9.155 62 HG12 VAL 8 HG12 VAL 8 2.128 4.842 -9.690 63 HG13 VAL 8 HG13 VAL 8 0.802 5.082 -10.828 64 HG21 VAL 8 HG21 VAL 8 -0.542 2.886 -7.657 65 HG22 VAL 8 HG22 VAL 8 -0.610 4.619 -7.977 66 HG23 VAL 8 HG23 VAL 8 -1.593 3.507 -8.930 67 H ALA 9 H ALA 9 1.541 0.771 -11.054 68 HA ALA 9 HA ALA 9 3.735 1.923 -12.300 69 HB1 ALA 9 HB1 ALA 9 2.677 -0.806 -12.001 70 HB2 ALA 9 HB2 ALA 9 3.791 -0.563 -13.347 71 HB3 ALA 9 HB3 ALA 9 4.297 -0.174 -11.703 72 H LYS 10 H LYS 10 0.634 1.098 -13.597 73 HA LYS 10 HA LYS 10 1.598 1.715 -16.312 74 HB2 LYS 10 HB2 LYS 10 -0.942 0.248 -15.594 75 HB3 LYS 10 HB3 LYS 10 -0.224 0.419 -17.191 76 HG2 LYS 10 HG2 LYS 10 1.111 -1.027 -14.916 77 HG3 LYS 10 HG3 LYS 10 0.084 -1.816 -16.115 78 HD2 LYS 10 HD2 LYS 10 1.741 -0.494 -17.756 79 HD3 LYS 10 HD3 LYS 10 2.819 -0.716 -16.377 80 HE2 LYS 10 HE2 LYS 10 1.249 -2.961 -17.626 81 HE3 LYS 10 HE3 LYS 10 2.883 -2.531 -18.130 82 HZ1 LYS 10 HZ1 LYS 10 1.972 -3.822 -15.680 83 HZ2 LYS 10 HZ2 LYS 10 3.268 -2.745 -15.533 84 HZ3 LYS 10 HZ3 LYS 10 3.387 -4.073 -16.574 85 H PHE 11 H PHE 11 -1.007 2.264 -13.984 86 HA PHE 11 HA PHE 11 -2.401 4.147 -15.606 87 HB2 PHE 11 HB2 PHE 11 -2.517 3.689 -12.618 88 HB3 PHE 11 HB3 PHE 11 -3.661 4.655 -13.544 89 HD1 PHE 11 HD2 PHE 11 -4.019 2.945 -15.928 90 HD2 PHE 11 HD1 PHE 11 -3.805 1.940 -11.798 91 HE1 PHE 11 HE2 PHE 11 -5.372 0.935 -16.351 92 HE2 PHE 11 HE1 PHE 11 -5.158 -0.072 -12.214 93 HZ PHE 11 HZ PHE 11 -5.945 -0.577 -14.493 94 H GLY 12 H GLY 12 -0.896 4.777 -12.440 95 HA2 GLY 12 HA2 GLY 12 1.008 6.414 -12.458 96 HA3 GLY 12 HA3 GLY 12 -0.007 7.382 -13.517 97 H TRP 13 H TRP 13 0.870 8.677 -11.407 98 HA TRP 13 HA TRP 13 -0.674 8.409 -9.046 99 HB2 TRP 13 HB2 TRP 13 0.484 11.051 -9.818 100 HB3 TRP 13 HB3 TRP 13 0.483 10.240 -8.255 101 HD1 TRP 13 HD1 TRP 13 2.792 11.146 -10.895 102 HE1 TRP 13 HE1 TRP 13 4.937 9.726 -10.809 103 HE3 TRP 13 HE3 TRP 13 1.184 7.433 -7.770 104 HZ2 TRP 13 HZ2 TRP 13 5.830 7.347 -9.580 105 HZ3 TRP 13 HZ3 TRP 13 2.745 5.622 -7.190 106 HH2 TRP 13 HH2 TRP 13 5.019 5.581 -8.078 107 HA PRO 14 HA PRO 14 -3.236 12.091 -10.882 108 HB2 PRO 14 HB2 PRO 14 -2.973 12.540 -13.547 109 HB3 PRO 14 HB3 PRO 14 -1.959 13.332 -12.334 110 HG2 PRO 14 HG2 PRO 14 -1.356 10.951 -14.045 111 HG3 PRO 14 HG3 PRO 14 -0.318 12.332 -13.644 112 HD2 PRO 14 HD2 PRO 14 -0.099 9.936 -12.403 113 HD3 PRO 14 HD3 PRO 14 0.243 11.472 -11.580 114 H PHE 15 H PHE 15 -2.768 9.003 -12.195 115 HA PHE 15 HA PHE 15 -5.423 8.971 -13.446 116 HB2 PHE 15 HB2 PHE 15 -3.209 8.063 -14.546 117 HB3 PHE 15 HB3 PHE 15 -3.545 6.644 -13.559 118 HD1 PHE 15 HD2 PHE 15 -5.511 5.274 -13.979 119 HD2 PHE 15 HD1 PHE 15 -4.591 8.636 -16.422 120 HE1 PHE 15 HE2 PHE 15 -7.086 4.460 -15.686 121 HE2 PHE 15 HE1 PHE 15 -6.166 7.828 -18.132 122 HZ PHE 15 HZ PHE 15 -7.415 5.737 -17.765 123 H ILE 16 H ILE 16 -3.492 7.493 -10.914 124 HA ILE 16 HA ILE 16 -5.525 5.597 -10.172 125 HB ILE 16 HB ILE 16 -3.069 5.219 -9.813 126 HG12 ILE 16 HG12 ILE 16 -3.594 4.612 -7.211 127 HG13 ILE 16 HG13 ILE 16 -5.226 4.828 -7.836 128 HG21 ILE 16 HG21 ILE 16 -2.609 7.524 -8.988 129 HG22 ILE 16 HG22 ILE 16 -3.419 7.095 -7.482 130 HG23 ILE 16 HG23 ILE 16 -1.948 6.250 -7.965 131 HD11 ILE 16 HD11 ILE 16 -3.967 3.265 -9.742 132 HD12 ILE 16 HD12 ILE 16 -3.384 2.641 -8.199 133 HD13 ILE 16 HD13 ILE 16 -5.116 2.726 -8.518 134 H LYS 17 H LYS 17 -4.593 8.823 -9.238 135 HA LYS 17 HA LYS 17 -6.054 8.882 -6.786 136 HB2 LYS 17 HB2 LYS 17 -5.527 11.195 -6.702 137 HB3 LYS 17 HB3 LYS 17 -4.130 10.402 -7.417 138 HG2 LYS 17 HG2 LYS 17 -4.982 11.052 -9.658 139 HG3 LYS 17 HG3 LYS 17 -6.260 11.967 -8.856 140 HD2 LYS 17 HD2 LYS 17 -3.312 12.413 -8.400 141 HD3 LYS 17 HD3 LYS 17 -4.290 13.339 -9.541 142 HE2 LYS 17 HE2 LYS 17 -4.933 13.109 -6.608 143 HE3 LYS 17 HE3 LYS 17 -3.946 14.404 -7.285 144 HZ1 LYS 17 HZ1 LYS 17 -6.811 13.988 -7.438 145 HZ2 LYS 17 HZ2 LYS 17 -6.083 14.510 -8.872 146 HZ3 LYS 17 HZ3 LYS 17 -5.922 15.427 -7.460 147 H LYS 18 H LYS 18 -6.911 9.156 -10.085 148 HA LYS 18 HA LYS 18 -9.275 10.735 -9.720 149 HB2 LYS 18 HB2 LYS 18 -8.139 10.692 -11.876 150 HB3 LYS 18 HB3 LYS 18 -8.406 8.959 -12.008 151 HG2 LYS 18 HG2 LYS 18 -10.798 9.306 -12.147 152 HG3 LYS 18 HG3 LYS 18 -10.579 11.043 -11.923 153 HD2 LYS 18 HD2 LYS 18 -9.116 10.965 -14.007 154 HD3 LYS 18 HD3 LYS 18 -9.764 9.344 -14.268 155 HE2 LYS 18 HE2 LYS 18 -11.095 10.840 -15.546 156 HE3 LYS 18 HE3 LYS 18 -12.060 10.353 -14.153 157 HZ1 LYS 18 HZ1 LYS 18 -12.213 12.449 -13.491 158 HZ2 LYS 18 HZ2 LYS 18 -11.508 12.922 -14.954 159 HZ3 LYS 18 HZ3 LYS 18 -10.540 12.687 -13.586 160 H PHE 19 H PHE 19 -8.470 7.375 -9.487 161 HA PHE 19 HA PHE 19 -11.280 6.786 -8.856 162 HB2 PHE 19 HB2 PHE 19 -9.441 5.298 -10.701 163 HB3 PHE 19 HB3 PHE 19 -10.712 4.436 -9.840 164 HD1 PHE 19 HD2 PHE 19 -13.083 5.011 -10.247 165 HD2 PHE 19 HD1 PHE 19 -9.925 6.691 -12.553 166 HE1 PHE 19 HE2 PHE 19 -14.704 5.680 -11.972 167 HE2 PHE 19 HE1 PHE 19 -11.541 7.364 -14.282 168 HZ PHE 19 HZ PHE 19 -13.934 6.858 -13.993 169 H TYR 20 H TYR 20 -8.907 7.382 -7.204 170 HA TYR 20 HA TYR 20 -7.862 5.047 -6.041 171 HB2 TYR 20 HB2 TYR 20 -6.944 7.371 -5.778 172 HB3 TYR 20 HB3 TYR 20 -8.265 7.708 -4.666 173 HD1 TYR 20 HD1 TYR 20 -5.418 5.358 -5.185 174 HD2 TYR 20 HD2 TYR 20 -8.003 7.267 -2.396 175 HE1 TYR 20 HE1 TYR 20 -4.080 4.449 -3.332 176 HE2 TYR 20 HE2 TYR 20 -6.672 6.364 -0.536 177 HH TYR 20 HH TYR 20 -3.631 5.100 -0.894 178 H LYS 21 H LYS 21 -10.871 6.715 -5.606 179 HA LYS 21 HA LYS 21 -11.566 5.630 -3.078 180 HB2 LYS 21 HB2 LYS 21 -12.607 7.642 -4.247 181 HB3 LYS 21 HB3 LYS 21 -13.511 6.487 -5.218 182 HG2 LYS 21 HG2 LYS 21 -15.021 6.930 -3.563 183 HG3 LYS 21 HG3 LYS 21 -14.198 5.525 -2.882 184 HD2 LYS 21 HD2 LYS 21 -12.645 7.241 -1.759 185 HD3 LYS 21 HD3 LYS 21 -13.896 8.422 -2.156 186 HE2 LYS 21 HE2 LYS 21 -14.549 5.875 -0.710 187 HE3 LYS 21 HE3 LYS 21 -13.964 7.295 0.155 188 HZ1 LYS 21 HZ1 LYS 21 -15.845 8.498 -0.374 189 HZ2 LYS 21 HZ2 LYS 21 -16.482 6.954 -0.112 190 HZ3 LYS 21 HZ3 LYS 21 -16.251 7.516 -1.691 191 H GLN 22 H GLN 22 -11.898 4.506 -6.376 192 HA GLN 22 HA GLN 22 -13.551 2.253 -5.575 193 HB2 GLN 22 HB2 GLN 22 -13.695 3.617 -7.797 194 HB3 GLN 22 HB3 GLN 22 -12.368 2.584 -8.310 195 HG2 GLN 22 HG2 GLN 22 -14.095 1.343 -9.076 196 HG3 GLN 22 HG3 GLN 22 -13.996 0.688 -7.442 197 HE21 GLN 22 HE21 GLN 22 -16.062 1.798 -9.714 198 HE22 GLN 22 HE22 GLN 22 -17.379 2.287 -8.708 199 H ILE 23 H ILE 23 -10.341 2.789 -7.009 200 HA ILE 23 HA ILE 23 -9.509 0.143 -7.159 201 HB ILE 23 HB ILE 23 -7.816 2.574 -6.568 202 HG12 ILE 23 HG12 ILE 23 -7.889 1.327 -9.256 203 HG13 ILE 23 HG13 ILE 23 -9.339 2.196 -8.765 204 HG21 ILE 23 HG21 ILE 23 -6.578 0.603 -6.011 205 HG22 ILE 23 HG22 ILE 23 -7.068 -0.188 -7.508 206 HG23 ILE 23 HG23 ILE 23 -5.985 1.203 -7.560 207 HD11 ILE 23 HD11 ILE 23 -6.745 3.205 -9.589 208 HD12 ILE 23 HD12 ILE 23 -8.317 4.004 -9.551 209 HD13 ILE 23 HD13 ILE 23 -7.328 3.935 -8.093 210 H MET 24 H MET 24 -8.719 2.466 -4.562 211 HA MET 24 HA MET 24 -7.504 0.655 -2.837 212 HB2 MET 24 HB2 MET 24 -7.490 3.152 -2.622 213 HB3 MET 24 HB3 MET 24 -9.135 3.060 -2.008 214 HG2 MET 24 HG2 MET 24 -7.953 1.333 -0.344 215 HG3 MET 24 HG3 MET 24 -6.579 2.374 -0.707 216 HE1 MET 24 HE1 MET 24 -8.249 1.546 1.805 217 HE2 MET 24 HE2 MET 24 -7.264 2.816 2.531 218 HE3 MET 24 HE3 MET 24 -9.023 2.881 2.660 219 H GLN 25 H GLN 25 -10.855 1.169 -3.534 220 HA GLN 25 HA GLN 25 -11.863 -0.102 -1.171 221 HB2 GLN 25 HB2 GLN 25 -12.990 1.051 -3.643 222 HB3 GLN 25 HB3 GLN 25 -13.923 -0.260 -2.933 223 HG2 GLN 25 HG2 GLN 25 -14.051 0.937 -0.829 224 HG3 GLN 25 HG3 GLN 25 -13.056 2.234 -1.488 225 HE21 GLN 25 HE21 GLN 25 -15.382 2.963 -0.459 226 HE22 GLN 25 HE22 GLN 25 -16.528 3.360 -1.689 227 H PHE 26 H PHE 26 -10.774 -1.150 -4.284 228 HA PHE 26 HA PHE 26 -12.071 -3.708 -4.213 229 HB2 PHE 26 HB2 PHE 26 -9.875 -2.554 -5.929 230 HB3 PHE 26 HB3 PHE 26 -10.438 -4.213 -6.104 231 HD1 PHE 26 HD2 PHE 26 -13.315 -3.965 -5.781 232 HD2 PHE 26 HD1 PHE 26 -10.573 -1.420 -7.811 233 HE1 PHE 26 HE2 PHE 26 -15.127 -3.195 -7.255 234 HE2 PHE 26 HE1 PHE 26 -12.382 -0.644 -9.288 235 HZ PHE 26 HZ PHE 26 -14.662 -1.533 -9.012 236 H ILE 27 H ILE 27 -8.933 -2.430 -3.296 237 HA ILE 27 HA ILE 27 -7.545 -4.827 -2.938 238 HB ILE 27 HB ILE 27 -7.237 -2.321 -1.282 239 HG12 ILE 27 HG12 ILE 27 -7.116 -1.779 -3.654 240 HG13 ILE 27 HG13 ILE 27 -5.509 -1.692 -2.939 241 HG21 ILE 27 HG21 ILE 27 -6.025 -4.791 -1.001 242 HG22 ILE 27 HG22 ILE 27 -4.845 -3.839 -1.900 243 HG23 ILE 27 HG23 ILE 27 -5.445 -3.260 -0.347 244 HD11 ILE 27 HD11 ILE 27 -5.729 -4.301 -3.856 245 HD12 ILE 27 HD12 ILE 27 -6.471 -3.312 -5.114 246 HD13 ILE 27 HD13 ILE 27 -4.818 -2.984 -4.594 247 H GLY 28 H GLY 28 -9.567 -2.994 -0.662 248 HA2 GLY 28 HA2 GLY 28 -9.155 -4.755 1.531 249 HA3 GLY 28 HA3 GLY 28 -10.438 -3.562 1.389 250 H GLN 29 H GLN 29 -11.146 -4.952 -1.260 251 HA GLN 29 HA GLN 29 -13.089 -6.732 -0.089 252 HB2 GLN 29 HB2 GLN 29 -13.857 -5.337 -1.871 253 HB3 GLN 29 HB3 GLN 29 -12.548 -5.855 -2.924 254 HG2 GLN 29 HG2 GLN 29 -14.603 -6.896 -3.606 255 HG3 GLN 29 HG3 GLN 29 -13.502 -8.117 -2.968 256 HE21 GLN 29 HE21 GLN 29 -16.597 -6.857 -2.844 257 HE22 GLN 29 HE22 GLN 29 -17.146 -7.651 -1.411 258 H GLY 30 H GLY 30 -10.074 -6.999 -1.812 259 HA2 GLY 30 HA2 GLY 30 -8.790 -9.040 -1.475 260 HA3 GLY 30 HA3 GLY 30 -10.297 -9.935 -1.601 261 H TRP 31 H TRP 31 -9.773 -7.311 -3.778 262 HA TRP 31 HA TRP 31 -9.900 -9.083 -6.031 263 HB2 TRP 31 HB2 TRP 31 -9.790 -6.114 -5.662 264 HB3 TRP 31 HB3 TRP 31 -9.462 -6.796 -7.252 265 HD1 TRP 31 HD1 TRP 31 -12.096 -8.443 -5.046 266 HE1 TRP 31 HE1 TRP 31 -14.414 -8.069 -6.098 267 HE3 TRP 31 HE3 TRP 31 -10.791 -5.152 -8.734 268 HZ2 TRP 31 HZ2 TRP 31 -15.541 -6.576 -8.212 269 HZ3 TRP 31 HZ3 TRP 31 -12.549 -4.299 -10.229 270 HH2 TRP 31 HH2 TRP 31 -14.874 -4.998 -9.972 271 H THR 32 H THR 32 -8.299 -9.754 -7.348 272 HA THR 32 HA THR 32 -5.611 -9.610 -6.452 273 HB THR 32 HB THR 32 -5.111 -10.679 -8.720 274 HG1 THR 32 HG1 THR 32 -7.917 -11.033 -8.861 275 HG21 THR 32 HG21 THR 32 -6.152 -11.721 -6.358 276 HG22 THR 32 HG22 THR 32 -5.350 -12.622 -7.645 277 HG23 THR 32 HG23 THR 32 -7.107 -12.473 -7.634 278 H ILE 33 H ILE 33 -3.821 -9.032 -8.089 279 HA ILE 33 HA ILE 33 -3.948 -6.250 -8.569 280 HB ILE 33 HB ILE 33 -1.953 -8.259 -9.622 281 HG12 ILE 33 HG12 ILE 33 -1.598 -6.409 -7.271 282 HG13 ILE 33 HG13 ILE 33 -2.289 -8.017 -7.083 283 HG21 ILE 33 HG21 ILE 33 -1.880 -6.211 -10.904 284 HG22 ILE 33 HG22 ILE 33 -1.812 -5.254 -9.425 285 HG23 ILE 33 HG23 ILE 33 -0.464 -6.306 -9.857 286 HD11 ILE 33 HD11 ILE 33 -0.222 -8.947 -8.103 287 HD12 ILE 33 HD12 ILE 33 0.461 -7.321 -8.073 288 HD13 ILE 33 HD13 ILE 33 0.031 -8.125 -6.564 289 H ASP 34 H ASP 34 -4.711 -9.012 -10.508 290 HA ASP 34 HA ASP 34 -4.635 -7.568 -13.012 291 HB2 ASP 34 HB2 ASP 34 -5.378 -10.362 -12.202 292 HB3 ASP 34 HB3 ASP 34 -5.815 -9.756 -13.797 293 H GLN 35 H GLN 35 -6.944 -8.323 -10.543 294 HA GLN 35 HA GLN 35 -9.334 -8.080 -11.968 295 HB2 GLN 35 HB2 GLN 35 -8.569 -7.632 -9.107 296 HB3 GLN 35 HB3 GLN 35 -10.185 -7.207 -9.654 297 HG2 GLN 35 HG2 GLN 35 -9.053 -9.924 -10.182 298 HG3 GLN 35 HG3 GLN 35 -9.783 -9.529 -8.627 299 HE21 GLN 35 HE21 GLN 35 -11.559 -10.798 -8.767 300 HE22 GLN 35 HE22 GLN 35 -12.809 -10.587 -9.941 301 H ILE 36 H ILE 36 -7.419 -5.600 -10.294 302 HA ILE 36 HA ILE 36 -9.166 -3.463 -11.029 303 HB ILE 36 HB ILE 36 -6.306 -3.360 -10.062 304 HG12 ILE 36 HG12 ILE 36 -7.747 -2.522 -7.968 305 HG13 ILE 36 HG13 ILE 36 -8.943 -3.583 -8.703 306 HG21 ILE 36 HG21 ILE 36 -6.477 -1.233 -10.775 307 HG22 ILE 36 HG22 ILE 36 -8.237 -1.288 -10.843 308 HG23 ILE 36 HG23 ILE 36 -7.423 -1.017 -9.302 309 HD11 ILE 36 HD11 ILE 36 -7.757 -5.464 -8.241 310 HD12 ILE 36 HD12 ILE 36 -6.200 -4.638 -8.317 311 HD13 ILE 36 HD13 ILE 36 -7.232 -4.447 -6.899 312 H GLU 37 H GLU 37 -5.893 -4.390 -12.103 313 HA GLU 37 HA GLU 37 -5.530 -2.484 -14.065 314 HB2 GLU 37 HB2 GLU 37 -4.576 -5.330 -13.853 315 HB3 GLU 37 HB3 GLU 37 -4.115 -4.305 -15.204 316 HG2 GLU 37 HG2 GLU 37 -3.282 -2.651 -13.467 317 HG3 GLU 37 HG3 GLU 37 -3.463 -3.957 -12.298 318 H LYS 38 H LYS 38 -7.497 -5.359 -14.127 319 HA LYS 38 HA LYS 38 -8.017 -5.085 -16.984 320 HB2 LYS 38 HB2 LYS 38 -7.689 -7.320 -15.737 321 HB3 LYS 38 HB3 LYS 38 -9.326 -7.074 -15.144 322 HG2 LYS 38 HG2 LYS 38 -10.248 -7.228 -17.295 323 HG3 LYS 38 HG3 LYS 38 -8.676 -7.025 -18.072 324 HD2 LYS 38 HD2 LYS 38 -9.064 -9.343 -16.245 325 HD3 LYS 38 HD3 LYS 38 -9.809 -9.402 -17.844 326 HE2 LYS 38 HE2 LYS 38 -6.906 -8.732 -17.435 327 HE3 LYS 38 HE3 LYS 38 -7.476 -10.390 -17.623 328 HZ1 LYS 38 HZ1 LYS 38 -7.180 -8.309 -19.600 329 HZ2 LYS 38 HZ2 LYS 38 -8.644 -9.150 -19.702 330 HZ3 LYS 38 HZ3 LYS 38 -7.178 -9.990 -19.789 331 H TRP 39 H TRP 39 -9.454 -4.353 -13.921 332 HA TRP 39 HA TRP 39 -12.144 -4.108 -14.773 333 HB2 TRP 39 HB2 TRP 39 -11.680 -4.310 -12.424 334 HB3 TRP 39 HB3 TRP 39 -10.650 -2.881 -12.451 335 HD1 TRP 39 HD1 TRP 39 -14.285 -3.943 -12.227 336 HE1 TRP 39 HE1 TRP 39 -15.735 -1.879 -11.717 337 HE3 TRP 39 HE3 TRP 39 -10.755 -0.297 -12.850 338 HZ2 TRP 39 HZ2 TRP 39 -15.425 0.924 -11.596 339 HZ3 TRP 39 HZ3 TRP 39 -11.414 2.050 -12.519 340 HH2 TRP 39 HH2 TRP 39 -13.701 2.646 -11.906 341 H LEU 40 H LEU 40 -9.442 -1.843 -14.617 342 HA LEU 40 HA LEU 40 -10.746 0.542 -15.108 343 HB2 LEU 40 HB2 LEU 40 -8.168 -0.189 -14.841 344 HB3 LEU 40 HB3 LEU 40 -8.219 0.123 -16.575 345 HG LEU 40 HG LEU 40 -7.445 2.102 -15.509 346 HD11 LEU 40 HD11 LEU 40 -9.518 2.089 -17.215 347 HD12 LEU 40 HD12 LEU 40 -8.769 3.563 -16.603 348 HD13 LEU 40 HD13 LEU 40 -10.246 2.952 -15.860 349 HD21 LEU 40 HD21 LEU 40 -8.104 1.779 -13.255 350 HD22 LEU 40 HD22 LEU 40 -9.814 1.759 -13.685 351 HD23 LEU 40 HD23 LEU 40 -8.892 3.258 -13.803 352 H LYS 41 H LYS 41 -9.448 -1.753 -17.501 353 HA LYS 41 HA LYS 41 -10.187 -0.383 -19.805 354 HB2 LYS 41 HB2 LYS 41 -9.730 -3.273 -19.169 355 HB3 LYS 41 HB3 LYS 41 -10.363 -2.828 -20.748 356 HG2 LYS 41 HG2 LYS 41 -8.403 -1.324 -21.039 357 HG3 LYS 41 HG3 LYS 41 -7.751 -1.963 -19.528 358 HD2 LYS 41 HD2 LYS 41 -6.732 -3.166 -21.321 359 HD3 LYS 41 HD3 LYS 41 -7.885 -4.251 -20.540 360 HE2 LYS 41 HE2 LYS 41 -8.019 -4.413 -22.974 361 HE3 LYS 41 HE3 LYS 41 -9.519 -3.790 -22.289 362 HZ1 LYS 41 HZ1 LYS 41 -8.358 -2.664 -24.350 363 HZ2 LYS 41 HZ2 LYS 41 -7.511 -1.845 -23.137 364 HZ3 LYS 41 HZ3 LYS 41 -9.199 -1.753 -23.199 365 H ARG 42 H ARG 42 -12.112 -2.213 -17.575 366 HA ARG 42 HA ARG 42 -14.360 -2.511 -19.346 367 HB2 ARG 42 HB2 ARG 42 -13.800 -4.063 -17.428 368 HB3 ARG 42 HB3 ARG 42 -14.345 -2.792 -16.341 369 HG2 ARG 42 HG2 ARG 42 -16.145 -3.761 -18.516 370 HG3 ARG 42 HG3 ARG 42 -15.967 -4.695 -17.029 371 HD2 ARG 42 HD2 ARG 42 -16.432 -2.443 -15.844 372 HD3 ARG 42 HD3 ARG 42 -17.064 -1.934 -17.410 373 HE ARG 42 HE ARG 42 -18.292 -3.745 -15.553 374 HH11 ARG 42 HH11 ARG 42 -18.060 -2.811 -18.899 375 HH12 ARG 42 HH12 ARG 42 -19.621 -3.437 -19.317 376 HH21 ARG 42 HH21 ARG 42 -20.349 -4.573 -16.091 377 HH22 ARG 42 HH22 ARG 42 -20.922 -4.438 -17.719 378 H HIS 43 H HIS 43 -13.518 -0.419 -16.613 379 HA HIS 43 HA HIS 43 -15.221 1.667 -17.626 380 HB2 HIS 43 HB2 HIS 43 -16.866 0.333 -16.400 381 HB3 HIS 43 HB3 HIS 43 -15.857 0.391 -14.957 382 HD1 HIS 43 HD1 HIS 43 -15.500 2.890 -13.952 383 HD2 HIS 43 HD2 HIS 43 -18.657 2.368 -16.601 384 HE1 HIS 43 HE1 HIS 43 -17.009 4.870 -13.597 Start of MODEL 9 1 HCN FME 1 HF FME 1 -2.785 -2.971 -0.453 2 HA FME 1 HA FME 1 0.231 -0.838 -0.757 3 HB2 FME 1 HB2 FME 1 1.014 -1.642 2.084 4 HB3 FME 1 HB3 FME 1 0.408 -0.068 1.459 5 HG2 FME 1 HG2 FME 1 2.530 0.014 -0.053 6 HG3 FME 1 HG3 FME 1 3.165 -1.363 0.918 7 HE1 FME 1 HE8 FME 1 3.257 -1.488 3.322 8 HE2 FME 1 HE2 FME 1 3.846 -0.140 4.379 9 HE3 FME 1 HE3 FME 1 4.849 -0.700 2.970 10 H GLY 2 H GLY 2 0.312 -2.203 -2.460 11 HA2 GLY 2 HA2 GLY 2 2.782 -3.261 -2.985 12 HA3 GLY 2 HA3 GLY 2 1.855 -4.619 -2.365 13 H ALA 3 H ALA 3 -0.660 -3.927 -3.455 14 HA ALA 3 HA ALA 3 -0.242 -4.835 -6.167 15 HB1 ALA 3 HB1 ALA 3 -2.616 -4.521 -4.384 16 HB2 ALA 3 HB2 ALA 3 -2.846 -4.701 -6.124 17 HB3 ALA 3 HB3 ALA 3 -2.012 -5.958 -5.210 18 H ILE 4 H ILE 4 -1.287 -1.915 -4.529 19 HA ILE 4 HA ILE 4 -2.464 -0.505 -6.586 20 HB ILE 4 HB ILE 4 -0.624 0.609 -4.465 21 HG12 ILE 4 HG12 ILE 4 -2.507 -0.697 -3.552 22 HG13 ILE 4 HG13 ILE 4 -2.668 1.018 -3.189 23 HG21 ILE 4 HG21 ILE 4 -0.872 2.306 -6.059 24 HG22 ILE 4 HG22 ILE 4 -2.561 1.901 -6.357 25 HG23 ILE 4 HG23 ILE 4 -2.092 2.667 -4.839 26 HD11 ILE 4 HD11 ILE 4 -3.997 0.507 -5.640 27 HD12 ILE 4 HD12 ILE 4 -4.516 -0.696 -4.460 28 HD13 ILE 4 HD13 ILE 4 -4.677 1.022 -4.097 29 H ALA 5 H ALA 5 0.983 -0.841 -5.845 30 HA ALA 5 HA ALA 5 2.011 0.945 -7.714 31 HB1 ALA 5 HB1 ALA 5 3.921 -0.971 -7.686 32 HB2 ALA 5 HB2 ALA 5 3.721 0.251 -6.430 33 HB3 ALA 5 HB3 ALA 5 3.039 -1.360 -6.209 34 H LYS 6 H LYS 6 0.825 -2.326 -8.116 35 HA LYS 6 HA LYS 6 1.856 -2.714 -10.744 36 HB2 LYS 6 HB2 LYS 6 -0.520 -4.086 -9.478 37 HB3 LYS 6 HB3 LYS 6 0.454 -4.676 -10.819 38 HG2 LYS 6 HG2 LYS 6 1.579 -4.195 -8.075 39 HG3 LYS 6 HG3 LYS 6 0.886 -5.738 -8.578 40 HD2 LYS 6 HD2 LYS 6 2.994 -4.448 -10.257 41 HD3 LYS 6 HD3 LYS 6 3.458 -5.315 -8.791 42 HE2 LYS 6 HE2 LYS 6 1.762 -6.489 -10.989 43 HE3 LYS 6 HE3 LYS 6 3.509 -6.693 -10.875 44 HZ1 LYS 6 HZ1 LYS 6 2.357 -8.579 -9.926 45 HZ2 LYS 6 HZ2 LYS 6 1.519 -7.575 -8.854 46 HZ3 LYS 6 HZ3 LYS 6 3.196 -7.748 -8.714 47 H LEU 7 H LEU 7 -1.002 -1.226 -9.433 48 HA LEU 7 HA LEU 7 -2.374 -1.140 -11.978 49 HB2 LEU 7 HB2 LEU 7 -3.154 0.501 -9.608 50 HB3 LEU 7 HB3 LEU 7 -4.175 -0.229 -10.845 51 HG LEU 7 HG LEU 7 -2.724 -1.803 -8.722 52 HD11 LEU 7 HD11 LEU 7 -5.528 -1.819 -8.342 53 HD12 LEU 7 HD12 LEU 7 -5.013 -0.137 -8.459 54 HD13 LEU 7 HD13 LEU 7 -4.277 -1.202 -7.262 55 HD21 LEU 7 HD21 LEU 7 -4.668 -3.402 -9.431 56 HD22 LEU 7 HD22 LEU 7 -3.189 -3.316 -10.389 57 HD23 LEU 7 HD23 LEU 7 -4.636 -2.454 -10.918 58 H VAL 8 H VAL 8 -0.779 1.169 -9.804 59 HA VAL 8 HA VAL 8 -1.204 3.442 -11.440 60 HB VAL 8 HB VAL 8 0.980 3.004 -9.399 61 HG11 VAL 8 HG11 VAL 8 0.204 5.679 -9.440 62 HG12 VAL 8 HG12 VAL 8 1.706 4.998 -10.070 63 HG13 VAL 8 HG13 VAL 8 0.317 5.212 -11.136 64 HG21 VAL 8 HG21 VAL 8 -0.758 2.829 -7.985 65 HG22 VAL 8 HG22 VAL 8 -0.877 4.577 -8.190 66 HG23 VAL 8 HG23 VAL 8 -1.901 3.505 -9.146 67 H ALA 9 H ALA 9 0.972 0.815 -11.655 68 HA ALA 9 HA ALA 9 3.205 1.940 -12.868 69 HB1 ALA 9 HB1 ALA 9 2.023 -0.718 -12.666 70 HB2 ALA 9 HB2 ALA 9 2.947 -0.473 -14.148 71 HB3 ALA 9 HB3 ALA 9 3.712 -0.217 -12.580 72 H LYS 10 H LYS 10 0.011 1.472 -14.100 73 HA LYS 10 HA LYS 10 0.921 2.354 -16.761 74 HB2 LYS 10 HB2 LYS 10 -1.485 0.647 -16.095 75 HB3 LYS 10 HB3 LYS 10 -1.041 1.202 -17.703 76 HG2 LYS 10 HG2 LYS 10 -0.118 -0.854 -17.808 77 HG3 LYS 10 HG3 LYS 10 1.237 -0.019 -17.046 78 HD2 LYS 10 HD2 LYS 10 0.045 -0.674 -14.827 79 HD3 LYS 10 HD3 LYS 10 -0.778 -1.870 -15.832 80 HE2 LYS 10 HE2 LYS 10 2.217 -1.568 -15.680 81 HE3 LYS 10 HE3 LYS 10 1.292 -2.698 -14.692 82 HZ1 LYS 10 HZ1 LYS 10 1.840 -2.766 -17.571 83 HZ2 LYS 10 HZ2 LYS 10 0.391 -3.435 -17.014 84 HZ3 LYS 10 HZ3 LYS 10 1.869 -4.023 -16.440 85 H PHE 11 H PHE 11 -1.744 2.483 -14.420 86 HA PHE 11 HA PHE 11 -3.230 4.487 -15.719 87 HB2 PHE 11 HB2 PHE 11 -3.100 3.855 -12.763 88 HB3 PHE 11 HB3 PHE 11 -4.363 4.786 -13.561 89 HD1 PHE 11 HD2 PHE 11 -4.733 3.132 -16.010 90 HD2 PHE 11 HD1 PHE 11 -4.275 2.025 -11.926 91 HE1 PHE 11 HE2 PHE 11 -5.991 1.061 -16.434 92 HE2 PHE 11 HE1 PHE 11 -5.532 -0.049 -12.344 93 HZ PHE 11 HZ PHE 11 -6.392 -0.533 -14.600 94 H GLY 12 H GLY 12 -1.493 4.945 -12.643 95 HA2 GLY 12 HA2 GLY 12 0.341 6.639 -12.647 96 HA3 GLY 12 HA3 GLY 12 -0.741 7.636 -13.608 97 H TRP 13 H TRP 13 0.185 8.864 -11.494 98 HA TRP 13 HA TRP 13 -1.229 8.435 -9.073 99 HB2 TRP 13 HB2 TRP 13 -0.193 11.146 -9.770 100 HB3 TRP 13 HB3 TRP 13 -0.085 10.259 -8.252 101 HD1 TRP 13 HD1 TRP 13 2.049 11.372 -10.961 102 HE1 TRP 13 HE1 TRP 13 4.239 10.025 -11.059 103 HE3 TRP 13 HE3 TRP 13 0.730 7.459 -7.946 104 HZ2 TRP 13 HZ2 TRP 13 5.272 7.621 -9.999 105 HZ3 TRP 13 HZ3 TRP 13 2.377 5.676 -7.540 106 HH2 TRP 13 HH2 TRP 13 4.600 5.757 -8.547 107 HA PRO 14 HA PRO 14 -3.987 12.114 -10.606 108 HB2 PRO 14 HB2 PRO 14 -3.867 12.698 -13.254 109 HB3 PRO 14 HB3 PRO 14 -2.820 13.463 -12.053 110 HG2 PRO 14 HG2 PRO 14 -2.229 11.187 -13.906 111 HG3 PRO 14 HG3 PRO 14 -1.216 12.581 -13.486 112 HD2 PRO 14 HD2 PRO 14 -0.864 10.136 -12.376 113 HD3 PRO 14 HD3 PRO 14 -0.530 11.642 -11.496 114 H PHE 15 H PHE 15 -3.490 9.109 -12.092 115 HA PHE 15 HA PHE 15 -6.195 9.051 -13.227 116 HB2 PHE 15 HB2 PHE 15 -3.996 8.244 -14.441 117 HB3 PHE 15 HB3 PHE 15 -4.274 6.777 -13.508 118 HD1 PHE 15 HD2 PHE 15 -6.240 5.396 -13.918 119 HD2 PHE 15 HD1 PHE 15 -5.439 8.866 -16.251 120 HE1 PHE 15 HE2 PHE 15 -7.856 4.630 -15.607 121 HE2 PHE 15 HE1 PHE 15 -7.056 8.105 -17.943 122 HZ PHE 15 HZ PHE 15 -8.266 5.984 -17.623 123 H ILE 16 H ILE 16 -4.087 7.382 -10.937 124 HA ILE 16 HA ILE 16 -6.026 5.437 -10.170 125 HB ILE 16 HB ILE 16 -3.554 5.163 -9.878 126 HG12 ILE 16 HG12 ILE 16 -4.024 4.504 -7.251 127 HG13 ILE 16 HG13 ILE 16 -5.654 4.577 -7.912 128 HG21 ILE 16 HG21 ILE 16 -3.203 7.477 -8.988 129 HG22 ILE 16 HG22 ILE 16 -3.907 6.931 -7.467 130 HG23 ILE 16 HG23 ILE 16 -2.415 6.201 -8.060 131 HD11 ILE 16 HD11 ILE 16 -4.249 3.147 -9.804 132 HD12 ILE 16 HD12 ILE 16 -3.592 2.580 -8.268 133 HD13 ILE 16 HD13 ILE 16 -5.326 2.488 -8.574 134 H LYS 17 H LYS 17 -5.236 8.667 -9.124 135 HA LYS 17 HA LYS 17 -6.636 8.558 -6.641 136 HB2 LYS 17 HB2 LYS 17 -6.267 10.913 -6.509 137 HB3 LYS 17 HB3 LYS 17 -4.823 10.202 -7.217 138 HG2 LYS 17 HG2 LYS 17 -5.596 10.871 -9.444 139 HG3 LYS 17 HG3 LYS 17 -7.026 11.607 -8.717 140 HD2 LYS 17 HD2 LYS 17 -5.304 12.932 -7.295 141 HD3 LYS 17 HD3 LYS 17 -4.161 12.466 -8.557 142 HE2 LYS 17 HE2 LYS 17 -5.396 13.597 -10.224 143 HE3 LYS 17 HE3 LYS 17 -6.794 13.786 -9.167 144 HZ1 LYS 17 HZ1 LYS 17 -5.490 15.284 -7.782 145 HZ2 LYS 17 HZ2 LYS 17 -5.576 15.853 -9.372 146 HZ3 LYS 17 HZ3 LYS 17 -4.160 15.114 -8.814 147 H LYS 18 H LYS 18 -7.594 8.910 -9.907 148 HA LYS 18 HA LYS 18 -9.997 10.379 -9.490 149 HB2 LYS 18 HB2 LYS 18 -8.796 8.819 -11.721 150 HB3 LYS 18 HB3 LYS 18 -10.531 9.101 -11.775 151 HG2 LYS 18 HG2 LYS 18 -10.163 11.501 -11.652 152 HG3 LYS 18 HG3 LYS 18 -8.421 11.238 -11.549 153 HD2 LYS 18 HD2 LYS 18 -8.327 10.387 -13.758 154 HD3 LYS 18 HD3 LYS 18 -10.084 10.248 -13.854 155 HE2 LYS 18 HE2 LYS 18 -9.731 12.177 -15.050 156 HE3 LYS 18 HE3 LYS 18 -10.009 12.830 -13.436 157 HZ1 LYS 18 HZ1 LYS 18 -7.255 12.188 -13.960 158 HZ2 LYS 18 HZ2 LYS 18 -7.933 13.600 -13.320 159 HZ3 LYS 18 HZ3 LYS 18 -7.870 13.376 -14.996 160 H PHE 19 H PHE 19 -9.139 6.991 -9.374 161 HA PHE 19 HA PHE 19 -11.868 6.394 -8.457 162 HB2 PHE 19 HB2 PHE 19 -10.180 4.702 -10.311 163 HB3 PHE 19 HB3 PHE 19 -11.690 4.175 -9.576 164 HD1 PHE 19 HD2 PHE 19 -10.180 6.497 -11.995 165 HD2 PHE 19 HD1 PHE 19 -13.793 4.887 -10.423 166 HE1 PHE 19 HE2 PHE 19 -11.430 7.476 -13.875 167 HE2 PHE 19 HE1 PHE 19 -15.049 5.863 -12.301 168 HZ PHE 19 HZ PHE 19 -13.868 7.160 -14.029 169 H TYR 20 H TYR 20 -9.387 6.973 -7.005 170 HA TYR 20 HA TYR 20 -8.221 4.611 -6.003 171 HB2 TYR 20 HB2 TYR 20 -7.167 6.812 -5.759 172 HB3 TYR 20 HB3 TYR 20 -8.470 7.327 -4.693 173 HD1 TYR 20 HD1 TYR 20 -5.518 5.151 -4.997 174 HD2 TYR 20 HD2 TYR 20 -8.535 6.639 -2.392 175 HE1 TYR 20 HE1 TYR 20 -4.263 4.293 -3.063 176 HE2 TYR 20 HE2 TYR 20 -7.288 5.788 -0.451 177 HH TYR 20 HH TYR 20 -5.596 4.415 0.192 178 H LYS 21 H LYS 21 -11.135 6.336 -5.189 179 HA LYS 21 HA LYS 21 -11.628 5.317 -2.636 180 HB2 LYS 21 HB2 LYS 21 -12.904 7.153 -3.766 181 HB3 LYS 21 HB3 LYS 21 -13.700 5.931 -4.749 182 HG2 LYS 21 HG2 LYS 21 -15.195 6.441 -3.010 183 HG3 LYS 21 HG3 LYS 21 -14.482 4.883 -2.589 184 HD2 LYS 21 HD2 LYS 21 -14.374 6.033 -0.582 185 HD3 LYS 21 HD3 LYS 21 -12.770 6.315 -1.261 186 HE2 LYS 21 HE2 LYS 21 -14.924 8.257 -1.909 187 HE3 LYS 21 HE3 LYS 21 -14.251 8.284 -0.279 188 HZ1 LYS 21 HZ1 LYS 21 -12.808 9.683 -1.290 189 HZ2 LYS 21 HZ2 LYS 21 -12.998 8.985 -2.819 190 HZ3 LYS 21 HZ3 LYS 21 -12.015 8.236 -1.663 191 H GLN 22 H GLN 22 -12.194 3.933 -5.817 192 HA GLN 22 HA GLN 22 -13.529 1.612 -4.681 193 HB2 GLN 22 HB2 GLN 22 -12.853 2.373 -7.524 194 HB3 GLN 22 HB3 GLN 22 -13.653 0.872 -7.079 195 HG2 GLN 22 HG2 GLN 22 -15.477 2.205 -6.061 196 HG3 GLN 22 HG3 GLN 22 -14.694 3.664 -6.665 197 HE21 GLN 22 HE21 GLN 22 -15.057 4.287 -8.703 198 HE22 GLN 22 HE22 GLN 22 -15.978 3.395 -9.861 199 H ILE 23 H ILE 23 -10.547 2.372 -6.446 200 HA ILE 23 HA ILE 23 -9.478 -0.156 -6.707 201 HB ILE 23 HB ILE 23 -7.979 2.392 -6.089 202 HG12 ILE 23 HG12 ILE 23 -8.154 1.207 -8.817 203 HG13 ILE 23 HG13 ILE 23 -9.571 2.049 -8.200 204 HG21 ILE 23 HG21 ILE 23 -6.561 0.494 -5.679 205 HG22 ILE 23 HG22 ILE 23 -7.028 -0.237 -7.214 206 HG23 ILE 23 HG23 ILE 23 -6.077 1.248 -7.197 207 HD11 ILE 23 HD11 ILE 23 -7.103 3.108 -9.247 208 HD12 ILE 23 HD12 ILE 23 -8.641 3.916 -8.941 209 HD13 ILE 23 HD13 ILE 23 -7.458 3.753 -7.644 210 H MET 24 H MET 24 -8.607 2.116 -4.093 211 HA MET 24 HA MET 24 -7.231 0.300 -2.510 212 HB2 MET 24 HB2 MET 24 -7.378 1.888 -0.755 213 HB3 MET 24 HB3 MET 24 -7.337 2.817 -2.247 214 HG2 MET 24 HG2 MET 24 -9.050 3.906 -1.298 215 HG3 MET 24 HG3 MET 24 -9.989 2.562 -1.942 216 HE1 MET 24 HE1 MET 24 -8.254 4.178 1.003 217 HE2 MET 24 HE2 MET 24 -9.941 4.679 1.120 218 HE3 MET 24 HE3 MET 24 -9.232 3.666 2.379 219 H GLN 25 H GLN 25 -10.647 0.758 -2.918 220 HA GLN 25 HA GLN 25 -11.418 -0.655 -0.544 221 HB2 GLN 25 HB2 GLN 25 -12.786 0.594 -2.847 222 HB3 GLN 25 HB3 GLN 25 -13.630 -0.757 -2.104 223 HG2 GLN 25 HG2 GLN 25 -12.655 1.691 -0.650 224 HG3 GLN 25 HG3 GLN 25 -14.311 1.411 -1.184 225 HE21 GLN 25 HE21 GLN 25 -12.547 1.470 1.460 226 HE22 GLN 25 HE22 GLN 25 -13.289 0.220 2.394 227 H PHE 26 H PHE 26 -10.683 -1.495 -3.837 228 HA PHE 26 HA PHE 26 -11.903 -4.080 -3.779 229 HB2 PHE 26 HB2 PHE 26 -9.872 -2.813 -5.619 230 HB3 PHE 26 HB3 PHE 26 -10.472 -4.453 -5.843 231 HD1 PHE 26 HD2 PHE 26 -13.306 -4.185 -5.218 232 HD2 PHE 26 HD1 PHE 26 -10.723 -1.574 -7.370 233 HE1 PHE 26 HE2 PHE 26 -15.237 -3.308 -6.465 234 HE2 PHE 26 HE1 PHE 26 -12.650 -0.692 -8.619 235 HZ PHE 26 HZ PHE 26 -14.911 -1.559 -8.169 236 H ILE 27 H ILE 27 -8.666 -2.822 -3.178 237 HA ILE 27 HA ILE 27 -7.255 -5.219 -3.051 238 HB ILE 27 HB ILE 27 -6.793 -2.749 -1.375 239 HG12 ILE 27 HG12 ILE 27 -6.838 -2.214 -3.755 240 HG13 ILE 27 HG13 ILE 27 -5.187 -2.127 -3.149 241 HG21 ILE 27 HG21 ILE 27 -5.486 -5.290 -1.437 242 HG22 ILE 27 HG22 ILE 27 -4.383 -4.049 -2.031 243 HG23 ILE 27 HG23 ILE 27 -5.127 -3.879 -0.442 244 HD11 ILE 27 HD11 ILE 27 -5.218 -3.182 -5.308 245 HD12 ILE 27 HD12 ILE 27 -4.764 -4.365 -4.081 246 HD13 ILE 27 HD13 ILE 27 -6.396 -4.369 -4.749 247 H GLY 28 H GLY 28 -8.858 -3.437 -0.412 248 HA2 GLY 28 HA2 GLY 28 -8.276 -5.369 1.582 249 HA3 GLY 28 HA3 GLY 28 -9.493 -4.105 1.693 250 H GLN 29 H GLN 29 -10.637 -5.274 -0.910 251 HA GLN 29 HA GLN 29 -12.537 -6.987 0.398 252 HB2 GLN 29 HB2 GLN 29 -13.388 -5.490 -1.257 253 HB3 GLN 29 HB3 GLN 29 -12.233 -6.057 -2.455 254 HG2 GLN 29 HG2 GLN 29 -14.413 -6.941 -2.944 255 HG3 GLN 29 HG3 GLN 29 -13.338 -8.250 -2.456 256 HE21 GLN 29 HE21 GLN 29 -16.149 -6.412 -1.679 257 HE22 GLN 29 HE22 GLN 29 -16.663 -7.363 -0.332 258 H GLY 30 H GLY 30 -9.701 -7.404 -1.551 259 HA2 GLY 30 HA2 GLY 30 -8.563 -9.549 -1.392 260 HA3 GLY 30 HA3 GLY 30 -10.140 -10.322 -1.456 261 H TRP 31 H TRP 31 -9.643 -7.650 -3.554 262 HA TRP 31 HA TRP 31 -9.959 -9.339 -5.860 263 HB2 TRP 31 HB2 TRP 31 -9.833 -6.391 -5.375 264 HB3 TRP 31 HB3 TRP 31 -9.580 -6.995 -7.010 265 HD1 TRP 31 HD1 TRP 31 -12.089 -8.776 -4.766 266 HE1 TRP 31 HE1 TRP 31 -14.460 -8.368 -5.679 267 HE3 TRP 31 HE3 TRP 31 -10.994 -5.280 -8.332 268 HZ2 TRP 31 HZ2 TRP 31 -15.702 -6.776 -7.652 269 HZ3 TRP 31 HZ3 TRP 31 -12.831 -4.365 -9.690 270 HH2 TRP 31 HH2 TRP 31 -15.136 -5.099 -9.355 271 H THR 32 H THR 32 -8.460 -9.947 -7.324 272 HA THR 32 HA THR 32 -5.717 -9.867 -6.611 273 HB THR 32 HB THR 32 -5.279 -11.096 -8.603 274 HG1 THR 32 HG1 THR 32 -7.085 -11.288 -10.180 275 HG21 THR 32 HG21 THR 32 -7.021 -11.977 -6.748 276 HG22 THR 32 HG22 THR 32 -6.479 -12.956 -8.111 277 HG23 THR 32 HG23 THR 32 -8.024 -12.110 -8.192 278 H ILE 33 H ILE 33 -4.046 -9.222 -8.363 279 HA ILE 33 HA ILE 33 -4.170 -6.409 -8.661 280 HB ILE 33 HB ILE 33 -2.273 -8.368 -9.960 281 HG12 ILE 33 HG12 ILE 33 -0.864 -7.118 -7.999 282 HG13 ILE 33 HG13 ILE 33 -2.460 -7.183 -7.261 283 HG21 ILE 33 HG21 ILE 33 -2.220 -6.286 -11.144 284 HG22 ILE 33 HG22 ILE 33 -2.138 -5.376 -9.637 285 HG23 ILE 33 HG23 ILE 33 -0.779 -6.384 -10.133 286 HD11 ILE 33 HD11 ILE 33 -2.329 -9.382 -6.906 287 HD12 ILE 33 HD12 ILE 33 -1.606 -9.695 -8.484 288 HD13 ILE 33 HD13 ILE 33 -0.597 -9.153 -7.143 289 H ASP 34 H ASP 34 -5.037 -9.063 -10.722 290 HA ASP 34 HA ASP 34 -5.139 -7.468 -13.127 291 HB2 ASP 34 HB2 ASP 34 -5.963 -10.295 -12.475 292 HB3 ASP 34 HB3 ASP 34 -6.278 -9.563 -14.045 293 H GLN 35 H GLN 35 -7.282 -8.369 -10.561 294 HA GLN 35 HA GLN 35 -9.764 -8.069 -11.790 295 HB2 GLN 35 HB2 GLN 35 -8.811 -7.648 -8.973 296 HB3 GLN 35 HB3 GLN 35 -10.479 -7.311 -9.416 297 HG2 GLN 35 HG2 GLN 35 -9.157 -9.958 -9.927 298 HG3 GLN 35 HG3 GLN 35 -10.022 -9.583 -8.438 299 HE21 GLN 35 HE21 GLN 35 -12.277 -9.052 -8.597 300 HE22 GLN 35 HE22 GLN 35 -13.225 -9.703 -9.887 301 H ILE 36 H ILE 36 -7.674 -5.640 -10.273 302 HA ILE 36 HA ILE 36 -9.494 -3.483 -10.797 303 HB ILE 36 HB ILE 36 -6.580 -3.404 -10.004 304 HG12 ILE 36 HG12 ILE 36 -7.850 -2.637 -7.796 305 HG13 ILE 36 HG13 ILE 36 -9.140 -3.616 -8.485 306 HG21 ILE 36 HG21 ILE 36 -6.853 -1.274 -10.741 307 HG22 ILE 36 HG22 ILE 36 -8.601 -1.301 -10.515 308 HG23 ILE 36 HG23 ILE 36 -7.536 -1.078 -9.127 309 HD11 ILE 36 HD11 ILE 36 -8.041 -5.554 -8.125 310 HD12 ILE 36 HD12 ILE 36 -6.452 -4.833 -8.387 311 HD13 ILE 36 HD13 ILE 36 -7.286 -4.596 -6.852 312 H GLU 37 H GLU 37 -6.289 -4.368 -12.090 313 HA GLU 37 HA GLU 37 -6.051 -2.412 -14.021 314 HB2 GLU 37 HB2 GLU 37 -5.007 -5.193 -13.753 315 HB3 GLU 37 HB3 GLU 37 -4.808 -4.379 -15.299 316 HG2 GLU 37 HG2 GLU 37 -4.005 -2.941 -12.825 317 HG3 GLU 37 HG3 GLU 37 -2.974 -4.239 -13.425 318 H LYS 38 H LYS 38 -8.012 -5.292 -14.038 319 HA LYS 38 HA LYS 38 -8.694 -4.967 -16.852 320 HB2 LYS 38 HB2 LYS 38 -9.515 -7.013 -14.787 321 HB3 LYS 38 HB3 LYS 38 -10.112 -7.003 -16.441 322 HG2 LYS 38 HG2 LYS 38 -7.945 -7.435 -17.314 323 HG3 LYS 38 HG3 LYS 38 -7.193 -7.168 -15.740 324 HD2 LYS 38 HD2 LYS 38 -7.258 -9.487 -15.906 325 HD3 LYS 38 HD3 LYS 38 -8.694 -9.117 -14.949 326 HE2 LYS 38 HE2 LYS 38 -9.509 -10.620 -16.508 327 HE3 LYS 38 HE3 LYS 38 -9.903 -9.066 -17.241 328 HZ1 LYS 38 HZ1 LYS 38 -7.362 -9.703 -18.114 329 HZ2 LYS 38 HZ2 LYS 38 -8.791 -9.737 -19.019 330 HZ3 LYS 38 HZ3 LYS 38 -8.250 -11.138 -18.239 331 H TRP 39 H TRP 39 -9.956 -4.260 -13.707 332 HA TRP 39 HA TRP 39 -12.678 -3.917 -14.505 333 HB2 TRP 39 HB2 TRP 39 -12.223 -4.379 -12.192 334 HB3 TRP 39 HB3 TRP 39 -11.143 -2.993 -12.072 335 HD1 TRP 39 HD1 TRP 39 -14.863 -3.890 -12.182 336 HE1 TRP 39 HE1 TRP 39 -16.221 -1.863 -11.363 337 HE3 TRP 39 HE3 TRP 39 -11.088 -0.455 -11.874 338 HZ2 TRP 39 HZ2 TRP 39 -15.754 0.836 -10.677 339 HZ3 TRP 39 HZ3 TRP 39 -11.628 1.827 -11.128 340 HH2 TRP 39 HH2 TRP 39 -13.913 2.457 -10.543 341 H LEU 40 H LEU 40 -9.983 -1.685 -13.885 342 HA LEU 40 HA LEU 40 -11.485 0.644 -14.579 343 HB2 LEU 40 HB2 LEU 40 -9.602 0.793 -13.070 344 HB3 LEU 40 HB3 LEU 40 -8.517 0.186 -14.319 345 HG LEU 40 HG LEU 40 -8.745 2.216 -15.584 346 HD11 LEU 40 HD11 LEU 40 -11.112 2.643 -15.106 347 HD12 LEU 40 HD12 LEU 40 -10.117 4.074 -14.841 348 HD13 LEU 40 HD13 LEU 40 -10.687 3.129 -13.465 349 HD21 LEU 40 HD21 LEU 40 -7.557 2.034 -13.077 350 HD22 LEU 40 HD22 LEU 40 -8.400 3.583 -13.060 351 HD23 LEU 40 HD23 LEU 40 -7.220 3.234 -14.325 352 H LYS 41 H LYS 41 -8.886 -1.158 -16.221 353 HA LYS 41 HA LYS 41 -8.738 0.308 -18.555 354 HB2 LYS 41 HB2 LYS 41 -7.170 -1.480 -18.033 355 HB3 LYS 41 HB3 LYS 41 -8.446 -2.680 -18.195 356 HG2 LYS 41 HG2 LYS 41 -8.627 -2.256 -20.548 357 HG3 LYS 41 HG3 LYS 41 -7.496 -0.906 -20.433 358 HD2 LYS 41 HD2 LYS 41 -5.730 -2.461 -19.731 359 HD3 LYS 41 HD3 LYS 41 -6.865 -3.805 -19.876 360 HE2 LYS 41 HE2 LYS 41 -5.713 -3.875 -21.890 361 HE3 LYS 41 HE3 LYS 41 -7.176 -2.982 -22.303 362 HZ1 LYS 41 HZ1 LYS 41 -4.998 -1.323 -21.402 363 HZ2 LYS 41 HZ2 LYS 41 -6.015 -1.141 -22.741 364 HZ3 LYS 41 HZ3 LYS 41 -4.668 -2.160 -22.835 365 H ARG 42 H ARG 42 -11.143 -2.025 -17.565 366 HA ARG 42 HA ARG 42 -12.421 -1.935 -20.193 367 HB2 ARG 42 HB2 ARG 42 -13.019 -3.581 -17.730 368 HB3 ARG 42 HB3 ARG 42 -13.944 -3.661 -19.223 369 HG2 ARG 42 HG2 ARG 42 -11.011 -4.292 -18.970 370 HG3 ARG 42 HG3 ARG 42 -12.312 -5.483 -19.013 371 HD2 ARG 42 HD2 ARG 42 -11.472 -3.582 -21.191 372 HD3 ARG 42 HD3 ARG 42 -11.399 -5.343 -21.208 373 HE ARG 42 HE ARG 42 -14.047 -4.749 -20.852 374 HH11 ARG 42 HH11 ARG 42 -11.621 -3.973 -23.225 375 HH12 ARG 42 HH12 ARG 42 -12.752 -3.851 -24.532 376 HH21 ARG 42 HH21 ARG 42 -15.546 -4.591 -22.564 377 HH22 ARG 42 HH22 ARG 42 -14.984 -4.202 -24.155 378 H HIS 43 H HIS 43 -12.435 0.486 -18.832 379 HA HIS 43 HA HIS 43 -15.257 0.730 -18.017 380 HB2 HIS 43 HB2 HIS 43 -13.483 1.225 -16.257 381 HB3 HIS 43 HB3 HIS 43 -13.052 2.631 -17.226 382 HD1 HIS 43 HD1 HIS 43 -14.227 4.709 -16.595 383 HD2 HIS 43 HD2 HIS 43 -16.387 1.328 -15.517 384 HE1 HIS 43 HE1 HIS 43 -16.247 5.566 -15.366 Start of MODEL 10 1 HCN FME 1 HF FME 1 3.618 -0.035 2.305 2 HA FME 1 HA FME 1 0.378 -1.158 1.129 3 HB2 FME 1 HB2 FME 1 -0.920 -0.319 -0.800 4 HB3 FME 1 HB3 FME 1 0.470 0.728 -1.255 5 HG2 FME 1 HG2 FME 1 -0.766 2.292 -0.055 6 HG3 FME 1 HG3 FME 1 0.186 1.613 1.314 7 HE1 FME 1 HE8 FME 1 -3.149 2.484 2.738 8 HE2 FME 1 HE2 FME 1 -1.376 2.789 2.535 9 HE3 FME 1 HE3 FME 1 -1.954 1.486 3.663 10 H GLY 2 H GLY 2 1.985 -0.770 -2.022 11 HA2 GLY 2 HA2 GLY 2 3.241 -2.589 -2.991 12 HA3 GLY 2 HA3 GLY 2 2.249 -3.706 -2.066 13 H ALA 3 H ALA 3 -0.148 -3.612 -2.622 14 HA ALA 3 HA ALA 3 -0.513 -4.333 -5.287 15 HB1 ALA 3 HB1 ALA 3 -3.029 -3.766 -4.607 16 HB2 ALA 3 HB2 ALA 3 -2.183 -5.199 -4.020 17 HB3 ALA 3 HB3 ALA 3 -2.303 -3.767 -2.999 18 H ILE 4 H ILE 4 -0.531 -1.218 -3.797 19 HA ILE 4 HA ILE 4 -2.081 0.179 -5.706 20 HB ILE 4 HB ILE 4 0.141 1.251 -3.963 21 HG12 ILE 4 HG12 ILE 4 -1.652 0.111 -2.689 22 HG13 ILE 4 HG13 ILE 4 -1.612 1.844 -2.381 23 HG21 ILE 4 HG21 ILE 4 -1.582 2.474 -5.939 24 HG22 ILE 4 HG22 ILE 4 -1.774 3.218 -4.353 25 HG23 ILE 4 HG23 ILE 4 -0.179 3.137 -5.101 26 HD11 ILE 4 HD11 ILE 4 -3.489 0.545 -4.335 27 HD12 ILE 4 HD12 ILE 4 -3.888 0.870 -2.648 28 HD13 ILE 4 HD13 ILE 4 -3.525 2.205 -3.742 29 H ALA 5 H ALA 5 1.458 -0.033 -5.303 30 HA ALA 5 HA ALA 5 2.156 1.378 -7.607 31 HB1 ALA 5 HB1 ALA 5 3.662 -0.842 -6.229 32 HB2 ALA 5 HB2 ALA 5 4.344 0.277 -7.410 33 HB3 ALA 5 HB3 ALA 5 3.762 0.880 -5.858 34 H LYS 6 H LYS 6 1.063 -1.892 -7.196 35 HA LYS 6 HA LYS 6 2.015 -3.017 -9.586 36 HB2 LYS 6 HB2 LYS 6 -0.502 -3.662 -8.038 37 HB3 LYS 6 HB3 LYS 6 0.199 -4.674 -9.294 38 HG2 LYS 6 HG2 LYS 6 2.329 -4.477 -7.717 39 HG3 LYS 6 HG3 LYS 6 1.073 -4.229 -6.502 40 HD2 LYS 6 HD2 LYS 6 -0.010 -6.318 -7.224 41 HD3 LYS 6 HD3 LYS 6 1.285 -6.570 -8.397 42 HE2 LYS 6 HE2 LYS 6 1.945 -7.877 -6.594 43 HE3 LYS 6 HE3 LYS 6 2.859 -6.387 -6.362 44 HZ1 LYS 6 HZ1 LYS 6 1.177 -5.659 -4.775 45 HZ2 LYS 6 HZ2 LYS 6 1.877 -7.122 -4.294 46 HZ3 LYS 6 HZ3 LYS 6 0.331 -7.110 -4.981 47 H LEU 7 H LEU 7 -1.084 -1.434 -8.850 48 HA LEU 7 HA LEU 7 -1.931 -1.575 -11.607 49 HB2 LEU 7 HB2 LEU 7 -3.251 0.110 -9.518 50 HB3 LEU 7 HB3 LEU 7 -3.971 -0.718 -10.897 51 HG LEU 7 HG LEU 7 -2.869 -2.144 -8.481 52 HD11 LEU 7 HD11 LEU 7 -5.561 -2.441 -8.341 53 HD12 LEU 7 HD12 LEU 7 -5.429 -0.778 -8.912 54 HD13 LEU 7 HD13 LEU 7 -4.633 -1.261 -7.414 55 HD21 LEU 7 HD21 LEU 7 -4.692 -3.787 -9.557 56 HD22 LEU 7 HD22 LEU 7 -2.987 -3.807 -10.010 57 HD23 LEU 7 HD23 LEU 7 -4.158 -2.951 -11.015 58 H VAL 8 H VAL 8 -0.642 0.841 -9.399 59 HA VAL 8 HA VAL 8 -1.051 3.092 -11.067 60 HB VAL 8 HB VAL 8 1.005 2.670 -8.893 61 HG11 VAL 8 HG11 VAL 8 0.408 5.367 -9.048 62 HG12 VAL 8 HG12 VAL 8 1.883 4.586 -9.621 63 HG13 VAL 8 HG13 VAL 8 0.542 4.865 -10.733 64 HG21 VAL 8 HG21 VAL 8 -0.520 3.453 -7.363 65 HG22 VAL 8 HG22 VAL 8 -1.468 4.308 -8.580 66 HG23 VAL 8 HG23 VAL 8 -1.578 2.553 -8.450 67 H ALA 9 H ALA 9 1.361 0.600 -10.985 68 HA ALA 9 HA ALA 9 3.479 1.865 -12.292 69 HB1 ALA 9 HB1 ALA 9 2.629 -0.919 -11.843 70 HB2 ALA 9 HB2 ALA 9 3.721 -0.658 -13.204 71 HB3 ALA 9 HB3 ALA 9 4.196 -0.151 -11.583 72 H LYS 10 H LYS 10 0.408 0.866 -13.473 73 HA LYS 10 HA LYS 10 1.300 1.347 -16.241 74 HB2 LYS 10 HB2 LYS 10 -1.135 -0.223 -15.389 75 HB3 LYS 10 HB3 LYS 10 -0.468 -0.091 -17.011 76 HG2 LYS 10 HG2 LYS 10 0.953 -1.371 -14.687 77 HG3 LYS 10 HG3 LYS 10 0.017 -2.248 -15.900 78 HD2 LYS 10 HD2 LYS 10 2.149 -0.395 -16.834 79 HD3 LYS 10 HD3 LYS 10 2.635 -1.935 -16.123 80 HE2 LYS 10 HE2 LYS 10 2.459 -2.389 -18.408 81 HE3 LYS 10 HE3 LYS 10 0.948 -2.994 -17.731 82 HZ1 LYS 10 HZ1 LYS 10 1.013 -0.235 -18.706 83 HZ2 LYS 10 HZ2 LYS 10 -0.258 -1.352 -18.712 84 HZ3 LYS 10 HZ3 LYS 10 0.983 -1.478 -19.854 85 H PHE 11 H PHE 11 -0.962 2.171 -13.736 86 HA PHE 11 HA PHE 11 -2.576 3.822 -15.495 87 HB2 PHE 11 HB2 PHE 11 -2.686 3.328 -12.515 88 HB3 PHE 11 HB3 PHE 11 -3.802 4.381 -13.378 89 HD1 PHE 11 HD2 PHE 11 -4.276 2.823 -15.832 90 HD2 PHE 11 HD1 PHE 11 -4.010 1.575 -11.771 91 HE1 PHE 11 HE2 PHE 11 -5.712 0.889 -16.335 92 HE2 PHE 11 HE1 PHE 11 -5.445 -0.361 -12.268 93 HZ PHE 11 HZ PHE 11 -6.299 -0.705 -14.552 94 H GLY 12 H GLY 12 -0.788 4.437 -12.463 95 HA2 GLY 12 HA2 GLY 12 0.942 6.173 -12.467 96 HA3 GLY 12 HA3 GLY 12 -0.086 7.089 -13.560 97 H TRP 13 H TRP 13 0.777 8.438 -11.458 98 HA TRP 13 HA TRP 13 -0.807 8.217 -9.117 99 HB2 TRP 13 HB2 TRP 13 0.378 10.837 -9.931 100 HB3 TRP 13 HB3 TRP 13 0.331 10.071 -8.345 101 HD1 TRP 13 HD1 TRP 13 2.729 10.915 -10.907 102 HE1 TRP 13 HE1 TRP 13 4.856 9.475 -10.741 103 HE3 TRP 13 HE3 TRP 13 0.979 7.237 -7.818 104 HZ2 TRP 13 HZ2 TRP 13 5.683 7.095 -9.469 105 HZ3 TRP 13 HZ3 TRP 13 2.502 5.414 -7.175 106 HH2 TRP 13 HH2 TRP 13 4.804 5.346 -7.984 107 HA PRO 14 HA PRO 14 -3.328 11.866 -11.074 108 HB2 PRO 14 HB2 PRO 14 -3.019 12.259 -13.742 109 HB3 PRO 14 HB3 PRO 14 -2.024 13.074 -12.529 110 HG2 PRO 14 HG2 PRO 14 -1.397 10.656 -14.179 111 HG3 PRO 14 HG3 PRO 14 -0.363 12.043 -13.789 112 HD2 PRO 14 HD2 PRO 14 -0.171 9.673 -12.494 113 HD3 PRO 14 HD3 PRO 14 0.160 11.225 -11.699 114 H PHE 15 H PHE 15 -2.845 8.750 -12.315 115 HA PHE 15 HA PHE 15 -5.473 8.697 -13.619 116 HB2 PHE 15 HB2 PHE 15 -3.235 7.744 -14.634 117 HB3 PHE 15 HB3 PHE 15 -3.614 6.354 -13.622 118 HD1 PHE 15 HD2 PHE 15 -5.579 4.991 -14.065 119 HD2 PHE 15 HD1 PHE 15 -4.562 8.285 -16.560 120 HE1 PHE 15 HE2 PHE 15 -7.115 4.151 -15.794 121 HE2 PHE 15 HE1 PHE 15 -6.097 7.452 -18.293 122 HZ PHE 15 HZ PHE 15 -7.375 5.381 -17.912 123 H ILE 16 H ILE 16 -3.578 7.156 -11.072 124 HA ILE 16 HA ILE 16 -5.628 5.320 -10.310 125 HB ILE 16 HB ILE 16 -3.190 4.985 -9.844 126 HG12 ILE 16 HG12 ILE 16 -3.864 4.544 -7.204 127 HG13 ILE 16 HG13 ILE 16 -5.432 4.588 -8.002 128 HG21 ILE 16 HG21 ILE 16 -2.791 7.332 -9.095 129 HG22 ILE 16 HG22 ILE 16 -3.632 6.941 -7.597 130 HG23 ILE 16 HG23 ILE 16 -2.136 6.104 -8.012 131 HD11 ILE 16 HD11 ILE 16 -3.972 2.371 -7.758 132 HD12 ILE 16 HD12 ILE 16 -5.069 2.658 -9.109 133 HD13 ILE 16 HD13 ILE 16 -3.342 2.959 -9.297 134 H LYS 17 H LYS 17 -4.772 8.583 -9.423 135 HA LYS 17 HA LYS 17 -6.330 8.693 -7.037 136 HB2 LYS 17 HB2 LYS 17 -5.868 11.029 -7.025 137 HB3 LYS 17 HB3 LYS 17 -4.418 10.229 -7.618 138 HG2 LYS 17 HG2 LYS 17 -5.057 10.791 -9.916 139 HG3 LYS 17 HG3 LYS 17 -6.494 11.615 -9.305 140 HD2 LYS 17 HD2 LYS 17 -3.658 12.344 -8.575 141 HD3 LYS 17 HD3 LYS 17 -4.610 13.150 -9.824 142 HE2 LYS 17 HE2 LYS 17 -6.351 13.469 -7.924 143 HE3 LYS 17 HE3 LYS 17 -4.985 13.154 -6.854 144 HZ1 LYS 17 HZ1 LYS 17 -5.642 15.528 -8.240 145 HZ2 LYS 17 HZ2 LYS 17 -4.108 14.999 -8.719 146 HZ3 LYS 17 HZ3 LYS 17 -4.435 15.273 -7.082 147 H LYS 18 H LYS 18 -7.068 8.861 -10.375 148 HA LYS 18 HA LYS 18 -9.418 10.448 -10.235 149 HB2 LYS 18 HB2 LYS 18 -7.910 9.242 -12.254 150 HB3 LYS 18 HB3 LYS 18 -9.481 8.457 -12.344 151 HG2 LYS 18 HG2 LYS 18 -9.139 11.443 -12.301 152 HG3 LYS 18 HG3 LYS 18 -9.187 10.491 -13.787 153 HD2 LYS 18 HD2 LYS 18 -11.407 10.636 -13.731 154 HD3 LYS 18 HD3 LYS 18 -11.387 9.648 -12.269 155 HE2 LYS 18 HE2 LYS 18 -12.378 11.414 -11.308 156 HE3 LYS 18 HE3 LYS 18 -10.758 12.108 -11.281 157 HZ1 LYS 18 HZ1 LYS 18 -13.047 12.944 -12.749 158 HZ2 LYS 18 HZ2 LYS 18 -11.738 12.666 -13.783 159 HZ3 LYS 18 HZ3 LYS 18 -11.582 13.752 -12.496 160 H PHE 19 H PHE 19 -8.716 7.172 -9.444 161 HA PHE 19 HA PHE 19 -11.480 6.777 -8.622 162 HB2 PHE 19 HB2 PHE 19 -10.045 4.871 -10.482 163 HB3 PHE 19 HB3 PHE 19 -11.572 4.527 -9.676 164 HD1 PHE 19 HD2 PHE 19 -13.493 6.224 -10.114 165 HD2 PHE 19 HD1 PHE 19 -10.055 5.806 -12.588 166 HE1 PHE 19 HE2 PHE 19 -14.713 7.266 -11.979 167 HE2 PHE 19 HE1 PHE 19 -11.269 6.849 -14.457 168 HZ PHE 19 HZ PHE 19 -13.601 7.579 -14.154 169 H TYR 20 H TYR 20 -9.111 7.230 -7.137 170 HA TYR 20 HA TYR 20 -8.057 4.766 -6.151 171 HB2 TYR 20 HB2 TYR 20 -6.909 7.032 -6.086 172 HB3 TYR 20 HB3 TYR 20 -7.976 7.437 -4.746 173 HD1 TYR 20 HD2 TYR 20 -5.218 5.244 -5.828 174 HD2 TYR 20 HD1 TYR 20 -7.602 6.553 -2.556 175 HE1 TYR 20 HE2 TYR 20 -3.649 4.175 -4.265 176 HE2 TYR 20 HE1 TYR 20 -6.039 5.488 -0.984 177 HH TYR 20 HH TYR 20 -3.697 4.767 -0.921 178 H LYS 21 H LYS 21 -10.999 6.275 -5.725 179 HA LYS 21 HA LYS 21 -11.439 5.630 -2.962 180 HB2 LYS 21 HB2 LYS 21 -12.643 7.479 -3.996 181 HB3 LYS 21 HB3 LYS 21 -13.371 6.383 -5.163 182 HG2 LYS 21 HG2 LYS 21 -14.925 6.993 -3.379 183 HG3 LYS 21 HG3 LYS 21 -14.588 5.260 -3.394 184 HD2 LYS 21 HD2 LYS 21 -13.187 5.417 -1.501 185 HD3 LYS 21 HD3 LYS 21 -13.095 7.175 -1.619 186 HE2 LYS 21 HE2 LYS 21 -15.695 5.752 -1.139 187 HE3 LYS 21 HE3 LYS 21 -14.611 6.175 0.186 188 HZ1 LYS 21 HZ1 LYS 21 -14.768 8.486 -0.444 189 HZ2 LYS 21 HZ2 LYS 21 -16.318 7.861 -0.185 190 HZ3 LYS 21 HZ3 LYS 21 -15.757 8.102 -1.762 191 H GLN 22 H GLN 22 -11.763 3.990 -5.988 192 HA GLN 22 HA GLN 22 -13.222 1.798 -4.674 193 HB2 GLN 22 HB2 GLN 22 -13.596 1.030 -7.086 194 HB3 GLN 22 HB3 GLN 22 -14.469 2.461 -6.552 195 HG2 GLN 22 HG2 GLN 22 -11.838 2.827 -7.881 196 HG3 GLN 22 HG3 GLN 22 -13.229 2.381 -8.869 197 HE21 GLN 22 HE21 GLN 22 -14.956 3.813 -9.058 198 HE22 GLN 22 HE22 GLN 22 -14.810 5.483 -8.641 199 H ILE 23 H ILE 23 -10.390 2.604 -6.597 200 HA ILE 23 HA ILE 23 -9.431 0.004 -7.036 201 HB ILE 23 HB ILE 23 -7.865 2.569 -6.734 202 HG12 ILE 23 HG12 ILE 23 -8.511 1.200 -9.325 203 HG13 ILE 23 HG13 ILE 23 -9.699 2.259 -8.571 204 HG21 ILE 23 HG21 ILE 23 -6.334 0.790 -6.444 205 HG22 ILE 23 HG22 ILE 23 -7.072 -0.152 -7.738 206 HG23 ILE 23 HG23 ILE 23 -6.168 1.312 -8.121 207 HD11 ILE 23 HD11 ILE 23 -6.980 2.955 -9.619 208 HD12 ILE 23 HD12 ILE 23 -8.549 3.599 -10.102 209 HD13 ILE 23 HD13 ILE 23 -7.870 4.018 -8.530 210 H MET 24 H MET 24 -8.412 2.362 -4.556 211 HA MET 24 HA MET 24 -6.731 0.640 -3.141 212 HB2 MET 24 HB2 MET 24 -6.922 3.156 -2.906 213 HB3 MET 24 HB3 MET 24 -8.344 2.874 -1.910 214 HG2 MET 24 HG2 MET 24 -6.514 1.245 -0.727 215 HG3 MET 24 HG3 MET 24 -5.508 2.586 -1.271 216 HE1 MET 24 HE1 MET 24 -8.826 2.401 1.740 217 HE2 MET 24 HE2 MET 24 -9.445 3.247 0.322 218 HE3 MET 24 HE3 MET 24 -8.770 1.625 0.157 219 H GLN 25 H GLN 25 -10.165 0.820 -3.257 220 HA GLN 25 HA GLN 25 -10.597 -0.544 -0.752 221 HB2 GLN 25 HB2 GLN 25 -12.305 0.546 -2.924 222 HB3 GLN 25 HB3 GLN 25 -12.976 -0.763 -1.960 223 HG2 GLN 25 HG2 GLN 25 -11.779 1.661 -0.675 224 HG3 GLN 25 HG3 GLN 25 -13.449 1.644 -1.240 225 HE21 GLN 25 HE21 GLN 25 -12.104 1.731 1.474 226 HE22 GLN 25 HE22 GLN 25 -12.912 0.502 2.380 227 H PHE 26 H PHE 26 -10.761 -1.362 -4.198 228 HA PHE 26 HA PHE 26 -11.714 -3.946 -4.038 229 HB2 PHE 26 HB2 PHE 26 -9.718 -2.705 -5.930 230 HB3 PHE 26 HB3 PHE 26 -10.323 -4.346 -6.135 231 HD1 PHE 26 HD1 PHE 26 -13.142 -4.071 -5.436 232 HD2 PHE 26 HD2 PHE 26 -10.612 -1.479 -7.671 233 HE1 PHE 26 HE1 PHE 26 -15.103 -3.199 -6.638 234 HE2 PHE 26 HE2 PHE 26 -12.569 -0.601 -8.875 235 HZ PHE 26 HZ PHE 26 -14.819 -1.460 -8.359 236 H ILE 27 H ILE 27 -8.483 -2.739 -3.402 237 HA ILE 27 HA ILE 27 -7.048 -5.119 -3.383 238 HB ILE 27 HB ILE 27 -6.656 -2.755 -1.544 239 HG12 ILE 27 HG12 ILE 27 -5.460 -3.353 -4.260 240 HG13 ILE 27 HG13 ILE 27 -6.673 -2.122 -3.923 241 HG21 ILE 27 HG21 ILE 27 -5.368 -5.260 -1.617 242 HG22 ILE 27 HG22 ILE 27 -4.243 -4.084 -2.296 243 HG23 ILE 27 HG23 ILE 27 -4.916 -3.832 -0.686 244 HD11 ILE 27 HD11 ILE 27 -5.118 -0.877 -2.594 245 HD12 ILE 27 HD12 ILE 27 -3.915 -2.160 -2.727 246 HD13 ILE 27 HD13 ILE 27 -4.380 -1.235 -4.155 247 H GLY 28 H GLY 28 -8.849 -3.572 -0.734 248 HA2 GLY 28 HA2 GLY 28 -8.255 -5.659 1.137 249 HA3 GLY 28 HA3 GLY 28 -9.424 -4.365 1.356 250 H GLN 29 H GLN 29 -10.598 -5.266 -1.341 251 HA GLN 29 HA GLN 29 -12.594 -6.972 -0.197 252 HB2 GLN 29 HB2 GLN 29 -13.318 -5.355 -1.800 253 HB3 GLN 29 HB3 GLN 29 -12.151 -5.919 -2.989 254 HG2 GLN 29 HG2 GLN 29 -13.452 -7.626 -3.660 255 HG3 GLN 29 HG3 GLN 29 -14.075 -7.931 -2.039 256 HE21 GLN 29 HE21 GLN 29 -14.365 -5.879 -4.869 257 HE22 GLN 29 HE22 GLN 29 -15.989 -5.373 -4.569 258 H GLY 30 H GLY 30 -9.718 -7.430 -2.076 259 HA2 GLY 30 HA2 GLY 30 -8.696 -9.643 -1.975 260 HA3 GLY 30 HA3 GLY 30 -10.305 -10.323 -2.160 261 H TRP 31 H TRP 31 -9.533 -7.566 -4.066 262 HA TRP 31 HA TRP 31 -9.782 -9.134 -6.478 263 HB2 TRP 31 HB2 TRP 31 -9.637 -6.204 -5.858 264 HB3 TRP 31 HB3 TRP 31 -9.389 -6.762 -7.510 265 HD1 TRP 31 HD1 TRP 31 -11.937 -8.598 -5.369 266 HE1 TRP 31 HE1 TRP 31 -14.297 -8.101 -6.267 267 HE3 TRP 31 HE3 TRP 31 -10.771 -4.929 -8.734 268 HZ2 TRP 31 HZ2 TRP 31 -15.505 -6.382 -8.152 269 HZ3 TRP 31 HZ3 TRP 31 -12.587 -3.911 -10.045 270 HH2 TRP 31 HH2 TRP 31 -14.904 -4.624 -9.759 271 H THR 32 H THR 32 -8.211 -9.637 -7.914 272 HA THR 32 HA THR 32 -5.471 -9.360 -7.035 273 HB THR 32 HB THR 32 -4.891 -10.809 -8.888 274 HG1 THR 32 HG1 THR 32 -6.605 -11.504 -10.319 275 HG21 THR 32 HG21 THR 32 -5.962 -11.763 -6.812 276 HG22 THR 32 HG22 THR 32 -6.074 -12.775 -8.252 277 HG23 THR 32 HG23 THR 32 -7.471 -11.840 -7.720 278 H ILE 33 H ILE 33 -3.845 -8.960 -8.961 279 HA ILE 33 HA ILE 33 -4.017 -6.240 -9.621 280 HB ILE 33 HB ILE 33 -2.295 -8.342 -10.939 281 HG12 ILE 33 HG12 ILE 33 -0.699 -6.923 -9.208 282 HG13 ILE 33 HG13 ILE 33 -2.207 -7.045 -8.308 283 HG21 ILE 33 HG21 ILE 33 -1.890 -6.614 -12.327 284 HG22 ILE 33 HG22 ILE 33 -2.484 -5.415 -11.180 285 HG23 ILE 33 HG23 ILE 33 -0.853 -6.064 -11.011 286 HD11 ILE 33 HD11 ILE 33 -1.766 -9.142 -7.772 287 HD12 ILE 33 HD12 ILE 33 -1.549 -9.580 -9.466 288 HD13 ILE 33 HD13 ILE 33 -0.187 -8.959 -8.535 289 H ASP 34 H ASP 34 -4.992 -9.119 -11.347 290 HA ASP 34 HA ASP 34 -5.367 -7.828 -13.872 291 HB2 ASP 34 HB2 ASP 34 -4.969 -10.271 -13.632 292 HB3 ASP 34 HB3 ASP 34 -6.554 -10.427 -12.878 293 H GLN 35 H GLN 35 -7.376 -8.490 -11.075 294 HA GLN 35 HA GLN 35 -9.897 -8.028 -12.150 295 HB2 GLN 35 HB2 GLN 35 -8.692 -7.876 -9.448 296 HB3 GLN 35 HB3 GLN 35 -10.214 -7.022 -9.670 297 HG2 GLN 35 HG2 GLN 35 -10.779 -9.160 -8.884 298 HG3 GLN 35 HG3 GLN 35 -11.142 -9.169 -10.609 299 HE21 GLN 35 HE21 GLN 35 -9.361 -10.015 -12.011 300 HE22 GLN 35 HE22 GLN 35 -8.490 -11.392 -11.436 301 H ILE 36 H ILE 36 -7.785 -5.678 -10.495 302 HA ILE 36 HA ILE 36 -9.427 -3.448 -11.136 303 HB ILE 36 HB ILE 36 -6.524 -3.506 -10.306 304 HG12 ILE 36 HG12 ILE 36 -7.852 -2.634 -8.136 305 HG13 ILE 36 HG13 ILE 36 -9.097 -3.664 -8.833 306 HG21 ILE 36 HG21 ILE 36 -6.664 -1.366 -11.030 307 HG22 ILE 36 HG22 ILE 36 -8.420 -1.314 -10.882 308 HG23 ILE 36 HG23 ILE 36 -7.408 -1.131 -9.449 309 HD11 ILE 36 HD11 ILE 36 -7.870 -5.581 -8.523 310 HD12 ILE 36 HD12 ILE 36 -6.332 -4.718 -8.487 311 HD13 ILE 36 HD13 ILE 36 -7.425 -4.630 -7.106 312 H GLU 37 H GLU 37 -6.316 -4.596 -12.435 313 HA GLU 37 HA GLU 37 -5.877 -2.646 -14.337 314 HB2 GLU 37 HB2 GLU 37 -5.197 -5.571 -14.258 315 HB3 GLU 37 HB3 GLU 37 -4.763 -4.586 -15.647 316 HG2 GLU 37 HG2 GLU 37 -3.481 -3.099 -14.194 317 HG3 GLU 37 HG3 GLU 37 -3.914 -4.090 -12.802 318 H LYS 38 H LYS 38 -7.989 -5.454 -14.493 319 HA LYS 38 HA LYS 38 -8.699 -4.930 -17.257 320 HB2 LYS 38 HB2 LYS 38 -8.491 -7.250 -16.306 321 HB3 LYS 38 HB3 LYS 38 -9.933 -6.924 -15.352 322 HG2 LYS 38 HG2 LYS 38 -11.296 -6.793 -17.266 323 HG3 LYS 38 HG3 LYS 38 -9.902 -6.694 -18.345 324 HD2 LYS 38 HD2 LYS 38 -9.277 -9.009 -17.537 325 HD3 LYS 38 HD3 LYS 38 -10.866 -9.073 -16.770 326 HE2 LYS 38 HE2 LYS 38 -11.122 -10.131 -18.861 327 HE3 LYS 38 HE3 LYS 38 -11.832 -8.529 -19.049 328 HZ1 LYS 38 HZ1 LYS 38 -10.542 -8.414 -20.850 329 HZ2 LYS 38 HZ2 LYS 38 -9.545 -9.689 -20.359 330 HZ3 LYS 38 HZ3 LYS 38 -9.267 -8.125 -19.776 331 H TRP 39 H TRP 39 -9.886 -4.234 -14.083 332 HA TRP 39 HA TRP 39 -12.593 -3.761 -14.682 333 HB2 TRP 39 HB2 TRP 39 -11.799 -3.971 -12.384 334 HB3 TRP 39 HB3 TRP 39 -10.838 -2.505 -12.561 335 HD1 TRP 39 HD1 TRP 39 -14.299 -3.699 -11.708 336 HE1 TRP 39 HE1 TRP 39 -15.798 -1.680 -11.160 337 HE3 TRP 39 HE3 TRP 39 -11.205 0.058 -13.273 338 HZ2 TRP 39 HZ2 TRP 39 -15.684 1.133 -11.365 339 HZ3 TRP 39 HZ3 TRP 39 -11.975 2.385 -13.063 340 HH2 TRP 39 HH2 TRP 39 -14.169 2.910 -12.128 341 H LEU 40 H LEU 40 -9.730 -1.734 -14.937 342 HA LEU 40 HA LEU 40 -10.942 0.742 -15.334 343 HB2 LEU 40 HB2 LEU 40 -8.401 -0.108 -15.220 344 HB3 LEU 40 HB3 LEU 40 -8.552 0.121 -16.961 345 HG LEU 40 HG LEU 40 -7.600 2.101 -16.055 346 HD11 LEU 40 HD11 LEU 40 -9.770 2.130 -17.625 347 HD12 LEU 40 HD12 LEU 40 -8.921 3.591 -17.120 348 HD13 LEU 40 HD13 LEU 40 -10.377 3.079 -16.267 349 HD21 LEU 40 HD21 LEU 40 -8.078 1.989 -13.760 350 HD22 LEU 40 HD22 LEU 40 -9.819 1.923 -14.037 351 HD23 LEU 40 HD23 LEU 40 -8.934 3.421 -14.332 352 H LYS 41 H LYS 41 -9.695 -1.438 -17.872 353 HA LYS 41 HA LYS 41 -10.788 -0.076 -20.042 354 HB2 LYS 41 HB2 LYS 41 -9.880 -2.888 -19.586 355 HB3 LYS 41 HB3 LYS 41 -10.732 -2.503 -21.076 356 HG2 LYS 41 HG2 LYS 41 -8.605 -2.151 -21.775 357 HG3 LYS 41 HG3 LYS 41 -8.956 -0.539 -21.147 358 HD2 LYS 41 HD2 LYS 41 -7.775 -0.963 -19.140 359 HD3 LYS 41 HD3 LYS 41 -7.688 -2.694 -19.472 360 HE2 LYS 41 HE2 LYS 41 -6.392 -0.616 -21.222 361 HE3 LYS 41 HE3 LYS 41 -5.566 -1.375 -19.862 362 HZ1 LYS 41 HZ1 LYS 41 -6.518 -2.628 -22.362 363 HZ2 LYS 41 HZ2 LYS 41 -6.192 -3.554 -20.985 364 HZ3 LYS 41 HZ3 LYS 41 -4.961 -2.641 -21.701 365 H ARG 42 H ARG 42 -12.269 -2.220 -17.758 366 HA ARG 42 HA ARG 42 -14.587 -2.787 -19.356 367 HB2 ARG 42 HB2 ARG 42 -13.763 -3.321 -16.531 368 HB3 ARG 42 HB3 ARG 42 -15.457 -3.484 -16.973 369 HG2 ARG 42 HG2 ARG 42 -14.839 -5.101 -18.709 370 HG3 ARG 42 HG3 ARG 42 -13.148 -4.954 -18.226 371 HD2 ARG 42 HD2 ARG 42 -13.724 -6.796 -17.012 372 HD3 ARG 42 HD3 ARG 42 -14.150 -5.538 -15.851 373 HE ARG 42 HE ARG 42 -16.373 -6.114 -17.483 374 HH11 ARG 42 HH11 ARG 42 -14.467 -7.495 -14.918 375 HH12 ARG 42 HH12 ARG 42 -15.771 -8.442 -14.282 376 HH21 ARG 42 HH21 ARG 42 -18.098 -7.356 -16.656 377 HH22 ARG 42 HH22 ARG 42 -17.836 -8.364 -15.273 378 H HIS 43 H HIS 43 -13.623 -0.332 -17.097 379 HA HIS 43 HA HIS 43 -16.192 0.640 -16.420 380 HB2 HIS 43 HB2 HIS 43 -14.168 1.187 -15.126 381 HB3 HIS 43 HB3 HIS 43 -13.552 2.118 -16.489 382 HD1 HIS 43 HD1 HIS 43 -17.005 2.189 -14.892 383 HD2 HIS 43 HD2 HIS 43 -13.778 4.688 -15.669 384 HE1 HIS 43 HE1 HIS 43 -17.735 4.480 -14.154 Start of MODEL 11 1 HCN FME 1 HF FME 1 -3.803 -4.260 0.841 2 HA FME 1 HA FME 1 -0.412 -2.973 0.779 3 HB2 FME 1 HB2 FME 1 -0.122 -5.437 2.546 4 HB3 FME 1 HB3 FME 1 -0.511 -3.731 2.963 5 HG2 FME 1 HG2 FME 1 1.863 -3.105 2.076 6 HG3 FME 1 HG3 FME 1 2.223 -4.869 2.067 7 HE1 FME 1 HE8 FME 1 4.263 -3.815 3.956 8 HE2 FME 1 HE2 FME 1 3.711 -2.764 5.323 9 HE3 FME 1 HE3 FME 1 3.393 -2.267 3.603 10 H GLY 2 H GLY 2 0.469 -2.609 -1.011 11 HA2 GLY 2 HA2 GLY 2 2.401 -2.765 -2.355 12 HA3 GLY 2 HA3 GLY 2 2.574 -4.446 -1.872 13 H ALA 3 H ALA 3 -0.362 -2.942 -3.115 14 HA ALA 3 HA ALA 3 -0.109 -4.622 -5.525 15 HB1 ALA 3 HB1 ALA 3 -2.669 -3.923 -4.092 16 HB2 ALA 3 HB2 ALA 3 -2.498 -4.970 -5.502 17 HB3 ALA 3 HB3 ALA 3 -1.817 -5.461 -3.951 18 H ILE 4 H ILE 4 -1.326 -1.604 -4.160 19 HA ILE 4 HA ILE 4 -2.465 -0.464 -6.413 20 HB ILE 4 HB ILE 4 -0.896 0.953 -4.256 21 HG12 ILE 4 HG12 ILE 4 -2.729 -0.405 -3.357 22 HG13 ILE 4 HG13 ILE 4 -3.090 1.312 -3.206 23 HG21 ILE 4 HG21 ILE 4 -2.401 1.897 -6.589 24 HG22 ILE 4 HG22 ILE 4 -2.819 2.688 -5.070 25 HG23 ILE 4 HG23 ILE 4 -1.151 2.702 -5.640 26 HD11 ILE 4 HD11 ILE 4 -4.244 -0.660 -5.149 27 HD12 ILE 4 HD12 ILE 4 -5.078 0.273 -3.905 28 HD13 ILE 4 HD13 ILE 4 -4.429 1.084 -5.330 29 H ALA 5 H ALA 5 0.882 -0.952 -5.630 30 HA ALA 5 HA ALA 5 2.017 0.939 -7.397 31 HB1 ALA 5 HB1 ALA 5 3.473 -1.586 -6.865 32 HB2 ALA 5 HB2 ALA 5 4.029 0.086 -6.779 33 HB3 ALA 5 HB3 ALA 5 3.048 -0.585 -5.476 34 H LYS 6 H LYS 6 0.992 -2.409 -7.801 35 HA LYS 6 HA LYS 6 2.077 -2.733 -10.412 36 HB2 LYS 6 HB2 LYS 6 -0.062 -4.227 -8.896 37 HB3 LYS 6 HB3 LYS 6 0.475 -4.695 -10.504 38 HG2 LYS 6 HG2 LYS 6 2.459 -4.375 -8.293 39 HG3 LYS 6 HG3 LYS 6 1.497 -5.849 -8.428 40 HD2 LYS 6 HD2 LYS 6 2.300 -5.740 -10.935 41 HD3 LYS 6 HD3 LYS 6 3.606 -4.778 -10.240 42 HE2 LYS 6 HE2 LYS 6 4.274 -7.095 -10.337 43 HE3 LYS 6 HE3 LYS 6 4.068 -6.612 -8.654 44 HZ1 LYS 6 HZ1 LYS 6 3.002 -8.816 -9.726 45 HZ2 LYS 6 HZ2 LYS 6 1.713 -7.736 -9.906 46 HZ3 LYS 6 HZ3 LYS 6 2.367 -8.024 -8.373 47 H LEU 7 H LEU 7 -0.854 -1.368 -9.158 48 HA LEU 7 HA LEU 7 -2.209 -1.395 -11.716 49 HB2 LEU 7 HB2 LEU 7 -3.091 0.234 -9.372 50 HB3 LEU 7 HB3 LEU 7 -4.064 -0.553 -10.614 51 HG LEU 7 HG LEU 7 -2.562 -2.045 -8.468 52 HD11 LEU 7 HD11 LEU 7 -5.323 -2.223 -8.037 53 HD12 LEU 7 HD12 LEU 7 -4.979 -0.510 -8.279 54 HD13 LEU 7 HD13 LEU 7 -4.124 -1.413 -7.028 55 HD21 LEU 7 HD21 LEU 7 -4.501 -3.691 -9.200 56 HD22 LEU 7 HD22 LEU 7 -2.961 -3.629 -10.058 57 HD23 LEU 7 HD23 LEU 7 -4.368 -2.786 -10.707 58 H VAL 8 H VAL 8 -0.924 1.091 -9.512 59 HA VAL 8 HA VAL 8 -1.377 3.269 -11.249 60 HB VAL 8 HB VAL 8 0.655 3.006 -9.028 61 HG11 VAL 8 HG11 VAL 8 -0.069 5.655 -9.224 62 HG12 VAL 8 HG12 VAL 8 1.434 4.946 -9.817 63 HG13 VAL 8 HG13 VAL 8 0.063 5.148 -10.908 64 HG21 VAL 8 HG21 VAL 8 -0.964 3.453 -7.541 65 HG22 VAL 8 HG22 VAL 8 -1.751 4.622 -8.602 66 HG23 VAL 8 HG23 VAL 8 -2.062 2.898 -8.805 67 H ALA 9 H ALA 9 1.093 0.862 -11.124 68 HA ALA 9 HA ALA 9 3.228 2.170 -12.346 69 HB1 ALA 9 HB1 ALA 9 2.402 -0.611 -11.935 70 HB2 ALA 9 HB2 ALA 9 3.441 -0.356 -13.339 71 HB3 ALA 9 HB3 ALA 9 3.983 0.148 -11.738 72 H LYS 10 H LYS 10 0.206 1.135 -13.650 73 HA LYS 10 HA LYS 10 1.160 1.760 -16.368 74 HB2 LYS 10 HB2 LYS 10 -1.234 0.061 -15.659 75 HB3 LYS 10 HB3 LYS 10 -0.521 0.284 -17.251 76 HG2 LYS 10 HG2 LYS 10 1.492 -0.879 -16.528 77 HG3 LYS 10 HG3 LYS 10 0.804 -1.081 -14.916 78 HD2 LYS 10 HD2 LYS 10 0.419 -3.128 -16.007 79 HD3 LYS 10 HD3 LYS 10 -1.128 -2.280 -16.068 80 HE2 LYS 10 HE2 LYS 10 0.797 -1.965 -18.325 81 HE3 LYS 10 HE3 LYS 10 -0.144 -3.451 -18.203 82 HZ1 LYS 10 HZ1 LYS 10 -1.786 -1.162 -17.825 83 HZ2 LYS 10 HZ2 LYS 10 -1.935 -2.411 -18.956 84 HZ3 LYS 10 HZ3 LYS 10 -0.964 -1.070 -19.302 85 H PHE 11 H PHE 11 -1.329 2.273 -13.959 86 HA PHE 11 HA PHE 11 -2.959 3.919 -15.663 87 HB2 PHE 11 HB2 PHE 11 -3.008 3.504 -12.666 88 HB3 PHE 11 HB3 PHE 11 -4.222 4.394 -13.578 89 HD1 PHE 11 HD1 PHE 11 -4.520 2.660 -15.949 90 HD2 PHE 11 HD2 PHE 11 -4.168 1.679 -11.822 91 HE1 PHE 11 HE1 PHE 11 -5.756 0.570 -16.343 92 HE2 PHE 11 HE2 PHE 11 -5.403 -0.413 -12.210 93 HZ PHE 11 HZ PHE 11 -6.198 -0.971 -14.473 94 H GLY 12 H GLY 12 -1.226 4.661 -12.628 95 HA2 GLY 12 HA2 GLY 12 0.438 6.477 -12.677 96 HA3 GLY 12 HA3 GLY 12 -0.653 7.333 -13.756 97 H TRP 13 H TRP 13 0.168 8.733 -11.671 98 HA TRP 13 HA TRP 13 -1.364 8.436 -9.305 99 HB2 TRP 13 HB2 TRP 13 -0.330 11.109 -10.157 100 HB3 TRP 13 HB3 TRP 13 -0.328 10.365 -8.561 101 HD1 TRP 13 HD1 TRP 13 2.017 11.313 -11.124 102 HE1 TRP 13 HE1 TRP 13 4.212 9.978 -10.963 103 HE3 TRP 13 HE3 TRP 13 0.453 7.548 -8.039 104 HZ2 TRP 13 HZ2 TRP 13 5.155 7.638 -9.697 105 HZ3 TRP 13 HZ3 TRP 13 2.064 5.800 -7.401 106 HH2 TRP 13 HH2 TRP 13 4.365 5.846 -8.215 107 HA PRO 14 HA PRO 14 -4.116 11.928 -11.237 108 HB2 PRO 14 HB2 PRO 14 -3.880 12.312 -13.915 109 HB3 PRO 14 HB3 PRO 14 -2.907 13.191 -12.729 110 HG2 PRO 14 HG2 PRO 14 -2.182 10.795 -14.371 111 HG3 PRO 14 HG3 PRO 14 -1.218 12.240 -14.013 112 HD2 PRO 14 HD2 PRO 14 -0.872 9.896 -12.702 113 HD3 PRO 14 HD3 PRO 14 -0.610 11.472 -11.926 114 H PHE 15 H PHE 15 -3.492 8.830 -12.452 115 HA PHE 15 HA PHE 15 -6.144 8.622 -13.693 116 HB2 PHE 15 HB2 PHE 15 -3.868 7.796 -14.759 117 HB3 PHE 15 HB3 PHE 15 -4.169 6.381 -13.755 118 HD1 PHE 15 HD1 PHE 15 -6.189 5.013 -14.121 119 HD2 PHE 15 HD2 PHE 15 -5.138 8.218 -16.717 120 HE1 PHE 15 HE1 PHE 15 -7.714 4.121 -15.833 121 HE2 PHE 15 HE2 PHE 15 -6.663 7.332 -18.433 122 HZ PHE 15 HZ PHE 15 -7.954 5.282 -17.992 123 H ILE 16 H ILE 16 -4.225 7.543 -11.009 124 HA ILE 16 HA ILE 16 -6.140 5.501 -10.234 125 HB ILE 16 HB ILE 16 -3.670 5.209 -9.901 126 HG12 ILE 16 HG12 ILE 16 -4.010 4.517 -7.382 127 HG13 ILE 16 HG13 ILE 16 -5.687 4.947 -7.702 128 HG21 ILE 16 HG21 ILE 16 -3.148 7.483 -9.194 129 HG22 ILE 16 HG22 ILE 16 -4.091 7.252 -7.723 130 HG23 ILE 16 HG23 ILE 16 -2.623 6.311 -7.986 131 HD11 ILE 16 HD11 ILE 16 -4.094 2.665 -8.668 132 HD12 ILE 16 HD12 ILE 16 -5.807 2.771 -8.262 133 HD13 ILE 16 HD13 ILE 16 -5.229 3.376 -9.815 134 H LYS 17 H LYS 17 -5.289 8.781 -9.413 135 HA LYS 17 HA LYS 17 -6.702 8.885 -6.941 136 HB2 LYS 17 HB2 LYS 17 -6.285 11.227 -6.975 137 HB3 LYS 17 HB3 LYS 17 -4.864 10.456 -7.668 138 HG2 LYS 17 HG2 LYS 17 -5.776 10.956 -9.929 139 HG3 LYS 17 HG3 LYS 17 -7.071 11.868 -9.150 140 HD2 LYS 17 HD2 LYS 17 -5.121 13.120 -7.970 141 HD3 LYS 17 HD3 LYS 17 -4.142 12.472 -9.288 142 HE2 LYS 17 HE2 LYS 17 -5.487 13.573 -10.922 143 HE3 LYS 17 HE3 LYS 17 -6.685 14.030 -9.713 144 HZ1 LYS 17 HZ1 LYS 17 -5.560 15.875 -9.305 145 HZ2 LYS 17 HZ2 LYS 17 -4.469 15.484 -10.538 146 HZ3 LYS 17 HZ3 LYS 17 -4.155 15.003 -8.947 147 H LYS 18 H LYS 18 -7.647 9.010 -10.231 148 HA LYS 18 HA LYS 18 -10.049 10.515 -9.901 149 HB2 LYS 18 HB2 LYS 18 -8.923 8.764 -12.055 150 HB3 LYS 18 HB3 LYS 18 -10.607 9.266 -12.136 151 HG2 LYS 18 HG2 LYS 18 -8.378 11.245 -11.796 152 HG3 LYS 18 HG3 LYS 18 -8.896 10.675 -13.384 153 HD2 LYS 18 HD2 LYS 18 -11.108 11.527 -13.040 154 HD3 LYS 18 HD3 LYS 18 -10.752 11.911 -11.354 155 HE2 LYS 18 HE2 LYS 18 -9.220 13.134 -13.632 156 HE3 LYS 18 HE3 LYS 18 -10.723 13.835 -13.034 157 HZ1 LYS 18 HZ1 LYS 18 -8.307 14.442 -12.077 158 HZ2 LYS 18 HZ2 LYS 18 -8.753 13.215 -11.003 159 HZ3 LYS 18 HZ3 LYS 18 -9.735 14.581 -11.179 160 H PHE 19 H PHE 19 -9.156 7.203 -9.425 161 HA PHE 19 HA PHE 19 -11.878 6.632 -8.516 162 HB2 PHE 19 HB2 PHE 19 -10.310 4.982 -10.497 163 HB3 PHE 19 HB3 PHE 19 -11.659 4.328 -9.575 164 HD1 PHE 19 HD2 PHE 19 -13.933 5.051 -10.011 165 HD2 PHE 19 HD1 PHE 19 -10.662 6.570 -12.271 166 HE1 PHE 19 HE2 PHE 19 -15.503 5.911 -11.698 167 HE2 PHE 19 HE1 PHE 19 -12.226 7.433 -13.962 168 HZ PHE 19 HZ PHE 19 -14.650 7.104 -13.678 169 H TYR 20 H TYR 20 -9.535 7.240 -7.030 170 HA TYR 20 HA TYR 20 -8.261 4.887 -6.080 171 HB2 TYR 20 HB2 TYR 20 -7.312 7.185 -5.880 172 HB3 TYR 20 HB3 TYR 20 -8.540 7.551 -4.675 173 HD1 TYR 20 HD2 TYR 20 -5.802 5.113 -5.368 174 HD2 TYR 20 HD1 TYR 20 -8.064 7.201 -2.432 175 HE1 TYR 20 HE2 TYR 20 -4.333 4.219 -3.609 176 HE2 TYR 20 HE1 TYR 20 -6.601 6.314 -0.665 177 HH TYR 20 HH TYR 20 -4.779 5.128 -0.206 178 H LYS 21 H LYS 21 -11.180 6.585 -5.214 179 HA LYS 21 HA LYS 21 -11.567 5.355 -2.680 180 HB2 LYS 21 HB2 LYS 21 -12.682 7.478 -3.738 181 HB3 LYS 21 HB3 LYS 21 -13.847 6.321 -4.367 182 HG2 LYS 21 HG2 LYS 21 -14.811 7.049 -2.389 183 HG3 LYS 21 HG3 LYS 21 -14.058 5.517 -1.938 184 HD2 LYS 21 HD2 LYS 21 -13.459 6.974 -0.211 185 HD3 LYS 21 HD3 LYS 21 -12.034 6.940 -1.253 186 HE2 LYS 21 HE2 LYS 21 -12.492 9.060 -2.137 187 HE3 LYS 21 HE3 LYS 21 -14.165 9.028 -1.581 188 HZ1 LYS 21 HZ1 LYS 21 -13.478 9.345 0.642 189 HZ2 LYS 21 HZ2 LYS 21 -12.624 10.480 -0.276 190 HZ3 LYS 21 HZ3 LYS 21 -11.849 9.079 0.269 191 H GLN 22 H GLN 22 -12.172 4.384 -5.947 192 HA GLN 22 HA GLN 22 -13.895 2.182 -5.105 193 HB2 GLN 22 HB2 GLN 22 -14.412 3.565 -7.146 194 HB3 GLN 22 HB3 GLN 22 -12.985 2.868 -7.901 195 HG2 GLN 22 HG2 GLN 22 -14.691 1.550 -8.715 196 HG3 GLN 22 HG3 GLN 22 -14.081 0.600 -7.361 197 HE21 GLN 22 HE21 GLN 22 -15.316 0.427 -5.488 198 HE22 GLN 22 HE22 GLN 22 -16.998 0.818 -5.460 199 H ILE 23 H ILE 23 -10.732 2.771 -6.557 200 HA ILE 23 HA ILE 23 -10.082 0.035 -6.963 201 HB ILE 23 HB ILE 23 -8.250 2.420 -6.679 202 HG12 ILE 23 HG12 ILE 23 -8.929 1.063 -9.262 203 HG13 ILE 23 HG13 ILE 23 -10.052 2.234 -8.581 204 HG21 ILE 23 HG21 ILE 23 -7.009 0.409 -6.266 205 HG22 ILE 23 HG22 ILE 23 -7.724 -0.375 -7.674 206 HG23 ILE 23 HG23 ILE 23 -6.619 0.982 -7.888 207 HD11 ILE 23 HD11 ILE 23 -7.368 2.636 -9.758 208 HD12 ILE 23 HD12 ILE 23 -8.830 3.614 -9.895 209 HD13 ILE 23 HD13 ILE 23 -7.850 3.693 -8.431 210 H MET 24 H MET 24 -8.967 2.377 -4.510 211 HA MET 24 HA MET 24 -7.485 0.608 -2.962 212 HB2 MET 24 HB2 MET 24 -7.542 3.114 -2.752 213 HB3 MET 24 HB3 MET 24 -9.071 2.949 -1.901 214 HG2 MET 24 HG2 MET 24 -6.782 1.373 -0.888 215 HG3 MET 24 HG3 MET 24 -6.735 3.119 -0.651 216 HE1 MET 24 HE1 MET 24 -7.854 0.838 2.516 217 HE2 MET 24 HE2 MET 24 -8.245 -0.200 1.145 218 HE3 MET 24 HE3 MET 24 -6.699 0.649 1.196 219 H GLN 25 H GLN 25 -10.911 1.008 -3.223 220 HA GLN 25 HA GLN 25 -11.618 -0.213 -0.750 221 HB2 GLN 25 HB2 GLN 25 -13.027 0.657 -3.201 222 HB3 GLN 25 HB3 GLN 25 -13.804 -0.630 -2.287 223 HG2 GLN 25 HG2 GLN 25 -12.907 1.943 -1.027 224 HG3 GLN 25 HG3 GLN 25 -14.506 1.729 -1.738 225 HE21 GLN 25 HE21 GLN 25 -12.879 1.698 1.076 226 HE22 GLN 25 HE22 GLN 25 -13.881 0.635 1.998 227 H PHE 26 H PHE 26 -10.704 -1.407 -3.866 228 HA PHE 26 HA PHE 26 -11.802 -4.036 -3.508 229 HB2 PHE 26 HB2 PHE 26 -9.748 -2.999 -5.473 230 HB3 PHE 26 HB3 PHE 26 -10.486 -4.596 -5.535 231 HD1 PHE 26 HD2 PHE 26 -13.285 -4.018 -4.944 232 HD2 PHE 26 HD1 PHE 26 -10.498 -1.882 -7.350 233 HE1 PHE 26 HE2 PHE 26 -15.141 -3.109 -6.280 234 HE2 PHE 26 HE1 PHE 26 -12.350 -0.969 -8.689 235 HZ PHE 26 HZ PHE 26 -14.674 -1.583 -8.155 236 H ILE 27 H ILE 27 -8.631 -2.528 -3.129 237 HA ILE 27 HA ILE 27 -7.044 -4.746 -2.720 238 HB ILE 27 HB ILE 27 -6.866 -2.111 -1.254 239 HG12 ILE 27 HG12 ILE 27 -6.839 -1.822 -3.680 240 HG13 ILE 27 HG13 ILE 27 -5.240 -1.514 -3.012 241 HG21 ILE 27 HG21 ILE 27 -5.276 -4.532 -1.134 242 HG22 ILE 27 HG22 ILE 27 -4.317 -3.128 -1.598 243 HG23 ILE 27 HG23 ILE 27 -5.242 -3.106 -0.097 244 HD11 ILE 27 HD11 ILE 27 -4.669 -3.892 -3.638 245 HD12 ILE 27 HD12 ILE 27 -6.176 -3.909 -4.553 246 HD13 ILE 27 HD13 ILE 27 -4.904 -2.762 -4.971 247 H GLY 28 H GLY 28 -8.993 -2.987 -0.320 248 HA2 GLY 28 HA2 GLY 28 -8.267 -4.740 1.828 249 HA3 GLY 28 HA3 GLY 28 -9.532 -3.520 1.860 250 H GLN 29 H GLN 29 -10.599 -4.878 -0.686 251 HA GLN 29 HA GLN 29 -12.459 -6.574 0.694 252 HB2 GLN 29 HB2 GLN 29 -13.324 -5.223 -1.077 253 HB3 GLN 29 HB3 GLN 29 -12.124 -5.830 -2.210 254 HG2 GLN 29 HG2 GLN 29 -13.255 -7.752 -2.601 255 HG3 GLN 29 HG3 GLN 29 -13.929 -7.818 -0.974 256 HE21 GLN 29 HE21 GLN 29 -16.036 -7.598 -0.937 257 HE22 GLN 29 HE22 GLN 29 -16.987 -6.638 -2.013 258 H GLY 30 H GLY 30 -9.628 -7.019 -1.297 259 HA2 GLY 30 HA2 GLY 30 -8.382 -9.093 -0.960 260 HA3 GLY 30 HA3 GLY 30 -9.924 -9.935 -0.934 261 H TRP 31 H TRP 31 -9.328 -7.399 -3.236 262 HA TRP 31 HA TRP 31 -9.775 -9.226 -5.414 263 HB2 TRP 31 HB2 TRP 31 -9.463 -6.267 -5.136 264 HB3 TRP 31 HB3 TRP 31 -9.231 -6.993 -6.724 265 HD1 TRP 31 HD1 TRP 31 -11.867 -8.473 -4.409 266 HE1 TRP 31 HE1 TRP 31 -14.199 -7.982 -5.380 267 HE3 TRP 31 HE3 TRP 31 -10.525 -5.279 -8.169 268 HZ2 TRP 31 HZ2 TRP 31 -15.322 -6.444 -7.464 269 HZ3 TRP 31 HZ3 TRP 31 -12.289 -4.342 -9.606 270 HH2 TRP 31 HH2 TRP 31 -14.637 -4.915 -9.260 271 H THR 32 H THR 32 -8.353 -9.511 -7.220 272 HA THR 32 HA THR 32 -5.569 -9.690 -6.392 273 HB THR 32 HB THR 32 -5.218 -11.129 -8.256 274 HG1 THR 32 HG1 THR 32 -6.325 -10.903 -10.044 275 HG21 THR 32 HG21 THR 32 -6.842 -11.819 -6.275 276 HG22 THR 32 HG22 THR 32 -6.518 -12.905 -7.626 277 HG23 THR 32 HG23 THR 32 -8.000 -11.950 -7.597 278 H ILE 33 H ILE 33 -3.849 -9.095 -7.946 279 HA ILE 33 HA ILE 33 -3.968 -6.390 -8.634 280 HB ILE 33 HB ILE 33 -2.083 -8.488 -9.718 281 HG12 ILE 33 HG12 ILE 33 -1.601 -6.564 -7.443 282 HG13 ILE 33 HG13 ILE 33 -2.231 -8.188 -7.189 283 HG21 ILE 33 HG21 ILE 33 -1.993 -6.535 -11.098 284 HG22 ILE 33 HG22 ILE 33 -1.923 -5.480 -9.687 285 HG23 ILE 33 HG23 ILE 33 -0.565 -6.541 -10.063 286 HD11 ILE 33 HD11 ILE 33 -0.181 -9.005 -7.220 287 HD12 ILE 33 HD12 ILE 33 0.086 -8.348 -8.835 288 HD13 ILE 33 HD13 ILE 33 0.450 -7.370 -7.414 289 H ASP 34 H ASP 34 -4.912 -9.215 -10.392 290 HA ASP 34 HA ASP 34 -4.950 -7.897 -12.964 291 HB2 ASP 34 HB2 ASP 34 -6.289 -10.514 -12.305 292 HB3 ASP 34 HB3 ASP 34 -5.667 -9.964 -13.859 293 H GLN 35 H GLN 35 -7.191 -8.624 -10.382 294 HA GLN 35 HA GLN 35 -9.616 -8.269 -11.699 295 HB2 GLN 35 HB2 GLN 35 -8.736 -7.832 -8.865 296 HB3 GLN 35 HB3 GLN 35 -10.370 -7.412 -9.360 297 HG2 GLN 35 HG2 GLN 35 -10.272 -9.884 -10.343 298 HG3 GLN 35 HG3 GLN 35 -9.105 -10.062 -9.034 299 HE21 GLN 35 HE21 GLN 35 -12.387 -8.980 -9.749 300 HE22 GLN 35 HE22 GLN 35 -13.050 -9.390 -8.208 301 H ILE 36 H ILE 36 -7.550 -5.862 -10.102 302 HA ILE 36 HA ILE 36 -9.265 -3.669 -10.766 303 HB ILE 36 HB ILE 36 -6.384 -3.664 -9.859 304 HG12 ILE 36 HG12 ILE 36 -7.727 -2.785 -7.731 305 HG13 ILE 36 HG13 ILE 36 -9.008 -3.757 -8.447 306 HG21 ILE 36 HG21 ILE 36 -6.877 -1.591 -10.958 307 HG22 ILE 36 HG22 ILE 36 -8.398 -1.434 -10.080 308 HG23 ILE 36 HG23 ILE 36 -6.865 -1.309 -9.218 309 HD11 ILE 36 HD11 ILE 36 -7.861 -5.731 -8.136 310 HD12 ILE 36 HD12 ILE 36 -6.294 -4.926 -8.039 311 HD13 ILE 36 HD13 ILE 36 -7.431 -4.809 -6.696 312 H GLU 37 H GLU 37 -6.067 -4.718 -11.940 313 HA GLU 37 HA GLU 37 -5.664 -2.804 -13.885 314 HB2 GLU 37 HB2 GLU 37 -4.815 -5.664 -13.627 315 HB3 GLU 37 HB3 GLU 37 -4.452 -4.784 -15.105 316 HG2 GLU 37 HG2 GLU 37 -3.694 -3.758 -12.389 317 HG3 GLU 37 HG3 GLU 37 -2.655 -4.827 -13.329 318 H LYS 38 H LYS 38 -7.781 -5.572 -13.930 319 HA LYS 38 HA LYS 38 -8.355 -5.258 -16.767 320 HB2 LYS 38 HB2 LYS 38 -9.285 -7.216 -14.672 321 HB3 LYS 38 HB3 LYS 38 -9.979 -7.168 -16.287 322 HG2 LYS 38 HG2 LYS 38 -7.024 -7.419 -15.935 323 HG3 LYS 38 HG3 LYS 38 -8.068 -8.831 -15.759 324 HD2 LYS 38 HD2 LYS 38 -9.042 -8.177 -18.027 325 HD3 LYS 38 HD3 LYS 38 -7.657 -7.094 -18.179 326 HE2 LYS 38 HE2 LYS 38 -6.164 -8.811 -18.384 327 HE3 LYS 38 HE3 LYS 38 -7.138 -9.918 -17.418 328 HZ1 LYS 38 HZ1 LYS 38 -8.643 -10.189 -19.263 329 HZ2 LYS 38 HZ2 LYS 38 -7.068 -10.539 -19.770 330 HZ3 LYS 38 HZ3 LYS 38 -7.782 -9.064 -20.189 331 H TRP 39 H TRP 39 -9.710 -4.461 -13.668 332 HA TRP 39 HA TRP 39 -12.368 -3.968 -14.520 333 HB2 TRP 39 HB2 TRP 39 -11.770 -4.308 -12.156 334 HB3 TRP 39 HB3 TRP 39 -10.862 -2.799 -12.171 335 HD1 TRP 39 HD1 TRP 39 -14.454 -4.131 -12.185 336 HE1 TRP 39 HE1 TRP 39 -16.041 -2.214 -11.530 337 HE3 TRP 39 HE3 TRP 39 -11.103 -0.270 -12.173 338 HZ2 TRP 39 HZ2 TRP 39 -15.893 0.567 -11.070 339 HZ3 TRP 39 HZ3 TRP 39 -11.907 1.988 -11.616 340 HH2 TRP 39 HH2 TRP 39 -14.253 2.395 -11.076 341 H LEU 40 H LEU 40 -9.545 -1.860 -14.091 342 HA LEU 40 HA LEU 40 -11.020 0.367 -15.279 343 HB2 LEU 40 HB2 LEU 40 -9.623 0.611 -13.187 344 HB3 LEU 40 HB3 LEU 40 -8.207 0.390 -14.213 345 HG LEU 40 HG LEU 40 -8.686 2.429 -15.400 346 HD11 LEU 40 HD11 LEU 40 -11.096 2.344 -15.443 347 HD12 LEU 40 HD12 LEU 40 -10.573 3.870 -14.731 348 HD13 LEU 40 HD13 LEU 40 -11.168 2.573 -13.695 349 HD21 LEU 40 HD21 LEU 40 -7.564 2.420 -13.091 350 HD22 LEU 40 HD22 LEU 40 -9.079 3.109 -12.505 351 HD23 LEU 40 HD23 LEU 40 -8.136 3.962 -13.729 352 H LYS 41 H LYS 41 -10.262 -1.919 -16.890 353 HA LYS 41 HA LYS 41 -8.116 -0.887 -18.585 354 HB2 LYS 41 HB2 LYS 41 -8.147 -3.293 -17.940 355 HB3 LYS 41 HB3 LYS 41 -9.659 -3.476 -18.820 356 HG2 LYS 41 HG2 LYS 41 -7.932 -4.268 -20.228 357 HG3 LYS 41 HG3 LYS 41 -8.447 -2.709 -20.876 358 HD2 LYS 41 HD2 LYS 41 -6.118 -2.595 -20.952 359 HD3 LYS 41 HD3 LYS 41 -6.527 -1.728 -19.470 360 HE2 LYS 41 HE2 LYS 41 -4.746 -3.124 -18.867 361 HE3 LYS 41 HE3 LYS 41 -6.183 -3.957 -18.276 362 HZ1 LYS 41 HZ1 LYS 41 -5.773 -5.685 -19.588 363 HZ2 LYS 41 HZ2 LYS 41 -4.247 -5.018 -19.884 364 HZ3 LYS 41 HZ3 LYS 41 -5.525 -4.713 -20.950 365 H ARG 42 H ARG 42 -11.569 -1.327 -18.526 366 HA ARG 42 HA ARG 42 -11.764 0.160 -21.038 367 HB2 ARG 42 HB2 ARG 42 -11.975 -2.324 -21.479 368 HB3 ARG 42 HB3 ARG 42 -13.448 -2.289 -20.519 369 HG2 ARG 42 HG2 ARG 42 -14.267 -0.496 -22.123 370 HG3 ARG 42 HG3 ARG 42 -12.908 -0.957 -23.151 371 HD2 ARG 42 HD2 ARG 42 -13.764 -3.071 -23.557 372 HD3 ARG 42 HD3 ARG 42 -14.777 -3.046 -22.114 373 HE ARG 42 HE ARG 42 -15.503 -2.164 -24.710 374 HH11 ARG 42 HH11 ARG 42 -15.929 -1.442 -21.331 375 HH12 ARG 42 HH12 ARG 42 -17.473 -0.688 -21.553 376 HH21 ARG 42 HH21 ARG 42 -17.535 -1.174 -25.015 377 HH22 ARG 42 HH22 ARG 42 -18.386 -0.538 -23.649 378 H HIS 43 H HIS 43 -12.143 1.627 -19.026 379 HA HIS 43 HA HIS 43 -14.444 1.533 -17.492 380 HB2 HIS 43 HB2 HIS 43 -14.146 3.879 -17.100 381 HB3 HIS 43 HB3 HIS 43 -12.545 3.161 -17.246 382 HD1 HIS 43 HD1 HIS 43 -11.292 3.601 -19.560 383 HD2 HIS 43 HD2 HIS 43 -14.688 5.894 -18.876 384 HE1 HIS 43 HE1 HIS 43 -11.162 5.501 -21.203 Start of MODEL 12 1 HCN FME 1 HF FME 1 -3.202 -0.303 1.239 2 HA FME 1 HA FME 1 -0.167 1.878 -0.740 3 HB2 FME 1 HB2 FME 1 0.254 1.323 2.216 4 HB3 FME 1 HB3 FME 1 -0.926 2.555 1.644 5 HG2 FME 1 HG2 FME 1 1.169 3.371 0.121 6 HG3 FME 1 HG3 FME 1 2.126 2.560 1.412 7 HE1 FME 1 HE8 FME 1 1.657 3.576 4.397 8 HE2 FME 1 HE2 FME 1 2.618 5.013 3.858 9 HE3 FME 1 HE3 FME 1 2.891 3.390 3.086 10 H GLY 2 H GLY 2 -0.028 -0.063 -2.071 11 HA2 GLY 2 HA2 GLY 2 2.472 -1.000 -2.202 12 HA3 GLY 2 HA3 GLY 2 1.763 -2.109 -1.038 13 H ALA 3 H ALA 3 -0.669 -2.671 -1.959 14 HA ALA 3 HA ALA 3 -0.145 -4.396 -4.156 15 HB1 ALA 3 HB1 ALA 3 -2.651 -3.682 -2.660 16 HB2 ALA 3 HB2 ALA 3 -2.651 -4.801 -4.024 17 HB3 ALA 3 HB3 ALA 3 -1.709 -5.171 -2.579 18 H ILE 4 H ILE 4 -1.615 -1.237 -3.833 19 HA ILE 4 HA ILE 4 -2.882 -1.126 -6.352 20 HB ILE 4 HB ILE 4 -1.788 1.147 -4.690 21 HG12 ILE 4 HG12 ILE 4 -4.489 1.213 -4.395 22 HG13 ILE 4 HG13 ILE 4 -4.221 -0.521 -4.532 23 HG21 ILE 4 HG21 ILE 4 -3.117 1.055 -7.275 24 HG22 ILE 4 HG22 ILE 4 -3.957 2.076 -6.109 25 HG23 ILE 4 HG23 ILE 4 -2.262 2.381 -6.488 26 HD11 ILE 4 HD11 ILE 4 -3.815 -0.481 -2.352 27 HD12 ILE 4 HD12 ILE 4 -2.280 0.289 -2.755 28 HD13 ILE 4 HD13 ILE 4 -3.678 1.277 -2.330 29 H ALA 5 H ALA 5 0.416 -0.827 -5.392 30 HA ALA 5 HA ALA 5 1.523 0.769 -7.349 31 HB1 ALA 5 HB1 ALA 5 3.583 -0.597 -7.062 32 HB2 ALA 5 HB2 ALA 5 2.864 -0.059 -5.544 33 HB3 ALA 5 HB3 ALA 5 2.645 -1.724 -6.081 34 H LYS 6 H LYS 6 0.729 -2.684 -7.527 35 HA LYS 6 HA LYS 6 1.791 -3.268 -10.019 36 HB2 LYS 6 HB2 LYS 6 -0.783 -4.353 -8.861 37 HB3 LYS 6 HB3 LYS 6 0.190 -5.107 -10.117 38 HG2 LYS 6 HG2 LYS 6 1.388 -4.518 -7.445 39 HG3 LYS 6 HG3 LYS 6 0.374 -5.944 -7.676 40 HD2 LYS 6 HD2 LYS 6 1.866 -6.930 -9.139 41 HD3 LYS 6 HD3 LYS 6 2.599 -5.389 -9.592 42 HE2 LYS 6 HE2 LYS 6 2.849 -6.425 -6.795 43 HE3 LYS 6 HE3 LYS 6 3.909 -7.030 -8.067 44 HZ1 LYS 6 HZ1 LYS 6 3.595 -4.131 -7.628 45 HZ2 LYS 6 HZ2 LYS 6 4.872 -4.962 -8.361 46 HZ3 LYS 6 HZ3 LYS 6 4.672 -5.031 -6.683 47 H LEU 7 H LEU 7 -1.169 -1.598 -9.182 48 HA LEU 7 HA LEU 7 -2.129 -1.582 -11.914 49 HB2 LEU 7 HB2 LEU 7 -3.247 0.138 -9.743 50 HB3 LEU 7 HB3 LEU 7 -4.072 -0.617 -11.106 51 HG LEU 7 HG LEU 7 -2.998 -2.145 -8.739 52 HD11 LEU 7 HD11 LEU 7 -5.659 -2.289 -8.458 53 HD12 LEU 7 HD12 LEU 7 -5.522 -0.665 -9.131 54 HD13 LEU 7 HD13 LEU 7 -4.663 -1.079 -7.648 55 HD21 LEU 7 HD21 LEU 7 -4.858 -3.724 -9.711 56 HD22 LEU 7 HD22 LEU 7 -3.231 -3.714 -10.393 57 HD23 LEU 7 HD23 LEU 7 -4.531 -2.834 -11.198 58 H VAL 8 H VAL 8 -0.601 0.636 -9.647 59 HA VAL 8 HA VAL 8 -0.829 2.944 -11.303 60 HB VAL 8 HB VAL 8 1.185 2.462 -9.105 61 HG11 VAL 8 HG11 VAL 8 0.677 4.660 -10.865 62 HG12 VAL 8 HG12 VAL 8 0.316 5.137 -9.205 63 HG13 VAL 8 HG13 VAL 8 1.909 4.498 -9.614 64 HG21 VAL 8 HG21 VAL 8 -0.634 2.240 -7.803 65 HG22 VAL 8 HG22 VAL 8 -0.763 3.989 -7.984 66 HG23 VAL 8 HG23 VAL 8 -1.713 2.923 -9.019 67 H ALA 9 H ALA 9 1.155 0.199 -11.419 68 HA ALA 9 HA ALA 9 3.582 1.183 -12.361 69 HB1 ALA 9 HB1 ALA 9 2.176 -1.379 -12.405 70 HB2 ALA 9 HB2 ALA 9 3.293 -1.152 -13.751 71 HB3 ALA 9 HB3 ALA 9 3.875 -1.020 -12.092 72 H LYS 10 H LYS 10 0.495 1.038 -13.895 73 HA LYS 10 HA LYS 10 1.719 1.972 -16.408 74 HB2 LYS 10 HB2 LYS 10 -0.785 0.305 -16.087 75 HB3 LYS 10 HB3 LYS 10 -0.183 0.949 -17.609 76 HG2 LYS 10 HG2 LYS 10 1.352 -0.962 -15.864 77 HG3 LYS 10 HG3 LYS 10 0.341 -1.449 -17.226 78 HD2 LYS 10 HD2 LYS 10 1.756 0.158 -18.622 79 HD3 LYS 10 HD3 LYS 10 2.872 0.173 -17.255 80 HE2 LYS 10 HE2 LYS 10 3.671 -1.479 -18.746 81 HE3 LYS 10 HE3 LYS 10 2.907 -2.346 -17.415 82 HZ1 LYS 10 HZ1 LYS 10 2.410 -2.809 -20.005 83 HZ2 LYS 10 HZ2 LYS 10 1.156 -1.737 -19.634 84 HZ3 LYS 10 HZ3 LYS 10 1.330 -3.171 -18.754 85 H PHE 11 H PHE 11 -1.233 2.042 -14.427 86 HA PHE 11 HA PHE 11 -2.512 4.149 -15.739 87 HB2 PHE 11 HB2 PHE 11 -2.650 3.401 -12.810 88 HB3 PHE 11 HB3 PHE 11 -3.802 4.429 -13.655 89 HD1 PHE 11 HD1 PHE 11 -3.961 2.861 -16.223 90 HD2 PHE 11 HD2 PHE 11 -4.056 1.644 -12.145 91 HE1 PHE 11 HE1 PHE 11 -5.272 0.876 -16.849 92 HE2 PHE 11 HE2 PHE 11 -5.366 -0.344 -12.765 93 HZ PHE 11 HZ PHE 11 -5.975 -0.730 -15.120 94 H GLY 12 H GLY 12 -1.063 4.483 -12.503 95 HA2 GLY 12 HA2 GLY 12 0.802 6.112 -12.259 96 HA3 GLY 12 HA3 GLY 12 -0.114 7.157 -13.335 97 H TRP 13 H TRP 13 0.604 8.320 -11.096 98 HA TRP 13 HA TRP 13 -1.106 7.940 -8.872 99 HB2 TRP 13 HB2 TRP 13 0.112 10.610 -9.447 100 HB3 TRP 13 HB3 TRP 13 -0.030 9.750 -7.916 101 HD1 TRP 13 HD1 TRP 13 2.516 10.738 -10.281 102 HE1 TRP 13 HE1 TRP 13 4.632 9.288 -10.070 103 HE3 TRP 13 HE3 TRP 13 0.592 6.894 -7.513 104 HZ2 TRP 13 HZ2 TRP 13 5.386 6.838 -8.887 105 HZ3 TRP 13 HZ3 TRP 13 2.077 5.035 -6.884 106 HH2 TRP 13 HH2 TRP 13 4.424 5.009 -7.558 107 HA PRO 14 HA PRO 14 -3.546 11.709 -10.700 108 HB2 PRO 14 HB2 PRO 14 -3.108 12.280 -13.318 109 HB3 PRO 14 HB3 PRO 14 -2.179 13.014 -12.005 110 HG2 PRO 14 HG2 PRO 14 -1.458 10.713 -13.780 111 HG3 PRO 14 HG3 PRO 14 -0.453 12.074 -13.248 112 HD2 PRO 14 HD2 PRO 14 -0.311 9.623 -12.106 113 HD3 PRO 14 HD3 PRO 14 -0.028 11.119 -11.193 114 H PHE 15 H PHE 15 -2.987 8.684 -12.119 115 HA PHE 15 HA PHE 15 -5.566 8.711 -13.523 116 HB2 PHE 15 HB2 PHE 15 -3.292 7.894 -14.565 117 HB3 PHE 15 HB3 PHE 15 -3.652 6.416 -13.679 118 HD1 PHE 15 HD2 PHE 15 -5.600 5.063 -14.257 119 HD2 PHE 15 HD1 PHE 15 -4.567 8.540 -16.484 120 HE1 PHE 15 HE2 PHE 15 -7.080 4.330 -16.081 121 HE2 PHE 15 HE1 PHE 15 -6.045 7.813 -18.312 122 HZ PHE 15 HZ PHE 15 -7.303 5.705 -18.112 123 H ILE 16 H ILE 16 -3.831 7.284 -10.869 124 HA ILE 16 HA ILE 16 -5.902 5.303 -10.375 125 HB ILE 16 HB ILE 16 -3.471 4.801 -10.006 126 HG12 ILE 16 HG12 ILE 16 -4.099 4.069 -7.439 127 HG13 ILE 16 HG13 ILE 16 -5.693 4.334 -8.138 128 HG21 ILE 16 HG21 ILE 16 -3.005 7.062 -8.984 129 HG22 ILE 16 HG22 ILE 16 -3.755 6.453 -7.510 130 HG23 ILE 16 HG23 ILE 16 -2.304 5.679 -8.145 131 HD11 ILE 16 HD11 ILE 16 -5.375 2.674 -9.757 132 HD12 ILE 16 HD12 ILE 16 -3.635 2.616 -9.476 133 HD13 ILE 16 HD13 ILE 16 -4.746 1.989 -8.259 134 H LYS 17 H LYS 17 -4.862 8.414 -9.199 135 HA LYS 17 HA LYS 17 -6.273 8.396 -6.743 136 HB2 LYS 17 HB2 LYS 17 -5.820 10.732 -6.636 137 HB3 LYS 17 HB3 LYS 17 -4.419 9.978 -7.384 138 HG2 LYS 17 HG2 LYS 17 -5.219 10.668 -9.586 139 HG3 LYS 17 HG3 LYS 17 -6.626 11.425 -8.836 140 HD2 LYS 17 HD2 LYS 17 -4.882 12.744 -7.453 141 HD3 LYS 17 HD3 LYS 17 -3.744 12.239 -8.704 142 HE2 LYS 17 HE2 LYS 17 -5.343 13.197 -10.392 143 HE3 LYS 17 HE3 LYS 17 -6.251 13.876 -9.042 144 HZ1 LYS 17 HZ1 LYS 17 -4.306 15.128 -8.389 145 HZ2 LYS 17 HZ2 LYS 17 -4.695 15.474 -9.998 146 HZ3 LYS 17 HZ3 LYS 17 -3.398 14.447 -9.644 147 H LYS 18 H LYS 18 -7.262 8.794 -10.006 148 HA LYS 18 HA LYS 18 -9.572 10.363 -9.646 149 HB2 LYS 18 HB2 LYS 18 -8.815 8.314 -11.725 150 HB3 LYS 18 HB3 LYS 18 -10.325 9.214 -11.794 151 HG2 LYS 18 HG2 LYS 18 -8.897 11.314 -11.696 152 HG3 LYS 18 HG3 LYS 18 -7.521 10.258 -12.021 153 HD2 LYS 18 HD2 LYS 18 -8.883 9.412 -14.020 154 HD3 LYS 18 HD3 LYS 18 -9.901 10.832 -13.762 155 HE2 LYS 18 HE2 LYS 18 -6.931 10.833 -14.292 156 HE3 LYS 18 HE3 LYS 18 -8.193 11.281 -15.439 157 HZ1 LYS 18 HZ1 LYS 18 -8.674 12.841 -13.248 158 HZ2 LYS 18 HZ2 LYS 18 -7.934 13.340 -14.685 159 HZ3 LYS 18 HZ3 LYS 18 -6.987 12.841 -13.375 160 H PHE 19 H PHE 19 -8.914 6.994 -9.088 161 HA PHE 19 HA PHE 19 -11.586 6.694 -7.944 162 HB2 PHE 19 HB2 PHE 19 -10.387 4.743 -9.922 163 HB3 PHE 19 HB3 PHE 19 -11.870 4.482 -9.010 164 HD1 PHE 19 HD2 PHE 19 -10.295 6.568 -11.616 165 HD2 PHE 19 HD1 PHE 19 -13.922 5.392 -9.724 166 HE1 PHE 19 HE2 PHE 19 -11.579 7.678 -13.396 167 HE2 PHE 19 HE1 PHE 19 -15.212 6.500 -11.502 168 HZ PHE 19 HZ PHE 19 -14.041 7.646 -13.340 169 H TYR 20 H TYR 20 -8.954 7.027 -6.793 170 HA TYR 20 HA TYR 20 -7.857 4.584 -5.924 171 HB2 TYR 20 HB2 TYR 20 -6.538 6.572 -5.737 172 HB3 TYR 20 HB3 TYR 20 -7.758 7.362 -4.744 173 HD1 TYR 20 HD2 TYR 20 -5.313 4.569 -4.773 174 HD2 TYR 20 HD1 TYR 20 -7.714 7.161 -2.403 175 HE1 TYR 20 HE2 TYR 20 -4.179 3.758 -2.747 176 HE2 TYR 20 HE1 TYR 20 -6.585 6.358 -0.370 177 HH TYR 20 HH TYR 20 -4.806 5.192 0.409 178 H LYS 21 H LYS 21 -10.601 6.413 -4.873 179 HA LYS 21 HA LYS 21 -10.855 5.358 -2.262 180 HB2 LYS 21 HB2 LYS 21 -12.033 7.389 -3.119 181 HB3 LYS 21 HB3 LYS 21 -13.065 6.336 -4.078 182 HG2 LYS 21 HG2 LYS 21 -14.155 5.493 -2.217 183 HG3 LYS 21 HG3 LYS 21 -12.854 5.961 -1.120 184 HD2 LYS 21 HD2 LYS 21 -14.751 7.422 -0.793 185 HD3 LYS 21 HD3 LYS 21 -13.424 8.334 -1.515 186 HE2 LYS 21 HE2 LYS 21 -14.491 7.965 -3.744 187 HE3 LYS 21 HE3 LYS 21 -15.869 7.252 -2.907 188 HZ1 LYS 21 HZ1 LYS 21 -14.998 9.897 -2.033 189 HZ2 LYS 21 HZ2 LYS 21 -16.558 9.253 -2.141 190 HZ3 LYS 21 HZ3 LYS 21 -15.771 9.801 -3.535 191 H GLN 22 H GLN 22 -11.828 4.203 -5.418 192 HA GLN 22 HA GLN 22 -13.331 1.992 -4.256 193 HB2 GLN 22 HB2 GLN 22 -13.992 3.354 -6.367 194 HB3 GLN 22 HB3 GLN 22 -12.807 2.350 -7.190 195 HG2 GLN 22 HG2 GLN 22 -14.573 1.020 -7.550 196 HG3 GLN 22 HG3 GLN 22 -14.220 0.451 -5.919 197 HE21 GLN 22 HE21 GLN 22 -16.739 0.314 -7.168 198 HE22 GLN 22 HE22 GLN 22 -17.834 1.311 -6.278 199 H ILE 23 H ILE 23 -10.460 2.539 -6.261 200 HA ILE 23 HA ILE 23 -9.728 -0.096 -6.727 201 HB ILE 23 HB ILE 23 -7.903 2.267 -6.271 202 HG12 ILE 23 HG12 ILE 23 -8.497 1.187 -8.976 203 HG13 ILE 23 HG13 ILE 23 -9.775 2.103 -8.183 204 HG21 ILE 23 HG21 ILE 23 -6.574 0.326 -6.074 205 HG22 ILE 23 HG22 ILE 23 -7.400 -0.467 -7.414 206 HG23 ILE 23 HG23 ILE 23 -6.338 0.907 -7.722 207 HD11 ILE 23 HD11 ILE 23 -7.317 3.016 -9.425 208 HD12 ILE 23 HD12 ILE 23 -8.796 3.899 -9.047 209 HD13 ILE 23 HD13 ILE 23 -7.560 3.680 -7.809 210 H MET 24 H MET 24 -8.364 2.013 -4.186 211 HA MET 24 HA MET 24 -6.975 0.032 -2.819 212 HB2 MET 24 HB2 MET 24 -6.941 2.605 -2.530 213 HB3 MET 24 HB3 MET 24 -8.256 2.345 -1.392 214 HG2 MET 24 HG2 MET 24 -5.803 0.719 -1.053 215 HG3 MET 24 HG3 MET 24 -5.722 2.429 -0.639 216 HE1 MET 24 HE1 MET 24 -6.438 3.492 1.011 217 HE2 MET 24 HE2 MET 24 -7.922 3.207 1.919 218 HE3 MET 24 HE3 MET 24 -6.374 2.659 2.564 219 H GLN 25 H GLN 25 -10.355 0.762 -2.855 220 HA GLN 25 HA GLN 25 -11.014 -0.560 -0.407 221 HB2 GLN 25 HB2 GLN 25 -12.485 0.702 -2.637 222 HB3 GLN 25 HB3 GLN 25 -13.344 -0.579 -1.791 223 HG2 GLN 25 HG2 GLN 25 -12.045 1.693 -0.328 224 HG3 GLN 25 HG3 GLN 25 -13.680 1.807 -0.979 225 HE21 GLN 25 HE21 GLN 25 -15.021 1.674 0.675 226 HE22 GLN 25 HE22 GLN 25 -14.971 0.484 1.927 227 H PHE 26 H PHE 26 -10.529 -1.550 -3.693 228 HA PHE 26 HA PHE 26 -11.911 -4.047 -3.479 229 HB2 PHE 26 HB2 PHE 26 -9.901 -2.997 -5.474 230 HB3 PHE 26 HB3 PHE 26 -10.662 -4.578 -5.611 231 HD1 PHE 26 HD2 PHE 26 -13.416 -4.012 -4.814 232 HD2 PHE 26 HD1 PHE 26 -10.739 -1.746 -7.226 233 HE1 PHE 26 HE2 PHE 26 -15.331 -2.989 -5.972 234 HE2 PHE 26 HE1 PHE 26 -12.650 -0.719 -8.388 235 HZ PHE 26 HZ PHE 26 -14.949 -1.341 -7.763 236 H ILE 27 H ILE 27 -8.605 -2.958 -3.018 237 HA ILE 27 HA ILE 27 -7.239 -5.357 -2.972 238 HB ILE 27 HB ILE 27 -6.781 -2.987 -1.156 239 HG12 ILE 27 HG12 ILE 27 -6.776 -2.426 -3.566 240 HG13 ILE 27 HG13 ILE 27 -5.183 -2.246 -2.840 241 HG21 ILE 27 HG21 ILE 27 -5.475 -5.546 -1.359 242 HG22 ILE 27 HG22 ILE 27 -4.360 -4.238 -1.753 243 HG23 ILE 27 HG23 ILE 27 -5.208 -4.237 -0.207 244 HD11 ILE 27 HD11 ILE 27 -5.376 -4.883 -3.837 245 HD12 ILE 27 HD12 ILE 27 -5.944 -3.782 -5.092 246 HD13 ILE 27 HD13 ILE 27 -4.341 -3.567 -4.391 247 H GLY 28 H GLY 28 -9.065 -3.810 -0.353 248 HA2 GLY 28 HA2 GLY 28 -8.438 -5.793 1.595 249 HA3 GLY 28 HA3 GLY 28 -9.719 -4.595 1.710 250 H GLN 29 H GLN 29 -10.689 -5.685 -0.995 251 HA GLN 29 HA GLN 29 -12.522 -7.591 0.155 252 HB2 GLN 29 HB2 GLN 29 -13.454 -6.005 -1.370 253 HB3 GLN 29 HB3 GLN 29 -12.261 -6.394 -2.601 254 HG2 GLN 29 HG2 GLN 29 -14.384 -7.358 -3.186 255 HG3 GLN 29 HG3 GLN 29 -13.231 -8.638 -2.812 256 HE21 GLN 29 HE21 GLN 29 -14.484 -10.230 -2.081 257 HE22 GLN 29 HE22 GLN 29 -15.586 -10.102 -0.757 258 H GLY 30 H GLY 30 -9.692 -7.650 -1.869 259 HA2 GLY 30 HA2 GLY 30 -8.399 -9.712 -1.896 260 HA3 GLY 30 HA3 GLY 30 -9.919 -10.592 -1.979 261 H TRP 31 H TRP 31 -9.419 -7.715 -3.870 262 HA TRP 31 HA TRP 31 -9.810 -9.233 -6.298 263 HB2 TRP 31 HB2 TRP 31 -9.658 -6.308 -5.636 264 HB3 TRP 31 HB3 TRP 31 -9.568 -6.847 -7.310 265 HD1 TRP 31 HD1 TRP 31 -11.868 -8.765 -4.981 266 HE1 TRP 31 HE1 TRP 31 -14.312 -8.277 -5.622 267 HE3 TRP 31 HE3 TRP 31 -11.089 -4.978 -8.325 268 HZ2 TRP 31 HZ2 TRP 31 -15.724 -6.519 -7.321 269 HZ3 TRP 31 HZ3 TRP 31 -13.040 -3.947 -9.415 270 HH2 TRP 31 HH2 TRP 31 -15.308 -4.703 -8.922 271 H THR 32 H THR 32 -8.311 -9.764 -7.774 272 HA THR 32 HA THR 32 -5.536 -9.434 -7.105 273 HB THR 32 HB THR 32 -5.044 -10.865 -8.939 274 HG1 THR 32 HG1 THR 32 -7.597 -10.070 -9.861 275 HG21 THR 32 HG21 THR 32 -6.116 -11.985 -7.043 276 HG22 THR 32 HG22 THR 32 -6.532 -12.776 -8.564 277 HG23 THR 32 HG23 THR 32 -7.698 -11.715 -7.773 278 H ILE 33 H ILE 33 -4.043 -8.938 -9.118 279 HA ILE 33 HA ILE 33 -4.273 -6.195 -9.646 280 HB ILE 33 HB ILE 33 -2.634 -8.251 -11.134 281 HG12 ILE 33 HG12 ILE 33 -0.895 -6.873 -9.565 282 HG13 ILE 33 HG13 ILE 33 -2.327 -6.865 -8.542 283 HG21 ILE 33 HG21 ILE 33 -2.233 -6.566 -12.542 284 HG22 ILE 33 HG22 ILE 33 -2.973 -5.380 -11.468 285 HG23 ILE 33 HG23 ILE 33 -1.291 -5.854 -11.232 286 HD11 ILE 33 HD11 ILE 33 -1.639 -9.462 -9.728 287 HD12 ILE 33 HD12 ILE 33 -0.488 -8.824 -8.553 288 HD13 ILE 33 HD13 ILE 33 -2.176 -9.057 -8.098 289 H ASP 34 H ASP 34 -5.387 -8.996 -11.407 290 HA ASP 34 HA ASP 34 -5.933 -7.604 -13.848 291 HB2 ASP 34 HB2 ASP 34 -5.602 -10.174 -13.390 292 HB3 ASP 34 HB3 ASP 34 -7.338 -10.138 -13.095 293 H GLN 35 H GLN 35 -7.755 -8.415 -10.956 294 HA GLN 35 HA GLN 35 -10.339 -7.907 -11.810 295 HB2 GLN 35 HB2 GLN 35 -8.928 -7.844 -9.212 296 HB3 GLN 35 HB3 GLN 35 -10.443 -6.954 -9.281 297 HG2 GLN 35 HG2 GLN 35 -10.619 -9.320 -8.491 298 HG3 GLN 35 HG3 GLN 35 -11.668 -8.893 -9.842 299 HE21 GLN 35 HE21 GLN 35 -9.394 -11.060 -8.685 300 HE22 GLN 35 HE22 GLN 35 -9.064 -11.902 -10.157 301 H ILE 36 H ILE 36 -7.967 -5.613 -10.491 302 HA ILE 36 HA ILE 36 -9.709 -3.360 -10.897 303 HB ILE 36 HB ILE 36 -6.766 -3.438 -10.222 304 HG12 ILE 36 HG12 ILE 36 -7.878 -2.634 -7.958 305 HG13 ILE 36 HG13 ILE 36 -9.274 -3.493 -8.598 306 HG21 ILE 36 HG21 ILE 36 -7.016 -1.298 -11.006 307 HG22 ILE 36 HG22 ILE 36 -8.718 -1.215 -10.556 308 HG23 ILE 36 HG23 ILE 36 -7.471 -1.075 -9.317 309 HD11 ILE 36 HD11 ILE 36 -8.224 -5.542 -8.487 310 HD12 ILE 36 HD12 ILE 36 -6.610 -4.832 -8.491 311 HD13 ILE 36 HD13 ILE 36 -7.618 -4.723 -7.048 312 H GLU 37 H GLU 37 -6.659 -4.470 -12.367 313 HA GLU 37 HA GLU 37 -6.331 -2.498 -14.266 314 HB2 GLU 37 HB2 GLU 37 -5.614 -5.409 -14.215 315 HB3 GLU 37 HB3 GLU 37 -5.306 -4.455 -15.659 316 HG2 GLU 37 HG2 GLU 37 -4.080 -2.837 -14.110 317 HG3 GLU 37 HG3 GLU 37 -4.128 -4.141 -12.924 318 H LYS 38 H LYS 38 -8.565 -5.176 -14.243 319 HA LYS 38 HA LYS 38 -9.363 -4.711 -17.003 320 HB2 LYS 38 HB2 LYS 38 -10.293 -6.696 -14.925 321 HB3 LYS 38 HB3 LYS 38 -10.976 -6.587 -16.542 322 HG2 LYS 38 HG2 LYS 38 -8.036 -6.971 -16.164 323 HG3 LYS 38 HG3 LYS 38 -9.145 -8.339 -16.056 324 HD2 LYS 38 HD2 LYS 38 -10.042 -7.621 -18.311 325 HD3 LYS 38 HD3 LYS 38 -8.669 -6.516 -18.405 326 HE2 LYS 38 HE2 LYS 38 -7.115 -8.299 -18.382 327 HE3 LYS 38 HE3 LYS 38 -8.347 -9.463 -17.898 328 HZ1 LYS 38 HZ1 LYS 38 -8.749 -9.878 -20.019 329 HZ2 LYS 38 HZ2 LYS 38 -7.547 -8.782 -20.483 330 HZ3 LYS 38 HZ3 LYS 38 -9.145 -8.257 -20.300 331 H TRP 39 H TRP 39 -10.689 -4.398 -13.738 332 HA TRP 39 HA TRP 39 -13.273 -3.582 -14.437 333 HB2 TRP 39 HB2 TRP 39 -12.756 -4.229 -12.166 334 HB3 TRP 39 HB3 TRP 39 -11.601 -2.908 -12.009 335 HD1 TRP 39 HD1 TRP 39 -15.298 -3.687 -11.771 336 HE1 TRP 39 HE1 TRP 39 -16.548 -1.607 -10.914 337 HE3 TRP 39 HE3 TRP 39 -11.500 -0.277 -12.067 338 HZ2 TRP 39 HZ2 TRP 39 -15.998 1.119 -10.428 339 HZ3 TRP 39 HZ3 TRP 39 -11.945 2.046 -11.388 340 HH2 TRP 39 HH2 TRP 39 -14.149 2.727 -10.586 341 H LEU 40 H LEU 40 -10.262 -1.804 -14.231 342 HA LEU 40 HA LEU 40 -11.540 0.768 -14.534 343 HB2 LEU 40 HB2 LEU 40 -9.534 0.696 -13.247 344 HB3 LEU 40 HB3 LEU 40 -8.663 -0.114 -14.547 345 HG LEU 40 HG LEU 40 -8.668 1.899 -15.871 346 HD11 LEU 40 HD11 LEU 40 -10.875 2.734 -15.202 347 HD12 LEU 40 HD12 LEU 40 -9.631 3.977 -15.074 348 HD13 LEU 40 HD13 LEU 40 -10.223 3.169 -13.622 349 HD21 LEU 40 HD21 LEU 40 -7.364 1.602 -13.392 350 HD22 LEU 40 HD22 LEU 40 -7.835 3.297 -13.521 351 HD23 LEU 40 HD23 LEU 40 -6.850 2.556 -14.784 352 H LYS 41 H LYS 41 -9.454 -1.307 -16.534 353 HA LYS 41 HA LYS 41 -9.329 0.261 -18.810 354 HB2 LYS 41 HB2 LYS 41 -9.134 -2.660 -18.272 355 HB3 LYS 41 HB3 LYS 41 -9.322 -2.155 -19.946 356 HG2 LYS 41 HG2 LYS 41 -7.359 -0.541 -19.402 357 HG3 LYS 41 HG3 LYS 41 -7.069 -1.648 -18.058 358 HD2 LYS 41 HD2 LYS 41 -5.722 -2.413 -19.848 359 HD3 LYS 41 HD3 LYS 41 -7.095 -3.519 -19.758 360 HE2 LYS 41 HE2 LYS 41 -8.180 -2.355 -21.592 361 HE3 LYS 41 HE3 LYS 41 -6.868 -1.179 -21.650 362 HZ1 LYS 41 HZ1 LYS 41 -5.348 -2.945 -22.262 363 HZ2 LYS 41 HZ2 LYS 41 -6.633 -2.877 -23.359 364 HZ3 LYS 41 HZ3 LYS 41 -6.592 -4.089 -22.180 365 H ARG 42 H ARG 42 -11.818 -2.069 -17.851 366 HA ARG 42 HA ARG 42 -13.353 -1.753 -20.239 367 HB2 ARG 42 HB2 ARG 42 -13.737 -3.113 -17.611 368 HB3 ARG 42 HB3 ARG 42 -15.158 -2.800 -18.600 369 HG2 ARG 42 HG2 ARG 42 -12.764 -4.146 -19.779 370 HG3 ARG 42 HG3 ARG 42 -13.931 -5.060 -18.821 371 HD2 ARG 42 HD2 ARG 42 -15.697 -4.540 -20.318 372 HD3 ARG 42 HD3 ARG 42 -14.723 -3.329 -21.150 373 HE ARG 42 HE ARG 42 -13.325 -5.620 -21.515 374 HH11 ARG 42 HH11 ARG 42 -16.638 -4.708 -22.074 375 HH12 ARG 42 HH12 ARG 42 -16.846 -5.788 -23.413 376 HH21 ARG 42 HH21 ARG 42 -13.586 -7.045 -23.277 377 HH22 ARG 42 HH22 ARG 42 -15.110 -7.118 -24.096 378 H HIS 43 H HIS 43 -13.218 -0.148 -17.155 379 HA HIS 43 HA HIS 43 -14.308 1.654 -16.293 380 HB2 HIS 43 HB2 HIS 43 -13.473 2.550 -18.541 381 HB3 HIS 43 HB3 HIS 43 -15.123 2.329 -19.116 382 HD1 HIS 43 HD1 HIS 43 -16.757 4.153 -18.599 383 HD2 HIS 43 HD2 HIS 43 -13.261 4.477 -16.378 384 HE1 HIS 43 HE1 HIS 43 -16.917 6.364 -17.413 Start of MODEL 13 1 HCN FME 1 HF FME 1 -1.300 0.545 2.431 2 HA FME 1 HA FME 1 0.253 -0.008 -0.810 3 HB2 FME 1 HB2 FME 1 2.644 0.204 -1.408 4 HB3 FME 1 HB3 FME 1 3.025 0.533 0.318 5 HG2 FME 1 HG2 FME 1 1.496 2.580 0.228 6 HG3 FME 1 HG3 FME 1 1.278 2.303 -1.537 7 HE1 FME 1 HE8 FME 1 4.230 3.360 1.287 8 HE2 FME 1 HE2 FME 1 2.638 4.143 0.926 9 HE3 FME 1 HE3 FME 1 4.183 4.908 0.349 10 H GLY 2 H GLY 2 -0.138 -1.838 -1.492 11 HA2 GLY 2 HA2 GLY 2 1.570 -4.086 -0.746 12 HA3 GLY 2 HA3 GLY 2 -0.142 -4.242 -0.381 13 H ALA 3 H ALA 3 -1.402 -3.235 -2.521 14 HA ALA 3 HA ALA 3 -0.300 -4.657 -4.848 15 HB1 ALA 3 HB1 ALA 3 -3.185 -4.801 -3.986 16 HB2 ALA 3 HB2 ALA 3 -2.443 -5.625 -5.359 17 HB3 ALA 3 HB3 ALA 3 -1.989 -6.068 -3.713 18 H ILE 4 H ILE 4 -0.091 -1.919 -4.453 19 HA ILE 4 HA ILE 4 -2.081 -0.834 -6.336 20 HB ILE 4 HB ILE 4 -0.432 0.716 -4.338 21 HG12 ILE 4 HG12 ILE 4 -2.119 -0.734 -3.253 22 HG13 ILE 4 HG13 ILE 4 -2.492 0.976 -3.064 23 HG21 ILE 4 HG21 ILE 4 -2.073 1.472 -6.605 24 HG22 ILE 4 HG22 ILE 4 -2.617 2.226 -5.108 25 HG23 ILE 4 HG23 ILE 4 -0.953 2.441 -5.649 26 HD11 ILE 4 HD11 ILE 4 -3.769 -0.919 -5.021 27 HD12 ILE 4 HD12 ILE 4 -4.494 -0.281 -3.545 28 HD13 ILE 4 HD13 ILE 4 -4.123 0.803 -4.885 29 H ALA 5 H ALA 5 1.274 -1.352 -5.681 30 HA ALA 5 HA ALA 5 2.370 0.510 -7.508 31 HB1 ALA 5 HB1 ALA 5 3.750 -2.064 -6.905 32 HB2 ALA 5 HB2 ALA 5 4.412 -0.435 -7.041 33 HB3 ALA 5 HB3 ALA 5 3.492 -0.896 -5.609 34 H LYS 6 H LYS 6 1.026 -2.684 -7.869 35 HA LYS 6 HA LYS 6 2.098 -3.133 -10.496 36 HB2 LYS 6 HB2 LYS 6 -0.261 -4.540 -9.250 37 HB3 LYS 6 HB3 LYS 6 0.811 -5.140 -10.509 38 HG2 LYS 6 HG2 LYS 6 1.663 -4.572 -7.678 39 HG3 LYS 6 HG3 LYS 6 1.201 -6.162 -8.290 40 HD2 LYS 6 HD2 LYS 6 3.008 -5.819 -10.058 41 HD3 LYS 6 HD3 LYS 6 3.567 -4.474 -9.062 42 HE2 LYS 6 HE2 LYS 6 3.729 -6.072 -7.145 43 HE3 LYS 6 HE3 LYS 6 3.367 -7.377 -8.274 44 HZ1 LYS 6 HZ1 LYS 6 5.813 -6.788 -7.727 45 HZ2 LYS 6 HZ2 LYS 6 5.591 -5.539 -8.846 46 HZ3 LYS 6 HZ3 LYS 6 5.382 -7.149 -9.322 47 H LEU 7 H LEU 7 -0.715 -1.613 -9.161 48 HA LEU 7 HA LEU 7 -2.130 -1.590 -11.698 49 HB2 LEU 7 HB2 LEU 7 -2.940 -0.008 -9.293 50 HB3 LEU 7 HB3 LEU 7 -3.950 -0.717 -10.551 51 HG LEU 7 HG LEU 7 -2.469 -2.346 -8.493 52 HD11 LEU 7 HD11 LEU 7 -5.061 -2.554 -7.790 53 HD12 LEU 7 HD12 LEU 7 -5.014 -0.876 -8.328 54 HD13 LEU 7 HD13 LEU 7 -3.929 -1.423 -7.050 55 HD21 LEU 7 HD21 LEU 7 -4.561 -3.830 -9.271 56 HD22 LEU 7 HD22 LEU 7 -2.984 -3.894 -10.058 57 HD23 LEU 7 HD23 LEU 7 -4.279 -2.919 -10.755 58 H VAL 8 H VAL 8 -0.664 0.773 -9.481 59 HA VAL 8 HA VAL 8 -1.133 3.031 -11.115 60 HB VAL 8 HB VAL 8 0.988 2.614 -9.003 61 HG11 VAL 8 HG11 VAL 8 1.814 4.557 -9.714 62 HG12 VAL 8 HG12 VAL 8 0.452 4.818 -10.806 63 HG13 VAL 8 HG13 VAL 8 0.333 5.305 -9.114 64 HG21 VAL 8 HG21 VAL 8 -0.506 3.364 -7.422 65 HG22 VAL 8 HG22 VAL 8 -1.508 4.202 -8.606 66 HG23 VAL 8 HG23 VAL 8 -1.573 2.444 -8.482 67 H ALA 9 H ALA 9 1.343 0.591 -11.096 68 HA ALA 9 HA ALA 9 3.421 1.861 -12.416 69 HB1 ALA 9 HB1 ALA 9 2.522 -0.931 -12.114 70 HB2 ALA 9 HB2 ALA 9 3.611 -0.609 -13.463 71 HB3 ALA 9 HB3 ALA 9 4.102 -0.206 -11.818 72 H LYS 10 H LYS 10 0.345 0.808 -13.630 73 HA LYS 10 HA LYS 10 1.188 1.468 -16.373 74 HB2 LYS 10 HB2 LYS 10 -1.266 -0.085 -15.547 75 HB3 LYS 10 HB3 LYS 10 -0.626 0.104 -17.174 76 HG2 LYS 10 HG2 LYS 10 0.862 -1.275 -14.953 77 HG3 LYS 10 HG3 LYS 10 -0.184 -2.111 -16.104 78 HD2 LYS 10 HD2 LYS 10 1.207 -1.510 -17.934 79 HD3 LYS 10 HD3 LYS 10 2.124 -0.369 -16.947 80 HE2 LYS 10 HE2 LYS 10 3.200 -2.088 -15.767 81 HE3 LYS 10 HE3 LYS 10 2.036 -3.299 -16.300 82 HZ1 LYS 10 HZ1 LYS 10 3.351 -2.073 -18.507 83 HZ2 LYS 10 HZ2 LYS 10 3.238 -3.711 -18.102 84 HZ3 LYS 10 HZ3 LYS 10 4.470 -2.760 -17.440 85 H PHE 11 H PHE 11 -1.238 2.051 -13.893 86 HA PHE 11 HA PHE 11 -2.786 3.843 -15.514 87 HB2 PHE 11 HB2 PHE 11 -2.800 3.357 -12.528 88 HB3 PHE 11 HB3 PHE 11 -3.979 4.338 -13.393 89 HD1 PHE 11 HD2 PHE 11 -4.419 2.681 -15.799 90 HD2 PHE 11 HD1 PHE 11 -4.051 1.584 -11.703 91 HE1 PHE 11 HE2 PHE 11 -5.782 0.676 -16.217 92 HE2 PHE 11 HE1 PHE 11 -5.412 -0.424 -12.115 93 HZ PHE 11 HZ PHE 11 -6.281 -0.879 -14.374 94 H GLY 12 H GLY 12 -1.083 4.467 -12.440 95 HA2 GLY 12 HA2 GLY 12 0.727 6.169 -12.495 96 HA3 GLY 12 HA3 GLY 12 -0.333 7.108 -13.536 97 H TRP 13 H TRP 13 0.581 8.423 -11.443 98 HA TRP 13 HA TRP 13 -0.915 8.146 -9.053 99 HB2 TRP 13 HB2 TRP 13 0.214 10.790 -9.877 100 HB3 TRP 13 HB3 TRP 13 0.217 10.015 -8.295 101 HD1 TRP 13 HD1 TRP 13 2.544 10.905 -10.900 102 HE1 TRP 13 HE1 TRP 13 4.684 9.478 -10.807 103 HE3 TRP 13 HE3 TRP 13 0.894 7.168 -7.827 104 HZ2 TRP 13 HZ2 TRP 13 5.557 7.085 -9.592 105 HZ3 TRP 13 HZ3 TRP 13 2.444 5.346 -7.249 106 HH2 TRP 13 HH2 TRP 13 4.727 5.307 -8.114 107 HA PRO 14 HA PRO 14 -3.554 11.789 -10.860 108 HB2 PRO 14 HB2 PRO 14 -3.356 12.216 -13.534 109 HB3 PRO 14 HB3 PRO 14 -2.323 13.029 -12.352 110 HG2 PRO 14 HG2 PRO 14 -1.734 10.638 -14.054 111 HG3 PRO 14 HG3 PRO 14 -0.702 12.034 -13.690 112 HD2 PRO 14 HD2 PRO 14 -0.430 9.652 -12.431 113 HD3 PRO 14 HD3 PRO 14 -0.086 11.199 -11.631 114 H PHE 15 H PHE 15 -3.087 8.692 -12.146 115 HA PHE 15 HA PHE 15 -5.785 8.622 -13.308 116 HB2 PHE 15 HB2 PHE 15 -3.580 7.768 -14.496 117 HB3 PHE 15 HB3 PHE 15 -3.892 6.323 -13.540 118 HD1 PHE 15 HD1 PHE 15 -6.042 5.099 -13.839 119 HD2 PHE 15 HD2 PHE 15 -4.837 8.257 -16.426 120 HE1 PHE 15 HE1 PHE 15 -7.662 4.332 -15.525 121 HE2 PHE 15 HE2 PHE 15 -6.456 7.496 -18.115 122 HZ PHE 15 HZ PHE 15 -7.871 5.532 -17.665 123 H ILE 16 H ILE 16 -3.787 7.360 -10.760 124 HA ILE 16 HA ILE 16 -5.722 5.342 -9.987 125 HB ILE 16 HB ILE 16 -3.237 5.017 -9.743 126 HG12 ILE 16 HG12 ILE 16 -3.543 4.223 -7.236 127 HG13 ILE 16 HG13 ILE 16 -5.226 4.638 -7.545 128 HG21 ILE 16 HG21 ILE 16 -2.718 7.271 -8.922 129 HG22 ILE 16 HG22 ILE 16 -3.578 6.914 -7.425 130 HG23 ILE 16 HG23 ILE 16 -2.116 6.018 -7.836 131 HD11 ILE 16 HD11 ILE 16 -4.985 3.154 -9.627 132 HD12 ILE 16 HD12 ILE 16 -3.540 2.533 -8.830 133 HD13 ILE 16 HD13 ILE 16 -5.113 2.382 -8.047 134 H LYS 17 H LYS 17 -4.811 8.583 -9.098 135 HA LYS 17 HA LYS 17 -6.170 8.606 -6.581 136 HB2 LYS 17 HB2 LYS 17 -5.653 10.921 -6.493 137 HB3 LYS 17 HB3 LYS 17 -4.276 10.141 -7.260 138 HG2 LYS 17 HG2 LYS 17 -5.285 10.788 -9.473 139 HG3 LYS 17 HG3 LYS 17 -6.435 11.773 -8.567 140 HD2 LYS 17 HD2 LYS 17 -4.298 12.765 -7.458 141 HD3 LYS 17 HD3 LYS 17 -3.479 12.112 -8.878 142 HE2 LYS 17 HE2 LYS 17 -3.996 14.268 -9.545 143 HE3 LYS 17 HE3 LYS 17 -5.336 13.334 -10.206 144 HZ1 LYS 17 HZ1 LYS 17 -6.778 14.446 -8.960 145 HZ2 LYS 17 HZ2 LYS 17 -5.531 15.522 -8.578 146 HZ3 LYS 17 HZ3 LYS 17 -5.870 14.223 -7.549 147 H LYS 18 H LYS 18 -7.145 8.900 -9.844 148 HA LYS 18 HA LYS 18 -9.506 10.461 -9.373 149 HB2 LYS 18 HB2 LYS 18 -8.272 10.295 -11.573 150 HB3 LYS 18 HB3 LYS 18 -8.932 8.673 -11.738 151 HG2 LYS 18 HG2 LYS 18 -11.151 9.493 -11.872 152 HG3 LYS 18 HG3 LYS 18 -10.651 11.113 -11.380 153 HD2 LYS 18 HD2 LYS 18 -9.115 10.875 -13.534 154 HD3 LYS 18 HD3 LYS 18 -10.393 9.754 -14.009 155 HE2 LYS 18 HE2 LYS 18 -10.739 12.643 -13.215 156 HE3 LYS 18 HE3 LYS 18 -10.869 11.982 -14.844 157 HZ1 LYS 18 HZ1 LYS 18 -12.854 12.161 -12.860 158 HZ2 LYS 18 HZ2 LYS 18 -12.595 10.528 -13.218 159 HZ3 LYS 18 HZ3 LYS 18 -13.001 11.611 -14.453 160 H PHE 19 H PHE 19 -8.672 7.091 -9.292 161 HA PHE 19 HA PHE 19 -11.444 6.470 -8.536 162 HB2 PHE 19 HB2 PHE 19 -9.682 4.696 -10.238 163 HB3 PHE 19 HB3 PHE 19 -11.333 4.352 -9.732 164 HD1 PHE 19 HD2 PHE 19 -13.211 5.611 -10.691 165 HD2 PHE 19 HD1 PHE 19 -9.219 6.145 -12.069 166 HE1 PHE 19 HE2 PHE 19 -14.063 6.707 -12.722 167 HE2 PHE 19 HE1 PHE 19 -10.065 7.243 -14.102 168 HZ PHE 19 HZ PHE 19 -12.489 7.524 -14.431 169 H TYR 20 H TYR 20 -9.057 7.030 -6.943 170 HA TYR 20 HA TYR 20 -7.943 4.639 -5.930 171 HB2 TYR 20 HB2 TYR 20 -7.104 7.067 -5.670 172 HB3 TYR 20 HB3 TYR 20 -8.227 7.164 -4.318 173 HD1 TYR 20 HD1 TYR 20 -5.678 4.718 -5.563 174 HD2 TYR 20 HD2 TYR 20 -7.262 6.872 -2.253 175 HE1 TYR 20 HE1 TYR 20 -3.991 3.693 -4.096 176 HE2 TYR 20 HE2 TYR 20 -5.578 5.855 -0.778 177 HH TYR 20 HH TYR 20 -2.861 4.347 -1.852 178 H LYS 21 H LYS 21 -10.912 6.307 -5.312 179 HA LYS 21 HA LYS 21 -11.497 5.234 -2.764 180 HB2 LYS 21 HB2 LYS 21 -12.635 7.193 -3.927 181 HB3 LYS 21 HB3 LYS 21 -13.534 5.998 -4.853 182 HG2 LYS 21 HG2 LYS 21 -14.741 5.288 -3.022 183 HG3 LYS 21 HG3 LYS 21 -13.533 5.865 -1.871 184 HD2 LYS 21 HD2 LYS 21 -14.284 8.034 -1.964 185 HD3 LYS 21 HD3 LYS 21 -14.931 7.852 -3.597 186 HE2 LYS 21 HE2 LYS 21 -16.869 7.921 -2.370 187 HE3 LYS 21 HE3 LYS 21 -16.577 6.183 -2.427 188 HZ1 LYS 21 HZ1 LYS 21 -15.842 7.987 -0.184 189 HZ2 LYS 21 HZ2 LYS 21 -15.563 6.319 -0.238 190 HZ3 LYS 21 HZ3 LYS 21 -17.147 6.911 -0.197 191 H GLN 22 H GLN 22 -11.900 4.021 -6.019 192 HA GLN 22 HA GLN 22 -13.481 1.754 -5.122 193 HB2 GLN 22 HB2 GLN 22 -12.437 2.541 -7.845 194 HB3 GLN 22 HB3 GLN 22 -13.395 1.098 -7.540 195 HG2 GLN 22 HG2 GLN 22 -15.317 2.295 -7.128 196 HG3 GLN 22 HG3 GLN 22 -14.437 3.764 -6.706 197 HE21 GLN 22 HE21 GLN 22 -16.630 3.456 -8.555 198 HE22 GLN 22 HE22 GLN 22 -16.054 3.977 -10.099 199 H ILE 23 H ILE 23 -10.370 2.232 -6.798 200 HA ILE 23 HA ILE 23 -9.482 -0.378 -6.814 201 HB ILE 23 HB ILE 23 -7.808 2.104 -6.412 202 HG12 ILE 23 HG12 ILE 23 -8.010 0.707 -9.027 203 HG13 ILE 23 HG13 ILE 23 -9.412 1.637 -8.512 204 HG21 ILE 23 HG21 ILE 23 -6.492 0.210 -5.818 205 HG22 ILE 23 HG22 ILE 23 -7.060 -0.698 -7.218 206 HG23 ILE 23 HG23 ILE 23 -6.007 0.699 -7.441 207 HD11 ILE 23 HD11 ILE 23 -6.886 2.535 -9.578 208 HD12 ILE 23 HD12 ILE 23 -8.411 3.403 -9.394 209 HD13 ILE 23 HD13 ILE 23 -7.272 3.327 -8.050 210 H MET 24 H MET 24 -8.598 2.073 -4.370 211 HA MET 24 HA MET 24 -7.289 0.360 -2.618 212 HB2 MET 24 HB2 MET 24 -7.225 2.826 -2.472 213 HB3 MET 24 HB3 MET 24 -8.892 2.825 -1.913 214 HG2 MET 24 HG2 MET 24 -8.160 1.457 0.036 215 HG3 MET 24 HG3 MET 24 -6.497 1.684 -0.499 216 HE1 MET 24 HE1 MET 24 -7.013 3.135 2.668 217 HE2 MET 24 HE2 MET 24 -5.880 2.326 1.584 218 HE3 MET 24 HE3 MET 24 -5.670 4.036 1.964 219 H GLN 25 H GLN 25 -10.675 0.808 -3.182 220 HA GLN 25 HA GLN 25 -11.543 -0.386 -0.718 221 HB2 GLN 25 HB2 GLN 25 -12.800 0.766 -3.107 222 HB3 GLN 25 HB3 GLN 25 -13.684 -0.588 -2.416 223 HG2 GLN 25 HG2 GLN 25 -12.790 1.810 -0.838 224 HG3 GLN 25 HG3 GLN 25 -14.378 1.656 -1.587 225 HE21 GLN 25 HE21 GLN 25 -15.792 0.016 -0.831 226 HE22 GLN 25 HE22 GLN 25 -15.631 -0.622 0.766 227 H PHE 26 H PHE 26 -10.895 -1.479 -3.983 228 HA PHE 26 HA PHE 26 -12.089 -4.048 -3.690 229 HB2 PHE 26 HB2 PHE 26 -9.989 -3.071 -5.637 230 HB3 PHE 26 HB3 PHE 26 -10.843 -4.606 -5.760 231 HD1 PHE 26 HD1 PHE 26 -13.585 -3.835 -5.084 232 HD2 PHE 26 HD2 PHE 26 -10.678 -1.838 -7.468 233 HE1 PHE 26 HE1 PHE 26 -15.384 -2.733 -6.349 234 HE2 PHE 26 HE2 PHE 26 -12.473 -0.732 -8.736 235 HZ PHE 26 HZ PHE 26 -14.830 -1.178 -8.176 236 H ILE 27 H ILE 27 -8.863 -2.750 -3.173 237 HA ILE 27 HA ILE 27 -7.422 -5.114 -2.917 238 HB ILE 27 HB ILE 27 -7.026 -2.548 -1.374 239 HG12 ILE 27 HG12 ILE 27 -6.996 -2.183 -3.787 240 HG13 ILE 27 HG13 ILE 27 -5.369 -2.032 -3.132 241 HG21 ILE 27 HG21 ILE 27 -5.707 -5.070 -1.197 242 HG22 ILE 27 HG22 ILE 27 -4.589 -3.884 -1.868 243 HG23 ILE 27 HG23 ILE 27 -5.371 -3.580 -0.317 244 HD11 ILE 27 HD11 ILE 27 -4.806 -3.360 -4.834 245 HD12 ILE 27 HD12 ILE 27 -5.431 -4.657 -3.815 246 HD13 ILE 27 HD13 ILE 27 -6.456 -3.940 -5.059 247 H GLY 28 H GLY 28 -9.287 -3.332 -0.481 248 HA2 GLY 28 HA2 GLY 28 -8.626 -5.108 1.658 249 HA3 GLY 28 HA3 GLY 28 -9.900 -3.897 1.668 250 H GLN 29 H GLN 29 -10.911 -5.237 -0.904 251 HA GLN 29 HA GLN 29 -12.744 -7.006 0.444 252 HB2 GLN 29 HB2 GLN 29 -13.673 -5.581 -1.234 253 HB3 GLN 29 HB3 GLN 29 -12.489 -6.106 -2.423 254 HG2 GLN 29 HG2 GLN 29 -14.619 -7.111 -2.897 255 HG3 GLN 29 HG3 GLN 29 -13.477 -8.354 -2.388 256 HE21 GLN 29 HE21 GLN 29 -15.674 -9.417 -2.144 257 HE22 GLN 29 HE22 GLN 29 -16.412 -9.302 -0.586 258 H GLY 30 H GLY 30 -9.895 -7.301 -1.513 259 HA2 GLY 30 HA2 GLY 30 -8.647 -9.386 -1.307 260 HA3 GLY 30 HA3 GLY 30 -10.183 -10.237 -1.380 261 H TRP 31 H TRP 31 -9.723 -7.551 -3.492 262 HA TRP 31 HA TRP 31 -10.028 -9.229 -5.794 263 HB2 TRP 31 HB2 TRP 31 -9.787 -6.283 -5.321 264 HB3 TRP 31 HB3 TRP 31 -9.560 -6.910 -6.951 265 HD1 TRP 31 HD1 TRP 31 -12.143 -8.557 -4.686 266 HE1 TRP 31 HE1 TRP 31 -14.494 -8.060 -5.608 267 HE3 TRP 31 HE3 TRP 31 -10.898 -5.160 -8.298 268 HZ2 TRP 31 HZ2 TRP 31 -15.666 -6.443 -7.603 269 HZ3 TRP 31 HZ3 TRP 31 -12.693 -4.186 -9.670 270 HH2 TRP 31 HH2 TRP 31 -15.027 -4.816 -9.328 271 H THR 32 H THR 32 -8.530 -9.907 -7.225 272 HA THR 32 HA THR 32 -5.780 -9.840 -6.474 273 HB THR 32 HB THR 32 -5.371 -11.093 -8.551 274 HG1 THR 32 HG1 THR 32 -7.379 -11.639 -9.761 275 HG21 THR 32 HG21 THR 32 -6.476 -12.072 -6.386 276 HG22 THR 32 HG22 THR 32 -6.359 -13.057 -7.844 277 HG23 THR 32 HG23 THR 32 -7.881 -12.267 -7.433 278 H ILE 33 H ILE 33 -4.083 -9.313 -8.207 279 HA ILE 33 HA ILE 33 -4.176 -6.544 -8.728 280 HB ILE 33 HB ILE 33 -2.321 -8.595 -9.943 281 HG12 ILE 33 HG12 ILE 33 -0.891 -7.307 -8.011 282 HG13 ILE 33 HG13 ILE 33 -2.488 -7.356 -7.272 283 HG21 ILE 33 HG21 ILE 33 -2.312 -6.476 -11.144 284 HG22 ILE 33 HG22 ILE 33 -2.029 -5.610 -9.635 285 HG23 ILE 33 HG23 ILE 33 -0.800 -6.705 -10.267 286 HD11 ILE 33 HD11 ILE 33 -0.749 -9.290 -6.923 287 HD12 ILE 33 HD12 ILE 33 -2.474 -9.625 -7.075 288 HD13 ILE 33 HD13 ILE 33 -1.407 -9.852 -8.460 289 H ASP 34 H ASP 34 -5.143 -9.305 -10.581 290 HA ASP 34 HA ASP 34 -5.191 -7.925 -13.110 291 HB2 ASP 34 HB2 ASP 34 -6.124 -10.627 -12.172 292 HB3 ASP 34 HB3 ASP 34 -6.542 -10.026 -13.775 293 H GLN 35 H GLN 35 -7.385 -8.500 -10.477 294 HA GLN 35 HA GLN 35 -9.834 -8.078 -11.752 295 HB2 GLN 35 HB2 GLN 35 -8.899 -7.582 -8.935 296 HB3 GLN 35 HB3 GLN 35 -10.549 -7.230 -9.433 297 HG2 GLN 35 HG2 GLN 35 -9.324 -9.930 -9.861 298 HG3 GLN 35 HG3 GLN 35 -10.078 -9.483 -8.331 299 HE21 GLN 35 HE21 GLN 35 -10.735 -11.390 -10.616 300 HE22 GLN 35 HE22 GLN 35 -12.399 -11.068 -10.951 301 H ILE 36 H ILE 36 -7.715 -5.733 -10.113 302 HA ILE 36 HA ILE 36 -9.322 -3.483 -10.780 303 HB ILE 36 HB ILE 36 -6.414 -3.586 -9.969 304 HG12 ILE 36 HG12 ILE 36 -7.700 -2.643 -7.807 305 HG13 ILE 36 HG13 ILE 36 -8.982 -3.647 -8.476 306 HG21 ILE 36 HG21 ILE 36 -6.535 -1.462 -10.767 307 HG22 ILE 36 HG22 ILE 36 -8.280 -1.359 -10.543 308 HG23 ILE 36 HG23 ILE 36 -7.202 -1.177 -9.160 309 HD11 ILE 36 HD11 ILE 36 -7.803 -5.596 -8.151 310 HD12 ILE 36 HD12 ILE 36 -6.243 -4.772 -8.123 311 HD13 ILE 36 HD13 ILE 36 -7.336 -4.639 -6.745 312 H GLU 37 H GLU 37 -6.217 -4.678 -12.060 313 HA GLU 37 HA GLU 37 -5.787 -2.781 -14.016 314 HB2 GLU 37 HB2 GLU 37 -5.096 -5.699 -13.849 315 HB3 GLU 37 HB3 GLU 37 -4.674 -4.760 -15.274 316 HG2 GLU 37 HG2 GLU 37 -3.639 -3.129 -13.498 317 HG3 GLU 37 HG3 GLU 37 -3.613 -4.585 -12.504 318 H LYS 38 H LYS 38 -8.038 -5.440 -13.989 319 HA LYS 38 HA LYS 38 -8.698 -5.076 -16.804 320 HB2 LYS 38 HB2 LYS 38 -8.551 -7.345 -15.613 321 HB3 LYS 38 HB3 LYS 38 -10.090 -6.922 -14.874 322 HG2 LYS 38 HG2 LYS 38 -10.779 -8.145 -16.684 323 HG3 LYS 38 HG3 LYS 38 -10.836 -6.506 -17.338 324 HD2 LYS 38 HD2 LYS 38 -8.711 -6.810 -18.426 325 HD3 LYS 38 HD3 LYS 38 -8.494 -8.382 -17.652 326 HE2 LYS 38 HE2 LYS 38 -9.203 -8.757 -19.904 327 HE3 LYS 38 HE3 LYS 38 -10.544 -9.166 -18.836 328 HZ1 LYS 38 HZ1 LYS 38 -11.814 -7.644 -19.800 329 HZ2 LYS 38 HZ2 LYS 38 -10.614 -7.447 -20.975 330 HZ3 LYS 38 HZ3 LYS 38 -10.645 -6.434 -19.620 331 H TRP 39 H TRP 39 -9.884 -4.246 -13.652 332 HA TRP 39 HA TRP 39 -12.557 -3.639 -14.417 333 HB2 TRP 39 HB2 TRP 39 -11.832 -4.092 -12.071 334 HB3 TRP 39 HB3 TRP 39 -10.993 -2.543 -12.071 335 HD1 TRP 39 HD1 TRP 39 -14.439 -4.073 -11.722 336 HE1 TRP 39 HE1 TRP 39 -16.122 -2.233 -11.087 337 HE3 TRP 39 HE3 TRP 39 -11.460 0.024 -12.412 338 HZ2 TRP 39 HZ2 TRP 39 -16.180 0.584 -10.904 339 HZ3 TRP 39 HZ3 TRP 39 -12.406 2.255 -11.986 340 HH2 TRP 39 HH2 TRP 39 -14.717 2.527 -11.248 341 H LEU 40 H LEU 40 -9.633 -1.676 -13.983 342 HA LEU 40 HA LEU 40 -11.034 0.650 -15.071 343 HB2 LEU 40 HB2 LEU 40 -9.611 0.767 -12.983 344 HB3 LEU 40 HB3 LEU 40 -8.213 0.534 -14.031 345 HG LEU 40 HG LEU 40 -8.639 2.630 -15.143 346 HD11 LEU 40 HD11 LEU 40 -11.050 2.636 -15.144 347 HD12 LEU 40 HD12 LEU 40 -10.460 4.113 -14.384 348 HD13 LEU 40 HD13 LEU 40 -11.084 2.799 -13.388 349 HD21 LEU 40 HD21 LEU 40 -7.484 2.490 -12.849 350 HD22 LEU 40 HD22 LEU 40 -8.958 3.229 -12.223 351 HD23 LEU 40 HD23 LEU 40 -7.992 4.074 -13.434 352 H LYS 41 H LYS 41 -10.398 -1.590 -16.775 353 HA LYS 41 HA LYS 41 -8.188 -0.646 -18.428 354 HB2 LYS 41 HB2 LYS 41 -8.229 -3.013 -18.094 355 HB3 LYS 41 HB3 LYS 41 -9.928 -3.109 -18.537 356 HG2 LYS 41 HG2 LYS 41 -9.484 -2.827 -20.800 357 HG3 LYS 41 HG3 LYS 41 -7.886 -2.141 -20.498 358 HD2 LYS 41 HD2 LYS 41 -8.633 -4.994 -19.873 359 HD3 LYS 41 HD3 LYS 41 -7.874 -4.485 -21.383 360 HE2 LYS 41 HE2 LYS 41 -6.044 -3.469 -19.952 361 HE3 LYS 41 HE3 LYS 41 -6.753 -4.342 -18.594 362 HZ1 LYS 41 HZ1 LYS 41 -4.912 -5.311 -20.380 363 HZ2 LYS 41 HZ2 LYS 41 -6.364 -6.044 -20.845 364 HZ3 LYS 41 HZ3 LYS 41 -5.799 -6.217 -19.260 365 H ARG 42 H ARG 42 -11.648 -0.648 -18.335 366 HA ARG 42 HA ARG 42 -11.783 0.320 -21.104 367 HB2 ARG 42 HB2 ARG 42 -13.272 -1.589 -20.206 368 HB3 ARG 42 HB3 ARG 42 -14.157 -0.318 -19.373 369 HG2 ARG 42 HG2 ARG 42 -14.564 0.778 -21.546 370 HG3 ARG 42 HG3 ARG 42 -13.758 -0.573 -22.345 371 HD2 ARG 42 HD2 ARG 42 -16.176 -0.845 -20.566 372 HD3 ARG 42 HD3 ARG 42 -16.245 -0.732 -22.324 373 HE ARG 42 HE ARG 42 -14.568 -2.799 -21.941 374 HH11 ARG 42 HH11 ARG 42 -17.710 -2.049 -20.644 375 HH12 ARG 42 HH12 ARG 42 -18.176 -3.708 -20.464 376 HH21 ARG 42 HH21 ARG 42 -15.169 -4.987 -21.709 377 HH22 ARG 42 HH22 ARG 42 -16.729 -5.379 -21.069 378 H HIS 43 H HIS 43 -13.288 1.058 -17.952 379 HA HIS 43 HA HIS 43 -12.985 3.913 -18.555 380 HB2 HIS 43 HB2 HIS 43 -15.359 2.902 -19.004 381 HB3 HIS 43 HB3 HIS 43 -15.505 2.948 -17.250 382 HD1 HIS 43 HD1 HIS 43 -15.750 5.046 -20.241 383 HD2 HIS 43 HD2 HIS 43 -15.319 5.621 -16.149 384 HE1 HIS 43 HE1 HIS 43 -16.328 7.460 -19.837 Start of MODEL 14 1 HCN FME 1 HF FME 1 -2.620 -2.022 0.513 2 HA FME 1 HA FME 1 1.025 -0.069 -0.397 3 HB2 FME 1 HB2 FME 1 1.963 -1.083 1.870 4 HB3 FME 1 HB3 FME 1 0.212 -1.239 2.249 5 HG2 FME 1 HG2 FME 1 -0.166 1.158 2.034 6 HG3 FME 1 HG3 FME 1 1.455 1.435 1.302 7 HE1 FME 1 HE8 FME 1 -0.496 2.168 3.938 8 HE2 FME 1 HE2 FME 1 0.341 1.977 5.532 9 HE3 FME 1 HE3 FME 1 -0.525 0.567 4.781 10 H GLY 2 H GLY 2 1.064 -1.351 -2.299 11 HA2 GLY 2 HA2 GLY 2 3.188 -2.730 -2.791 12 HA3 GLY 2 HA3 GLY 2 2.345 -3.966 -1.869 13 H ALA 3 H ALA 3 -0.278 -3.324 -2.891 14 HA ALA 3 HA ALA 3 -0.060 -4.720 -5.434 15 HB1 ALA 3 HB1 ALA 3 -2.655 -3.946 -4.164 16 HB2 ALA 3 HB2 ALA 3 -2.274 -5.345 -5.168 17 HB3 ALA 3 HB3 ALA 3 -1.696 -5.271 -3.504 18 H ILE 4 H ILE 4 -0.813 -1.566 -4.205 19 HA ILE 4 HA ILE 4 -2.241 -0.575 -6.438 20 HB ILE 4 HB ILE 4 -0.577 0.945 -4.427 21 HG12 ILE 4 HG12 ILE 4 -2.404 -0.396 -3.429 22 HG13 ILE 4 HG13 ILE 4 -2.680 1.335 -3.262 23 HG21 ILE 4 HG21 ILE 4 -2.080 1.778 -6.772 24 HG22 ILE 4 HG22 ILE 4 -2.604 2.593 -5.299 25 HG23 ILE 4 HG23 ILE 4 -0.914 2.673 -5.798 26 HD11 ILE 4 HD11 ILE 4 -3.882 0.427 -5.682 27 HD12 ILE 4 HD12 ILE 4 -4.399 -0.602 -4.345 28 HD13 ILE 4 HD13 ILE 4 -4.639 1.143 -4.259 29 H ALA 5 H ALA 5 1.133 -1.055 -5.801 30 HA ALA 5 HA ALA 5 2.167 0.747 -7.734 31 HB1 ALA 5 HB1 ALA 5 3.817 -1.601 -7.248 32 HB2 ALA 5 HB2 ALA 5 4.152 0.104 -6.942 33 HB3 ALA 5 HB3 ALA 5 3.244 -0.842 -5.763 34 H LYS 6 H LYS 6 0.833 -2.447 -7.910 35 HA LYS 6 HA LYS 6 1.944 -3.060 -10.495 36 HB2 LYS 6 HB2 LYS 6 -0.308 -4.389 -8.976 37 HB3 LYS 6 HB3 LYS 6 0.481 -5.033 -10.410 38 HG2 LYS 6 HG2 LYS 6 2.181 -4.374 -8.069 39 HG3 LYS 6 HG3 LYS 6 1.151 -5.805 -7.977 40 HD2 LYS 6 HD2 LYS 6 2.854 -5.361 -10.392 41 HD3 LYS 6 HD3 LYS 6 3.582 -5.995 -8.914 42 HE2 LYS 6 HE2 LYS 6 1.562 -7.657 -8.993 43 HE3 LYS 6 HE3 LYS 6 1.524 -7.218 -10.700 44 HZ1 LYS 6 HZ1 LYS 6 3.806 -8.408 -9.221 45 HZ2 LYS 6 HZ2 LYS 6 3.896 -7.853 -10.816 46 HZ3 LYS 6 HZ3 LYS 6 2.879 -9.148 -10.428 47 H LEU 7 H LEU 7 -0.902 -1.512 -9.261 48 HA LEU 7 HA LEU 7 -2.273 -1.640 -11.825 49 HB2 LEU 7 HB2 LEU 7 -3.199 -0.035 -9.477 50 HB3 LEU 7 HB3 LEU 7 -4.153 -0.801 -10.746 51 HG LEU 7 HG LEU 7 -2.668 -2.345 -8.626 52 HD11 LEU 7 HD11 LEU 7 -5.304 -2.599 -8.015 53 HD12 LEU 7 HD12 LEU 7 -5.219 -0.908 -8.508 54 HD13 LEU 7 HD13 LEU 7 -4.184 -1.500 -7.209 55 HD21 LEU 7 HD21 LEU 7 -4.699 -3.905 -9.416 56 HD22 LEU 7 HD22 LEU 7 -3.107 -3.933 -10.175 57 HD23 LEU 7 HD23 LEU 7 -4.419 -3.010 -10.910 58 H VAL 8 H VAL 8 -0.805 0.774 -9.687 59 HA VAL 8 HA VAL 8 -1.387 3.020 -11.304 60 HB VAL 8 HB VAL 8 0.837 2.643 -9.294 61 HG11 VAL 8 HG11 VAL 8 1.595 4.608 -10.008 62 HG12 VAL 8 HG12 VAL 8 0.218 4.814 -11.091 63 HG13 VAL 8 HG13 VAL 8 0.102 5.328 -9.408 64 HG21 VAL 8 HG21 VAL 8 -0.590 3.418 -7.649 65 HG22 VAL 8 HG22 VAL 8 -1.688 4.170 -8.807 66 HG23 VAL 8 HG23 VAL 8 -1.666 2.416 -8.622 67 H ALA 9 H ALA 9 1.175 0.651 -11.340 68 HA ALA 9 HA ALA 9 3.147 1.938 -12.780 69 HB1 ALA 9 HB1 ALA 9 2.329 -0.862 -12.388 70 HB2 ALA 9 HB2 ALA 9 3.315 -0.550 -13.817 71 HB3 ALA 9 HB3 ALA 9 3.913 -0.104 -12.219 72 H LYS 10 H LYS 10 0.059 0.748 -13.862 73 HA LYS 10 HA LYS 10 0.763 1.398 -16.644 74 HB2 LYS 10 HB2 LYS 10 -1.639 -0.151 -15.664 75 HB3 LYS 10 HB3 LYS 10 -1.096 0.022 -17.328 76 HG2 LYS 10 HG2 LYS 10 0.566 -1.297 -15.201 77 HG3 LYS 10 HG3 LYS 10 -0.584 -2.176 -16.211 78 HD2 LYS 10 HD2 LYS 10 1.476 -0.426 -17.487 79 HD3 LYS 10 HD3 LYS 10 1.929 -2.030 -16.907 80 HE2 LYS 10 HE2 LYS 10 1.325 -2.535 -19.055 81 HE3 LYS 10 HE3 LYS 10 -0.224 -2.750 -18.241 82 HZ1 LYS 10 HZ1 LYS 10 0.480 -0.128 -19.376 83 HZ2 LYS 10 HZ2 LYS 10 -1.048 -0.799 -19.103 84 HZ3 LYS 10 HZ3 LYS 10 -0.100 -1.351 -20.391 85 H PHE 11 H PHE 11 -1.625 1.964 -14.106 86 HA PHE 11 HA PHE 11 -3.205 3.755 -15.688 87 HB2 PHE 11 HB2 PHE 11 -3.146 3.293 -12.699 88 HB3 PHE 11 HB3 PHE 11 -4.356 4.248 -13.549 89 HD1 PHE 11 HD2 PHE 11 -4.840 2.565 -15.921 90 HD2 PHE 11 HD1 PHE 11 -4.340 1.505 -11.829 91 HE1 PHE 11 HE2 PHE 11 -6.184 0.536 -16.285 92 HE2 PHE 11 HE1 PHE 11 -5.682 -0.526 -12.187 93 HZ PHE 11 HZ PHE 11 -6.607 -1.012 -14.417 94 H GLY 12 H GLY 12 -1.541 4.451 -12.615 95 HA2 GLY 12 HA2 GLY 12 0.297 6.149 -12.733 96 HA3 GLY 12 HA3 GLY 12 -0.795 7.074 -13.754 97 H TRP 13 H TRP 13 0.126 8.434 -11.714 98 HA TRP 13 HA TRP 13 -1.292 8.143 -9.275 99 HB2 TRP 13 HB2 TRP 13 -0.253 10.807 -10.143 100 HB3 TRP 13 HB3 TRP 13 -0.169 10.031 -8.564 101 HD1 TRP 13 HD1 TRP 13 2.020 10.966 -11.282 102 HE1 TRP 13 HE1 TRP 13 4.203 9.603 -11.264 103 HE3 TRP 13 HE3 TRP 13 0.616 7.228 -8.091 104 HZ2 TRP 13 HZ2 TRP 13 5.198 7.254 -10.057 105 HZ3 TRP 13 HZ3 TRP 13 2.242 5.460 -7.556 106 HH2 TRP 13 HH2 TRP 13 4.485 5.474 -8.520 107 HA PRO 14 HA PRO 14 -4.059 11.713 -11.035 108 HB2 PRO 14 HB2 PRO 14 -3.939 12.130 -13.715 109 HB3 PRO 14 HB3 PRO 14 -2.895 12.972 -12.564 110 HG2 PRO 14 HG2 PRO 14 -2.296 10.586 -14.269 111 HG3 PRO 14 HG3 PRO 14 -1.286 12.006 -13.938 112 HD2 PRO 14 HD2 PRO 14 -0.929 9.638 -12.675 113 HD3 PRO 14 HD3 PRO 14 -0.599 11.196 -11.892 114 H PHE 15 H PHE 15 -3.555 8.621 -12.319 115 HA PHE 15 HA PHE 15 -6.283 8.484 -13.404 116 HB2 PHE 15 HB2 PHE 15 -4.092 7.683 -14.657 117 HB3 PHE 15 HB3 PHE 15 -4.342 6.232 -13.693 118 HD1 PHE 15 HD2 PHE 15 -6.487 4.970 -13.922 119 HD2 PHE 15 HD1 PHE 15 -5.401 8.131 -16.557 120 HE1 PHE 15 HE2 PHE 15 -8.137 4.166 -15.560 121 HE2 PHE 15 HE1 PHE 15 -7.050 7.332 -18.200 122 HZ PHE 15 HZ PHE 15 -8.420 5.347 -17.703 123 H ILE 16 H ILE 16 -4.181 7.279 -10.914 124 HA ILE 16 HA ILE 16 -6.056 5.225 -10.080 125 HB ILE 16 HB ILE 16 -3.557 4.927 -9.943 126 HG12 ILE 16 HG12 ILE 16 -3.902 4.271 -7.299 127 HG13 ILE 16 HG13 ILE 16 -5.564 4.369 -7.872 128 HG21 ILE 16 HG21 ILE 16 -3.107 7.220 -9.089 129 HG22 ILE 16 HG22 ILE 16 -3.795 6.730 -7.542 130 HG23 ILE 16 HG23 ILE 16 -2.337 5.944 -8.147 131 HD11 ILE 16 HD11 ILE 16 -5.255 2.650 -9.412 132 HD12 ILE 16 HD12 ILE 16 -3.497 2.778 -9.341 133 HD13 ILE 16 HD13 ILE 16 -4.389 2.110 -7.974 134 H LYS 17 H LYS 17 -5.146 8.473 -9.223 135 HA LYS 17 HA LYS 17 -6.396 8.472 -6.648 136 HB2 LYS 17 HB2 LYS 17 -5.918 10.807 -6.589 137 HB3 LYS 17 HB3 LYS 17 -4.548 10.025 -7.367 138 HG2 LYS 17 HG2 LYS 17 -5.398 10.695 -9.553 139 HG3 LYS 17 HG3 LYS 17 -6.783 11.469 -8.779 140 HD2 LYS 17 HD2 LYS 17 -4.734 12.626 -7.435 141 HD3 LYS 17 HD3 LYS 17 -3.991 12.373 -9.016 142 HE2 LYS 17 HE2 LYS 17 -6.644 13.734 -8.570 143 HE3 LYS 17 HE3 LYS 17 -5.110 14.581 -8.766 144 HZ1 LYS 17 HZ1 LYS 17 -6.470 14.384 -10.826 145 HZ2 LYS 17 HZ2 LYS 17 -6.213 12.713 -10.788 146 HZ3 LYS 17 HZ3 LYS 17 -4.902 13.766 -10.968 147 H LYS 18 H LYS 18 -7.512 8.755 -9.863 148 HA LYS 18 HA LYS 18 -9.847 10.321 -9.326 149 HB2 LYS 18 HB2 LYS 18 -8.826 8.729 -11.639 150 HB3 LYS 18 HB3 LYS 18 -10.528 9.172 -11.608 151 HG2 LYS 18 HG2 LYS 18 -8.367 11.215 -11.237 152 HG3 LYS 18 HG3 LYS 18 -8.915 10.716 -12.839 153 HD2 LYS 18 HD2 LYS 18 -11.073 11.555 -12.486 154 HD3 LYS 18 HD3 LYS 18 -10.854 11.627 -10.736 155 HE2 LYS 18 HE2 LYS 18 -9.400 13.494 -10.910 156 HE3 LYS 18 HE3 LYS 18 -9.259 13.307 -12.657 157 HZ1 LYS 18 HZ1 LYS 18 -11.430 14.074 -12.979 158 HZ2 LYS 18 HZ2 LYS 18 -10.786 15.121 -11.818 159 HZ3 LYS 18 HZ3 LYS 18 -11.848 13.891 -11.350 160 H PHE 19 H PHE 19 -9.023 6.956 -9.138 161 HA PHE 19 HA PHE 19 -11.775 6.375 -8.277 162 HB2 PHE 19 HB2 PHE 19 -10.032 4.807 -10.159 163 HB3 PHE 19 HB3 PHE 19 -11.304 4.016 -9.234 164 HD1 PHE 19 HD2 PHE 19 -10.732 6.852 -11.571 165 HD2 PHE 19 HD1 PHE 19 -13.460 3.954 -10.065 166 HE1 PHE 19 HE2 PHE 19 -12.376 7.520 -13.275 167 HE2 PHE 19 HE1 PHE 19 -15.109 4.617 -11.766 168 HZ PHE 19 HZ PHE 19 -14.569 6.403 -13.373 169 H TYR 20 H TYR 20 -9.249 7.017 -6.839 170 HA TYR 20 HA TYR 20 -8.096 4.757 -5.677 171 HB2 TYR 20 HB2 TYR 20 -7.585 7.370 -5.485 172 HB3 TYR 20 HB3 TYR 20 -8.484 7.176 -3.984 173 HD1 TYR 20 HD1 TYR 20 -5.939 5.095 -5.774 174 HD2 TYR 20 HD2 TYR 20 -7.066 7.064 -2.174 175 HE1 TYR 20 HE1 TYR 20 -3.910 4.240 -4.678 176 HE2 TYR 20 HE2 TYR 20 -5.039 6.215 -1.069 177 HH TYR 20 HH TYR 20 -2.671 4.244 -2.835 178 H LYS 21 H LYS 21 -11.171 6.242 -5.150 179 HA LYS 21 HA LYS 21 -11.711 5.265 -2.557 180 HB2 LYS 21 HB2 LYS 21 -13.568 6.006 -4.823 181 HB3 LYS 21 HB3 LYS 21 -14.111 5.628 -3.193 182 HG2 LYS 21 HG2 LYS 21 -12.730 7.507 -2.351 183 HG3 LYS 21 HG3 LYS 21 -12.345 7.920 -4.024 184 HD2 LYS 21 HD2 LYS 21 -14.772 8.178 -4.466 185 HD3 LYS 21 HD3 LYS 21 -15.082 7.888 -2.753 186 HE2 LYS 21 HE2 LYS 21 -13.911 9.867 -2.129 187 HE3 LYS 21 HE3 LYS 21 -13.293 10.089 -3.765 188 HZ1 LYS 21 HZ1 LYS 21 -15.078 11.279 -4.245 189 HZ2 LYS 21 HZ2 LYS 21 -15.660 11.085 -2.669 190 HZ3 LYS 21 HZ3 LYS 21 -16.092 9.977 -3.873 191 H GLN 22 H GLN 22 -12.253 3.919 -5.779 192 HA GLN 22 HA GLN 22 -13.504 1.540 -4.696 193 HB2 GLN 22 HB2 GLN 22 -12.647 2.003 -7.550 194 HB3 GLN 22 HB3 GLN 22 -13.859 0.874 -6.957 195 HG2 GLN 22 HG2 GLN 22 -14.031 3.849 -7.217 196 HG3 GLN 22 HG3 GLN 22 -15.091 2.611 -7.889 197 HE21 GLN 22 HE21 GLN 22 -15.525 5.004 -6.118 198 HE22 GLN 22 HE22 GLN 22 -16.433 4.390 -4.782 199 H ILE 23 H ILE 23 -10.496 2.383 -6.381 200 HA ILE 23 HA ILE 23 -9.356 -0.118 -6.612 201 HB ILE 23 HB ILE 23 -7.938 2.470 -5.966 202 HG12 ILE 23 HG12 ILE 23 -7.930 1.331 -8.699 203 HG13 ILE 23 HG13 ILE 23 -9.469 1.979 -8.144 204 HG21 ILE 23 HG21 ILE 23 -6.397 0.751 -5.528 205 HG22 ILE 23 HG22 ILE 23 -6.934 -0.197 -6.914 206 HG23 ILE 23 HG23 ILE 23 -6.027 1.294 -7.165 207 HD11 ILE 23 HD11 ILE 23 -7.078 3.357 -9.007 208 HD12 ILE 23 HD12 ILE 23 -8.730 3.950 -8.835 209 HD13 ILE 23 HD13 ILE 23 -7.652 3.928 -7.440 210 H MET 24 H MET 24 -8.618 2.183 -3.982 211 HA MET 24 HA MET 24 -7.237 0.391 -2.363 212 HB2 MET 24 HB2 MET 24 -8.764 2.911 -1.768 213 HB3 MET 24 HB3 MET 24 -7.997 1.992 -0.480 214 HG2 MET 24 HG2 MET 24 -6.507 2.968 -2.896 215 HG3 MET 24 HG3 MET 24 -6.680 3.918 -1.423 216 HE1 MET 24 HE1 MET 24 -6.038 3.440 0.653 217 HE2 MET 24 HE2 MET 24 -5.474 1.881 1.255 218 HE3 MET 24 HE3 MET 24 -4.309 3.127 0.807 219 H GLN 25 H GLN 25 -10.633 0.758 -2.893 220 HA GLN 25 HA GLN 25 -11.438 -0.639 -0.508 221 HB2 GLN 25 HB2 GLN 25 -12.786 0.600 -2.833 222 HB3 GLN 25 HB3 GLN 25 -13.633 -0.744 -2.078 223 HG2 GLN 25 HG2 GLN 25 -12.639 1.678 -0.597 224 HG3 GLN 25 HG3 GLN 25 -14.280 1.487 -1.213 225 HE21 GLN 25 HE21 GLN 25 -14.621 1.881 1.169 226 HE22 GLN 25 HE22 GLN 25 -14.701 0.485 2.183 227 H PHE 26 H PHE 26 -10.537 -1.475 -3.736 228 HA PHE 26 HA PHE 26 -11.772 -4.074 -3.710 229 HB2 PHE 26 HB2 PHE 26 -9.752 -2.794 -5.557 230 HB3 PHE 26 HB3 PHE 26 -10.384 -4.421 -5.789 231 HD1 PHE 26 HD1 PHE 26 -13.207 -4.103 -5.134 232 HD2 PHE 26 HD2 PHE 26 -10.595 -1.530 -7.296 233 HE1 PHE 26 HE1 PHE 26 -15.133 -3.181 -6.357 234 HE2 PHE 26 HE2 PHE 26 -12.517 -0.603 -8.521 235 HZ PHE 26 HZ PHE 26 -14.790 -1.428 -8.052 236 H ILE 27 H ILE 27 -8.594 -2.736 -3.041 237 HA ILE 27 HA ILE 27 -7.145 -5.139 -2.934 238 HB ILE 27 HB ILE 27 -6.665 -2.598 -1.373 239 HG12 ILE 27 HG12 ILE 27 -6.707 -2.181 -3.770 240 HG13 ILE 27 HG13 ILE 27 -5.050 -2.092 -3.183 241 HG21 ILE 27 HG21 ILE 27 -5.236 -5.150 -1.529 242 HG22 ILE 27 HG22 ILE 27 -4.226 -3.731 -1.797 243 HG23 ILE 27 HG23 ILE 27 -5.162 -3.879 -0.310 244 HD11 ILE 27 HD11 ILE 27 -6.191 -3.786 -5.201 245 HD12 ILE 27 HD12 ILE 27 -4.498 -3.498 -4.796 246 HD13 ILE 27 HD13 ILE 27 -5.409 -4.745 -3.945 247 H GLY 28 H GLY 28 -8.725 -3.284 -0.332 248 HA2 GLY 28 HA2 GLY 28 -8.084 -5.132 1.722 249 HA3 GLY 28 HA3 GLY 28 -9.320 -3.885 1.805 250 H GLN 29 H GLN 29 -10.486 -5.161 -0.734 251 HA GLN 29 HA GLN 29 -12.329 -6.866 0.666 252 HB2 GLN 29 HB2 GLN 29 -13.245 -5.431 -1.010 253 HB3 GLN 29 HB3 GLN 29 -12.106 -6.010 -2.218 254 HG2 GLN 29 HG2 GLN 29 -14.281 -6.945 -2.632 255 HG3 GLN 29 HG3 GLN 29 -13.170 -8.220 -2.137 256 HE21 GLN 29 HE21 GLN 29 -14.995 -9.491 -1.588 257 HE22 GLN 29 HE22 GLN 29 -15.846 -9.226 -0.109 258 H GLY 30 H GLY 30 -9.561 -7.283 -1.398 259 HA2 GLY 30 HA2 GLY 30 -8.368 -9.404 -1.190 260 HA3 GLY 30 HA3 GLY 30 -9.932 -10.206 -1.191 261 H TRP 31 H TRP 31 -9.517 -7.580 -3.370 262 HA TRP 31 HA TRP 31 -9.893 -9.321 -5.623 263 HB2 TRP 31 HB2 TRP 31 -9.688 -6.355 -5.242 264 HB3 TRP 31 HB3 TRP 31 -9.559 -7.036 -6.861 265 HD1 TRP 31 HD1 TRP 31 -11.958 -8.666 -4.398 266 HE1 TRP 31 HE1 TRP 31 -14.373 -8.222 -5.167 267 HE3 TRP 31 HE3 TRP 31 -11.015 -5.312 -8.141 268 HZ2 TRP 31 HZ2 TRP 31 -15.704 -6.659 -7.105 269 HZ3 TRP 31 HZ3 TRP 31 -12.915 -4.391 -9.404 270 HH2 TRP 31 HH2 TRP 31 -15.210 -5.051 -8.895 271 H THR 32 H THR 32 -8.430 -10.012 -7.078 272 HA THR 32 HA THR 32 -5.669 -9.909 -6.446 273 HB THR 32 HB THR 32 -5.491 -10.866 -8.881 274 HG1 THR 32 HG1 THR 32 -8.202 -11.504 -8.415 275 HG21 THR 32 HG21 THR 32 -6.303 -12.031 -6.337 276 HG22 THR 32 HG22 THR 32 -5.118 -12.600 -7.513 277 HG23 THR 32 HG23 THR 32 -6.825 -12.989 -7.722 278 H ILE 33 H ILE 33 -4.046 -9.350 -8.272 279 HA ILE 33 HA ILE 33 -4.158 -6.554 -8.683 280 HB ILE 33 HB ILE 33 -2.332 -8.557 -10.016 281 HG12 ILE 33 HG12 ILE 33 -0.844 -7.338 -8.089 282 HG13 ILE 33 HG13 ILE 33 -2.418 -7.396 -7.302 283 HG21 ILE 33 HG21 ILE 33 -2.327 -6.432 -11.166 284 HG22 ILE 33 HG22 ILE 33 -2.093 -5.575 -9.644 285 HG23 ILE 33 HG23 ILE 33 -0.820 -6.622 -10.271 286 HD11 ILE 33 HD11 ILE 33 -2.378 -9.644 -7.093 287 HD12 ILE 33 HD12 ILE 33 -1.478 -9.881 -8.592 288 HD13 ILE 33 HD13 ILE 33 -0.638 -9.361 -7.131 289 H ASP 34 H ASP 34 -5.184 -9.261 -10.576 290 HA ASP 34 HA ASP 34 -5.334 -7.778 -13.052 291 HB2 ASP 34 HB2 ASP 34 -6.258 -9.806 -14.002 292 HB3 ASP 34 HB3 ASP 34 -4.863 -10.219 -13.008 293 H GLN 35 H GLN 35 -7.412 -8.559 -10.381 294 HA GLN 35 HA GLN 35 -9.924 -8.226 -11.522 295 HB2 GLN 35 HB2 GLN 35 -8.832 -7.797 -8.768 296 HB3 GLN 35 HB3 GLN 35 -10.483 -7.311 -9.129 297 HG2 GLN 35 HG2 GLN 35 -9.540 -10.066 -9.794 298 HG3 GLN 35 HG3 GLN 35 -10.029 -9.657 -8.151 299 HE21 GLN 35 HE21 GLN 35 -11.303 -11.564 -9.776 300 HE22 GLN 35 HE22 GLN 35 -12.910 -11.014 -10.093 301 H ILE 36 H ILE 36 -7.693 -5.803 -10.228 302 HA ILE 36 HA ILE 36 -9.495 -3.623 -10.777 303 HB ILE 36 HB ILE 36 -6.570 -3.566 -10.025 304 HG12 ILE 36 HG12 ILE 36 -7.772 -2.727 -7.816 305 HG13 ILE 36 HG13 ILE 36 -9.109 -3.678 -8.454 306 HG21 ILE 36 HG21 ILE 36 -6.798 -1.448 -10.779 307 HG22 ILE 36 HG22 ILE 36 -8.553 -1.463 -10.615 308 HG23 ILE 36 HG23 ILE 36 -7.538 -1.204 -9.197 309 HD11 ILE 36 HD11 ILE 36 -8.007 -5.660 -8.176 310 HD12 ILE 36 HD12 ILE 36 -6.411 -4.918 -8.297 311 HD13 ILE 36 HD13 ILE 36 -7.362 -4.731 -6.824 312 H GLU 37 H GLU 37 -6.429 -4.799 -12.142 313 HA GLU 37 HA GLU 37 -6.029 -2.894 -14.097 314 HB2 GLU 37 HB2 GLU 37 -5.359 -5.808 -13.920 315 HB3 GLU 37 HB3 GLU 37 -5.029 -4.930 -15.407 316 HG2 GLU 37 HG2 GLU 37 -4.059 -3.899 -12.774 317 HG3 GLU 37 HG3 GLU 37 -3.170 -5.147 -13.645 318 H LYS 38 H LYS 38 -8.325 -5.514 -14.016 319 HA LYS 38 HA LYS 38 -9.070 -5.114 -16.806 320 HB2 LYS 38 HB2 LYS 38 -8.920 -7.404 -15.774 321 HB3 LYS 38 HB3 LYS 38 -10.312 -6.985 -14.785 322 HG2 LYS 38 HG2 LYS 38 -11.139 -8.231 -16.603 323 HG3 LYS 38 HG3 LYS 38 -11.559 -6.548 -16.931 324 HD2 LYS 38 HD2 LYS 38 -9.896 -6.337 -18.570 325 HD3 LYS 38 HD3 LYS 38 -9.048 -7.784 -18.021 326 HE2 LYS 38 HE2 LYS 38 -10.215 -8.240 -20.094 327 HE3 LYS 38 HE3 LYS 38 -10.944 -9.156 -18.777 328 HZ1 LYS 38 HZ1 LYS 38 -12.099 -6.543 -19.317 329 HZ2 LYS 38 HZ2 LYS 38 -12.857 -8.000 -18.911 330 HZ3 LYS 38 HZ3 LYS 38 -12.354 -7.724 -20.502 331 H TRP 39 H TRP 39 -10.294 -4.529 -13.568 332 HA TRP 39 HA TRP 39 -12.923 -3.805 -14.256 333 HB2 TRP 39 HB2 TRP 39 -12.179 -4.298 -11.945 334 HB3 TRP 39 HB3 TRP 39 -11.257 -2.797 -11.940 335 HD1 TRP 39 HD1 TRP 39 -14.820 -4.127 -11.677 336 HE1 TRP 39 HE1 TRP 39 -16.363 -2.221 -10.897 337 HE3 TRP 39 HE3 TRP 39 -11.525 -0.231 -11.999 338 HZ2 TRP 39 HZ2 TRP 39 -16.205 0.565 -10.474 339 HZ3 TRP 39 HZ3 TRP 39 -12.301 2.023 -11.389 340 HH2 TRP 39 HH2 TRP 39 -14.593 2.411 -10.643 341 H LEU 40 H LEU 40 -9.921 -1.972 -14.152 342 HA LEU 40 HA LEU 40 -11.369 0.397 -15.125 343 HB2 LEU 40 HB2 LEU 40 -9.980 0.541 -13.014 344 HB3 LEU 40 HB3 LEU 40 -8.564 0.325 -14.042 345 HG LEU 40 HG LEU 40 -9.011 2.409 -15.173 346 HD11 LEU 40 HD11 LEU 40 -11.421 2.383 -15.191 347 HD12 LEU 40 HD12 LEU 40 -10.857 3.871 -14.431 348 HD13 LEU 40 HD13 LEU 40 -11.471 2.550 -13.436 349 HD21 LEU 40 HD21 LEU 40 -7.921 2.255 -12.811 350 HD22 LEU 40 HD22 LEU 40 -9.382 3.094 -12.289 351 HD23 LEU 40 HD23 LEU 40 -8.324 3.830 -13.493 352 H LYS 41 H LYS 41 -10.698 -1.834 -16.813 353 HA LYS 41 HA LYS 41 -8.497 -0.822 -18.456 354 HB2 LYS 41 HB2 LYS 41 -9.073 -3.354 -17.757 355 HB3 LYS 41 HB3 LYS 41 -9.987 -3.260 -19.256 356 HG2 LYS 41 HG2 LYS 41 -7.852 -2.415 -20.334 357 HG3 LYS 41 HG3 LYS 41 -7.032 -2.919 -18.855 358 HD2 LYS 41 HD2 LYS 41 -7.861 -5.203 -19.180 359 HD3 LYS 41 HD3 LYS 41 -8.674 -4.695 -20.662 360 HE2 LYS 41 HE2 LYS 41 -6.629 -4.291 -21.763 361 HE3 LYS 41 HE3 LYS 41 -5.716 -4.353 -20.257 362 HZ1 LYS 41 HZ1 LYS 41 -7.079 -6.784 -20.596 363 HZ2 LYS 41 HZ2 LYS 41 -5.411 -6.510 -20.556 364 HZ3 LYS 41 HZ3 LYS 41 -6.244 -6.440 -22.027 365 H ARG 42 H ARG 42 -11.205 0.437 -18.227 366 HA ARG 42 HA ARG 42 -12.744 1.446 -19.564 367 HB2 ARG 42 HB2 ARG 42 -10.464 0.974 -21.459 368 HB3 ARG 42 HB3 ARG 42 -11.967 1.683 -22.036 369 HG2 ARG 42 HG2 ARG 42 -10.864 3.592 -21.540 370 HG3 ARG 42 HG3 ARG 42 -11.552 3.275 -19.946 371 HD2 ARG 42 HD2 ARG 42 -9.322 3.714 -19.475 372 HD3 ARG 42 HD3 ARG 42 -9.380 1.952 -19.520 373 HE ARG 42 HE ARG 42 -8.708 3.086 -22.055 374 HH11 ARG 42 HH11 ARG 42 -7.434 2.188 -18.942 375 HH12 ARG 42 HH12 ARG 42 -5.817 1.966 -19.522 376 HH21 ARG 42 HH21 ARG 42 -6.583 2.796 -22.831 377 HH22 ARG 42 HH22 ARG 42 -5.333 2.313 -21.734 378 H HIS 43 H HIS 43 -13.316 -1.181 -19.023 379 HA HIS 43 HA HIS 43 -13.763 -2.911 -21.130 380 HB2 HIS 43 HB2 HIS 43 -15.521 -3.919 -19.754 381 HB3 HIS 43 HB3 HIS 43 -14.110 -3.525 -18.777 382 HD1 HIS 43 HD1 HIS 43 -14.368 -1.631 -17.031 383 HD2 HIS 43 HD2 HIS 43 -17.842 -2.487 -19.142 384 HE1 HIS 43 HE1 HIS 43 -16.217 -0.474 -15.780 Start of MODEL 15 1 HCN FME 1 HF FME 1 -4.009 -0.761 -0.194 2 HA FME 1 HA FME 1 -0.451 -0.512 0.086 3 HB2 FME 1 HB2 FME 1 0.638 -1.378 2.354 4 HB3 FME 1 HB3 FME 1 -1.085 -1.658 2.788 5 HG2 FME 1 HG2 FME 1 -1.642 0.728 2.374 6 HG3 FME 1 HG3 FME 1 0.031 1.065 1.801 7 HE1 FME 1 HE8 FME 1 -1.903 2.182 3.832 8 HE2 FME 1 HE2 FME 1 -0.492 3.055 4.560 9 HE3 FME 1 HE3 FME 1 -1.547 1.999 5.598 10 H GLY 2 H GLY 2 0.193 -1.488 -1.662 11 HA2 GLY 2 HA2 GLY 2 2.320 -2.858 -1.981 12 HA3 GLY 2 HA3 GLY 2 1.361 -4.175 -1.320 13 H ALA 3 H ALA 3 -1.075 -3.239 -2.709 14 HA ALA 3 HA ALA 3 -0.401 -4.307 -5.362 15 HB1 ALA 3 HB1 ALA 3 -2.960 -4.308 -3.784 16 HB2 ALA 3 HB2 ALA 3 -2.890 -4.745 -5.491 17 HB3 ALA 3 HB3 ALA 3 -1.994 -5.689 -4.301 18 H ILE 4 H ILE 4 0.108 -1.575 -4.801 19 HA ILE 4 HA ILE 4 -1.997 -0.212 -6.343 20 HB ILE 4 HB ILE 4 0.137 1.028 -4.602 21 HG12 ILE 4 HG12 ILE 4 -1.517 -0.207 -3.276 22 HG13 ILE 4 HG13 ILE 4 -1.700 1.529 -3.048 23 HG21 ILE 4 HG21 ILE 4 -1.631 2.105 -6.602 24 HG22 ILE 4 HG22 ILE 4 -1.965 2.815 -5.024 25 HG23 ILE 4 HG23 ILE 4 -0.340 2.899 -5.701 26 HD11 ILE 4 HD11 ILE 4 -3.436 -0.318 -4.653 27 HD12 ILE 4 HD12 ILE 4 -3.870 0.636 -3.234 28 HD13 ILE 4 HD13 ILE 4 -3.534 1.439 -4.768 29 H ALA 5 H ALA 5 1.443 -0.871 -6.154 30 HA ALA 5 HA ALA 5 2.240 0.840 -8.272 31 HB1 ALA 5 HB1 ALA 5 3.938 -1.478 -7.990 32 HB2 ALA 5 HB2 ALA 5 4.282 0.219 -7.650 33 HB3 ALA 5 HB3 ALA 5 3.524 -0.791 -6.419 34 H LYS 6 H LYS 6 1.167 -2.509 -8.124 35 HA LYS 6 HA LYS 6 1.842 -3.249 -10.755 36 HB2 LYS 6 HB2 LYS 6 -0.456 -4.287 -9.086 37 HB3 LYS 6 HB3 LYS 6 0.297 -5.100 -10.452 38 HG2 LYS 6 HG2 LYS 6 1.853 -4.373 -7.994 39 HG3 LYS 6 HG3 LYS 6 0.936 -5.877 -8.114 40 HD2 LYS 6 HD2 LYS 6 3.022 -5.027 -10.116 41 HD3 LYS 6 HD3 LYS 6 3.364 -6.059 -8.726 42 HE2 LYS 6 HE2 LYS 6 1.365 -7.465 -9.671 43 HE3 LYS 6 HE3 LYS 6 1.757 -6.633 -11.175 44 HZ1 LYS 6 HZ1 LYS 6 2.910 -8.752 -10.991 45 HZ2 LYS 6 HZ2 LYS 6 3.654 -8.249 -9.558 46 HZ3 LYS 6 HZ3 LYS 6 4.013 -7.469 -11.015 47 H LEU 7 H LEU 7 -0.756 -1.358 -9.466 48 HA LEU 7 HA LEU 7 -2.265 -1.498 -11.961 49 HB2 LEU 7 HB2 LEU 7 -3.014 0.228 -9.641 50 HB3 LEU 7 HB3 LEU 7 -4.052 -0.550 -10.834 51 HG LEU 7 HG LEU 7 -2.555 -2.054 -8.694 52 HD11 LEU 7 HD11 LEU 7 -5.164 -2.186 -7.978 53 HD12 LEU 7 HD12 LEU 7 -5.063 -0.533 -8.583 54 HD13 LEU 7 HD13 LEU 7 -3.994 -1.063 -7.285 55 HD21 LEU 7 HD21 LEU 7 -4.557 -3.643 -9.297 56 HD22 LEU 7 HD22 LEU 7 -3.086 -3.630 -10.271 57 HD23 LEU 7 HD23 LEU 7 -4.517 -2.757 -10.822 58 H VAL 8 H VAL 8 -0.683 0.921 -9.894 59 HA VAL 8 HA VAL 8 -1.137 3.114 -11.624 60 HB VAL 8 HB VAL 8 1.048 2.771 -9.565 61 HG11 VAL 8 HG11 VAL 8 0.340 5.444 -9.724 62 HG12 VAL 8 HG12 VAL 8 1.804 4.705 -10.375 63 HG13 VAL 8 HG13 VAL 8 0.386 4.911 -11.404 64 HG21 VAL 8 HG21 VAL 8 -0.460 3.111 -7.963 65 HG22 VAL 8 HG22 VAL 8 -1.161 4.482 -8.823 66 HG23 VAL 8 HG23 VAL 8 -1.707 2.844 -9.181 67 H ALA 9 H ALA 9 1.100 0.517 -11.708 68 HA ALA 9 HA ALA 9 3.295 1.619 -13.002 69 HB1 ALA 9 HB1 ALA 9 2.166 -1.050 -12.658 70 HB2 ALA 9 HB2 ALA 9 3.087 -0.860 -14.151 71 HB3 ALA 9 HB3 ALA 9 3.844 -0.509 -12.597 72 H LYS 10 H LYS 10 0.107 0.985 -14.192 73 HA LYS 10 HA LYS 10 0.981 1.744 -16.903 74 HB2 LYS 10 HB2 LYS 10 -1.466 0.123 -16.184 75 HB3 LYS 10 HB3 LYS 10 -0.872 0.473 -17.802 76 HG2 LYS 10 HG2 LYS 10 0.752 -1.059 -15.797 77 HG3 LYS 10 HG3 LYS 10 -0.404 -1.838 -16.879 78 HD2 LYS 10 HD2 LYS 10 1.762 -0.026 -17.906 79 HD3 LYS 10 HD3 LYS 10 2.040 -1.747 -17.628 80 HE2 LYS 10 HE2 LYS 10 -0.022 -2.131 -19.087 81 HE3 LYS 10 HE3 LYS 10 0.143 -0.440 -19.557 82 HZ1 LYS 10 HZ1 LYS 10 1.496 -2.643 -20.591 83 HZ2 LYS 10 HZ2 LYS 10 2.643 -1.703 -19.778 84 HZ3 LYS 10 HZ3 LYS 10 1.700 -1.014 -21.001 85 H PHE 11 H PHE 11 -1.572 2.051 -14.474 86 HA PHE 11 HA PHE 11 -3.134 3.932 -15.894 87 HB2 PHE 11 HB2 PHE 11 -2.935 3.451 -12.913 88 HB3 PHE 11 HB3 PHE 11 -4.201 4.379 -13.711 89 HD1 PHE 11 HD1 PHE 11 -4.650 2.627 -16.089 90 HD2 PHE 11 HD2 PHE 11 -4.152 1.697 -11.965 91 HE1 PHE 11 HE1 PHE 11 -5.965 0.570 -16.398 92 HE2 PHE 11 HE2 PHE 11 -5.465 -0.362 -12.268 93 HZ PHE 11 HZ PHE 11 -6.372 -0.928 -14.486 94 H GLY 12 H GLY 12 -1.273 4.566 -12.918 95 HA2 GLY 12 HA2 GLY 12 0.526 6.279 -13.071 96 HA3 GLY 12 HA3 GLY 12 -0.596 7.211 -14.052 97 H TRP 13 H TRP 13 0.415 8.536 -12.015 98 HA TRP 13 HA TRP 13 -0.943 8.243 -9.544 99 HB2 TRP 13 HB2 TRP 13 0.111 10.899 -10.424 100 HB3 TRP 13 HB3 TRP 13 0.215 10.119 -8.848 101 HD1 TRP 13 HD1 TRP 13 2.370 11.037 -11.593 102 HE1 TRP 13 HE1 TRP 13 4.530 9.637 -11.626 103 HE3 TRP 13 HE3 TRP 13 0.956 7.288 -8.417 104 HZ2 TRP 13 HZ2 TRP 13 5.504 7.257 -10.462 105 HZ3 TRP 13 HZ3 TRP 13 2.561 5.487 -7.930 106 HH2 TRP 13 HH2 TRP 13 4.787 5.474 -8.932 107 HA PRO 14 HA PRO 14 -3.713 11.861 -11.199 108 HB2 PRO 14 HB2 PRO 14 -3.664 12.295 -13.878 109 HB3 PRO 14 HB3 PRO 14 -2.577 13.116 -12.753 110 HG2 PRO 14 HG2 PRO 14 -2.057 10.734 -14.490 111 HG3 PRO 14 HG3 PRO 14 -1.021 12.139 -14.178 112 HD2 PRO 14 HD2 PRO 14 -0.657 9.758 -12.942 113 HD3 PRO 14 HD3 PRO 14 -0.286 11.307 -12.158 114 H PHE 15 H PHE 15 -3.285 8.772 -12.517 115 HA PHE 15 HA PHE 15 -6.026 8.676 -13.564 116 HB2 PHE 15 HB2 PHE 15 -3.857 7.789 -14.797 117 HB3 PHE 15 HB3 PHE 15 -4.148 6.367 -13.801 118 HD1 PHE 15 HD1 PHE 15 -6.250 5.095 -14.050 119 HD2 PHE 15 HD2 PHE 15 -5.227 8.295 -16.663 120 HE1 PHE 15 HE1 PHE 15 -7.921 4.300 -15.672 121 HE2 PHE 15 HE2 PHE 15 -6.897 7.506 -18.288 122 HZ PHE 15 HZ PHE 15 -8.247 5.506 -17.794 123 H ILE 16 H ILE 16 -3.906 7.344 -11.121 124 HA ILE 16 HA ILE 16 -5.831 5.389 -10.225 125 HB ILE 16 HB ILE 16 -3.352 5.054 -10.047 126 HG12 ILE 16 HG12 ILE 16 -3.691 4.516 -7.383 127 HG13 ILE 16 HG13 ILE 16 -5.358 4.642 -7.934 128 HG21 ILE 16 HG21 ILE 16 -2.790 7.334 -9.327 129 HG22 ILE 16 HG22 ILE 16 -3.588 7.033 -7.785 130 HG23 ILE 16 HG23 ILE 16 -2.148 6.116 -8.226 131 HD11 ILE 16 HD11 ILE 16 -3.553 2.475 -8.207 132 HD12 ILE 16 HD12 ILE 16 -5.239 2.582 -8.713 133 HD13 ILE 16 HD13 ILE 16 -3.955 3.071 -9.817 134 H LYS 17 H LYS 17 -4.890 8.643 -9.405 135 HA LYS 17 HA LYS 17 -6.166 8.712 -6.852 136 HB2 LYS 17 HB2 LYS 17 -5.677 11.035 -6.837 137 HB3 LYS 17 HB3 LYS 17 -4.320 10.253 -7.638 138 HG2 LYS 17 HG2 LYS 17 -5.358 10.850 -9.824 139 HG3 LYS 17 HG3 LYS 17 -6.568 11.777 -8.934 140 HD2 LYS 17 HD2 LYS 17 -3.612 12.244 -8.617 141 HD3 LYS 17 HD3 LYS 17 -4.580 13.074 -9.838 142 HE2 LYS 17 HE2 LYS 17 -4.630 14.579 -8.090 143 HE3 LYS 17 HE3 LYS 17 -6.117 13.670 -7.827 144 HZ1 LYS 17 HZ1 LYS 17 -3.932 13.979 -6.093 145 HZ2 LYS 17 HZ2 LYS 17 -4.064 12.341 -6.490 146 HZ3 LYS 17 HZ3 LYS 17 -5.384 13.157 -5.818 147 H LYS 18 H LYS 18 -7.269 8.930 -10.082 148 HA LYS 18 HA LYS 18 -9.609 10.495 -9.598 149 HB2 LYS 18 HB2 LYS 18 -8.607 8.802 -11.852 150 HB3 LYS 18 HB3 LYS 18 -10.296 9.292 -11.838 151 HG2 LYS 18 HG2 LYS 18 -8.386 11.462 -11.344 152 HG3 LYS 18 HG3 LYS 18 -8.282 10.723 -12.944 153 HD2 LYS 18 HD2 LYS 18 -9.823 12.545 -13.079 154 HD3 LYS 18 HD3 LYS 18 -10.753 11.046 -13.165 155 HE2 LYS 18 HE2 LYS 18 -11.858 12.628 -11.701 156 HE3 LYS 18 HE3 LYS 18 -11.267 11.253 -10.768 157 HZ1 LYS 18 HZ1 LYS 18 -9.947 12.564 -9.573 158 HZ2 LYS 18 HZ2 LYS 18 -10.806 13.874 -10.210 159 HZ3 LYS 18 HZ3 LYS 18 -9.358 13.381 -10.932 160 H PHE 19 H PHE 19 -8.827 7.086 -9.478 161 HA PHE 19 HA PHE 19 -11.542 6.564 -8.469 162 HB2 PHE 19 HB2 PHE 19 -9.917 4.926 -10.408 163 HB3 PHE 19 HB3 PHE 19 -11.244 4.231 -9.484 164 HD1 PHE 19 HD1 PHE 19 -10.370 6.765 -12.018 165 HD2 PHE 19 HD2 PHE 19 -13.491 4.595 -10.104 166 HE1 PHE 19 HE1 PHE 19 -11.962 7.563 -13.717 167 HE2 PHE 19 HE2 PHE 19 -15.087 5.388 -11.800 168 HZ PHE 19 HZ PHE 19 -14.323 6.873 -13.610 169 H TYR 20 H TYR 20 -9.038 7.161 -7.069 170 HA TYR 20 HA TYR 20 -7.850 4.845 -6.014 171 HB2 TYR 20 HB2 TYR 20 -6.887 7.118 -5.815 172 HB3 TYR 20 HB3 TYR 20 -8.165 7.544 -4.684 173 HD1 TYR 20 HD2 TYR 20 -5.152 5.478 -5.167 174 HD2 TYR 20 HD1 TYR 20 -8.078 6.846 -2.397 175 HE1 TYR 20 HE2 TYR 20 -3.778 4.636 -3.308 176 HE2 TYR 20 HE1 TYR 20 -6.712 6.009 -0.531 177 HH TYR 20 HH TYR 20 -3.576 4.440 -1.110 178 H LYS 21 H LYS 21 -10.818 6.488 -5.258 179 HA LYS 21 HA LYS 21 -11.255 5.391 -2.688 180 HB2 LYS 21 HB2 LYS 21 -13.042 6.608 -4.772 181 HB3 LYS 21 HB3 LYS 21 -13.725 5.887 -3.321 182 HG2 LYS 21 HG2 LYS 21 -12.011 7.428 -2.096 183 HG3 LYS 21 HG3 LYS 21 -12.043 8.329 -3.614 184 HD2 LYS 21 HD2 LYS 21 -13.727 9.376 -2.451 185 HD3 LYS 21 HD3 LYS 21 -14.641 8.138 -3.316 186 HE2 LYS 21 HE2 LYS 21 -15.006 6.894 -1.424 187 HE3 LYS 21 HE3 LYS 21 -13.545 7.477 -0.629 188 HZ1 LYS 21 HZ1 LYS 21 -14.895 9.728 -0.729 189 HZ2 LYS 21 HZ2 LYS 21 -15.084 8.628 0.542 190 HZ3 LYS 21 HZ3 LYS 21 -16.210 8.663 -0.721 191 H GLN 22 H GLN 22 -11.916 4.244 -5.936 192 HA GLN 22 HA GLN 22 -13.404 1.950 -4.957 193 HB2 GLN 22 HB2 GLN 22 -13.786 3.306 -7.170 194 HB3 GLN 22 HB3 GLN 22 -12.521 2.260 -7.801 195 HG2 GLN 22 HG2 GLN 22 -14.298 0.989 -8.354 196 HG3 GLN 22 HG3 GLN 22 -14.072 0.397 -6.709 197 HE21 GLN 22 HE21 GLN 22 -15.618 3.199 -8.252 198 HE22 GLN 22 HE22 GLN 22 -17.111 3.061 -7.394 199 H ILE 23 H ILE 23 -10.352 2.583 -6.662 200 HA ILE 23 HA ILE 23 -9.459 -0.024 -6.949 201 HB ILE 23 HB ILE 23 -7.794 2.433 -6.386 202 HG12 ILE 23 HG12 ILE 23 -8.026 1.266 -9.104 203 HG13 ILE 23 HG13 ILE 23 -9.450 2.095 -8.485 204 HG21 ILE 23 HG21 ILE 23 -6.410 0.563 -5.990 205 HG22 ILE 23 HG22 ILE 23 -7.061 -0.308 -7.378 206 HG23 ILE 23 HG23 ILE 23 -6.032 1.103 -7.626 207 HD11 ILE 23 HD11 ILE 23 -6.976 3.176 -9.505 208 HD12 ILE 23 HD12 ILE 23 -8.528 3.966 -9.228 209 HD13 ILE 23 HD13 ILE 23 -7.367 3.818 -7.910 210 H MET 24 H MET 24 -8.436 2.218 -4.364 211 HA MET 24 HA MET 24 -7.130 0.337 -2.790 212 HB2 MET 24 HB2 MET 24 -7.135 2.883 -2.570 213 HB3 MET 24 HB3 MET 24 -8.627 2.695 -1.660 214 HG2 MET 24 HG2 MET 24 -6.299 1.073 -0.815 215 HG3 MET 24 HG3 MET 24 -6.248 2.806 -0.500 216 HE1 MET 24 HE1 MET 24 -6.638 3.471 1.737 217 HE2 MET 24 HE2 MET 24 -7.493 2.542 2.968 218 HE3 MET 24 HE3 MET 24 -6.046 1.878 2.208 219 H GLN 25 H GLN 25 -10.513 0.947 -3.186 220 HA GLN 25 HA GLN 25 -11.357 -0.339 -0.771 221 HB2 GLN 25 HB2 GLN 25 -12.633 0.917 -3.099 222 HB3 GLN 25 HB3 GLN 25 -13.534 -0.438 -2.431 223 HG2 GLN 25 HG2 GLN 25 -12.572 1.928 -0.840 224 HG3 GLN 25 HG3 GLN 25 -14.196 1.751 -1.503 225 HE21 GLN 25 HE21 GLN 25 -13.058 1.896 1.287 226 HE22 GLN 25 HE22 GLN 25 -13.759 0.544 2.102 227 H PHE 26 H PHE 26 -10.600 -1.361 -4.003 228 HA PHE 26 HA PHE 26 -11.930 -3.884 -3.873 229 HB2 PHE 26 HB2 PHE 26 -9.784 -2.781 -5.684 230 HB3 PHE 26 HB3 PHE 26 -10.417 -4.416 -5.852 231 HD1 PHE 26 HD2 PHE 26 -13.265 -4.050 -5.362 232 HD2 PHE 26 HD1 PHE 26 -10.531 -1.610 -7.527 233 HE1 PHE 26 HE2 PHE 26 -15.121 -3.190 -6.730 234 HE2 PHE 26 HE1 PHE 26 -12.382 -0.745 -8.898 235 HZ PHE 26 HZ PHE 26 -14.680 -1.536 -8.501 236 H ILE 27 H ILE 27 -8.753 -2.704 -3.011 237 HA ILE 27 HA ILE 27 -7.393 -5.141 -2.795 238 HB ILE 27 HB ILE 27 -7.003 -2.645 -1.139 239 HG12 ILE 27 HG12 ILE 27 -5.400 -3.489 -3.545 240 HG13 ILE 27 HG13 ILE 27 -6.855 -2.513 -3.709 241 HG21 ILE 27 HG21 ILE 27 -5.629 -5.230 -1.215 242 HG22 ILE 27 HG22 ILE 27 -4.563 -3.833 -1.356 243 HG23 ILE 27 HG23 ILE 27 -5.639 -3.985 0.033 244 HD11 ILE 27 HD11 ILE 27 -5.365 -0.832 -3.593 245 HD12 ILE 27 HD12 ILE 27 -5.565 -1.077 -1.857 246 HD13 ILE 27 HD13 ILE 27 -4.187 -1.790 -2.696 247 H GLY 28 H GLY 28 -9.162 -3.297 -0.310 248 HA2 GLY 28 HA2 GLY 28 -8.764 -5.190 1.758 249 HA3 GLY 28 HA3 GLY 28 -9.986 -3.928 1.739 250 H GLN 29 H GLN 29 -10.907 -5.149 -0.926 251 HA GLN 29 HA GLN 29 -12.892 -6.864 0.261 252 HB2 GLN 29 HB2 GLN 29 -13.645 -5.368 -1.444 253 HB3 GLN 29 HB3 GLN 29 -12.410 -5.925 -2.565 254 HG2 GLN 29 HG2 GLN 29 -14.547 -6.823 -3.196 255 HG3 GLN 29 HG3 GLN 29 -13.497 -8.126 -2.640 256 HE21 GLN 29 HE21 GLN 29 -14.978 -9.556 -1.944 257 HE22 GLN 29 HE22 GLN 29 -16.109 -9.255 -0.674 258 H GLY 30 H GLY 30 -9.952 -7.250 -1.553 259 HA2 GLY 30 HA2 GLY 30 -8.772 -9.355 -1.370 260 HA3 GLY 30 HA3 GLY 30 -10.327 -10.171 -1.409 261 H TRP 31 H TRP 31 -9.789 -7.537 -3.578 262 HA TRP 31 HA TRP 31 -10.178 -9.248 -5.845 263 HB2 TRP 31 HB2 TRP 31 -9.899 -6.314 -5.398 264 HB3 TRP 31 HB3 TRP 31 -9.593 -6.933 -7.018 265 HD1 TRP 31 HD1 TRP 31 -12.299 -8.570 -4.892 266 HE1 TRP 31 HE1 TRP 31 -14.597 -8.056 -5.932 267 HE3 TRP 31 HE3 TRP 31 -10.848 -5.177 -8.431 268 HZ2 TRP 31 HZ2 TRP 31 -15.654 -6.429 -7.982 269 HZ3 TRP 31 HZ3 TRP 31 -12.565 -4.189 -9.891 270 HH2 TRP 31 HH2 TRP 31 -14.917 -4.804 -9.670 271 H THR 32 H THR 32 -8.723 -9.952 -7.322 272 HA THR 32 HA THR 32 -5.972 -10.024 -6.583 273 HB THR 32 HB THR 32 -5.610 -11.353 -8.542 274 HG1 THR 32 HG1 THR 32 -6.700 -10.957 -10.303 275 HG21 THR 32 HG21 THR 32 -7.085 -12.228 -6.599 276 HG22 THR 32 HG22 THR 32 -7.021 -13.153 -8.099 277 HG23 THR 32 HG23 THR 32 -8.404 -12.112 -7.763 278 H ILE 33 H ILE 33 -4.205 -9.425 -8.103 279 HA ILE 33 HA ILE 33 -4.219 -6.681 -8.639 280 HB ILE 33 HB ILE 33 -2.393 -8.782 -9.811 281 HG12 ILE 33 HG12 ILE 33 -2.370 -8.829 -7.375 282 HG13 ILE 33 HG13 ILE 33 -0.869 -8.132 -7.973 283 HG21 ILE 33 HG21 ILE 33 -2.256 -6.727 -11.068 284 HG22 ILE 33 HG22 ILE 33 -2.083 -5.793 -9.583 285 HG23 ILE 33 HG23 ILE 33 -0.808 -6.905 -10.078 286 HD11 ILE 33 HD11 ILE 33 -2.652 -5.995 -7.589 287 HD12 ILE 33 HD12 ILE 33 -2.770 -7.028 -6.164 288 HD13 ILE 33 HD13 ILE 33 -1.204 -6.389 -6.663 289 H ASP 34 H ASP 34 -5.228 -9.375 -10.562 290 HA ASP 34 HA ASP 34 -5.179 -7.928 -13.060 291 HB2 ASP 34 HB2 ASP 34 -4.809 -10.300 -13.168 292 HB3 ASP 34 HB3 ASP 34 -6.299 -10.626 -12.286 293 H GLN 35 H GLN 35 -7.486 -8.676 -10.545 294 HA GLN 35 HA GLN 35 -9.878 -8.162 -11.866 295 HB2 GLN 35 HB2 GLN 35 -9.033 -7.798 -9.002 296 HB3 GLN 35 HB3 GLN 35 -10.663 -7.409 -9.534 297 HG2 GLN 35 HG2 GLN 35 -9.448 -10.097 -10.051 298 HG3 GLN 35 HG3 GLN 35 -10.240 -9.715 -8.524 299 HE21 GLN 35 HE21 GLN 35 -11.065 -11.709 -10.347 300 HE22 GLN 35 HE22 GLN 35 -12.632 -11.278 -10.931 301 H ILE 36 H ILE 36 -7.772 -5.899 -10.108 302 HA ILE 36 HA ILE 36 -9.366 -3.613 -10.688 303 HB ILE 36 HB ILE 36 -6.467 -3.770 -9.855 304 HG12 ILE 36 HG12 ILE 36 -7.756 -2.905 -7.669 305 HG13 ILE 36 HG13 ILE 36 -9.053 -3.851 -8.390 306 HG21 ILE 36 HG21 ILE 36 -6.776 -1.631 -10.783 307 HG22 ILE 36 HG22 ILE 36 -8.381 -1.467 -10.074 308 HG23 ILE 36 HG23 ILE 36 -6.952 -1.411 -9.042 309 HD11 ILE 36 HD11 ILE 36 -7.963 -5.831 -8.081 310 HD12 ILE 36 HD12 ILE 36 -6.364 -5.087 -8.125 311 HD13 ILE 36 HD13 ILE 36 -7.377 -4.919 -6.691 312 H GLU 37 H GLU 37 -6.213 -4.701 -11.955 313 HA GLU 37 HA GLU 37 -5.815 -2.737 -13.851 314 HB2 GLU 37 HB2 GLU 37 -4.959 -5.579 -13.598 315 HB3 GLU 37 HB3 GLU 37 -4.699 -4.779 -15.142 316 HG2 GLU 37 HG2 GLU 37 -3.627 -2.912 -13.678 317 HG3 GLU 37 HG3 GLU 37 -3.489 -4.199 -12.482 318 H LYS 38 H LYS 38 -7.973 -5.469 -13.935 319 HA LYS 38 HA LYS 38 -8.587 -5.062 -16.754 320 HB2 LYS 38 HB2 LYS 38 -9.533 -7.082 -14.721 321 HB3 LYS 38 HB3 LYS 38 -10.180 -6.991 -16.354 322 HG2 LYS 38 HG2 LYS 38 -7.240 -7.289 -15.872 323 HG3 LYS 38 HG3 LYS 38 -8.320 -8.686 -15.864 324 HD2 LYS 38 HD2 LYS 38 -9.072 -8.102 -18.127 325 HD3 LYS 38 HD3 LYS 38 -7.969 -6.724 -18.132 326 HE2 LYS 38 HE2 LYS 38 -6.889 -8.473 -19.317 327 HE3 LYS 38 HE3 LYS 38 -6.097 -8.358 -17.746 328 HZ1 LYS 38 HZ1 LYS 38 -8.330 -10.224 -17.997 329 HZ2 LYS 38 HZ2 LYS 38 -6.913 -10.352 -17.083 330 HZ3 LYS 38 HZ3 LYS 38 -6.875 -10.652 -18.747 331 H TRP 39 H TRP 39 -9.848 -4.317 -13.615 332 HA TRP 39 HA TRP 39 -12.534 -3.810 -14.386 333 HB2 TRP 39 HB2 TRP 39 -11.928 -4.210 -12.051 334 HB3 TRP 39 HB3 TRP 39 -10.944 -2.749 -12.041 335 HD1 TRP 39 HD1 TRP 39 -14.608 -3.886 -12.063 336 HE1 TRP 39 HE1 TRP 39 -16.078 -1.916 -11.297 337 HE3 TRP 39 HE3 TRP 39 -11.041 -0.227 -11.897 338 HZ2 TRP 39 HZ2 TRP 39 -15.767 0.825 -10.702 339 HZ3 TRP 39 HZ3 TRP 39 -11.710 2.042 -11.220 340 HH2 TRP 39 HH2 TRP 39 -14.024 2.555 -10.636 341 H LEU 40 H LEU 40 -9.685 -1.734 -13.998 342 HA LEU 40 HA LEU 40 -11.181 0.539 -15.064 343 HB2 LEU 40 HB2 LEU 40 -9.684 0.706 -13.031 344 HB3 LEU 40 HB3 LEU 40 -8.321 0.503 -14.130 345 HG LEU 40 HG LEU 40 -8.843 2.581 -15.235 346 HD11 LEU 40 HD11 LEU 40 -11.252 2.522 -15.145 347 HD12 LEU 40 HD12 LEU 40 -10.672 4.020 -14.418 348 HD13 LEU 40 HD13 LEU 40 -11.224 2.698 -13.390 349 HD21 LEU 40 HD21 LEU 40 -7.613 2.473 -12.968 350 HD22 LEU 40 HD22 LEU 40 -9.076 3.210 -12.316 351 HD23 LEU 40 HD23 LEU 40 -8.152 4.042 -13.567 352 H LYS 41 H LYS 41 -10.547 -1.695 -16.779 353 HA LYS 41 HA LYS 41 -8.601 -0.469 -18.617 354 HB2 LYS 41 HB2 LYS 41 -7.910 -2.681 -18.035 355 HB3 LYS 41 HB3 LYS 41 -9.525 -3.324 -18.301 356 HG2 LYS 41 HG2 LYS 41 -8.059 -3.954 -20.114 357 HG3 LYS 41 HG3 LYS 41 -9.308 -2.851 -20.697 358 HD2 LYS 41 HD2 LYS 41 -7.278 -2.131 -21.679 359 HD3 LYS 41 HD3 LYS 41 -7.628 -0.987 -20.382 360 HE2 LYS 41 HE2 LYS 41 -5.351 -1.454 -20.140 361 HE3 LYS 41 HE3 LYS 41 -6.132 -2.466 -18.926 362 HZ1 LYS 41 HZ1 LYS 41 -4.550 -3.234 -21.170 363 HZ2 LYS 41 HZ2 LYS 41 -6.050 -4.016 -21.181 364 HZ3 LYS 41 HZ3 LYS 41 -5.035 -4.152 -19.834 365 H ARG 42 H ARG 42 -11.806 -1.944 -18.413 366 HA ARG 42 HA ARG 42 -12.387 -1.082 -21.151 367 HB2 ARG 42 HB2 ARG 42 -14.378 -2.475 -20.990 368 HB3 ARG 42 HB3 ARG 42 -12.950 -3.398 -20.542 369 HG2 ARG 42 HG2 ARG 42 -13.649 -2.618 -18.115 370 HG3 ARG 42 HG3 ARG 42 -15.236 -2.506 -18.878 371 HD2 ARG 42 HD2 ARG 42 -13.448 -4.934 -18.798 372 HD3 ARG 42 HD3 ARG 42 -14.929 -4.695 -17.872 373 HE ARG 42 HE ARG 42 -14.718 -5.506 -20.613 374 HH11 ARG 42 HH11 ARG 42 -16.738 -3.913 -18.268 375 HH12 ARG 42 HH12 ARG 42 -18.211 -4.249 -19.115 376 HH21 ARG 42 HH21 ARG 42 -16.650 -5.955 -21.738 377 HH22 ARG 42 HH22 ARG 42 -18.160 -5.412 -21.089 378 H HIS 43 H HIS 43 -12.097 0.904 -19.132 379 HA HIS 43 HA HIS 43 -14.531 1.758 -18.026 380 HB2 HIS 43 HB2 HIS 43 -13.449 3.919 -17.727 381 HB3 HIS 43 HB3 HIS 43 -12.324 2.624 -17.329 382 HD1 HIS 43 HD1 HIS 43 -12.975 5.279 -19.898 383 HD2 HIS 43 HD2 HIS 43 -10.070 2.464 -18.950 384 HE1 HIS 43 HE1 HIS 43 -10.991 5.851 -21.333 Start of MODEL 16 1 HCN FME 1 HF FME 1 -3.438 2.878 -0.025 2 HA FME 1 HA FME 1 -0.534 0.729 -0.160 3 HB2 FME 1 HB2 FME 1 -0.729 0.382 2.863 4 HB3 FME 1 HB3 FME 1 -0.484 1.973 2.061 5 HG2 FME 1 HG2 FME 1 1.532 0.844 0.801 6 HG3 FME 1 HG3 FME 1 1.396 -0.478 2.015 7 HE1 FME 1 HE8 FME 1 2.510 2.746 0.949 8 HE2 FME 1 HE2 FME 1 4.010 2.002 1.640 9 HE3 FME 1 HE3 FME 1 3.362 3.556 2.326 10 H GLY 2 H GLY 2 -0.249 -0.962 -1.175 11 HA2 GLY 2 HA2 GLY 2 0.007 -3.487 -0.192 12 HA3 GLY 2 HA3 GLY 2 -1.698 -3.385 -0.608 13 H ALA 3 H ALA 3 -2.140 -2.578 -2.878 14 HA ALA 3 HA ALA 3 -0.116 -3.663 -4.727 15 HB1 ALA 3 HB1 ALA 3 -3.057 -3.768 -5.296 16 HB2 ALA 3 HB2 ALA 3 -1.751 -4.713 -6.014 17 HB3 ALA 3 HB3 ALA 3 -2.260 -5.028 -4.355 18 H ILE 4 H ILE 4 -0.060 -0.998 -4.070 19 HA ILE 4 HA ILE 4 -1.449 0.423 -6.217 20 HB ILE 4 HB ILE 4 0.321 1.719 -4.166 21 HG12 ILE 4 HG12 ILE 4 -1.238 0.334 -2.907 22 HG13 ILE 4 HG13 ILE 4 -1.687 2.029 -2.755 23 HG21 ILE 4 HG21 ILE 4 -1.467 2.587 -6.264 24 HG22 ILE 4 HG22 ILE 4 -1.911 3.282 -4.706 25 HG23 ILE 4 HG23 ILE 4 -0.282 3.510 -5.341 26 HD11 ILE 4 HD11 ILE 4 -3.016 -0.090 -4.411 27 HD12 ILE 4 HD12 ILE 4 -3.685 0.817 -3.054 28 HD13 ILE 4 HD13 ILE 4 -3.362 1.630 -4.586 29 H ALA 5 H ALA 5 0.794 -1.399 -6.740 30 HA ALA 5 HA ALA 5 2.636 0.543 -7.976 31 HB1 ALA 5 HB1 ALA 5 3.808 -2.078 -7.529 32 HB2 ALA 5 HB2 ALA 5 4.432 -0.476 -7.135 33 HB3 ALA 5 HB3 ALA 5 3.321 -1.286 -6.030 34 H LYS 6 H LYS 6 1.011 -2.570 -8.219 35 HA LYS 6 HA LYS 6 1.957 -3.095 -10.882 36 HB2 LYS 6 HB2 LYS 6 -0.391 -4.404 -9.516 37 HB3 LYS 6 HB3 LYS 6 0.606 -5.057 -10.809 38 HG2 LYS 6 HG2 LYS 6 1.600 -4.476 -8.028 39 HG3 LYS 6 HG3 LYS 6 1.051 -6.058 -8.588 40 HD2 LYS 6 HD2 LYS 6 2.788 -5.849 -10.426 41 HD3 LYS 6 HD3 LYS 6 3.429 -4.470 -9.530 42 HE2 LYS 6 HE2 LYS 6 4.692 -6.394 -8.901 43 HE3 LYS 6 HE3 LYS 6 3.652 -5.970 -7.543 44 HZ1 LYS 6 HZ1 LYS 6 3.852 -8.428 -8.427 45 HZ2 LYS 6 HZ2 LYS 6 2.629 -7.909 -9.474 46 HZ3 LYS 6 HZ3 LYS 6 2.399 -7.827 -7.800 47 H LEU 7 H LEU 7 -0.900 -1.681 -9.422 48 HA LEU 7 HA LEU 7 -2.356 -1.567 -11.909 49 HB2 LEU 7 HB2 LEU 7 -3.027 0.013 -9.455 50 HB3 LEU 7 HB3 LEU 7 -4.109 -0.622 -10.693 51 HG LEU 7 HG LEU 7 -2.616 -2.380 -8.756 52 HD11 LEU 7 HD11 LEU 7 -5.506 -1.888 -8.398 53 HD12 LEU 7 HD12 LEU 7 -4.417 -0.592 -7.905 54 HD13 LEU 7 HD13 LEU 7 -4.247 -2.201 -7.203 55 HD21 LEU 7 HD21 LEU 7 -4.819 -3.730 -9.451 56 HD22 LEU 7 HD22 LEU 7 -3.304 -3.835 -10.348 57 HD23 LEU 7 HD23 LEU 7 -4.595 -2.776 -10.917 58 H VAL 8 H VAL 8 -0.662 0.734 -9.808 59 HA VAL 8 HA VAL 8 -1.202 3.023 -11.389 60 HB VAL 8 HB VAL 8 1.043 2.534 -9.427 61 HG11 VAL 8 HG11 VAL 8 0.423 4.780 -11.169 62 HG12 VAL 8 HG12 VAL 8 0.512 5.236 -9.467 63 HG13 VAL 8 HG13 VAL 8 1.882 4.438 -10.240 64 HG21 VAL 8 HG21 VAL 8 -0.320 3.280 -7.747 65 HG22 VAL 8 HG22 VAL 8 -1.335 4.224 -8.837 66 HG23 VAL 8 HG23 VAL 8 -1.509 2.470 -8.767 67 H ALA 9 H ALA 9 1.127 0.477 -11.618 68 HA ALA 9 HA ALA 9 3.173 1.702 -13.053 69 HB1 ALA 9 HB1 ALA 9 2.215 -1.052 -12.672 70 HB2 ALA 9 HB2 ALA 9 3.164 -0.776 -14.133 71 HB3 ALA 9 HB3 ALA 9 3.845 -0.386 -12.554 72 H LYS 10 H LYS 10 -0.035 0.869 -14.022 73 HA LYS 10 HA LYS 10 0.633 1.500 -16.821 74 HB2 LYS 10 HB2 LYS 10 -1.827 0.037 -15.866 75 HB3 LYS 10 HB3 LYS 10 -1.242 0.189 -17.518 76 HG2 LYS 10 HG2 LYS 10 0.122 -1.324 -15.299 77 HG3 LYS 10 HG3 LYS 10 -0.814 -2.032 -16.618 78 HD2 LYS 10 HD2 LYS 10 0.806 -0.910 -18.201 79 HD3 LYS 10 HD3 LYS 10 1.800 -0.544 -16.789 80 HE2 LYS 10 HE2 LYS 10 2.214 -2.811 -16.357 81 HE3 LYS 10 HE3 LYS 10 0.887 -3.340 -17.390 82 HZ1 LYS 10 HZ1 LYS 10 3.016 -3.714 -18.451 83 HZ2 LYS 10 HZ2 LYS 10 3.410 -2.074 -18.316 84 HZ3 LYS 10 HZ3 LYS 10 2.133 -2.558 -19.315 85 H PHE 11 H PHE 11 -1.540 2.151 -14.141 86 HA PHE 11 HA PHE 11 -3.162 4.006 -15.621 87 HB2 PHE 11 HB2 PHE 11 -2.958 3.469 -12.651 88 HB3 PHE 11 HB3 PHE 11 -4.158 4.517 -13.400 89 HD1 PHE 11 HD2 PHE 11 -4.858 2.928 -15.792 90 HD2 PHE 11 HD1 PHE 11 -4.218 1.736 -11.756 91 HE1 PHE 11 HE2 PHE 11 -6.336 0.990 -16.133 92 HE2 PHE 11 HE1 PHE 11 -5.694 -0.204 -12.091 93 HZ PHE 11 HZ PHE 11 -6.756 -0.578 -14.281 94 H GLY 12 H GLY 12 -1.146 4.501 -12.716 95 HA2 GLY 12 HA2 GLY 12 0.694 6.150 -12.895 96 HA3 GLY 12 HA3 GLY 12 -0.418 7.143 -13.826 97 H TRP 13 H TRP 13 0.724 8.386 -11.800 98 HA TRP 13 HA TRP 13 -0.582 8.120 -9.296 99 HB2 TRP 13 HB2 TRP 13 0.594 10.730 -10.153 100 HB3 TRP 13 HB3 TRP 13 0.701 9.910 -8.598 101 HD1 TRP 13 HD1 TRP 13 2.824 10.774 -11.383 102 HE1 TRP 13 HE1 TRP 13 4.901 9.260 -11.512 103 HE3 TRP 13 HE3 TRP 13 1.296 7.031 -8.254 104 HZ2 TRP 13 HZ2 TRP 13 5.776 6.803 -10.432 105 HZ3 TRP 13 HZ3 TRP 13 2.812 5.135 -7.855 106 HH2 TRP 13 HH2 TRP 13 5.005 5.024 -8.923 107 HA PRO 14 HA PRO 14 -3.184 11.918 -10.813 108 HB2 PRO 14 HB2 PRO 14 -3.174 12.404 -13.484 109 HB3 PRO 14 HB3 PRO 14 -2.016 13.141 -12.369 110 HG2 PRO 14 HG2 PRO 14 -1.672 10.771 -14.165 111 HG3 PRO 14 HG3 PRO 14 -0.551 12.109 -13.851 112 HD2 PRO 14 HD2 PRO 14 -0.293 9.686 -12.671 113 HD3 PRO 14 HD3 PRO 14 0.183 11.195 -11.867 114 H PHE 15 H PHE 15 -2.956 8.842 -12.222 115 HA PHE 15 HA PHE 15 -5.716 8.919 -13.211 116 HB2 PHE 15 HB2 PHE 15 -3.617 7.914 -14.479 117 HB3 PHE 15 HB3 PHE 15 -3.990 6.501 -13.498 118 HD1 PHE 15 HD2 PHE 15 -6.155 5.354 -13.754 119 HD2 PHE 15 HD1 PHE 15 -4.988 8.550 -16.311 120 HE1 PHE 15 HE2 PHE 15 -7.889 4.691 -15.368 121 HE2 PHE 15 HE1 PHE 15 -6.722 7.893 -17.929 122 HZ PHE 15 HZ PHE 15 -8.174 5.960 -17.459 123 H ILE 16 H ILE 16 -3.595 7.110 -11.025 124 HA ILE 16 HA ILE 16 -5.566 5.321 -10.081 125 HB ILE 16 HB ILE 16 -3.090 5.022 -9.815 126 HG12 ILE 16 HG12 ILE 16 -3.379 4.295 -7.288 127 HG13 ILE 16 HG13 ILE 16 -5.066 4.695 -7.596 128 HG21 ILE 16 HG21 ILE 16 -2.572 7.294 -9.065 129 HG22 ILE 16 HG22 ILE 16 -3.445 6.995 -7.563 130 HG23 ILE 16 HG23 ILE 16 -1.979 6.085 -7.927 131 HD11 ILE 16 HD11 ILE 16 -3.486 2.410 -8.474 132 HD12 ILE 16 HD12 ILE 16 -5.231 2.584 -8.283 133 HD13 ILE 16 HD13 ILE 16 -4.443 3.152 -9.755 134 H LYS 17 H LYS 17 -4.695 8.580 -9.201 135 HA LYS 17 HA LYS 17 -6.085 8.606 -6.702 136 HB2 LYS 17 HB2 LYS 17 -5.597 10.927 -6.626 137 HB3 LYS 17 HB3 LYS 17 -4.203 10.159 -7.374 138 HG2 LYS 17 HG2 LYS 17 -5.087 10.807 -9.590 139 HG3 LYS 17 HG3 LYS 17 -6.399 11.666 -8.779 140 HD2 LYS 17 HD2 LYS 17 -3.494 12.237 -8.236 141 HD3 LYS 17 HD3 LYS 17 -4.411 13.067 -9.495 142 HE2 LYS 17 HE2 LYS 17 -6.043 13.773 -7.763 143 HE3 LYS 17 HE3 LYS 17 -5.006 13.043 -6.538 144 HZ1 LYS 17 HZ1 LYS 17 -3.394 14.707 -8.060 145 HZ2 LYS 17 HZ2 LYS 17 -3.897 14.942 -6.463 146 HZ3 LYS 17 HZ3 LYS 17 -4.801 15.590 -7.737 147 H LYS 18 H LYS 18 -7.031 8.865 -9.977 148 HA LYS 18 HA LYS 18 -9.418 10.398 -9.537 149 HB2 LYS 18 HB2 LYS 18 -8.400 8.766 -11.858 150 HB3 LYS 18 HB3 LYS 18 -9.979 9.541 -11.878 151 HG2 LYS 18 HG2 LYS 18 -8.979 11.713 -11.673 152 HG3 LYS 18 HG3 LYS 18 -7.379 10.999 -11.454 153 HD2 LYS 18 HD2 LYS 18 -7.237 10.333 -13.680 154 HD3 LYS 18 HD3 LYS 18 -8.984 10.426 -13.919 155 HE2 LYS 18 HE2 LYS 18 -8.882 12.859 -13.765 156 HE3 LYS 18 HE3 LYS 18 -7.142 12.777 -13.489 157 HZ1 LYS 18 HZ1 LYS 18 -8.029 13.239 -15.851 158 HZ2 LYS 18 HZ2 LYS 18 -8.303 11.571 -15.911 159 HZ3 LYS 18 HZ3 LYS 18 -6.739 12.162 -15.657 160 H PHE 19 H PHE 19 -8.532 7.050 -9.397 161 HA PHE 19 HA PHE 19 -11.314 6.385 -8.719 162 HB2 PHE 19 HB2 PHE 19 -9.466 4.972 -10.613 163 HB3 PHE 19 HB3 PHE 19 -10.694 4.061 -9.740 164 HD1 PHE 19 HD1 PHE 19 -10.227 6.948 -12.022 165 HD2 PHE 19 HD2 PHE 19 -12.891 3.993 -10.509 166 HE1 PHE 19 HE1 PHE 19 -11.896 7.593 -13.710 167 HE2 PHE 19 HE2 PHE 19 -14.564 4.633 -12.195 168 HZ PHE 19 HZ PHE 19 -14.067 6.434 -13.799 169 H TYR 20 H TYR 20 -8.930 7.020 -7.096 170 HA TYR 20 HA TYR 20 -7.838 4.676 -5.973 171 HB2 TYR 20 HB2 TYR 20 -6.888 6.981 -5.736 172 HB3 TYR 20 HB3 TYR 20 -8.190 7.352 -4.611 173 HD1 TYR 20 HD1 TYR 20 -5.189 5.257 -5.130 174 HD2 TYR 20 HD2 TYR 20 -8.095 6.638 -2.345 175 HE1 TYR 20 HE1 TYR 20 -3.839 4.356 -3.282 176 HE2 TYR 20 HE2 TYR 20 -6.752 5.742 -0.490 177 HH TYR 20 HH TYR 20 -4.115 5.216 -0.213 178 H LYS 21 H LYS 21 -10.849 6.304 -5.508 179 HA LYS 21 HA LYS 21 -11.488 5.300 -2.937 180 HB2 LYS 21 HB2 LYS 21 -12.609 7.226 -4.148 181 HB3 LYS 21 HB3 LYS 21 -13.459 6.021 -5.106 182 HG2 LYS 21 HG2 LYS 21 -14.720 5.291 -3.312 183 HG3 LYS 21 HG3 LYS 21 -13.579 5.921 -2.123 184 HD2 LYS 21 HD2 LYS 21 -15.316 7.442 -1.982 185 HD3 LYS 21 HD3 LYS 21 -14.224 8.235 -3.120 186 HE2 LYS 21 HE2 LYS 21 -15.653 6.908 -4.890 187 HE3 LYS 21 HE3 LYS 21 -16.855 6.922 -3.601 188 HZ1 LYS 21 HZ1 LYS 21 -15.607 9.254 -4.936 189 HZ2 LYS 21 HZ2 LYS 21 -16.501 9.387 -3.506 190 HZ3 LYS 21 HZ3 LYS 21 -17.242 8.822 -4.918 191 H GLN 22 H GLN 22 -11.839 4.027 -6.182 192 HA GLN 22 HA GLN 22 -13.389 1.750 -5.247 193 HB2 GLN 22 HB2 GLN 22 -12.437 2.622 -7.971 194 HB3 GLN 22 HB3 GLN 22 -13.218 1.070 -7.697 195 HG2 GLN 22 HG2 GLN 22 -14.386 3.810 -7.312 196 HG3 GLN 22 HG3 GLN 22 -14.869 2.580 -8.478 197 HE21 GLN 22 HE21 GLN 22 -16.208 4.040 -6.162 198 HE22 GLN 22 HE22 GLN 22 -16.975 2.775 -5.271 199 H ILE 23 H ILE 23 -10.291 2.280 -6.929 200 HA ILE 23 HA ILE 23 -9.358 -0.315 -6.958 201 HB ILE 23 HB ILE 23 -7.724 2.190 -6.536 202 HG12 ILE 23 HG12 ILE 23 -7.835 0.860 -9.172 203 HG13 ILE 23 HG13 ILE 23 -9.327 1.637 -8.658 204 HG21 ILE 23 HG21 ILE 23 -6.410 0.268 -5.959 205 HG22 ILE 23 HG22 ILE 23 -6.923 -0.576 -7.419 206 HG23 ILE 23 HG23 ILE 23 -5.889 0.847 -7.541 207 HD11 ILE 23 HD11 ILE 23 -6.789 2.807 -9.522 208 HD12 ILE 23 HD12 ILE 23 -8.430 3.449 -9.608 209 HD13 ILE 23 HD13 ILE 23 -7.513 3.571 -8.107 210 H MET 24 H MET 24 -8.626 2.141 -4.472 211 HA MET 24 HA MET 24 -7.239 0.469 -2.730 212 HB2 MET 24 HB2 MET 24 -7.297 2.935 -2.555 213 HB3 MET 24 HB3 MET 24 -8.967 2.844 -2.010 214 HG2 MET 24 HG2 MET 24 -7.561 3.157 -0.110 215 HG3 MET 24 HG3 MET 24 -8.210 1.520 -0.062 216 HE1 MET 24 HE1 MET 24 -5.546 1.597 1.887 217 HE2 MET 24 HE2 MET 24 -6.883 0.538 1.438 218 HE3 MET 24 HE3 MET 24 -5.218 -0.007 1.229 219 H GLN 25 H GLN 25 -10.627 0.731 -3.353 220 HA GLN 25 HA GLN 25 -11.437 -0.570 -0.908 221 HB2 GLN 25 HB2 GLN 25 -12.792 0.564 -3.288 222 HB3 GLN 25 HB3 GLN 25 -13.632 -0.739 -2.457 223 HG2 GLN 25 HG2 GLN 25 -12.596 1.691 -1.030 224 HG3 GLN 25 HG3 GLN 25 -14.205 1.614 -1.748 225 HE21 GLN 25 HE21 GLN 25 -14.067 2.104 0.867 226 HE22 GLN 25 HE22 GLN 25 -14.550 0.725 1.789 227 H PHE 26 H PHE 26 -10.670 -1.482 -4.181 228 HA PHE 26 HA PHE 26 -11.837 -4.091 -4.043 229 HB2 PHE 26 HB2 PHE 26 -9.835 -2.854 -5.937 230 HB3 PHE 26 HB3 PHE 26 -10.453 -4.493 -6.118 231 HD1 PHE 26 HD1 PHE 26 -13.270 -4.220 -5.496 232 HD2 PHE 26 HD2 PHE 26 -10.705 -1.610 -7.671 233 HE1 PHE 26 HE1 PHE 26 -15.210 -3.352 -6.736 234 HE2 PHE 26 HE2 PHE 26 -12.640 -0.738 -8.913 235 HZ PHE 26 HZ PHE 26 -14.897 -1.608 -8.446 236 H ILE 27 H ILE 27 -8.703 -2.708 -3.335 237 HA ILE 27 HA ILE 27 -7.157 -5.030 -3.244 238 HB ILE 27 HB ILE 27 -6.894 -2.564 -1.519 239 HG12 ILE 27 HG12 ILE 27 -5.307 -3.196 -3.995 240 HG13 ILE 27 HG13 ILE 27 -6.858 -2.370 -4.100 241 HG21 ILE 27 HG21 ILE 27 -5.473 -5.039 -1.496 242 HG22 ILE 27 HG22 ILE 27 -4.395 -3.757 -2.048 243 HG23 ILE 27 HG23 ILE 27 -5.223 -3.606 -0.498 244 HD11 ILE 27 HD11 ILE 27 -5.538 -0.551 -3.987 245 HD12 ILE 27 HD12 ILE 27 -5.675 -0.844 -2.253 246 HD13 ILE 27 HD13 ILE 27 -4.251 -1.400 -3.132 247 H GLY 28 H GLY 28 -8.387 -3.304 -0.370 248 HA2 GLY 28 HA2 GLY 28 -7.944 -5.325 1.468 249 HA3 GLY 28 HA3 GLY 28 -9.183 -4.090 1.635 250 H GLN 29 H GLN 29 -10.538 -5.008 -0.841 251 HA GLN 29 HA GLN 29 -12.365 -6.792 0.355 252 HB2 GLN 29 HB2 GLN 29 -13.142 -5.329 -1.369 253 HB3 GLN 29 HB3 GLN 29 -11.957 -5.948 -2.512 254 HG2 GLN 29 HG2 GLN 29 -13.181 -7.780 -3.008 255 HG3 GLN 29 HG3 GLN 29 -13.850 -7.910 -1.382 256 HE21 GLN 29 HE21 GLN 29 -13.879 -5.328 -3.813 257 HE22 GLN 29 HE22 GLN 29 -15.598 -5.157 -3.861 258 H GLY 30 H GLY 30 -9.531 -7.275 -1.625 259 HA2 GLY 30 HA2 GLY 30 -8.340 -9.367 -1.456 260 HA3 GLY 30 HA3 GLY 30 -9.889 -10.182 -1.294 261 H TRP 31 H TRP 31 -9.250 -7.677 -3.662 262 HA TRP 31 HA TRP 31 -9.953 -9.524 -5.783 263 HB2 TRP 31 HB2 TRP 31 -9.698 -6.571 -5.515 264 HB3 TRP 31 HB3 TRP 31 -9.465 -7.260 -7.120 265 HD1 TRP 31 HD1 TRP 31 -12.003 -8.924 -4.839 266 HE1 TRP 31 HE1 TRP 31 -14.369 -8.477 -5.748 267 HE3 TRP 31 HE3 TRP 31 -10.851 -5.495 -8.451 268 HZ2 TRP 31 HZ2 TRP 31 -15.586 -6.883 -7.735 269 HZ3 TRP 31 HZ3 TRP 31 -12.674 -4.558 -9.813 270 HH2 TRP 31 HH2 TRP 31 -14.991 -5.239 -9.461 271 H THR 32 H THR 32 -8.673 -9.763 -7.718 272 HA THR 32 HA THR 32 -5.865 -10.076 -7.100 273 HB THR 32 HB THR 32 -5.694 -11.178 -9.282 274 HG1 THR 32 HG1 THR 32 -7.395 -11.218 -10.682 275 HG21 THR 32 HG21 THR 32 -7.303 -12.026 -7.100 276 HG22 THR 32 HG22 THR 32 -6.397 -13.018 -8.243 277 HG23 THR 32 HG23 THR 32 -8.071 -12.582 -8.586 278 H ILE 33 H ILE 33 -4.156 -9.276 -8.464 279 HA ILE 33 HA ILE 33 -4.274 -6.532 -8.949 280 HB ILE 33 HB ILE 33 -2.350 -8.499 -10.193 281 HG12 ILE 33 HG12 ILE 33 -1.055 -7.258 -8.100 282 HG13 ILE 33 HG13 ILE 33 -2.675 -7.502 -7.457 283 HG21 ILE 33 HG21 ILE 33 -2.298 -6.322 -11.268 284 HG22 ILE 33 HG22 ILE 33 -2.119 -5.534 -9.701 285 HG23 ILE 33 HG23 ILE 33 -0.834 -6.573 -10.317 286 HD11 ILE 33 HD11 ILE 33 -0.607 -9.343 -7.527 287 HD12 ILE 33 HD12 ILE 33 -2.300 -9.660 -7.144 288 HD13 ILE 33 HD13 ILE 33 -1.716 -9.867 -8.795 289 H ASP 34 H ASP 34 -5.179 -9.203 -10.943 290 HA ASP 34 HA ASP 34 -5.174 -7.655 -13.394 291 HB2 ASP 34 HB2 ASP 34 -6.241 -10.435 -12.856 292 HB3 ASP 34 HB3 ASP 34 -6.033 -9.696 -14.441 293 H GLN 35 H GLN 35 -7.399 -8.583 -10.896 294 HA GLN 35 HA GLN 35 -9.828 -8.241 -12.246 295 HB2 GLN 35 HB2 GLN 35 -8.935 -8.414 -9.467 296 HB3 GLN 35 HB3 GLN 35 -10.353 -7.395 -9.673 297 HG2 GLN 35 HG2 GLN 35 -10.134 -10.208 -10.712 298 HG3 GLN 35 HG3 GLN 35 -10.852 -9.774 -9.162 299 HE21 GLN 35 HE21 GLN 35 -11.781 -10.836 -11.930 300 HE22 GLN 35 HE22 GLN 35 -13.220 -9.925 -12.221 301 H ILE 36 H ILE 36 -7.852 -5.915 -10.434 302 HA ILE 36 HA ILE 36 -9.628 -3.726 -10.879 303 HB ILE 36 HB ILE 36 -6.719 -3.721 -10.063 304 HG12 ILE 36 HG12 ILE 36 -8.026 -3.035 -7.838 305 HG13 ILE 36 HG13 ILE 36 -9.296 -3.993 -8.592 306 HG21 ILE 36 HG21 ILE 36 -6.807 -1.527 -10.432 307 HG22 ILE 36 HG22 ILE 36 -8.542 -1.578 -10.739 308 HG23 ILE 36 HG23 ILE 36 -7.943 -1.432 -9.087 309 HD11 ILE 36 HD11 ILE 36 -8.122 -5.944 -8.401 310 HD12 ILE 36 HD12 ILE 36 -6.556 -5.132 -8.398 311 HD13 ILE 36 HD13 ILE 36 -7.577 -5.085 -6.961 312 H GLU 37 H GLU 37 -6.425 -4.543 -12.220 313 HA GLU 37 HA GLU 37 -6.168 -2.471 -14.021 314 HB2 GLU 37 HB2 GLU 37 -5.127 -5.251 -13.883 315 HB3 GLU 37 HB3 GLU 37 -4.972 -4.413 -15.421 316 HG2 GLU 37 HG2 GLU 37 -4.101 -3.012 -12.951 317 HG3 GLU 37 HG3 GLU 37 -3.086 -4.300 -13.598 318 H LYS 38 H LYS 38 -8.145 -5.335 -14.232 319 HA LYS 38 HA LYS 38 -8.836 -4.796 -17.014 320 HB2 LYS 38 HB2 LYS 38 -9.536 -7.023 -15.106 321 HB3 LYS 38 HB3 LYS 38 -10.293 -6.866 -16.685 322 HG2 LYS 38 HG2 LYS 38 -7.317 -7.048 -16.304 323 HG3 LYS 38 HG3 LYS 38 -8.353 -8.456 -16.548 324 HD2 LYS 38 HD2 LYS 38 -8.503 -6.169 -18.463 325 HD3 LYS 38 HD3 LYS 38 -7.167 -7.316 -18.584 326 HE2 LYS 38 HE2 LYS 38 -8.626 -9.124 -18.986 327 HE3 LYS 38 HE3 LYS 38 -10.037 -8.202 -18.471 328 HZ1 LYS 38 HZ1 LYS 38 -9.869 -8.453 -20.900 329 HZ2 LYS 38 HZ2 LYS 38 -8.418 -7.584 -20.881 330 HZ3 LYS 38 HZ3 LYS 38 -9.860 -6.833 -20.413 331 H TRP 39 H TRP 39 -10.076 -4.336 -13.819 332 HA TRP 39 HA TRP 39 -12.812 -3.979 -14.543 333 HB2 TRP 39 HB2 TRP 39 -12.287 -4.554 -12.267 334 HB3 TRP 39 HB3 TRP 39 -11.242 -3.147 -12.099 335 HD1 TRP 39 HD1 TRP 39 -14.904 -4.183 -12.030 336 HE1 TRP 39 HE1 TRP 39 -16.310 -2.220 -11.138 337 HE3 TRP 39 HE3 TRP 39 -11.298 -0.560 -11.978 338 HZ2 TRP 39 HZ2 TRP 39 -15.940 0.504 -10.499 339 HZ3 TRP 39 HZ3 TRP 39 -11.906 1.699 -11.213 340 HH2 TRP 39 HH2 TRP 39 -14.180 2.217 -10.490 341 H LEU 40 H LEU 40 -10.108 -1.763 -13.946 342 HA LEU 40 HA LEU 40 -11.670 0.583 -14.462 343 HB2 LEU 40 HB2 LEU 40 -9.785 0.743 -12.990 344 HB3 LEU 40 HB3 LEU 40 -8.702 0.125 -14.235 345 HG LEU 40 HG LEU 40 -8.890 2.160 -15.493 346 HD11 LEU 40 HD11 LEU 40 -11.251 2.621 -15.066 347 HD12 LEU 40 HD12 LEU 40 -10.249 4.037 -14.747 348 HD13 LEU 40 HD13 LEU 40 -10.864 3.072 -13.405 349 HD21 LEU 40 HD21 LEU 40 -7.752 1.969 -12.956 350 HD22 LEU 40 HD22 LEU 40 -8.562 3.536 -12.979 351 HD23 LEU 40 HD23 LEU 40 -7.363 3.145 -14.213 352 H LYS 41 H LYS 41 -9.254 -1.277 -16.274 353 HA LYS 41 HA LYS 41 -9.005 0.312 -18.518 354 HB2 LYS 41 HB2 LYS 41 -8.755 -2.610 -17.999 355 HB3 LYS 41 HB3 LYS 41 -8.801 -2.081 -19.676 356 HG2 LYS 41 HG2 LYS 41 -6.895 -0.921 -17.665 357 HG3 LYS 41 HG3 LYS 41 -6.516 -2.346 -18.637 358 HD2 LYS 41 HD2 LYS 41 -7.459 0.188 -19.931 359 HD3 LYS 41 HD3 LYS 41 -5.765 -0.020 -19.481 360 HE2 LYS 41 HE2 LYS 41 -7.246 -2.041 -21.141 361 HE3 LYS 41 HE3 LYS 41 -6.431 -0.654 -21.860 362 HZ1 LYS 41 HZ1 LYS 41 -4.533 -1.758 -21.758 363 HZ2 LYS 41 HZ2 LYS 41 -5.316 -3.093 -21.076 364 HZ3 LYS 41 HZ3 LYS 41 -4.663 -1.894 -20.077 365 H ARG 42 H ARG 42 -11.562 -1.954 -17.679 366 HA ARG 42 HA ARG 42 -12.876 -1.704 -20.233 367 HB2 ARG 42 HB2 ARG 42 -13.032 -3.786 -18.945 368 HB3 ARG 42 HB3 ARG 42 -13.833 -2.925 -17.638 369 HG2 ARG 42 HG2 ARG 42 -15.780 -2.591 -18.905 370 HG3 ARG 42 HG3 ARG 42 -14.968 -3.019 -20.412 371 HD2 ARG 42 HD2 ARG 42 -16.381 -4.845 -19.724 372 HD3 ARG 42 HD3 ARG 42 -14.691 -5.324 -19.563 373 HE ARG 42 HE ARG 42 -15.008 -5.537 -17.309 374 HH11 ARG 42 HH11 ARG 42 -17.621 -3.668 -18.649 375 HH12 ARG 42 HH12 ARG 42 -18.533 -3.644 -17.176 376 HH21 ARG 42 HH21 ARG 42 -16.198 -5.512 -15.363 377 HH22 ARG 42 HH22 ARG 42 -17.722 -4.693 -15.307 378 H HIS 43 H HIS 43 -13.023 -0.165 -17.121 379 HA HIS 43 HA HIS 43 -15.418 1.330 -17.941 380 HB2 HIS 43 HB2 HIS 43 -14.247 0.619 -15.283 381 HB3 HIS 43 HB3 HIS 43 -15.219 2.081 -15.419 382 HD1 HIS 43 HD1 HIS 43 -17.749 1.778 -15.923 383 HD2 HIS 43 HD2 HIS 43 -15.660 -1.779 -15.429 384 HE1 HIS 43 HE1 HIS 43 -19.505 -0.001 -15.653 Start of MODEL 17 1 HCN FME 1 HF FME 1 0.405 2.098 1.004 2 HA FME 1 HA FME 1 1.103 1.257 -2.468 3 HB2 FME 1 HB2 FME 1 3.908 2.359 -2.147 4 HB3 FME 1 HB3 FME 1 2.473 3.338 -1.683 5 HG2 FME 1 HG2 FME 1 1.496 2.952 -4.011 6 HG3 FME 1 HG3 FME 1 3.019 2.114 -4.481 7 HE1 FME 1 HE8 FME 1 5.140 2.842 -4.227 8 HE2 FME 1 HE2 FME 1 5.815 4.519 -4.122 9 HE3 FME 1 HE3 FME 1 5.134 3.905 -5.692 10 H GLY 2 H GLY 2 1.183 -1.091 -1.425 11 HA2 GLY 2 HA2 GLY 2 3.471 -2.411 -2.745 12 HA3 GLY 2 HA3 GLY 2 2.548 -3.113 -1.424 13 H ALA 3 H ALA 3 0.055 -3.143 -2.016 14 HA ALA 3 HA ALA 3 -0.164 -4.931 -4.235 15 HB1 ALA 3 HB1 ALA 3 -2.254 -3.745 -2.416 16 HB2 ALA 3 HB2 ALA 3 -2.575 -4.978 -3.636 17 HB3 ALA 3 HB3 ALA 3 -1.500 -5.334 -2.284 18 H ILE 4 H ILE 4 -1.282 -1.631 -3.579 19 HA ILE 4 HA ILE 4 -2.673 -1.312 -6.030 20 HB ILE 4 HB ILE 4 -1.498 0.832 -4.255 21 HG12 ILE 4 HG12 ILE 4 -4.201 -0.523 -4.247 22 HG13 ILE 4 HG13 ILE 4 -2.999 -0.540 -2.961 23 HG21 ILE 4 HG21 ILE 4 -2.082 1.578 -6.533 24 HG22 ILE 4 HG22 ILE 4 -3.727 1.000 -6.278 25 HG23 ILE 4 HG23 ILE 4 -3.094 2.320 -5.295 26 HD11 ILE 4 HD11 ILE 4 -4.571 1.843 -3.906 27 HD12 ILE 4 HD12 ILE 4 -4.800 0.955 -2.399 28 HD13 ILE 4 HD13 ILE 4 -3.320 1.876 -2.664 29 H ALA 5 H ALA 5 0.656 -0.935 -5.086 30 HA ALA 5 HA ALA 5 1.651 0.750 -7.030 31 HB1 ALA 5 HB1 ALA 5 3.258 -1.659 -6.394 32 HB2 ALA 5 HB2 ALA 5 3.719 0.043 -6.400 33 HB3 ALA 5 HB3 ALA 5 2.788 -0.614 -5.054 34 H LYS 6 H LYS 6 0.778 -2.648 -7.288 35 HA LYS 6 HA LYS 6 1.926 -3.166 -9.802 36 HB2 LYS 6 HB2 LYS 6 -0.576 -4.414 -8.656 37 HB3 LYS 6 HB3 LYS 6 0.472 -5.100 -9.890 38 HG2 LYS 6 HG2 LYS 6 1.411 -4.489 -7.102 39 HG3 LYS 6 HG3 LYS 6 0.725 -6.045 -7.574 40 HD2 LYS 6 HD2 LYS 6 3.057 -4.802 -9.012 41 HD3 LYS 6 HD3 LYS 6 3.260 -5.854 -7.610 42 HE2 LYS 6 HE2 LYS 6 1.674 -7.433 -9.012 43 HE3 LYS 6 HE3 LYS 6 2.321 -6.499 -10.360 44 HZ1 LYS 6 HZ1 LYS 6 4.440 -7.239 -8.680 45 HZ2 LYS 6 HZ2 LYS 6 4.156 -7.707 -10.280 46 HZ3 LYS 6 HZ3 LYS 6 3.523 -8.623 -9.007 47 H LEU 7 H LEU 7 -1.120 -1.707 -8.859 48 HA LEU 7 HA LEU 7 -2.163 -1.693 -11.551 49 HB2 LEU 7 HB2 LEU 7 -3.243 -0.025 -9.316 50 HB3 LEU 7 HB3 LEU 7 -4.101 -0.768 -10.665 51 HG LEU 7 HG LEU 7 -2.905 -2.328 -8.380 52 HD11 LEU 7 HD11 LEU 7 -5.438 -2.560 -7.831 53 HD12 LEU 7 HD12 LEU 7 -5.576 -1.035 -8.706 54 HD13 LEU 7 HD13 LEU 7 -4.545 -1.143 -7.279 55 HD21 LEU 7 HD21 LEU 7 -4.836 -3.876 -9.350 56 HD22 LEU 7 HD22 LEU 7 -3.193 -3.904 -9.991 57 HD23 LEU 7 HD23 LEU 7 -4.449 -2.986 -10.823 58 H VAL 8 H VAL 8 -0.803 0.670 -9.288 59 HA VAL 8 HA VAL 8 -1.128 2.934 -10.941 60 HB VAL 8 HB VAL 8 0.910 2.442 -8.765 61 HG11 VAL 8 HG11 VAL 8 1.837 4.336 -9.499 62 HG12 VAL 8 HG12 VAL 8 0.480 4.682 -10.572 63 HG13 VAL 8 HG13 VAL 8 0.402 5.147 -8.872 64 HG21 VAL 8 HG21 VAL 8 -0.663 2.928 -7.250 65 HG22 VAL 8 HG22 VAL 8 -1.318 4.246 -8.221 66 HG23 VAL 8 HG23 VAL 8 -1.822 2.585 -8.534 67 H ALA 9 H ALA 9 1.192 0.368 -10.917 68 HA ALA 9 HA ALA 9 3.366 1.588 -12.175 69 HB1 ALA 9 HB1 ALA 9 2.420 -1.160 -11.768 70 HB2 ALA 9 HB2 ALA 9 3.466 -0.935 -13.170 71 HB3 ALA 9 HB3 ALA 9 4.030 -0.469 -11.565 72 H LYS 10 H LYS 10 0.265 0.736 -13.400 73 HA LYS 10 HA LYS 10 1.187 1.288 -16.145 74 HB2 LYS 10 HB2 LYS 10 -1.263 -0.286 -15.335 75 HB3 LYS 10 HB3 LYS 10 -0.647 -0.064 -16.967 76 HG2 LYS 10 HG2 LYS 10 0.901 -1.448 -14.792 77 HG3 LYS 10 HG3 LYS 10 -0.164 -2.288 -15.921 78 HD2 LYS 10 HD2 LYS 10 1.165 -1.567 -17.793 79 HD3 LYS 10 HD3 LYS 10 2.158 -0.549 -16.748 80 HE2 LYS 10 HE2 LYS 10 3.226 -2.709 -17.379 81 HE3 LYS 10 HE3 LYS 10 3.072 -2.462 -15.641 82 HZ1 LYS 10 HZ1 LYS 10 1.628 -4.156 -15.439 83 HZ2 LYS 10 HZ2 LYS 10 2.337 -4.696 -16.876 84 HZ3 LYS 10 HZ3 LYS 10 0.870 -3.856 -16.921 85 H PHE 11 H PHE 11 -1.057 2.081 -13.618 86 HA PHE 11 HA PHE 11 -2.652 3.806 -15.318 87 HB2 PHE 11 HB2 PHE 11 -2.726 3.286 -12.340 88 HB3 PHE 11 HB3 PHE 11 -3.849 4.342 -13.189 89 HD1 PHE 11 HD1 PHE 11 -4.369 2.795 -15.634 90 HD2 PHE 11 HD2 PHE 11 -4.033 1.528 -11.585 91 HE1 PHE 11 HE1 PHE 11 -5.816 0.866 -16.122 92 HE2 PHE 11 HE2 PHE 11 -5.479 -0.404 -12.066 93 HZ PHE 11 HZ PHE 11 -6.372 -0.737 -14.337 94 H GLY 12 H GLY 12 -0.751 4.305 -12.334 95 HA2 GLY 12 HA2 GLY 12 0.997 6.010 -12.324 96 HA3 GLY 12 HA3 GLY 12 -0.026 6.968 -13.385 97 H TRP 13 H TRP 13 0.908 8.253 -11.268 98 HA TRP 13 HA TRP 13 -0.651 8.031 -8.910 99 HB2 TRP 13 HB2 TRP 13 0.604 10.628 -9.700 100 HB3 TRP 13 HB3 TRP 13 0.541 9.849 -8.121 101 HD1 TRP 13 HD1 TRP 13 2.963 10.658 -10.659 102 HE1 TRP 13 HE1 TRP 13 5.039 9.142 -10.529 103 HE3 TRP 13 HE3 TRP 13 1.084 6.965 -7.665 104 HZ2 TRP 13 HZ2 TRP 13 5.781 6.702 -9.317 105 HZ3 TRP 13 HZ3 TRP 13 2.541 5.075 -7.068 106 HH2 TRP 13 HH2 TRP 13 4.841 4.948 -7.878 107 HA PRO 14 HA PRO 14 -3.094 11.785 -10.766 108 HB2 PRO 14 HB2 PRO 14 -2.813 12.213 -13.432 109 HB3 PRO 14 HB3 PRO 14 -1.777 12.979 -12.222 110 HG2 PRO 14 HG2 PRO 14 -1.245 10.572 -13.920 111 HG3 PRO 14 HG3 PRO 14 -0.166 11.923 -13.524 112 HD2 PRO 14 HD2 PRO 14 -0.023 9.527 -12.270 113 HD3 PRO 14 HD3 PRO 14 0.365 11.056 -11.455 114 H PHE 15 H PHE 15 -2.716 8.680 -12.074 115 HA PHE 15 HA PHE 15 -5.362 8.722 -13.340 116 HB2 PHE 15 HB2 PHE 15 -3.149 7.706 -14.376 117 HB3 PHE 15 HB3 PHE 15 -3.598 6.312 -13.398 118 HD1 PHE 15 HD1 PHE 15 -5.680 5.101 -13.846 119 HD2 PHE 15 HD2 PHE 15 -4.383 8.307 -16.326 120 HE1 PHE 15 HE1 PHE 15 -7.247 4.374 -15.598 121 HE2 PHE 15 HE2 PHE 15 -5.948 7.586 -18.082 122 HZ PHE 15 HZ PHE 15 -7.383 5.618 -17.720 123 H ILE 16 H ILE 16 -3.476 7.031 -10.873 124 HA ILE 16 HA ILE 16 -5.547 5.246 -10.104 125 HB ILE 16 HB ILE 16 -3.110 4.910 -9.619 126 HG12 ILE 16 HG12 ILE 16 -3.651 4.272 -7.090 127 HG13 ILE 16 HG13 ILE 16 -5.293 4.641 -7.605 128 HG21 ILE 16 HG21 ILE 16 -2.639 7.203 -8.866 129 HG22 ILE 16 HG22 ILE 16 -3.610 6.915 -7.423 130 HG23 ILE 16 HG23 ILE 16 -2.128 5.996 -7.687 131 HD11 ILE 16 HD11 ILE 16 -3.659 2.823 -9.289 132 HD12 ILE 16 HD12 ILE 16 -4.321 2.214 -7.772 133 HD13 ILE 16 HD13 ILE 16 -5.400 2.853 -9.012 134 H LYS 17 H LYS 17 -4.691 8.504 -9.194 135 HA LYS 17 HA LYS 17 -6.278 8.603 -6.825 136 HB2 LYS 17 HB2 LYS 17 -5.828 10.959 -6.818 137 HB3 LYS 17 HB3 LYS 17 -4.359 10.130 -7.315 138 HG2 LYS 17 HG2 LYS 17 -4.277 11.376 -9.137 139 HG3 LYS 17 HG3 LYS 17 -5.834 10.726 -9.655 140 HD2 LYS 17 HD2 LYS 17 -6.212 13.021 -9.592 141 HD3 LYS 17 HD3 LYS 17 -6.842 12.469 -8.038 142 HE2 LYS 17 HE2 LYS 17 -5.583 14.337 -7.468 143 HE3 LYS 17 HE3 LYS 17 -4.483 12.997 -7.145 144 HZ1 LYS 17 HZ1 LYS 17 -3.523 14.940 -8.388 145 HZ2 LYS 17 HZ2 LYS 17 -4.477 14.482 -9.707 146 HZ3 LYS 17 HZ3 LYS 17 -3.295 13.428 -9.113 147 H LYS 18 H LYS 18 -6.966 8.805 -10.172 148 HA LYS 18 HA LYS 18 -9.245 10.447 -10.153 149 HB2 LYS 18 HB2 LYS 18 -7.970 9.625 -12.177 150 HB3 LYS 18 HB3 LYS 18 -8.789 8.083 -11.975 151 HG2 LYS 18 HG2 LYS 18 -9.997 9.256 -13.615 152 HG3 LYS 18 HG3 LYS 18 -10.963 9.353 -12.141 153 HD2 LYS 18 HD2 LYS 18 -10.211 11.598 -11.730 154 HD3 LYS 18 HD3 LYS 18 -9.064 11.506 -13.068 155 HE2 LYS 18 HE2 LYS 18 -11.986 11.082 -13.551 156 HE3 LYS 18 HE3 LYS 18 -11.340 12.716 -13.403 157 HZ1 LYS 18 HZ1 LYS 18 -10.203 12.544 -15.344 158 HZ2 LYS 18 HZ2 LYS 18 -11.469 11.484 -15.708 159 HZ3 LYS 18 HZ3 LYS 18 -9.971 10.873 -15.213 160 H PHE 19 H PHE 19 -8.859 6.964 -9.664 161 HA PHE 19 HA PHE 19 -11.574 6.905 -8.539 162 HB2 PHE 19 HB2 PHE 19 -10.356 4.890 -10.434 163 HB3 PHE 19 HB3 PHE 19 -11.825 4.598 -9.508 164 HD1 PHE 19 HD1 PHE 19 -10.322 6.671 -12.160 165 HD2 PHE 19 HD2 PHE 19 -13.905 5.488 -10.191 166 HE1 PHE 19 HE1 PHE 19 -11.647 7.738 -13.938 167 HE2 PHE 19 HE2 PHE 19 -15.236 6.552 -11.966 168 HZ PHE 19 HZ PHE 19 -14.107 7.678 -13.843 169 H TYR 20 H TYR 20 -9.098 7.188 -7.163 170 HA TYR 20 HA TYR 20 -8.080 4.770 -6.164 171 HB2 TYR 20 HB2 TYR 20 -6.838 6.803 -5.850 172 HB3 TYR 20 HB3 TYR 20 -8.163 7.538 -4.955 173 HD1 TYR 20 HD2 TYR 20 -5.424 5.099 -4.808 174 HD2 TYR 20 HD1 TYR 20 -8.544 7.004 -2.632 175 HE1 TYR 20 HE2 TYR 20 -4.450 4.277 -2.704 176 HE2 TYR 20 HE1 TYR 20 -7.578 6.189 -0.522 177 HH TYR 20 HH TYR 20 -4.608 4.237 -0.494 178 H LYS 21 H LYS 21 -10.951 6.554 -5.414 179 HA LYS 21 HA LYS 21 -11.485 5.561 -2.841 180 HB2 LYS 21 HB2 LYS 21 -12.702 7.456 -3.770 181 HB3 LYS 21 HB3 LYS 21 -13.396 6.430 -5.018 182 HG2 LYS 21 HG2 LYS 21 -14.602 5.163 -3.321 183 HG3 LYS 21 HG3 LYS 21 -13.888 6.168 -2.057 184 HD2 LYS 21 HD2 LYS 21 -15.137 8.023 -2.645 185 HD3 LYS 21 HD3 LYS 21 -15.398 7.452 -4.295 186 HE2 LYS 21 HE2 LYS 21 -16.556 6.013 -1.929 187 HE3 LYS 21 HE3 LYS 21 -17.379 7.388 -2.664 188 HZ1 LYS 21 HZ1 LYS 21 -17.822 4.928 -3.444 189 HZ2 LYS 21 HZ2 LYS 21 -16.485 5.239 -4.432 190 HZ3 LYS 21 HZ3 LYS 21 -17.858 6.221 -4.535 191 H GLN 22 H GLN 22 -12.250 4.296 -6.050 192 HA GLN 22 HA GLN 22 -13.647 2.013 -4.944 193 HB2 GLN 22 HB2 GLN 22 -14.208 3.222 -7.144 194 HB3 GLN 22 HB3 GLN 22 -12.838 2.354 -7.822 195 HG2 GLN 22 HG2 GLN 22 -14.528 0.934 -8.370 196 HG3 GLN 22 HG3 GLN 22 -14.062 0.270 -6.806 197 HE21 GLN 22 HE21 GLN 22 -15.927 -0.518 -6.057 198 HE22 GLN 22 HE22 GLN 22 -17.370 0.403 -5.826 199 H ILE 23 H ILE 23 -10.613 2.652 -6.661 200 HA ILE 23 HA ILE 23 -9.704 0.035 -6.914 201 HB ILE 23 HB ILE 23 -8.060 2.526 -6.452 202 HG12 ILE 23 HG12 ILE 23 -8.343 1.267 -9.128 203 HG13 ILE 23 HG13 ILE 23 -9.745 2.131 -8.506 204 HG21 ILE 23 HG21 ILE 23 -6.686 0.631 -6.015 205 HG22 ILE 23 HG22 ILE 23 -7.297 -0.213 -7.437 206 HG23 ILE 23 HG23 ILE 23 -6.279 1.214 -7.629 207 HD11 ILE 23 HD11 ILE 23 -7.282 3.151 -9.617 208 HD12 ILE 23 HD12 ILE 23 -8.822 3.965 -9.337 209 HD13 ILE 23 HD13 ILE 23 -7.635 3.853 -8.038 210 H MET 24 H MET 24 -8.768 2.373 -4.381 211 HA MET 24 HA MET 24 -7.354 0.596 -2.778 212 HB2 MET 24 HB2 MET 24 -7.160 2.939 -2.369 213 HB3 MET 24 HB3 MET 24 -8.888 3.098 -2.083 214 HG2 MET 24 HG2 MET 24 -7.609 3.206 -0.012 215 HG3 MET 24 HG3 MET 24 -8.699 1.822 -0.038 216 HE1 MET 24 HE1 MET 24 -7.626 0.929 1.916 217 HE2 MET 24 HE2 MET 24 -6.116 0.018 1.949 218 HE3 MET 24 HE3 MET 24 -6.094 1.771 2.152 219 H GLN 25 H GLN 25 -10.766 1.004 -3.181 220 HA GLN 25 HA GLN 25 -11.543 -0.275 -0.744 221 HB2 GLN 25 HB2 GLN 25 -12.901 0.740 -3.171 222 HB3 GLN 25 HB3 GLN 25 -13.724 -0.555 -2.311 223 HG2 GLN 25 HG2 GLN 25 -12.793 2.004 -1.033 224 HG3 GLN 25 HG3 GLN 25 -14.425 1.724 -1.637 225 HE21 GLN 25 HE21 GLN 25 -13.750 2.371 1.029 226 HE22 GLN 25 HE22 GLN 25 -14.207 1.038 2.030 227 H PHE 26 H PHE 26 -10.636 -1.343 -3.910 228 HA PHE 26 HA PHE 26 -11.819 -3.944 -3.719 229 HB2 PHE 26 HB2 PHE 26 -9.750 -2.750 -5.562 230 HB3 PHE 26 HB3 PHE 26 -10.266 -4.429 -5.680 231 HD1 PHE 26 HD1 PHE 26 -13.133 -4.255 -5.207 232 HD2 PHE 26 HD2 PHE 26 -10.575 -1.687 -7.437 233 HE1 PHE 26 HE1 PHE 26 -15.042 -3.571 -6.601 234 HE2 PHE 26 HE2 PHE 26 -12.479 -0.998 -8.835 235 HZ PHE 26 HZ PHE 26 -14.716 -1.940 -8.417 236 H ILE 27 H ILE 27 -8.579 -2.613 -3.209 237 HA ILE 27 HA ILE 27 -7.148 -4.942 -2.803 238 HB ILE 27 HB ILE 27 -6.812 -2.335 -1.313 239 HG12 ILE 27 HG12 ILE 27 -6.745 -2.073 -3.760 240 HG13 ILE 27 HG13 ILE 27 -5.163 -1.797 -3.041 241 HG21 ILE 27 HG21 ILE 27 -5.264 -4.847 -1.377 242 HG22 ILE 27 HG22 ILE 27 -4.334 -3.353 -1.489 243 HG23 ILE 27 HG23 ILE 27 -5.401 -3.627 -0.111 244 HD11 ILE 27 HD11 ILE 27 -5.922 -3.643 -5.073 245 HD12 ILE 27 HD12 ILE 27 -4.315 -3.271 -4.448 246 HD13 ILE 27 HD13 ILE 27 -5.288 -4.529 -3.686 247 H GLY 28 H GLY 28 -9.186 -3.164 -0.523 248 HA2 GLY 28 HA2 GLY 28 -8.536 -4.830 1.714 249 HA3 GLY 28 HA3 GLY 28 -9.850 -3.666 1.629 250 H GLN 29 H GLN 29 -10.703 -5.131 -0.935 251 HA GLN 29 HA GLN 29 -12.505 -6.942 0.413 252 HB2 GLN 29 HB2 GLN 29 -13.465 -5.572 -1.294 253 HB3 GLN 29 HB3 GLN 29 -12.242 -6.059 -2.460 254 HG2 GLN 29 HG2 GLN 29 -14.321 -7.156 -2.956 255 HG3 GLN 29 HG3 GLN 29 -13.137 -8.345 -2.417 256 HE21 GLN 29 HE21 GLN 29 -16.152 -6.835 -1.795 257 HE22 GLN 29 HE22 GLN 29 -16.586 -7.766 -0.405 258 H GLY 30 H GLY 30 -9.612 -7.136 -1.486 259 HA2 GLY 30 HA2 GLY 30 -8.246 -9.113 -1.339 260 HA3 GLY 30 HA3 GLY 30 -9.717 -10.069 -1.238 261 H TRP 31 H TRP 31 -9.658 -7.517 -3.542 262 HA TRP 31 HA TRP 31 -10.036 -9.332 -5.706 263 HB2 TRP 31 HB2 TRP 31 -9.915 -6.376 -5.382 264 HB3 TRP 31 HB3 TRP 31 -9.635 -7.025 -6.996 265 HD1 TRP 31 HD1 TRP 31 -12.138 -8.761 -4.703 266 HE1 TRP 31 HE1 TRP 31 -14.506 -8.432 -5.658 267 HE3 TRP 31 HE3 TRP 31 -11.061 -5.407 -8.408 268 HZ2 TRP 31 HZ2 TRP 31 -15.751 -6.949 -7.712 269 HZ3 TRP 31 HZ3 TRP 31 -12.897 -4.583 -9.824 270 HH2 TRP 31 HH2 TRP 31 -15.193 -5.340 -9.481 271 H THR 32 H THR 32 -8.658 -9.983 -7.289 272 HA THR 32 HA THR 32 -5.889 -10.031 -6.740 273 HB THR 32 HB THR 32 -5.613 -11.217 -8.788 274 HG1 THR 32 HG1 THR 32 -6.869 -10.912 -10.498 275 HG21 THR 32 HG21 THR 32 -6.910 -12.360 -6.980 276 HG22 THR 32 HG22 THR 32 -7.240 -12.973 -8.601 277 HG23 THR 32 HG23 THR 32 -8.389 -11.890 -7.816 278 H ILE 33 H ILE 33 -4.209 -9.333 -8.354 279 HA ILE 33 HA ILE 33 -4.319 -6.526 -8.684 280 HB ILE 33 HB ILE 33 -2.379 -8.477 -9.931 281 HG12 ILE 33 HG12 ILE 33 -1.042 -7.297 -7.881 282 HG13 ILE 33 HG13 ILE 33 -2.667 -7.364 -7.209 283 HG21 ILE 33 HG21 ILE 33 -2.368 -6.286 -11.009 284 HG22 ILE 33 HG22 ILE 33 -2.137 -5.512 -9.442 285 HG23 ILE 33 HG23 ILE 33 -0.881 -6.558 -10.102 286 HD11 ILE 33 HD11 ILE 33 -0.817 -9.363 -7.099 287 HD12 ILE 33 HD12 ILE 33 -2.557 -9.564 -6.885 288 HD13 ILE 33 HD13 ILE 33 -1.822 -9.855 -8.462 289 H ASP 34 H ASP 34 -5.143 -9.187 -10.745 290 HA ASP 34 HA ASP 34 -5.140 -7.618 -13.171 291 HB2 ASP 34 HB2 ASP 34 -6.101 -10.417 -12.554 292 HB3 ASP 34 HB3 ASP 34 -6.196 -9.684 -14.153 293 H GLN 35 H GLN 35 -7.389 -8.491 -10.679 294 HA GLN 35 HA GLN 35 -9.818 -8.163 -12.001 295 HB2 GLN 35 HB2 GLN 35 -8.961 -7.766 -9.152 296 HB3 GLN 35 HB3 GLN 35 -10.603 -7.381 -9.649 297 HG2 GLN 35 HG2 GLN 35 -9.477 -10.047 -10.339 298 HG3 GLN 35 HG3 GLN 35 -9.999 -9.735 -8.685 299 HE21 GLN 35 HE21 GLN 35 -10.968 -10.346 -11.911 300 HE22 GLN 35 HE22 GLN 35 -12.672 -10.374 -11.634 301 H ILE 36 H ILE 36 -7.771 -5.754 -10.394 302 HA ILE 36 HA ILE 36 -9.542 -3.579 -10.991 303 HB ILE 36 HB ILE 36 -6.657 -3.527 -10.096 304 HG12 ILE 36 HG12 ILE 36 -8.008 -2.747 -7.935 305 HG13 ILE 36 HG13 ILE 36 -9.267 -3.735 -8.669 306 HG21 ILE 36 HG21 ILE 36 -6.836 -1.382 -10.759 307 HG22 ILE 36 HG22 ILE 36 -8.598 -1.418 -10.757 308 HG23 ILE 36 HG23 ILE 36 -7.719 -1.197 -9.244 309 HD11 ILE 36 HD11 ILE 36 -8.107 -5.679 -8.364 310 HD12 ILE 36 HD12 ILE 36 -6.537 -4.875 -8.373 311 HD13 ILE 36 HD13 ILE 36 -7.581 -4.755 -6.957 312 H GLU 37 H GLU 37 -6.400 -4.665 -12.255 313 HA GLU 37 HA GLU 37 -5.948 -2.680 -14.121 314 HB2 GLU 37 HB2 GLU 37 -5.230 -5.592 -14.039 315 HB3 GLU 37 HB3 GLU 37 -4.818 -4.620 -15.445 316 HG2 GLU 37 HG2 GLU 37 -3.787 -3.013 -13.660 317 HG3 GLU 37 HG3 GLU 37 -3.776 -4.466 -12.661 318 H LYS 38 H LYS 38 -8.189 -5.343 -14.233 319 HA LYS 38 HA LYS 38 -8.836 -4.797 -17.033 320 HB2 LYS 38 HB2 LYS 38 -8.568 -7.143 -16.367 321 HB3 LYS 38 HB3 LYS 38 -9.839 -6.956 -15.166 322 HG2 LYS 38 HG2 LYS 38 -10.809 -8.045 -17.022 323 HG3 LYS 38 HG3 LYS 38 -11.394 -6.380 -17.054 324 HD2 LYS 38 HD2 LYS 38 -9.906 -5.801 -18.813 325 HD3 LYS 38 HD3 LYS 38 -9.013 -7.314 -18.644 326 HE2 LYS 38 HE2 LYS 38 -11.918 -7.177 -19.427 327 HE3 LYS 38 HE3 LYS 38 -10.599 -7.196 -20.597 328 HZ1 LYS 38 HZ1 LYS 38 -10.802 -9.399 -20.485 329 HZ2 LYS 38 HZ2 LYS 38 -11.711 -9.353 -19.060 330 HZ3 LYS 38 HZ3 LYS 38 -10.022 -9.294 -18.987 331 H TRP 39 H TRP 39 -10.029 -4.296 -13.825 332 HA TRP 39 HA TRP 39 -12.746 -3.785 -14.541 333 HB2 TRP 39 HB2 TRP 39 -12.228 -4.441 -12.274 334 HB3 TRP 39 HB3 TRP 39 -11.147 -3.064 -12.078 335 HD1 TRP 39 HD1 TRP 39 -14.763 -4.068 -11.787 336 HE1 TRP 39 HE1 TRP 39 -16.149 -2.063 -10.961 337 HE3 TRP 39 HE3 TRP 39 -11.238 -0.395 -12.257 338 HZ2 TRP 39 HZ2 TRP 39 -15.795 0.709 -10.562 339 HZ3 TRP 39 HZ3 TRP 39 -11.842 1.906 -11.632 340 HH2 TRP 39 HH2 TRP 39 -14.074 2.445 -10.803 341 H LEU 40 H LEU 40 -9.855 -1.818 -14.162 342 HA LEU 40 HA LEU 40 -11.321 0.649 -14.585 343 HB2 LEU 40 HB2 LEU 40 -9.485 0.697 -13.034 344 HB3 LEU 40 HB3 LEU 40 -8.385 0.058 -14.254 345 HG LEU 40 HG LEU 40 -8.461 2.122 -15.483 346 HD11 LEU 40 HD11 LEU 40 -10.820 2.661 -15.082 347 HD12 LEU 40 HD12 LEU 40 -9.763 4.033 -14.751 348 HD13 LEU 40 HD13 LEU 40 -10.431 3.094 -13.417 349 HD21 LEU 40 HD21 LEU 40 -7.381 1.828 -12.938 350 HD22 LEU 40 HD22 LEU 40 -8.140 3.420 -12.921 351 HD23 LEU 40 HD23 LEU 40 -6.933 3.031 -14.148 352 H LYS 41 H LYS 41 -8.839 -1.244 -16.286 353 HA LYS 41 HA LYS 41 -8.499 0.337 -18.522 354 HB2 LYS 41 HB2 LYS 41 -7.126 -1.627 -18.087 355 HB3 LYS 41 HB3 LYS 41 -8.510 -2.682 -18.345 356 HG2 LYS 41 HG2 LYS 41 -7.235 -2.791 -20.315 357 HG3 LYS 41 HG3 LYS 41 -8.616 -1.758 -20.694 358 HD2 LYS 41 HD2 LYS 41 -7.277 0.217 -20.486 359 HD3 LYS 41 HD3 LYS 41 -5.912 -0.713 -19.864 360 HE2 LYS 41 HE2 LYS 41 -6.136 -1.991 -22.136 361 HE3 LYS 41 HE3 LYS 41 -6.980 -0.530 -22.646 362 HZ1 LYS 41 HZ1 LYS 41 -5.052 0.773 -22.083 363 HZ2 LYS 41 HZ2 LYS 41 -4.597 -0.464 -23.143 364 HZ3 LYS 41 HZ3 LYS 41 -4.244 -0.592 -21.493 365 H ARG 42 H ARG 42 -11.037 -2.021 -17.845 366 HA ARG 42 HA ARG 42 -12.233 -2.015 -20.393 367 HB2 ARG 42 HB2 ARG 42 -12.640 -3.649 -18.489 368 HB3 ARG 42 HB3 ARG 42 -13.691 -2.427 -17.786 369 HG2 ARG 42 HG2 ARG 42 -14.972 -2.466 -19.968 370 HG3 ARG 42 HG3 ARG 42 -14.045 -3.913 -20.369 371 HD2 ARG 42 HD2 ARG 42 -16.157 -4.565 -19.412 372 HD3 ARG 42 HD3 ARG 42 -14.862 -4.963 -18.283 373 HE ARG 42 HE ARG 42 -15.915 -2.409 -17.695 374 HH11 ARG 42 HH11 ARG 42 -16.686 -5.796 -17.472 375 HH12 ARG 42 HH12 ARG 42 -17.718 -5.604 -16.094 376 HH21 ARG 42 HH21 ARG 42 -17.272 -2.143 -15.881 377 HH22 ARG 42 HH22 ARG 42 -18.051 -3.525 -15.191 378 H HIS 43 H HIS 43 -13.042 -0.184 -17.448 379 HA HIS 43 HA HIS 43 -14.203 1.746 -17.122 380 HB2 HIS 43 HB2 HIS 43 -12.403 2.409 -18.904 381 HB3 HIS 43 HB3 HIS 43 -13.783 2.497 -19.994 382 HD1 HIS 43 HD1 HIS 43 -13.952 4.981 -20.292 383 HD2 HIS 43 HD2 HIS 43 -13.796 3.860 -16.294 384 HE1 HIS 43 HE1 HIS 43 -14.417 7.079 -18.987 Start of MODEL 18 1 HCN FME 1 HF FME 1 -2.223 -6.098 0.993 2 HA FME 1 HA FME 1 -1.491 -2.470 0.441 3 HB2 FME 1 HB2 FME 1 -1.201 -1.985 2.913 4 HB3 FME 1 HB3 FME 1 -0.262 -1.021 1.719 5 HG2 FME 1 HG2 FME 1 1.817 -2.201 2.244 6 HG3 FME 1 HG3 FME 1 0.957 -3.429 3.241 7 HE1 FME 1 HE8 FME 1 2.430 -2.631 5.871 8 HE2 FME 1 HE2 FME 1 3.285 -1.101 5.414 9 HE3 FME 1 HE3 FME 1 3.195 -2.484 4.237 10 H GLY 2 H GLY 2 0.472 -1.289 -0.344 11 HA2 GLY 2 HA2 GLY 2 2.275 -1.245 -1.771 12 HA3 GLY 2 HA3 GLY 2 2.758 -2.796 -1.100 13 H ALA 3 H ALA 3 -0.357 -2.261 -2.601 14 HA ALA 3 HA ALA 3 0.498 -3.986 -4.834 15 HB1 ALA 3 HB1 ALA 3 -2.205 -4.267 -4.793 16 HB2 ALA 3 HB2 ALA 3 -1.068 -5.360 -4.002 17 HB3 ALA 3 HB3 ALA 3 -1.847 -4.077 -3.077 18 H ILE 4 H ILE 4 -1.060 -1.041 -3.889 19 HA ILE 4 HA ILE 4 -2.482 -0.393 -6.192 20 HB ILE 4 HB ILE 4 -0.961 1.553 -4.456 21 HG12 ILE 4 HG12 ILE 4 -3.702 0.324 -4.123 22 HG13 ILE 4 HG13 ILE 4 -2.333 0.187 -3.025 23 HG21 ILE 4 HG21 ILE 4 -2.327 2.012 -6.789 24 HG22 ILE 4 HG22 ILE 4 -3.540 2.350 -5.556 25 HG23 ILE 4 HG23 ILE 4 -2.001 3.210 -5.537 26 HD11 ILE 4 HD11 ILE 4 -3.907 2.679 -3.620 27 HD12 ILE 4 HD12 ILE 4 -3.953 1.726 -2.137 28 HD13 ILE 4 HD13 ILE 4 -2.486 2.600 -2.579 29 H ALA 5 H ALA 5 0.948 -0.069 -5.469 30 HA ALA 5 HA ALA 5 1.788 1.566 -7.525 31 HB1 ALA 5 HB1 ALA 5 3.899 0.001 -7.423 32 HB2 ALA 5 HB2 ALA 5 3.484 1.059 -6.074 33 HB3 ALA 5 HB3 ALA 5 3.068 -0.653 -6.011 34 H LYS 6 H LYS 6 1.194 -1.926 -7.599 35 HA LYS 6 HA LYS 6 2.115 -2.477 -10.162 36 HB2 LYS 6 HB2 LYS 6 -0.239 -3.727 -8.734 37 HB3 LYS 6 HB3 LYS 6 0.605 -4.419 -10.113 38 HG2 LYS 6 HG2 LYS 6 2.202 -3.742 -7.706 39 HG3 LYS 6 HG3 LYS 6 1.139 -5.149 -7.635 40 HD2 LYS 6 HD2 LYS 6 2.210 -6.005 -9.699 41 HD3 LYS 6 HD3 LYS 6 3.325 -4.637 -9.652 42 HE2 LYS 6 HE2 LYS 6 4.495 -6.416 -8.660 43 HE3 LYS 6 HE3 LYS 6 3.940 -5.425 -7.312 44 HZ1 LYS 6 HZ1 LYS 6 2.285 -7.677 -8.222 45 HZ2 LYS 6 HZ2 LYS 6 2.398 -6.983 -6.684 46 HZ3 LYS 6 HZ3 LYS 6 3.636 -7.985 -7.252 47 H LEU 7 H LEU 7 -0.980 -1.174 -9.098 48 HA LEU 7 HA LEU 7 -2.111 -1.224 -11.750 49 HB2 LEU 7 HB2 LEU 7 -3.188 0.364 -9.448 50 HB3 LEU 7 HB3 LEU 7 -4.062 -0.363 -10.795 51 HG LEU 7 HG LEU 7 -2.727 -1.975 -8.628 52 HD11 LEU 7 HD11 LEU 7 -5.296 -2.261 -8.045 53 HD12 LEU 7 HD12 LEU 7 -5.369 -0.628 -8.705 54 HD13 LEU 7 HD13 LEU 7 -4.312 -0.979 -7.338 55 HD21 LEU 7 HD21 LEU 7 -4.622 -3.559 -9.525 56 HD22 LEU 7 HD22 LEU 7 -3.070 -3.442 -10.355 57 HD23 LEU 7 HD23 LEU 7 -4.470 -2.562 -10.972 58 H VAL 8 H VAL 8 -0.672 1.168 -9.595 59 HA VAL 8 HA VAL 8 -1.245 3.442 -11.174 60 HB VAL 8 HB VAL 8 1.000 3.014 -9.198 61 HG11 VAL 8 HG11 VAL 8 0.326 5.241 -10.931 62 HG12 VAL 8 HG12 VAL 8 0.335 5.699 -9.227 63 HG13 VAL 8 HG13 VAL 8 1.767 4.967 -9.952 64 HG21 VAL 8 HG21 VAL 8 -0.447 3.401 -7.537 65 HG22 VAL 8 HG22 VAL 8 -1.248 4.702 -8.418 66 HG23 VAL 8 HG23 VAL 8 -1.704 3.025 -8.716 67 H ALA 9 H ALA 9 1.189 0.983 -11.368 68 HA ALA 9 HA ALA 9 3.184 2.301 -12.802 69 HB1 ALA 9 HB1 ALA 9 2.386 -0.493 -12.363 70 HB2 ALA 9 HB2 ALA 9 3.319 -0.199 -13.831 71 HB3 ALA 9 HB3 ALA 9 3.974 0.267 -12.261 72 H LYS 10 H LYS 10 0.031 1.303 -13.769 73 HA LYS 10 HA LYS 10 0.689 1.895 -16.580 74 HB2 LYS 10 HB2 LYS 10 -1.667 0.299 -15.566 75 HB3 LYS 10 HB3 LYS 10 -1.167 0.501 -17.240 76 HG2 LYS 10 HG2 LYS 10 0.507 -0.857 -15.141 77 HG3 LYS 10 HG3 LYS 10 -0.586 -1.702 -16.240 78 HD2 LYS 10 HD2 LYS 10 1.568 0.131 -17.251 79 HD3 LYS 10 HD3 LYS 10 1.887 -1.567 -16.891 80 HE2 LYS 10 HE2 LYS 10 -0.148 -2.037 -18.403 81 HE3 LYS 10 HE3 LYS 10 0.082 -0.384 -18.972 82 HZ1 LYS 10 HZ1 LYS 10 1.344 -2.586 -19.939 83 HZ2 LYS 10 HZ2 LYS 10 2.515 -1.897 -18.932 84 HZ3 LYS 10 HZ3 LYS 10 1.833 -0.984 -20.183 85 H PHE 11 H PHE 11 -1.434 2.576 -13.893 86 HA PHE 11 HA PHE 11 -3.155 4.307 -15.444 87 HB2 PHE 11 HB2 PHE 11 -2.997 3.776 -12.471 88 HB3 PHE 11 HB3 PHE 11 -4.210 4.796 -13.237 89 HD1 PHE 11 HD2 PHE 11 -4.849 3.224 -15.642 90 HD2 PHE 11 HD1 PHE 11 -4.197 1.985 -11.622 91 HE1 PHE 11 HE2 PHE 11 -6.267 1.250 -16.024 92 HE2 PHE 11 HE1 PHE 11 -5.614 0.008 -11.998 93 HZ PHE 11 HZ PHE 11 -6.652 -0.361 -14.201 94 H GLY 12 H GLY 12 -1.154 4.869 -12.538 95 HA2 GLY 12 HA2 GLY 12 0.589 6.597 -12.649 96 HA3 GLY 12 HA3 GLY 12 -0.516 7.534 -13.644 97 H TRP 13 H TRP 13 0.504 8.849 -11.595 98 HA TRP 13 HA TRP 13 -0.890 8.585 -9.140 99 HB2 TRP 13 HB2 TRP 13 0.227 11.218 -10.012 100 HB3 TRP 13 HB3 TRP 13 0.293 10.441 -8.433 101 HD1 TRP 13 HD1 TRP 13 2.513 11.317 -11.131 102 HE1 TRP 13 HE1 TRP 13 4.641 9.869 -11.136 103 HE3 TRP 13 HE3 TRP 13 0.960 7.582 -8.005 104 HZ2 TRP 13 HZ2 TRP 13 5.542 7.462 -9.969 105 HZ3 TRP 13 HZ3 TRP 13 2.516 5.743 -7.500 106 HH2 TRP 13 HH2 TRP 13 4.759 5.686 -8.463 107 HA PRO 14 HA PRO 14 -3.569 12.253 -10.834 108 HB2 PRO 14 HB2 PRO 14 -3.478 12.681 -13.514 109 HB3 PRO 14 HB3 PRO 14 -2.390 13.484 -12.375 110 HG2 PRO 14 HG2 PRO 14 -1.894 11.089 -14.103 111 HG3 PRO 14 HG3 PRO 14 -0.835 12.474 -13.780 112 HD2 PRO 14 HD2 PRO 14 -0.533 10.088 -12.536 113 HD3 PRO 14 HD3 PRO 14 -0.141 11.631 -11.750 114 H PHE 15 H PHE 15 -3.164 9.170 -12.217 115 HA PHE 15 HA PHE 15 -5.891 9.121 -13.289 116 HB2 PHE 15 HB2 PHE 15 -3.728 8.175 -14.471 117 HB3 PHE 15 HB3 PHE 15 -4.045 6.774 -13.452 118 HD1 PHE 15 HD1 PHE 15 -6.043 5.427 -13.773 119 HD2 PHE 15 HD2 PHE 15 -5.182 8.746 -16.295 120 HE1 PHE 15 HE1 PHE 15 -7.700 4.615 -15.402 121 HE2 PHE 15 HE2 PHE 15 -6.837 7.940 -17.927 122 HZ PHE 15 HZ PHE 15 -8.100 5.873 -17.481 123 H ILE 16 H ILE 16 -3.804 7.497 -10.942 124 HA ILE 16 HA ILE 16 -5.796 5.673 -10.037 125 HB ILE 16 HB ILE 16 -3.326 5.343 -9.756 126 HG12 ILE 16 HG12 ILE 16 -3.745 4.786 -7.125 127 HG13 ILE 16 HG13 ILE 16 -5.402 4.962 -7.692 128 HG21 ILE 16 HG21 ILE 16 -2.902 7.689 -8.989 129 HG22 ILE 16 HG22 ILE 16 -3.609 7.243 -7.437 130 HG23 ILE 16 HG23 ILE 16 -2.143 6.441 -8.001 131 HD11 ILE 16 HD11 ILE 16 -3.595 3.280 -9.317 132 HD12 ILE 16 HD12 ILE 16 -4.103 2.652 -7.749 133 HD13 ILE 16 HD13 ILE 16 -5.311 3.091 -8.957 134 H LYS 17 H LYS 17 -4.888 8.929 -9.183 135 HA LYS 17 HA LYS 17 -6.288 8.997 -6.692 136 HB2 LYS 17 HB2 LYS 17 -5.773 11.313 -6.636 137 HB3 LYS 17 HB3 LYS 17 -4.385 10.521 -7.371 138 HG2 LYS 17 HG2 LYS 17 -5.184 11.179 -9.586 139 HG3 LYS 17 HG3 LYS 17 -6.569 11.983 -8.843 140 HD2 LYS 17 HD2 LYS 17 -3.683 12.676 -8.300 141 HD3 LYS 17 HD3 LYS 17 -4.725 13.535 -9.436 142 HE2 LYS 17 HE2 LYS 17 -5.053 14.854 -7.617 143 HE3 LYS 17 HE3 LYS 17 -6.295 13.647 -7.289 144 HZ1 LYS 17 HZ1 LYS 17 -5.292 13.313 -5.357 145 HZ2 LYS 17 HZ2 LYS 17 -3.971 14.279 -5.784 146 HZ3 LYS 17 HZ3 LYS 17 -3.985 12.638 -6.192 147 H LYS 18 H LYS 18 -7.214 9.246 -9.975 148 HA LYS 18 HA LYS 18 -9.523 10.868 -9.674 149 HB2 LYS 18 HB2 LYS 18 -8.238 10.166 -11.826 150 HB3 LYS 18 HB3 LYS 18 -9.269 8.742 -11.778 151 HG2 LYS 18 HG2 LYS 18 -10.427 10.166 -13.175 152 HG3 LYS 18 HG3 LYS 18 -11.210 10.436 -11.617 153 HD2 LYS 18 HD2 LYS 18 -10.864 12.609 -12.111 154 HD3 LYS 18 HD3 LYS 18 -9.239 12.282 -11.504 155 HE2 LYS 18 HE2 LYS 18 -9.601 11.594 -14.320 156 HE3 LYS 18 HE3 LYS 18 -9.854 13.305 -13.976 157 HZ1 LYS 18 HZ1 LYS 18 -7.568 12.440 -12.602 158 HZ2 LYS 18 HZ2 LYS 18 -7.675 13.574 -13.851 159 HZ3 LYS 18 HZ3 LYS 18 -7.432 11.940 -14.212 160 H PHE 19 H PHE 19 -8.853 7.518 -9.092 161 HA PHE 19 HA PHE 19 -11.548 7.178 -8.038 162 HB2 PHE 19 HB2 PHE 19 -10.355 5.497 -10.233 163 HB3 PHE 19 HB3 PHE 19 -11.605 4.865 -9.166 164 HD1 PHE 19 HD2 PHE 19 -10.850 7.447 -11.689 165 HD2 PHE 19 HD1 PHE 19 -13.872 5.460 -9.445 166 HE1 PHE 19 HE2 PHE 19 -12.576 8.470 -13.113 167 HE2 PHE 19 HE1 PHE 19 -15.603 6.479 -10.866 168 HZ PHE 19 HZ PHE 19 -14.955 7.988 -12.703 169 H TYR 20 H TYR 20 -9.050 7.491 -6.740 170 HA TYR 20 HA TYR 20 -7.864 5.052 -5.988 171 HB2 TYR 20 HB2 TYR 20 -6.673 7.087 -5.580 172 HB3 TYR 20 HB3 TYR 20 -7.989 7.735 -4.607 173 HD1 TYR 20 HD1 TYR 20 -5.151 5.417 -4.670 174 HD2 TYR 20 HD2 TYR 20 -8.303 7.028 -2.309 175 HE1 TYR 20 HE1 TYR 20 -4.084 4.520 -2.643 176 HE2 TYR 20 HE2 TYR 20 -7.245 6.136 -0.276 177 HH TYR 20 HH TYR 20 -5.619 4.836 0.534 178 H LYS 21 H LYS 21 -10.765 6.643 -4.972 179 HA LYS 21 HA LYS 21 -11.097 5.385 -2.462 180 HB2 LYS 21 HB2 LYS 21 -13.214 6.424 -4.355 181 HB3 LYS 21 HB3 LYS 21 -13.445 6.066 -2.648 182 HG2 LYS 21 HG2 LYS 21 -12.072 7.869 -1.986 183 HG3 LYS 21 HG3 LYS 21 -11.461 8.099 -3.625 184 HD2 LYS 21 HD2 LYS 21 -14.384 8.374 -3.017 185 HD3 LYS 21 HD3 LYS 21 -13.269 9.714 -2.735 186 HE2 LYS 21 HE2 LYS 21 -12.846 10.009 -4.970 187 HE3 LYS 21 HE3 LYS 21 -13.198 8.329 -5.370 188 HZ1 LYS 21 HZ1 LYS 21 -14.890 9.898 -6.184 189 HZ2 LYS 21 HZ2 LYS 21 -15.244 10.334 -4.589 190 HZ3 LYS 21 HZ3 LYS 21 -15.531 8.753 -5.116 191 H GLN 22 H GLN 22 -11.942 4.456 -5.746 192 HA GLN 22 HA GLN 22 -13.351 2.085 -4.843 193 HB2 GLN 22 HB2 GLN 22 -14.065 3.445 -6.843 194 HB3 GLN 22 HB3 GLN 22 -12.632 2.852 -7.673 195 HG2 GLN 22 HG2 GLN 22 -14.191 1.370 -8.422 196 HG3 GLN 22 HG3 GLN 22 -13.590 0.510 -7.005 197 HE21 GLN 22 HE21 GLN 22 -15.870 -0.397 -7.691 198 HE22 GLN 22 HE22 GLN 22 -17.183 0.226 -6.756 199 H ILE 23 H ILE 23 -10.381 2.875 -6.615 200 HA ILE 23 HA ILE 23 -9.492 0.305 -7.160 201 HB ILE 23 HB ILE 23 -7.816 2.720 -6.468 202 HG12 ILE 23 HG12 ILE 23 -8.191 1.761 -9.257 203 HG13 ILE 23 HG13 ILE 23 -9.555 2.577 -8.503 204 HG21 ILE 23 HG21 ILE 23 -6.419 0.820 -6.284 205 HG22 ILE 23 HG22 ILE 23 -7.110 0.083 -7.728 206 HG23 ILE 23 HG23 ILE 23 -6.095 1.518 -7.871 207 HD11 ILE 23 HD11 ILE 23 -7.124 3.673 -9.592 208 HD12 ILE 23 HD12 ILE 23 -8.624 4.482 -9.137 209 HD13 ILE 23 HD13 ILE 23 -7.376 4.191 -7.926 210 H MET 24 H MET 24 -8.366 2.337 -4.446 211 HA MET 24 HA MET 24 -6.994 0.334 -3.089 212 HB2 MET 24 HB2 MET 24 -6.638 2.617 -2.480 213 HB3 MET 24 HB3 MET 24 -8.336 2.842 -2.083 214 HG2 MET 24 HG2 MET 24 -6.955 2.680 -0.085 215 HG3 MET 24 HG3 MET 24 -8.118 1.359 -0.182 216 HE1 MET 24 HE1 MET 24 -4.689 0.295 1.583 217 HE2 MET 24 HE2 MET 24 -6.009 1.452 1.758 218 HE3 MET 24 HE3 MET 24 -6.353 -0.278 1.710 219 H GLN 25 H GLN 25 -10.387 0.980 -3.282 220 HA GLN 25 HA GLN 25 -11.175 -0.415 -0.932 221 HB2 GLN 25 HB2 GLN 25 -12.486 0.867 -3.211 222 HB3 GLN 25 HB3 GLN 25 -13.339 -0.559 -2.634 223 HG2 GLN 25 HG2 GLN 25 -12.461 1.641 -0.792 224 HG3 GLN 25 HG3 GLN 25 -14.008 1.670 -1.637 225 HE21 GLN 25 HE21 GLN 25 -15.669 0.776 -0.646 226 HE22 GLN 25 HE22 GLN 25 -15.586 -0.349 0.662 227 H PHE 26 H PHE 26 -10.348 -1.378 -4.155 228 HA PHE 26 HA PHE 26 -11.623 -3.930 -4.093 229 HB2 PHE 26 HB2 PHE 26 -9.444 -2.762 -5.824 230 HB3 PHE 26 HB3 PHE 26 -10.040 -4.406 -6.032 231 HD1 PHE 26 HD2 PHE 26 -12.908 -4.104 -5.629 232 HD2 PHE 26 HD1 PHE 26 -10.158 -1.577 -7.670 233 HE1 PHE 26 HE2 PHE 26 -14.737 -3.261 -7.043 234 HE2 PHE 26 HE1 PHE 26 -11.982 -0.729 -9.086 235 HZ PHE 26 HZ PHE 26 -14.275 -1.572 -8.775 236 H ILE 27 H ILE 27 -8.432 -2.726 -3.241 237 HA ILE 27 HA ILE 27 -7.043 -5.113 -2.984 238 HB ILE 27 HB ILE 27 -6.782 -2.663 -1.236 239 HG12 ILE 27 HG12 ILE 27 -5.315 -3.430 -3.770 240 HG13 ILE 27 HG13 ILE 27 -6.560 -2.191 -3.652 241 HG21 ILE 27 HG21 ILE 27 -5.484 -5.203 -1.140 242 HG22 ILE 27 HG22 ILE 27 -4.313 -3.972 -1.608 243 HG23 ILE 27 HG23 ILE 27 -5.234 -3.790 -0.116 244 HD11 ILE 27 HD11 ILE 27 -4.514 -1.695 -1.715 245 HD12 ILE 27 HD12 ILE 27 -3.801 -1.892 -3.317 246 HD13 ILE 27 HD13 ILE 27 -5.060 -0.685 -3.054 247 H GLY 28 H GLY 28 -8.728 -3.340 -0.378 248 HA2 GLY 28 HA2 GLY 28 -8.406 -5.244 1.623 249 HA3 GLY 28 HA3 GLY 28 -9.726 -4.086 1.549 250 H GLN 29 H GLN 29 -10.647 -5.196 -1.047 251 HA GLN 29 HA GLN 29 -12.430 -7.153 0.025 252 HB2 GLN 29 HB2 GLN 29 -13.283 -5.675 -1.646 253 HB3 GLN 29 HB3 GLN 29 -11.992 -6.092 -2.764 254 HG2 GLN 29 HG2 GLN 29 -14.041 -7.143 -3.453 255 HG3 GLN 29 HG3 GLN 29 -12.891 -8.371 -2.925 256 HE21 GLN 29 HE21 GLN 29 -16.008 -7.181 -2.614 257 HE22 GLN 29 HE22 GLN 29 -16.494 -8.088 -1.227 258 H GLY 30 H GLY 30 -9.426 -7.252 -1.699 259 HA2 GLY 30 HA2 GLY 30 -8.067 -9.223 -1.636 260 HA3 GLY 30 HA3 GLY 30 -9.534 -10.190 -1.604 261 H TRP 31 H TRP 31 -9.433 -7.551 -3.809 262 HA TRP 31 HA TRP 31 -9.742 -9.293 -6.047 263 HB2 TRP 31 HB2 TRP 31 -9.632 -6.335 -5.642 264 HB3 TRP 31 HB3 TRP 31 -9.407 -6.969 -7.270 265 HD1 TRP 31 HD1 TRP 31 -11.849 -8.694 -4.898 266 HE1 TRP 31 HE1 TRP 31 -14.242 -8.353 -5.782 267 HE3 TRP 31 HE3 TRP 31 -10.862 -5.362 -8.648 268 HZ2 TRP 31 HZ2 TRP 31 -15.540 -6.869 -7.802 269 HZ3 TRP 31 HZ3 TRP 31 -12.735 -4.530 -10.010 270 HH2 TRP 31 HH2 TRP 31 -15.025 -5.270 -9.595 271 H THR 32 H THR 32 -8.328 -9.801 -7.668 272 HA THR 32 HA THR 32 -5.548 -9.752 -7.036 273 HB THR 32 HB THR 32 -5.203 -10.904 -9.146 274 HG1 THR 32 HG1 THR 32 -7.735 -9.849 -9.695 275 HG21 THR 32 HG21 THR 32 -6.488 -11.940 -7.056 276 HG22 THR 32 HG22 THR 32 -6.194 -12.866 -8.528 277 HG23 THR 32 HG23 THR 32 -7.766 -12.114 -8.257 278 H ILE 33 H ILE 33 -3.854 -8.859 -8.370 279 HA ILE 33 HA ILE 33 -4.121 -6.137 -8.876 280 HB ILE 33 HB ILE 33 -2.082 -8.023 -10.062 281 HG12 ILE 33 HG12 ILE 33 -2.168 -8.090 -7.597 282 HG13 ILE 33 HG13 ILE 33 -0.670 -7.372 -8.178 283 HG21 ILE 33 HG21 ILE 33 -2.148 -5.907 -11.249 284 HG22 ILE 33 HG22 ILE 33 -2.029 -5.028 -9.725 285 HG23 ILE 33 HG23 ILE 33 -0.679 -6.018 -10.279 286 HD11 ILE 33 HD11 ILE 33 -1.534 -6.153 -6.276 287 HD12 ILE 33 HD12 ILE 33 -1.574 -5.146 -7.724 288 HD13 ILE 33 HD13 ILE 33 -3.058 -5.881 -7.119 289 H ASP 34 H ASP 34 -4.850 -8.856 -10.881 290 HA ASP 34 HA ASP 34 -4.872 -7.360 -13.349 291 HB2 ASP 34 HB2 ASP 34 -5.726 -10.158 -12.612 292 HB3 ASP 34 HB3 ASP 34 -5.977 -9.490 -14.222 293 H GLN 35 H GLN 35 -7.207 -8.457 -10.962 294 HA GLN 35 HA GLN 35 -9.582 -8.045 -12.311 295 HB2 GLN 35 HB2 GLN 35 -8.740 -8.082 -9.489 296 HB3 GLN 35 HB3 GLN 35 -10.230 -7.201 -9.803 297 HG2 GLN 35 HG2 GLN 35 -11.212 -9.153 -10.829 298 HG3 GLN 35 HG3 GLN 35 -9.702 -10.043 -10.641 299 HE21 GLN 35 HE21 GLN 35 -12.596 -8.997 -9.145 300 HE22 GLN 35 HE22 GLN 35 -12.345 -9.754 -7.612 301 H ILE 36 H ILE 36 -7.675 -5.685 -10.464 302 HA ILE 36 HA ILE 36 -9.434 -3.508 -10.948 303 HB ILE 36 HB ILE 36 -6.507 -3.464 -10.199 304 HG12 ILE 36 HG12 ILE 36 -7.822 -2.778 -7.950 305 HG13 ILE 36 HG13 ILE 36 -9.023 -3.844 -8.671 306 HG21 ILE 36 HG21 ILE 36 -6.699 -1.285 -10.676 307 HG22 ILE 36 HG22 ILE 36 -8.459 -1.353 -10.728 308 HG23 ILE 36 HG23 ILE 36 -7.628 -1.194 -9.181 309 HD11 ILE 36 HD11 ILE 36 -7.804 -5.686 -8.284 310 HD12 ILE 36 HD12 ILE 36 -6.275 -4.880 -8.636 311 HD13 ILE 36 HD13 ILE 36 -7.039 -4.672 -7.060 312 H GLU 37 H GLU 37 -6.240 -4.313 -12.322 313 HA GLU 37 HA GLU 37 -6.052 -2.269 -14.169 314 HB2 GLU 37 HB2 GLU 37 -5.019 -5.091 -14.176 315 HB3 GLU 37 HB3 GLU 37 -4.711 -4.015 -15.532 316 HG2 GLU 37 HG2 GLU 37 -3.883 -2.399 -13.628 317 HG3 GLU 37 HG3 GLU 37 -3.670 -3.914 -12.753 318 H LYS 38 H LYS 38 -7.941 -5.200 -14.304 319 HA LYS 38 HA LYS 38 -8.652 -4.787 -17.092 320 HB2 LYS 38 HB2 LYS 38 -8.280 -7.069 -16.009 321 HB3 LYS 38 HB3 LYS 38 -9.829 -6.829 -15.211 322 HG2 LYS 38 HG2 LYS 38 -10.453 -8.045 -17.048 323 HG3 LYS 38 HG3 LYS 38 -10.690 -6.397 -17.635 324 HD2 LYS 38 HD2 LYS 38 -9.503 -7.254 -19.387 325 HD3 LYS 38 HD3 LYS 38 -8.166 -6.691 -18.382 326 HE2 LYS 38 HE2 LYS 38 -7.621 -8.833 -17.686 327 HE3 LYS 38 HE3 LYS 38 -9.223 -9.470 -18.057 328 HZ1 LYS 38 HZ1 LYS 38 -6.918 -9.131 -19.785 329 HZ2 LYS 38 HZ2 LYS 38 -8.405 -8.721 -20.477 330 HZ3 LYS 38 HZ3 LYS 38 -8.164 -10.274 -19.852 331 H TRP 39 H TRP 39 -9.921 -4.168 -13.926 332 HA TRP 39 HA TRP 39 -12.646 -3.891 -14.555 333 HB2 TRP 39 HB2 TRP 39 -11.767 -4.021 -12.245 334 HB3 TRP 39 HB3 TRP 39 -11.058 -2.420 -12.440 335 HD1 TRP 39 HD1 TRP 39 -14.256 -4.145 -11.516 336 HE1 TRP 39 HE1 TRP 39 -16.070 -2.394 -10.998 337 HE3 TRP 39 HE3 TRP 39 -11.866 0.033 -13.239 338 HZ2 TRP 39 HZ2 TRP 39 -16.440 0.390 -11.284 339 HZ3 TRP 39 HZ3 TRP 39 -13.019 2.201 -13.081 340 HH2 TRP 39 HH2 TRP 39 -15.259 2.374 -12.123 341 H LEU 40 H LEU 40 -9.962 -1.595 -14.671 342 HA LEU 40 HA LEU 40 -11.485 0.702 -15.250 343 HB2 LEU 40 HB2 LEU 40 -8.655 -0.083 -15.359 344 HB3 LEU 40 HB3 LEU 40 -9.113 1.206 -16.470 345 HG LEU 40 HG LEU 40 -8.229 2.127 -14.409 346 HD11 LEU 40 HD11 LEU 40 -10.866 2.653 -15.437 347 HD12 LEU 40 HD12 LEU 40 -9.639 3.780 -14.859 348 HD13 LEU 40 HD13 LEU 40 -10.769 3.047 -13.721 349 HD21 LEU 40 HD21 LEU 40 -8.719 1.374 -12.366 350 HD22 LEU 40 HD22 LEU 40 -9.450 -0.009 -13.182 351 HD23 LEU 40 HD23 LEU 40 -10.452 1.358 -12.692 352 H LYS 41 H LYS 41 -9.392 -1.097 -17.512 353 HA LYS 41 HA LYS 41 -10.373 0.040 -19.846 354 HB2 LYS 41 HB2 LYS 41 -8.339 -1.521 -19.459 355 HB3 LYS 41 HB3 LYS 41 -9.481 -2.828 -19.743 356 HG2 LYS 41 HG2 LYS 41 -10.037 -1.743 -21.932 357 HG3 LYS 41 HG3 LYS 41 -8.692 -0.637 -21.645 358 HD2 LYS 41 HD2 LYS 41 -7.320 -2.818 -21.291 359 HD3 LYS 41 HD3 LYS 41 -8.648 -3.585 -22.167 360 HE2 LYS 41 HE2 LYS 41 -7.289 -1.144 -23.253 361 HE3 LYS 41 HE3 LYS 41 -6.594 -2.747 -23.492 362 HZ1 LYS 41 HZ1 LYS 41 -8.980 -1.565 -24.663 363 HZ2 LYS 41 HZ2 LYS 41 -9.093 -3.200 -24.245 364 HZ3 LYS 41 HZ3 LYS 41 -7.891 -2.682 -25.317 365 H ARG 42 H ARG 42 -11.657 -2.560 -17.901 366 HA ARG 42 HA ARG 42 -13.873 -2.857 -19.821 367 HB2 ARG 42 HB2 ARG 42 -13.095 -4.889 -17.735 368 HB3 ARG 42 HB3 ARG 42 -14.160 -5.109 -19.118 369 HG2 ARG 42 HG2 ARG 42 -12.071 -4.592 -20.532 370 HG3 ARG 42 HG3 ARG 42 -11.176 -4.930 -19.049 371 HD2 ARG 42 HD2 ARG 42 -11.304 -6.940 -20.368 372 HD3 ARG 42 HD3 ARG 42 -12.299 -7.132 -18.926 373 HE ARG 42 HE ARG 42 -13.759 -6.197 -21.217 374 HH11 ARG 42 HH11 ARG 42 -12.561 -9.000 -19.536 375 HH12 ARG 42 HH12 ARG 42 -13.747 -10.071 -20.206 376 HH21 ARG 42 HH21 ARG 42 -15.325 -7.596 -22.107 377 HH22 ARG 42 HH22 ARG 42 -15.318 -9.271 -21.669 378 H HIS 43 H HIS 43 -14.214 -0.742 -18.317 379 HA HIS 43 HA HIS 43 -15.228 -1.033 -15.735 380 HB2 HIS 43 HB2 HIS 43 -14.661 1.139 -16.792 381 HB3 HIS 43 HB3 HIS 43 -16.085 0.989 -17.816 382 HD1 HIS 43 HD1 HIS 43 -16.734 3.322 -16.630 383 HD2 HIS 43 HD2 HIS 43 -16.824 -0.063 -14.223 384 HE1 HIS 43 HE1 HIS 43 -18.087 3.968 -14.612 Start of MODEL 19 1 HCN FME 1 HF FME 1 -0.956 -1.107 3.749 2 HA FME 1 HA FME 1 -1.703 -0.191 -0.315 3 HB2 FME 1 HB2 FME 1 -0.610 2.125 0.028 4 HB3 FME 1 HB3 FME 1 -0.697 1.745 1.784 5 HG2 FME 1 HG2 FME 1 -3.264 1.231 1.330 6 HG3 FME 1 HG3 FME 1 -3.024 2.156 -0.195 7 HE1 FME 1 HE8 FME 1 -3.135 3.389 4.149 8 HE2 FME 1 HE2 FME 1 -1.400 3.057 3.751 9 HE3 FME 1 HE3 FME 1 -2.667 1.792 3.435 10 H GLY 2 H GLY 2 -0.589 -1.306 -1.587 11 HA2 GLY 2 HA2 GLY 2 2.098 -0.592 -2.120 12 HA3 GLY 2 HA3 GLY 2 2.052 -2.146 -1.299 13 H ALA 3 H ALA 3 -0.347 -3.129 -2.428 14 HA ALA 3 HA ALA 3 0.651 -4.222 -4.840 15 HB1 ALA 3 HB1 ALA 3 -2.251 -4.392 -4.379 16 HB2 ALA 3 HB2 ALA 3 -1.072 -5.665 -4.696 17 HB3 ALA 3 HB3 ALA 3 -1.232 -4.996 -3.072 18 H ILE 4 H ILE 4 -1.286 -1.442 -4.123 19 HA ILE 4 HA ILE 4 -2.650 -1.058 -6.512 20 HB ILE 4 HB ILE 4 -1.424 1.091 -4.779 21 HG12 ILE 4 HG12 ILE 4 -4.091 -0.324 -4.637 22 HG13 ILE 4 HG13 ILE 4 -2.818 -0.333 -3.422 23 HG21 ILE 4 HG21 ILE 4 -2.152 1.852 -7.010 24 HG22 ILE 4 HG22 ILE 4 -3.767 1.233 -6.670 25 HG23 ILE 4 HG23 ILE 4 -3.109 2.555 -5.706 26 HD11 ILE 4 HD11 ILE 4 -4.490 2.030 -4.240 27 HD12 ILE 4 HD12 ILE 4 -4.615 1.115 -2.737 28 HD13 ILE 4 HD13 ILE 4 -3.171 2.071 -3.070 29 H ALA 5 H ALA 5 0.719 -0.606 -5.757 30 HA ALA 5 HA ALA 5 1.556 1.122 -7.738 31 HB1 ALA 5 HB1 ALA 5 3.148 -1.315 -7.018 32 HB2 ALA 5 HB2 ALA 5 3.719 0.309 -7.405 33 HB3 ALA 5 HB3 ALA 5 2.907 0.002 -5.870 34 H LYS 6 H LYS 6 1.167 -2.407 -7.957 35 HA LYS 6 HA LYS 6 2.029 -2.750 -10.578 36 HB2 LYS 6 HB2 LYS 6 -0.172 -4.279 -9.178 37 HB3 LYS 6 HB3 LYS 6 0.750 -4.829 -10.571 38 HG2 LYS 6 HG2 LYS 6 2.757 -4.957 -9.270 39 HG3 LYS 6 HG3 LYS 6 1.958 -4.212 -7.884 40 HD2 LYS 6 HD2 LYS 6 0.453 -6.134 -7.718 41 HD3 LYS 6 HD3 LYS 6 1.243 -6.876 -9.111 42 HE2 LYS 6 HE2 LYS 6 2.203 -7.905 -7.225 43 HE3 LYS 6 HE3 LYS 6 3.398 -6.733 -7.778 44 HZ1 LYS 6 HZ1 LYS 6 3.278 -5.641 -5.864 45 HZ2 LYS 6 HZ2 LYS 6 2.396 -6.946 -5.247 46 HZ3 LYS 6 HZ3 LYS 6 1.586 -5.604 -5.882 47 H LEU 7 H LEU 7 -1.103 -1.741 -9.333 48 HA LEU 7 HA LEU 7 -2.420 -1.845 -11.874 49 HB2 LEU 7 HB2 LEU 7 -3.307 -0.212 -9.518 50 HB3 LEU 7 HB3 LEU 7 -4.295 -0.938 -10.784 51 HG LEU 7 HG LEU 7 -2.775 -2.585 -8.775 52 HD11 LEU 7 HD11 LEU 7 -4.780 -2.740 -7.458 53 HD12 LEU 7 HD12 LEU 7 -5.651 -1.705 -8.588 54 HD13 LEU 7 HD13 LEU 7 -4.332 -1.042 -7.623 55 HD21 LEU 7 HD21 LEU 7 -5.041 -3.923 -9.540 56 HD22 LEU 7 HD22 LEU 7 -3.426 -4.176 -10.204 57 HD23 LEU 7 HD23 LEU 7 -4.560 -3.102 -11.026 58 H VAL 8 H VAL 8 -0.837 0.653 -9.956 59 HA VAL 8 HA VAL 8 -1.603 2.848 -11.576 60 HB VAL 8 HB VAL 8 0.784 2.551 -9.747 61 HG11 VAL 8 HG11 VAL 8 -0.072 4.702 -11.517 62 HG12 VAL 8 HG12 VAL 8 0.130 5.218 -9.841 63 HG13 VAL 8 HG13 VAL 8 1.470 4.454 -10.699 64 HG21 VAL 8 HG21 VAL 8 -0.549 3.027 -8.013 65 HG22 VAL 8 HG22 VAL 8 -1.441 4.251 -8.915 66 HG23 VAL 8 HG23 VAL 8 -1.872 2.549 -9.077 67 H ALA 9 H ALA 9 0.829 0.413 -11.883 68 HA ALA 9 HA ALA 9 2.695 1.715 -13.508 69 HB1 ALA 9 HB1 ALA 9 1.976 -1.084 -12.930 70 HB2 ALA 9 HB2 ALA 9 2.839 -0.805 -14.443 71 HB3 ALA 9 HB3 ALA 9 3.549 -0.287 -12.914 72 H LYS 10 H LYS 10 -0.511 0.683 -14.175 73 HA LYS 10 HA LYS 10 -0.082 1.156 -17.053 74 HB2 LYS 10 HB2 LYS 10 -2.306 -0.461 -15.802 75 HB3 LYS 10 HB3 LYS 10 -1.950 -0.302 -17.517 76 HG2 LYS 10 HG2 LYS 10 -0.044 -1.527 -15.541 77 HG3 LYS 10 HG3 LYS 10 -1.232 -2.455 -16.459 78 HD2 LYS 10 HD2 LYS 10 -0.225 -1.570 -18.551 79 HD3 LYS 10 HD3 LYS 10 1.020 -0.785 -17.576 80 HE2 LYS 10 HE2 LYS 10 1.948 -2.824 -18.352 81 HE3 LYS 10 HE3 LYS 10 1.569 -3.059 -16.646 82 HZ1 LYS 10 HZ1 LYS 10 0.911 -4.864 -18.340 83 HZ2 LYS 10 HZ2 LYS 10 -0.380 -3.837 -18.713 84 HZ3 LYS 10 HZ3 LYS 10 -0.200 -4.431 -17.139 85 H PHE 11 H PHE 11 -1.906 1.971 -14.215 86 HA PHE 11 HA PHE 11 -3.826 3.573 -15.688 87 HB2 PHE 11 HB2 PHE 11 -3.409 3.133 -12.726 88 HB3 PHE 11 HB3 PHE 11 -4.682 4.144 -13.402 89 HD1 PHE 11 HD2 PHE 11 -5.537 2.525 -15.708 90 HD2 PHE 11 HD1 PHE 11 -4.536 1.366 -11.736 91 HE1 PHE 11 HE2 PHE 11 -6.990 0.551 -15.921 92 HE2 PHE 11 HE1 PHE 11 -5.987 -0.610 -11.944 93 HZ PHE 11 HZ PHE 11 -7.217 -1.019 -14.038 94 H GLY 12 H GLY 12 -1.511 4.243 -13.050 95 HA2 GLY 12 HA2 GLY 12 0.149 6.010 -13.372 96 HA3 GLY 12 HA3 GLY 12 -1.072 6.896 -14.273 97 H TRP 13 H TRP 13 0.158 8.260 -12.351 98 HA TRP 13 HA TRP 13 -1.004 8.053 -9.774 99 HB2 TRP 13 HB2 TRP 13 0.027 10.664 -10.803 100 HB3 TRP 13 HB3 TRP 13 0.238 9.922 -9.219 101 HD1 TRP 13 HD1 TRP 13 2.199 10.736 -12.130 102 HE1 TRP 13 HE1 TRP 13 4.318 9.285 -12.300 103 HE3 TRP 13 HE3 TRP 13 0.943 7.071 -8.795 104 HZ2 TRP 13 HZ2 TRP 13 5.324 6.902 -11.171 105 HZ3 TRP 13 HZ3 TRP 13 2.539 5.241 -8.397 106 HH2 TRP 13 HH2 TRP 13 4.683 5.160 -9.562 107 HA PRO 14 HA PRO 14 -3.829 11.688 -11.292 108 HB2 PRO 14 HB2 PRO 14 -3.986 12.059 -13.977 109 HB3 PRO 14 HB3 PRO 14 -2.797 12.884 -12.961 110 HG2 PRO 14 HG2 PRO 14 -2.462 10.453 -14.676 111 HG3 PRO 14 HG3 PRO 14 -1.379 11.843 -14.481 112 HD2 PRO 14 HD2 PRO 14 -0.962 9.483 -13.220 113 HD3 PRO 14 HD3 PRO 14 -0.501 11.042 -12.506 114 H PHE 15 H PHE 15 -3.564 8.563 -12.575 115 HA PHE 15 HA PHE 15 -6.373 8.499 -13.415 116 HB2 PHE 15 HB2 PHE 15 -4.289 7.499 -14.733 117 HB3 PHE 15 HB3 PHE 15 -4.601 6.118 -13.688 118 HD1 PHE 15 HD2 PHE 15 -6.760 4.934 -13.816 119 HD2 PHE 15 HD1 PHE 15 -5.732 8.041 -16.537 120 HE1 PHE 15 HE2 PHE 15 -8.541 4.185 -15.338 121 HE2 PHE 15 HE1 PHE 15 -7.513 7.297 -18.064 122 HZ PHE 15 HZ PHE 15 -8.919 5.366 -17.466 123 H ILE 16 H ILE 16 -4.073 6.852 -11.280 124 HA ILE 16 HA ILE 16 -5.917 5.042 -10.149 125 HB ILE 16 HB ILE 16 -3.427 4.847 -9.990 126 HG12 ILE 16 HG12 ILE 16 -3.490 4.146 -7.505 127 HG13 ILE 16 HG13 ILE 16 -5.172 4.663 -7.544 128 HG21 ILE 16 HG21 ILE 16 -2.944 7.170 -9.407 129 HG22 ILE 16 HG22 ILE 16 -3.743 6.948 -7.851 130 HG23 ILE 16 HG23 ILE 16 -2.266 6.058 -8.218 131 HD11 ILE 16 HD11 ILE 16 -3.865 2.402 -8.998 132 HD12 ILE 16 HD12 ILE 16 -5.279 2.384 -7.943 133 HD13 ILE 16 HD13 ILE 16 -5.392 3.087 -9.556 134 H LYS 17 H LYS 17 -5.163 8.376 -9.475 135 HA LYS 17 HA LYS 17 -6.420 8.467 -6.909 136 HB2 LYS 17 HB2 LYS 17 -6.045 10.808 -6.974 137 HB3 LYS 17 HB3 LYS 17 -4.657 10.071 -7.764 138 HG2 LYS 17 HG2 LYS 17 -5.041 11.641 -9.319 139 HG3 LYS 17 HG3 LYS 17 -6.250 10.491 -9.895 140 HD2 LYS 17 HD2 LYS 17 -7.574 12.335 -9.749 141 HD3 LYS 17 HD3 LYS 17 -7.737 11.763 -8.087 142 HE2 LYS 17 HE2 LYS 17 -6.377 13.412 -7.245 143 HE3 LYS 17 HE3 LYS 17 -5.499 13.612 -8.760 144 HZ1 LYS 17 HZ1 LYS 17 -8.299 14.480 -8.287 145 HZ2 LYS 17 HZ2 LYS 17 -7.406 14.723 -9.702 146 HZ3 LYS 17 HZ3 LYS 17 -6.949 15.500 -8.270 147 H LYS 18 H LYS 18 -7.551 8.494 -10.132 148 HA LYS 18 HA LYS 18 -9.999 9.917 -9.610 149 HB2 LYS 18 HB2 LYS 18 -8.739 8.580 -11.933 150 HB3 LYS 18 HB3 LYS 18 -10.498 8.629 -11.929 151 HG2 LYS 18 HG2 LYS 18 -9.145 11.168 -11.301 152 HG3 LYS 18 HG3 LYS 18 -8.945 10.568 -12.949 153 HD2 LYS 18 HD2 LYS 18 -10.883 11.707 -13.258 154 HD3 LYS 18 HD3 LYS 18 -11.578 10.191 -12.678 155 HE2 LYS 18 HE2 LYS 18 -12.626 11.969 -11.484 156 HE3 LYS 18 HE3 LYS 18 -11.533 11.150 -10.369 157 HZ1 LYS 18 HZ1 LYS 18 -10.491 13.446 -11.848 158 HZ2 LYS 18 HZ2 LYS 18 -10.145 12.927 -10.276 159 HZ3 LYS 18 HZ3 LYS 18 -11.583 13.758 -10.595 160 H PHE 19 H PHE 19 -8.886 6.661 -9.371 161 HA PHE 19 HA PHE 19 -11.603 5.820 -8.624 162 HB2 PHE 19 HB2 PHE 19 -9.653 4.004 -10.040 163 HB3 PHE 19 HB3 PHE 19 -11.364 3.725 -9.730 164 HD1 PHE 19 HD2 PHE 19 -8.930 5.471 -11.826 165 HD2 PHE 19 HD1 PHE 19 -13.061 4.745 -11.105 166 HE1 PHE 19 HE2 PHE 19 -9.477 6.408 -14.034 167 HE2 PHE 19 HE1 PHE 19 -13.615 5.681 -13.312 168 HZ PHE 19 HZ PHE 19 -11.821 6.515 -14.780 169 H TYR 20 H TYR 20 -9.196 6.701 -7.102 170 HA TYR 20 HA TYR 20 -8.007 4.456 -5.853 171 HB2 TYR 20 HB2 TYR 20 -7.206 6.908 -5.885 172 HB3 TYR 20 HB3 TYR 20 -8.312 7.145 -4.537 173 HD1 TYR 20 HD2 TYR 20 -5.583 4.818 -5.593 174 HD2 TYR 20 HD1 TYR 20 -7.471 6.905 -2.402 175 HE1 TYR 20 HE2 TYR 20 -3.859 3.996 -4.044 176 HE2 TYR 20 HE1 TYR 20 -5.751 6.090 -0.844 177 HH TYR 20 HH TYR 20 -2.997 4.184 -1.981 178 H LYS 21 H LYS 21 -10.999 6.129 -5.382 179 HA LYS 21 HA LYS 21 -11.513 5.307 -2.716 180 HB2 LYS 21 HB2 LYS 21 -13.067 6.517 -4.930 181 HB3 LYS 21 HB3 LYS 21 -13.995 5.655 -3.709 182 HG2 LYS 21 HG2 LYS 21 -12.929 7.052 -1.970 183 HG3 LYS 21 HG3 LYS 21 -12.117 7.962 -3.246 184 HD2 LYS 21 HD2 LYS 21 -13.940 9.297 -2.975 185 HD3 LYS 21 HD3 LYS 21 -14.614 8.161 -4.147 186 HE2 LYS 21 HE2 LYS 21 -16.261 8.224 -2.528 187 HE3 LYS 21 HE3 LYS 21 -15.321 6.813 -2.043 188 HZ1 LYS 21 HZ1 LYS 21 -14.079 8.789 -0.720 189 HZ2 LYS 21 HZ2 LYS 21 -15.298 7.819 -0.061 190 HZ3 LYS 21 HZ3 LYS 21 -15.678 9.341 -0.694 191 H GLN 22 H GLN 22 -11.743 3.728 -5.775 192 HA GLN 22 HA GLN 22 -13.296 1.533 -4.589 193 HB2 GLN 22 HB2 GLN 22 -12.626 1.866 -7.508 194 HB3 GLN 22 HB3 GLN 22 -13.868 0.847 -6.792 195 HG2 GLN 22 HG2 GLN 22 -15.146 2.564 -7.560 196 HG3 GLN 22 HG3 GLN 22 -14.802 3.141 -5.930 197 HE21 GLN 22 HE21 GLN 22 -14.033 3.486 -9.316 198 HE22 GLN 22 HE22 GLN 22 -13.300 5.045 -9.193 199 H ILE 23 H ILE 23 -10.509 2.029 -6.760 200 HA ILE 23 HA ILE 23 -9.520 -0.541 -6.796 201 HB ILE 23 HB ILE 23 -7.902 2.009 -6.753 202 HG12 ILE 23 HG12 ILE 23 -8.832 0.397 -9.133 203 HG13 ILE 23 HG13 ILE 23 -9.694 1.805 -8.523 204 HG21 ILE 23 HG21 ILE 23 -6.452 0.165 -6.312 205 HG22 ILE 23 HG22 ILE 23 -7.191 -0.793 -7.594 206 HG23 ILE 23 HG23 ILE 23 -6.231 0.629 -7.999 207 HD11 ILE 23 HD11 ILE 23 -6.926 1.719 -9.688 208 HD12 ILE 23 HD12 ILE 23 -8.360 2.495 -10.361 209 HD13 ILE 23 HD13 ILE 23 -7.617 3.133 -8.894 210 H MET 24 H MET 24 -8.464 2.056 -4.584 211 HA MET 24 HA MET 24 -6.787 0.507 -2.996 212 HB2 MET 24 HB2 MET 24 -7.015 3.024 -2.990 213 HB3 MET 24 HB3 MET 24 -8.453 2.818 -1.998 214 HG2 MET 24 HG2 MET 24 -5.970 1.494 -1.082 215 HG3 MET 24 HG3 MET 24 -6.048 3.251 -0.969 216 HE1 MET 24 HE1 MET 24 -7.133 4.528 0.312 217 HE2 MET 24 HE2 MET 24 -8.647 4.233 1.168 218 HE3 MET 24 HE3 MET 24 -7.105 3.988 1.991 219 H GLN 25 H GLN 25 -10.236 0.665 -3.097 220 HA GLN 25 HA GLN 25 -10.602 -0.555 -0.501 221 HB2 GLN 25 HB2 GLN 25 -12.352 0.529 -2.626 222 HB3 GLN 25 HB3 GLN 25 -13.028 -0.780 -1.665 223 HG2 GLN 25 HG2 GLN 25 -12.208 0.652 0.350 224 HG3 GLN 25 HG3 GLN 25 -12.220 1.963 -0.829 225 HE21 GLN 25 HE21 GLN 25 -14.181 -0.458 0.773 226 HE22 GLN 25 HE22 GLN 25 -15.698 0.331 0.525 227 H PHE 26 H PHE 26 -10.348 -1.551 -3.819 228 HA PHE 26 HA PHE 26 -11.479 -4.152 -3.450 229 HB2 PHE 26 HB2 PHE 26 -9.799 -2.933 -5.641 230 HB3 PHE 26 HB3 PHE 26 -10.362 -4.601 -5.691 231 HD1 PHE 26 HD1 PHE 26 -13.076 -4.374 -4.635 232 HD2 PHE 26 HD2 PHE 26 -10.956 -1.832 -7.311 233 HE1 PHE 26 HE1 PHE 26 -15.208 -3.625 -5.608 234 HE2 PHE 26 HE2 PHE 26 -13.084 -1.079 -8.287 235 HZ PHE 26 HZ PHE 26 -15.214 -1.974 -7.436 236 H ILE 27 H ILE 27 -8.280 -2.759 -3.222 237 HA ILE 27 HA ILE 27 -6.758 -5.114 -3.278 238 HB ILE 27 HB ILE 27 -6.185 -2.561 -1.768 239 HG12 ILE 27 HG12 ILE 27 -6.542 -2.238 -4.195 240 HG13 ILE 27 HG13 ILE 27 -4.876 -1.922 -3.722 241 HG21 ILE 27 HG21 ILE 27 -4.623 -5.035 -2.251 242 HG22 ILE 27 HG22 ILE 27 -3.766 -3.497 -2.337 243 HG23 ILE 27 HG23 ILE 27 -4.623 -3.947 -0.863 244 HD11 ILE 27 HD11 ILE 27 -4.123 -3.448 -5.134 245 HD12 ILE 27 HD12 ILE 27 -5.218 -4.673 -4.490 246 HD13 ILE 27 HD13 ILE 27 -5.765 -3.582 -5.763 247 H GLY 28 H GLY 28 -7.961 -3.271 -0.466 248 HA2 GLY 28 HA2 GLY 28 -7.065 -5.034 1.509 249 HA3 GLY 28 HA3 GLY 28 -8.419 -3.928 1.684 250 H GLN 29 H GLN 29 -9.672 -5.366 -0.712 251 HA GLN 29 HA GLN 29 -11.167 -7.246 0.869 252 HB2 GLN 29 HB2 GLN 29 -12.399 -5.941 -0.708 253 HB3 GLN 29 HB3 GLN 29 -11.328 -6.406 -2.024 254 HG2 GLN 29 HG2 GLN 29 -13.415 -7.581 -2.218 255 HG3 GLN 29 HG3 GLN 29 -12.126 -8.720 -1.831 256 HE21 GLN 29 HE21 GLN 29 -14.109 -9.992 -1.273 257 HE22 GLN 29 HE22 GLN 29 -14.691 -9.873 0.349 258 H GLY 30 H GLY 30 -8.551 -7.379 -1.401 259 HA2 GLY 30 HA2 GLY 30 -7.134 -9.363 -1.306 260 HA3 GLY 30 HA3 GLY 30 -8.602 -10.324 -1.197 261 H TRP 31 H TRP 31 -8.606 -7.663 -3.380 262 HA TRP 31 HA TRP 31 -8.958 -9.443 -5.613 263 HB2 TRP 31 HB2 TRP 31 -9.100 -6.478 -5.213 264 HB3 TRP 31 HB3 TRP 31 -8.991 -7.126 -6.847 265 HD1 TRP 31 HD1 TRP 31 -11.000 -9.056 -4.253 266 HE1 TRP 31 HE1 TRP 31 -13.497 -8.924 -4.864 267 HE3 TRP 31 HE3 TRP 31 -10.732 -5.608 -8.018 268 HZ2 TRP 31 HZ2 TRP 31 -15.136 -7.542 -6.700 269 HZ3 TRP 31 HZ3 TRP 31 -12.810 -4.936 -9.151 270 HH2 TRP 31 HH2 TRP 31 -14.965 -5.884 -8.505 271 H THR 32 H THR 32 -7.553 -9.906 -7.220 272 HA THR 32 HA THR 32 -4.772 -9.350 -6.782 273 HB THR 32 HB THR 32 -4.333 -10.760 -8.682 274 HG1 THR 32 HG1 THR 32 -7.127 -10.862 -9.198 275 HG21 THR 32 HG21 THR 32 -5.312 -11.710 -6.463 276 HG22 THR 32 HG22 THR 32 -5.159 -12.768 -7.866 277 HG23 THR 32 HG23 THR 32 -6.725 -12.073 -7.452 278 H ILE 33 H ILE 33 -3.620 -8.996 -9.172 279 HA ILE 33 HA ILE 33 -4.026 -6.225 -9.676 280 HB ILE 33 HB ILE 33 -2.379 -8.225 -11.229 281 HG12 ILE 33 HG12 ILE 33 -0.617 -6.671 -9.857 282 HG13 ILE 33 HG13 ILE 33 -1.954 -6.737 -8.714 283 HG21 ILE 33 HG21 ILE 33 -1.353 -5.582 -11.368 284 HG22 ILE 33 HG22 ILE 33 -1.954 -6.600 -12.676 285 HG23 ILE 33 HG23 ILE 33 -3.060 -5.534 -11.810 286 HD11 ILE 33 HD11 ILE 33 0.051 -8.648 -9.147 287 HD12 ILE 33 HD12 ILE 33 -1.348 -8.763 -8.080 288 HD13 ILE 33 HD13 ILE 33 -1.452 -9.354 -9.738 289 H ASP 34 H ASP 34 -4.710 -9.172 -11.527 290 HA ASP 34 HA ASP 34 -5.694 -7.890 -13.835 291 HB2 ASP 34 HB2 ASP 34 -6.437 -10.619 -12.760 292 HB3 ASP 34 HB3 ASP 34 -6.654 -10.058 -14.416 293 H GLN 35 H GLN 35 -7.149 -8.651 -10.765 294 HA GLN 35 HA GLN 35 -9.850 -8.555 -11.410 295 HB2 GLN 35 HB2 GLN 35 -8.238 -8.122 -8.972 296 HB3 GLN 35 HB3 GLN 35 -9.843 -7.402 -8.958 297 HG2 GLN 35 HG2 GLN 35 -9.323 -10.291 -9.604 298 HG3 GLN 35 HG3 GLN 35 -9.688 -9.698 -7.985 299 HE21 GLN 35 HE21 GLN 35 -10.928 -10.397 -11.128 300 HE22 GLN 35 HE22 GLN 35 -12.599 -10.168 -10.754 301 H ILE 36 H ILE 36 -7.796 -5.871 -10.270 302 HA ILE 36 HA ILE 36 -9.818 -3.914 -10.825 303 HB ILE 36 HB ILE 36 -6.888 -3.532 -10.196 304 HG12 ILE 36 HG12 ILE 36 -8.125 -2.756 -7.965 305 HG13 ILE 36 HG13 ILE 36 -9.330 -3.908 -8.529 306 HG21 ILE 36 HG21 ILE 36 -7.615 -1.544 -11.214 307 HG22 ILE 36 HG22 ILE 36 -9.183 -1.608 -10.411 308 HG23 ILE 36 HG23 ILE 36 -7.731 -1.238 -9.482 309 HD11 ILE 36 HD11 ILE 36 -8.116 -5.611 -7.813 310 HD12 ILE 36 HD12 ILE 36 -6.697 -5.042 -8.694 311 HD13 ILE 36 HD13 ILE 36 -7.024 -4.444 -7.067 312 H GLU 37 H GLU 37 -6.710 -4.797 -12.308 313 HA GLU 37 HA GLU 37 -6.588 -2.897 -14.305 314 HB2 GLU 37 HB2 GLU 37 -5.647 -5.745 -14.168 315 HB3 GLU 37 HB3 GLU 37 -5.418 -4.798 -15.632 316 HG2 GLU 37 HG2 GLU 37 -4.435 -3.970 -12.913 317 HG3 GLU 37 HG3 GLU 37 -3.460 -4.824 -14.108 318 H LYS 38 H LYS 38 -8.600 -5.734 -14.088 319 HA LYS 38 HA LYS 38 -9.540 -5.385 -16.835 320 HB2 LYS 38 HB2 LYS 38 -8.995 -7.665 -15.978 321 HB3 LYS 38 HB3 LYS 38 -10.305 -7.502 -14.816 322 HG2 LYS 38 HG2 LYS 38 -11.903 -7.290 -16.663 323 HG3 LYS 38 HG3 LYS 38 -10.581 -7.489 -17.816 324 HD2 LYS 38 HD2 LYS 38 -10.334 -9.719 -17.355 325 HD3 LYS 38 HD3 LYS 38 -10.935 -9.555 -15.703 326 HE2 LYS 38 HE2 LYS 38 -13.206 -9.097 -16.712 327 HE3 LYS 38 HE3 LYS 38 -12.524 -9.594 -18.260 328 HZ1 LYS 38 HZ1 LYS 38 -13.212 -11.611 -17.622 329 HZ2 LYS 38 HZ2 LYS 38 -13.294 -11.199 -15.984 330 HZ3 LYS 38 HZ3 LYS 38 -11.811 -11.631 -16.674 331 H TRP 39 H TRP 39 -10.526 -4.916 -13.532 332 HA TRP 39 HA TRP 39 -13.311 -4.616 -14.033 333 HB2 TRP 39 HB2 TRP 39 -12.525 -5.134 -11.798 334 HB3 TRP 39 HB3 TRP 39 -11.587 -3.644 -11.746 335 HD1 TRP 39 HD1 TRP 39 -15.020 -5.012 -11.069 336 HE1 TRP 39 HE1 TRP 39 -16.548 -3.127 -10.211 337 HE3 TRP 39 HE3 TRP 39 -12.003 -1.005 -12.062 338 HZ2 TRP 39 HZ2 TRP 39 -16.484 -0.314 -9.986 339 HZ3 TRP 39 HZ3 TRP 39 -12.811 1.249 -11.495 340 HH2 TRP 39 HH2 TRP 39 -15.006 1.585 -10.479 341 H LEU 40 H LEU 40 -10.561 -2.460 -14.128 342 HA LEU 40 HA LEU 40 -12.296 -0.144 -14.540 343 HB2 LEU 40 HB2 LEU 40 -10.470 0.167 -13.000 344 HB3 LEU 40 HB3 LEU 40 -9.312 -0.392 -14.206 345 HG LEU 40 HG LEU 40 -9.632 1.598 -15.515 346 HD11 LEU 40 HD11 LEU 40 -12.035 1.879 -15.111 347 HD12 LEU 40 HD12 LEU 40 -11.140 3.376 -14.847 348 HD13 LEU 40 HD13 LEU 40 -11.688 2.421 -13.469 349 HD21 LEU 40 HD21 LEU 40 -8.646 1.583 -12.848 350 HD22 LEU 40 HD22 LEU 40 -9.402 3.147 -13.154 351 HD23 LEU 40 HD23 LEU 40 -8.118 2.565 -14.215 352 H LYS 41 H LYS 41 -9.593 -1.812 -16.142 353 HA LYS 41 HA LYS 41 -9.004 -1.998 -18.331 354 HB2 LYS 41 HB2 LYS 41 -11.562 -2.528 -18.400 355 HB3 LYS 41 HB3 LYS 41 -11.686 -0.950 -19.168 356 HG2 LYS 41 HG2 LYS 41 -10.550 -1.628 -21.053 357 HG3 LYS 41 HG3 LYS 41 -9.741 -2.955 -20.216 358 HD2 LYS 41 HD2 LYS 41 -11.310 -4.076 -21.492 359 HD3 LYS 41 HD3 LYS 41 -12.151 -3.901 -19.950 360 HE2 LYS 41 HE2 LYS 41 -12.951 -1.639 -21.091 361 HE3 LYS 41 HE3 LYS 41 -12.646 -2.568 -22.557 362 HZ1 LYS 41 HZ1 LYS 41 -14.195 -3.852 -20.436 363 HZ2 LYS 41 HZ2 LYS 41 -14.336 -3.997 -22.116 364 HZ3 LYS 41 HZ3 LYS 41 -14.959 -2.634 -21.330 365 H ARG 42 H ARG 42 -8.700 0.541 -16.861 366 HA ARG 42 HA ARG 42 -8.004 2.677 -17.219 367 HB2 ARG 42 HB2 ARG 42 -7.481 1.429 -19.909 368 HB3 ARG 42 HB3 ARG 42 -7.086 3.111 -19.578 369 HG2 ARG 42 HG2 ARG 42 -5.400 2.570 -18.111 370 HG3 ARG 42 HG3 ARG 42 -6.084 0.985 -17.745 371 HD2 ARG 42 HD2 ARG 42 -5.168 0.010 -19.593 372 HD3 ARG 42 HD3 ARG 42 -5.210 1.501 -20.533 373 HE ARG 42 HE ARG 42 -3.335 1.549 -18.352 374 HH11 ARG 42 HH11 ARG 42 -3.840 0.685 -21.687 375 HH12 ARG 42 HH12 ARG 42 -2.159 0.769 -22.099 376 HH21 ARG 42 HH21 ARG 42 -1.119 1.663 -18.882 377 HH22 ARG 42 HH22 ARG 42 -0.612 1.325 -20.503 378 H HIS 43 H HIS 43 -10.756 2.327 -17.301 379 HA HIS 43 HA HIS 43 -12.137 3.291 -19.487 380 HB2 HIS 43 HB2 HIS 43 -12.618 3.188 -16.575 381 HB3 HIS 43 HB3 HIS 43 -13.571 4.381 -17.454 382 HD1 HIS 43 HD1 HIS 43 -12.734 1.238 -19.236 383 HD2 HIS 43 HD2 HIS 43 -15.870 2.784 -16.991 384 HE1 HIS 43 HE1 HIS 43 -14.675 -0.308 -19.639 Start of MODEL 20 1 HCN FME 1 HF FME 1 -3.656 -2.655 2.461 2 HA FME 1 HA FME 1 -2.768 -0.718 -0.510 3 HB2 FME 1 HB2 FME 1 -3.065 1.491 0.385 4 HB3 FME 1 HB3 FME 1 -1.591 1.389 -0.642 5 HG2 FME 1 HG2 FME 1 -0.923 2.746 1.214 6 HG3 FME 1 HG3 FME 1 -0.235 1.127 1.597 7 HE1 FME 1 HE8 FME 1 -1.089 3.827 2.978 8 HE2 FME 1 HE2 FME 1 -1.936 3.530 4.551 9 HE3 FME 1 HE3 FME 1 -2.892 3.968 3.068 10 H GLY 2 H GLY 2 -1.799 -2.830 -0.483 11 HA2 GLY 2 HA2 GLY 2 1.139 -2.606 -0.692 12 HA3 GLY 2 HA3 GLY 2 0.282 -4.102 -0.353 13 H ALA 3 H ALA 3 -1.785 -3.376 -2.401 14 HA ALA 3 HA ALA 3 -0.289 -4.384 -4.702 15 HB1 ALA 3 HB1 ALA 3 -3.148 -4.447 -3.872 16 HB2 ALA 3 HB2 ALA 3 -2.757 -4.573 -5.588 17 HB3 ALA 3 HB3 ALA 3 -2.109 -5.752 -4.447 18 H ILE 4 H ILE 4 -0.276 -1.535 -3.789 19 HA ILE 4 HA ILE 4 -1.610 -0.190 -6.016 20 HB ILE 4 HB ILE 4 -0.010 1.194 -3.885 21 HG12 ILE 4 HG12 ILE 4 -1.569 -0.262 -2.703 22 HG13 ILE 4 HG13 ILE 4 -2.099 1.412 -2.578 23 HG21 ILE 4 HG21 ILE 4 -1.690 1.978 -6.087 24 HG22 ILE 4 HG22 ILE 4 -2.305 2.628 -4.568 25 HG23 ILE 4 HG23 ILE 4 -0.647 2.966 -5.065 26 HD11 ILE 4 HD11 ILE 4 -3.204 -0.592 -4.530 27 HD12 ILE 4 HD12 ILE 4 -3.939 -0.170 -2.983 28 HD13 ILE 4 HD13 ILE 4 -3.787 1.048 -4.249 29 H ALA 5 H ALA 5 0.741 -1.903 -6.417 30 HA ALA 5 HA ALA 5 2.623 0.117 -7.449 31 HB1 ALA 5 HB1 ALA 5 3.894 -2.403 -7.371 32 HB2 ALA 5 HB2 ALA 5 4.244 -0.972 -6.400 33 HB3 ALA 5 HB3 ALA 5 3.091 -2.173 -5.817 34 H LYS 6 H LYS 6 1.032 -2.972 -8.089 35 HA LYS 6 HA LYS 6 2.053 -3.213 -10.750 36 HB2 LYS 6 HB2 LYS 6 -0.362 -4.580 -9.554 37 HB3 LYS 6 HB3 LYS 6 0.553 -5.095 -10.965 38 HG2 LYS 6 HG2 LYS 6 1.760 -4.902 -8.221 39 HG3 LYS 6 HG3 LYS 6 0.985 -6.365 -8.836 40 HD2 LYS 6 HD2 LYS 6 2.577 -6.127 -10.836 41 HD3 LYS 6 HD3 LYS 6 3.471 -4.995 -9.818 42 HE2 LYS 6 HE2 LYS 6 4.406 -7.241 -9.660 43 HE3 LYS 6 HE3 LYS 6 3.729 -6.729 -8.115 44 HZ1 LYS 6 HZ1 LYS 6 3.219 -9.079 -8.977 45 HZ2 LYS 6 HZ2 LYS 6 2.109 -8.315 -9.999 46 HZ3 LYS 6 HZ3 LYS 6 1.952 -8.169 -8.321 47 H LEU 7 H LEU 7 -0.760 -1.764 -9.284 48 HA LEU 7 HA LEU 7 -2.128 -1.388 -11.802 49 HB2 LEU 7 HB2 LEU 7 -2.831 0.030 -9.263 50 HB3 LEU 7 HB3 LEU 7 -3.887 -0.492 -10.574 51 HG LEU 7 HG LEU 7 -2.523 -2.392 -8.673 52 HD11 LEU 7 HD11 LEU 7 -4.801 -2.589 -7.652 53 HD12 LEU 7 HD12 LEU 7 -5.257 -1.139 -8.545 54 HD13 LEU 7 HD13 LEU 7 -3.975 -1.062 -7.337 55 HD21 LEU 7 HD21 LEU 7 -4.705 -3.660 -9.586 56 HD22 LEU 7 HD22 LEU 7 -3.126 -3.764 -10.364 57 HD23 LEU 7 HD23 LEU 7 -4.343 -2.647 -10.984 58 H VAL 8 H VAL 8 -0.470 0.667 -9.426 59 HA VAL 8 HA VAL 8 -0.819 3.091 -10.839 60 HB VAL 8 HB VAL 8 1.316 2.346 -8.834 61 HG11 VAL 8 HG11 VAL 8 0.961 4.693 -10.448 62 HG12 VAL 8 HG12 VAL 8 0.768 5.094 -8.741 63 HG13 VAL 8 HG13 VAL 8 2.245 4.308 -9.302 64 HG21 VAL 8 HG21 VAL 8 -0.082 3.108 -7.149 65 HG22 VAL 8 HG22 VAL 8 -1.103 4.015 -8.264 66 HG23 VAL 8 HG23 VAL 8 -1.200 2.255 -8.214 67 H ALA 9 H ALA 9 1.585 0.552 -10.998 68 HA ALA 9 HA ALA 9 3.666 1.801 -12.306 69 HB1 ALA 9 HB1 ALA 9 2.676 -0.950 -12.091 70 HB2 ALA 9 HB2 ALA 9 3.650 -0.629 -13.526 71 HB3 ALA 9 HB3 ALA 9 4.312 -0.313 -11.922 72 H LYS 10 H LYS 10 0.541 0.873 -13.543 73 HA LYS 10 HA LYS 10 1.353 1.653 -16.258 74 HB2 LYS 10 HB2 LYS 10 -1.212 0.293 -15.424 75 HB3 LYS 10 HB3 LYS 10 -0.593 0.488 -17.059 76 HG2 LYS 10 HG2 LYS 10 0.732 -1.146 -14.904 77 HG3 LYS 10 HG3 LYS 10 -0.310 -1.794 -16.173 78 HD2 LYS 10 HD2 LYS 10 2.159 -0.180 -16.768 79 HD3 LYS 10 HD3 LYS 10 2.194 -1.934 -16.574 80 HE2 LYS 10 HE2 LYS 10 0.924 -2.297 -18.481 81 HE3 LYS 10 HE3 LYS 10 0.255 -0.666 -18.466 82 HZ1 LYS 10 HZ1 LYS 10 2.761 -0.045 -18.836 83 HZ2 LYS 10 HZ2 LYS 10 1.767 -0.472 -20.136 84 HZ3 LYS 10 HZ3 LYS 10 2.834 -1.608 -19.480 85 H PHE 11 H PHE 11 -1.030 2.288 -13.730 86 HA PHE 11 HA PHE 11 -2.373 4.331 -15.236 87 HB2 PHE 11 HB2 PHE 11 -2.512 3.629 -12.296 88 HB3 PHE 11 HB3 PHE 11 -3.583 4.761 -13.117 89 HD1 PHE 11 HD2 PHE 11 -4.126 3.345 -15.631 90 HD2 PHE 11 HD1 PHE 11 -3.881 1.881 -11.641 91 HE1 PHE 11 HE2 PHE 11 -5.631 1.491 -16.222 92 HE2 PHE 11 HE1 PHE 11 -5.385 0.024 -12.227 93 HZ PHE 11 HZ PHE 11 -6.263 -0.173 -14.519 94 H GLY 12 H GLY 12 -0.840 4.627 -12.035 95 HA2 GLY 12 HA2 GLY 12 1.134 6.120 -11.846 96 HA3 GLY 12 HA3 GLY 12 0.293 7.201 -12.948 97 H TRP 13 H TRP 13 1.100 8.397 -10.774 98 HA TRP 13 HA TRP 13 -0.622 8.209 -8.526 99 HB2 TRP 13 HB2 TRP 13 0.804 10.756 -9.156 100 HB3 TRP 13 HB3 TRP 13 0.619 9.926 -7.613 101 HD1 TRP 13 HD1 TRP 13 3.195 10.685 -10.034 102 HE1 TRP 13 HE1 TRP 13 5.198 9.082 -9.831 103 HE3 TRP 13 HE3 TRP 13 1.032 7.043 -7.171 104 HZ2 TRP 13 HZ2 TRP 13 5.784 6.601 -8.619 105 HZ3 TRP 13 HZ3 TRP 13 2.382 5.087 -6.534 106 HH2 TRP 13 HH2 TRP 13 4.709 4.872 -7.244 107 HA PRO 14 HA PRO 14 -2.735 12.123 -10.451 108 HB2 PRO 14 HB2 PRO 14 -2.243 12.597 -13.078 109 HB3 PRO 14 HB3 PRO 14 -1.259 13.279 -11.779 110 HG2 PRO 14 HG2 PRO 14 -0.730 10.887 -13.500 111 HG3 PRO 14 HG3 PRO 14 0.385 12.170 -12.993 112 HD2 PRO 14 HD2 PRO 14 0.318 9.742 -11.797 113 HD3 PRO 14 HD3 PRO 14 0.723 11.229 -10.916 114 H PHE 15 H PHE 15 -2.423 9.033 -11.810 115 HA PHE 15 HA PHE 15 -4.965 9.243 -13.258 116 HB2 PHE 15 HB2 PHE 15 -2.726 8.122 -14.142 117 HB3 PHE 15 HB3 PHE 15 -3.350 6.735 -13.256 118 HD1 PHE 15 HD1 PHE 15 -5.529 5.747 -13.888 119 HD2 PHE 15 HD2 PHE 15 -3.676 8.803 -16.200 120 HE1 PHE 15 HE1 PHE 15 -6.983 5.184 -15.792 121 HE2 PHE 15 HE2 PHE 15 -5.127 8.245 -18.106 122 HZ PHE 15 HZ PHE 15 -6.784 6.434 -17.904 123 H ILE 16 H ILE 16 -3.334 7.224 -10.831 124 HA ILE 16 HA ILE 16 -5.525 5.581 -10.222 125 HB ILE 16 HB ILE 16 -3.162 5.146 -9.533 126 HG12 ILE 16 HG12 ILE 16 -5.150 5.116 -7.252 127 HG13 ILE 16 HG13 ILE 16 -5.115 3.940 -8.561 128 HG21 ILE 16 HG21 ILE 16 -2.776 7.482 -8.702 129 HG22 ILE 16 HG22 ILE 16 -3.724 7.058 -7.278 130 HG23 ILE 16 HG23 ILE 16 -2.220 6.204 -7.621 131 HD11 ILE 16 HD11 ILE 16 -4.013 3.333 -6.330 132 HD12 ILE 16 HD12 ILE 16 -3.129 2.997 -7.819 133 HD13 ILE 16 HD13 ILE 16 -2.711 4.406 -6.844 134 H LYS 17 H LYS 17 -4.669 8.794 -9.173 135 HA LYS 17 HA LYS 17 -6.310 8.962 -6.892 136 HB2 LYS 17 HB2 LYS 17 -5.969 11.308 -6.988 137 HB3 LYS 17 HB3 LYS 17 -4.488 10.576 -7.591 138 HG2 LYS 17 HG2 LYS 17 -4.728 12.115 -9.212 139 HG3 LYS 17 HG3 LYS 17 -5.800 10.897 -9.907 140 HD2 LYS 17 HD2 LYS 17 -7.694 12.066 -9.375 141 HD3 LYS 17 HD3 LYS 17 -6.954 12.838 -7.971 142 HE2 LYS 17 HE2 LYS 17 -5.495 14.073 -9.703 143 HE3 LYS 17 HE3 LYS 17 -6.712 13.560 -10.871 144 HZ1 LYS 17 HZ1 LYS 17 -6.861 15.594 -8.833 145 HZ2 LYS 17 HZ2 LYS 17 -8.214 14.582 -8.887 146 HZ3 LYS 17 HZ3 LYS 17 -7.741 15.434 -10.269 147 H LYS 18 H LYS 18 -7.036 8.989 -10.255 148 HA LYS 18 HA LYS 18 -9.534 10.362 -10.088 149 HB2 LYS 18 HB2 LYS 18 -7.888 9.533 -12.141 150 HB3 LYS 18 HB3 LYS 18 -9.263 8.447 -12.285 151 HG2 LYS 18 HG2 LYS 18 -9.886 11.310 -11.931 152 HG3 LYS 18 HG3 LYS 18 -9.149 10.842 -13.465 153 HD2 LYS 18 HD2 LYS 18 -10.919 9.045 -13.622 154 HD3 LYS 18 HD3 LYS 18 -11.713 9.827 -12.252 155 HE2 LYS 18 HE2 LYS 18 -10.962 11.436 -14.655 156 HE3 LYS 18 HE3 LYS 18 -12.408 10.430 -14.695 157 HZ1 LYS 18 HZ1 LYS 18 -13.029 12.600 -13.991 158 HZ2 LYS 18 HZ2 LYS 18 -11.821 12.642 -12.808 159 HZ3 LYS 18 HZ3 LYS 18 -13.133 11.588 -12.639 160 H PHE 19 H PHE 19 -8.489 7.104 -9.559 161 HA PHE 19 HA PHE 19 -11.239 6.369 -8.867 162 HB2 PHE 19 HB2 PHE 19 -9.383 4.732 -10.603 163 HB3 PHE 19 HB3 PHE 19 -10.867 4.111 -9.888 164 HD1 PHE 19 HD2 PHE 19 -13.056 5.092 -10.574 165 HD2 PHE 19 HD1 PHE 19 -9.414 6.020 -12.572 166 HE1 PHE 19 HE2 PHE 19 -14.332 5.917 -12.508 167 HE2 PHE 19 HE1 PHE 19 -10.685 6.847 -14.510 168 HZ PHE 19 HZ PHE 19 -13.147 6.795 -14.480 169 H TYR 20 H TYR 20 -9.225 7.153 -7.111 170 HA TYR 20 HA TYR 20 -7.881 4.865 -6.025 171 HB2 TYR 20 HB2 TYR 20 -7.032 7.216 -5.843 172 HB3 TYR 20 HB3 TYR 20 -8.343 7.552 -4.718 173 HD1 TYR 20 HD1 TYR 20 -5.762 4.871 -5.139 174 HD2 TYR 20 HD2 TYR 20 -7.700 7.599 -2.512 175 HE1 TYR 20 HE1 TYR 20 -4.365 4.065 -3.282 176 HE2 TYR 20 HE2 TYR 20 -6.308 6.802 -0.648 177 HH TYR 20 HH TYR 20 -3.599 4.712 -1.139 178 H LYS 21 H LYS 21 -10.956 6.381 -5.584 179 HA LYS 21 HA LYS 21 -11.538 5.382 -2.992 180 HB2 LYS 21 HB2 LYS 21 -12.749 7.271 -4.029 181 HB3 LYS 21 HB3 LYS 21 -13.444 6.164 -5.206 182 HG2 LYS 21 HG2 LYS 21 -15.152 6.304 -3.700 183 HG3 LYS 21 HG3 LYS 21 -14.282 4.906 -3.065 184 HD2 LYS 21 HD2 LYS 21 -14.577 6.141 -1.148 185 HD3 LYS 21 HD3 LYS 21 -12.998 6.725 -1.678 186 HE2 LYS 21 HE2 LYS 21 -15.469 8.118 -2.607 187 HE3 LYS 21 HE3 LYS 21 -14.876 8.408 -0.973 188 HZ1 LYS 21 HZ1 LYS 21 -12.633 8.692 -2.369 189 HZ2 LYS 21 HZ2 LYS 21 -13.672 9.978 -2.012 190 HZ3 LYS 21 HZ3 LYS 21 -13.752 9.221 -3.522 191 H GLN 22 H GLN 22 -11.766 4.050 -6.203 192 HA GLN 22 HA GLN 22 -13.289 1.748 -5.259 193 HB2 GLN 22 HB2 GLN 22 -12.228 2.186 -8.045 194 HB3 GLN 22 HB3 GLN 22 -13.545 1.136 -7.541 195 HG2 GLN 22 HG2 GLN 22 -13.509 4.118 -7.784 196 HG3 GLN 22 HG3 GLN 22 -14.596 2.955 -8.541 197 HE21 GLN 22 HE21 GLN 22 -14.848 5.363 -6.644 198 HE22 GLN 22 HE22 GLN 22 -15.941 4.797 -5.432 199 H ILE 23 H ILE 23 -10.227 2.345 -6.986 200 HA ILE 23 HA ILE 23 -9.219 -0.221 -6.980 201 HB ILE 23 HB ILE 23 -7.653 2.338 -6.629 202 HG12 ILE 23 HG12 ILE 23 -8.033 0.831 -9.201 203 HG13 ILE 23 HG13 ILE 23 -9.239 1.994 -8.662 204 HG21 ILE 23 HG21 ILE 23 -6.275 0.465 -6.039 205 HG22 ILE 23 HG22 ILE 23 -6.785 -0.420 -7.476 206 HG23 ILE 23 HG23 ILE 23 -5.795 1.029 -7.639 207 HD11 ILE 23 HD11 ILE 23 -6.460 2.438 -9.607 208 HD12 ILE 23 HD12 ILE 23 -7.943 3.313 -9.992 209 HD13 ILE 23 HD13 ILE 23 -7.149 3.563 -8.437 210 H MET 24 H MET 24 -8.519 2.302 -4.552 211 HA MET 24 HA MET 24 -7.055 0.714 -2.802 212 HB2 MET 24 HB2 MET 24 -7.221 3.184 -2.674 213 HB3 MET 24 HB3 MET 24 -8.868 3.022 -2.079 214 HG2 MET 24 HG2 MET 24 -7.406 3.434 -0.232 215 HG3 MET 24 HG3 MET 24 -8.005 1.780 -0.131 216 HE1 MET 24 HE1 MET 24 -5.413 2.205 1.726 217 HE2 MET 24 HE2 MET 24 -6.492 0.852 1.389 218 HE3 MET 24 HE3 MET 24 -4.747 0.651 1.224 219 H GLN 25 H GLN 25 -10.464 0.851 -3.368 220 HA GLN 25 HA GLN 25 -11.166 -0.478 -0.899 221 HB2 GLN 25 HB2 GLN 25 -12.646 0.587 -3.252 222 HB3 GLN 25 HB3 GLN 25 -13.421 -0.674 -2.302 223 HG2 GLN 25 HG2 GLN 25 -12.364 1.904 -1.166 224 HG3 GLN 25 HG3 GLN 25 -14.042 1.625 -1.629 225 HE21 GLN 25 HE21 GLN 25 -13.304 2.360 0.936 226 HE22 GLN 25 HE22 GLN 25 -13.631 1.050 2.013 227 H PHE 26 H PHE 26 -10.406 -1.346 -4.169 228 HA PHE 26 HA PHE 26 -11.545 -3.973 -4.058 229 HB2 PHE 26 HB2 PHE 26 -9.627 -2.629 -5.958 230 HB3 PHE 26 HB3 PHE 26 -10.103 -4.315 -6.137 231 HD1 PHE 26 HD1 PHE 26 -12.932 -4.277 -5.495 232 HD2 PHE 26 HD2 PHE 26 -10.605 -1.472 -7.694 233 HE1 PHE 26 HE1 PHE 26 -14.944 -3.578 -6.726 234 HE2 PHE 26 HE2 PHE 26 -12.614 -0.768 -8.928 235 HZ PHE 26 HZ PHE 26 -14.787 -1.820 -8.444 236 H ILE 27 H ILE 27 -8.370 -2.569 -3.490 237 HA ILE 27 HA ILE 27 -6.916 -4.977 -3.320 238 HB ILE 27 HB ILE 27 -6.345 -2.370 -1.905 239 HG12 ILE 27 HG12 ILE 27 -6.560 -2.019 -4.304 240 HG13 ILE 27 HG13 ILE 27 -4.865 -1.913 -3.839 241 HG21 ILE 27 HG21 ILE 27 -4.676 -4.805 -2.466 242 HG22 ILE 27 HG22 ILE 27 -3.963 -3.234 -2.104 243 HG23 ILE 27 HG23 ILE 27 -4.998 -4.027 -0.917 244 HD11 ILE 27 HD11 ILE 27 -4.445 -3.342 -5.476 245 HD12 ILE 27 HD12 ILE 27 -5.236 -4.579 -4.498 246 HD13 ILE 27 HD13 ILE 27 -6.159 -3.686 -5.706 247 H GLY 28 H GLY 28 -8.432 -2.970 -0.800 248 HA2 GLY 28 HA2 GLY 28 -7.687 -4.628 1.368 249 HA3 GLY 28 HA3 GLY 28 -8.979 -3.437 1.382 250 H GLN 29 H GLN 29 -10.159 -4.934 -1.009 251 HA GLN 29 HA GLN 29 -11.856 -6.643 0.568 252 HB2 GLN 29 HB2 GLN 29 -12.921 -5.340 -1.128 253 HB3 GLN 29 HB3 GLN 29 -11.813 -5.926 -2.362 254 HG2 GLN 29 HG2 GLN 29 -13.954 -6.985 -2.621 255 HG3 GLN 29 HG3 GLN 29 -12.759 -8.179 -2.116 256 HE21 GLN 29 HE21 GLN 29 -14.400 -9.539 -1.360 257 HE22 GLN 29 HE22 GLN 29 -15.230 -9.222 0.122 258 H GLY 30 H GLY 30 -9.229 -7.034 -1.705 259 HA2 GLY 30 HA2 GLY 30 -7.883 -9.058 -1.475 260 HA3 GLY 30 HA3 GLY 30 -9.383 -9.949 -1.258 261 H TRP 31 H TRP 31 -9.261 -7.461 -3.654 262 HA TRP 31 HA TRP 31 -9.854 -9.342 -5.730 263 HB2 TRP 31 HB2 TRP 31 -9.656 -6.383 -5.505 264 HB3 TRP 31 HB3 TRP 31 -9.465 -7.081 -7.111 265 HD1 TRP 31 HD1 TRP 31 -11.892 -8.691 -4.647 266 HE1 TRP 31 HE1 TRP 31 -14.294 -8.345 -5.505 267 HE3 TRP 31 HE3 TRP 31 -10.921 -5.490 -8.513 268 HZ2 TRP 31 HZ2 TRP 31 -15.604 -6.906 -7.549 269 HZ3 TRP 31 HZ3 TRP 31 -12.804 -4.675 -9.872 270 HH2 TRP 31 HH2 TRP 31 -15.096 -5.370 -9.398 271 H THR 32 H THR 32 -8.623 -9.858 -7.545 272 HA THR 32 HA THR 32 -5.810 -10.038 -7.094 273 HB THR 32 HB THR 32 -5.681 -11.270 -9.126 274 HG1 THR 32 HG1 THR 32 -7.097 -11.044 -10.753 275 HG21 THR 32 HG21 THR 32 -6.779 -12.495 -7.356 276 HG22 THR 32 HG22 THR 32 -7.538 -12.903 -8.895 277 HG23 THR 32 HG23 THR 32 -8.336 -11.788 -7.785 278 H ILE 33 H ILE 33 -4.236 -9.424 -8.867 279 HA ILE 33 HA ILE 33 -4.351 -6.605 -9.252 280 HB ILE 33 HB ILE 33 -2.431 -8.575 -10.499 281 HG12 ILE 33 HG12 ILE 33 -1.071 -7.362 -8.469 282 HG13 ILE 33 HG13 ILE 33 -2.682 -7.484 -7.771 283 HG21 ILE 33 HG21 ILE 33 -2.376 -6.442 -11.615 284 HG22 ILE 33 HG22 ILE 33 -2.269 -5.596 -10.072 285 HG23 ILE 33 HG23 ILE 33 -0.932 -6.607 -10.618 286 HD11 ILE 33 HD11 ILE 33 -1.888 -9.951 -9.042 287 HD12 ILE 33 HD12 ILE 33 -0.735 -9.444 -7.807 288 HD13 ILE 33 HD13 ILE 33 -2.437 -9.652 -7.393 289 H ASP 34 H ASP 34 -5.269 -9.337 -11.155 290 HA ASP 34 HA ASP 34 -5.356 -7.828 -13.635 291 HB2 ASP 34 HB2 ASP 34 -5.798 -10.677 -12.860 292 HB3 ASP 34 HB3 ASP 34 -6.542 -10.090 -14.345 293 H GLN 35 H GLN 35 -7.214 -7.825 -10.989 294 HA GLN 35 HA GLN 35 -9.800 -7.894 -12.330 295 HB2 GLN 35 HB2 GLN 35 -8.940 -7.673 -9.459 296 HB3 GLN 35 HB3 GLN 35 -10.594 -7.318 -9.938 297 HG2 GLN 35 HG2 GLN 35 -9.431 -9.881 -10.856 298 HG3 GLN 35 HG3 GLN 35 -9.818 -9.725 -9.143 299 HE21 GLN 35 HE21 GLN 35 -12.006 -9.158 -8.577 300 HE22 GLN 35 HE22 GLN 35 -13.306 -9.633 -9.611 301 H ILE 36 H ILE 36 -7.737 -5.604 -10.581 302 HA ILE 36 HA ILE 36 -9.516 -3.395 -10.950 303 HB ILE 36 HB ILE 36 -6.590 -3.409 -10.201 304 HG12 ILE 36 HG12 ILE 36 -7.840 -2.769 -7.930 305 HG13 ILE 36 HG13 ILE 36 -9.125 -3.718 -8.668 306 HG21 ILE 36 HG21 ILE 36 -6.733 -1.216 -10.614 307 HG22 ILE 36 HG22 ILE 36 -8.492 -1.257 -10.712 308 HG23 ILE 36 HG23 ILE 36 -7.700 -1.141 -9.141 309 HD11 ILE 36 HD11 ILE 36 -7.985 -5.665 -8.471 310 HD12 ILE 36 HD12 ILE 36 -6.408 -4.890 -8.636 311 HD13 ILE 36 HD13 ILE 36 -7.283 -4.794 -7.108 312 H GLU 37 H GLU 37 -6.340 -4.215 -12.354 313 HA GLU 37 HA GLU 37 -6.115 -2.130 -14.146 314 HB2 GLU 37 HB2 GLU 37 -5.089 -4.929 -14.088 315 HB3 GLU 37 HB3 GLU 37 -4.909 -4.013 -15.577 316 HG2 GLU 37 HG2 GLU 37 -4.053 -2.763 -13.019 317 HG3 GLU 37 HG3 GLU 37 -3.039 -4.011 -13.741 318 H LYS 38 H LYS 38 -8.096 -4.991 -14.337 319 HA LYS 38 HA LYS 38 -8.821 -4.458 -17.109 320 HB2 LYS 38 HB2 LYS 38 -9.549 -6.660 -15.179 321 HB3 LYS 38 HB3 LYS 38 -10.280 -6.511 -16.771 322 HG2 LYS 38 HG2 LYS 38 -7.318 -6.527 -16.601 323 HG3 LYS 38 HG3 LYS 38 -8.178 -8.045 -16.333 324 HD2 LYS 38 HD2 LYS 38 -8.656 -6.284 -18.728 325 HD3 LYS 38 HD3 LYS 38 -7.464 -7.585 -18.713 326 HE2 LYS 38 HE2 LYS 38 -9.469 -9.033 -17.892 327 HE3 LYS 38 HE3 LYS 38 -10.447 -7.738 -18.581 328 HZ1 LYS 38 HZ1 LYS 38 -8.310 -9.040 -20.150 329 HZ2 LYS 38 HZ2 LYS 38 -9.643 -8.159 -20.706 330 HZ3 LYS 38 HZ3 LYS 38 -9.862 -9.708 -20.064 331 H TRP 39 H TRP 39 -10.031 -3.989 -13.898 332 HA TRP 39 HA TRP 39 -12.769 -3.658 -14.510 333 HB2 TRP 39 HB2 TRP 39 -12.115 -4.012 -12.226 334 HB3 TRP 39 HB3 TRP 39 -11.077 -2.590 -12.247 335 HD1 TRP 39 HD1 TRP 39 -14.666 -3.657 -11.722 336 HE1 TRP 39 HE1 TRP 39 -16.059 -1.621 -10.988 337 HE3 TRP 39 HE3 TRP 39 -11.224 0.027 -12.564 338 HZ2 TRP 39 HZ2 TRP 39 -15.741 1.177 -10.793 339 HZ3 TRP 39 HZ3 TRP 39 -11.848 2.357 -12.079 340 HH2 TRP 39 HH2 TRP 39 -14.060 2.919 -11.212 341 H LEU 40 H LEU 40 -10.044 -1.417 -14.437 342 HA LEU 40 HA LEU 40 -11.706 0.866 -15.038 343 HB2 LEU 40 HB2 LEU 40 -9.834 1.340 -13.700 344 HB3 LEU 40 HB3 LEU 40 -8.749 0.439 -14.757 345 HG LEU 40 HG LEU 40 -8.903 2.178 -16.443 346 HD11 LEU 40 HD11 LEU 40 -11.242 2.839 -15.933 347 HD12 LEU 40 HD12 LEU 40 -10.140 4.205 -16.109 348 HD13 LEU 40 HD13 LEU 40 -10.649 3.684 -14.502 349 HD21 LEU 40 HD21 LEU 40 -7.239 3.235 -15.424 350 HD22 LEU 40 HD22 LEU 40 -7.686 2.414 -13.928 351 HD23 LEU 40 HD23 LEU 40 -8.356 4.004 -14.297 352 H LYS 41 H LYS 41 -9.458 -1.241 -16.759 353 HA LYS 41 HA LYS 41 -9.301 0.163 -19.167 354 HB2 LYS 41 HB2 LYS 41 -7.993 -1.916 -18.384 355 HB3 LYS 41 HB3 LYS 41 -9.344 -2.843 -19.025 356 HG2 LYS 41 HG2 LYS 41 -8.032 -0.815 -20.766 357 HG3 LYS 41 HG3 LYS 41 -7.230 -2.362 -20.485 358 HD2 LYS 41 HD2 LYS 41 -10.070 -2.617 -21.120 359 HD3 LYS 41 HD3 LYS 41 -9.125 -1.868 -22.409 360 HE2 LYS 41 HE2 LYS 41 -9.217 -4.287 -22.688 361 HE3 LYS 41 HE3 LYS 41 -7.569 -3.754 -22.363 362 HZ1 LYS 41 HZ1 LYS 41 -9.387 -4.806 -20.270 363 HZ2 LYS 41 HZ2 LYS 41 -7.727 -4.510 -20.135 364 HZ3 LYS 41 HZ3 LYS 41 -8.284 -5.770 -21.116 365 H ARG 42 H ARG 42 -11.841 -1.796 -17.843 366 HA ARG 42 HA ARG 42 -13.229 -2.212 -20.314 367 HB2 ARG 42 HB2 ARG 42 -13.955 -2.581 -17.418 368 HB3 ARG 42 HB3 ARG 42 -15.146 -2.795 -18.694 369 HG2 ARG 42 HG2 ARG 42 -13.945 -4.607 -19.635 370 HG3 ARG 42 HG3 ARG 42 -12.535 -4.279 -18.627 371 HD2 ARG 42 HD2 ARG 42 -13.533 -6.072 -17.547 372 HD3 ARG 42 HD3 ARG 42 -14.146 -4.684 -16.649 373 HE ARG 42 HE ARG 42 -16.247 -5.244 -17.332 374 HH11 ARG 42 HH11 ARG 42 -13.947 -6.734 -19.479 375 HH12 ARG 42 HH12 ARG 42 -15.147 -7.621 -20.359 376 HH21 ARG 42 HH21 ARG 42 -17.836 -6.407 -18.484 377 HH22 ARG 42 HH22 ARG 42 -17.359 -7.434 -19.793 378 H HIS 43 H HIS 43 -13.390 0.132 -17.693 379 HA HIS 43 HA HIS 43 -15.790 1.391 -18.373 380 HB2 HIS 43 HB2 HIS 43 -13.346 2.191 -16.863 381 HB3 HIS 43 HB3 HIS 43 -14.482 3.455 -17.326 382 HD1 HIS 43 HD1 HIS 43 -17.142 2.532 -16.690 383 HD2 HIS 43 HD2 HIS 43 -13.905 1.350 -14.370 384 HE1 HIS 43 HE1 HIS 43 -18.118 1.834 -14.481
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