NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586556 | 2mxv | 25433 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 3.309 21.511 -5.167 2 HA2 GLY 1 1HA GLY 1 0.786 22.771 -5.506 3 HA3 GLY 1 2HA GLY 1 0.793 21.291 -6.458 4 H HIS 2 H HIS 2 -0.641 20.108 -5.219 5 HA HIS 2 HA HIS 2 -0.565 19.937 -2.363 6 HB2 HIS 2 2HB HIS 2 -2.247 18.105 -2.651 7 HB3 HIS 2 1HB HIS 2 -2.667 19.553 -3.554 8 HD1 HIS 2 1HD HIS 2 -3.364 19.144 -5.898 9 HD2 HIS 2 2HD HIS 2 -0.981 16.055 -4.476 10 HE1 HIS 2 1HE HIS 2 -3.351 17.405 -7.698 11 HE2 HIS 2 2HE HIS 2 -1.869 15.579 -6.839 12 H MET 3 H MET 3 -0.145 17.990 -1.101 13 HA MET 3 HA MET 3 1.352 15.797 -2.214 14 HB2 MET 3 2HB MET 3 3.366 16.143 -0.712 15 HB3 MET 3 1HB MET 3 3.235 17.256 -2.061 16 HG2 MET 3 2HG MET 3 2.194 18.908 -0.362 17 HG3 MET 3 1HG MET 3 2.812 17.811 0.871 18 HE1 MET 3 3HE MET 3 3.718 20.310 -2.018 19 HE2 MET 3 1HE MET 3 4.408 18.802 -2.626 20 HE3 MET 3 2HE MET 3 5.468 20.114 -2.115 21 HA PRO 4 HA PRO 4 -1.267 14.582 1.421 22 HB2 PRO 4 2HB PRO 4 -2.135 12.208 0.303 23 HB3 PRO 4 1HB PRO 4 -2.924 13.768 -0.009 24 HG2 PRO 4 2HG PRO 4 -0.921 12.307 -1.715 25 HG3 PRO 4 1HG PRO 4 -2.434 13.113 -2.196 26 HD2 PRO 4 2HD PRO 4 -0.023 14.325 -2.515 27 HD3 PRO 4 1HD PRO 4 -1.485 15.254 -2.116 28 H LYS 5 H LYS 5 1.085 12.823 -0.533 29 HA LYS 5 HA LYS 5 2.615 11.221 -0.162 30 HB2 LYS 5 2HB LYS 5 2.815 12.849 2.392 31 HB3 LYS 5 1HB LYS 5 3.942 11.539 2.038 32 HG2 LYS 5 2HG LYS 5 3.501 14.010 0.322 33 HG3 LYS 5 1HG LYS 5 4.876 13.723 1.399 34 HD2 LYS 5 2HD LYS 5 5.558 11.769 0.042 35 HD3 LYS 5 1HD LYS 5 4.161 11.986 -1.014 36 HE2 LYS 5 2HE LYS 5 5.061 14.132 -1.783 37 HE3 LYS 5 1HE LYS 5 6.435 13.965 -0.684 38 HZ1 LYS 5 3HZ LYS 5 7.065 11.942 -1.882 39 HZ2 LYS 5 1HZ LYS 5 7.049 13.293 -2.900 40 HZ3 LYS 5 2HZ LYS 5 5.786 12.172 -2.964 41 H ILE 6 H ILE 6 -0.033 10.467 0.363 42 HA ILE 6 HA ILE 6 0.057 8.442 2.428 43 HB ILE 6 HB ILE 6 -2.093 9.511 1.839 44 HG12 ILE 6 2HG1 ILE 6 -2.205 6.546 1.110 45 HG13 ILE 6 1HG1 ILE 6 -2.025 7.153 2.750 46 HG21 ILE 6 1HG2 ILE 6 -1.865 8.182 -0.879 47 HG22 ILE 6 2HG2 ILE 6 -1.739 9.912 -0.551 48 HG23 ILE 6 3HG2 ILE 6 -3.266 9.073 -0.272 49 HD11 ILE 6 3HD1 ILE 6 -4.314 6.540 2.332 50 HD12 ILE 6 1HD1 ILE 6 -4.399 7.628 0.945 51 HD13 ILE 6 2HD1 ILE 6 -4.194 8.281 2.573 52 H ASN 7 H ASN 7 0.641 8.745 -1.035 53 HA ASN 7 HA ASN 7 1.378 5.973 -1.431 54 HB2 ASN 7 2HB ASN 7 1.936 8.398 -3.196 55 HB3 ASN 7 1HB ASN 7 2.186 6.716 -3.654 56 HD21 ASN 7 1HD2 ASN 7 0.782 6.810 -5.399 57 HD22 ASN 7 2HD2 ASN 7 -0.927 6.974 -5.235 58 H GLU 8 H GLU 8 2.714 5.973 0.469 59 HA GLU 8 HA GLU 8 5.489 6.943 0.085 60 HB2 GLU 8 2HB GLU 8 3.777 8.256 1.738 61 HB3 GLU 8 1HB GLU 8 4.245 6.984 2.852 62 HG2 GLU 8 2HG GLU 8 6.228 8.818 1.467 63 HG3 GLU 8 1HG GLU 8 5.502 9.193 3.024 64 H ASP 9 H ASP 9 3.735 4.381 -0.026 65 HA ASP 9 HA ASP 9 3.862 2.180 0.306 66 HB2 ASP 9 2HB ASP 9 6.374 2.774 -0.341 67 HB3 ASP 9 1HB ASP 9 6.714 2.318 1.325 68 H TRP 10 H TRP 10 4.504 0.408 2.025 69 HA TRP 10 HA TRP 10 4.899 1.199 4.713 70 HB2 TRP 10 2HB TRP 10 2.685 0.285 5.617 71 HB3 TRP 10 1HB TRP 10 2.584 1.841 4.807 72 HD1 TRP 10 HD TRP 10 1.356 1.870 2.332 73 HE1 TRP 10 1HE TRP 10 -0.429 0.306 1.357 74 HE3 TRP 10 3HE TRP 10 1.902 -2.089 5.515 75 HZ2 TRP 10 2HZ TRP 10 -1.481 -2.256 1.863 76 HZ3 TRP 10 3HZ TRP 10 0.472 -4.054 5.204 77 HH2 TRP 10 HH TRP 10 -1.177 -4.145 3.410 78 H LEU 11 H LEU 11 5.968 -0.395 5.590 79 HA LEU 11 HA LEU 11 6.307 -2.908 4.198 80 HB2 LEU 11 2HB LEU 11 8.094 -1.372 5.442 81 HB3 LEU 11 1HB LEU 11 7.580 -2.234 6.875 82 HG LEU 11 HG LEU 11 9.680 -3.133 5.851 83 HD11 LEU 11 1HD1 LEU 11 9.144 -5.506 5.939 84 HD12 LEU 11 2HD1 LEU 11 7.419 -5.137 5.841 85 HD13 LEU 11 3HD1 LEU 11 8.358 -4.620 7.243 86 HD21 LEU 11 3HD2 LEU 11 7.929 -3.965 3.513 87 HD22 LEU 11 1HD2 LEU 11 9.638 -4.349 3.735 88 HD23 LEU 11 2HD2 LEU 11 9.136 -2.678 3.490 89 H CYS 12 H CYS 12 5.004 -4.607 4.593 90 HA CYS 12 HA CYS 12 2.977 -4.712 6.530 91 HB2 CYS 12 2HB CYS 12 2.740 -6.015 4.503 92 HB3 CYS 12 1HB CYS 12 4.237 -6.884 4.812 93 H ASN 13 H ASN 13 2.695 -6.112 8.320 94 HA ASN 13 HA ASN 13 5.089 -6.492 9.970 95 HB2 ASN 13 2HB ASN 13 3.404 -6.887 11.825 96 HB3 ASN 13 1HB ASN 13 3.304 -5.309 11.060 97 HD21 ASN 13 1HD2 ASN 13 1.171 -5.025 11.807 98 HD22 ASN 13 2HD2 ASN 13 -0.172 -5.857 11.097 99 H LYS 14 H LYS 14 3.272 -8.383 7.880 100 HA LYS 14 HA LYS 14 4.082 -10.911 9.198 101 HB2 LYS 14 2HB LYS 14 1.586 -10.337 7.568 102 HB3 LYS 14 1HB LYS 14 2.113 -11.962 8.000 103 HG2 LYS 14 2HG LYS 14 1.831 -11.489 10.372 104 HG3 LYS 14 1HG LYS 14 1.459 -9.796 10.030 105 HD2 LYS 14 2HD LYS 14 -0.219 -12.167 9.101 106 HD3 LYS 14 1HD LYS 14 -0.582 -11.169 10.515 107 HE2 LYS 14 2HE LYS 14 -0.862 -9.198 9.096 108 HE3 LYS 14 1HE LYS 14 -0.378 -10.119 7.672 109 HZ1 LYS 14 3HZ LYS 14 -2.747 -9.894 7.777 110 HZ2 LYS 14 1HZ LYS 14 -2.794 -10.597 9.312 111 HZ3 LYS 14 2HZ LYS 14 -2.321 -11.515 7.975 112 H CYS 15 H CYS 15 2.965 -9.892 5.835 113 HA CYS 15 HA CYS 15 4.705 -11.867 4.658 114 HB2 CYS 15 2HB CYS 15 3.911 -10.986 2.525 115 HB3 CYS 15 1HB CYS 15 2.567 -11.227 3.634 116 H GLY 16 H GLY 16 4.888 -8.469 5.382 117 HA2 GLY 16 2HA GLY 16 6.669 -7.052 5.580 118 HA3 GLY 16 1HA GLY 16 7.740 -8.407 5.249 119 H VAL 17 H VAL 17 5.182 -7.351 3.063 120 HA VAL 17 HA VAL 17 7.145 -7.133 0.927 121 HB VAL 17 HB VAL 17 5.250 -6.937 -0.621 122 HG11 VAL 17 1HG1 VAL 17 4.828 -9.154 1.408 123 HG12 VAL 17 2HG1 VAL 17 5.957 -9.179 0.051 124 HG13 VAL 17 3HG1 VAL 17 4.219 -9.142 -0.250 125 HG21 VAL 17 3HG2 VAL 17 2.899 -7.046 0.156 126 HG22 VAL 17 1HG2 VAL 17 3.702 -5.581 0.727 127 HG23 VAL 17 2HG2 VAL 17 3.444 -6.931 1.832 128 H GLN 18 H GLN 18 7.633 -5.353 -0.263 129 HA GLN 18 HA GLN 18 6.702 -2.677 0.424 130 HB2 GLN 18 2HB GLN 18 9.061 -3.003 -0.217 131 HB3 GLN 18 1HB GLN 18 8.593 -3.760 -1.729 132 HG2 GLN 18 2HG GLN 18 7.798 -0.893 -1.188 133 HG3 GLN 18 1HG GLN 18 9.443 -1.264 -1.697 134 HE21 GLN 18 1HE2 GLN 18 8.702 -3.431 -3.494 135 HE22 GLN 18 2HE2 GLN 18 7.960 -2.696 -4.869 136 H ASN 19 H ASN 19 4.812 -1.964 -0.413 137 HA ASN 19 HA ASN 19 3.439 -3.657 -2.420 138 HB2 ASN 19 2HB ASN 19 1.353 -2.804 -1.437 139 HB3 ASN 19 1HB ASN 19 2.387 -3.470 -0.181 140 HD21 ASN 19 1HD2 ASN 19 3.536 -1.988 1.175 141 HD22 ASN 19 2HD2 ASN 19 2.908 -0.406 1.457 142 H PHE 20 H PHE 20 1.421 -1.918 -3.255 143 HA PHE 20 HA PHE 20 2.849 -0.295 -5.192 144 HB2 PHE 20 2HB PHE 20 0.936 -1.700 -5.877 145 HB3 PHE 20 1HB PHE 20 -0.125 -0.841 -4.768 146 HD1 PHE 20 2HD PHE 20 2.313 0.114 -7.478 147 HD2 PHE 20 1HD PHE 20 -1.615 0.616 -5.840 148 HE1 PHE 20 2HE PHE 20 1.767 1.734 -9.256 149 HE2 PHE 20 1HE PHE 20 -2.143 2.243 -7.621 150 HZ PHE 20 HZ PHE 20 -0.455 2.791 -9.328 151 H LYS 21 H LYS 21 2.521 0.429 -2.189 152 HA LYS 21 HA LYS 21 2.747 2.220 -0.910 153 HB2 LYS 21 2HB LYS 21 2.798 3.924 -3.430 154 HB3 LYS 21 1HB LYS 21 3.487 4.328 -1.854 155 HG2 LYS 21 2HG LYS 21 4.999 2.288 -2.139 156 HG3 LYS 21 1HG LYS 21 4.426 2.206 -3.804 157 HD2 LYS 21 2HD LYS 21 5.316 4.523 -4.159 158 HD3 LYS 21 1HD LYS 21 5.979 4.476 -2.516 159 HE2 LYS 21 2HE LYS 21 6.744 2.728 -4.881 160 HE3 LYS 21 1HE LYS 21 7.772 3.853 -3.991 161 HZ1 LYS 21 3HZ LYS 21 7.554 2.391 -2.040 162 HZ2 LYS 21 1HZ LYS 21 8.263 1.598 -3.350 163 HZ3 LYS 21 2HZ LYS 21 6.651 1.290 -2.949 164 H ARG 22 H ARG 22 0.014 1.856 -2.737 165 HA ARG 22 HA ARG 22 -1.500 4.063 -1.491 166 HB2 ARG 22 2HB ARG 22 -1.126 4.339 -3.930 167 HB3 ARG 22 1HB ARG 22 -1.838 2.762 -4.233 168 HG2 ARG 22 2HG ARG 22 -3.400 4.548 -4.769 169 HG3 ARG 22 1HG ARG 22 -4.020 3.584 -3.435 170 HD2 ARG 22 2HD ARG 22 -3.340 5.302 -1.832 171 HD3 ARG 22 1HD ARG 22 -2.606 6.257 -3.126 172 HE ARG 22 HE ARG 22 -4.915 6.426 -4.074 173 HH11 ARG 22 1HH1 ARG 22 -4.518 5.913 -0.598 174 HH12 ARG 22 2HH1 ARG 22 -6.038 6.648 -0.215 175 HH21 ARG 22 1HH2 ARG 22 -6.873 7.396 -3.535 176 HH22 ARG 22 2HH2 ARG 22 -7.373 7.489 -1.880 177 H ARG 23 H ARG 23 -1.037 0.736 -1.827 178 HA ARG 23 HA ARG 23 -3.538 -0.453 -1.695 179 HB2 ARG 23 2HB ARG 23 -0.923 -1.300 -0.391 180 HB3 ARG 23 1HB ARG 23 -2.345 -2.333 -0.473 181 HG2 ARG 23 2HG ARG 23 -0.965 -1.222 -2.927 182 HG3 ARG 23 1HG ARG 23 -0.535 -2.761 -2.186 183 HD2 ARG 23 2HD ARG 23 -1.973 -3.358 -3.932 184 HD3 ARG 23 1HD ARG 23 -3.014 -3.411 -2.511 185 HE ARG 23 HE ARG 23 -3.682 -1.037 -3.301 186 HH11 ARG 23 1HH1 ARG 23 -2.902 -3.702 -5.486 187 HH12 ARG 23 2HH1 ARG 23 -3.910 -3.101 -6.762 188 HH21 ARG 23 1HH2 ARG 23 -4.988 -0.278 -5.015 189 HH22 ARG 23 2HH2 ARG 23 -5.079 -1.175 -6.493 190 H GLU 24 H GLU 24 -5.107 -0.467 -0.221 191 HA GLU 24 HA GLU 24 -4.843 0.614 2.448 192 HB2 GLU 24 2HB GLU 24 -6.923 0.866 1.148 193 HB3 GLU 24 1HB GLU 24 -7.138 -0.879 1.095 194 HG2 GLU 24 2HG GLU 24 -7.550 -0.968 3.482 195 HG3 GLU 24 1HG GLU 24 -7.082 0.723 3.674 196 H LYS 25 H LYS 25 -4.910 -2.521 0.898 197 HA LYS 25 HA LYS 25 -3.840 -3.805 3.326 198 HB2 LYS 25 2HB LYS 25 -5.965 -5.012 1.493 199 HB3 LYS 25 1HB LYS 25 -5.157 -5.857 2.810 200 HG2 LYS 25 2HG LYS 25 -6.193 -4.343 4.451 201 HG3 LYS 25 1HG LYS 25 -6.977 -3.442 3.149 202 HD2 LYS 25 2HD LYS 25 -7.477 -6.359 3.881 203 HD3 LYS 25 1HD LYS 25 -8.560 -5.003 4.209 204 HE2 LYS 25 2HE LYS 25 -8.802 -4.643 1.756 205 HE3 LYS 25 1HE LYS 25 -7.770 -6.041 1.462 206 HZ1 LYS 25 3HZ LYS 25 -10.409 -6.068 2.819 207 HZ2 LYS 25 1HZ LYS 25 -9.409 -7.416 2.608 208 HZ3 LYS 25 2HZ LYS 25 -10.070 -6.637 1.263 209 H CYS 26 H CYS 26 -2.374 -5.549 2.848 210 HA CYS 26 HA CYS 26 -0.714 -5.238 0.627 211 HB2 CYS 26 2HB CYS 26 -0.990 -7.423 2.697 212 HB3 CYS 26 1HB CYS 26 0.093 -7.651 1.331 213 H PHE 27 H PHE 27 -0.330 -6.572 -1.203 214 HA PHE 27 HA PHE 27 -2.711 -7.151 -2.657 215 HB2 PHE 27 2HB PHE 27 -1.236 -7.623 -4.552 216 HB3 PHE 27 1HB PHE 27 -0.692 -6.189 -3.705 217 HD1 PHE 27 2HD PHE 27 1.343 -6.328 -2.183 218 HD2 PHE 27 1HD PHE 27 0.239 -9.511 -4.832 219 HE1 PHE 27 2HE PHE 27 3.606 -7.266 -2.024 220 HE2 PHE 27 1HE PHE 27 2.513 -10.430 -4.658 221 HZ PHE 27 HZ PHE 27 4.192 -9.307 -3.257 222 H LYS 28 H LYS 28 -0.887 -9.135 -0.583 223 HA LYS 28 HA LYS 28 -2.035 -11.609 -1.710 224 HB2 LYS 28 2HB LYS 28 0.176 -12.752 -1.255 225 HB3 LYS 28 1HB LYS 28 0.197 -11.588 -2.564 226 HG2 LYS 28 2HG LYS 28 2.164 -10.992 -1.536 227 HG3 LYS 28 1HG LYS 28 1.074 -9.932 -0.658 228 HD2 LYS 28 2HD LYS 28 2.643 -11.013 0.864 229 HD3 LYS 28 1HD LYS 28 1.009 -11.584 1.192 230 HE2 LYS 28 2HE LYS 28 1.485 -13.672 -0.041 231 HE3 LYS 28 1HE LYS 28 3.105 -13.083 -0.413 232 HZ1 LYS 28 3HZ LYS 28 2.059 -13.642 2.307 233 HZ2 LYS 28 1HZ LYS 28 3.611 -13.083 1.937 234 HZ3 LYS 28 2HZ LYS 28 3.123 -14.617 1.432 235 H CYS 29 H CYS 29 -0.494 -10.066 1.128 236 HA CYS 29 HA CYS 29 -1.407 -12.080 2.967 237 HB2 CYS 29 2HB CYS 29 0.729 -10.962 3.244 238 HB3 CYS 29 1HB CYS 29 -0.050 -9.388 3.304 239 H GLY 30 H GLY 30 -2.329 -8.763 2.097 240 HA2 GLY 30 2HA GLY 30 -4.339 -7.682 2.242 241 HA3 GLY 30 1HA GLY 30 -5.058 -9.165 2.852 242 H VAL 31 H VAL 31 -2.293 -7.837 4.553 243 HA VAL 31 HA VAL 31 -3.848 -7.251 6.903 244 HB VAL 31 HB VAL 31 -1.528 -8.034 7.142 245 HG11 VAL 31 1HG1 VAL 31 -0.664 -5.395 5.920 246 HG12 VAL 31 2HG1 VAL 31 -0.499 -6.990 5.183 247 HG13 VAL 31 3HG1 VAL 31 0.409 -6.598 6.644 248 HG21 VAL 31 3HG2 VAL 31 -0.734 -6.405 8.854 249 HG22 VAL 31 1HG2 VAL 31 -2.462 -6.738 9.001 250 HG23 VAL 31 2HG2 VAL 31 -1.919 -5.230 8.262 251 HA PRO 32 HA PRO 32 -4.986 -3.024 5.755 252 HB2 PRO 32 2HB PRO 32 -5.215 -2.623 8.731 253 HB3 PRO 32 1HB PRO 32 -6.419 -2.333 7.455 254 HG2 PRO 32 2HG PRO 32 -6.700 -4.430 9.050 255 HG3 PRO 32 1HG PRO 32 -7.003 -4.605 7.307 256 HD2 PRO 32 2HD PRO 32 -4.537 -5.386 8.857 257 HD3 PRO 32 1HD PRO 32 -5.435 -6.319 7.634 258 H LYS 33 H LYS 33 -3.938 -1.107 5.552 259 HA LYS 33 HA LYS 33 -1.236 -0.780 6.279 260 HB2 LYS 33 2HB LYS 33 -2.077 0.131 4.187 261 HB3 LYS 33 1HB LYS 33 -3.289 1.094 5.017 262 HG2 LYS 33 2HG LYS 33 -0.436 1.635 5.725 263 HG3 LYS 33 1HG LYS 33 -0.932 2.101 4.104 264 HD2 LYS 33 2HD LYS 33 -2.323 3.810 4.854 265 HD3 LYS 33 1HD LYS 33 -2.752 2.964 6.343 266 HE2 LYS 33 2HE LYS 33 -0.518 3.453 7.231 267 HE3 LYS 33 1HE LYS 33 -0.143 4.369 5.767 268 HZ1 LYS 33 3HZ LYS 33 -2.334 5.002 7.663 269 HZ2 LYS 33 1HZ LYS 33 -1.907 5.894 6.291 270 HZ3 LYS 33 2HZ LYS 33 -0.841 5.784 7.596 271 H SER 34 H SER 34 -4.255 0.230 7.690 272 HA SER 34 HA SER 34 -3.360 2.139 9.574 273 HB2 SER 34 2HB SER 34 -5.527 1.513 10.749 274 HB3 SER 34 1HB SER 34 -5.715 1.942 9.048 275 HG SER 34 HG SER 34 -6.115 -0.486 10.309 276 H GLU 35 H GLU 35 -3.451 -1.378 9.543 277 HA GLU 35 HA GLU 35 -2.524 -1.677 12.303 278 HB2 GLU 35 2HB GLU 35 -4.228 -3.221 11.126 279 HB3 GLU 35 1HB GLU 35 -2.870 -3.870 10.212 280 HG2 GLU 35 2HG GLU 35 -1.796 -4.427 12.481 281 HG3 GLU 35 1HG GLU 35 -3.355 -4.034 13.207 282 H ALA 36 H ALA 36 -1.033 -0.722 9.616 283 HA ALA 36 HA ALA 36 1.564 -2.020 10.220 284 HB1 ALA 36 1HB ALA 36 0.669 -2.811 8.073 285 HB2 ALA 36 2HB ALA 36 2.110 -1.826 7.828 286 HB3 ALA 36 3HB ALA 36 0.510 -1.149 7.497 287 H GLU 37 H GLU 37 2.892 -0.172 8.325 288 HA GLU 37 HA GLU 37 3.863 1.672 10.129 289 HB2 GLU 37 2HB GLU 37 3.920 1.737 7.090 290 HB3 GLU 37 1HB GLU 37 4.936 2.742 8.127 291 HG2 GLU 37 2HG GLU 37 4.986 -0.297 7.983 292 HG3 GLU 37 1HG GLU 37 6.181 0.794 7.288 293 H GLN 38 H GLN 38 2.982 3.396 11.010 294 HA GLN 38 HA GLN 38 0.741 4.854 9.889 295 HB2 GLN 38 2HB GLN 38 0.898 4.348 12.333 296 HB3 GLN 38 1HB GLN 38 2.334 5.358 12.449 297 HG2 GLN 38 2HG GLN 38 0.977 7.343 11.820 298 HG3 GLN 38 1HG GLN 38 -0.452 6.320 11.695 299 HE21 GLN 38 1HE2 GLN 38 -1.566 7.493 13.283 300 HE22 GLN 38 2HE2 GLN 38 -1.148 7.412 14.958 301 H LYS 39 H LYS 39 0.797 7.133 9.470 302 HA LYS 39 HA LYS 39 3.388 8.085 8.364 303 HB2 LYS 39 2HB LYS 39 0.539 8.577 7.393 304 HB3 LYS 39 1HB LYS 39 1.987 9.263 6.657 305 HG2 LYS 39 2HG LYS 39 1.293 6.311 6.821 306 HG3 LYS 39 1HG LYS 39 1.157 7.332 5.384 307 HD2 LYS 39 2HD LYS 39 3.591 7.649 5.340 308 HD3 LYS 39 1HD LYS 39 3.765 6.746 6.849 309 HE2 LYS 39 2HE LYS 39 2.926 4.718 5.729 310 HE3 LYS 39 1HE LYS 39 2.767 5.616 4.213 311 HZ1 LYS 39 3HZ LYS 39 4.830 4.392 4.255 312 HZ2 LYS 39 1HZ LYS 39 5.277 5.118 5.711 313 HZ3 LYS 39 2HZ LYS 39 5.168 6.045 4.305 314 H LEU 40 H LEU 40 2.738 10.645 7.735 315 HA LEU 40 HA LEU 40 2.881 12.052 10.206 316 HB2 LEU 40 2HB LEU 40 2.600 13.013 7.331 317 HB3 LEU 40 1HB LEU 40 2.727 14.113 8.692 318 HG LEU 40 HG LEU 40 5.006 13.042 9.211 319 HD11 LEU 40 1HD1 LEU 40 4.713 11.867 6.436 320 HD12 LEU 40 2HD1 LEU 40 4.766 10.962 7.948 321 HD13 LEU 40 3HD1 LEU 40 6.184 11.864 7.418 322 HD21 LEU 40 3HD2 LEU 40 4.718 14.507 6.575 323 HD22 LEU 40 1HD2 LEU 40 6.197 14.371 7.533 324 HD23 LEU 40 2HD2 LEU 40 4.807 15.243 8.178 325 HA PRO 41 HA PRO 41 -1.438 12.709 11.232 326 HB2 PRO 41 2HB PRO 41 -0.671 15.566 11.829 327 HB3 PRO 41 1HB PRO 41 -1.491 14.379 12.867 328 HG2 PRO 41 2HG PRO 41 1.057 14.987 13.305 329 HG3 PRO 41 1HG PRO 41 0.501 13.303 13.448 330 HD2 PRO 41 2HD PRO 41 2.035 14.596 11.200 331 HD3 PRO 41 1HD PRO 41 2.230 12.978 11.912 332 H LEU 42 H LEU 42 -2.449 12.570 9.238 333 HA LEU 42 HA LEU 42 -3.558 14.867 7.980 334 HB2 LEU 42 2HB LEU 42 -1.213 15.018 7.101 335 HB3 LEU 42 1HB LEU 42 -1.366 13.406 6.430 336 HG LEU 42 HG LEU 42 -3.127 14.228 4.857 337 HD11 LEU 42 1HD1 LEU 42 -2.574 16.964 6.028 338 HD12 LEU 42 2HD1 LEU 42 -4.062 16.030 6.199 339 HD13 LEU 42 3HD1 LEU 42 -3.576 16.619 4.613 340 HD21 LEU 42 3HD2 LEU 42 -0.799 14.195 4.122 341 HD22 LEU 42 1HD2 LEU 42 -0.551 15.828 4.749 342 HD23 LEU 42 2HD2 LEU 42 -1.658 15.552 3.400 343 H GLY 43 H GLY 43 -5.537 13.923 7.873 344 HA2 GLY 43 2HA GLY 43 -5.847 11.140 6.948 345 HA3 GLY 43 1HA GLY 43 -7.070 12.139 7.721 Start of MODEL 2 1 H1 GLY 1 H GLY 1 23.811 3.105 0.678 2 HA2 GLY 1 1HA GLY 1 25.316 4.542 -1.257 3 HA3 GLY 1 2HA GLY 1 24.966 2.954 -1.922 4 H HIS 2 H HIS 2 22.415 2.600 -0.714 5 HA HIS 2 HA HIS 2 20.806 3.961 -2.662 6 HB2 HIS 2 2HB HIS 2 20.085 1.980 -0.473 7 HB3 HIS 2 1HB HIS 2 18.906 2.659 -1.590 8 HD1 HIS 2 1HD HIS 2 20.634 -0.324 -1.174 9 HD2 HIS 2 2HD HIS 2 20.033 2.166 -4.447 10 HE1 HIS 2 1HE HIS 2 21.002 -1.760 -3.200 11 HE2 HIS 2 2HE HIS 2 20.817 -0.184 -5.148 12 H MET 3 H MET 3 18.856 5.073 -2.191 13 HA MET 3 HA MET 3 18.758 6.648 0.311 14 HB2 MET 3 2HB MET 3 18.368 7.735 -2.521 15 HB3 MET 3 1HB MET 3 18.186 8.657 -1.033 16 HG2 MET 3 2HG MET 3 20.568 8.442 -0.566 17 HG3 MET 3 1HG MET 3 20.780 7.408 -1.983 18 HE1 MET 3 3HE MET 3 22.628 10.636 -3.171 19 HE2 MET 3 1HE MET 3 22.728 8.886 -2.970 20 HE3 MET 3 2HE MET 3 22.652 9.938 -1.553 21 HA PRO 4 HA PRO 4 14.678 4.501 -0.486 22 HB2 PRO 4 2HB PRO 4 13.962 4.258 2.170 23 HB3 PRO 4 1HB PRO 4 15.041 3.103 1.354 24 HG2 PRO 4 2HG PRO 4 15.769 5.443 3.105 25 HG3 PRO 4 1HG PRO 4 16.413 3.784 3.133 26 HD2 PRO 4 2HD PRO 4 17.770 5.784 1.932 27 HD3 PRO 4 1HD PRO 4 17.784 4.139 1.262 28 H LYS 5 H LYS 5 14.279 6.609 -1.415 29 HA LYS 5 HA LYS 5 12.238 8.170 0.030 30 HB2 LYS 5 2HB LYS 5 14.495 9.349 -1.672 31 HB3 LYS 5 1HB LYS 5 13.121 10.262 -1.057 32 HG2 LYS 5 2HG LYS 5 13.885 9.906 1.253 33 HG3 LYS 5 1HG LYS 5 15.235 8.925 0.674 34 HD2 LYS 5 2HD LYS 5 14.808 11.864 -0.012 35 HD3 LYS 5 1HD LYS 5 15.881 11.282 1.262 36 HE2 LYS 5 2HE LYS 5 17.311 10.184 -0.354 37 HE3 LYS 5 1HE LYS 5 16.173 10.510 -1.663 38 HZ1 LYS 5 3HZ LYS 5 17.675 12.567 -0.135 39 HZ2 LYS 5 1HZ LYS 5 16.590 12.865 -1.402 40 HZ3 LYS 5 2HZ LYS 5 18.030 12.033 -1.699 41 H ILE 6 H ILE 6 12.799 6.082 -2.256 42 HA ILE 6 HA ILE 6 11.613 7.350 -4.622 43 HB ILE 6 HB ILE 6 12.277 5.204 -5.760 44 HG12 ILE 6 2HG1 ILE 6 13.439 4.472 -3.018 45 HG13 ILE 6 1HG1 ILE 6 12.125 3.644 -3.845 46 HG21 ILE 6 1HG2 ILE 6 14.525 6.578 -4.243 47 HG22 ILE 6 2HG2 ILE 6 13.799 7.133 -5.754 48 HG23 ILE 6 3HG2 ILE 6 14.708 5.622 -5.717 49 HD11 ILE 6 3HD1 ILE 6 13.681 2.908 -5.585 50 HD12 ILE 6 1HD1 ILE 6 14.183 2.381 -3.981 51 HD13 ILE 6 2HD1 ILE 6 15.004 3.734 -4.755 52 H ASN 7 H ASN 7 10.673 5.564 -1.945 53 HA ASN 7 HA ASN 7 8.169 4.624 -3.206 54 HB2 ASN 7 2HB ASN 7 8.142 2.824 -1.449 55 HB3 ASN 7 1HB ASN 7 9.469 2.676 -2.589 56 HD21 ASN 7 1HD2 ASN 7 9.137 1.626 0.172 57 HD22 ASN 7 2HD2 ASN 7 10.521 2.187 1.042 58 H GLU 8 H GLU 8 6.576 5.891 -2.592 59 HA GLU 8 HA GLU 8 6.392 7.175 0.041 60 HB2 GLU 8 2HB GLU 8 5.825 8.424 -2.026 61 HB3 GLU 8 1HB GLU 8 4.605 7.231 -2.436 62 HG2 GLU 8 2HG GLU 8 3.614 9.305 -1.590 63 HG3 GLU 8 1HG GLU 8 3.226 7.934 -0.564 64 H ASP 9 H ASP 9 5.729 4.267 -1.322 65 HA ASP 9 HA ASP 9 3.274 3.394 -0.242 66 HB2 ASP 9 2HB ASP 9 5.567 1.588 -1.104 67 HB3 ASP 9 1HB ASP 9 3.836 1.321 -1.298 68 H TRP 10 H TRP 10 3.010 1.697 1.367 69 HA TRP 10 HA TRP 10 4.919 1.896 3.598 70 HB2 TRP 10 2HB TRP 10 3.135 0.767 4.955 71 HB3 TRP 10 1HB TRP 10 2.680 2.329 4.304 72 HD1 TRP 10 HD TRP 10 0.633 2.417 2.633 73 HE1 TRP 10 1HE TRP 10 -1.241 0.739 2.095 74 HE3 TRP 10 3HE TRP 10 2.769 -1.854 4.481 75 HZ2 TRP 10 2HZ TRP 10 -1.743 -2.012 2.383 76 HZ3 TRP 10 3HZ TRP 10 1.534 -3.974 4.279 77 HH2 TRP 10 HH TRP 10 -0.677 -4.056 3.246 78 H LEU 11 H LEU 11 5.454 0.033 4.829 79 HA LEU 11 HA LEU 11 5.897 -2.421 3.266 80 HB2 LEU 11 2HB LEU 11 7.423 -1.084 5.538 81 HB3 LEU 11 1HB LEU 11 7.643 -2.775 5.181 82 HG LEU 11 HG LEU 11 9.460 -1.511 4.194 83 HD11 LEU 11 1HD1 LEU 11 9.353 -2.239 1.875 84 HD12 LEU 11 2HD1 LEU 11 7.611 -2.497 2.014 85 HD13 LEU 11 3HD1 LEU 11 8.730 -3.477 2.966 86 HD21 LEU 11 3HD2 LEU 11 7.407 0.075 2.618 87 HD22 LEU 11 1HD2 LEU 11 9.165 0.202 2.475 88 HD23 LEU 11 2HD2 LEU 11 8.365 0.680 3.971 89 H CYS 12 H CYS 12 5.106 -4.326 4.083 90 HA CYS 12 HA CYS 12 3.005 -4.267 5.992 91 HB2 CYS 12 2HB CYS 12 2.916 -5.877 4.179 92 HB3 CYS 12 1HB CYS 12 4.438 -6.601 4.677 93 H ASN 13 H ASN 13 2.850 -5.399 7.965 94 HA ASN 13 HA ASN 13 5.287 -5.420 9.587 95 HB2 ASN 13 2HB ASN 13 3.688 -5.787 11.507 96 HB3 ASN 13 1HB ASN 13 3.417 -4.300 10.614 97 HD21 ASN 13 1HD2 ASN 13 1.580 -4.110 9.322 98 HD22 ASN 13 2HD2 ASN 13 0.220 -5.148 9.510 99 H LYS 14 H LYS 14 2.972 -7.648 8.179 100 HA LYS 14 HA LYS 14 4.190 -9.965 9.505 101 HB2 LYS 14 2HB LYS 14 1.779 -9.781 7.668 102 HB3 LYS 14 1HB LYS 14 2.389 -11.280 8.374 103 HG2 LYS 14 2HG LYS 14 2.035 -10.215 10.653 104 HG3 LYS 14 1HG LYS 14 1.179 -8.908 9.827 105 HD2 LYS 14 2HD LYS 14 0.415 -11.859 9.791 106 HD3 LYS 14 1HD LYS 14 -0.369 -10.602 10.747 107 HE2 LYS 14 2HE LYS 14 -1.037 -9.465 8.624 108 HE3 LYS 14 1HE LYS 14 -0.329 -10.802 7.718 109 HZ1 LYS 14 3HZ LYS 14 -2.528 -11.067 9.694 110 HZ2 LYS 14 1HZ LYS 14 -1.880 -12.302 8.739 111 HZ3 LYS 14 2HZ LYS 14 -2.732 -11.037 8.011 112 H CYS 15 H CYS 15 3.174 -9.473 5.994 113 HA CYS 15 HA CYS 15 5.141 -11.411 5.191 114 HB2 CYS 15 2HB CYS 15 4.320 -10.903 2.893 115 HB3 CYS 15 1HB CYS 15 3.036 -11.308 4.026 116 H GLY 16 H GLY 16 5.243 -8.018 5.682 117 HA2 GLY 16 2HA GLY 16 6.998 -6.554 5.629 118 HA3 GLY 16 1HA GLY 16 8.049 -7.878 5.148 119 H VAL 17 H VAL 17 5.274 -7.253 3.155 120 HA VAL 17 HA VAL 17 7.005 -6.903 0.872 121 HB VAL 17 HB VAL 17 4.969 -6.965 -0.509 122 HG11 VAL 17 1HG1 VAL 17 4.201 -9.234 0.068 123 HG12 VAL 17 2HG1 VAL 17 4.967 -9.096 1.652 124 HG13 VAL 17 3HG1 VAL 17 5.956 -9.088 0.189 125 HG21 VAL 17 3HG2 VAL 17 3.427 -5.679 0.911 126 HG22 VAL 17 1HG2 VAL 17 3.405 -6.979 2.106 127 HG23 VAL 17 2HG2 VAL 17 2.718 -7.240 0.499 128 H GLN 18 H GLN 18 6.460 -5.310 -0.835 129 HA GLN 18 HA GLN 18 6.129 -2.565 0.241 130 HB2 GLN 18 2HB GLN 18 8.473 -3.381 -0.538 131 HB3 GLN 18 1HB GLN 18 7.818 -3.409 -2.167 132 HG2 GLN 18 2HG GLN 18 7.871 -0.911 -0.449 133 HG3 GLN 18 1HG GLN 18 9.205 -1.376 -1.499 134 HE21 GLN 18 1HE2 GLN 18 7.405 -2.349 -3.657 135 HE22 GLN 18 2HE2 GLN 18 6.739 -0.925 -4.366 136 H ASN 19 H ASN 19 4.190 -1.799 -0.437 137 HA ASN 19 HA ASN 19 2.785 -3.148 -2.651 138 HB2 ASN 19 2HB ASN 19 0.748 -2.385 -1.605 139 HB3 ASN 19 1HB ASN 19 1.784 -3.014 -0.327 140 HD21 ASN 19 1HD2 ASN 19 -0.428 -1.030 -0.318 141 HD22 ASN 19 2HD2 ASN 19 0.209 0.361 0.459 142 H PHE 20 H PHE 20 0.845 -1.129 -3.201 143 HA PHE 20 HA PHE 20 2.414 1.005 -4.522 144 HB2 PHE 20 2HB PHE 20 1.051 -0.572 -5.987 145 HB3 PHE 20 1HB PHE 20 -0.406 0.075 -5.240 146 HD1 PHE 20 1HD PHE 20 2.748 1.529 -6.706 147 HD2 PHE 20 2HD PHE 20 -1.534 1.623 -6.642 148 HE1 PHE 20 1HE PHE 20 2.756 3.364 -8.358 149 HE2 PHE 20 2HE PHE 20 -1.513 3.451 -8.288 150 HZ PHE 20 HZ PHE 20 0.625 4.321 -9.146 151 H LYS 21 H LYS 21 1.938 1.308 -1.823 152 HA LYS 21 HA LYS 21 1.042 2.444 -0.132 153 HB2 LYS 21 2HB LYS 21 2.059 4.234 -1.553 154 HB3 LYS 21 1HB LYS 21 0.455 4.562 -2.226 155 HG2 LYS 21 2HG LYS 21 -0.350 5.042 0.113 156 HG3 LYS 21 1HG LYS 21 1.325 4.842 0.656 157 HD2 LYS 21 2HD LYS 21 1.989 6.718 -0.857 158 HD3 LYS 21 1HD LYS 21 0.292 6.933 -1.305 159 HE2 LYS 21 2HE LYS 21 0.958 8.564 0.401 160 HE3 LYS 21 1HE LYS 21 -0.253 7.454 1.039 161 HZ1 LYS 21 3HZ LYS 21 2.675 7.311 1.536 162 HZ2 LYS 21 1HZ LYS 21 1.525 6.212 2.125 163 HZ3 LYS 21 2HZ LYS 21 1.493 7.823 2.634 164 H ARG 22 H ARG 22 -1.239 3.476 -2.668 165 HA ARG 22 HA ARG 22 -3.494 3.935 -1.208 166 HB2 ARG 22 2HB ARG 22 -2.946 4.418 -3.706 167 HB3 ARG 22 1HB ARG 22 -3.622 2.832 -4.029 168 HG2 ARG 22 2HG ARG 22 -5.304 4.525 -4.434 169 HG3 ARG 22 1HG ARG 22 -5.777 3.565 -3.029 170 HD2 ARG 22 2HD ARG 22 -4.960 5.342 -1.522 171 HD3 ARG 22 1HD ARG 22 -4.427 6.288 -2.917 172 HE ARG 22 HE ARG 22 -7.243 5.631 -2.918 173 HH11 ARG 22 1HH1 ARG 22 -4.855 7.973 -1.850 174 HH12 ARG 22 2HH1 ARG 22 -6.003 9.258 -1.712 175 HH21 ARG 22 1HH2 ARG 22 -8.743 7.327 -2.701 176 HH22 ARG 22 2HH2 ARG 22 -8.207 8.894 -2.193 177 H ARG 23 H ARG 23 -2.304 0.829 -2.278 178 HA ARG 23 HA ARG 23 -4.456 -0.885 -1.853 179 HB2 ARG 23 2HB ARG 23 -1.512 -1.293 -1.176 180 HB3 ARG 23 1HB ARG 23 -2.706 -2.585 -1.190 181 HG2 ARG 23 2HG ARG 23 -1.948 -0.907 -3.603 182 HG3 ARG 23 1HG ARG 23 -1.281 -2.497 -3.223 183 HD2 ARG 23 2HD ARG 23 -3.597 -3.447 -3.342 184 HD3 ARG 23 1HD ARG 23 -4.188 -1.862 -3.847 185 HE ARG 23 HE ARG 23 -2.955 -2.075 -5.876 186 HH11 ARG 23 1HH1 ARG 23 -3.122 -5.048 -4.018 187 HH12 ARG 23 2HH1 ARG 23 -2.721 -6.054 -5.369 188 HH21 ARG 23 1HH2 ARG 23 -2.334 -3.405 -7.620 189 HH22 ARG 23 2HH2 ARG 23 -2.277 -5.124 -7.408 190 H GLU 24 H GLU 24 -5.773 -0.737 -0.165 191 HA GLU 24 HA GLU 24 -5.157 0.279 2.415 192 HB2 GLU 24 2HB GLU 24 -7.431 0.302 1.293 193 HB3 GLU 24 1HB GLU 24 -7.553 -1.425 1.580 194 HG2 GLU 24 2HG GLU 24 -8.844 -0.183 3.242 195 HG3 GLU 24 1HG GLU 24 -7.508 -1.040 4.015 196 H LYS 25 H LYS 25 -5.097 -2.885 1.001 197 HA LYS 25 HA LYS 25 -4.084 -4.079 3.520 198 HB2 LYS 25 2HB LYS 25 -5.489 -5.493 1.209 199 HB3 LYS 25 1HB LYS 25 -4.880 -6.258 2.675 200 HG2 LYS 25 2HG LYS 25 -6.557 -5.073 4.013 201 HG3 LYS 25 1HG LYS 25 -7.153 -4.251 2.562 202 HD2 LYS 25 2HD LYS 25 -7.774 -6.454 1.580 203 HD3 LYS 25 1HD LYS 25 -7.182 -7.267 3.033 204 HE2 LYS 25 2HE LYS 25 -8.891 -6.099 4.365 205 HE3 LYS 25 1HE LYS 25 -9.486 -5.302 2.908 206 HZ1 LYS 25 3HZ LYS 25 -9.501 -8.225 3.445 207 HZ2 LYS 25 1HZ LYS 25 -10.006 -7.497 2.003 208 HZ3 LYS 25 2HZ LYS 25 -10.847 -7.196 3.439 209 H CYS 26 H CYS 26 -2.498 -5.888 3.056 210 HA CYS 26 HA CYS 26 -0.556 -5.380 1.039 211 HB2 CYS 26 2HB CYS 26 -1.110 -7.742 2.845 212 HB3 CYS 26 1HB CYS 26 0.081 -7.878 1.558 213 H PHE 27 H PHE 27 -0.212 -6.390 -0.940 214 HA PHE 27 HA PHE 27 -2.543 -7.062 -2.460 215 HB2 PHE 27 2HB PHE 27 -0.913 -7.227 -4.382 216 HB3 PHE 27 1HB PHE 27 -0.864 -5.711 -3.508 217 HD1 PHE 27 1HD PHE 27 0.971 -8.918 -4.013 218 HD2 PHE 27 2HD PHE 27 1.156 -4.930 -2.472 219 HE1 PHE 27 1HE PHE 27 3.403 -9.122 -3.767 220 HE2 PHE 27 2HE PHE 27 3.588 -5.155 -2.222 221 HZ PHE 27 HZ PHE 27 4.714 -7.244 -2.870 222 H LYS 28 H LYS 28 -1.103 -9.044 -0.378 223 HA LYS 28 HA LYS 28 -1.735 -11.478 -1.812 224 HB2 LYS 28 2HB LYS 28 0.572 -12.453 -1.319 225 HB3 LYS 28 1HB LYS 28 0.498 -11.258 -2.595 226 HG2 LYS 28 2HG LYS 28 2.399 -10.545 -1.516 227 HG3 LYS 28 1HG LYS 28 1.212 -9.561 -0.671 228 HD2 LYS 28 2HD LYS 28 2.823 -10.524 0.895 229 HD3 LYS 28 1HD LYS 28 1.234 -11.231 1.182 230 HE2 LYS 28 2HE LYS 28 1.909 -13.263 -0.058 231 HE3 LYS 28 1HE LYS 28 3.489 -12.544 -0.375 232 HZ1 LYS 28 3HZ LYS 28 3.983 -12.569 1.933 233 HZ2 LYS 28 1HZ LYS 28 3.465 -14.116 1.495 234 HZ3 LYS 28 2HZ LYS 28 2.424 -13.083 2.334 235 H CYS 29 H CYS 29 -0.359 -10.056 1.220 236 HA CYS 29 HA CYS 29 -1.260 -12.322 2.787 237 HB2 CYS 29 2HB CYS 29 0.879 -11.288 3.249 238 HB3 CYS 29 1HB CYS 29 0.124 -9.721 3.502 239 H GLY 30 H GLY 30 -2.347 -8.999 2.183 240 HA2 GLY 30 2HA GLY 30 -4.402 -8.022 2.523 241 HA3 GLY 30 1HA GLY 30 -4.995 -9.570 3.105 242 H VAL 31 H VAL 31 -2.227 -7.908 4.602 243 HA VAL 31 HA VAL 31 -3.657 -7.637 7.107 244 HB VAL 31 HB VAL 31 -1.203 -8.181 7.058 245 HG11 VAL 31 1HG1 VAL 31 -0.814 -5.301 6.178 246 HG12 VAL 31 2HG1 VAL 31 -0.444 -6.748 5.237 247 HG13 VAL 31 3HG1 VAL 31 0.469 -6.397 6.703 248 HG21 VAL 31 3HG2 VAL 31 -2.199 -7.310 9.122 249 HG22 VAL 31 1HG2 VAL 31 -1.893 -5.651 8.597 250 HG23 VAL 31 2HG2 VAL 31 -0.541 -6.731 8.951 251 HA PRO 32 HA PRO 32 -5.347 -3.569 6.114 252 HB2 PRO 32 2HB PRO 32 -5.850 -2.693 8.733 253 HB3 PRO 32 1HB PRO 32 -6.927 -3.765 7.811 254 HG2 PRO 32 2HG PRO 32 -4.845 -4.494 9.860 255 HG3 PRO 32 1HG PRO 32 -6.499 -5.125 9.662 256 HD2 PRO 32 2HD PRO 32 -4.400 -6.537 8.775 257 HD3 PRO 32 1HD PRO 32 -5.910 -6.489 7.837 258 H LYS 33 H LYS 33 -4.549 -1.550 5.853 259 HA LYS 33 HA LYS 33 -1.854 -0.912 6.386 260 HB2 LYS 33 2HB LYS 33 -3.188 0.031 4.468 261 HB3 LYS 33 1HB LYS 33 -4.060 1.048 5.612 262 HG2 LYS 33 2HG LYS 33 -1.851 2.076 6.267 263 HG3 LYS 33 1HG LYS 33 -1.089 1.134 4.992 264 HD2 LYS 33 2HD LYS 33 -1.384 3.307 4.100 265 HD3 LYS 33 1HD LYS 33 -2.635 2.318 3.352 266 HE2 LYS 33 2HE LYS 33 -3.202 3.989 5.812 267 HE3 LYS 33 1HE LYS 33 -3.285 4.671 4.195 268 HZ1 LYS 33 3HZ LYS 33 -4.939 2.962 3.646 269 HZ2 LYS 33 1HZ LYS 33 -5.445 3.987 4.890 270 HZ3 LYS 33 2HZ LYS 33 -4.906 2.427 5.248 271 H SER 34 H SER 34 -4.707 -0.458 8.301 272 HA SER 34 HA SER 34 -4.005 1.727 9.918 273 HB2 SER 34 2HB SER 34 -6.278 0.699 9.803 274 HB3 SER 34 1HB SER 34 -5.674 -0.712 10.664 275 HG SER 34 HG SER 34 -5.070 1.566 12.006 276 H GLU 35 H GLU 35 -2.860 -1.562 9.943 277 HA GLU 35 HA GLU 35 -1.386 -1.163 12.481 278 HB2 GLU 35 2HB GLU 35 -2.342 -3.794 11.267 279 HB3 GLU 35 1HB GLU 35 -1.497 -3.597 12.805 280 HG2 GLU 35 2HG GLU 35 -3.405 -2.214 13.632 281 HG3 GLU 35 1HG GLU 35 -4.262 -2.540 12.128 282 H ALA 36 H ALA 36 -1.029 -1.418 9.135 283 HA ALA 36 HA ALA 36 1.745 -2.325 9.147 284 HB1 ALA 36 1HB ALA 36 1.698 -1.709 6.747 285 HB2 ALA 36 2HB ALA 36 0.079 -1.033 6.960 286 HB3 ALA 36 3HB ALA 36 0.348 -2.763 7.181 287 H GLU 37 H GLU 37 -0.076 0.674 8.973 288 HA GLU 37 HA GLU 37 2.200 2.419 9.394 289 HB2 GLU 37 2HB GLU 37 -0.828 2.864 9.444 290 HB3 GLU 37 1HB GLU 37 0.344 4.152 9.723 291 HG2 GLU 37 2HG GLU 37 0.064 2.533 7.163 292 HG3 GLU 37 1HG GLU 37 -0.544 4.171 7.416 293 H GLN 38 H GLN 38 1.285 4.085 11.455 294 HA GLN 38 HA GLN 38 1.775 2.587 13.815 295 HB2 GLN 38 2HB GLN 38 1.392 4.666 15.035 296 HB3 GLN 38 1HB GLN 38 2.430 4.955 13.653 297 HG2 GLN 38 2HG GLN 38 0.585 5.996 12.436 298 HG3 GLN 38 1HG GLN 38 -0.538 5.610 13.736 299 HE21 GLN 38 1HE2 GLN 38 -0.312 6.722 15.746 300 HE22 GLN 38 2HE2 GLN 38 0.479 8.256 15.834 301 H LYS 39 H LYS 39 0.361 1.409 14.978 302 HA LYS 39 HA LYS 39 -2.437 1.281 14.560 303 HB2 LYS 39 2HB LYS 39 -0.759 0.431 16.964 304 HB3 LYS 39 1HB LYS 39 -2.478 0.076 16.796 305 HG2 LYS 39 2HG LYS 39 -2.006 -1.272 14.778 306 HG3 LYS 39 1HG LYS 39 -0.282 -0.909 14.946 307 HD2 LYS 39 2HD LYS 39 -0.267 -2.036 17.159 308 HD3 LYS 39 1HD LYS 39 -1.982 -2.413 16.977 309 HE2 LYS 39 2HE LYS 39 -0.602 -4.372 16.440 310 HE3 LYS 39 1HE LYS 39 -1.456 -3.806 15.004 311 HZ1 LYS 39 3HZ LYS 39 0.520 -2.818 14.176 312 HZ2 LYS 39 1HZ LYS 39 0.915 -4.396 14.647 313 HZ3 LYS 39 2HZ LYS 39 1.352 -3.084 15.623 314 H LEU 40 H LEU 40 -4.104 2.332 15.562 315 HA LEU 40 HA LEU 40 -3.547 4.865 16.834 316 HB2 LEU 40 2HB LEU 40 -6.196 3.478 16.201 317 HB3 LEU 40 1HB LEU 40 -6.054 5.104 16.840 318 HG LEU 40 HG LEU 40 -4.757 5.703 14.690 319 HD11 LEU 40 1HD1 LEU 40 -5.095 4.326 12.697 320 HD12 LEU 40 2HD1 LEU 40 -5.885 3.084 13.675 321 HD13 LEU 40 3HD1 LEU 40 -4.179 3.456 13.928 322 HD21 LEU 40 3HD2 LEU 40 -7.672 4.919 14.401 323 HD22 LEU 40 1HD2 LEU 40 -6.790 6.038 13.355 324 HD23 LEU 40 2HD2 LEU 40 -7.055 6.441 15.050 325 HA PRO 41 HA PRO 41 -4.162 3.229 21.083 326 HB2 PRO 41 2HB PRO 41 -4.692 6.066 21.857 327 HB3 PRO 41 1HB PRO 41 -3.420 4.967 22.431 328 HG2 PRO 41 2HG PRO 41 -2.828 7.033 20.830 329 HG3 PRO 41 1HG PRO 41 -1.990 5.471 20.677 330 HD2 PRO 41 2HD PRO 41 -4.249 6.556 18.983 331 HD3 PRO 41 1HD PRO 41 -2.745 5.753 18.470 332 H LEU 42 H LEU 42 -6.129 2.308 20.055 333 HA LEU 42 HA LEU 42 -8.639 3.829 20.249 334 HB2 LEU 42 2HB LEU 42 -7.715 2.386 18.181 335 HB3 LEU 42 1HB LEU 42 -8.428 1.051 19.060 336 HG LEU 42 HG LEU 42 -9.969 3.497 18.097 337 HD11 LEU 42 1HD1 LEU 42 -9.152 2.239 16.193 338 HD12 LEU 42 2HD1 LEU 42 -10.898 2.053 16.343 339 HD13 LEU 42 3HD1 LEU 42 -9.823 0.744 16.850 340 HD21 LEU 42 3HD2 LEU 42 -11.059 2.442 20.025 341 HD22 LEU 42 1HD2 LEU 42 -11.016 0.872 19.219 342 HD23 LEU 42 2HD2 LEU 42 -12.008 2.180 18.563 343 H GLY 43 H GLY 43 -7.249 0.675 21.152 344 HA2 GLY 43 2HA GLY 43 -9.228 0.245 23.284 345 HA3 GLY 43 1HA GLY 43 -8.005 -0.890 22.728 Start of MODEL 3 1 H1 GLY 1 H GLY 1 7.444 10.344 -12.593 2 HA2 GLY 1 1HA GLY 1 7.294 8.190 -10.737 3 HA3 GLY 1 2HA GLY 1 8.134 7.625 -12.168 4 H HIS 2 H HIS 2 9.572 7.485 -10.018 5 HA HIS 2 HA HIS 2 11.615 7.846 -9.214 6 HB2 HIS 2 2HB HIS 2 12.209 8.227 -11.636 7 HB3 HIS 2 1HB HIS 2 12.007 9.952 -11.377 8 HD1 HIS 2 1HD HIS 2 14.042 11.186 -10.521 9 HD2 HIS 2 2HD HIS 2 14.435 7.072 -10.102 10 HE1 HIS 2 1HE HIS 2 16.408 10.812 -9.790 11 HE2 HIS 2 2HE HIS 2 16.635 8.312 -9.546 12 H MET 3 H MET 3 9.192 9.900 -8.730 13 HA MET 3 HA MET 3 10.642 11.431 -6.710 14 HB2 MET 3 2HB MET 3 9.570 13.594 -7.367 15 HB3 MET 3 1HB MET 3 10.705 12.993 -8.561 16 HG2 MET 3 2HG MET 3 8.860 12.249 -9.988 17 HG3 MET 3 1HG MET 3 7.689 12.768 -8.771 18 HE1 MET 3 3HE MET 3 7.053 15.479 -11.500 19 HE2 MET 3 1HE MET 3 6.337 14.280 -10.422 20 HE3 MET 3 2HE MET 3 7.366 13.760 -11.756 21 HA PRO 4 HA PRO 4 6.536 10.150 -5.024 22 HB2 PRO 4 2HB PRO 4 7.279 8.208 -3.302 23 HB3 PRO 4 1HB PRO 4 7.154 7.880 -5.044 24 HG2 PRO 4 2HG PRO 4 9.605 8.221 -3.375 25 HG3 PRO 4 1HG PRO 4 9.353 7.237 -4.832 26 HD2 PRO 4 2HD PRO 4 10.545 9.845 -4.709 27 HD3 PRO 4 1HD PRO 4 10.154 8.912 -6.170 28 H LYS 5 H LYS 5 6.943 12.434 -4.371 29 HA LYS 5 HA LYS 5 8.506 13.212 -2.151 30 HB2 LYS 5 2HB LYS 5 6.065 14.599 -3.336 31 HB3 LYS 5 1HB LYS 5 7.216 15.337 -2.224 32 HG2 LYS 5 2HG LYS 5 9.008 15.071 -3.921 33 HG3 LYS 5 1HG LYS 5 7.827 14.361 -5.032 34 HD2 LYS 5 2HD LYS 5 6.529 16.460 -5.025 35 HD3 LYS 5 1HD LYS 5 7.655 17.170 -3.865 36 HE2 LYS 5 2HE LYS 5 9.471 16.975 -5.561 37 HE3 LYS 5 1HE LYS 5 8.289 16.354 -6.721 38 HZ1 LYS 5 3HZ LYS 5 8.142 19.007 -5.392 39 HZ2 LYS 5 1HZ LYS 5 7.084 18.415 -6.569 40 HZ3 LYS 5 2HZ LYS 5 8.694 18.739 -6.969 41 H ILE 6 H ILE 6 4.967 12.832 -2.395 42 HA ILE 6 HA ILE 6 4.715 12.919 0.546 43 HB ILE 6 HB ILE 6 2.325 13.305 0.194 44 HG12 ILE 6 2HG1 ILE 6 2.883 13.046 -2.810 45 HG13 ILE 6 1HG1 ILE 6 1.963 11.908 -1.834 46 HG21 ILE 6 1HG2 ILE 6 2.438 15.525 -0.896 47 HG22 ILE 6 2HG2 ILE 6 4.012 15.122 -1.584 48 HG23 ILE 6 3HG2 ILE 6 3.820 15.258 0.164 49 HD11 ILE 6 3HD1 ILE 6 0.510 13.311 -3.161 50 HD12 ILE 6 1HD1 ILE 6 1.178 14.763 -2.420 51 HD13 ILE 6 2HD1 ILE 6 0.253 13.616 -1.445 52 H ASN 7 H ASN 7 5.208 10.569 -1.703 53 HA ASN 7 HA ASN 7 3.480 8.551 -0.388 54 HB2 ASN 7 2HB ASN 7 3.234 8.638 -2.845 55 HB3 ASN 7 1HB ASN 7 4.971 8.416 -3.050 56 HD21 ASN 7 1HD2 ASN 7 4.983 6.458 -4.068 57 HD22 ASN 7 2HD2 ASN 7 4.347 4.996 -3.388 58 H GLU 8 H GLU 8 4.528 7.646 1.270 59 HA GLU 8 HA GLU 8 7.395 6.945 1.158 60 HB2 GLU 8 2HB GLU 8 6.522 8.064 3.205 61 HB3 GLU 8 1HB GLU 8 5.343 6.780 3.420 62 HG2 GLU 8 2HG GLU 8 7.132 6.445 4.991 63 HG3 GLU 8 1HG GLU 8 7.208 5.164 3.787 64 H ASP 9 H ASP 9 4.286 5.570 0.612 65 HA ASP 9 HA ASP 9 3.315 3.552 0.495 66 HB2 ASP 9 2HB ASP 9 6.170 2.625 0.098 67 HB3 ASP 9 1HB ASP 9 4.778 1.575 -0.129 68 H TRP 10 H TRP 10 3.948 1.001 1.468 69 HA TRP 10 HA TRP 10 4.997 1.302 4.174 70 HB2 TRP 10 2HB TRP 10 3.077 0.014 5.175 71 HB3 TRP 10 1HB TRP 10 2.678 1.638 4.651 72 HD1 TRP 10 HD TRP 10 0.939 1.897 2.626 73 HE1 TRP 10 1HE TRP 10 -0.816 0.287 1.658 74 HE3 TRP 10 3HE TRP 10 2.707 -2.501 4.545 75 HZ2 TRP 10 2HZ TRP 10 -1.375 -2.462 1.686 76 HZ3 TRP 10 3HZ TRP 10 1.502 -4.577 4.014 77 HH2 TRP 10 HH TRP 10 -0.494 -4.554 2.615 78 H LEU 11 H LEU 11 5.537 -0.592 5.189 79 HA LEU 11 HA LEU 11 6.203 -2.877 3.423 80 HB2 LEU 11 2HB LEU 11 8.009 -1.306 4.638 81 HB3 LEU 11 1HB LEU 11 7.582 -2.217 6.069 82 HG LEU 11 HG LEU 11 9.647 -3.071 5.085 83 HD11 LEU 11 1HD1 LEU 11 7.436 -5.083 4.652 84 HD12 LEU 11 2HD1 LEU 11 8.222 -4.714 6.188 85 HD13 LEU 11 3HD1 LEU 11 9.152 -5.437 4.879 86 HD21 LEU 11 3HD2 LEU 11 8.078 -3.617 2.551 87 HD22 LEU 11 1HD2 LEU 11 9.762 -4.055 2.852 88 HD23 LEU 11 2HD2 LEU 11 9.296 -2.359 2.771 89 H CYS 12 H CYS 12 4.963 -4.643 3.884 90 HA CYS 12 HA CYS 12 3.084 -4.848 5.944 91 HB2 CYS 12 2HB CYS 12 2.824 -6.205 3.922 92 HB3 CYS 12 1HB CYS 12 4.297 -7.097 4.265 93 H ASN 13 H ASN 13 3.036 -6.094 7.812 94 HA ASN 13 HA ASN 13 5.628 -6.755 9.079 95 HB2 ASN 13 2HB ASN 13 4.169 -6.810 11.214 96 HB3 ASN 13 1HB ASN 13 4.412 -5.241 10.454 97 HD21 ASN 13 1HD2 ASN 13 2.692 -4.224 9.430 98 HD22 ASN 13 2HD2 ASN 13 1.057 -4.699 9.696 99 H LYS 14 H LYS 14 2.737 -8.131 7.806 100 HA LYS 14 HA LYS 14 2.985 -10.702 9.112 101 HB2 LYS 14 2HB LYS 14 1.147 -9.803 6.855 102 HB3 LYS 14 1HB LYS 14 1.075 -11.374 7.655 103 HG2 LYS 14 2HG LYS 14 0.641 -10.185 9.822 104 HG3 LYS 14 1HG LYS 14 0.561 -8.665 8.923 105 HD2 LYS 14 2HD LYS 14 -1.365 -9.538 7.622 106 HD3 LYS 14 1HD LYS 14 -1.271 -11.070 8.497 107 HE2 LYS 14 2HE LYS 14 -1.817 -9.911 10.604 108 HE3 LYS 14 1HE LYS 14 -1.855 -8.365 9.756 109 HZ1 LYS 14 3HZ LYS 14 -3.666 -10.656 9.242 110 HZ2 LYS 14 1HZ LYS 14 -3.709 -9.163 8.449 111 HZ3 LYS 14 2HZ LYS 14 -4.065 -9.258 10.099 112 H CYS 15 H CYS 15 2.867 -9.992 5.521 113 HA CYS 15 HA CYS 15 4.615 -12.285 5.063 114 HB2 CYS 15 2HB CYS 15 4.300 -11.620 2.625 115 HB3 CYS 15 1HB CYS 15 2.832 -12.039 3.504 116 H GLY 16 H GLY 16 4.996 -8.867 5.438 117 HA2 GLY 16 2HA GLY 16 6.915 -7.612 5.631 118 HA3 GLY 16 1HA GLY 16 7.856 -9.073 5.396 119 H VAL 17 H VAL 17 5.455 -7.799 3.177 120 HA VAL 17 HA VAL 17 7.481 -7.528 1.045 121 HB VAL 17 HB VAL 17 5.566 -7.579 -0.530 122 HG11 VAL 17 1HG1 VAL 17 4.797 -9.910 -0.129 123 HG12 VAL 17 2HG1 VAL 17 5.421 -9.830 1.519 124 HG13 VAL 17 3HG1 VAL 17 6.533 -9.742 0.154 125 HG21 VAL 17 3HG2 VAL 17 3.248 -7.957 0.297 126 HG22 VAL 17 1HG2 VAL 17 3.884 -6.398 0.824 127 HG23 VAL 17 2HG2 VAL 17 3.809 -7.751 1.957 128 H GLN 18 H GLN 18 7.353 -5.679 -0.407 129 HA GLN 18 HA GLN 18 6.529 -3.176 0.918 130 HB2 GLN 18 2HB GLN 18 8.894 -3.390 0.042 131 HB3 GLN 18 1HB GLN 18 8.252 -3.525 -1.590 132 HG2 GLN 18 2HG GLN 18 7.647 -1.112 0.142 133 HG3 GLN 18 1HG GLN 18 9.154 -1.227 -0.757 134 HE21 GLN 18 1HE2 GLN 18 6.919 0.696 -1.012 135 HE22 GLN 18 2HE2 GLN 18 6.393 0.616 -2.654 136 H ASN 19 H ASN 19 4.455 -2.819 0.543 137 HA ASN 19 HA ASN 19 3.329 -3.162 -2.177 138 HB2 ASN 19 2HB ASN 19 2.097 -3.195 0.577 139 HB3 ASN 19 1HB ASN 19 1.110 -2.636 -0.767 140 HD21 ASN 19 1HD2 ASN 19 3.577 -5.149 -1.003 141 HD22 ASN 19 2HD2 ASN 19 2.486 -6.428 -1.312 142 H PHE 20 H PHE 20 1.785 -1.521 -2.865 143 HA PHE 20 HA PHE 20 2.669 1.158 -2.799 144 HB2 PHE 20 2HB PHE 20 -0.065 -0.009 -3.546 145 HB3 PHE 20 1HB PHE 20 0.400 1.667 -3.824 146 HD1 PHE 20 1HD PHE 20 1.597 -1.830 -4.633 147 HD2 PHE 20 2HD PHE 20 1.237 2.232 -5.943 148 HE1 PHE 20 1HE PHE 20 2.487 -2.457 -6.836 149 HE2 PHE 20 2HE PHE 20 2.138 1.593 -8.142 150 HZ PHE 20 HZ PHE 20 2.758 -0.749 -8.595 151 H LYS 21 H LYS 21 1.817 2.956 -1.648 152 HA LYS 21 HA LYS 21 0.580 2.555 0.855 153 HB2 LYS 21 2HB LYS 21 1.994 4.580 0.010 154 HB3 LYS 21 1HB LYS 21 0.490 5.173 -0.684 155 HG2 LYS 21 2HG LYS 21 -0.547 5.272 1.510 156 HG3 LYS 21 1HG LYS 21 0.850 4.477 2.237 157 HD2 LYS 21 2HD LYS 21 0.878 6.873 2.697 158 HD3 LYS 21 1HD LYS 21 2.261 6.412 1.706 159 HE2 LYS 21 2HE LYS 21 1.274 7.387 -0.260 160 HE3 LYS 21 1HE LYS 21 -0.285 7.581 0.546 161 HZ1 LYS 21 3HZ LYS 21 0.919 9.658 0.419 162 HZ2 LYS 21 1HZ LYS 21 2.211 8.991 1.283 163 HZ3 LYS 21 2HZ LYS 21 0.707 9.184 2.028 164 H ARG 22 H ARG 22 -0.564 3.127 -2.394 165 HA ARG 22 HA ARG 22 -3.291 3.705 -1.956 166 HB2 ARG 22 2HB ARG 22 -1.985 2.223 -4.270 167 HB3 ARG 22 1HB ARG 22 -3.595 2.928 -4.308 168 HG2 ARG 22 2HG ARG 22 -0.942 4.390 -4.129 169 HG3 ARG 22 1HG ARG 22 -2.096 4.419 -5.467 170 HD2 ARG 22 2HD ARG 22 -2.493 5.597 -2.691 171 HD3 ARG 22 1HD ARG 22 -2.239 6.501 -4.187 172 HE ARG 22 HE ARG 22 -4.471 4.972 -4.655 173 HH11 ARG 22 1HH1 ARG 22 -3.637 7.429 -2.279 174 HH12 ARG 22 2HH1 ARG 22 -5.277 7.947 -2.073 175 HH21 ARG 22 1HH2 ARG 22 -6.598 5.623 -4.322 176 HH22 ARG 22 2HH2 ARG 22 -6.961 6.922 -3.232 177 H ARG 23 H ARG 23 -1.528 0.688 -1.833 178 HA ARG 23 HA ARG 23 -3.631 -1.188 -1.839 179 HB2 ARG 23 2HB ARG 23 -0.867 -1.178 -0.596 180 HB3 ARG 23 1HB ARG 23 -1.944 -2.541 -0.373 181 HG2 ARG 23 2HG ARG 23 -1.237 -1.580 -3.152 182 HG3 ARG 23 1HG ARG 23 -0.151 -2.637 -2.251 183 HD2 ARG 23 2HD ARG 23 -1.565 -3.980 -3.721 184 HD3 ARG 23 1HD ARG 23 -1.965 -4.315 -2.034 185 HE ARG 23 HE ARG 23 -3.582 -2.479 -3.710 186 HH11 ARG 23 1HH1 ARG 23 -3.457 -5.233 -1.521 187 HH12 ARG 23 2HH1 ARG 23 -5.181 -5.386 -1.438 188 HH21 ARG 23 1HH2 ARG 23 -5.823 -2.664 -3.553 189 HH22 ARG 23 2HH2 ARG 23 -6.529 -3.925 -2.592 190 H GLU 24 H GLU 24 -5.333 -1.100 -0.530 191 HA GLU 24 HA GLU 24 -5.412 0.171 2.043 192 HB2 GLU 24 2HB GLU 24 -7.342 -0.074 0.356 193 HB3 GLU 24 1HB GLU 24 -7.459 -1.759 0.828 194 HG2 GLU 24 2HG GLU 24 -7.808 0.530 2.796 195 HG3 GLU 24 1HG GLU 24 -9.145 -0.120 1.853 196 H LYS 25 H LYS 25 -5.069 -3.135 0.841 197 HA LYS 25 HA LYS 25 -3.855 -3.948 3.399 198 HB2 LYS 25 2HB LYS 25 -5.888 -5.580 1.811 199 HB3 LYS 25 1HB LYS 25 -4.877 -6.268 3.078 200 HG2 LYS 25 2HG LYS 25 -5.935 -4.824 4.751 201 HG3 LYS 25 1HG LYS 25 -6.913 -4.041 3.505 202 HD2 LYS 25 2HD LYS 25 -7.048 -6.978 4.310 203 HD3 LYS 25 1HD LYS 25 -8.208 -5.728 4.772 204 HE2 LYS 25 2HE LYS 25 -8.856 -5.430 2.419 205 HE3 LYS 25 1HE LYS 25 -7.640 -6.606 1.912 206 HZ1 LYS 25 3HZ LYS 25 -9.832 -7.577 2.004 207 HZ2 LYS 25 1HZ LYS 25 -9.973 -7.186 3.646 208 HZ3 LYS 25 2HZ LYS 25 -8.807 -8.303 3.138 209 H CYS 26 H CYS 26 -2.788 -6.318 2.842 210 HA CYS 26 HA CYS 26 -0.713 -5.816 0.964 211 HB2 CYS 26 2HB CYS 26 -1.570 -8.287 2.470 212 HB3 CYS 26 1HB CYS 26 -0.246 -8.352 1.304 213 H PHE 27 H PHE 27 -0.169 -7.069 -0.943 214 HA PHE 27 HA PHE 27 -2.314 -7.240 -2.799 215 HB2 PHE 27 2HB PHE 27 -0.669 -7.645 -4.469 216 HB3 PHE 27 1HB PHE 27 0.084 -6.569 -3.304 217 HD1 PHE 27 1HD PHE 27 1.526 -7.809 -1.397 218 HD2 PHE 27 2HD PHE 27 0.612 -9.490 -5.222 219 HE1 PHE 27 1HE PHE 27 3.471 -9.292 -1.226 220 HE2 PHE 27 2HE PHE 27 2.561 -10.965 -5.033 221 HZ PHE 27 HZ PHE 27 3.996 -10.871 -3.037 222 H LYS 28 H LYS 28 -1.269 -9.572 -0.540 223 HA LYS 28 HA LYS 28 -2.912 -11.619 -1.750 224 HB2 LYS 28 2HB LYS 28 -1.122 -13.349 -1.891 225 HB3 LYS 28 1HB LYS 28 -0.852 -12.008 -2.983 226 HG2 LYS 28 2HG LYS 28 1.291 -12.210 -2.206 227 HG3 LYS 28 1HG LYS 28 0.684 -11.122 -0.964 228 HD2 LYS 28 2HD LYS 28 0.261 -13.131 0.492 229 HD3 LYS 28 1HD LYS 28 0.966 -14.155 -0.758 230 HE2 LYS 28 2HE LYS 28 3.119 -12.933 -0.502 231 HE3 LYS 28 1HE LYS 28 2.392 -11.959 0.783 232 HZ1 LYS 28 3HZ LYS 28 3.664 -13.785 1.695 233 HZ2 LYS 28 1HZ LYS 28 2.743 -14.907 0.818 234 HZ3 LYS 28 2HZ LYS 28 2.021 -13.995 2.046 235 H CYS 29 H CYS 29 -0.648 -10.783 0.935 236 HA CYS 29 HA CYS 29 -1.439 -13.011 2.579 237 HB2 CYS 29 2HB CYS 29 0.812 -12.078 2.659 238 HB3 CYS 29 1HB CYS 29 0.182 -10.507 3.151 239 H GLY 30 H GLY 30 -1.528 -9.599 3.595 240 HA2 GLY 30 2HA GLY 30 -3.692 -8.420 3.448 241 HA3 GLY 30 1HA GLY 30 -4.438 -9.841 4.149 242 H VAL 31 H VAL 31 -1.817 -7.477 4.873 243 HA VAL 31 HA VAL 31 -3.061 -7.138 7.544 244 HB VAL 31 HB VAL 31 -0.555 -7.460 7.554 245 HG11 VAL 31 1HG1 VAL 31 -0.414 -4.790 6.114 246 HG12 VAL 31 2HG1 VAL 31 0.050 -6.358 5.452 247 HG13 VAL 31 3HG1 VAL 31 0.955 -5.670 6.800 248 HG21 VAL 31 3HG2 VAL 31 -0.045 -5.600 9.102 249 HG22 VAL 31 1HG2 VAL 31 -1.653 -6.260 9.403 250 HG23 VAL 31 2HG2 VAL 31 -1.474 -4.730 8.545 251 HA PRO 32 HA PRO 32 -4.994 -3.425 5.785 252 HB2 PRO 32 2HB PRO 32 -5.534 -2.094 8.186 253 HB3 PRO 32 1HB PRO 32 -6.566 -3.367 7.496 254 HG2 PRO 32 2HG PRO 32 -4.486 -3.585 9.646 255 HG3 PRO 32 1HG PRO 32 -6.093 -4.342 9.548 256 HD2 PRO 32 2HD PRO 32 -3.847 -5.733 8.969 257 HD3 PRO 32 1HD PRO 32 -5.363 -6.019 8.087 258 H LYS 33 H LYS 33 -4.392 -1.345 5.388 259 HA LYS 33 HA LYS 33 -1.667 -0.654 5.456 260 HB2 LYS 33 2HB LYS 33 -3.269 0.069 3.700 261 HB3 LYS 33 1HB LYS 33 -4.122 1.049 4.884 262 HG2 LYS 33 2HG LYS 33 -1.821 2.276 5.168 263 HG3 LYS 33 1HG LYS 33 -1.409 1.511 3.636 264 HD2 LYS 33 2HD LYS 33 -2.231 3.760 3.246 265 HD3 LYS 33 1HD LYS 33 -3.382 2.591 2.586 266 HE2 LYS 33 2HE LYS 33 -4.852 2.891 4.510 267 HE3 LYS 33 1HE LYS 33 -3.658 3.921 5.304 268 HZ1 LYS 33 3HZ LYS 33 -5.068 4.537 2.779 269 HZ2 LYS 33 1HZ LYS 33 -3.923 5.527 3.538 270 HZ3 LYS 33 2HZ LYS 33 -5.402 5.207 4.294 271 H SER 34 H SER 34 -4.435 0.300 7.421 272 HA SER 34 HA SER 34 -3.342 2.387 8.937 273 HB2 SER 34 2HB SER 34 -5.756 1.871 8.880 274 HB3 SER 34 1HB SER 34 -5.467 0.326 9.687 275 HG SER 34 HG SER 34 -4.930 1.420 11.544 276 H GLU 35 H GLU 35 -2.917 -1.065 9.140 277 HA GLU 35 HA GLU 35 -1.445 -0.921 11.702 278 HB2 GLU 35 2HB GLU 35 -3.383 -2.540 11.436 279 HB3 GLU 35 1HB GLU 35 -2.481 -3.352 10.163 280 HG2 GLU 35 2HG GLU 35 -0.754 -4.009 11.781 281 HG3 GLU 35 1HG GLU 35 -1.591 -3.130 13.055 282 H ALA 36 H ALA 36 -0.335 0.090 9.197 283 HA ALA 36 HA ALA 36 2.235 -1.279 9.221 284 HB1 ALA 36 1HB ALA 36 0.702 -1.006 6.602 285 HB2 ALA 36 2HB ALA 36 0.993 -2.527 7.457 286 HB3 ALA 36 3HB ALA 36 2.351 -1.614 6.793 287 H GLU 37 H GLU 37 0.556 0.935 7.001 288 HA GLU 37 HA GLU 37 2.544 3.012 7.140 289 HB2 GLU 37 2HB GLU 37 0.685 2.313 5.261 290 HB3 GLU 37 1HB GLU 37 -0.230 3.574 6.070 291 HG2 GLU 37 2HG GLU 37 2.519 3.891 4.830 292 HG3 GLU 37 1HG GLU 37 1.002 4.349 4.067 293 H GLN 38 H GLN 38 2.709 3.617 9.251 294 HA GLN 38 HA GLN 38 0.612 3.837 11.119 295 HB2 GLN 38 2HB GLN 38 3.383 5.118 11.191 296 HB3 GLN 38 1HB GLN 38 2.314 4.904 12.576 297 HG2 GLN 38 2HG GLN 38 2.513 2.448 12.352 298 HG3 GLN 38 1HG GLN 38 3.563 2.657 10.954 299 HE21 GLN 38 1HE2 GLN 38 5.694 3.468 11.282 300 HE22 GLN 38 2HE2 GLN 38 6.443 3.437 12.837 301 H LYS 39 H LYS 39 -0.621 5.558 11.783 302 HA LYS 39 HA LYS 39 -0.826 7.825 9.973 303 HB2 LYS 39 2HB LYS 39 -2.558 6.976 12.342 304 HB3 LYS 39 1HB LYS 39 -2.864 8.407 11.376 305 HG2 LYS 39 2HG LYS 39 -4.370 6.694 10.651 306 HG3 LYS 39 1HG LYS 39 -3.190 6.959 9.371 307 HD2 LYS 39 2HD LYS 39 -3.689 4.562 9.662 308 HD3 LYS 39 1HD LYS 39 -1.994 4.906 10.009 309 HE2 LYS 39 2HE LYS 39 -2.877 3.342 11.659 310 HE3 LYS 39 1HE LYS 39 -2.510 4.874 12.444 311 HZ1 LYS 39 3HZ LYS 39 -4.599 4.058 13.217 312 HZ2 LYS 39 1HZ LYS 39 -5.190 3.887 11.642 313 HZ3 LYS 39 2HZ LYS 39 -4.889 5.426 12.272 314 H LEU 40 H LEU 40 1.348 8.625 10.666 315 HA LEU 40 HA LEU 40 1.624 9.981 13.186 316 HB2 LEU 40 2HB LEU 40 3.172 10.052 10.567 317 HB3 LEU 40 1HB LEU 40 3.497 11.259 11.799 318 HG LEU 40 HG LEU 40 4.090 9.410 13.406 319 HD11 LEU 40 1HD1 LEU 40 4.587 7.167 12.572 320 HD12 LEU 40 2HD1 LEU 40 3.903 7.583 10.998 321 HD13 LEU 40 3HD1 LEU 40 2.875 7.548 12.432 322 HD21 LEU 40 3HD2 LEU 40 5.844 10.633 12.233 323 HD22 LEU 40 1HD2 LEU 40 5.759 9.507 10.872 324 HD23 LEU 40 2HD2 LEU 40 6.305 8.950 12.456 325 HA PRO 41 HA PRO 41 -0.802 13.614 12.014 326 HB2 PRO 41 2HB PRO 41 0.699 15.131 14.103 327 HB3 PRO 41 1HB PRO 41 -1.028 14.719 14.045 328 HG2 PRO 41 2HG PRO 41 0.600 13.541 15.813 329 HG3 PRO 41 1HG PRO 41 -0.715 12.638 15.026 330 HD2 PRO 41 2HD PRO 41 2.228 12.659 14.311 331 HD3 PRO 41 1HD PRO 41 1.128 11.272 14.518 332 H LEU 42 H LEU 42 0.000 16.252 12.134 333 HA LEU 42 HA LEU 42 0.817 17.885 10.850 334 HB2 LEU 42 2HB LEU 42 3.374 16.227 10.806 335 HB3 LEU 42 1HB LEU 42 3.254 17.877 10.232 336 HG LEU 42 HG LEU 42 4.277 18.067 12.341 337 HD11 LEU 42 1HD1 LEU 42 2.738 19.299 13.748 338 HD12 LEU 42 2HD1 LEU 42 1.355 18.628 12.881 339 HD13 LEU 42 3HD1 LEU 42 2.494 19.692 12.049 340 HD21 LEU 42 3HD2 LEU 42 2.231 16.195 13.576 341 HD22 LEU 42 1HD2 LEU 42 3.547 17.015 14.421 342 HD23 LEU 42 2HD2 LEU 42 3.911 15.805 13.195 343 H GLY 43 H GLY 43 -0.612 15.694 9.678 344 HA2 GLY 43 2HA GLY 43 -0.863 16.166 7.046 345 HA3 GLY 43 1HA GLY 43 0.528 15.071 7.086 Start of MODEL 4 1 H1 GLY 1 H GLY 1 17.600 3.537 -4.196 2 HA2 GLY 1 1HA GLY 1 15.108 3.283 -2.865 3 HA3 GLY 1 2HA GLY 1 16.365 2.661 -1.800 4 H HIS 2 H HIS 2 15.206 4.577 -0.667 5 HA HIS 2 HA HIS 2 15.474 6.489 0.469 6 HB2 HIS 2 2HB HIS 2 17.949 5.813 0.419 7 HB3 HIS 2 1HB HIS 2 18.155 6.938 -0.917 8 HD1 HIS 2 1HD HIS 2 17.489 6.791 2.775 9 HD2 HIS 2 2HD HIS 2 18.259 9.668 -0.126 10 HE1 HIS 2 1HE HIS 2 17.950 8.912 4.023 11 HE2 HIS 2 2HE HIS 2 18.415 10.638 2.252 12 H MET 3 H MET 3 14.461 6.351 -2.456 13 HA MET 3 HA MET 3 14.492 9.259 -3.062 14 HB2 MET 3 2HB MET 3 15.826 7.885 -4.705 15 HB3 MET 3 1HB MET 3 14.370 6.983 -5.094 16 HG2 MET 3 2HG MET 3 13.318 9.098 -5.896 17 HG3 MET 3 1HG MET 3 14.829 9.943 -5.567 18 HE1 MET 3 3HE MET 3 14.254 6.746 -8.852 19 HE2 MET 3 1HE MET 3 12.935 7.441 -7.909 20 HE3 MET 3 2HE MET 3 14.101 6.359 -7.138 21 HA PRO 4 HA PRO 4 10.031 8.087 -2.471 22 HB2 PRO 4 2HB PRO 4 9.288 10.235 -0.975 23 HB3 PRO 4 1HB PRO 4 10.158 8.864 -0.253 24 HG2 PRO 4 2HG PRO 4 11.242 11.534 -1.121 25 HG3 PRO 4 1HG PRO 4 11.588 10.612 0.360 26 HD2 PRO 4 2HD PRO 4 13.250 10.605 -1.841 27 HD3 PRO 4 1HD PRO 4 13.155 9.261 -0.685 28 H LYS 5 H LYS 5 8.348 8.730 -3.799 29 HA LYS 5 HA LYS 5 8.041 11.424 -4.766 30 HB2 LYS 5 2HB LYS 5 9.765 10.657 -6.353 31 HB3 LYS 5 1HB LYS 5 8.786 9.261 -6.777 32 HG2 LYS 5 2HG LYS 5 7.102 10.690 -7.804 33 HG3 LYS 5 1HG LYS 5 7.943 12.139 -7.253 34 HD2 LYS 5 2HD LYS 5 9.831 11.647 -8.744 35 HD3 LYS 5 1HD LYS 5 9.075 10.132 -9.255 36 HE2 LYS 5 2HE LYS 5 8.785 11.992 -10.913 37 HE3 LYS 5 1HE LYS 5 7.255 11.351 -10.318 38 HZ1 LYS 5 3HZ LYS 5 7.058 13.223 -8.836 39 HZ2 LYS 5 1HZ LYS 5 7.276 13.770 -10.422 40 HZ3 LYS 5 2HZ LYS 5 8.563 13.824 -9.325 41 H ILE 6 H ILE 6 6.082 11.285 -3.792 42 HA ILE 6 HA ILE 6 3.870 11.082 -3.589 43 HB ILE 6 HB ILE 6 3.925 9.536 -6.213 44 HG12 ILE 6 2HG1 ILE 6 3.155 12.421 -5.568 45 HG13 ILE 6 1HG1 ILE 6 4.613 11.898 -6.401 46 HG21 ILE 6 1HG2 ILE 6 1.487 10.559 -4.712 47 HG22 ILE 6 2HG2 ILE 6 1.930 8.864 -4.935 48 HG23 ILE 6 3HG2 ILE 6 1.480 9.845 -6.329 49 HD11 ILE 6 3HD1 ILE 6 3.016 12.812 -7.953 50 HD12 ILE 6 1HD1 ILE 6 1.791 11.650 -7.443 51 HD13 ILE 6 2HD1 ILE 6 3.250 11.095 -8.269 52 H ASN 7 H ASN 7 5.280 7.933 -4.604 53 HA ASN 7 HA ASN 7 3.758 6.352 -2.824 54 HB2 ASN 7 2HB ASN 7 5.479 4.563 -3.283 55 HB3 ASN 7 1HB ASN 7 4.769 5.251 -4.725 56 HD21 ASN 7 1HD2 ASN 7 6.097 6.454 -6.145 57 HD22 ASN 7 2HD2 ASN 7 7.817 6.474 -6.008 58 H GLU 8 H GLU 8 3.777 7.397 -0.814 59 HA GLU 8 HA GLU 8 6.162 7.415 0.809 60 HB2 GLU 8 2HB GLU 8 4.271 8.945 1.325 61 HB3 GLU 8 1HB GLU 8 3.225 7.562 1.606 62 HG2 GLU 8 2HG GLU 8 4.005 8.618 3.723 63 HG3 GLU 8 1HG GLU 8 4.473 6.920 3.588 64 H ASP 9 H ASP 9 3.518 5.267 0.038 65 HA ASP 9 HA ASP 9 3.279 3.042 0.057 66 HB2 ASP 9 2HB ASP 9 5.777 3.449 -0.836 67 HB3 ASP 9 1HB ASP 9 6.207 2.598 0.644 68 H TRP 10 H TRP 10 4.219 0.916 1.498 69 HA TRP 10 HA TRP 10 5.007 1.535 4.152 70 HB2 TRP 10 2HB TRP 10 3.083 0.465 5.364 71 HB3 TRP 10 1HB TRP 10 2.720 2.022 4.644 72 HD1 TRP 10 HD TRP 10 0.948 2.061 2.615 73 HE1 TRP 10 1HE TRP 10 -0.906 0.400 1.956 74 HE3 TRP 10 3HE TRP 10 2.565 -2.037 5.196 75 HZ2 TRP 10 2HZ TRP 10 -1.582 -2.274 2.446 76 HZ3 TRP 10 3HZ TRP 10 1.261 -4.118 5.039 77 HH2 TRP 10 HH TRP 10 -0.773 -4.239 3.688 78 H LEU 11 H LEU 11 5.974 -0.110 5.118 79 HA LEU 11 HA LEU 11 6.292 -2.617 3.634 80 HB2 LEU 11 2HB LEU 11 8.215 -1.038 4.559 81 HB3 LEU 11 1HB LEU 11 7.896 -1.818 6.089 82 HG LEU 11 HG LEU 11 9.855 -2.768 4.899 83 HD11 LEU 11 1HD1 LEU 11 7.631 -4.791 5.161 84 HD12 LEU 11 2HD1 LEU 11 8.734 -4.254 6.432 85 HD13 LEU 11 3HD1 LEU 11 9.358 -5.148 5.046 86 HD21 LEU 11 3HD2 LEU 11 7.914 -3.641 2.747 87 HD22 LEU 11 1HD2 LEU 11 9.631 -4.047 2.841 88 HD23 LEU 11 2HD2 LEU 11 9.133 -2.372 2.601 89 H CYS 12 H CYS 12 5.275 -4.402 4.345 90 HA CYS 12 HA CYS 12 3.457 -4.345 6.528 91 HB2 CYS 12 2HB CYS 12 2.981 -5.672 4.530 92 HB3 CYS 12 1HB CYS 12 4.422 -6.642 4.786 93 H ASN 13 H ASN 13 3.412 -5.855 8.348 94 HA ASN 13 HA ASN 13 6.069 -6.702 9.361 95 HB2 ASN 13 2HB ASN 13 5.007 -6.758 11.615 96 HB3 ASN 13 1HB ASN 13 4.912 -5.161 10.887 97 HD21 ASN 13 1HD2 ASN 13 2.919 -4.361 10.271 98 HD22 ASN 13 2HD2 ASN 13 1.413 -5.081 10.727 99 H LYS 14 H LYS 14 2.944 -7.748 8.316 100 HA LYS 14 HA LYS 14 2.943 -10.347 9.529 101 HB2 LYS 14 2HB LYS 14 1.256 -9.206 7.270 102 HB3 LYS 14 1HB LYS 14 0.938 -10.739 8.074 103 HG2 LYS 14 2HG LYS 14 0.877 -7.999 9.366 104 HG3 LYS 14 1HG LYS 14 -0.535 -8.931 8.868 105 HD2 LYS 14 2HD LYS 14 1.454 -9.870 10.974 106 HD3 LYS 14 1HD LYS 14 -0.014 -8.960 11.336 107 HE2 LYS 14 2HE LYS 14 -0.560 -11.231 11.712 108 HE3 LYS 14 1HE LYS 14 -1.308 -10.813 10.174 109 HZ1 LYS 14 3HZ LYS 14 0.486 -11.947 9.021 110 HZ2 LYS 14 1HZ LYS 14 -0.237 -12.993 10.133 111 HZ3 LYS 14 2HZ LYS 14 1.255 -12.292 10.487 112 H CYS 15 H CYS 15 2.960 -9.521 5.962 113 HA CYS 15 HA CYS 15 4.553 -11.942 5.446 114 HB2 CYS 15 2HB CYS 15 4.192 -11.289 3.045 115 HB3 CYS 15 1HB CYS 15 2.698 -11.519 3.948 116 H GLY 16 H GLY 16 4.838 -8.441 5.427 117 HA2 GLY 16 2HA GLY 16 6.738 -7.139 5.682 118 HA3 GLY 16 1HA GLY 16 7.752 -8.558 5.448 119 H VAL 17 H VAL 17 5.171 -7.339 3.350 120 HA VAL 17 HA VAL 17 7.045 -7.211 1.086 121 HB VAL 17 HB VAL 17 5.066 -7.133 -0.370 122 HG11 VAL 17 1HG1 VAL 17 4.161 -9.382 0.092 123 HG12 VAL 17 2HG1 VAL 17 4.883 -9.337 1.704 124 HG13 VAL 17 3HG1 VAL 17 5.916 -9.327 0.272 125 HG21 VAL 17 3HG2 VAL 17 3.526 -5.842 1.030 126 HG22 VAL 17 1HG2 VAL 17 3.423 -7.172 2.190 127 HG23 VAL 17 2HG2 VAL 17 2.773 -7.367 0.558 128 H GLN 18 H GLN 18 6.853 -5.496 -0.471 129 HA GLN 18 HA GLN 18 6.229 -2.812 0.596 130 HB2 GLN 18 2HB GLN 18 8.552 -3.206 -0.212 131 HB3 GLN 18 1HB GLN 18 7.950 -3.758 -1.765 132 HG2 GLN 18 2HG GLN 18 7.353 -0.956 -0.821 133 HG3 GLN 18 1HG GLN 18 8.929 -1.342 -1.502 134 HE21 GLN 18 1HE2 GLN 18 6.774 0.441 -2.498 135 HE22 GLN 18 2HE2 GLN 18 6.447 -0.093 -4.106 136 H ASN 19 H ASN 19 4.246 -2.015 -0.076 137 HA ASN 19 HA ASN 19 2.757 -3.494 -2.117 138 HB2 ASN 19 2HB ASN 19 0.794 -2.295 -1.309 139 HB3 ASN 19 1HB ASN 19 1.676 -2.950 0.061 140 HD21 ASN 19 1HD2 ASN 19 -0.162 -0.522 -0.484 141 HD22 ASN 19 2HD2 ASN 19 0.634 0.762 0.335 142 H PHE 20 H PHE 20 1.057 -1.240 -2.914 143 HA PHE 20 HA PHE 20 2.903 0.339 -4.601 144 HB2 PHE 20 2HB PHE 20 1.528 -1.376 -5.854 145 HB3 PHE 20 1HB PHE 20 0.064 -0.545 -5.348 146 HD1 PHE 20 1HD PHE 20 3.376 0.523 -6.797 147 HD2 PHE 20 2HD PHE 20 -0.899 0.692 -7.124 148 HE1 PHE 20 1HE PHE 20 3.571 2.003 -8.761 149 HE2 PHE 20 2HE PHE 20 -0.680 2.170 -9.080 150 HZ PHE 20 HZ PHE 20 1.548 2.812 -9.899 151 H LYS 21 H LYS 21 2.404 1.217 -2.092 152 HA LYS 21 HA LYS 21 1.599 2.673 -0.655 153 HB2 LYS 21 2HB LYS 21 1.384 5.006 -1.324 154 HB3 LYS 21 1HB LYS 21 2.794 4.245 -2.021 155 HG2 LYS 21 2HG LYS 21 2.046 4.480 -4.202 156 HG3 LYS 21 1HG LYS 21 0.348 4.391 -3.749 157 HD2 LYS 21 2HD LYS 21 2.168 6.789 -3.307 158 HD3 LYS 21 1HD LYS 21 0.976 6.631 -4.597 159 HE2 LYS 21 2HE LYS 21 -0.821 6.479 -2.850 160 HE3 LYS 21 1HE LYS 21 0.406 6.764 -1.609 161 HZ1 LYS 21 3HZ LYS 21 -0.738 8.809 -2.203 162 HZ2 LYS 21 1HZ LYS 21 -0.282 8.630 -3.822 163 HZ3 LYS 21 2HZ LYS 21 0.892 8.895 -2.635 164 H ARG 22 H ARG 22 -0.701 3.325 -3.336 165 HA ARG 22 HA ARG 22 -2.894 4.030 -1.773 166 HB2 ARG 22 2HB ARG 22 -2.777 4.624 -4.096 167 HB3 ARG 22 1HB ARG 22 -2.705 2.945 -4.589 168 HG2 ARG 22 2HG ARG 22 -4.886 3.989 -5.076 169 HG3 ARG 22 1HG ARG 22 -5.047 2.607 -3.998 170 HD2 ARG 22 2HD ARG 22 -5.088 4.310 -2.068 171 HD3 ARG 22 1HD ARG 22 -5.251 5.554 -3.309 172 HE ARG 22 HE ARG 22 -7.402 4.747 -3.848 173 HH11 ARG 22 1HH1 ARG 22 -6.020 2.979 -1.133 174 HH12 ARG 22 2HH1 ARG 22 -7.544 2.338 -0.617 175 HH21 ARG 22 1HH2 ARG 22 -9.396 3.915 -3.154 176 HH22 ARG 22 2HH2 ARG 22 -9.475 2.871 -1.772 177 H ARG 23 H ARG 23 -1.722 0.856 -2.677 178 HA ARG 23 HA ARG 23 -3.908 -0.779 -2.099 179 HB2 ARG 23 2HB ARG 23 -0.961 -1.325 -1.535 180 HB3 ARG 23 1HB ARG 23 -2.227 -2.550 -1.524 181 HG2 ARG 23 2HG ARG 23 -1.634 -0.896 -3.985 182 HG3 ARG 23 1HG ARG 23 -0.719 -2.349 -3.604 183 HD2 ARG 23 2HD ARG 23 -2.451 -2.884 -5.196 184 HD3 ARG 23 1HD ARG 23 -2.824 -3.666 -3.659 185 HE ARG 23 HE ARG 23 -4.150 -1.157 -3.905 186 HH11 ARG 23 1HH1 ARG 23 -4.315 -4.495 -5.051 187 HH12 ARG 23 2HH1 ARG 23 -6.022 -4.439 -5.329 188 HH21 ARG 23 1HH2 ARG 23 -6.402 -1.113 -4.248 189 HH22 ARG 23 2HH2 ARG 23 -7.204 -2.517 -4.877 190 H GLU 24 H GLU 24 -5.107 -0.214 -0.376 191 HA GLU 24 HA GLU 24 -4.379 0.685 2.150 192 HB2 GLU 24 2HB GLU 24 -6.644 0.885 1.366 193 HB3 GLU 24 1HB GLU 24 -6.809 -0.860 1.178 194 HG2 GLU 24 2HG GLU 24 -6.662 -1.094 3.672 195 HG3 GLU 24 1HG GLU 24 -6.593 0.669 3.798 196 H LYS 25 H LYS 25 -4.899 -2.573 0.964 197 HA LYS 25 HA LYS 25 -3.700 -3.737 3.404 198 HB2 LYS 25 2HB LYS 25 -5.744 -4.967 1.494 199 HB3 LYS 25 1HB LYS 25 -5.020 -5.793 2.877 200 HG2 LYS 25 2HG LYS 25 -6.057 -4.132 4.396 201 HG3 LYS 25 1HG LYS 25 -6.801 -3.329 3.009 202 HD2 LYS 25 2HD LYS 25 -7.336 -6.186 3.938 203 HD3 LYS 25 1HD LYS 25 -8.408 -4.802 4.180 204 HE2 LYS 25 2HE LYS 25 -8.627 -4.588 1.698 205 HE3 LYS 25 1HE LYS 25 -7.626 -6.031 1.507 206 HZ1 LYS 25 3HZ LYS 25 -10.250 -5.913 2.897 207 HZ2 LYS 25 1HZ LYS 25 -9.289 -7.291 2.725 208 HZ3 LYS 25 2HZ LYS 25 -9.970 -6.562 1.364 209 H CYS 26 H CYS 26 -2.217 -5.489 3.092 210 HA CYS 26 HA CYS 26 -0.403 -5.409 0.993 211 HB2 CYS 26 2HB CYS 26 -1.055 -7.537 3.036 212 HB3 CYS 26 1HB CYS 26 0.079 -7.900 1.744 213 H PHE 27 H PHE 27 -0.421 -6.112 -1.045 214 HA PHE 27 HA PHE 27 -2.656 -6.922 -2.450 215 HB2 PHE 27 2HB PHE 27 -1.096 -7.379 -4.351 216 HB3 PHE 27 1HB PHE 27 -0.794 -5.853 -3.550 217 HD1 PHE 27 2HD PHE 27 1.193 -5.571 -2.060 218 HD2 PHE 27 1HD PHE 27 0.632 -9.082 -4.445 219 HE1 PHE 27 2HE PHE 27 3.568 -6.129 -1.803 220 HE2 PHE 27 1HE PHE 27 3.012 -9.621 -4.186 221 HZ PHE 27 HZ PHE 27 4.479 -8.153 -2.866 222 H LYS 28 H LYS 28 -0.476 -8.976 -0.705 223 HA LYS 28 HA LYS 28 -1.811 -11.398 -1.771 224 HB2 LYS 28 2HB LYS 28 0.358 -12.601 -1.135 225 HB3 LYS 28 1HB LYS 28 0.414 -11.535 -2.520 226 HG2 LYS 28 2HG LYS 28 2.401 -11.017 -1.474 227 HG3 LYS 28 1HG LYS 28 1.346 -9.751 -0.856 228 HD2 LYS 28 2HD LYS 28 2.765 -10.614 0.898 229 HD3 LYS 28 1HD LYS 28 1.100 -11.062 1.244 230 HE2 LYS 28 2HE LYS 28 2.558 -12.938 1.745 231 HE3 LYS 28 1HE LYS 28 1.585 -13.359 0.335 232 HZ1 LYS 28 3HZ LYS 28 3.497 -12.720 -1.063 233 HZ2 LYS 28 1HZ LYS 28 3.861 -14.001 -0.020 234 HZ3 LYS 28 2HZ LYS 28 4.411 -12.441 0.326 235 H CYS 29 H CYS 29 -0.467 -9.921 1.246 236 HA CYS 29 HA CYS 29 -1.360 -12.159 2.859 237 HB2 CYS 29 2HB CYS 29 0.798 -11.061 3.234 238 HB3 CYS 29 1HB CYS 29 -0.007 -9.542 3.569 239 H GLY 30 H GLY 30 -2.360 -8.813 2.263 240 HA2 GLY 30 2HA GLY 30 -4.460 -7.902 2.378 241 HA3 GLY 30 1HA GLY 30 -5.056 -9.396 3.087 242 H VAL 31 H VAL 31 -2.372 -7.936 4.717 243 HA VAL 31 HA VAL 31 -3.937 -7.231 7.024 244 HB VAL 31 HB VAL 31 -1.674 -8.021 7.410 245 HG11 VAL 31 1HG1 VAL 31 -0.624 -7.350 5.305 246 HG12 VAL 31 2HG1 VAL 31 0.336 -6.823 6.688 247 HG13 VAL 31 3HG1 VAL 31 -0.657 -5.655 5.811 248 HG21 VAL 31 3HG2 VAL 31 -0.721 -6.250 8.840 249 HG22 VAL 31 1HG2 VAL 31 -2.468 -6.372 9.051 250 HG23 VAL 31 2HG2 VAL 31 -1.786 -5.059 8.085 251 HA PRO 32 HA PRO 32 -5.013 -3.016 5.638 252 HB2 PRO 32 2HB PRO 32 -5.703 -2.025 8.172 253 HB3 PRO 32 1HB PRO 32 -6.806 -2.945 7.121 254 HG2 PRO 32 2HG PRO 32 -5.101 -3.935 9.400 255 HG3 PRO 32 1HG PRO 32 -6.800 -4.316 9.024 256 HD2 PRO 32 2HD PRO 32 -4.873 -6.054 8.387 257 HD3 PRO 32 1HD PRO 32 -6.221 -5.777 7.260 258 H LYS 33 H LYS 33 -4.051 -1.021 5.671 259 HA LYS 33 HA LYS 33 -1.361 -0.682 6.271 260 HB2 LYS 33 2HB LYS 33 -2.838 0.712 4.676 261 HB3 LYS 33 1HB LYS 33 -3.333 1.634 6.082 262 HG2 LYS 33 2HG LYS 33 -0.444 1.539 6.037 263 HG3 LYS 33 1HG LYS 33 -1.003 1.983 4.433 264 HD2 LYS 33 2HD LYS 33 -0.631 4.029 5.599 265 HD3 LYS 33 1HD LYS 33 -2.378 3.822 5.517 266 HE2 LYS 33 2HE LYS 33 -2.490 3.202 7.854 267 HE3 LYS 33 1HE LYS 33 -0.735 3.066 7.956 268 HZ1 LYS 33 3HZ LYS 33 -0.504 5.421 7.663 269 HZ2 LYS 33 1HZ LYS 33 -1.596 5.156 8.934 270 HZ3 LYS 33 2HZ LYS 33 -2.168 5.612 7.406 271 H SER 34 H SER 34 -4.197 0.107 8.206 272 HA SER 34 HA SER 34 -2.853 1.661 10.184 273 HB2 SER 34 2HB SER 34 -5.279 1.874 9.617 274 HB3 SER 34 1HB SER 34 -5.567 0.297 10.358 275 HG SER 34 HG SER 34 -4.229 1.736 12.123 276 H GLU 35 H GLU 35 -2.871 -1.706 9.673 277 HA GLU 35 HA GLU 35 -2.170 -2.317 12.489 278 HB2 GLU 35 2HB GLU 35 -3.917 -3.745 11.350 279 HB3 GLU 35 1HB GLU 35 -2.691 -4.281 10.207 280 HG2 GLU 35 2HG GLU 35 -1.420 -5.354 11.996 281 HG3 GLU 35 1HG GLU 35 -2.513 -4.698 13.213 282 H ALA 36 H ALA 36 -0.802 -1.838 9.330 283 HA ALA 36 HA ALA 36 1.805 -3.003 10.095 284 HB1 ALA 36 1HB ALA 36 0.910 -3.542 7.847 285 HB2 ALA 36 2HB ALA 36 2.446 -2.671 7.768 286 HB3 ALA 36 3HB ALA 36 0.935 -1.819 7.440 287 H GLU 37 H GLU 37 0.785 -0.040 8.438 288 HA GLU 37 HA GLU 37 3.144 1.421 9.322 289 HB2 GLU 37 2HB GLU 37 2.073 1.301 6.928 290 HB3 GLU 37 1HB GLU 37 0.930 2.482 7.532 291 HG2 GLU 37 2HG GLU 37 3.917 2.972 7.608 292 HG3 GLU 37 1HG GLU 37 2.988 3.273 6.150 293 H GLN 38 H GLN 38 2.865 3.661 10.068 294 HA GLN 38 HA GLN 38 1.402 3.745 12.504 295 HB2 GLN 38 2HB GLN 38 2.851 6.047 11.119 296 HB3 GLN 38 1HB GLN 38 2.543 5.871 12.850 297 HG2 GLN 38 2HG GLN 38 4.123 4.019 12.968 298 HG3 GLN 38 1HG GLN 38 4.336 4.042 11.222 299 HE21 GLN 38 1HE2 GLN 38 5.489 5.801 10.264 300 HE22 GLN 38 2HE2 GLN 38 6.605 6.741 11.195 301 H LYS 39 H LYS 39 -0.397 4.889 13.061 302 HA LYS 39 HA LYS 39 -2.091 6.130 11.016 303 HB2 LYS 39 2HB LYS 39 -3.786 6.233 12.800 304 HB3 LYS 39 1HB LYS 39 -3.079 4.621 12.720 305 HG2 LYS 39 2HG LYS 39 -1.706 5.058 14.685 306 HG3 LYS 39 1HG LYS 39 -2.249 6.739 14.735 307 HD2 LYS 39 2HD LYS 39 -4.575 5.949 15.189 308 HD3 LYS 39 1HD LYS 39 -3.996 4.278 15.177 309 HE2 LYS 39 2HE LYS 39 -2.562 4.755 17.115 310 HE3 LYS 39 1HE LYS 39 -3.084 6.438 17.105 311 HZ1 LYS 39 3HZ LYS 39 -4.774 4.063 17.640 312 HZ2 LYS 39 1HZ LYS 39 -5.359 5.646 17.515 313 HZ3 LYS 39 2HZ LYS 39 -4.294 5.234 18.761 314 H LEU 40 H LEU 40 -3.144 8.292 11.567 315 HA LEU 40 HA LEU 40 -1.234 10.190 12.788 316 HB2 LEU 40 2HB LEU 40 -3.607 10.628 10.929 317 HB3 LEU 40 1HB LEU 40 -2.744 11.942 11.709 318 HG LEU 40 HG LEU 40 -0.636 11.173 10.472 319 HD11 LEU 40 1HD1 LEU 40 -1.270 8.890 9.939 320 HD12 LEU 40 2HD1 LEU 40 -0.880 9.781 8.469 321 HD13 LEU 40 3HD1 LEU 40 -2.567 9.469 8.893 322 HD21 LEU 40 3HD2 LEU 40 -2.963 12.073 8.762 323 HD22 LEU 40 1HD2 LEU 40 -1.251 12.239 8.356 324 HD23 LEU 40 2HD2 LEU 40 -1.917 13.111 9.736 325 HA PRO 41 HA PRO 41 -4.076 10.506 16.311 326 HB2 PRO 41 2HB PRO 41 -2.894 13.176 16.880 327 HB3 PRO 41 1HB PRO 41 -2.851 11.703 17.869 328 HG2 PRO 41 2HG PRO 41 -0.633 12.600 16.640 329 HG3 PRO 41 1HG PRO 41 -0.972 10.858 16.790 330 HD2 PRO 41 2HD PRO 41 -1.412 12.655 14.395 331 HD3 PRO 41 1HD PRO 41 -0.669 11.035 14.461 332 H LEU 42 H LEU 42 -3.748 13.130 13.987 333 HA LEU 42 HA LEU 42 -6.085 14.598 14.884 334 HB2 LEU 42 2HB LEU 42 -4.250 14.986 12.481 335 HB3 LEU 42 1HB LEU 42 -5.614 16.029 12.830 336 HG LEU 42 HG LEU 42 -3.636 17.175 13.543 337 HD11 LEU 42 1HD1 LEU 42 -5.527 17.461 15.022 338 HD12 LEU 42 2HD1 LEU 42 -4.010 17.561 15.907 339 HD13 LEU 42 3HD1 LEU 42 -4.996 16.099 16.015 340 HD21 LEU 42 3HD2 LEU 42 -1.998 16.313 15.131 341 HD22 LEU 42 1HD2 LEU 42 -2.088 15.292 13.697 342 HD23 LEU 42 2HD2 LEU 42 -2.848 14.764 15.200 343 H GLY 43 H GLY 43 -7.919 13.434 14.597 344 HA2 GLY 43 2HA GLY 43 -9.808 12.837 13.425 345 HA3 GLY 43 1HA GLY 43 -8.938 13.062 11.916 Start of MODEL 5 1 H1 GLY 1 H GLY 1 14.698 20.207 0.110 2 HA2 GLY 1 1HA GLY 1 16.179 18.239 1.543 3 HA3 GLY 1 2HA GLY 1 14.467 17.878 1.734 4 H HIS 2 H HIS 2 14.583 15.958 0.511 5 HA HIS 2 HA HIS 2 15.432 16.077 -2.293 6 HB2 HIS 2 2HB HIS 2 16.198 14.155 -0.995 7 HB3 HIS 2 1HB HIS 2 14.547 13.755 -0.542 8 HD1 HIS 2 1HD HIS 2 13.791 11.762 -1.789 9 HD2 HIS 2 2HD HIS 2 16.301 14.128 -4.107 10 HE1 HIS 2 1HE HIS 2 13.947 10.610 -4.006 11 HE2 HIS 2 2HE HIS 2 15.663 11.921 -5.286 12 H MET 3 H MET 3 12.591 14.879 -0.477 13 HA MET 3 HA MET 3 10.398 14.675 -0.911 14 HB2 MET 3 2HB MET 3 10.444 17.134 -1.010 15 HB3 MET 3 1HB MET 3 10.863 17.081 -2.713 16 HG2 MET 3 2HG MET 3 8.644 16.045 -3.193 17 HG3 MET 3 1HG MET 3 8.226 16.221 -1.483 18 HE1 MET 3 3HE MET 3 6.485 17.453 -3.932 19 HE2 MET 3 1HE MET 3 6.104 19.046 -3.286 20 HE3 MET 3 2HE MET 3 6.017 17.629 -2.238 21 HA PRO 4 HA PRO 4 11.134 12.128 -4.727 22 HB2 PRO 4 2HB PRO 4 10.031 9.801 -3.784 23 HB3 PRO 4 1HB PRO 4 11.690 10.303 -3.389 24 HG2 PRO 4 2HG PRO 4 9.201 10.591 -1.732 25 HG3 PRO 4 1HG PRO 4 10.822 10.040 -1.244 26 HD2 PRO 4 2HD PRO 4 9.961 12.586 -0.794 27 HD3 PRO 4 1HD PRO 4 11.667 12.204 -1.106 28 H LYS 5 H LYS 5 8.208 12.697 -2.836 29 HA LYS 5 HA LYS 5 6.002 12.836 -3.265 30 HB2 LYS 5 2HB LYS 5 6.630 14.428 -5.056 31 HB3 LYS 5 1HB LYS 5 6.874 13.102 -6.185 32 HG2 LYS 5 2HG LYS 5 4.423 12.576 -6.000 33 HG3 LYS 5 1HG LYS 5 4.233 14.004 -4.984 34 HD2 LYS 5 2HD LYS 5 4.809 15.476 -6.801 35 HD3 LYS 5 1HD LYS 5 5.329 14.129 -7.819 36 HE2 LYS 5 2HE LYS 5 3.099 15.006 -8.479 37 HE3 LYS 5 1HE LYS 5 3.028 13.316 -7.980 38 HZ1 LYS 5 3HZ LYS 5 2.119 13.964 -5.879 39 HZ2 LYS 5 1HZ LYS 5 1.207 14.698 -7.095 40 HZ3 LYS 5 2HZ LYS 5 2.329 15.605 -6.215 41 H ILE 6 H ILE 6 4.112 11.612 -4.108 42 HA ILE 6 HA ILE 6 2.886 9.771 -4.327 43 HB ILE 6 HB ILE 6 3.104 8.349 -6.264 44 HG12 ILE 6 2HG1 ILE 6 5.931 9.420 -6.734 45 HG13 ILE 6 1HG1 ILE 6 5.548 7.820 -6.114 46 HG21 ILE 6 1HG2 ILE 6 2.311 10.612 -6.688 47 HG22 ILE 6 2HG2 ILE 6 3.205 9.998 -8.079 48 HG23 ILE 6 3HG2 ILE 6 3.963 11.162 -6.990 49 HD11 ILE 6 3HD1 ILE 6 6.126 7.705 -8.452 50 HD12 ILE 6 1HD1 ILE 6 4.855 8.859 -8.864 51 HD13 ILE 6 2HD1 ILE 6 4.434 7.268 -8.225 52 H ASN 7 H ASN 7 5.388 9.622 -2.566 53 HA ASN 7 HA ASN 7 5.809 6.740 -2.307 54 HB2 ASN 7 2HB ASN 7 7.799 8.218 -2.233 55 HB3 ASN 7 1HB ASN 7 7.108 9.125 -0.898 56 HD21 ASN 7 1HD2 ASN 7 7.146 5.572 -1.258 57 HD22 ASN 7 2HD2 ASN 7 8.137 5.290 0.125 58 H GLU 8 H GLU 8 3.535 6.528 -1.769 59 HA GLU 8 HA GLU 8 2.829 7.131 1.043 60 HB2 GLU 8 2HB GLU 8 1.331 7.429 -1.246 61 HB3 GLU 8 1HB GLU 8 0.870 5.793 -0.819 62 HG2 GLU 8 2HG GLU 8 0.592 8.208 0.992 63 HG3 GLU 8 1HG GLU 8 -0.697 7.565 -0.021 64 H ASP 9 H ASP 9 4.428 4.901 -0.711 65 HA ASP 9 HA ASP 9 3.722 2.341 -0.213 66 HB2 ASP 9 2HB ASP 9 6.531 3.512 -0.043 67 HB3 ASP 9 1HB ASP 9 6.165 1.812 -0.305 68 H TRP 10 H TRP 10 3.786 0.894 1.401 69 HA TRP 10 HA TRP 10 5.046 1.552 3.984 70 HB2 TRP 10 2HB TRP 10 3.100 0.425 5.151 71 HB3 TRP 10 1HB TRP 10 2.732 1.980 4.423 72 HD1 TRP 10 HD TRP 10 1.073 1.979 2.265 73 HE1 TRP 10 1HE TRP 10 -0.742 0.295 1.572 74 HE3 TRP 10 3HE TRP 10 2.594 -2.080 4.979 75 HZ2 TRP 10 2HZ TRP 10 -1.426 -2.376 2.052 76 HZ3 TRP 10 3HZ TRP 10 1.318 -4.171 4.781 77 HH2 TRP 10 HH TRP 10 -0.654 -4.322 3.343 78 H LEU 11 H LEU 11 5.793 -0.174 5.146 79 HA LEU 11 HA LEU 11 6.352 -2.634 3.619 80 HB2 LEU 11 2HB LEU 11 8.200 -1.143 4.665 81 HB3 LEU 11 1HB LEU 11 7.647 -1.697 6.225 82 HG LEU 11 HG LEU 11 9.738 -2.821 5.335 83 HD11 LEU 11 1HD1 LEU 11 9.202 -5.088 6.018 84 HD12 LEU 11 2HD1 LEU 11 7.474 -4.732 5.919 85 HD13 LEU 11 3HD1 LEU 11 8.481 -3.904 7.108 86 HD21 LEU 11 3HD2 LEU 11 7.861 -4.154 3.362 87 HD22 LEU 11 1HD2 LEU 11 9.572 -4.522 3.601 88 HD23 LEU 11 2HD2 LEU 11 9.092 -2.949 2.971 89 H CYS 12 H CYS 12 5.340 -4.500 4.250 90 HA CYS 12 HA CYS 12 3.178 -4.395 6.083 91 HB2 CYS 12 2HB CYS 12 2.954 -5.850 4.178 92 HB3 CYS 12 1HB CYS 12 4.438 -6.708 4.568 93 H ASN 13 H ASN 13 2.892 -5.451 8.004 94 HA ASN 13 HA ASN 13 5.283 -5.848 9.634 95 HB2 ASN 13 2HB ASN 13 3.606 -5.954 11.534 96 HB3 ASN 13 1HB ASN 13 3.630 -4.440 10.637 97 HD21 ASN 13 1HD2 ASN 13 1.529 -3.905 11.312 98 HD22 ASN 13 2HD2 ASN 13 0.131 -4.704 10.686 99 H LYS 14 H LYS 14 2.742 -7.716 8.118 100 HA LYS 14 HA LYS 14 3.460 -10.200 9.501 101 HB2 LYS 14 2HB LYS 14 1.342 -9.647 7.388 102 HB3 LYS 14 1HB LYS 14 1.629 -11.224 8.124 103 HG2 LYS 14 2HG LYS 14 1.118 -10.133 10.377 104 HG3 LYS 14 1HG LYS 14 0.591 -8.709 9.476 105 HD2 LYS 14 2HD LYS 14 -0.611 -11.507 9.311 106 HD3 LYS 14 1HD LYS 14 -1.344 -10.099 10.079 107 HE2 LYS 14 2HE LYS 14 -1.569 -8.994 7.917 108 HE3 LYS 14 1HE LYS 14 -0.722 -10.310 7.113 109 HZ1 LYS 14 3HZ LYS 14 -3.371 -10.449 8.441 110 HZ2 LYS 14 1HZ LYS 14 -2.542 -11.789 7.845 111 HZ3 LYS 14 2HZ LYS 14 -3.054 -10.581 6.783 112 H CYS 15 H CYS 15 2.959 -9.553 5.886 113 HA CYS 15 HA CYS 15 4.786 -11.738 5.308 114 HB2 CYS 15 2HB CYS 15 4.292 -11.170 2.926 115 HB3 CYS 15 1HB CYS 15 2.843 -11.405 3.900 116 H GLY 16 H GLY 16 5.018 -8.243 5.393 117 HA2 GLY 16 2HA GLY 16 6.923 -6.951 5.636 118 HA3 GLY 16 1HA GLY 16 7.924 -8.355 5.306 119 H VAL 17 H VAL 17 5.333 -7.181 3.172 120 HA VAL 17 HA VAL 17 7.357 -6.640 1.072 121 HB VAL 17 HB VAL 17 5.567 -6.860 -0.583 122 HG11 VAL 17 1HG1 VAL 17 5.543 -9.170 1.386 123 HG12 VAL 17 2HG1 VAL 17 6.772 -8.873 0.153 124 HG13 VAL 17 3HG1 VAL 17 5.118 -9.253 -0.329 125 HG21 VAL 17 3HG2 VAL 17 3.653 -5.955 0.644 126 HG22 VAL 17 1HG2 VAL 17 3.677 -7.318 1.765 127 HG23 VAL 17 2HG2 VAL 17 3.261 -7.575 0.068 128 H GLN 18 H GLN 18 7.200 -4.808 -0.268 129 HA GLN 18 HA GLN 18 5.958 -2.412 0.913 130 HB2 GLN 18 2HB GLN 18 8.464 -2.589 0.078 131 HB3 GLN 18 1HB GLN 18 7.779 -2.438 -1.531 132 HG2 GLN 18 2HG GLN 18 8.419 -0.252 -0.922 133 HG3 GLN 18 1HG GLN 18 6.674 -0.275 -0.710 134 HE21 GLN 18 1HE2 GLN 18 9.007 -1.706 1.545 135 HE22 GLN 18 2HE2 GLN 18 8.679 -0.604 2.827 136 H ASN 19 H ASN 19 4.037 -1.774 0.054 137 HA ASN 19 HA ASN 19 2.824 -3.292 -2.098 138 HB2 ASN 19 2HB ASN 19 0.760 -2.183 -1.525 139 HB3 ASN 19 1HB ASN 19 1.575 -2.523 -0.003 140 HD21 ASN 19 1HD2 ASN 19 -0.435 -0.435 -0.840 141 HD22 ASN 19 2HD2 ASN 19 0.254 1.054 -0.309 142 H PHE 20 H PHE 20 1.330 -1.826 -3.646 143 HA PHE 20 HA PHE 20 3.037 -0.017 -5.160 144 HB2 PHE 20 2HB PHE 20 1.597 -1.660 -6.346 145 HB3 PHE 20 1HB PHE 20 0.161 -0.914 -5.660 146 HD1 PHE 20 2HD PHE 20 3.216 0.440 -7.402 147 HD2 PHE 20 1HD PHE 20 -1.061 0.219 -7.337 148 HE1 PHE 20 2HE PHE 20 3.096 2.010 -9.291 149 HE2 PHE 20 1HE PHE 20 -1.169 1.801 -9.226 150 HZ PHE 20 HZ PHE 20 0.910 2.695 -10.200 151 H LYS 21 H LYS 21 2.551 0.994 -2.582 152 HA LYS 21 HA LYS 21 1.777 2.638 -1.253 153 HB2 LYS 21 2HB LYS 21 2.164 4.915 -2.185 154 HB3 LYS 21 1HB LYS 21 3.460 3.789 -2.477 155 HG2 LYS 21 2HG LYS 21 3.332 5.041 -4.436 156 HG3 LYS 21 1HG LYS 21 2.540 3.517 -4.836 157 HD2 LYS 21 2HD LYS 21 0.321 4.626 -4.510 158 HD3 LYS 21 1HD LYS 21 1.155 6.151 -4.178 159 HE2 LYS 21 2HE LYS 21 1.194 4.574 -6.763 160 HE3 LYS 21 1HE LYS 21 0.439 6.143 -6.480 161 HZ1 LYS 21 3HZ LYS 21 2.688 7.017 -6.004 162 HZ2 LYS 21 1HZ LYS 21 2.501 6.481 -7.595 163 HZ3 LYS 21 2HZ LYS 21 3.343 5.538 -6.476 164 H ARG 22 H ARG 22 -0.469 1.342 -2.783 165 HA ARG 22 HA ARG 22 -2.550 3.385 -2.441 166 HB2 ARG 22 2HB ARG 22 -1.716 3.396 -4.870 167 HB3 ARG 22 1HB ARG 22 -2.311 1.747 -5.016 168 HG2 ARG 22 2HG ARG 22 -3.947 3.251 -5.968 169 HG3 ARG 22 1HG ARG 22 -4.617 2.576 -4.482 170 HD2 ARG 22 2HD ARG 22 -3.796 4.717 -3.315 171 HD3 ARG 22 1HD ARG 22 -3.503 5.362 -4.933 172 HE ARG 22 HE ARG 22 -6.109 4.511 -4.990 173 HH11 ARG 22 1HH1 ARG 22 -4.312 6.774 -2.957 174 HH12 ARG 22 2HH1 ARG 22 -5.698 7.765 -2.634 175 HH21 ARG 22 1HH2 ARG 22 -7.910 5.808 -4.540 176 HH22 ARG 22 2HH2 ARG 22 -7.741 7.212 -3.535 177 H ARG 23 H ARG 23 -1.610 0.033 -3.011 178 HA ARG 23 HA ARG 23 -3.939 -1.348 -2.383 179 HB2 ARG 23 2HB ARG 23 -1.033 -2.027 -1.729 180 HB3 ARG 23 1HB ARG 23 -2.363 -3.165 -1.555 181 HG2 ARG 23 2HG ARG 23 -1.541 -1.880 -4.180 182 HG3 ARG 23 1HG ARG 23 -1.018 -3.474 -3.634 183 HD2 ARG 23 2HD ARG 23 -3.331 -4.275 -3.647 184 HD3 ARG 23 1HD ARG 23 -3.909 -2.662 -4.089 185 HE ARG 23 HE ARG 23 -1.998 -3.800 -5.935 186 HH11 ARG 23 1HH1 ARG 23 -5.427 -3.574 -5.150 187 HH12 ARG 23 2HH1 ARG 23 -5.937 -3.949 -6.763 188 HH21 ARG 23 1HH2 ARG 23 -2.686 -4.246 -8.044 189 HH22 ARG 23 2HH2 ARG 23 -4.385 -4.328 -8.401 190 H GLU 24 H GLU 24 -5.193 -0.752 -0.736 191 HA GLU 24 HA GLU 24 -4.479 0.406 1.704 192 HB2 GLU 24 2HB GLU 24 -6.744 0.541 0.828 193 HB3 GLU 24 1HB GLU 24 -6.944 -1.206 0.928 194 HG2 GLU 24 2HG GLU 24 -6.897 -1.099 3.376 195 HG3 GLU 24 1HG GLU 24 -6.577 0.636 3.313 196 H LYS 25 H LYS 25 -5.369 -2.982 1.020 197 HA LYS 25 HA LYS 25 -3.767 -3.873 3.340 198 HB2 LYS 25 2HB LYS 25 -5.783 -5.409 1.646 199 HB3 LYS 25 1HB LYS 25 -4.760 -6.151 2.861 200 HG2 LYS 25 2HG LYS 25 -6.834 -5.903 3.924 201 HG3 LYS 25 1HG LYS 25 -5.854 -4.586 4.561 202 HD2 LYS 25 2HD LYS 25 -8.124 -3.815 4.073 203 HD3 LYS 25 1HD LYS 25 -6.972 -3.011 3.002 204 HE2 LYS 25 2HE LYS 25 -7.575 -4.589 1.188 205 HE3 LYS 25 1HE LYS 25 -8.712 -5.397 2.273 206 HZ1 LYS 25 3HZ LYS 25 -9.984 -3.366 2.419 207 HZ2 LYS 25 1HZ LYS 25 -9.821 -3.834 0.806 208 HZ3 LYS 25 2HZ LYS 25 -8.892 -2.559 1.409 209 H CYS 26 H CYS 26 -2.324 -5.779 2.956 210 HA CYS 26 HA CYS 26 -0.615 -5.585 0.743 211 HB2 CYS 26 2HB CYS 26 -1.064 -7.749 2.813 212 HB3 CYS 26 1HB CYS 26 0.014 -8.050 1.458 213 H PHE 27 H PHE 27 -0.508 -6.664 -1.172 214 HA PHE 27 HA PHE 27 -2.896 -7.314 -2.508 215 HB2 PHE 27 2HB PHE 27 -1.453 -7.765 -4.466 216 HB3 PHE 27 1HB PHE 27 -1.010 -6.271 -3.661 217 HD1 PHE 27 1HD PHE 27 1.056 -6.271 -2.118 218 HD2 PHE 27 2HD PHE 27 0.200 -9.475 -4.826 219 HE1 PHE 27 1HE PHE 27 3.400 -6.996 -2.018 220 HE2 PHE 27 2HE PHE 27 2.549 -10.188 -4.704 221 HZ PHE 27 HZ PHE 27 4.144 -8.954 -3.301 222 H LYS 28 H LYS 28 -1.034 -9.364 -0.508 223 HA LYS 28 HA LYS 28 -2.630 -11.648 -1.413 224 HB2 LYS 28 2HB LYS 28 -0.505 -13.156 -0.970 225 HB3 LYS 28 1HB LYS 28 -0.738 -12.371 -2.519 226 HG2 LYS 28 2HG LYS 28 1.584 -12.237 -1.867 227 HG3 LYS 28 1HG LYS 28 0.882 -10.622 -1.912 228 HD2 LYS 28 2HD LYS 28 0.788 -10.585 0.523 229 HD3 LYS 28 1HD LYS 28 1.348 -12.258 0.607 230 HE2 LYS 28 2HE LYS 28 2.961 -9.973 -0.569 231 HE3 LYS 28 1HE LYS 28 3.123 -10.558 1.083 232 HZ1 LYS 28 3HZ LYS 28 4.813 -11.527 -0.312 233 HZ2 LYS 28 1HZ LYS 28 3.652 -12.137 -1.383 234 HZ3 LYS 28 2HZ LYS 28 3.751 -12.741 0.189 235 H CYS 29 H CYS 29 -0.670 -10.234 1.240 236 HA CYS 29 HA CYS 29 -1.441 -12.323 3.097 237 HB2 CYS 29 2HB CYS 29 0.830 -11.412 2.991 238 HB3 CYS 29 1HB CYS 29 0.221 -9.810 3.406 239 H GLY 30 H GLY 30 -2.365 -9.020 2.351 240 HA2 GLY 30 2HA GLY 30 -4.343 -7.975 2.714 241 HA3 GLY 30 1HA GLY 30 -4.922 -9.428 3.503 242 H VAL 31 H VAL 31 -2.090 -7.626 4.728 243 HA VAL 31 HA VAL 31 -3.582 -6.851 7.111 244 HB VAL 31 HB VAL 31 -1.254 -7.535 7.453 245 HG11 VAL 31 1HG1 VAL 31 -0.226 -6.844 5.354 246 HG12 VAL 31 2HG1 VAL 31 0.666 -6.187 6.727 247 HG13 VAL 31 3HG1 VAL 31 -0.413 -5.144 5.797 248 HG21 VAL 31 3HG2 VAL 31 -2.213 -5.951 9.062 249 HG22 VAL 31 1HG2 VAL 31 -1.652 -4.589 8.089 250 HG23 VAL 31 2HG2 VAL 31 -0.483 -5.656 8.872 251 HA PRO 32 HA PRO 32 -4.726 -2.809 5.298 252 HB2 PRO 32 2HB PRO 32 -5.677 -1.684 7.677 253 HB3 PRO 32 1HB PRO 32 -6.643 -2.737 6.624 254 HG2 PRO 32 2HG PRO 32 -5.127 -3.451 9.115 255 HG3 PRO 32 1HG PRO 32 -6.752 -3.957 8.610 256 HD2 PRO 32 2HD PRO 32 -4.655 -5.607 8.320 257 HD3 PRO 32 1HD PRO 32 -5.942 -5.546 7.092 258 H LYS 33 H LYS 33 -3.622 -0.902 5.155 259 HA LYS 33 HA LYS 33 -1.053 -0.536 6.161 260 HB2 LYS 33 2HB LYS 33 -1.918 0.673 4.164 261 HB3 LYS 33 1HB LYS 33 -2.954 1.652 5.201 262 HG2 LYS 33 2HG LYS 33 -0.822 2.456 6.372 263 HG3 LYS 33 1HG LYS 33 0.082 1.643 5.096 264 HD2 LYS 33 2HD LYS 33 -0.069 3.974 4.503 265 HD3 LYS 33 1HD LYS 33 -1.138 3.085 3.412 266 HE2 LYS 33 2HE LYS 33 -3.074 3.719 4.842 267 HE3 LYS 33 1HE LYS 33 -1.981 4.634 5.881 268 HZ1 LYS 33 3HZ LYS 33 -2.355 5.178 2.988 269 HZ2 LYS 33 1HZ LYS 33 -1.466 6.101 4.090 270 HZ3 LYS 33 2HZ LYS 33 -3.149 6.016 4.222 271 H SER 34 H SER 34 -4.156 0.493 7.476 272 HA SER 34 HA SER 34 -3.298 2.266 9.459 273 HB2 SER 34 2HB SER 34 -5.647 2.036 8.753 274 HB3 SER 34 1HB SER 34 -5.725 0.423 9.462 275 HG SER 34 HG SER 34 -6.308 1.421 11.209 276 H GLU 35 H GLU 35 -3.439 -1.276 9.467 277 HA GLU 35 HA GLU 35 -2.616 -1.593 12.251 278 HB2 GLU 35 2HB GLU 35 -4.161 -3.206 11.146 279 HB3 GLU 35 1HB GLU 35 -2.934 -3.576 9.947 280 HG2 GLU 35 2HG GLU 35 -3.044 -5.397 11.523 281 HG3 GLU 35 1HG GLU 35 -1.511 -4.560 11.745 282 H ALA 36 H ALA 36 -1.098 -1.232 9.143 283 HA ALA 36 HA ALA 36 1.356 -2.664 9.748 284 HB1 ALA 36 1HB ALA 36 2.060 -1.971 7.500 285 HB2 ALA 36 2HB ALA 36 0.652 -0.911 7.368 286 HB3 ALA 36 3HB ALA 36 0.436 -2.661 7.467 287 H GLU 37 H GLU 37 0.263 0.682 9.620 288 HA GLU 37 HA GLU 37 2.831 1.913 9.933 289 HB2 GLU 37 2HB GLU 37 0.017 3.030 10.337 290 HB3 GLU 37 1HB GLU 37 1.486 4.002 10.379 291 HG2 GLU 37 2HG GLU 37 0.475 2.436 7.983 292 HG3 GLU 37 1HG GLU 37 0.300 4.175 8.216 293 H GLN 38 H GLN 38 3.881 2.468 11.758 294 HA GLN 38 HA GLN 38 3.074 1.388 14.299 295 HB2 GLN 38 2HB GLN 38 5.460 3.173 13.609 296 HB3 GLN 38 1HB GLN 38 5.193 2.406 15.171 297 HG2 GLN 38 2HG GLN 38 6.778 1.021 14.128 298 HG3 GLN 38 1HG GLN 38 5.265 0.158 13.896 299 HE21 GLN 38 1HE2 GLN 38 4.444 -0.048 11.775 300 HE22 GLN 38 2HE2 GLN 38 5.382 0.348 10.382 301 H LYS 39 H LYS 39 1.185 2.417 14.864 302 HA LYS 39 HA LYS 39 1.065 5.358 15.034 303 HB2 LYS 39 2HB LYS 39 -1.106 3.230 15.259 304 HB3 LYS 39 1HB LYS 39 -1.392 4.967 15.371 305 HG2 LYS 39 2HG LYS 39 -0.505 5.203 13.030 306 HG3 LYS 39 1HG LYS 39 -0.400 3.440 12.937 307 HD2 LYS 39 2HD LYS 39 -2.834 3.261 13.287 308 HD3 LYS 39 1HD LYS 39 -2.959 5.013 13.465 309 HE2 LYS 39 2HE LYS 39 -2.159 5.258 11.112 310 HE3 LYS 39 1HE LYS 39 -2.162 3.498 10.961 311 HZ1 LYS 39 3HZ LYS 39 -4.553 3.532 11.472 312 HZ2 LYS 39 1HZ LYS 39 -4.188 4.406 10.074 313 HZ3 LYS 39 2HZ LYS 39 -4.521 5.219 11.512 314 H LEU 40 H LEU 40 -0.372 6.147 16.893 315 HA LEU 40 HA LEU 40 0.622 5.278 19.486 316 HB2 LEU 40 2HB LEU 40 -1.281 7.516 18.639 317 HB3 LEU 40 1HB LEU 40 -0.860 7.191 20.310 318 HG LEU 40 HG LEU 40 1.597 7.639 19.646 319 HD11 LEU 40 1HD1 LEU 40 0.346 8.858 17.174 320 HD12 LEU 40 2HD1 LEU 40 1.398 7.442 17.223 321 HD13 LEU 40 3HD1 LEU 40 2.032 9.022 17.680 322 HD21 LEU 40 3HD2 LEU 40 1.372 10.076 19.852 323 HD22 LEU 40 1HD2 LEU 40 0.303 9.231 20.972 324 HD23 LEU 40 2HD2 LEU 40 -0.356 9.956 19.503 325 HA PRO 41 HA PRO 41 -2.755 2.580 20.861 326 HB2 PRO 41 2HB PRO 41 -3.266 4.601 23.064 327 HB3 PRO 41 1HB PRO 41 -3.124 2.829 23.174 328 HG2 PRO 41 2HG PRO 41 -1.076 4.323 23.902 329 HG3 PRO 41 1HG PRO 41 -0.793 2.859 22.932 330 HD2 PRO 41 2HD PRO 41 -0.724 5.738 22.053 331 HD3 PRO 41 1HD PRO 41 0.287 4.369 21.534 332 H LEU 42 H LEU 42 -4.192 2.808 19.193 333 HA LEU 42 HA LEU 42 -6.619 4.422 19.580 334 HB2 LEU 42 2HB LEU 42 -4.938 5.635 18.042 335 HB3 LEU 42 1HB LEU 42 -5.164 4.338 16.890 336 HG LEU 42 HG LEU 42 -7.423 6.171 17.828 337 HD11 LEU 42 1HD1 LEU 42 -5.742 7.526 16.708 338 HD12 LEU 42 2HD1 LEU 42 -7.176 7.381 15.698 339 HD13 LEU 42 3HD1 LEU 42 -5.734 6.432 15.321 340 HD21 LEU 42 3HD2 LEU 42 -7.304 4.300 15.437 341 HD22 LEU 42 1HD2 LEU 42 -8.631 5.402 15.822 342 HD23 LEU 42 2HD2 LEU 42 -8.258 4.063 16.902 343 H GLY 43 H GLY 43 -4.984 2.090 17.397 344 HA2 GLY 43 2HA GLY 43 -7.559 0.812 16.736 345 HA3 GLY 43 1HA GLY 43 -6.059 0.688 15.834 Start of MODEL 6 1 H1 GLY 1 H GLY 1 17.986 15.490 7.214 2 HA2 GLY 1 1HA GLY 1 19.304 16.543 4.920 3 HA3 GLY 1 2HA GLY 1 18.873 14.871 4.582 4 H HIS 2 H HIS 2 17.573 16.017 2.885 5 HA HIS 2 HA HIS 2 14.922 16.904 3.895 6 HB2 HIS 2 2HB HIS 2 16.243 18.563 2.494 7 HB3 HIS 2 1HB HIS 2 16.166 17.429 1.153 8 HD1 HIS 2 1HD HIS 2 14.634 18.586 -0.460 9 HD2 HIS 2 2HD HIS 2 13.147 18.656 3.420 10 HE1 HIS 2 1HE HIS 2 12.376 19.669 -0.615 11 HE2 HIS 2 2HE HIS 2 11.622 19.918 1.772 12 H MET 3 H MET 3 13.587 15.172 3.885 13 HA MET 3 HA MET 3 13.854 13.030 1.889 14 HB2 MET 3 2HB MET 3 12.283 11.757 3.283 15 HB3 MET 3 1HB MET 3 13.590 12.379 4.277 16 HG2 MET 3 2HG MET 3 12.141 14.103 5.184 17 HG3 MET 3 1HG MET 3 10.840 13.637 4.087 18 HE1 MET 3 3HE MET 3 9.736 10.157 5.491 19 HE2 MET 3 1HE MET 3 10.900 10.420 4.191 20 HE3 MET 3 2HE MET 3 9.442 11.409 4.284 21 HA PRO 4 HA PRO 4 10.295 14.340 -0.629 22 HB2 PRO 4 2HB PRO 4 9.562 11.415 -0.691 23 HB3 PRO 4 1HB PRO 4 9.814 12.547 -2.041 24 HG2 PRO 4 2HG PRO 4 11.656 10.715 -1.492 25 HG3 PRO 4 1HG PRO 4 12.140 12.366 -1.948 26 HD2 PRO 4 2HD PRO 4 12.053 11.123 0.799 27 HD3 PRO 4 1HD PRO 4 13.294 12.172 0.077 28 H LYS 5 H LYS 5 8.264 14.964 -0.168 29 HA LYS 5 HA LYS 5 7.064 14.215 2.413 30 HB2 LYS 5 2HB LYS 5 5.738 16.261 2.133 31 HB3 LYS 5 1HB LYS 5 7.448 16.604 1.889 32 HG2 LYS 5 2HG LYS 5 7.082 16.547 -0.579 33 HG3 LYS 5 1HG LYS 5 5.359 16.282 -0.297 34 HD2 LYS 5 2HD LYS 5 5.186 18.469 0.818 35 HD3 LYS 5 1HD LYS 5 6.924 18.727 0.624 36 HE2 LYS 5 2HE LYS 5 4.880 18.496 -1.615 37 HE3 LYS 5 1HE LYS 5 5.678 19.973 -1.079 38 HZ1 LYS 5 3HZ LYS 5 7.812 18.968 -1.758 39 HZ2 LYS 5 1HZ LYS 5 6.737 19.156 -3.048 40 HZ3 LYS 5 2HZ LYS 5 6.978 17.627 -2.367 41 H ILE 6 H ILE 6 6.880 12.755 -0.373 42 HA ILE 6 HA ILE 6 3.967 12.298 -0.384 43 HB ILE 6 HB ILE 6 4.253 13.914 -2.151 44 HG12 ILE 6 2HG1 ILE 6 4.078 11.126 -3.395 45 HG13 ILE 6 1HG1 ILE 6 2.742 12.056 -2.728 46 HG21 ILE 6 1HG2 ILE 6 5.861 13.711 -4.000 47 HG22 ILE 6 2HG2 ILE 6 6.520 12.242 -3.277 48 HG23 ILE 6 3HG2 ILE 6 6.683 13.788 -2.440 49 HD11 ILE 6 3HD1 ILE 6 2.697 12.111 -5.134 50 HD12 ILE 6 1HD1 ILE 6 4.338 12.753 -5.198 51 HD13 ILE 6 2HD1 ILE 6 3.032 13.724 -4.509 52 H ASN 7 H ASN 7 3.516 10.210 -0.362 53 HA ASN 7 HA ASN 7 3.671 7.957 -0.286 54 HB2 ASN 7 2HB ASN 7 3.116 8.368 -2.664 55 HB3 ASN 7 1HB ASN 7 4.831 8.363 -3.070 56 HD21 ASN 7 1HD2 ASN 7 4.622 6.608 -4.489 57 HD22 ASN 7 2HD2 ASN 7 4.336 4.996 -3.941 58 H GLU 8 H GLU 8 5.176 7.633 1.381 59 HA GLU 8 HA GLU 8 7.959 7.007 0.724 60 HB2 GLU 8 2HB GLU 8 6.909 8.094 2.949 61 HB3 GLU 8 1HB GLU 8 6.694 6.416 3.418 62 HG2 GLU 8 2HG GLU 8 9.356 7.656 2.652 63 HG3 GLU 8 1HG GLU 8 8.768 7.536 4.308 64 H ASP 9 H ASP 9 4.944 5.509 0.580 65 HA ASP 9 HA ASP 9 4.092 3.484 0.298 66 HB2 ASP 9 2HB ASP 9 6.007 3.001 -1.252 67 HB3 ASP 9 1HB ASP 9 6.947 2.412 0.115 68 H TRP 10 H TRP 10 3.730 1.375 1.382 69 HA TRP 10 HA TRP 10 4.631 1.432 4.201 70 HB2 TRP 10 2HB TRP 10 2.505 0.400 4.810 71 HB3 TRP 10 1HB TRP 10 2.230 1.917 3.972 72 HD1 TRP 10 HD TRP 10 1.268 1.663 1.345 73 HE1 TRP 10 1HE TRP 10 -0.325 -0.108 0.398 74 HE3 TRP 10 3HE TRP 10 1.999 -1.975 4.808 75 HZ2 TRP 10 2HZ TRP 10 -1.170 -2.720 1.052 76 HZ3 TRP 10 3HZ TRP 10 0.779 -4.085 4.581 77 HH2 TRP 10 HH TRP 10 -0.769 -4.450 2.743 78 H LEU 11 H LEU 11 5.824 -0.165 4.778 79 HA LEU 11 HA LEU 11 6.143 -2.598 3.177 80 HB2 LEU 11 2HB LEU 11 8.028 -1.041 4.284 81 HB3 LEU 11 1HB LEU 11 7.687 -1.979 5.719 82 HG LEU 11 HG LEU 11 9.668 -2.837 4.560 83 HD11 LEU 11 1HD1 LEU 11 7.402 -4.821 4.294 84 HD12 LEU 11 2HD1 LEU 11 8.316 -4.474 5.763 85 HD13 LEU 11 3HD1 LEU 11 9.128 -5.196 4.378 86 HD21 LEU 11 3HD2 LEU 11 9.132 -2.099 2.279 87 HD22 LEU 11 1HD2 LEU 11 7.892 -3.351 2.152 88 HD23 LEU 11 2HD2 LEU 11 9.593 -3.799 2.312 89 H CYS 12 H CYS 12 5.186 -4.498 3.833 90 HA CYS 12 HA CYS 12 3.204 -4.546 5.826 91 HB2 CYS 12 2HB CYS 12 3.031 -6.087 3.953 92 HB3 CYS 12 1HB CYS 12 4.549 -6.865 4.381 93 H ASN 13 H ASN 13 3.079 -5.683 7.775 94 HA ASN 13 HA ASN 13 5.624 -6.115 9.214 95 HB2 ASN 13 2HB ASN 13 4.184 -5.944 11.292 96 HB3 ASN 13 1HB ASN 13 4.243 -4.479 10.324 97 HD21 ASN 13 1HD2 ASN 13 2.403 -3.801 9.233 98 HD22 ASN 13 2HD2 ASN 13 0.830 -4.419 9.590 99 H LYS 14 H LYS 14 2.856 -7.782 7.932 100 HA LYS 14 HA LYS 14 3.332 -10.174 9.557 101 HB2 LYS 14 2HB LYS 14 1.173 -9.612 7.491 102 HB3 LYS 14 1HB LYS 14 1.332 -11.121 8.392 103 HG2 LYS 14 2HG LYS 14 1.233 -9.545 10.504 104 HG3 LYS 14 1HG LYS 14 0.508 -8.391 9.389 105 HD2 LYS 14 2HD LYS 14 -0.567 -11.199 9.902 106 HD3 LYS 14 1HD LYS 14 -1.125 -9.760 10.750 107 HE2 LYS 14 2HE LYS 14 -2.727 -10.181 9.054 108 HE3 LYS 14 1HE LYS 14 -1.778 -8.821 8.473 109 HZ1 LYS 14 3HZ LYS 14 -0.575 -10.297 7.021 110 HZ2 LYS 14 1HZ LYS 14 -2.236 -10.477 6.752 111 HZ3 LYS 14 2HZ LYS 14 -1.389 -11.642 7.636 112 H CYS 15 H CYS 15 2.980 -9.670 5.898 113 HA CYS 15 HA CYS 15 4.654 -12.030 5.492 114 HB2 CYS 15 2HB CYS 15 4.305 -11.508 3.069 115 HB3 CYS 15 1HB CYS 15 2.808 -11.687 3.979 116 H GLY 16 H GLY 16 5.012 -8.538 5.409 117 HA2 GLY 16 2HA GLY 16 6.950 -7.289 5.617 118 HA3 GLY 16 1HA GLY 16 7.916 -8.744 5.412 119 H VAL 17 H VAL 17 5.387 -7.745 3.177 120 HA VAL 17 HA VAL 17 7.352 -7.594 0.993 121 HB VAL 17 HB VAL 17 5.469 -7.742 -0.549 122 HG11 VAL 17 1HG1 VAL 17 4.610 -9.979 0.042 123 HG12 VAL 17 2HG1 VAL 17 5.197 -9.773 1.695 124 HG13 VAL 17 3HG1 VAL 17 6.343 -9.846 0.355 125 HG21 VAL 17 3HG2 VAL 17 3.119 -7.968 0.251 126 HG22 VAL 17 1HG2 VAL 17 3.804 -6.383 0.619 127 HG23 VAL 17 2HG2 VAL 17 3.656 -7.594 1.892 128 H GLN 18 H GLN 18 6.944 -5.980 -0.718 129 HA GLN 18 HA GLN 18 6.445 -3.261 0.348 130 HB2 GLN 18 2HB GLN 18 8.757 -3.774 -0.472 131 HB3 GLN 18 1HB GLN 18 8.113 -4.204 -2.050 132 HG2 GLN 18 2HG GLN 18 7.685 -1.435 -0.907 133 HG3 GLN 18 1HG GLN 18 9.205 -1.861 -1.693 134 HE21 GLN 18 1HE2 GLN 18 7.041 0.061 -2.401 135 HE22 GLN 18 2HE2 GLN 18 6.610 -0.327 -4.030 136 H ASN 19 H ASN 19 4.672 -2.226 -0.431 137 HA ASN 19 HA ASN 19 3.131 -3.435 -2.680 138 HB2 ASN 19 2HB ASN 19 2.101 -2.005 -0.183 139 HB3 ASN 19 1HB ASN 19 1.101 -2.557 -1.493 140 HD21 ASN 19 1HD2 ASN 19 2.973 -3.522 1.280 141 HD22 ASN 19 2HD2 ASN 19 2.382 -5.146 1.361 142 H PHE 20 H PHE 20 1.268 -1.231 -2.793 143 HA PHE 20 HA PHE 20 2.912 1.214 -3.071 144 HB2 PHE 20 2HB PHE 20 2.081 0.222 -5.286 145 HB3 PHE 20 1HB PHE 20 0.440 0.537 -4.737 146 HD1 PHE 20 1HD PHE 20 3.710 2.272 -5.325 147 HD2 PHE 20 2HD PHE 20 -0.544 2.614 -5.257 148 HE1 PHE 20 1HE PHE 20 3.882 4.545 -6.243 149 HE2 PHE 20 2HE PHE 20 -0.360 4.894 -6.173 150 HZ PHE 20 HZ PHE 20 1.846 5.862 -6.665 151 H LYS 21 H LYS 21 1.864 3.154 -2.169 152 HA LYS 21 HA LYS 21 0.124 2.493 0.020 153 HB2 LYS 21 2HB LYS 21 1.803 4.783 -0.696 154 HB3 LYS 21 1HB LYS 21 0.272 5.317 -0.021 155 HG2 LYS 21 2HG LYS 21 0.694 3.757 1.931 156 HG3 LYS 21 1HG LYS 21 2.305 3.478 1.276 157 HD2 LYS 21 2HD LYS 21 2.402 5.137 3.049 158 HD3 LYS 21 1HD LYS 21 2.799 5.901 1.507 159 HE2 LYS 21 2HE LYS 21 0.696 7.019 1.410 160 HE3 LYS 21 1HE LYS 21 -0.007 5.985 2.657 161 HZ1 LYS 21 3HZ LYS 21 0.539 8.173 3.512 162 HZ2 LYS 21 1HZ LYS 21 2.162 7.963 3.090 163 HZ3 LYS 21 2HZ LYS 21 1.465 6.980 4.279 164 H ARG 22 H ARG 22 -1.017 2.516 -2.901 165 HA ARG 22 HA ARG 22 -3.603 3.729 -2.107 166 HB2 ARG 22 2HB ARG 22 -2.794 2.529 -4.793 167 HB3 ARG 22 1HB ARG 22 -4.339 3.291 -4.436 168 HG2 ARG 22 2HG ARG 22 -1.626 4.650 -4.499 169 HG3 ARG 22 1HG ARG 22 -2.904 4.797 -5.709 170 HD2 ARG 22 2HD ARG 22 -3.104 5.702 -2.819 171 HD3 ARG 22 1HD ARG 22 -2.769 6.754 -4.193 172 HE ARG 22 HE ARG 22 -5.293 5.233 -3.888 173 HH11 ARG 22 1HH1 ARG 22 -3.627 8.237 -4.691 174 HH12 ARG 22 2HH1 ARG 22 -5.087 9.068 -5.120 175 HH21 ARG 22 1HH2 ARG 22 -7.184 6.320 -4.472 176 HH22 ARG 22 2HH2 ARG 22 -7.116 7.973 -4.996 177 H ARG 23 H ARG 23 -2.052 1.027 -1.421 178 HA ARG 23 HA ARG 23 -4.121 -0.953 -1.954 179 HB2 ARG 23 2HB ARG 23 -1.446 -1.130 -0.502 180 HB3 ARG 23 1HB ARG 23 -2.544 -2.492 -0.693 181 HG2 ARG 23 2HG ARG 23 -1.562 -1.002 -3.127 182 HG3 ARG 23 1HG ARG 23 -0.519 -2.186 -2.338 183 HD2 ARG 23 2HD ARG 23 -1.877 -3.046 -4.286 184 HD3 ARG 23 1HD ARG 23 -2.016 -3.965 -2.790 185 HE ARG 23 HE ARG 23 -4.241 -3.299 -2.580 186 HH11 ARG 23 1HH1 ARG 23 -2.842 -1.730 -5.430 187 HH12 ARG 23 2HH1 ARG 23 -4.384 -1.229 -6.044 188 HH21 ARG 23 1HH2 ARG 23 -6.227 -2.525 -3.355 189 HH22 ARG 23 2HH2 ARG 23 -6.294 -1.676 -4.864 190 H GLU 24 H GLU 24 -5.703 -1.378 -0.609 191 HA GLU 24 HA GLU 24 -6.092 -0.213 1.968 192 HB2 GLU 24 2HB GLU 24 -7.524 -2.696 0.888 193 HB3 GLU 24 1HB GLU 24 -8.090 -1.601 2.141 194 HG2 GLU 24 2HG GLU 24 -9.407 -1.012 0.312 195 HG3 GLU 24 1HG GLU 24 -8.130 0.200 0.267 196 H LYS 25 H LYS 25 -5.055 -3.324 0.729 197 HA LYS 25 HA LYS 25 -3.765 -4.114 3.244 198 HB2 LYS 25 2HB LYS 25 -5.726 -5.876 1.692 199 HB3 LYS 25 1HB LYS 25 -4.670 -6.455 2.978 200 HG2 LYS 25 2HG LYS 25 -5.821 -5.008 4.597 201 HG3 LYS 25 1HG LYS 25 -6.872 -4.394 3.315 202 HD2 LYS 25 2HD LYS 25 -7.782 -6.674 2.977 203 HD3 LYS 25 1HD LYS 25 -6.724 -7.289 4.253 204 HE2 LYS 25 2HE LYS 25 -7.873 -5.904 5.903 205 HE3 LYS 25 1HE LYS 25 -8.883 -5.196 4.643 206 HZ1 LYS 25 3HZ LYS 25 -9.799 -7.396 4.210 207 HZ2 LYS 25 1HZ LYS 25 -10.063 -6.921 5.816 208 HZ3 LYS 25 2HZ LYS 25 -8.860 -8.048 5.454 209 H CYS 26 H CYS 26 -2.345 -6.105 2.829 210 HA CYS 26 HA CYS 26 -0.624 -5.774 0.615 211 HB2 CYS 26 2HB CYS 26 -0.900 -7.926 2.707 212 HB3 CYS 26 1HB CYS 26 0.139 -8.226 1.318 213 H PHE 27 H PHE 27 -0.199 -7.129 -1.171 214 HA PHE 27 HA PHE 27 -2.514 -7.725 -2.680 215 HB2 PHE 27 2HB PHE 27 -0.953 -8.406 -4.482 216 HB3 PHE 27 1HB PHE 27 -0.544 -6.859 -3.775 217 HD1 PHE 27 1HD PHE 27 1.521 -6.568 -2.452 218 HD2 PHE 27 2HD PHE 27 0.574 -10.342 -4.236 219 HE1 PHE 27 1HE PHE 27 3.840 -7.310 -2.133 220 HE2 PHE 27 2HE PHE 27 2.897 -11.074 -3.896 221 HZ PHE 27 HZ PHE 27 4.531 -9.561 -2.848 222 H LYS 28 H LYS 28 -1.023 -9.710 -0.384 223 HA LYS 28 HA LYS 28 -2.633 -11.967 -1.244 224 HB2 LYS 28 2HB LYS 28 -0.683 -13.597 -1.037 225 HB3 LYS 28 1HB LYS 28 -0.685 -12.568 -2.456 226 HG2 LYS 28 2HG LYS 28 1.558 -12.606 -1.775 227 HG3 LYS 28 1HG LYS 28 0.969 -11.050 -1.204 228 HD2 LYS 28 2HD LYS 28 0.855 -11.889 1.063 229 HD3 LYS 28 1HD LYS 28 1.192 -13.538 0.534 230 HE2 LYS 28 2HE LYS 28 3.123 -11.215 0.263 231 HE3 LYS 28 1HE LYS 28 3.145 -12.395 1.573 232 HZ1 LYS 28 3HZ LYS 28 4.723 -13.086 -0.014 233 HZ2 LYS 28 1HZ LYS 28 3.644 -12.907 -1.306 234 HZ3 LYS 28 2HZ LYS 28 3.408 -14.132 -0.169 235 H CYS 29 H CYS 29 -0.655 -10.444 1.265 236 HA CYS 29 HA CYS 29 -1.215 -12.494 3.227 237 HB2 CYS 29 2HB CYS 29 0.952 -11.395 3.052 238 HB3 CYS 29 1HB CYS 29 0.202 -9.825 3.360 239 H GLY 30 H GLY 30 -2.471 -9.333 2.377 240 HA2 GLY 30 2HA GLY 30 -4.441 -8.320 2.927 241 HA3 GLY 30 1HA GLY 30 -4.904 -9.794 3.761 242 H VAL 31 H VAL 31 -2.012 -7.943 4.639 243 HA VAL 31 HA VAL 31 -3.104 -7.311 7.241 244 HB VAL 31 HB VAL 31 -0.699 -7.767 7.101 245 HG11 VAL 31 1HG1 VAL 31 -0.208 -6.938 4.859 246 HG12 VAL 31 2HG1 VAL 31 0.886 -6.215 6.038 247 HG13 VAL 31 3HG1 VAL 31 -0.460 -5.274 5.395 248 HG21 VAL 31 3HG2 VAL 31 -1.214 -4.871 7.884 249 HG22 VAL 31 1HG2 VAL 31 0.164 -5.850 8.400 250 HG23 VAL 31 2HG2 VAL 31 -1.469 -6.283 8.912 251 HA PRO 32 HA PRO 32 -5.093 -3.511 5.748 252 HB2 PRO 32 2HB PRO 32 -5.642 -2.447 8.287 253 HB3 PRO 32 1HB PRO 32 -6.666 -3.642 7.459 254 HG2 PRO 32 2HG PRO 32 -4.557 -4.095 9.554 255 HG3 PRO 32 1HG PRO 32 -6.173 -4.823 9.412 256 HD2 PRO 32 2HD PRO 32 -3.995 -6.187 8.656 257 HD3 PRO 32 1HD PRO 32 -5.507 -6.313 7.728 258 H LYS 33 H LYS 33 -4.282 -1.558 5.271 259 HA LYS 33 HA LYS 33 -1.541 -1.017 5.667 260 HB2 LYS 33 2HB LYS 33 -2.922 -0.393 3.633 261 HB3 LYS 33 1HB LYS 33 -3.662 0.885 4.589 262 HG2 LYS 33 2HG LYS 33 -0.930 1.377 4.923 263 HG3 LYS 33 1HG LYS 33 -1.015 0.790 3.270 264 HD2 LYS 33 2HD LYS 33 -1.155 3.224 3.324 265 HD3 LYS 33 1HD LYS 33 -2.679 2.547 2.734 266 HE2 LYS 33 2HE LYS 33 -3.814 3.051 4.753 267 HE3 LYS 33 1HE LYS 33 -2.313 3.215 5.665 268 HZ1 LYS 33 3HZ LYS 33 -1.827 5.230 4.462 269 HZ2 LYS 33 1HZ LYS 33 -3.322 5.347 5.242 270 HZ3 LYS 33 2HZ LYS 33 -3.259 5.082 3.574 271 H SER 34 H SER 34 -4.453 0.149 7.206 272 HA SER 34 HA SER 34 -3.521 2.357 8.647 273 HB2 SER 34 2HB SER 34 -5.889 1.858 8.474 274 HB3 SER 34 1HB SER 34 -5.684 0.307 9.284 275 HG SER 34 HG SER 34 -5.527 1.292 11.181 276 H GLU 35 H GLU 35 -3.405 -1.106 9.374 277 HA GLU 35 HA GLU 35 -1.965 -0.702 11.913 278 HB2 GLU 35 2HB GLU 35 -3.282 -3.109 10.597 279 HB3 GLU 35 1HB GLU 35 -2.209 -3.298 11.975 280 HG2 GLU 35 2HG GLU 35 -4.557 -3.320 12.669 281 HG3 GLU 35 1HG GLU 35 -3.687 -1.961 13.376 282 H ALA 36 H ALA 36 -0.914 -0.455 8.949 283 HA ALA 36 HA ALA 36 1.482 -2.181 9.254 284 HB1 ALA 36 1HB ALA 36 0.261 -1.085 6.709 285 HB2 ALA 36 2HB ALA 36 0.130 -2.746 7.293 286 HB3 ALA 36 3HB ALA 36 1.703 -2.100 6.825 287 H GLU 37 H GLU 37 0.351 1.046 8.215 288 HA GLU 37 HA GLU 37 2.962 2.269 8.438 289 HB2 GLU 37 2HB GLU 37 0.172 3.478 8.149 290 HB3 GLU 37 1HB GLU 37 1.638 4.448 8.278 291 HG2 GLU 37 2HG GLU 37 2.447 3.106 6.198 292 HG3 GLU 37 1HG GLU 37 0.749 2.658 6.012 293 H GLN 38 H GLN 38 2.875 4.412 9.904 294 HA GLN 38 HA GLN 38 2.725 3.614 12.650 295 HB2 GLN 38 2HB GLN 38 3.034 6.413 11.465 296 HB3 GLN 38 1HB GLN 38 3.386 5.949 13.129 297 HG2 GLN 38 2HG GLN 38 5.197 4.457 12.310 298 HG3 GLN 38 1HG GLN 38 4.858 4.972 10.659 299 HE21 GLN 38 1HE2 GLN 38 7.324 5.209 12.221 300 HE22 GLN 38 2HE2 GLN 38 7.719 6.892 12.233 301 H LYS 39 H LYS 39 1.538 5.323 14.202 302 HA LYS 39 HA LYS 39 -1.261 5.005 13.732 303 HB2 LYS 39 2HB LYS 39 -1.540 6.277 15.890 304 HB3 LYS 39 1HB LYS 39 -0.548 4.839 15.990 305 HG2 LYS 39 2HG LYS 39 0.712 6.247 17.289 306 HG3 LYS 39 1HG LYS 39 1.454 6.574 15.721 307 HD2 LYS 39 2HD LYS 39 -0.025 8.594 15.497 308 HD3 LYS 39 1HD LYS 39 -0.676 8.262 17.104 309 HE2 LYS 39 2HE LYS 39 1.547 8.593 18.088 310 HE3 LYS 39 1HE LYS 39 2.235 8.866 16.484 311 HZ1 LYS 39 3HZ LYS 39 0.779 10.799 16.259 312 HZ2 LYS 39 1HZ LYS 39 1.816 10.948 17.588 313 HZ3 LYS 39 2HZ LYS 39 0.191 10.552 17.823 314 H LEU 40 H LEU 40 -2.541 6.232 12.562 315 HA LEU 40 HA LEU 40 -1.803 8.846 11.569 316 HB2 LEU 40 2HB LEU 40 -4.243 7.070 11.202 317 HB3 LEU 40 1HB LEU 40 -4.238 8.725 10.622 318 HG LEU 40 HG LEU 40 -2.276 8.165 9.140 319 HD11 LEU 40 1HD1 LEU 40 -2.786 5.289 9.924 320 HD12 LEU 40 2HD1 LEU 40 -1.361 6.242 10.348 321 HD13 LEU 40 3HD1 LEU 40 -1.687 5.854 8.659 322 HD21 LEU 40 3HD2 LEU 40 -4.543 8.197 8.243 323 HD22 LEU 40 1HD2 LEU 40 -4.768 6.502 8.686 324 HD23 LEU 40 2HD2 LEU 40 -3.584 6.948 7.454 325 HA PRO 41 HA PRO 41 -3.885 11.244 14.811 326 HB2 PRO 41 2HB PRO 41 -4.619 13.511 13.404 327 HB3 PRO 41 1HB PRO 41 -2.951 13.182 13.918 328 HG2 PRO 41 2HG PRO 41 -4.213 12.724 11.227 329 HG3 PRO 41 1HG PRO 41 -2.622 13.419 11.616 330 HD2 PRO 41 2HD PRO 41 -2.885 10.841 10.826 331 HD3 PRO 41 1HD PRO 41 -1.649 11.330 12.006 332 H LEU 42 H LEU 42 -5.518 9.593 14.911 333 HA LEU 42 HA LEU 42 -8.074 10.080 13.500 334 HB2 LEU 42 2HB LEU 42 -6.957 7.859 13.214 335 HB3 LEU 42 1HB LEU 42 -7.035 7.606 14.947 336 HG LEU 42 HG LEU 42 -9.543 7.579 14.807 337 HD11 LEU 42 1HD1 LEU 42 -9.133 7.716 11.808 338 HD12 LEU 42 2HD1 LEU 42 -9.879 8.952 12.826 339 HD13 LEU 42 3HD1 LEU 42 -10.659 7.386 12.635 340 HD21 LEU 42 3HD2 LEU 42 -9.761 5.362 13.810 341 HD22 LEU 42 1HD2 LEU 42 -8.284 5.469 14.764 342 HD23 LEU 42 2HD2 LEU 42 -8.201 5.543 13.001 343 H GLY 43 H GLY 43 -6.504 10.256 16.562 344 HA2 GLY 43 2HA GLY 43 -8.974 11.023 17.939 345 HA3 GLY 43 1HA GLY 43 -8.120 9.616 18.569 Start of MODEL 7 1 H1 GLY 1 H GLY 1 18.840 10.279 -0.953 2 HA2 GLY 1 1HA GLY 1 20.092 8.040 -2.187 3 HA3 GLY 1 2HA GLY 1 19.517 7.539 -0.598 4 H HIS 2 H HIS 2 18.176 6.080 -2.043 5 HA HIS 2 HA HIS 2 15.922 7.392 -3.397 6 HB2 HIS 2 2HB HIS 2 15.372 5.116 -4.274 7 HB3 HIS 2 1HB HIS 2 16.991 5.648 -4.695 8 HD1 HIS 2 1HD HIS 2 15.146 3.084 -2.674 9 HD2 HIS 2 2HD HIS 2 19.066 4.040 -3.666 10 HE1 HIS 2 1HE HIS 2 16.515 1.079 -2.040 11 HE2 HIS 2 2HE HIS 2 18.894 1.775 -2.445 12 H MET 3 H MET 3 15.531 8.082 -0.991 13 HA MET 3 HA MET 3 13.262 6.459 0.001 14 HB2 MET 3 2HB MET 3 15.384 7.794 1.741 15 HB3 MET 3 1HB MET 3 13.849 7.209 2.358 16 HG2 MET 3 2HG MET 3 14.486 4.909 1.675 17 HG3 MET 3 1HG MET 3 16.058 5.530 1.154 18 HE1 MET 3 3HE MET 3 16.913 3.611 4.519 19 HE2 MET 3 1HE MET 3 17.323 3.768 2.812 20 HE3 MET 3 2HE MET 3 15.743 3.138 3.287 21 HA PRO 4 HA PRO 4 11.708 10.802 -0.614 22 HB2 PRO 4 2HB PRO 4 9.268 9.597 -1.734 23 HB3 PRO 4 1HB PRO 4 10.451 10.637 -2.547 24 HG2 PRO 4 2HG PRO 4 10.103 7.989 -3.161 25 HG3 PRO 4 1HG PRO 4 11.630 8.865 -3.411 26 HD2 PRO 4 2HD PRO 4 10.857 7.019 -1.155 27 HD3 PRO 4 1HD PRO 4 12.398 7.135 -2.038 28 H LYS 5 H LYS 5 9.459 11.653 0.137 29 HA LYS 5 HA LYS 5 8.471 10.122 2.498 30 HB2 LYS 5 2HB LYS 5 9.804 12.128 3.128 31 HB3 LYS 5 1HB LYS 5 8.723 13.151 2.194 32 HG2 LYS 5 2HG LYS 5 8.304 13.275 4.641 33 HG3 LYS 5 1HG LYS 5 6.892 12.718 3.734 34 HD2 LYS 5 2HD LYS 5 7.482 10.359 4.359 35 HD3 LYS 5 1HD LYS 5 8.807 10.979 5.347 36 HE2 LYS 5 2HE LYS 5 7.249 12.094 6.831 37 HE3 LYS 5 1HE LYS 5 5.893 11.715 5.762 38 HZ1 LYS 5 3HZ LYS 5 7.538 9.731 7.250 39 HZ2 LYS 5 1HZ LYS 5 6.264 9.358 6.199 40 HZ3 LYS 5 2HZ LYS 5 5.955 10.201 7.631 41 H ILE 6 H ILE 6 7.622 11.108 -0.539 42 HA ILE 6 HA ILE 6 4.848 11.866 -0.063 43 HB ILE 6 HB ILE 6 6.146 11.272 -2.778 44 HG12 ILE 6 2HG1 ILE 6 6.220 13.905 -2.947 45 HG13 ILE 6 1HG1 ILE 6 6.116 13.880 -1.195 46 HG21 ILE 6 1HG2 ILE 6 3.686 11.276 -2.848 47 HG22 ILE 6 2HG2 ILE 6 4.321 12.678 -3.712 48 HG23 ILE 6 3HG2 ILE 6 3.650 12.872 -2.092 49 HD11 ILE 6 3HD1 ILE 6 8.402 14.173 -1.994 50 HD12 ILE 6 1HD1 ILE 6 8.315 12.625 -2.837 51 HD13 ILE 6 2HD1 ILE 6 8.232 12.677 -1.075 52 H ASN 7 H ASN 7 6.544 9.017 -0.022 53 HA ASN 7 HA ASN 7 4.944 7.177 -1.433 54 HB2 ASN 7 2HB ASN 7 6.641 6.651 1.045 55 HB3 ASN 7 1HB ASN 7 6.065 5.438 -0.094 56 HD21 ASN 7 1HD2 ASN 7 6.998 5.385 -2.214 57 HD22 ASN 7 2HD2 ASN 7 8.531 6.118 -2.523 58 H GLU 8 H GLU 8 2.757 7.164 -1.036 59 HA GLU 8 HA GLU 8 1.530 6.777 1.521 60 HB2 GLU 8 2HB GLU 8 0.261 7.490 -0.519 61 HB3 GLU 8 1HB GLU 8 0.616 5.948 -1.276 62 HG2 GLU 8 2HG GLU 8 -1.674 5.944 -0.505 63 HG3 GLU 8 1HG GLU 8 -0.739 4.800 0.463 64 H ASP 9 H ASP 9 3.553 4.899 -0.484 65 HA ASP 9 HA ASP 9 3.094 2.237 -0.027 66 HB2 ASP 9 2HB ASP 9 5.798 3.646 0.036 67 HB3 ASP 9 1HB ASP 9 5.576 1.917 -0.193 68 H TRP 10 H TRP 10 3.809 0.761 1.498 69 HA TRP 10 HA TRP 10 4.777 1.601 4.093 70 HB2 TRP 10 2HB TRP 10 2.769 0.476 5.253 71 HB3 TRP 10 1HB TRP 10 2.476 2.054 4.537 72 HD1 TRP 10 HD TRP 10 0.987 2.085 2.208 73 HE1 TRP 10 1HE TRP 10 -0.837 0.483 1.393 74 HE3 TRP 10 3HE TRP 10 2.057 -1.939 5.160 75 HZ2 TRP 10 2HZ TRP 10 -1.729 -2.130 1.920 76 HZ3 TRP 10 3HZ TRP 10 0.677 -3.957 4.941 77 HH2 TRP 10 HH TRP 10 -1.171 -4.061 3.346 78 H LEU 11 H LEU 11 5.415 -0.156 5.383 79 HA LEU 11 HA LEU 11 6.083 -2.599 3.884 80 HB2 LEU 11 2HB LEU 11 7.759 -0.965 5.221 81 HB3 LEU 11 1HB LEU 11 7.243 -1.900 6.604 82 HG LEU 11 HG LEU 11 9.409 -2.674 5.654 83 HD11 LEU 11 1HD1 LEU 11 8.081 -4.309 6.875 84 HD12 LEU 11 2HD1 LEU 11 8.961 -5.080 5.557 85 HD13 LEU 11 3HD1 LEU 11 7.231 -4.761 5.396 86 HD21 LEU 11 3HD2 LEU 11 9.519 -3.779 3.473 87 HD22 LEU 11 1HD2 LEU 11 8.992 -2.104 3.304 88 HD23 LEU 11 2HD2 LEU 11 7.817 -3.414 3.180 89 H CYS 12 H CYS 12 4.970 -4.411 4.360 90 HA CYS 12 HA CYS 12 2.789 -4.538 6.118 91 HB2 CYS 12 2HB CYS 12 2.881 -6.004 4.185 92 HB3 CYS 12 1HB CYS 12 4.364 -6.760 4.753 93 H ASN 13 H ASN 13 2.456 -5.571 8.012 94 HA ASN 13 HA ASN 13 4.793 -5.999 9.776 95 HB2 ASN 13 2HB ASN 13 3.179 -5.502 11.613 96 HB3 ASN 13 1HB ASN 13 3.311 -4.178 10.463 97 HD21 ASN 13 1HD2 ASN 13 1.245 -6.637 11.743 98 HD22 ASN 13 2HD2 ASN 13 -0.219 -6.095 11.008 99 H LYS 14 H LYS 14 3.045 -7.849 7.874 100 HA LYS 14 HA LYS 14 3.198 -10.191 9.650 101 HB2 LYS 14 2HB LYS 14 0.917 -9.445 7.812 102 HB3 LYS 14 1HB LYS 14 1.316 -11.149 8.002 103 HG2 LYS 14 2HG LYS 14 1.088 -10.840 10.506 104 HG3 LYS 14 1HG LYS 14 0.465 -9.222 10.193 105 HD2 LYS 14 2HD LYS 14 -0.802 -11.727 9.026 106 HD3 LYS 14 1HD LYS 14 -1.263 -11.079 10.599 107 HE2 LYS 14 2HE LYS 14 -1.449 -9.526 7.992 108 HE3 LYS 14 1HE LYS 14 -2.787 -10.397 8.745 109 HZ1 LYS 14 3HZ LYS 14 -1.295 -8.147 9.991 110 HZ2 LYS 14 1HZ LYS 14 -2.574 -8.987 10.696 111 HZ3 LYS 14 2HZ LYS 14 -2.842 -8.046 9.320 112 H CYS 15 H CYS 15 2.763 -9.644 5.993 113 HA CYS 15 HA CYS 15 4.597 -11.843 5.501 114 HB2 CYS 15 2HB CYS 15 4.276 -11.324 3.138 115 HB3 CYS 15 1HB CYS 15 2.732 -11.373 3.979 116 H GLY 16 H GLY 16 4.866 -8.392 5.794 117 HA2 GLY 16 2HA GLY 16 6.688 -7.037 6.043 118 HA3 GLY 16 1HA GLY 16 7.720 -8.456 5.976 119 H VAL 17 H VAL 17 5.443 -7.210 3.527 120 HA VAL 17 HA VAL 17 7.695 -6.907 1.609 121 HB VAL 17 HB VAL 17 6.138 -7.275 -0.214 122 HG11 VAL 17 1HG1 VAL 17 7.114 -9.265 0.836 123 HG12 VAL 17 2HG1 VAL 17 5.512 -9.621 0.194 124 HG13 VAL 17 3HG1 VAL 17 5.733 -9.391 1.932 125 HG21 VAL 17 3HG2 VAL 17 4.138 -6.157 0.635 126 HG22 VAL 17 1HG2 VAL 17 3.916 -7.399 1.869 127 HG23 VAL 17 2HG2 VAL 17 3.718 -7.803 0.161 128 H GLN 18 H GLN 18 7.493 -5.223 0.009 129 HA GLN 18 HA GLN 18 6.280 -2.719 1.010 130 HB2 GLN 18 2HB GLN 18 8.813 -2.930 0.607 131 HB3 GLN 18 1HB GLN 18 8.466 -3.093 -1.104 132 HG2 GLN 18 2HG GLN 18 7.586 -0.668 0.471 133 HG3 GLN 18 1HG GLN 18 9.210 -0.790 -0.197 134 HE21 GLN 18 1HE2 GLN 18 7.148 1.136 -0.803 135 HE22 GLN 18 2HE2 GLN 18 6.808 1.018 -2.491 136 H ASN 19 H ASN 19 4.478 -2.023 -0.082 137 HA ASN 19 HA ASN 19 3.587 -3.528 -2.470 138 HB2 ASN 19 2HB ASN 19 1.320 -2.780 -1.873 139 HB3 ASN 19 1HB ASN 19 2.092 -3.496 -0.458 140 HD21 ASN 19 1HD2 ASN 19 2.962 -2.052 1.136 141 HD22 ASN 19 2HD2 ASN 19 2.274 -0.489 1.352 142 H PHE 20 H PHE 20 1.779 -1.803 -3.580 143 HA PHE 20 HA PHE 20 3.542 0.152 -4.910 144 HB2 PHE 20 2HB PHE 20 2.623 -1.795 -6.220 145 HB3 PHE 20 1HB PHE 20 0.996 -1.188 -5.936 146 HD1 PHE 20 1HD PHE 20 4.279 0.158 -7.185 147 HD2 PHE 20 2HD PHE 20 0.036 -0.030 -7.768 148 HE1 PHE 20 1HE PHE 20 4.495 1.540 -9.218 149 HE2 PHE 20 2HE PHE 20 0.270 1.349 -9.809 150 HZ PHE 20 HZ PHE 20 2.495 2.132 -10.526 151 H LYS 21 H LYS 21 2.392 0.927 -2.514 152 HA LYS 21 HA LYS 21 1.337 2.433 -1.317 153 HB2 LYS 21 2HB LYS 21 1.294 4.746 -2.178 154 HB3 LYS 21 1HB LYS 21 2.812 3.916 -2.366 155 HG2 LYS 21 2HG LYS 21 2.362 3.600 -4.756 156 HG3 LYS 21 1HG LYS 21 0.828 4.442 -4.566 157 HD2 LYS 21 2HD LYS 21 1.997 6.510 -3.924 158 HD3 LYS 21 1HD LYS 21 3.551 5.662 -3.946 159 HE2 LYS 21 2HE LYS 21 3.293 6.996 -5.973 160 HE3 LYS 21 1HE LYS 21 3.295 5.279 -6.374 161 HZ1 LYS 21 3HZ LYS 21 0.897 5.350 -6.556 162 HZ2 LYS 21 1HZ LYS 21 1.592 6.504 -7.579 163 HZ3 LYS 21 2HZ LYS 21 0.872 6.979 -6.122 164 H ARG 22 H ARG 22 -0.472 2.639 -4.422 165 HA ARG 22 HA ARG 22 -2.967 3.245 -3.171 166 HB2 ARG 22 2HB ARG 22 -2.152 2.344 -5.955 167 HB3 ARG 22 1HB ARG 22 -3.840 2.510 -5.531 168 HG2 ARG 22 2HG ARG 22 -1.773 4.742 -5.479 169 HG3 ARG 22 1HG ARG 22 -3.011 4.500 -6.715 170 HD2 ARG 22 2HD ARG 22 -4.766 4.811 -4.967 171 HD3 ARG 22 1HD ARG 22 -3.493 5.151 -3.790 172 HE ARG 22 HE ARG 22 -3.431 6.850 -6.131 173 HH11 ARG 22 1HH1 ARG 22 -4.770 6.502 -2.882 174 HH12 ARG 22 2HH1 ARG 22 -5.085 8.196 -2.701 175 HH21 ARG 22 1HH2 ARG 22 -3.893 9.076 -5.875 176 HH22 ARG 22 2HH2 ARG 22 -4.587 9.651 -4.397 177 H ARG 23 H ARG 23 -1.859 1.047 -1.802 178 HA ARG 23 HA ARG 23 -3.940 -1.010 -2.168 179 HB2 ARG 23 2HB ARG 23 -1.048 -1.347 -1.218 180 HB3 ARG 23 1HB ARG 23 -2.296 -2.512 -0.813 181 HG2 ARG 23 2HG ARG 23 -1.102 -3.407 -2.664 182 HG3 ARG 23 1HG ARG 23 -2.662 -2.873 -3.290 183 HD2 ARG 23 2HD ARG 23 -1.523 -0.754 -4.067 184 HD3 ARG 23 1HD ARG 23 0.012 -1.476 -3.587 185 HE ARG 23 HE ARG 23 -0.273 -3.139 -5.288 186 HH11 ARG 23 1HH1 ARG 23 -2.606 -0.501 -5.498 187 HH12 ARG 23 2HH1 ARG 23 -2.971 -0.813 -7.161 188 HH21 ARG 23 1HH2 ARG 23 -0.772 -3.511 -7.455 189 HH22 ARG 23 2HH2 ARG 23 -1.933 -2.518 -8.271 190 H GLU 24 H GLU 24 -5.407 -0.729 -0.601 191 HA GLU 24 HA GLU 24 -4.904 0.607 1.911 192 HB2 GLU 24 2HB GLU 24 -7.130 0.624 0.734 193 HB3 GLU 24 1HB GLU 24 -7.296 -1.095 1.073 194 HG2 GLU 24 2HG GLU 24 -7.269 -0.586 3.518 195 HG3 GLU 24 1HG GLU 24 -7.161 1.132 3.137 196 H LYS 25 H LYS 25 -5.115 -2.676 0.733 197 HA LYS 25 HA LYS 25 -3.871 -3.749 3.192 198 HB2 LYS 25 2HB LYS 25 -5.985 -5.119 1.459 199 HB3 LYS 25 1HB LYS 25 -5.100 -5.896 2.774 200 HG2 LYS 25 2HG LYS 25 -6.128 -4.375 4.404 201 HG3 LYS 25 1HG LYS 25 -6.971 -3.525 3.105 202 HD2 LYS 25 2HD LYS 25 -7.371 -6.448 3.854 203 HD3 LYS 25 1HD LYS 25 -8.452 -5.122 4.291 204 HE2 LYS 25 2HE LYS 25 -8.942 -4.713 1.921 205 HE3 LYS 25 1HE LYS 25 -7.819 -5.991 1.447 206 HZ1 LYS 25 3HZ LYS 25 -9.216 -7.595 2.566 207 HZ2 LYS 25 1HZ LYS 25 -10.117 -6.739 1.424 208 HZ3 LYS 25 2HZ LYS 25 -10.276 -6.380 3.071 209 H CYS 26 H CYS 26 -2.360 -5.483 2.794 210 HA CYS 26 HA CYS 26 -0.742 -5.239 0.542 211 HB2 CYS 26 2HB CYS 26 -0.909 -7.292 2.734 212 HB3 CYS 26 1HB CYS 26 0.095 -7.643 1.338 213 H PHE 27 H PHE 27 -0.408 -6.432 -1.244 214 HA PHE 27 HA PHE 27 -2.722 -7.129 -2.684 215 HB2 PHE 27 2HB PHE 27 -1.163 -7.464 -4.582 216 HB3 PHE 27 1HB PHE 27 -0.859 -5.972 -3.721 217 HD1 PHE 27 1HD PHE 27 1.135 -5.848 -2.101 218 HD2 PHE 27 2HD PHE 27 0.620 -9.069 -4.877 219 HE1 PHE 27 1HE PHE 27 3.518 -6.420 -1.888 220 HE2 PHE 27 2HE PHE 27 3.003 -9.634 -4.643 221 HZ PHE 27 HZ PHE 27 4.447 -8.313 -3.154 222 H LYS 28 H LYS 28 -0.848 -9.132 -0.675 223 HA LYS 28 HA LYS 28 -2.188 -11.506 -1.763 224 HB2 LYS 28 2HB LYS 28 -0.042 -12.856 -1.473 225 HB3 LYS 28 1HB LYS 28 -0.093 -11.747 -2.830 226 HG2 LYS 28 2HG LYS 28 2.060 -11.437 -2.014 227 HG3 LYS 28 1HG LYS 28 1.193 -10.094 -1.278 228 HD2 LYS 28 2HD LYS 28 1.162 -11.222 0.846 229 HD3 LYS 28 1HD LYS 28 1.696 -12.742 0.133 230 HE2 LYS 28 2HE LYS 28 3.360 -10.210 0.317 231 HE3 LYS 28 1HE LYS 28 3.497 -11.614 1.374 232 HZ1 LYS 28 3HZ LYS 28 4.058 -11.542 -1.537 233 HZ2 LYS 28 1HZ LYS 28 4.045 -12.954 -0.604 234 HZ3 LYS 28 2HZ LYS 28 5.176 -11.745 -0.290 235 H CYS 29 H CYS 29 -0.421 -10.056 0.981 236 HA CYS 29 HA CYS 29 -1.133 -12.156 2.820 237 HB2 CYS 29 2HB CYS 29 0.993 -11.028 2.954 238 HB3 CYS 29 1HB CYS 29 0.212 -9.458 3.081 239 H GLY 30 H GLY 30 -2.393 -9.005 1.903 240 HA2 GLY 30 2HA GLY 30 -4.470 -8.105 2.185 241 HA3 GLY 30 1HA GLY 30 -4.959 -9.581 3.000 242 H VAL 31 H VAL 31 -2.207 -8.048 4.421 243 HA VAL 31 HA VAL 31 -3.602 -7.362 6.810 244 HB VAL 31 HB VAL 31 -1.228 -7.951 6.952 245 HG11 VAL 31 1HG1 VAL 31 -0.666 -5.407 5.397 246 HG12 VAL 31 2HG1 VAL 31 -0.384 -7.060 4.851 247 HG13 VAL 31 3HG1 VAL 31 0.553 -6.405 6.193 248 HG21 VAL 31 3HG2 VAL 31 -1.741 -5.081 7.830 249 HG22 VAL 31 1HG2 VAL 31 -0.459 -6.130 8.459 250 HG23 VAL 31 2HG2 VAL 31 -2.157 -6.536 8.732 251 HA PRO 32 HA PRO 32 -4.944 -3.183 5.568 252 HB2 PRO 32 2HB PRO 32 -5.360 -2.929 8.546 253 HB3 PRO 32 1HB PRO 32 -6.496 -2.611 7.214 254 HG2 PRO 32 2HG PRO 32 -6.827 -4.788 8.664 255 HG3 PRO 32 1HG PRO 32 -6.964 -4.884 6.895 256 HD2 PRO 32 2HD PRO 32 -4.595 -5.623 8.603 257 HD3 PRO 32 1HD PRO 32 -5.386 -6.569 7.317 258 H LYS 33 H LYS 33 -3.825 -1.346 5.403 259 HA LYS 33 HA LYS 33 -1.242 -0.841 6.358 260 HB2 LYS 33 2HB LYS 33 -2.288 0.224 4.346 261 HB3 LYS 33 1HB LYS 33 -3.337 1.160 5.405 262 HG2 LYS 33 2HG LYS 33 -1.201 2.162 6.412 263 HG3 LYS 33 1HG LYS 33 -0.333 1.387 5.085 264 HD2 LYS 33 2HD LYS 33 -0.753 3.676 4.446 265 HD3 LYS 33 1HD LYS 33 -1.812 2.650 3.471 266 HE2 LYS 33 2HE LYS 33 -3.655 3.123 5.146 267 HE3 LYS 33 1HE LYS 33 -2.565 4.278 5.915 268 HZ1 LYS 33 3HZ LYS 33 -3.441 4.425 3.084 269 HZ2 LYS 33 1HZ LYS 33 -2.486 5.555 3.900 270 HZ3 LYS 33 2HZ LYS 33 -4.102 5.329 4.346 271 H SER 34 H SER 34 -4.341 -0.311 7.787 272 HA SER 34 HA SER 34 -3.914 1.571 9.764 273 HB2 SER 34 2HB SER 34 -6.120 0.572 9.202 274 HB3 SER 34 1HB SER 34 -5.613 -0.964 9.911 275 HG SER 34 HG SER 34 -5.580 -0.017 11.912 276 H GLU 35 H GLU 35 -3.030 -1.882 9.720 277 HA GLU 35 HA GLU 35 -1.993 -1.882 12.450 278 HB2 GLU 35 2HB GLU 35 -1.821 -4.064 10.322 279 HB3 GLU 35 1HB GLU 35 -1.449 -4.249 12.033 280 HG2 GLU 35 2HG GLU 35 -3.871 -3.701 12.529 281 HG3 GLU 35 1HG GLU 35 -4.175 -3.765 10.791 282 H ALA 36 H ALA 36 -0.834 -1.079 9.354 283 HA ALA 36 HA ALA 36 1.994 -1.748 9.855 284 HB1 ALA 36 1HB ALA 36 0.620 -0.742 7.333 285 HB2 ALA 36 2HB ALA 36 1.006 -2.424 7.701 286 HB3 ALA 36 3HB ALA 36 2.306 -1.256 7.465 287 H GLU 37 H GLU 37 3.290 0.175 8.375 288 HA GLU 37 HA GLU 37 4.397 2.118 8.564 289 HB2 GLU 37 2HB GLU 37 1.658 3.206 9.314 290 HB3 GLU 37 1HB GLU 37 3.052 4.204 8.929 291 HG2 GLU 37 2HG GLU 37 3.096 3.314 6.647 292 HG3 GLU 37 1HG GLU 37 1.734 2.254 7.016 293 H GLN 38 H GLN 38 4.336 4.269 10.424 294 HA GLN 38 HA GLN 38 4.324 2.969 13.092 295 HB2 GLN 38 2HB GLN 38 6.679 3.348 12.409 296 HB3 GLN 38 1HB GLN 38 6.342 5.061 12.166 297 HG2 GLN 38 2HG GLN 38 5.802 5.310 14.560 298 HG3 GLN 38 1HG GLN 38 6.091 3.590 14.811 299 HE21 GLN 38 1HE2 GLN 38 7.653 4.061 16.367 300 HE22 GLN 38 2HE2 GLN 38 9.222 4.638 15.946 301 H LYS 39 H LYS 39 2.483 3.709 13.868 302 HA LYS 39 HA LYS 39 2.025 6.634 14.039 303 HB2 LYS 39 2HB LYS 39 0.010 4.385 13.591 304 HB3 LYS 39 1HB LYS 39 -0.483 5.970 14.182 305 HG2 LYS 39 2HG LYS 39 0.343 7.034 12.144 306 HG3 LYS 39 1HG LYS 39 0.956 5.488 11.551 307 HD2 LYS 39 2HD LYS 39 -1.285 4.614 11.294 308 HD3 LYS 39 1HD LYS 39 -1.990 6.009 12.119 309 HE2 LYS 39 2HE LYS 39 -2.200 6.022 9.586 310 HE3 LYS 39 1HE LYS 39 -1.466 7.466 10.284 311 HZ1 LYS 39 3HZ LYS 39 0.709 6.624 9.686 312 HZ2 LYS 39 1HZ LYS 39 -0.278 6.685 8.315 313 HZ3 LYS 39 2HZ LYS 39 0.031 5.202 9.067 314 H LEU 40 H LEU 40 0.840 7.295 15.940 315 HA LEU 40 HA LEU 40 1.767 6.033 18.367 316 HB2 LEU 40 2HB LEU 40 0.003 8.481 17.877 317 HB3 LEU 40 1HB LEU 40 0.463 7.928 19.474 318 HG LEU 40 HG LEU 40 2.891 8.328 18.851 319 HD11 LEU 40 1HD1 LEU 40 3.446 9.775 16.971 320 HD12 LEU 40 2HD1 LEU 40 1.765 9.742 16.428 321 HD13 LEU 40 3HD1 LEU 40 2.724 8.261 16.424 322 HD21 LEU 40 3HD2 LEU 40 1.672 9.920 20.240 323 HD22 LEU 40 1HD2 LEU 40 1.078 10.762 18.806 324 HD23 LEU 40 2HD2 LEU 40 2.805 10.760 19.185 325 HA PRO 41 HA PRO 41 -1.968 3.554 19.065 326 HB2 PRO 41 2HB PRO 41 -1.449 3.634 21.998 327 HB3 PRO 41 1HB PRO 41 -1.334 2.259 20.884 328 HG2 PRO 41 2HG PRO 41 0.859 3.355 21.989 329 HG3 PRO 41 1HG PRO 41 0.875 2.695 20.336 330 HD2 PRO 41 2HD PRO 41 0.620 5.583 21.201 331 HD3 PRO 41 1HD PRO 41 1.656 4.873 19.937 332 H LEU 42 H LEU 42 -3.062 5.760 18.464 333 HA LEU 42 HA LEU 42 -4.189 7.312 20.646 334 HB2 LEU 42 2HB LEU 42 -4.677 7.513 17.640 335 HB3 LEU 42 1HB LEU 42 -5.179 8.695 18.840 336 HG LEU 42 HG LEU 42 -2.307 8.017 18.090 337 HD11 LEU 42 1HD1 LEU 42 -3.885 10.543 17.522 338 HD12 LEU 42 2HD1 LEU 42 -3.441 9.297 16.351 339 HD13 LEU 42 3HD1 LEU 42 -2.185 10.251 17.132 340 HD21 LEU 42 3HD2 LEU 42 -2.421 8.586 20.462 341 HD22 LEU 42 1HD2 LEU 42 -3.283 10.084 20.094 342 HD23 LEU 42 2HD2 LEU 42 -1.614 9.861 19.556 343 H GLY 43 H GLY 43 -6.266 7.248 21.366 344 HA2 GLY 43 2HA GLY 43 -8.652 6.791 20.962 345 HA3 GLY 43 1HA GLY 43 -8.173 5.274 20.203 Start of MODEL 8 1 H1 GLY 1 H GLY 1 21.178 1.561 -4.690 2 HA2 GLY 1 1HA GLY 1 21.023 2.231 -1.936 3 HA3 GLY 1 2HA GLY 1 22.296 3.205 -2.659 4 H HIS 2 H HIS 2 20.387 4.631 -1.660 5 HA HIS 2 HA HIS 2 18.967 6.333 -1.984 6 HB2 HIS 2 2HB HIS 2 20.359 6.893 -3.959 7 HB3 HIS 2 1HB HIS 2 19.383 5.833 -4.964 8 HD1 HIS 2 1HD HIS 2 17.269 6.797 -5.943 9 HD2 HIS 2 2HD HIS 2 19.027 9.305 -3.133 10 HE1 HIS 2 1HE HIS 2 16.021 8.962 -6.099 11 HE2 HIS 2 2HE HIS 2 16.995 10.413 -4.290 12 H MET 3 H MET 3 16.685 6.812 -2.401 13 HA MET 3 HA MET 3 15.083 4.374 -2.918 14 HB2 MET 3 2HB MET 3 13.510 5.158 -1.138 15 HB3 MET 3 1HB MET 3 15.094 4.705 -0.544 16 HG2 MET 3 2HG MET 3 15.700 7.026 -0.219 17 HG3 MET 3 1HG MET 3 14.215 7.570 -0.993 18 HE1 MET 3 3HE MET 3 11.771 7.113 0.046 19 HE2 MET 3 1HE MET 3 11.505 6.390 1.632 20 HE3 MET 3 2HE MET 3 12.114 5.403 0.304 21 HA PRO 4 HA PRO 4 12.982 7.304 -5.903 22 HB2 PRO 4 2HB PRO 4 12.241 5.142 -7.523 23 HB3 PRO 4 1HB PRO 4 13.698 6.123 -7.783 24 HG2 PRO 4 2HG PRO 4 13.435 3.475 -6.408 25 HG3 PRO 4 1HG PRO 4 14.678 4.026 -7.556 26 HD2 PRO 4 2HD PRO 4 15.172 3.950 -4.923 27 HD3 PRO 4 1HD PRO 4 15.812 5.276 -5.925 28 H LYS 5 H LYS 5 10.729 7.550 -5.770 29 HA LYS 5 HA LYS 5 8.793 7.666 -4.638 30 HB2 LYS 5 2HB LYS 5 9.139 4.667 -4.169 31 HB3 LYS 5 1HB LYS 5 7.753 5.578 -3.587 32 HG2 LYS 5 2HG LYS 5 7.002 4.546 -5.567 33 HG3 LYS 5 1HG LYS 5 7.311 6.220 -6.028 34 HD2 LYS 5 2HD LYS 5 9.498 5.527 -6.995 35 HD3 LYS 5 1HD LYS 5 9.152 3.853 -6.554 36 HE2 LYS 5 2HE LYS 5 7.160 3.898 -8.054 37 HE3 LYS 5 1HE LYS 5 7.570 5.550 -8.522 38 HZ1 LYS 5 3HZ LYS 5 8.443 4.146 -10.179 39 HZ2 LYS 5 1HZ LYS 5 9.123 3.078 -9.049 40 HZ3 LYS 5 2HZ LYS 5 9.771 4.624 -9.253 41 H ILE 6 H ILE 6 8.797 8.863 -2.824 42 HA ILE 6 HA ILE 6 10.699 8.402 -0.665 43 HB ILE 6 HB ILE 6 9.864 10.564 0.257 44 HG12 ILE 6 2HG1 ILE 6 7.974 10.579 -2.159 45 HG13 ILE 6 1HG1 ILE 6 7.486 10.445 -0.473 46 HG21 ILE 6 1HG2 ILE 6 11.721 10.546 -1.363 47 HG22 ILE 6 2HG2 ILE 6 10.757 12.010 -1.521 48 HG23 ILE 6 3HG2 ILE 6 10.577 10.709 -2.699 49 HD11 ILE 6 3HD1 ILE 6 7.096 12.686 -1.305 50 HD12 ILE 6 1HD1 ILE 6 8.793 12.845 -1.760 51 HD13 ILE 6 2HD1 ILE 6 8.343 12.717 -0.058 52 H ASN 7 H ASN 7 8.613 6.428 -0.917 53 HA ASN 7 HA ASN 7 7.147 5.180 0.128 54 HB2 ASN 7 2HB ASN 7 8.455 6.429 2.553 55 HB3 ASN 7 1HB ASN 7 7.259 5.146 2.667 56 HD21 ASN 7 1HD2 ASN 7 8.192 3.707 0.265 57 HD22 ASN 7 2HD2 ASN 7 9.679 2.965 0.727 58 H GLU 8 H GLU 8 5.677 6.833 -1.010 59 HA GLU 8 HA GLU 8 3.568 7.693 0.831 60 HB2 GLU 8 2HB GLU 8 3.836 8.701 -1.473 61 HB3 GLU 8 1HB GLU 8 3.444 7.135 -2.173 62 HG2 GLU 8 2HG GLU 8 1.480 8.487 -2.283 63 HG3 GLU 8 1HG GLU 8 1.199 7.269 -1.042 64 H ASP 9 H ASP 9 4.558 4.931 -1.087 65 HA ASP 9 HA ASP 9 2.708 3.020 -0.226 66 HB2 ASP 9 2HB ASP 9 4.518 1.420 -0.891 67 HB3 ASP 9 1HB ASP 9 4.167 2.606 -2.126 68 H TRP 10 H TRP 10 3.171 1.278 1.269 69 HA TRP 10 HA TRP 10 4.683 2.049 3.684 70 HB2 TRP 10 2HB TRP 10 2.814 0.863 4.972 71 HB3 TRP 10 1HB TRP 10 2.377 2.398 4.233 72 HD1 TRP 10 HD TRP 10 0.553 2.369 2.281 73 HE1 TRP 10 1HE TRP 10 -1.144 0.602 1.551 74 HE3 TRP 10 3HE TRP 10 2.595 -1.758 4.536 75 HZ2 TRP 10 2HZ TRP 10 -1.566 -2.163 1.823 76 HZ3 TRP 10 3HZ TRP 10 1.493 -3.935 4.216 77 HH2 TRP 10 HH TRP 10 -0.544 -4.133 2.886 78 H LEU 11 H LEU 11 5.128 0.169 5.086 79 HA LEU 11 HA LEU 11 5.916 -2.213 3.490 80 HB2 LEU 11 2HB LEU 11 7.679 -0.462 4.430 81 HB3 LEU 11 1HB LEU 11 7.384 -1.238 5.969 82 HG LEU 11 HG LEU 11 9.438 -2.074 4.885 83 HD11 LEU 11 1HD1 LEU 11 7.331 -4.247 5.014 84 HD12 LEU 11 2HD1 LEU 11 8.278 -3.623 6.366 85 HD13 LEU 11 3HD1 LEU 11 9.082 -4.483 5.058 86 HD21 LEU 11 3HD2 LEU 11 7.674 -3.110 2.636 87 HD22 LEU 11 1HD2 LEU 11 9.408 -3.385 2.819 88 HD23 LEU 11 2HD2 LEU 11 8.803 -1.758 2.527 89 H CYS 12 H CYS 12 4.982 -4.055 4.159 90 HA CYS 12 HA CYS 12 3.018 -4.172 6.191 91 HB2 CYS 12 2HB CYS 12 2.880 -5.606 4.238 92 HB3 CYS 12 1HB CYS 12 4.401 -6.388 4.639 93 H ASN 13 H ASN 13 2.892 -5.384 8.055 94 HA ASN 13 HA ASN 13 5.381 -5.795 9.578 95 HB2 ASN 13 2HB ASN 13 3.816 -5.915 11.560 96 HB3 ASN 13 1HB ASN 13 3.773 -4.378 10.707 97 HD21 ASN 13 1HD2 ASN 13 1.970 -7.261 11.463 98 HD22 ASN 13 2HD2 ASN 13 0.450 -6.698 10.884 99 H LYS 14 H LYS 14 2.750 -7.544 8.077 100 HA LYS 14 HA LYS 14 3.361 -10.060 9.415 101 HB2 LYS 14 2HB LYS 14 1.400 -9.471 7.163 102 HB3 LYS 14 1HB LYS 14 1.588 -11.029 7.961 103 HG2 LYS 14 2HG LYS 14 1.006 -9.766 10.155 104 HG3 LYS 14 1HG LYS 14 0.449 -8.467 9.098 105 HD2 LYS 14 2HD LYS 14 -0.560 -11.337 9.076 106 HD3 LYS 14 1HD LYS 14 -1.406 -9.958 9.771 107 HE2 LYS 14 2HE LYS 14 -1.826 -9.008 7.641 108 HE3 LYS 14 1HE LYS 14 -0.650 -10.047 6.843 109 HZ1 LYS 14 3HZ LYS 14 -2.059 -11.890 7.039 110 HZ2 LYS 14 1HZ LYS 14 -3.068 -10.632 6.544 111 HZ3 LYS 14 2HZ LYS 14 -3.066 -11.131 8.157 112 H CYS 15 H CYS 15 3.067 -9.354 5.825 113 HA CYS 15 HA CYS 15 5.011 -11.482 5.310 114 HB2 CYS 15 2HB CYS 15 4.454 -10.955 2.904 115 HB3 CYS 15 1HB CYS 15 3.068 -11.392 3.901 116 H GLY 16 H GLY 16 4.990 -8.010 5.422 117 HA2 GLY 16 2HA GLY 16 6.790 -6.544 5.523 118 HA3 GLY 16 1HA GLY 16 7.875 -7.867 5.132 119 H VAL 17 H VAL 17 5.101 -7.195 3.100 120 HA VAL 17 HA VAL 17 6.829 -6.803 0.829 121 HB VAL 17 HB VAL 17 4.794 -6.715 -0.546 122 HG11 VAL 17 1HG1 VAL 17 3.996 -9.009 -0.139 123 HG12 VAL 17 2HG1 VAL 17 4.758 -9.001 1.453 124 HG13 VAL 17 3HG1 VAL 17 5.753 -8.899 -0.001 125 HG21 VAL 17 3HG2 VAL 17 3.220 -6.892 2.058 126 HG22 VAL 17 1HG2 VAL 17 2.537 -7.031 0.434 127 HG23 VAL 17 2HG2 VAL 17 3.263 -5.513 0.961 128 H GLN 18 H GLN 18 7.292 -4.999 -0.269 129 HA GLN 18 HA GLN 18 6.295 -2.369 0.541 130 HB2 GLN 18 2HB GLN 18 8.699 -2.677 -0.012 131 HB3 GLN 18 1HB GLN 18 8.282 -3.245 -1.619 132 HG2 GLN 18 2HG GLN 18 7.446 -0.475 -0.759 133 HG3 GLN 18 1HG GLN 18 9.117 -0.765 -1.231 134 HE21 GLN 18 1HE2 GLN 18 7.151 0.961 -2.482 135 HE22 GLN 18 2HE2 GLN 18 6.959 0.411 -4.106 136 H ASN 19 H ASN 19 4.357 -1.746 -0.274 137 HA ASN 19 HA ASN 19 3.174 -3.215 -2.515 138 HB2 ASN 19 2HB ASN 19 1.045 -2.303 -1.809 139 HB3 ASN 19 1HB ASN 19 1.893 -2.845 -0.364 140 HD21 ASN 19 1HD2 ASN 19 -0.238 -0.792 -0.826 141 HD22 ASN 19 2HD2 ASN 19 0.349 0.631 -0.059 142 H PHE 20 H PHE 20 1.692 -1.856 -3.932 143 HA PHE 20 HA PHE 20 3.122 0.327 -5.223 144 HB2 PHE 20 2HB PHE 20 2.109 -1.537 -6.552 145 HB3 PHE 20 1HB PHE 20 0.512 -1.062 -5.979 146 HD1 PHE 20 1HD PHE 20 3.480 0.452 -7.714 147 HD2 PHE 20 2HD PHE 20 -0.787 0.324 -7.408 148 HE1 PHE 20 1HE PHE 20 3.288 1.979 -9.641 149 HE2 PHE 20 2HE PHE 20 -0.962 1.845 -9.344 150 HZ PHE 20 HZ PHE 20 1.073 2.675 -10.453 151 H LYS 21 H LYS 21 2.365 1.104 -2.722 152 HA LYS 21 HA LYS 21 1.344 2.480 -1.318 153 HB2 LYS 21 2HB LYS 21 1.031 4.776 -2.080 154 HB3 LYS 21 1HB LYS 21 2.472 4.076 -2.790 155 HG2 LYS 21 2HG LYS 21 1.323 3.775 -4.923 156 HG3 LYS 21 1HG LYS 21 -0.162 4.389 -4.218 157 HD2 LYS 21 2HD LYS 21 0.931 6.130 -5.564 158 HD3 LYS 21 1HD LYS 21 0.923 6.597 -3.860 159 HE2 LYS 21 2HE LYS 21 3.267 5.893 -3.639 160 HE3 LYS 21 1HE LYS 21 3.278 5.357 -5.323 161 HZ1 LYS 21 3HZ LYS 21 2.713 8.159 -4.522 162 HZ2 LYS 21 1HZ LYS 21 3.039 7.568 -6.073 163 HZ3 LYS 21 2HZ LYS 21 4.255 7.593 -4.906 164 H ARG 22 H ARG 22 -0.931 2.635 -4.140 165 HA ARG 22 HA ARG 22 -3.229 2.798 -2.426 166 HB2 ARG 22 2HB ARG 22 -2.786 2.739 -5.422 167 HB3 ARG 22 1HB ARG 22 -4.401 2.436 -4.794 168 HG2 ARG 22 2HG ARG 22 -2.750 4.934 -4.325 169 HG3 ARG 22 1HG ARG 22 -4.163 4.792 -5.376 170 HD2 ARG 22 2HD ARG 22 -5.486 4.082 -3.301 171 HD3 ARG 22 1HD ARG 22 -4.083 4.582 -2.353 172 HE ARG 22 HE ARG 22 -4.696 6.764 -3.887 173 HH11 ARG 22 1HH1 ARG 22 -6.432 4.821 -1.503 174 HH12 ARG 22 2HH1 ARG 22 -7.441 6.144 -0.992 175 HH21 ARG 22 1HH2 ARG 22 -6.072 8.465 -3.247 176 HH22 ARG 22 2HH2 ARG 22 -7.237 8.207 -1.975 177 H ARG 23 H ARG 23 -1.990 0.622 -1.605 178 HA ARG 23 HA ARG 23 -4.152 -1.338 -2.012 179 HB2 ARG 23 2HB ARG 23 -1.247 -1.822 -1.194 180 HB3 ARG 23 1HB ARG 23 -2.524 -2.964 -0.827 181 HG2 ARG 23 2HG ARG 23 -1.531 -3.834 -2.741 182 HG3 ARG 23 1HG ARG 23 -2.987 -3.046 -3.342 183 HD2 ARG 23 2HD ARG 23 -1.558 -1.053 -3.949 184 HD3 ARG 23 1HD ARG 23 -0.144 -2.011 -3.506 185 HE ARG 23 HE ARG 23 -0.600 -3.495 -5.304 186 HH11 ARG 23 1HH1 ARG 23 -2.596 -0.604 -5.342 187 HH12 ARG 23 2HH1 ARG 23 -3.003 -0.765 -7.015 188 HH21 ARG 23 1HH2 ARG 23 -1.156 -3.699 -7.500 189 HH22 ARG 23 2HH2 ARG 23 -2.188 -2.518 -8.235 190 H GLU 24 H GLU 24 -5.527 -1.065 -0.361 191 HA GLU 24 HA GLU 24 -4.735 0.219 2.126 192 HB2 GLU 24 2HB GLU 24 -7.410 -0.890 1.180 193 HB3 GLU 24 1HB GLU 24 -7.173 -0.101 2.735 194 HG2 GLU 24 2HG GLU 24 -8.148 1.481 1.219 195 HG3 GLU 24 1HG GLU 24 -6.489 1.976 1.548 196 H LYS 25 H LYS 25 -4.683 -2.909 0.929 197 HA LYS 25 HA LYS 25 -3.751 -3.909 3.509 198 HB2 LYS 25 2HB LYS 25 -5.812 -5.332 1.785 199 HB3 LYS 25 1HB LYS 25 -4.801 -6.201 2.936 200 HG2 LYS 25 2HG LYS 25 -5.729 -4.858 4.778 201 HG3 LYS 25 1HG LYS 25 -6.756 -3.989 3.630 202 HD2 LYS 25 2HD LYS 25 -7.898 -6.109 3.049 203 HD3 LYS 25 1HD LYS 25 -6.859 -6.982 4.185 204 HE2 LYS 25 2HE LYS 25 -7.795 -5.779 6.059 205 HE3 LYS 25 1HE LYS 25 -8.716 -4.721 4.983 206 HZ1 LYS 25 3HZ LYS 25 -10.161 -6.392 5.848 207 HZ2 LYS 25 1HZ LYS 25 -9.119 -7.636 5.381 208 HZ3 LYS 25 2HZ LYS 25 -9.920 -6.723 4.207 209 H CYS 26 H CYS 26 -2.331 -5.854 3.221 210 HA CYS 26 HA CYS 26 -0.488 -5.675 1.118 211 HB2 CYS 26 2HB CYS 26 -1.120 -7.879 3.085 212 HB3 CYS 26 1HB CYS 26 0.057 -8.156 1.804 213 H PHE 27 H PHE 27 -0.244 -6.769 -0.840 214 HA PHE 27 HA PHE 27 -2.676 -7.184 -2.242 215 HB2 PHE 27 2HB PHE 27 -1.282 -7.547 -4.227 216 HB3 PHE 27 1HB PHE 27 -0.722 -6.172 -3.304 217 HD1 PHE 27 1HD PHE 27 1.420 -6.318 -1.992 218 HD2 PHE 27 2HD PHE 27 0.187 -9.439 -4.644 219 HE1 PHE 27 1HE PHE 27 3.721 -7.172 -2.068 220 HE2 PHE 27 2HE PHE 27 2.496 -10.294 -4.698 221 HZ PHE 27 HZ PHE 27 4.265 -9.159 -3.412 222 H LYS 28 H LYS 28 -0.962 -9.401 -0.359 223 HA LYS 28 HA LYS 28 -2.578 -11.588 -1.420 224 HB2 LYS 28 2HB LYS 28 -0.593 -13.169 -1.289 225 HB3 LYS 28 1HB LYS 28 -0.583 -12.011 -2.607 226 HG2 LYS 28 2HG LYS 28 1.633 -12.009 -1.886 227 HG3 LYS 28 1HG LYS 28 0.968 -10.573 -1.108 228 HD2 LYS 28 2HD LYS 28 0.827 -11.761 1.010 229 HD3 LYS 28 1HD LYS 28 1.263 -13.287 0.247 230 HE2 LYS 28 2HE LYS 28 3.084 -10.868 0.393 231 HE3 LYS 28 1HE LYS 28 3.121 -12.210 1.534 232 HZ1 LYS 28 3HZ LYS 28 3.534 -13.675 -0.428 233 HZ2 LYS 28 1HZ LYS 28 4.783 -12.589 -0.066 234 HZ3 LYS 28 2HZ LYS 28 3.742 -12.284 -1.354 235 H CYS 29 H CYS 29 -0.594 -10.328 1.270 236 HA CYS 29 HA CYS 29 -1.360 -12.490 3.030 237 HB2 CYS 29 2HB CYS 29 0.908 -11.538 3.019 238 HB3 CYS 29 1HB CYS 29 0.262 -9.968 3.508 239 H GLY 30 H GLY 30 -2.280 -9.155 2.459 240 HA2 GLY 30 2HA GLY 30 -4.090 -7.918 3.110 241 HA3 GLY 30 1HA GLY 30 -4.792 -9.405 3.713 242 H VAL 31 H VAL 31 -2.105 -7.176 4.665 243 HA VAL 31 HA VAL 31 -3.395 -6.953 7.331 244 HB VAL 31 HB VAL 31 -0.929 -7.422 7.397 245 HG11 VAL 31 1HG1 VAL 31 0.729 -5.717 6.804 246 HG12 VAL 31 2HG1 VAL 31 -0.546 -4.680 6.158 247 HG13 VAL 31 3HG1 VAL 31 -0.191 -6.224 5.386 248 HG21 VAL 31 3HG2 VAL 31 -2.048 -6.276 9.266 249 HG22 VAL 31 1HG2 VAL 31 -1.710 -4.709 8.529 250 HG23 VAL 31 2HG2 VAL 31 -0.381 -5.726 9.101 251 HA PRO 32 HA PRO 32 -5.107 -3.058 5.811 252 HB2 PRO 32 2HB PRO 32 -5.232 -2.253 8.720 253 HB3 PRO 32 1HB PRO 32 -6.536 -2.349 7.514 254 HG2 PRO 32 2HG PRO 32 -6.355 -4.164 9.453 255 HG3 PRO 32 1HG PRO 32 -6.832 -4.640 7.808 256 HD2 PRO 32 2HD PRO 32 -4.146 -4.923 9.138 257 HD3 PRO 32 1HD PRO 32 -5.041 -6.095 8.139 258 H LYS 33 H LYS 33 -4.096 -1.186 5.200 259 HA LYS 33 HA LYS 33 -1.478 -0.444 5.721 260 HB2 LYS 33 2HB LYS 33 -2.713 0.441 3.821 261 HB3 LYS 33 1HB LYS 33 -3.900 1.185 4.880 262 HG2 LYS 33 2HG LYS 33 -1.668 2.496 5.748 263 HG3 LYS 33 1HG LYS 33 -1.182 2.159 4.093 264 HD2 LYS 33 2HD LYS 33 -2.251 4.338 4.144 265 HD3 LYS 33 1HD LYS 33 -3.337 3.219 3.305 266 HE2 LYS 33 2HE LYS 33 -4.650 4.539 4.842 267 HE3 LYS 33 1HE LYS 33 -4.573 2.901 5.477 268 HZ1 LYS 33 3HZ LYS 33 -2.745 3.665 6.936 269 HZ2 LYS 33 1HZ LYS 33 -4.205 4.473 7.237 270 HZ3 LYS 33 2HZ LYS 33 -2.972 5.237 6.373 271 H SER 34 H SER 34 -4.454 0.412 7.336 272 HA SER 34 HA SER 34 -3.769 2.369 9.143 273 HB2 SER 34 2HB SER 34 -6.074 1.537 8.773 274 HB3 SER 34 1HB SER 34 -5.654 -0.009 9.509 275 HG SER 34 HG SER 34 -5.489 0.961 11.467 276 H GLU 35 H GLU 35 -3.484 -1.177 9.515 277 HA GLU 35 HA GLU 35 -2.018 -0.960 12.056 278 HB2 GLU 35 2HB GLU 35 -3.542 -3.171 10.672 279 HB3 GLU 35 1HB GLU 35 -2.307 -3.615 11.847 280 HG2 GLU 35 2HG GLU 35 -4.564 -3.558 12.830 281 HG3 GLU 35 1HG GLU 35 -3.465 -2.427 13.608 282 H ALA 36 H ALA 36 -1.232 -1.113 8.829 283 HA ALA 36 HA ALA 36 1.177 -2.722 9.028 284 HB1 ALA 36 1HB ALA 36 0.258 -0.826 6.842 285 HB2 ALA 36 2HB ALA 36 -0.038 -2.564 6.896 286 HB3 ALA 36 3HB ALA 36 1.612 -1.959 6.729 287 H GLU 37 H GLU 37 0.272 0.671 8.868 288 HA GLU 37 HA GLU 37 2.865 1.733 9.484 289 HB2 GLU 37 2HB GLU 37 0.089 2.985 9.696 290 HB3 GLU 37 1HB GLU 37 1.607 3.863 9.868 291 HG2 GLU 37 2HG GLU 37 2.191 3.275 7.530 292 HG3 GLU 37 1HG GLU 37 0.646 2.434 7.379 293 H GLN 38 H GLN 38 3.768 1.932 11.430 294 HA GLN 38 HA GLN 38 2.831 0.709 13.776 295 HB2 GLN 38 2HB GLN 38 5.223 1.063 13.241 296 HB3 GLN 38 1HB GLN 38 5.014 2.801 13.389 297 HG2 GLN 38 2HG GLN 38 4.475 2.503 15.799 298 HG3 GLN 38 1HG GLN 38 4.762 0.773 15.631 299 HE21 GLN 38 1HE2 GLN 38 7.088 1.116 13.840 300 HE22 GLN 38 2HE2 GLN 38 8.373 1.691 14.839 301 H LYS 39 H LYS 39 0.833 1.453 14.340 302 HA LYS 39 HA LYS 39 -0.772 2.628 15.379 303 HB2 LYS 39 2HB LYS 39 0.968 3.297 17.019 304 HB3 LYS 39 1HB LYS 39 1.393 4.680 16.021 305 HG2 LYS 39 2HG LYS 39 -0.789 5.700 16.429 306 HG3 LYS 39 1HG LYS 39 -1.321 4.280 17.336 307 HD2 LYS 39 2HD LYS 39 0.950 6.155 18.125 308 HD3 LYS 39 1HD LYS 39 -0.655 6.117 18.854 309 HE2 LYS 39 2HE LYS 39 -0.232 3.791 19.624 310 HE3 LYS 39 1HE LYS 39 1.388 3.865 18.929 311 HZ1 LYS 39 3HZ LYS 39 1.839 5.758 20.439 312 HZ2 LYS 39 1HZ LYS 39 1.521 4.309 21.255 313 HZ3 LYS 39 2HZ LYS 39 0.332 5.506 21.164 314 H LEU 40 H LEU 40 -2.388 4.071 14.720 315 HA LEU 40 HA LEU 40 -2.219 5.201 12.117 316 HB2 LEU 40 2HB LEU 40 -4.307 5.556 14.311 317 HB3 LEU 40 1HB LEU 40 -4.436 6.353 12.755 318 HG LEU 40 HG LEU 40 -4.430 4.036 11.680 319 HD11 LEU 40 1HD1 LEU 40 -3.486 2.748 13.526 320 HD12 LEU 40 2HD1 LEU 40 -5.051 2.109 13.034 321 HD13 LEU 40 3HD1 LEU 40 -4.917 3.074 14.508 322 HD21 LEU 40 3HD2 LEU 40 -6.483 5.364 11.912 323 HD22 LEU 40 1HD2 LEU 40 -6.756 4.696 13.524 324 HD23 LEU 40 2HD2 LEU 40 -6.820 3.648 12.103 325 HA PRO 41 HA PRO 41 -0.395 9.216 13.065 326 HB2 PRO 41 2HB PRO 41 -1.500 10.692 10.965 327 HB3 PRO 41 1HB PRO 41 -0.084 9.637 10.805 328 HG2 PRO 41 2HG PRO 41 -2.940 9.076 10.109 329 HG3 PRO 41 1HG PRO 41 -1.453 8.653 9.224 330 HD2 PRO 41 2HD PRO 41 -2.763 6.827 10.717 331 HD3 PRO 41 1HD PRO 41 -0.994 6.823 10.587 332 H LEU 42 H LEU 42 -0.982 10.862 14.351 333 HA LEU 42 HA LEU 42 -3.373 10.883 15.748 334 HB2 LEU 42 2HB LEU 42 -2.607 12.876 16.868 335 HB3 LEU 42 1HB LEU 42 -1.237 11.817 16.610 336 HG LEU 42 HG LEU 42 -1.808 14.261 14.874 337 HD11 LEU 42 1HD1 LEU 42 0.102 14.089 17.231 338 HD12 LEU 42 2HD1 LEU 42 -1.416 14.988 17.189 339 HD13 LEU 42 3HD1 LEU 42 -0.086 15.464 16.136 340 HD21 LEU 42 3HD2 LEU 42 -0.380 12.582 13.773 341 HD22 LEU 42 1HD2 LEU 42 0.737 12.622 15.140 342 HD23 LEU 42 2HD2 LEU 42 0.517 14.055 14.133 343 H GLY 43 H GLY 43 -5.332 11.794 15.466 344 HA2 GLY 43 2HA GLY 43 -5.741 14.082 13.659 345 HA3 GLY 43 1HA GLY 43 -6.585 12.582 13.286 Start of MODEL 9 1 H1 GLY 1 H GLY 1 21.174 13.554 -5.911 2 HA2 GLY 1 1HA GLY 1 21.918 12.297 -3.472 3 HA3 GLY 1 2HA GLY 1 21.177 13.842 -3.084 4 H HIS 2 H HIS 2 19.085 13.637 -2.608 5 HA HIS 2 HA HIS 2 17.560 11.305 -3.522 6 HB2 HIS 2 2HB HIS 2 17.011 13.379 -1.353 7 HB3 HIS 2 1HB HIS 2 15.886 12.092 -1.776 8 HD1 HIS 2 1HD HIS 2 16.385 9.736 -0.924 9 HD2 HIS 2 2HD HIS 2 19.356 12.495 0.018 10 HE1 HIS 2 1HE HIS 2 17.891 8.587 0.717 11 HE2 HIS 2 2HE HIS 2 19.789 10.197 1.093 12 H MET 3 H MET 3 15.294 11.574 -4.070 13 HA MET 3 HA MET 3 14.700 13.953 -5.728 14 HB2 MET 3 2HB MET 3 13.720 11.068 -5.909 15 HB3 MET 3 1HB MET 3 13.047 12.376 -6.874 16 HG2 MET 3 2HG MET 3 14.634 11.123 -8.207 17 HG3 MET 3 1HG MET 3 15.281 12.737 -7.899 18 HE1 MET 3 3HE MET 3 17.190 10.535 -9.030 19 HE2 MET 3 1HE MET 3 18.586 10.638 -7.947 20 HE3 MET 3 2HE MET 3 17.801 12.107 -8.516 21 HA PRO 4 HA PRO 4 11.312 15.177 -3.048 22 HB2 PRO 4 2HB PRO 4 9.263 15.651 -4.944 23 HB3 PRO 4 1HB PRO 4 10.525 16.815 -4.490 24 HG2 PRO 4 2HG PRO 4 10.433 14.957 -6.852 25 HG3 PRO 4 1HG PRO 4 10.987 16.647 -6.772 26 HD2 PRO 4 2HD PRO 4 12.768 14.653 -6.835 27 HD3 PRO 4 1HD PRO 4 13.050 16.071 -5.798 28 H LYS 5 H LYS 5 10.391 13.684 -1.778 29 HA LYS 5 HA LYS 5 9.642 11.090 -2.590 30 HB2 LYS 5 2HB LYS 5 8.953 12.531 0.003 31 HB3 LYS 5 1HB LYS 5 8.761 10.803 -0.284 32 HG2 LYS 5 2HG LYS 5 11.251 10.658 -0.635 33 HG3 LYS 5 1HG LYS 5 11.366 12.355 -0.152 34 HD2 LYS 5 2HD LYS 5 10.363 11.768 2.061 35 HD3 LYS 5 1HD LYS 5 10.292 10.071 1.568 36 HE2 LYS 5 2HE LYS 5 12.823 11.729 1.879 37 HE3 LYS 5 1HE LYS 5 12.246 10.514 3.020 38 HZ1 LYS 5 3HZ LYS 5 12.521 8.828 1.291 39 HZ2 LYS 5 1HZ LYS 5 13.978 9.633 1.590 40 HZ3 LYS 5 2HZ LYS 5 13.076 9.999 0.210 41 H ILE 6 H ILE 6 8.061 11.041 -4.112 42 HA ILE 6 HA ILE 6 5.357 12.058 -3.482 43 HB ILE 6 HB ILE 6 4.773 11.409 -5.821 44 HG12 ILE 6 2HG1 ILE 6 7.730 10.642 -6.088 45 HG13 ILE 6 1HG1 ILE 6 6.372 9.524 -6.131 46 HG21 ILE 6 1HG2 ILE 6 6.043 13.181 -6.961 47 HG22 ILE 6 2HG2 ILE 6 7.232 13.190 -5.655 48 HG23 ILE 6 3HG2 ILE 6 5.568 13.692 -5.339 49 HD11 ILE 6 3HD1 ILE 6 7.201 9.915 -8.357 50 HD12 ILE 6 1HD1 ILE 6 6.996 11.657 -8.179 51 HD13 ILE 6 2HD1 ILE 6 5.583 10.598 -8.208 52 H ASN 7 H ASN 7 7.141 9.446 -2.714 53 HA ASN 7 HA ASN 7 5.319 7.294 -3.198 54 HB2 ASN 7 2HB ASN 7 6.804 5.935 -1.844 55 HB3 ASN 7 1HB ASN 7 7.803 6.974 -2.847 56 HD21 ASN 7 1HD2 ASN 7 6.833 6.203 0.404 57 HD22 ASN 7 2HD2 ASN 7 7.997 7.191 1.210 58 H GLU 8 H GLU 8 3.845 6.396 -1.839 59 HA GLU 8 HA GLU 8 3.400 7.477 0.884 60 HB2 GLU 8 2HB GLU 8 1.744 8.478 -0.728 61 HB3 GLU 8 1HB GLU 8 1.231 6.867 -1.193 62 HG2 GLU 8 2HG GLU 8 -0.374 7.976 0.346 63 HG3 GLU 8 1HG GLU 8 0.276 6.470 1.008 64 H ASP 9 H ASP 9 4.556 5.095 -0.689 65 HA ASP 9 HA ASP 9 3.224 2.696 -0.241 66 HB2 ASP 9 2HB ASP 9 6.194 3.295 -0.394 67 HB3 ASP 9 1HB ASP 9 5.494 1.696 -0.585 68 H TRP 10 H TRP 10 2.628 1.959 1.681 69 HA TRP 10 HA TRP 10 4.226 2.343 4.101 70 HB2 TRP 10 2HB TRP 10 2.275 1.196 5.234 71 HB3 TRP 10 1HB TRP 10 1.907 2.728 4.472 72 HD1 TRP 10 HD TRP 10 0.140 2.711 2.430 73 HE1 TRP 10 1HE TRP 10 -1.530 0.924 1.641 74 HE3 TRP 10 3HE TRP 10 2.055 -1.377 4.858 75 HZ2 TRP 10 2HZ TRP 10 -1.966 -1.834 1.965 76 HZ3 TRP 10 3HZ TRP 10 0.957 -3.552 4.545 77 HH2 TRP 10 HH TRP 10 -1.004 -3.786 3.126 78 H LEU 11 H LEU 11 5.193 0.731 5.211 79 HA LEU 11 HA LEU 11 5.790 -1.761 3.773 80 HB2 LEU 11 2HB LEU 11 7.500 -0.010 4.937 81 HB3 LEU 11 1HB LEU 11 7.143 -0.950 6.365 82 HG LEU 11 HG LEU 11 9.255 -1.665 5.313 83 HD11 LEU 11 1HD1 LEU 11 8.919 -4.060 5.168 84 HD12 LEU 11 2HD1 LEU 11 7.171 -3.833 5.027 85 HD13 LEU 11 3HD1 LEU 11 8.009 -3.377 6.514 86 HD21 LEU 11 3HD2 LEU 11 9.355 -2.684 3.109 87 HD22 LEU 11 1HD2 LEU 11 8.737 -1.036 3.002 88 HD23 LEU 11 2HD2 LEU 11 7.627 -2.404 2.871 89 H CYS 12 H CYS 12 4.970 -3.712 4.543 90 HA CYS 12 HA CYS 12 3.005 -3.803 6.622 91 HB2 CYS 12 2HB CYS 12 2.849 -5.244 4.597 92 HB3 CYS 12 1HB CYS 12 4.320 -6.078 5.073 93 H ASN 13 H ASN 13 3.095 -5.356 8.413 94 HA ASN 13 HA ASN 13 5.786 -6.094 9.372 95 HB2 ASN 13 2HB ASN 13 4.794 -5.728 11.774 96 HB3 ASN 13 1HB ASN 13 5.372 -4.338 10.864 97 HD21 ASN 13 1HD2 ASN 13 2.489 -6.067 11.910 98 HD22 ASN 13 2HD2 ASN 13 1.407 -4.734 11.732 99 H LYS 14 H LYS 14 2.682 -7.124 8.518 100 HA LYS 14 HA LYS 14 2.876 -9.668 9.908 101 HB2 LYS 14 2HB LYS 14 1.013 -8.643 7.746 102 HB3 LYS 14 1HB LYS 14 1.036 -10.344 8.205 103 HG2 LYS 14 2HG LYS 14 0.642 -9.449 10.629 104 HG3 LYS 14 1HG LYS 14 0.160 -7.947 9.827 105 HD2 LYS 14 2HD LYS 14 -1.592 -9.149 8.595 106 HD3 LYS 14 1HD LYS 14 -1.062 -10.686 9.282 107 HE2 LYS 14 2HE LYS 14 -3.028 -9.961 10.471 108 HE3 LYS 14 1HE LYS 14 -1.646 -9.802 11.554 109 HZ1 LYS 14 3HZ LYS 14 -3.018 -7.610 10.082 110 HZ2 LYS 14 1HZ LYS 14 -1.591 -7.414 10.972 111 HZ3 LYS 14 2HZ LYS 14 -3.015 -7.876 11.750 112 H CYS 15 H CYS 15 2.789 -8.989 6.285 113 HA CYS 15 HA CYS 15 4.521 -11.298 5.869 114 HB2 CYS 15 2HB CYS 15 4.269 -10.759 3.477 115 HB3 CYS 15 1HB CYS 15 2.712 -10.839 4.291 116 H GLY 16 H GLY 16 4.774 -7.792 5.865 117 HA2 GLY 16 2HA GLY 16 6.647 -6.494 6.267 118 HA3 GLY 16 1HA GLY 16 7.679 -7.902 6.072 119 H VAL 17 H VAL 17 5.298 -7.124 3.629 120 HA VAL 17 HA VAL 17 7.397 -6.601 1.657 121 HB VAL 17 HB VAL 17 5.704 -6.811 -0.063 122 HG11 VAL 17 1HG1 VAL 17 5.187 -8.915 2.062 123 HG12 VAL 17 2HG1 VAL 17 6.492 -8.934 0.872 124 HG13 VAL 17 3HG1 VAL 17 4.813 -9.074 0.341 125 HG21 VAL 17 3HG2 VAL 17 3.592 -6.780 2.133 126 HG22 VAL 17 1HG2 VAL 17 3.273 -7.112 0.425 127 HG23 VAL 17 2HG2 VAL 17 3.864 -5.527 0.924 128 H GLN 18 H GLN 18 6.986 -4.800 0.063 129 HA GLN 18 HA GLN 18 5.867 -2.359 1.307 130 HB2 GLN 18 2HB GLN 18 8.181 -2.186 0.415 131 HB3 GLN 18 1HB GLN 18 7.619 -2.690 -1.170 132 HG2 GLN 18 2HG GLN 18 6.174 -0.633 -1.213 133 HG3 GLN 18 1HG GLN 18 6.945 -0.108 0.281 134 HE21 GLN 18 1HE2 GLN 18 6.937 1.175 -2.358 135 HE22 GLN 18 2HE2 GLN 18 8.595 1.351 -2.801 136 H ASN 19 H ASN 19 3.752 -1.972 0.749 137 HA ASN 19 HA ASN 19 2.537 -3.088 -1.610 138 HB2 ASN 19 2HB ASN 19 0.566 -2.511 -0.604 139 HB3 ASN 19 1HB ASN 19 1.514 -1.986 0.769 140 HD21 ASN 19 1HD2 ASN 19 2.162 0.296 0.790 141 HD22 ASN 19 2HD2 ASN 19 1.086 1.474 0.120 142 H PHE 20 H PHE 20 1.500 -1.645 -3.292 143 HA PHE 20 HA PHE 20 3.541 0.119 -4.406 144 HB2 PHE 20 2HB PHE 20 2.453 -1.750 -5.714 145 HB3 PHE 20 1HB PHE 20 0.924 -0.875 -5.630 146 HD1 PHE 20 2HD PHE 20 4.488 -0.044 -6.480 147 HD2 PHE 20 1HD PHE 20 0.372 0.206 -7.643 148 HE1 PHE 20 2HE PHE 20 5.118 1.214 -8.499 149 HE2 PHE 20 1HE PHE 20 1.018 1.468 -9.655 150 HZ PHE 20 HZ PHE 20 3.388 1.966 -10.078 151 H LYS 21 H LYS 21 2.240 1.251 -2.175 152 HA LYS 21 HA LYS 21 0.942 2.806 -1.194 153 HB2 LYS 21 2HB LYS 21 1.477 5.018 -1.894 154 HB3 LYS 21 1HB LYS 21 2.841 4.022 -2.317 155 HG2 LYS 21 2HG LYS 21 2.304 4.043 -4.631 156 HG3 LYS 21 1HG LYS 21 0.739 4.783 -4.322 157 HD2 LYS 21 2HD LYS 21 1.920 6.842 -3.504 158 HD3 LYS 21 1HD LYS 21 3.464 6.076 -3.895 159 HE2 LYS 21 2HE LYS 21 2.754 5.960 -6.285 160 HE3 LYS 21 1HE LYS 21 1.261 6.800 -5.858 161 HZ1 LYS 21 3HZ LYS 21 4.019 7.871 -5.623 162 HZ2 LYS 21 1HZ LYS 21 2.625 8.667 -5.092 163 HZ3 LYS 21 2HZ LYS 21 2.834 8.342 -6.733 164 H ARG 22 H ARG 22 -0.531 1.283 -3.565 165 HA ARG 22 HA ARG 22 -2.773 3.176 -3.960 166 HB2 ARG 22 2HB ARG 22 -1.920 0.831 -5.716 167 HB3 ARG 22 1HB ARG 22 -3.311 1.867 -6.016 168 HG2 ARG 22 2HG ARG 22 -0.388 2.695 -6.104 169 HG3 ARG 22 1HG ARG 22 -1.467 2.485 -7.485 170 HD2 ARG 22 2HD ARG 22 -1.782 4.557 -5.286 171 HD3 ARG 22 1HD ARG 22 -1.129 4.868 -6.898 172 HE ARG 22 HE ARG 22 -3.576 3.818 -7.423 173 HH11 ARG 22 1HH1 ARG 22 -2.559 6.495 -5.355 174 HH12 ARG 22 2HH1 ARG 22 -4.044 7.359 -5.556 175 HH21 ARG 22 1HH2 ARG 22 -5.491 5.000 -7.696 176 HH22 ARG 22 2HH2 ARG 22 -5.699 6.512 -6.884 177 H ARG 23 H ARG 23 -1.819 0.313 -2.444 178 HA ARG 23 HA ARG 23 -4.524 -0.852 -2.365 179 HB2 ARG 23 2HB ARG 23 -1.872 -2.064 -1.465 180 HB3 ARG 23 1HB ARG 23 -3.432 -2.871 -1.467 181 HG2 ARG 23 2HG ARG 23 -2.491 -3.768 -3.370 182 HG3 ARG 23 1HG ARG 23 -3.374 -2.406 -4.054 183 HD2 ARG 23 2HD ARG 23 -1.279 -1.082 -4.084 184 HD3 ARG 23 1HD ARG 23 -0.406 -2.476 -3.429 185 HE ARG 23 HE ARG 23 -1.669 -2.313 -6.104 186 HH11 ARG 23 1HH1 ARG 23 0.648 -3.896 -3.955 187 HH12 ARG 23 2HH1 ARG 23 1.329 -4.862 -5.216 188 HH21 ARG 23 1HH2 ARG 23 -0.743 -3.586 -7.732 189 HH22 ARG 23 2HH2 ARG 23 0.542 -4.686 -7.355 190 H GLU 24 H GLU 24 -5.647 -0.882 -0.476 191 HA GLU 24 HA GLU 24 -4.655 0.560 1.848 192 HB2 GLU 24 2HB GLU 24 -7.284 -0.962 1.608 193 HB3 GLU 24 1HB GLU 24 -6.880 0.271 2.788 194 HG2 GLU 24 2HG GLU 24 -8.220 1.503 1.367 195 HG3 GLU 24 1HG GLU 24 -6.644 1.821 0.650 196 H LYS 25 H LYS 25 -4.975 -2.711 0.767 197 HA LYS 25 HA LYS 25 -3.877 -3.775 3.306 198 HB2 LYS 25 2HB LYS 25 -5.625 -5.226 1.271 199 HB3 LYS 25 1HB LYS 25 -4.906 -5.953 2.709 200 HG2 LYS 25 2HG LYS 25 -6.261 -4.458 4.139 201 HG3 LYS 25 1HG LYS 25 -7.004 -3.752 2.699 202 HD2 LYS 25 2HD LYS 25 -7.229 -6.635 3.654 203 HD3 LYS 25 1HD LYS 25 -8.502 -5.408 3.673 204 HE2 LYS 25 2HE LYS 25 -7.213 -6.616 1.195 205 HE3 LYS 25 1HE LYS 25 -8.835 -6.950 1.801 206 HZ1 LYS 25 3HZ LYS 25 -8.887 -5.380 -0.015 207 HZ2 LYS 25 1HZ LYS 25 -7.859 -4.325 0.813 208 HZ3 LYS 25 2HZ LYS 25 -9.410 -4.633 1.405 209 H CYS 26 H CYS 26 -2.352 -5.592 2.995 210 HA CYS 26 HA CYS 26 -0.451 -5.216 0.952 211 HB2 CYS 26 2HB CYS 26 -0.915 -7.421 2.965 212 HB3 CYS 26 1HB CYS 26 0.297 -7.615 1.706 213 H PHE 27 H PHE 27 0.068 -6.492 -0.874 214 HA PHE 27 HA PHE 27 -2.193 -6.998 -2.511 215 HB2 PHE 27 2HB PHE 27 -0.656 -7.271 -4.325 216 HB3 PHE 27 1HB PHE 27 0.020 -6.039 -3.279 217 HD1 PHE 27 2HD PHE 27 1.744 -6.997 -1.416 218 HD2 PHE 27 1HD PHE 27 0.826 -8.872 -5.168 219 HE1 PHE 27 2HE PHE 27 3.893 -8.195 -1.366 220 HE2 PHE 27 1HE PHE 27 2.978 -10.048 -5.092 221 HZ PHE 27 HZ PHE 27 4.507 -9.711 -3.200 222 H LYS 28 H LYS 28 -0.469 -9.095 -0.410 223 HA LYS 28 HA LYS 28 -1.928 -11.399 -1.513 224 HB2 LYS 28 2HB LYS 28 0.059 -12.877 -1.065 225 HB3 LYS 28 1HB LYS 28 0.252 -11.759 -2.396 226 HG2 LYS 28 2HG LYS 28 2.327 -11.693 -1.355 227 HG3 LYS 28 1HG LYS 28 1.538 -10.255 -0.730 228 HD2 LYS 28 2HD LYS 28 1.363 -11.146 1.427 229 HD3 LYS 28 1HD LYS 28 1.393 -12.820 0.871 230 HE2 LYS 28 2HE LYS 28 3.778 -10.953 0.806 231 HE3 LYS 28 1HE LYS 28 3.451 -12.106 2.100 232 HZ1 LYS 28 3HZ LYS 28 3.590 -13.912 0.481 233 HZ2 LYS 28 1HZ LYS 28 5.021 -13.010 0.501 234 HZ3 LYS 28 2HZ LYS 28 3.912 -12.807 -0.754 235 H CYS 29 H CYS 29 -0.292 -9.961 1.334 236 HA CYS 29 HA CYS 29 -1.141 -12.013 3.141 237 HB2 CYS 29 2HB CYS 29 0.924 -10.704 3.394 238 HB3 CYS 29 1HB CYS 29 -0.018 -9.230 3.589 239 H GLY 30 H GLY 30 -2.468 -8.950 2.049 240 HA2 GLY 30 2HA GLY 30 -4.579 -8.091 2.199 241 HA3 GLY 30 1HA GLY 30 -5.091 -9.607 2.931 242 H VAL 31 H VAL 31 -2.507 -7.844 4.458 243 HA VAL 31 HA VAL 31 -4.126 -7.320 6.794 244 HB VAL 31 HB VAL 31 -1.872 -8.031 7.257 245 HG11 VAL 31 1HG1 VAL 31 0.132 -6.781 6.614 246 HG12 VAL 31 2HG1 VAL 31 -0.854 -5.632 5.705 247 HG13 VAL 31 3HG1 VAL 31 -0.760 -7.320 5.190 248 HG21 VAL 31 3HG2 VAL 31 -1.044 -6.230 8.734 249 HG22 VAL 31 1HG2 VAL 31 -2.798 -6.400 8.859 250 HG23 VAL 31 2HG2 VAL 31 -2.103 -5.069 7.926 251 HA PRO 32 HA PRO 32 -5.329 -3.148 5.417 252 HB2 PRO 32 2HB PRO 32 -6.258 -2.350 7.951 253 HB3 PRO 32 1HB PRO 32 -7.231 -3.212 6.739 254 HG2 PRO 32 2HG PRO 32 -5.751 -4.326 9.108 255 HG3 PRO 32 1HG PRO 32 -7.369 -4.744 8.496 256 HD2 PRO 32 2HD PRO 32 -5.275 -6.332 7.986 257 HD3 PRO 32 1HD PRO 32 -6.517 -6.055 6.741 258 H LYS 33 H LYS 33 -4.399 -1.180 5.555 259 HA LYS 33 HA LYS 33 -1.745 -0.868 6.290 260 HB2 LYS 33 2HB LYS 33 -2.880 0.526 4.588 261 HB3 LYS 33 1HB LYS 33 -3.844 1.295 5.848 262 HG2 LYS 33 2HG LYS 33 -1.636 2.125 6.860 263 HG3 LYS 33 1HG LYS 33 -0.849 1.543 5.392 264 HD2 LYS 33 2HD LYS 33 -1.253 3.902 5.143 265 HD3 LYS 33 1HD LYS 33 -2.342 3.039 4.056 266 HE2 LYS 33 2HE LYS 33 -4.206 3.357 5.653 267 HE3 LYS 33 1HE LYS 33 -3.112 4.162 6.777 268 HZ1 LYS 33 3HZ LYS 33 -4.373 5.772 5.521 269 HZ2 LYS 33 1HZ LYS 33 -3.805 5.129 4.063 270 HZ3 LYS 33 2HZ LYS 33 -2.732 5.882 5.127 271 H SER 34 H SER 34 -4.675 -0.210 8.109 272 HA SER 34 HA SER 34 -3.808 1.483 10.126 273 HB2 SER 34 2HB SER 34 -6.173 0.864 9.722 274 HB3 SER 34 1HB SER 34 -5.854 -0.774 10.292 275 HG SER 34 HG SER 34 -6.095 -0.078 12.251 276 H GLU 35 H GLU 35 -3.522 -2.039 9.833 277 HA GLU 35 HA GLU 35 -2.241 -2.366 12.449 278 HB2 GLU 35 2HB GLU 35 -2.717 -4.496 10.324 279 HB3 GLU 35 1HB GLU 35 -2.366 -4.744 12.038 280 HG2 GLU 35 2HG GLU 35 -4.552 -3.686 12.589 281 HG3 GLU 35 1HG GLU 35 -4.899 -3.560 10.864 282 H ALA 36 H ALA 36 -1.361 -1.777 9.211 283 HA ALA 36 HA ALA 36 1.334 -2.920 9.364 284 HB1 ALA 36 1HB ALA 36 -0.040 -1.412 7.113 285 HB2 ALA 36 2HB ALA 36 0.079 -3.170 7.262 286 HB3 ALA 36 3HB ALA 36 1.539 -2.199 7.016 287 H GLU 37 H GLU 37 3.029 -1.421 8.294 288 HA GLU 37 HA GLU 37 4.463 0.277 8.360 289 HB2 GLU 37 2HB GLU 37 2.305 1.381 7.307 290 HB3 GLU 37 1HB GLU 37 2.225 2.264 8.824 291 HG2 GLU 37 2HG GLU 37 4.646 2.278 6.988 292 HG3 GLU 37 1HG GLU 37 3.351 3.467 6.901 293 H GLN 38 H GLN 38 4.907 -0.914 10.397 294 HA GLN 38 HA GLN 38 4.368 0.415 12.907 295 HB2 GLN 38 2HB GLN 38 4.637 -2.111 12.570 296 HB3 GLN 38 1HB GLN 38 6.360 -1.825 12.373 297 HG2 GLN 38 2HG GLN 38 4.829 -1.021 14.883 298 HG3 GLN 38 1HG GLN 38 5.562 -2.605 14.692 299 HE21 GLN 38 1HE2 GLN 38 7.871 -2.727 14.578 300 HE22 GLN 38 2HE2 GLN 38 8.866 -1.491 15.257 301 H LYS 39 H LYS 39 5.222 2.410 12.804 302 HA LYS 39 HA LYS 39 8.163 2.735 12.576 303 HB2 LYS 39 2HB LYS 39 6.804 4.164 11.048 304 HB3 LYS 39 1HB LYS 39 5.970 4.855 12.438 305 HG2 LYS 39 2HG LYS 39 8.291 5.635 13.253 306 HG3 LYS 39 1HG LYS 39 8.891 5.176 11.660 307 HD2 LYS 39 2HD LYS 39 6.760 7.261 12.237 308 HD3 LYS 39 1HD LYS 39 8.440 7.593 11.824 309 HE2 LYS 39 2HE LYS 39 7.265 7.944 9.804 310 HE3 LYS 39 1HE LYS 39 7.950 6.335 9.605 311 HZ1 LYS 39 3HZ LYS 39 5.193 6.788 10.579 312 HZ2 LYS 39 1HZ LYS 39 5.860 5.353 9.984 313 HZ3 LYS 39 2HZ LYS 39 5.563 6.646 8.938 314 H LEU 40 H LEU 40 9.274 3.347 14.406 315 HA LEU 40 HA LEU 40 7.943 3.347 16.955 316 HB2 LEU 40 2HB LEU 40 10.837 3.855 16.165 317 HB3 LEU 40 1HB LEU 40 10.291 3.937 17.828 318 HG LEU 40 HG LEU 40 11.330 1.797 17.509 319 HD11 LEU 40 1HD1 LEU 40 8.334 1.379 17.570 320 HD12 LEU 40 2HD1 LEU 40 9.367 1.787 18.944 321 HD13 LEU 40 3HD1 LEU 40 9.570 0.243 18.122 322 HD21 LEU 40 3HD2 LEU 40 11.197 1.616 15.067 323 HD22 LEU 40 1HD2 LEU 40 9.468 1.262 15.172 324 HD23 LEU 40 2HD2 LEU 40 10.650 0.138 15.854 325 HA PRO 41 HA PRO 41 7.226 7.776 17.099 326 HB2 PRO 41 2HB PRO 41 6.411 8.064 19.672 327 HB3 PRO 41 1HB PRO 41 5.454 7.125 18.504 328 HG2 PRO 41 2HG PRO 41 7.313 6.122 20.649 329 HG3 PRO 41 1HG PRO 41 5.725 5.493 20.150 330 HD2 PRO 41 2HD PRO 41 8.161 4.431 19.304 331 HD3 PRO 41 1HD PRO 41 6.622 4.232 18.437 332 H LEU 42 H LEU 42 8.561 9.499 17.252 333 HA LEU 42 HA LEU 42 10.995 9.503 18.778 334 HB2 LEU 42 2HB LEU 42 9.606 11.647 17.116 335 HB3 LEU 42 1HB LEU 42 11.057 11.996 18.035 336 HG LEU 42 HG LEU 42 11.668 11.620 15.719 337 HD11 LEU 42 1HD1 LEU 42 13.257 10.846 17.395 338 HD12 LEU 42 2HD1 LEU 42 13.336 9.876 15.928 339 HD13 LEU 42 3HD1 LEU 42 12.532 9.233 17.364 340 HD21 LEU 42 3HD2 LEU 42 11.266 9.525 14.518 341 HD22 LEU 42 1HD2 LEU 42 9.746 10.275 14.999 342 HD23 LEU 42 2HD2 LEU 42 10.363 8.884 15.896 343 H GLY 43 H GLY 43 10.267 9.114 20.886 344 HA2 GLY 43 2HA GLY 43 8.348 10.882 22.186 345 HA3 GLY 43 1HA GLY 43 9.124 9.460 22.868 Start of MODEL 10 1 H1 GLY 1 H GLY 1 15.152 -2.804 -1.999 2 HA2 GLY 1 1HA GLY 1 17.008 -2.525 0.135 3 HA3 GLY 1 2HA GLY 1 16.515 -0.911 -0.363 4 H HIS 2 H HIS 2 15.940 -3.010 1.963 5 HA HIS 2 HA HIS 2 13.045 -3.142 2.049 6 HB2 HIS 2 2HB HIS 2 14.328 -4.977 3.032 7 HB3 HIS 2 1HB HIS 2 15.202 -3.873 4.086 8 HD1 HIS 2 1HD HIS 2 14.065 -3.137 6.234 9 HD2 HIS 2 2HD HIS 2 11.663 -5.563 3.879 10 HE1 HIS 2 1HE HIS 2 12.167 -3.834 7.716 11 HE2 HIS 2 2HE HIS 2 10.835 -5.456 6.318 12 H MET 3 H MET 3 12.519 -0.913 1.871 13 HA MET 3 HA MET 3 11.894 0.427 4.251 14 HB2 MET 3 2HB MET 3 13.300 2.509 4.001 15 HB3 MET 3 1HB MET 3 14.235 1.086 4.420 16 HG2 MET 3 2HG MET 3 14.968 0.868 2.073 17 HG3 MET 3 1HG MET 3 14.038 2.304 1.653 18 HE1 MET 3 3HE MET 3 17.726 2.419 4.460 19 HE2 MET 3 1HE MET 3 17.091 0.932 3.760 20 HE3 MET 3 2HE MET 3 16.166 1.794 4.992 21 HA PRO 4 HA PRO 4 9.426 2.664 1.085 22 HB2 PRO 4 2HB PRO 4 8.188 4.271 3.185 23 HB3 PRO 4 1HB PRO 4 7.468 2.933 2.274 24 HG2 PRO 4 2HG PRO 4 8.030 2.819 4.970 25 HG3 PRO 4 1HG PRO 4 7.898 1.393 3.917 26 HD2 PRO 4 2HD PRO 4 10.380 2.804 4.880 27 HD3 PRO 4 1HD PRO 4 10.072 1.060 4.704 28 H LYS 5 H LYS 5 10.531 4.148 -0.045 29 HA LYS 5 HA LYS 5 12.432 5.962 1.228 30 HB2 LYS 5 2HB LYS 5 13.197 6.359 -1.141 31 HB3 LYS 5 1HB LYS 5 13.254 4.674 -0.637 32 HG2 LYS 5 2HG LYS 5 11.128 4.253 -1.871 33 HG3 LYS 5 1HG LYS 5 11.128 5.935 -2.414 34 HD2 LYS 5 2HD LYS 5 13.222 5.571 -3.636 35 HD3 LYS 5 1HD LYS 5 13.326 3.916 -3.031 36 HE2 LYS 5 2HE LYS 5 12.511 3.850 -5.308 37 HE3 LYS 5 1HE LYS 5 11.178 3.411 -4.240 38 HZ1 LYS 5 3HZ LYS 5 10.388 4.920 -5.892 39 HZ2 LYS 5 1HZ LYS 5 11.613 6.034 -5.558 40 HZ3 LYS 5 2HZ LYS 5 10.401 5.743 -4.420 41 H ILE 6 H ILE 6 10.203 6.950 2.075 42 HA ILE 6 HA ILE 6 8.718 8.619 2.241 43 HB ILE 6 HB ILE 6 10.611 10.141 0.386 44 HG12 ILE 6 2HG1 ILE 6 11.710 9.370 2.485 45 HG13 ILE 6 1HG1 ILE 6 11.575 11.122 2.441 46 HG21 ILE 6 1HG2 ILE 6 9.588 12.221 1.297 47 HG22 ILE 6 2HG2 ILE 6 8.408 11.241 2.175 48 HG23 ILE 6 3HG2 ILE 6 8.419 11.237 0.412 49 HD11 ILE 6 3HD1 ILE 6 9.806 9.249 4.009 50 HD12 ILE 6 1HD1 ILE 6 9.675 11.011 3.977 51 HD13 ILE 6 2HD1 ILE 6 11.115 10.245 4.640 52 H ASN 7 H ASN 7 7.106 7.406 1.274 53 HA ASN 7 HA ASN 7 5.754 8.644 -0.920 54 HB2 ASN 7 2HB ASN 7 7.469 7.045 -2.041 55 HB3 ASN 7 1HB ASN 7 6.516 5.715 -1.391 56 HD21 ASN 7 1HD2 ASN 7 6.172 5.053 -3.565 57 HD22 ASN 7 2HD2 ASN 7 5.044 5.846 -4.585 58 H GLU 8 H GLU 8 3.599 7.481 -1.313 59 HA GLU 8 HA GLU 8 2.230 6.863 1.081 60 HB2 GLU 8 2HB GLU 8 1.146 7.818 -0.932 61 HB3 GLU 8 1HB GLU 8 1.443 6.330 -1.813 62 HG2 GLU 8 2HG GLU 8 -0.900 6.507 -1.121 63 HG3 GLU 8 1HG GLU 8 -0.115 5.120 -0.366 64 H ASP 9 H ASP 9 4.151 4.846 -1.008 65 HA ASP 9 HA ASP 9 3.403 2.282 -0.293 66 HB2 ASP 9 2HB ASP 9 6.169 3.450 -0.782 67 HB3 ASP 9 1HB ASP 9 5.945 1.743 -0.410 68 H TRP 10 H TRP 10 3.764 0.993 1.352 69 HA TRP 10 HA TRP 10 5.033 1.890 3.834 70 HB2 TRP 10 2HB TRP 10 3.051 0.827 5.068 71 HB3 TRP 10 1HB TRP 10 2.701 2.349 4.249 72 HD1 TRP 10 HD TRP 10 1.080 2.232 2.014 73 HE1 TRP 10 1HE TRP 10 -0.621 0.456 1.294 74 HE3 TRP 10 3HE TRP 10 2.582 -1.689 4.988 75 HZ2 TRP 10 2HZ TRP 10 -1.250 -2.222 1.852 76 HZ3 TRP 10 3HZ TRP 10 1.370 -3.826 4.811 77 HH2 TRP 10 HH TRP 10 -0.509 -4.090 3.267 78 H LEU 11 H LEU 11 5.949 0.193 4.973 79 HA LEU 11 HA LEU 11 6.320 -2.314 3.508 80 HB2 LEU 11 2HB LEU 11 8.175 -0.723 4.735 81 HB3 LEU 11 1HB LEU 11 7.788 -1.752 6.094 82 HG LEU 11 HG LEU 11 9.797 -2.570 4.932 83 HD11 LEU 11 1HD1 LEU 11 7.478 -4.453 4.462 84 HD12 LEU 11 2HD1 LEU 11 8.366 -4.256 5.973 85 HD13 LEU 11 3HD1 LEU 11 9.187 -4.897 4.551 86 HD21 LEU 11 3HD2 LEU 11 8.055 -2.867 2.463 87 HD22 LEU 11 1HD2 LEU 11 9.743 -3.364 2.616 88 HD23 LEU 11 2HD2 LEU 11 9.319 -1.655 2.697 89 H CYS 12 H CYS 12 5.382 -4.192 4.213 90 HA CYS 12 HA CYS 12 3.319 -4.127 6.205 91 HB2 CYS 12 2HB CYS 12 3.017 -5.549 4.239 92 HB3 CYS 12 1HB CYS 12 4.494 -6.433 4.591 93 H ASN 13 H ASN 13 3.166 -5.771 7.845 94 HA ASN 13 HA ASN 13 5.647 -6.205 9.398 95 HB2 ASN 13 2HB ASN 13 4.184 -5.946 11.414 96 HB3 ASN 13 1HB ASN 13 4.252 -4.490 10.429 97 HD21 ASN 13 1HD2 ASN 13 2.265 -4.913 12.302 98 HD22 ASN 13 2HD2 ASN 13 0.740 -5.101 11.516 99 H LYS 14 H LYS 14 2.709 -7.559 8.120 100 HA LYS 14 HA LYS 14 2.888 -10.080 9.555 101 HB2 LYS 14 2HB LYS 14 0.998 -9.102 7.383 102 HB3 LYS 14 1HB LYS 14 0.876 -10.683 8.152 103 HG2 LYS 14 2HG LYS 14 0.682 -8.029 9.625 104 HG3 LYS 14 1HG LYS 14 -0.706 -8.972 9.077 105 HD2 LYS 14 2HD LYS 14 1.388 -9.948 11.072 106 HD3 LYS 14 1HD LYS 14 -0.199 -9.300 11.498 107 HE2 LYS 14 2HE LYS 14 -1.281 -11.143 10.244 108 HE3 LYS 14 1HE LYS 14 0.308 -11.800 9.846 109 HZ1 LYS 14 3HZ LYS 14 0.714 -12.084 12.223 110 HZ2 LYS 14 1HZ LYS 14 -0.639 -12.955 11.711 111 HZ3 LYS 14 2HZ LYS 14 -0.835 -11.512 12.569 112 H CYS 15 H CYS 15 2.852 -9.298 5.944 113 HA CYS 15 HA CYS 15 4.458 -11.729 5.466 114 HB2 CYS 15 2HB CYS 15 4.209 -11.071 3.050 115 HB3 CYS 15 1HB CYS 15 2.675 -11.308 3.880 116 H GLY 16 H GLY 16 4.747 -8.223 5.364 117 HA2 GLY 16 2HA GLY 16 6.656 -6.950 5.775 118 HA3 GLY 16 1HA GLY 16 7.670 -8.369 5.560 119 H VAL 17 H VAL 17 5.195 -7.268 3.275 120 HA VAL 17 HA VAL 17 7.263 -7.022 1.167 121 HB VAL 17 HB VAL 17 5.486 -7.261 -0.476 122 HG11 VAL 17 1HG1 VAL 17 6.385 -9.330 0.478 123 HG12 VAL 17 2HG1 VAL 17 4.687 -9.537 0.040 124 HG13 VAL 17 3HG1 VAL 17 5.144 -9.320 1.735 125 HG21 VAL 17 3HG2 VAL 17 3.699 -5.971 0.590 126 HG22 VAL 17 1HG2 VAL 17 3.499 -7.208 1.833 127 HG23 VAL 17 2HG2 VAL 17 3.100 -7.570 0.149 128 H GLN 18 H GLN 18 6.668 -5.436 -0.608 129 HA GLN 18 HA GLN 18 5.873 -2.777 0.409 130 HB2 GLN 18 2HB GLN 18 8.215 -2.894 -0.326 131 HB3 GLN 18 1HB GLN 18 7.751 -3.616 -1.854 132 HG2 GLN 18 2HG GLN 18 6.696 -0.876 -1.213 133 HG3 GLN 18 1HG GLN 18 8.399 -1.028 -1.634 134 HE21 GLN 18 1HE2 GLN 18 6.382 0.393 -3.125 135 HE22 GLN 18 2HE2 GLN 18 6.278 -0.338 -4.679 136 H ASN 19 H ASN 19 4.088 -1.868 -0.528 137 HA ASN 19 HA ASN 19 2.463 -3.559 -2.314 138 HB2 ASN 19 2HB ASN 19 0.575 -2.377 -1.427 139 HB3 ASN 19 1HB ASN 19 1.635 -2.661 -0.052 140 HD21 ASN 19 1HD2 ASN 19 3.125 -0.825 0.480 141 HD22 ASN 19 2HD2 ASN 19 2.500 0.776 0.318 142 H PHE 20 H PHE 20 0.780 -1.412 -3.340 143 HA PHE 20 HA PHE 20 2.632 -0.204 -5.323 144 HB2 PHE 20 2HB PHE 20 1.091 -2.018 -6.183 145 HB3 PHE 20 1HB PHE 20 -0.281 -1.002 -5.764 146 HD1 PHE 20 2HD PHE 20 2.993 -0.257 -7.477 147 HD2 PHE 20 1HD PHE 20 -1.279 -0.254 -7.764 148 HE1 PHE 20 2HE PHE 20 3.127 0.830 -9.682 149 HE2 PHE 20 1HE PHE 20 -1.130 0.833 -9.964 150 HZ PHE 20 HZ PHE 20 1.069 1.376 -10.925 151 H LYS 21 H LYS 21 2.142 1.076 -2.881 152 HA LYS 21 HA LYS 21 1.438 2.927 -1.761 153 HB2 LYS 21 2HB LYS 21 1.985 5.035 -2.916 154 HB3 LYS 21 1HB LYS 21 3.200 3.811 -3.243 155 HG2 LYS 21 2HG LYS 21 2.489 3.538 -5.494 156 HG3 LYS 21 1HG LYS 21 0.967 4.376 -5.197 157 HD2 LYS 21 2HD LYS 21 2.206 6.501 -4.880 158 HD3 LYS 21 1HD LYS 21 3.724 5.655 -5.182 159 HE2 LYS 21 2HE LYS 21 3.051 6.822 -7.196 160 HE3 LYS 21 1HE LYS 21 2.909 5.086 -7.472 161 HZ1 LYS 21 3HZ LYS 21 0.698 6.969 -6.864 162 HZ2 LYS 21 1HZ LYS 21 0.519 5.294 -7.024 163 HZ3 LYS 21 2HZ LYS 21 1.005 6.220 -8.348 164 H ARG 22 H ARG 22 -0.824 1.524 -2.794 165 HA ARG 22 HA ARG 22 -2.875 3.510 -2.511 166 HB2 ARG 22 2HB ARG 22 -2.442 3.731 -4.954 167 HB3 ARG 22 1HB ARG 22 -2.707 2.007 -5.172 168 HG2 ARG 22 2HG ARG 22 -4.678 3.275 -5.883 169 HG3 ARG 22 1HG ARG 22 -5.073 2.272 -4.486 170 HD2 ARG 22 2HD ARG 22 -4.828 4.275 -3.022 171 HD3 ARG 22 1HD ARG 22 -4.486 5.258 -4.449 172 HE ARG 22 HE ARG 22 -7.062 3.950 -3.812 173 HH11 ARG 22 1HH1 ARG 22 -5.305 6.471 -5.532 174 HH12 ARG 22 2HH1 ARG 22 -6.741 7.248 -6.093 175 HH21 ARG 22 1HH2 ARG 22 -8.927 4.992 -4.575 176 HH22 ARG 22 2HH2 ARG 22 -8.789 6.410 -5.553 177 H ARG 23 H ARG 23 -1.922 0.204 -3.217 178 HA ARG 23 HA ARG 23 -4.034 -1.277 -2.220 179 HB2 ARG 23 2HB ARG 23 -1.050 -1.711 -1.877 180 HB3 ARG 23 1HB ARG 23 -2.266 -2.897 -1.406 181 HG2 ARG 23 2HG ARG 23 -3.036 -3.017 -3.757 182 HG3 ARG 23 1HG ARG 23 -1.775 -1.868 -4.215 183 HD2 ARG 23 2HD ARG 23 -0.058 -3.428 -3.472 184 HD3 ARG 23 1HD ARG 23 -1.303 -4.561 -2.932 185 HE ARG 23 HE ARG 23 -2.010 -4.607 -5.352 186 HH11 ARG 23 1HH1 ARG 23 1.359 -3.993 -4.503 187 HH12 ARG 23 2HH1 ARG 23 1.967 -4.607 -5.999 188 HH21 ARG 23 1HH2 ARG 23 -1.189 -5.466 -7.279 189 HH22 ARG 23 2HH2 ARG 23 0.518 -5.449 -7.577 190 H GLU 24 H GLU 24 -5.138 -0.496 -0.463 191 HA GLU 24 HA GLU 24 -4.014 0.571 1.891 192 HB2 GLU 24 2HB GLU 24 -6.377 0.909 1.381 193 HB3 GLU 24 1HB GLU 24 -6.685 -0.821 1.435 194 HG2 GLU 24 2HG GLU 24 -7.521 0.341 3.448 195 HG3 GLU 24 1HG GLU 24 -6.304 -0.875 3.838 196 H LYS 25 H LYS 25 -5.138 -2.708 1.097 197 HA LYS 25 HA LYS 25 -3.620 -3.833 3.366 198 HB2 LYS 25 2HB LYS 25 -5.545 -5.207 1.456 199 HB3 LYS 25 1HB LYS 25 -4.872 -5.887 2.936 200 HG2 LYS 25 2HG LYS 25 -6.198 -4.476 4.324 201 HG3 LYS 25 1HG LYS 25 -6.634 -3.411 2.983 202 HD2 LYS 25 2HD LYS 25 -7.527 -6.313 3.311 203 HD3 LYS 25 1HD LYS 25 -8.519 -4.887 3.637 204 HE2 LYS 25 2HE LYS 25 -8.408 -4.228 1.278 205 HE3 LYS 25 1HE LYS 25 -7.338 -5.586 0.921 206 HZ1 LYS 25 3HZ LYS 25 -9.113 -7.092 1.522 207 HZ2 LYS 25 1HZ LYS 25 -9.598 -6.060 0.281 208 HZ3 LYS 25 2HZ LYS 25 -10.145 -5.801 1.859 209 H CYS 26 H CYS 26 -2.262 -5.742 2.934 210 HA CYS 26 HA CYS 26 -0.384 -5.442 0.877 211 HB2 CYS 26 2HB CYS 26 -0.984 -7.668 2.828 212 HB3 CYS 26 1HB CYS 26 0.234 -7.895 1.577 213 H PHE 27 H PHE 27 0.185 -7.072 -0.815 214 HA PHE 27 HA PHE 27 -2.136 -7.358 -2.547 215 HB2 PHE 27 2HB PHE 27 -0.605 -7.460 -4.356 216 HB3 PHE 27 1HB PHE 27 0.077 -6.333 -3.212 217 HD1 PHE 27 2HD PHE 27 2.122 -6.935 -1.880 218 HD2 PHE 27 1HD PHE 27 0.616 -9.464 -4.996 219 HE1 PHE 27 2HE PHE 27 4.290 -8.096 -2.014 220 HE2 PHE 27 1HE PHE 27 2.790 -10.598 -5.118 221 HZ PHE 27 HZ PHE 27 4.625 -9.921 -3.624 222 H LYS 28 H LYS 28 -1.156 -9.345 -0.279 223 HA LYS 28 HA LYS 28 -2.024 -11.800 -1.525 224 HB2 LYS 28 2HB LYS 28 0.197 -12.938 -0.629 225 HB3 LYS 28 1HB LYS 28 0.188 -12.174 -2.212 226 HG2 LYS 28 2HG LYS 28 1.538 -10.403 -1.540 227 HG3 LYS 28 1HG LYS 28 1.079 -10.497 0.139 228 HD2 LYS 28 2HD LYS 28 3.422 -11.219 -0.218 229 HD3 LYS 28 1HD LYS 28 2.446 -12.553 0.401 230 HE2 LYS 28 2HE LYS 28 2.252 -13.443 -1.926 231 HE3 LYS 28 1HE LYS 28 3.276 -12.122 -2.493 232 HZ1 LYS 28 3HZ LYS 28 4.095 -14.194 -0.524 233 HZ2 LYS 28 1HZ LYS 28 5.074 -12.958 -1.134 234 HZ3 LYS 28 2HZ LYS 28 4.517 -14.179 -2.160 235 H CYS 29 H CYS 29 -0.355 -10.368 1.302 236 HA CYS 29 HA CYS 29 -1.055 -12.396 3.134 237 HB2 CYS 29 2HB CYS 29 0.913 -10.939 3.327 238 HB3 CYS 29 1HB CYS 29 -0.132 -9.545 3.576 239 H GLY 30 H GLY 30 -2.070 -8.943 3.446 240 HA2 GLY 30 2HA GLY 30 -4.621 -8.742 3.065 241 HA3 GLY 30 1HA GLY 30 -4.716 -9.851 4.420 242 H VAL 31 H VAL 31 -2.208 -8.222 5.525 243 HA VAL 31 HA VAL 31 -3.729 -6.689 7.355 244 HB VAL 31 HB VAL 31 -1.489 -7.595 7.937 245 HG11 VAL 31 1HG1 VAL 31 -0.279 -7.133 5.858 246 HG12 VAL 31 2HG1 VAL 31 0.580 -6.457 7.243 247 HG13 VAL 31 3HG1 VAL 31 -0.349 -5.397 6.179 248 HG21 VAL 31 3HG2 VAL 31 -0.691 -5.668 9.280 249 HG22 VAL 31 1HG2 VAL 31 -2.449 -5.820 9.339 250 HG23 VAL 31 2HG2 VAL 31 -1.706 -4.583 8.325 251 HA PRO 32 HA PRO 32 -4.085 -2.870 4.918 252 HB2 PRO 32 2HB PRO 32 -5.391 -1.328 6.740 253 HB3 PRO 32 1HB PRO 32 -6.206 -2.666 5.908 254 HG2 PRO 32 2HG PRO 32 -4.987 -2.634 8.659 255 HG3 PRO 32 1HG PRO 32 -6.576 -3.255 8.147 256 HD2 PRO 32 2HD PRO 32 -4.431 -4.895 8.493 257 HD3 PRO 32 1HD PRO 32 -5.681 -5.227 7.272 258 H LYS 33 H LYS 33 -3.303 -0.713 5.010 259 HA LYS 33 HA LYS 33 -0.743 -0.270 6.122 260 HB2 LYS 33 2HB LYS 33 -1.543 0.889 4.064 261 HB3 LYS 33 1HB LYS 33 -2.749 1.755 5.015 262 HG2 LYS 33 2HG LYS 33 -0.789 2.745 6.344 263 HG3 LYS 33 1HG LYS 33 0.269 2.061 5.112 264 HD2 LYS 33 2HD LYS 33 -0.134 4.398 4.603 265 HD3 LYS 33 1HD LYS 33 -0.940 3.406 3.384 266 HE2 LYS 33 2HE LYS 33 -3.100 3.738 4.520 267 HE3 LYS 33 1HE LYS 33 -2.298 4.653 5.797 268 HZ1 LYS 33 3HZ LYS 33 -3.401 6.050 4.102 269 HZ2 LYS 33 1HZ LYS 33 -2.315 5.466 2.944 270 HZ3 LYS 33 2HZ LYS 33 -1.746 6.368 4.252 271 H SER 34 H SER 34 -3.982 0.613 7.047 272 HA SER 34 HA SER 34 -3.564 2.426 9.127 273 HB2 SER 34 2HB SER 34 -5.920 1.695 9.792 274 HB3 SER 34 1HB SER 34 -5.740 2.199 8.112 275 HG SER 34 HG SER 34 -5.848 0.132 7.453 276 H GLU 35 H GLU 35 -2.864 -0.944 9.078 277 HA GLU 35 HA GLU 35 -2.464 -0.940 12.018 278 HB2 GLU 35 2HB GLU 35 -4.381 -2.405 11.281 279 HB3 GLU 35 1HB GLU 35 -3.259 -3.343 10.305 280 HG2 GLU 35 2HG GLU 35 -3.825 -4.453 12.446 281 HG3 GLU 35 1HG GLU 35 -2.096 -4.129 12.302 282 H ALA 36 H ALA 36 -1.032 -1.268 8.920 283 HA ALA 36 HA ALA 36 1.280 -2.837 9.660 284 HB1 ALA 36 1HB ALA 36 0.861 -1.028 7.254 285 HB2 ALA 36 2HB ALA 36 0.486 -2.753 7.328 286 HB3 ALA 36 3HB ALA 36 2.161 -2.209 7.458 287 H GLU 37 H GLU 37 0.514 0.593 9.370 288 HA GLU 37 HA GLU 37 3.092 1.639 10.105 289 HB2 GLU 37 2HB GLU 37 0.325 2.924 10.253 290 HB3 GLU 37 1HB GLU 37 1.848 3.787 10.440 291 HG2 GLU 37 2HG GLU 37 2.408 3.350 8.095 292 HG3 GLU 37 1HG GLU 37 0.934 2.397 7.897 293 H GLN 38 H GLN 38 3.648 2.558 12.183 294 HA GLN 38 HA GLN 38 2.481 1.388 14.555 295 HB2 GLN 38 2HB GLN 38 4.541 3.634 14.262 296 HB3 GLN 38 1HB GLN 38 4.110 2.855 15.781 297 HG2 GLN 38 2HG GLN 38 5.449 1.508 13.411 298 HG3 GLN 38 1HG GLN 38 6.241 2.011 14.904 299 HE21 GLN 38 1HE2 GLN 38 5.871 0.814 16.813 300 HE22 GLN 38 2HE2 GLN 38 5.192 -0.774 16.773 301 H LYS 39 H LYS 39 0.423 2.052 14.994 302 HA LYS 39 HA LYS 39 -0.414 4.800 14.462 303 HB2 LYS 39 2HB LYS 39 -2.002 2.383 15.406 304 HB3 LYS 39 1HB LYS 39 -2.704 3.959 15.073 305 HG2 LYS 39 2HG LYS 39 -1.260 2.298 12.979 306 HG3 LYS 39 1HG LYS 39 -2.990 2.202 13.275 307 HD2 LYS 39 2HD LYS 39 -2.804 3.624 11.403 308 HD3 LYS 39 1HD LYS 39 -3.069 4.736 12.744 309 HE2 LYS 39 2HE LYS 39 -0.739 5.378 12.749 310 HE3 LYS 39 1HE LYS 39 -0.325 4.074 11.642 311 HZ1 LYS 39 3HZ LYS 39 -0.407 6.223 10.539 312 HZ2 LYS 39 1HZ LYS 39 -2.035 6.406 10.954 313 HZ3 LYS 39 2HZ LYS 39 -1.563 5.168 9.901 314 H LEU 40 H LEU 40 -1.470 6.088 15.951 315 HA LEU 40 HA LEU 40 -0.040 6.369 18.427 316 HB2 LEU 40 2HB LEU 40 -2.252 8.022 17.118 317 HB3 LEU 40 1HB LEU 40 -1.434 8.489 18.599 318 HG LEU 40 HG LEU 40 0.749 8.556 17.276 319 HD11 LEU 40 1HD1 LEU 40 0.662 8.796 14.830 320 HD12 LEU 40 2HD1 LEU 40 -1.048 8.349 14.850 321 HD13 LEU 40 3HD1 LEU 40 0.178 7.187 15.361 322 HD21 LEU 40 3HD2 LEU 40 0.344 10.766 16.332 323 HD22 LEU 40 1HD2 LEU 40 -0.471 10.590 17.883 324 HD23 LEU 40 2HD2 LEU 40 -1.401 10.494 16.385 325 HA PRO 41 HA PRO 41 -2.934 4.727 21.578 326 HB2 PRO 41 2HB PRO 41 -3.125 7.620 22.498 327 HB3 PRO 41 1HB PRO 41 -2.920 6.144 23.470 328 HG2 PRO 41 2HG PRO 41 -0.825 7.676 22.986 329 HG3 PRO 41 1HG PRO 41 -0.664 5.906 22.894 330 HD2 PRO 41 2HD PRO 41 -0.790 7.904 20.660 331 HD3 PRO 41 1HD PRO 41 0.099 6.368 20.756 332 H LEU 42 H LEU 42 -4.977 4.156 21.142 333 HA LEU 42 HA LEU 42 -7.139 4.079 20.514 334 HB2 LEU 42 2HB LEU 42 -7.150 7.076 21.073 335 HB3 LEU 42 1HB LEU 42 -8.589 6.089 20.850 336 HG LEU 42 HG LEU 42 -6.597 5.819 23.145 337 HD11 LEU 42 1HD1 LEU 42 -7.909 7.867 23.336 338 HD12 LEU 42 2HD1 LEU 42 -8.365 6.707 24.580 339 HD13 LEU 42 3HD1 LEU 42 -9.411 6.947 23.176 340 HD21 LEU 42 3HD2 LEU 42 -8.215 4.240 24.122 341 HD22 LEU 42 1HD2 LEU 42 -7.571 3.653 22.592 342 HD23 LEU 42 2HD2 LEU 42 -9.201 4.332 22.660 343 H GLY 43 H GLY 43 -8.782 5.798 18.973 344 HA2 GLY 43 2HA GLY 43 -7.697 7.098 16.786 345 HA3 GLY 43 1HA GLY 43 -7.755 5.398 16.328 Start of MODEL 11 1 H1 GLY 1 H GLY 1 6.045 -8.261 -7.797 2 HA2 GLY 1 1HA GLY 1 3.706 -6.670 -7.644 3 HA3 GLY 1 2HA GLY 1 5.010 -5.781 -6.864 4 H HIS 2 H HIS 2 3.423 -5.986 -9.672 5 HA HIS 2 HA HIS 2 5.393 -6.302 -11.694 6 HB2 HIS 2 2HB HIS 2 2.634 -5.009 -11.734 7 HB3 HIS 2 1HB HIS 2 3.653 -5.044 -13.166 8 HD1 HIS 2 1HD HIS 2 3.376 -7.025 -14.625 9 HD2 HIS 2 2HD HIS 2 2.076 -7.760 -10.750 10 HE1 HIS 2 1HE HIS 2 2.365 -9.324 -14.674 11 HE2 HIS 2 2HE HIS 2 1.398 -9.631 -12.377 12 H MET 3 H MET 3 4.059 -3.422 -10.099 13 HA MET 3 HA MET 3 6.249 -1.722 -11.165 14 HB2 MET 3 2HB MET 3 3.326 -0.879 -10.772 15 HB3 MET 3 1HB MET 3 4.641 0.178 -11.287 16 HG2 MET 3 2HG MET 3 4.894 -1.065 -13.353 17 HG3 MET 3 1HG MET 3 3.680 -2.243 -12.846 18 HE1 MET 3 3HE MET 3 2.383 -1.874 -15.179 19 HE2 MET 3 1HE MET 3 3.597 -0.691 -15.677 20 HE3 MET 3 2HE MET 3 1.882 -0.286 -15.759 21 HA PRO 4 HA PRO 4 6.404 -1.524 -6.481 22 HB2 PRO 4 2HB PRO 4 9.346 -1.353 -6.957 23 HB3 PRO 4 1HB PRO 4 8.452 -2.507 -5.950 24 HG2 PRO 4 2HG PRO 4 9.630 -3.289 -8.226 25 HG3 PRO 4 1HG PRO 4 8.069 -3.967 -7.705 26 HD2 PRO 4 2HD PRO 4 8.568 -1.785 -9.746 27 HD3 PRO 4 1HD PRO 4 7.510 -3.212 -9.879 28 H LYS 5 H LYS 5 5.949 0.520 -5.752 29 HA LYS 5 HA LYS 5 7.525 2.808 -6.779 30 HB2 LYS 5 2HB LYS 5 4.490 2.728 -6.556 31 HB3 LYS 5 1HB LYS 5 5.428 4.200 -6.828 32 HG2 LYS 5 2HG LYS 5 6.385 3.046 -8.893 33 HG3 LYS 5 1HG LYS 5 5.154 1.798 -8.665 34 HD2 LYS 5 2HD LYS 5 3.379 3.465 -8.989 35 HD3 LYS 5 1HD LYS 5 4.571 4.768 -9.089 36 HE2 LYS 5 2HE LYS 5 5.526 3.671 -11.125 37 HE3 LYS 5 1HE LYS 5 4.252 2.454 -11.034 38 HZ1 LYS 5 3HZ LYS 5 3.752 4.192 -12.623 39 HZ2 LYS 5 1HZ LYS 5 3.820 5.363 -11.407 40 HZ3 LYS 5 2HZ LYS 5 2.622 4.170 -11.370 41 H ILE 6 H ILE 6 8.727 2.921 -5.003 42 HA ILE 6 HA ILE 6 7.681 3.256 -2.338 43 HB ILE 6 HB ILE 6 10.492 3.832 -3.424 44 HG12 ILE 6 2HG1 ILE 6 11.101 1.733 -2.033 45 HG13 ILE 6 1HG1 ILE 6 9.375 1.406 -1.926 46 HG21 ILE 6 1HG2 ILE 6 11.227 3.923 -1.053 47 HG22 ILE 6 2HG2 ILE 6 9.546 3.769 -0.527 48 HG23 ILE 6 3HG2 ILE 6 10.067 5.194 -1.431 49 HD11 ILE 6 3HD1 ILE 6 11.024 1.511 -4.451 50 HD12 ILE 6 1HD1 ILE 6 9.288 1.190 -4.364 51 HD13 ILE 6 2HD1 ILE 6 10.429 0.067 -3.629 52 H ASN 7 H ASN 7 6.543 5.033 -1.867 53 HA ASN 7 HA ASN 7 7.574 7.692 -2.096 54 HB2 ASN 7 2HB ASN 7 6.749 7.422 -4.449 55 HB3 ASN 7 1HB ASN 7 5.138 7.056 -3.842 56 HD21 ASN 7 1HD2 ASN 7 7.315 9.609 -2.632 57 HD22 ASN 7 2HD2 ASN 7 6.305 10.923 -3.109 58 H GLU 8 H GLU 8 4.342 6.139 -2.032 59 HA GLU 8 HA GLU 8 3.851 7.276 0.672 60 HB2 GLU 8 2HB GLU 8 2.614 8.497 -1.196 61 HB3 GLU 8 1HB GLU 8 1.760 7.002 -1.541 62 HG2 GLU 8 2HG GLU 8 0.347 8.483 -0.208 63 HG3 GLU 8 1HG GLU 8 0.745 7.035 0.707 64 H ASP 9 H ASP 9 4.653 4.583 -0.668 65 HA ASP 9 HA ASP 9 2.747 2.628 -0.019 66 HB2 ASP 9 2HB ASP 9 4.566 1.080 -0.375 67 HB3 ASP 9 1HB ASP 9 4.742 2.363 -1.547 68 H TRP 10 H TRP 10 3.558 0.825 1.564 69 HA TRP 10 HA TRP 10 4.533 1.801 4.121 70 HB2 TRP 10 2HB TRP 10 2.468 0.785 5.290 71 HB3 TRP 10 1HB TRP 10 2.245 2.341 4.503 72 HD1 TRP 10 HD TRP 10 0.722 2.403 2.250 73 HE1 TRP 10 1HE TRP 10 -1.050 0.782 1.363 74 HE3 TRP 10 3HE TRP 10 1.850 -1.702 5.089 75 HZ2 TRP 10 2HZ TRP 10 -1.877 -1.878 1.794 76 HZ3 TRP 10 3HZ TRP 10 0.521 -3.746 4.779 77 HH2 TRP 10 HH TRP 10 -1.300 -3.841 3.160 78 H LEU 11 H LEU 11 5.103 0.104 5.519 79 HA LEU 11 HA LEU 11 5.896 -2.320 4.064 80 HB2 LEU 11 2HB LEU 11 7.470 -0.547 5.430 81 HB3 LEU 11 1HB LEU 11 7.078 -1.611 6.762 82 HG LEU 11 HG LEU 11 9.262 -2.154 5.686 83 HD11 LEU 11 1HD1 LEU 11 8.083 -3.945 6.844 84 HD12 LEU 11 2HD1 LEU 11 8.987 -4.557 5.460 85 HD13 LEU 11 3HD1 LEU 11 7.235 -4.367 5.350 86 HD21 LEU 11 3HD2 LEU 11 7.622 -2.839 3.222 87 HD22 LEU 11 1HD2 LEU 11 9.357 -3.099 3.425 88 HD23 LEU 11 2HD2 LEU 11 8.713 -1.460 3.387 89 H CYS 12 H CYS 12 4.851 -4.150 4.500 90 HA CYS 12 HA CYS 12 2.713 -4.398 6.305 91 HB2 CYS 12 2HB CYS 12 2.731 -5.839 4.366 92 HB3 CYS 12 1HB CYS 12 4.292 -6.515 4.799 93 H ASN 13 H ASN 13 2.487 -5.791 8.119 94 HA ASN 13 HA ASN 13 4.802 -5.916 9.911 95 HB2 ASN 13 2HB ASN 13 3.035 -6.420 11.664 96 HB3 ASN 13 1HB ASN 13 2.883 -4.862 10.865 97 HD21 ASN 13 1HD2 ASN 13 0.712 -4.752 11.537 98 HD22 ASN 13 2HD2 ASN 13 -0.539 -5.651 10.755 99 H LYS 14 H LYS 14 2.625 -8.016 8.164 100 HA LYS 14 HA LYS 14 3.595 -10.441 9.487 101 HB2 LYS 14 2HB LYS 14 1.297 -9.949 7.575 102 HB3 LYS 14 1HB LYS 14 1.813 -11.573 8.027 103 HG2 LYS 14 2HG LYS 14 1.385 -11.047 10.405 104 HG3 LYS 14 1HG LYS 14 0.837 -9.432 9.961 105 HD2 LYS 14 2HD LYS 14 -0.494 -12.003 9.001 106 HD3 LYS 14 1HD LYS 14 -0.983 -11.144 10.462 107 HE2 LYS 14 2HE LYS 14 -2.503 -10.486 8.717 108 HE3 LYS 14 1HE LYS 14 -1.447 -9.111 9.011 109 HZ1 LYS 14 3HZ LYS 14 -1.867 -9.583 6.644 110 HZ2 LYS 14 1HZ LYS 14 -1.066 -11.062 6.813 111 HZ3 LYS 14 2HZ LYS 14 -0.223 -9.614 7.041 112 H CYS 15 H CYS 15 3.053 -9.611 5.913 113 HA CYS 15 HA CYS 15 5.039 -11.571 5.153 114 HB2 CYS 15 2HB CYS 15 4.656 -10.757 2.866 115 HB3 CYS 15 1HB CYS 15 3.132 -11.051 3.693 116 H GLY 16 H GLY 16 4.932 -8.088 5.553 117 HA2 GLY 16 2HA GLY 16 6.567 -6.523 5.885 118 HA3 GLY 16 1HA GLY 16 7.764 -7.812 5.922 119 H VAL 17 H VAL 17 5.518 -6.360 3.529 120 HA VAL 17 HA VAL 17 7.755 -6.223 1.567 121 HB VAL 17 HB VAL 17 6.256 -6.725 -0.274 122 HG11 VAL 17 1HG1 VAL 17 5.887 -8.767 1.944 123 HG12 VAL 17 2HG1 VAL 17 7.279 -8.636 0.866 124 HG13 VAL 17 3HG1 VAL 17 5.699 -9.074 0.214 125 HG21 VAL 17 3HG2 VAL 17 3.860 -7.343 0.064 126 HG22 VAL 17 1HG2 VAL 17 4.178 -5.668 0.517 127 HG23 VAL 17 2HG2 VAL 17 3.991 -6.899 1.767 128 H GLN 18 H GLN 18 7.566 -4.594 -0.060 129 HA GLN 18 HA GLN 18 6.162 -2.135 0.664 130 HB2 GLN 18 2HB GLN 18 8.505 -1.905 0.059 131 HB3 GLN 18 1HB GLN 18 8.294 -2.856 -1.399 132 HG2 GLN 18 2HG GLN 18 6.823 -0.236 -1.118 133 HG3 GLN 18 1HG GLN 18 8.536 -0.231 -1.534 134 HE21 GLN 18 1HE2 GLN 18 8.303 -2.731 -3.131 135 HE22 GLN 18 2HE2 GLN 18 7.513 -2.274 -4.588 136 H ASN 19 H ASN 19 4.217 -1.741 -0.218 137 HA ASN 19 HA ASN 19 3.212 -3.409 -2.440 138 HB2 ASN 19 2HB ASN 19 0.978 -2.778 -1.701 139 HB3 ASN 19 1HB ASN 19 1.900 -3.337 -0.305 140 HD21 ASN 19 1HD2 ASN 19 2.815 -1.693 1.080 141 HD22 ASN 19 2HD2 ASN 19 1.995 -0.190 1.262 142 H PHE 20 H PHE 20 1.393 -2.056 -3.687 143 HA PHE 20 HA PHE 20 2.806 0.005 -5.143 144 HB2 PHE 20 2HB PHE 20 1.583 -1.802 -6.320 145 HB3 PHE 20 1HB PHE 20 0.066 -1.279 -5.607 146 HD1 PHE 20 1HD PHE 20 2.884 0.128 -7.660 147 HD2 PHE 20 2HD PHE 20 -1.331 0.106 -6.936 148 HE1 PHE 20 1HE PHE 20 2.531 1.632 -9.574 149 HE2 PHE 20 2HE PHE 20 -1.666 1.600 -8.849 150 HZ PHE 20 HZ PHE 20 0.260 2.364 -10.171 151 H LYS 21 H LYS 21 2.303 0.921 -2.580 152 HA LYS 21 HA LYS 21 1.536 2.468 -1.206 153 HB2 LYS 21 2HB LYS 21 1.370 4.732 -2.044 154 HB3 LYS 21 1HB LYS 21 2.683 3.885 -2.824 155 HG2 LYS 21 2HG LYS 21 1.697 3.944 -4.925 156 HG3 LYS 21 1HG LYS 21 0.065 4.005 -4.288 157 HD2 LYS 21 2HD LYS 21 0.577 6.094 -5.361 158 HD3 LYS 21 1HD LYS 21 0.422 6.358 -3.623 159 HE2 LYS 21 2HE LYS 21 2.878 6.434 -3.409 160 HE3 LYS 21 1HE LYS 21 3.043 6.105 -5.140 161 HZ1 LYS 21 3HZ LYS 21 1.864 8.162 -5.601 162 HZ2 LYS 21 1HZ LYS 21 3.249 8.458 -4.675 163 HZ3 LYS 21 2HZ LYS 21 1.723 8.479 -3.949 164 H ARG 22 H ARG 22 -0.884 2.701 -3.849 165 HA ARG 22 HA ARG 22 -2.962 3.710 -2.212 166 HB2 ARG 22 2HB ARG 22 -2.832 2.751 -5.076 167 HB3 ARG 22 1HB ARG 22 -4.336 3.305 -4.363 168 HG2 ARG 22 2HG ARG 22 -1.813 4.915 -4.854 169 HG3 ARG 22 1HG ARG 22 -3.394 5.123 -5.621 170 HD2 ARG 22 2HD ARG 22 -2.658 5.688 -2.723 171 HD3 ARG 22 1HD ARG 22 -3.082 6.876 -3.955 172 HE ARG 22 HE ARG 22 -5.351 5.784 -3.962 173 HH11 ARG 22 1HH1 ARG 22 -3.341 5.668 -1.062 174 HH12 ARG 22 2HH1 ARG 22 -4.696 5.501 0.005 175 HH21 ARG 22 1HH2 ARG 22 -7.093 5.479 -2.545 176 HH22 ARG 22 2HH2 ARG 22 -6.825 5.394 -0.834 177 H ARG 23 H ARG 23 -1.791 0.626 -2.340 178 HA ARG 23 HA ARG 23 -4.252 -0.805 -2.033 179 HB2 ARG 23 2HB ARG 23 -1.349 -1.418 -1.421 180 HB3 ARG 23 1HB ARG 23 -2.602 -2.453 -0.758 181 HG2 ARG 23 2HG ARG 23 -1.764 -3.425 -2.819 182 HG3 ARG 23 1HG ARG 23 -3.442 -2.921 -3.008 183 HD2 ARG 23 2HD ARG 23 -2.588 -0.797 -4.094 184 HD3 ARG 23 1HD ARG 23 -0.986 -1.543 -4.101 185 HE ARG 23 HE ARG 23 -2.130 -3.404 -5.425 186 HH11 ARG 23 1HH1 ARG 23 -3.217 -0.061 -5.624 187 HH12 ARG 23 2HH1 ARG 23 -3.840 -0.238 -7.224 188 HH21 ARG 23 1HH2 ARG 23 -2.928 -3.606 -7.515 189 HH22 ARG 23 2HH2 ARG 23 -3.678 -2.257 -8.305 190 H GLU 24 H GLU 24 -5.627 -0.436 -0.404 191 HA GLU 24 HA GLU 24 -5.047 0.652 2.153 192 HB2 GLU 24 2HB GLU 24 -7.326 0.653 1.292 193 HB3 GLU 24 1HB GLU 24 -7.333 -1.105 1.176 194 HG2 GLU 24 2HG GLU 24 -7.136 -1.213 3.678 195 HG3 GLU 24 1HG GLU 24 -7.254 0.550 3.723 196 H LYS 25 H LYS 25 -5.365 -2.634 0.905 197 HA LYS 25 HA LYS 25 -3.984 -3.766 3.257 198 HB2 LYS 25 2HB LYS 25 -6.113 -5.066 1.509 199 HB3 LYS 25 1HB LYS 25 -5.266 -5.859 2.837 200 HG2 LYS 25 2HG LYS 25 -6.335 -4.424 4.461 201 HG3 LYS 25 1HG LYS 25 -7.043 -3.415 3.197 202 HD2 LYS 25 2HD LYS 25 -8.701 -4.971 4.186 203 HD3 LYS 25 1HD LYS 25 -8.467 -5.246 2.457 204 HE2 LYS 25 2HE LYS 25 -6.949 -7.175 3.027 205 HE3 LYS 25 1HE LYS 25 -7.333 -6.924 4.732 206 HZ1 LYS 25 3HZ LYS 25 -9.319 -7.518 2.616 207 HZ2 LYS 25 1HZ LYS 25 -9.626 -7.404 4.274 208 HZ3 LYS 25 2HZ LYS 25 -8.676 -8.669 3.674 209 H CYS 26 H CYS 26 -2.462 -5.385 2.844 210 HA CYS 26 HA CYS 26 -0.834 -5.168 0.604 211 HB2 CYS 26 2HB CYS 26 -1.015 -7.211 2.822 212 HB3 CYS 26 1HB CYS 26 0.031 -7.529 1.449 213 H PHE 27 H PHE 27 -0.522 -6.336 -1.190 214 HA PHE 27 HA PHE 27 -2.835 -7.250 -2.550 215 HB2 PHE 27 2HB PHE 27 -1.275 -7.524 -4.513 216 HB3 PHE 27 1HB PHE 27 -1.203 -5.941 -3.763 217 HD1 PHE 27 1HD PHE 27 0.812 -5.249 -2.448 218 HD2 PHE 27 2HD PHE 27 0.686 -9.015 -4.500 219 HE1 PHE 27 1HE PHE 27 3.252 -5.450 -2.250 220 HE2 PHE 27 2HE PHE 27 3.126 -9.196 -4.282 221 HZ PHE 27 HZ PHE 27 4.411 -7.423 -3.160 222 H LYS 28 H LYS 28 -1.042 -9.054 -0.411 223 HA LYS 28 HA LYS 28 -2.214 -11.500 -1.412 224 HB2 LYS 28 2HB LYS 28 0.070 -12.752 -1.209 225 HB3 LYS 28 1HB LYS 28 -0.240 -11.812 -2.652 226 HG2 LYS 28 2HG LYS 28 2.020 -11.403 -2.067 227 HG3 LYS 28 1HG LYS 28 1.131 -9.936 -1.677 228 HD2 LYS 28 2HD LYS 28 1.190 -10.555 0.703 229 HD3 LYS 28 1HD LYS 28 2.018 -12.065 0.308 230 HE2 LYS 28 2HE LYS 28 3.110 -9.282 -0.208 231 HE3 LYS 28 1HE LYS 28 3.555 -10.316 1.140 232 HZ1 LYS 28 3HZ LYS 28 4.427 -11.941 -0.400 233 HZ2 LYS 28 1HZ LYS 28 5.175 -10.440 -0.632 234 HZ3 LYS 28 2HZ LYS 28 4.001 -10.972 -1.716 235 H CYS 29 H CYS 29 -0.437 -9.814 1.140 236 HA CYS 29 HA CYS 29 -0.806 -11.956 3.065 237 HB2 CYS 29 2HB CYS 29 1.273 -10.685 2.843 238 HB3 CYS 29 1HB CYS 29 0.418 -9.191 3.228 239 H GLY 30 H GLY 30 -2.392 -9.017 2.144 240 HA2 GLY 30 2HA GLY 30 -4.468 -8.248 2.595 241 HA3 GLY 30 1HA GLY 30 -4.782 -9.771 3.406 242 H VAL 31 H VAL 31 -2.231 -7.666 4.575 243 HA VAL 31 HA VAL 31 -3.816 -6.997 6.951 244 HB VAL 31 HB VAL 31 -1.500 -7.740 7.366 245 HG11 VAL 31 1HG1 VAL 31 -0.403 -7.026 5.297 246 HG12 VAL 31 2HG1 VAL 31 0.465 -6.401 6.702 247 HG13 VAL 31 3HG1 VAL 31 -0.581 -5.329 5.766 248 HG21 VAL 31 3HG2 VAL 31 -1.861 -4.791 8.020 249 HG22 VAL 31 1HG2 VAL 31 -0.744 -5.894 8.831 250 HG23 VAL 31 2HG2 VAL 31 -2.484 -6.147 8.962 251 HA PRO 32 HA PRO 32 -4.664 -2.881 5.195 252 HB2 PRO 32 2HB PRO 32 -5.654 -1.688 7.495 253 HB3 PRO 32 1HB PRO 32 -6.627 -2.762 6.456 254 HG2 PRO 32 2HG PRO 32 -5.162 -3.434 9.007 255 HG3 PRO 32 1HG PRO 32 -6.807 -3.894 8.496 256 HD2 PRO 32 2HD PRO 32 -4.739 -5.618 8.252 257 HD3 PRO 32 1HD PRO 32 -6.044 -5.572 7.048 258 H LYS 33 H LYS 33 -3.677 -0.917 5.277 259 HA LYS 33 HA LYS 33 -1.047 -0.546 6.019 260 HB2 LYS 33 2HB LYS 33 -2.181 0.787 4.317 261 HB3 LYS 33 1HB LYS 33 -3.275 1.465 5.521 262 HG2 LYS 33 2HG LYS 33 -0.968 2.366 6.576 263 HG3 LYS 33 1HG LYS 33 -0.397 2.149 4.922 264 HD2 LYS 33 2HD LYS 33 -1.134 4.431 5.204 265 HD3 LYS 33 1HD LYS 33 -2.274 3.606 4.132 266 HE2 LYS 33 2HE LYS 33 -3.574 4.905 5.721 267 HE3 LYS 33 1HE LYS 33 -3.767 3.218 6.152 268 HZ1 LYS 33 3HZ LYS 33 -2.052 3.518 7.849 269 HZ2 LYS 33 1HZ LYS 33 -3.385 4.530 8.090 270 HZ3 LYS 33 2HZ LYS 33 -1.955 5.158 7.460 271 H SER 34 H SER 34 -4.029 0.262 7.668 272 HA SER 34 HA SER 34 -3.200 2.028 9.646 273 HB2 SER 34 2HB SER 34 -5.576 1.573 9.002 274 HB3 SER 34 1HB SER 34 -5.464 -0.017 9.732 275 HG SER 34 HG SER 34 -4.780 1.448 11.678 276 H GLU 35 H GLU 35 -2.862 -1.503 9.532 277 HA GLU 35 HA GLU 35 -1.973 -1.595 12.369 278 HB2 GLU 35 2HB GLU 35 -2.622 -3.916 10.505 279 HB3 GLU 35 1HB GLU 35 -2.198 -4.036 12.218 280 HG2 GLU 35 2HG GLU 35 -4.265 -2.712 12.740 281 HG3 GLU 35 1HG GLU 35 -4.716 -2.810 11.032 282 H ALA 36 H ALA 36 -0.788 -1.698 9.124 283 HA ALA 36 HA ALA 36 1.504 -3.389 9.593 284 HB1 ALA 36 1HB ALA 36 2.099 -2.838 7.282 285 HB2 ALA 36 2HB ALA 36 0.842 -1.598 7.251 286 HB3 ALA 36 3HB ALA 36 0.399 -3.302 7.406 287 H GLU 37 H GLU 37 1.119 0.089 8.798 288 HA GLU 37 HA GLU 37 3.744 0.684 9.977 289 HB2 GLU 37 2HB GLU 37 3.302 3.048 9.156 290 HB3 GLU 37 1HB GLU 37 3.444 1.833 7.904 291 HG2 GLU 37 2HG GLU 37 1.688 3.231 7.187 292 HG3 GLU 37 1HG GLU 37 0.902 1.781 7.807 293 H GLN 38 H GLN 38 3.959 2.247 11.652 294 HA GLN 38 HA GLN 38 1.736 2.172 13.601 295 HB2 GLN 38 2HB GLN 38 4.745 2.474 14.077 296 HB3 GLN 38 1HB GLN 38 3.518 2.469 15.337 297 HG2 GLN 38 2HG GLN 38 4.496 0.295 15.351 298 HG3 GLN 38 1HG GLN 38 2.907 0.121 14.615 299 HE21 GLN 38 1HE2 GLN 38 3.438 -1.784 13.520 300 HE22 GLN 38 2HE2 GLN 38 4.514 -1.822 12.170 301 H LYS 39 H LYS 39 0.673 4.072 13.857 302 HA LYS 39 HA LYS 39 1.792 6.678 13.285 303 HB2 LYS 39 2HB LYS 39 -0.697 5.858 14.862 304 HB3 LYS 39 1HB LYS 39 -0.272 7.524 14.469 305 HG2 LYS 39 2HG LYS 39 -0.521 7.083 12.093 306 HG3 LYS 39 1HG LYS 39 -0.791 5.367 12.406 307 HD2 LYS 39 2HD LYS 39 -2.611 7.620 13.349 308 HD3 LYS 39 1HD LYS 39 -2.894 6.632 11.912 309 HE2 LYS 39 2HE LYS 39 -3.065 4.616 13.336 310 HE3 LYS 39 1HE LYS 39 -2.755 5.596 14.771 311 HZ1 LYS 39 3HZ LYS 39 -4.765 6.856 14.246 312 HZ2 LYS 39 1HZ LYS 39 -5.072 5.223 14.549 313 HZ3 LYS 39 2HZ LYS 39 -5.092 5.807 12.963 314 H LEU 40 H LEU 40 3.732 6.676 14.452 315 HA LEU 40 HA LEU 40 5.229 6.923 16.097 316 HB2 LEU 40 2HB LEU 40 2.784 7.897 17.577 317 HB3 LEU 40 1HB LEU 40 4.315 7.752 18.419 318 HG LEU 40 HG LEU 40 5.329 9.367 16.740 319 HD11 LEU 40 1HD1 LEU 40 3.866 10.763 15.360 320 HD12 LEU 40 2HD1 LEU 40 2.470 9.784 15.824 321 HD13 LEU 40 3HD1 LEU 40 3.777 9.071 14.876 322 HD21 LEU 40 3HD2 LEU 40 4.619 10.131 18.941 323 HD22 LEU 40 1HD2 LEU 40 2.980 10.412 18.346 324 HD23 LEU 40 2HD2 LEU 40 4.327 11.383 17.735 325 HA PRO 41 HA PRO 41 5.495 2.904 18.028 326 HB2 PRO 41 2HB PRO 41 7.406 3.357 20.009 327 HB3 PRO 41 1HB PRO 41 7.782 3.167 18.281 328 HG2 PRO 41 2HG PRO 41 7.483 5.698 19.877 329 HG3 PRO 41 1HG PRO 41 8.707 5.264 18.658 330 HD2 PRO 41 2HD PRO 41 6.627 6.861 18.009 331 HD3 PRO 41 1HD PRO 41 7.282 5.685 16.854 332 H LEU 42 H LEU 42 4.654 5.667 20.020 333 HA LEU 42 HA LEU 42 3.754 4.195 22.327 334 HB2 LEU 42 2HB LEU 42 3.098 7.020 21.415 335 HB3 LEU 42 1HB LEU 42 2.638 6.347 22.974 336 HG LEU 42 HG LEU 42 5.476 6.901 22.014 337 HD11 LEU 42 1HD1 LEU 42 4.266 8.932 22.598 338 HD12 LEU 42 2HD1 LEU 42 5.534 8.596 23.774 339 HD13 LEU 42 3HD1 LEU 42 3.847 8.257 24.178 340 HD21 LEU 42 3HD2 LEU 42 6.216 6.251 24.271 341 HD22 LEU 42 1HD2 LEU 42 5.468 4.901 23.422 342 HD23 LEU 42 2HD2 LEU 42 4.567 5.758 24.677 343 H GLY 43 H GLY 43 2.277 5.248 19.306 344 HA2 GLY 43 2HA GLY 43 0.430 4.288 18.265 345 HA3 GLY 43 1HA GLY 43 -0.049 3.529 19.779 Start of MODEL 12 1 H1 GLY 1 H GLY 1 20.984 12.064 -3.540 2 HA2 GLY 1 1HA GLY 1 22.910 12.818 -1.591 3 HA3 GLY 1 2HA GLY 1 21.366 12.635 -0.775 4 H HIS 2 H HIS 2 20.239 10.505 -1.059 5 HA HIS 2 HA HIS 2 21.639 8.167 -1.900 6 HB2 HIS 2 2HB HIS 2 22.204 7.176 0.299 7 HB3 HIS 2 1HB HIS 2 23.039 8.714 0.106 8 HD1 HIS 2 1HD HIS 2 20.829 6.898 2.387 9 HD2 HIS 2 2HD HIS 2 21.795 10.878 1.661 10 HE1 HIS 2 1HE HIS 2 20.038 8.172 4.402 11 HE2 HIS 2 2HE HIS 2 20.532 10.578 3.889 12 H MET 3 H MET 3 19.154 9.001 -2.487 13 HA MET 3 HA MET 3 16.944 8.760 -2.465 14 HB2 MET 3 2HB MET 3 16.028 6.443 -2.424 15 HB3 MET 3 1HB MET 3 17.410 6.643 -3.474 16 HG2 MET 3 2HG MET 3 18.833 5.482 -1.834 17 HG3 MET 3 1HG MET 3 17.451 5.311 -0.756 18 HE1 MET 3 3HE MET 3 15.235 2.679 -2.598 19 HE2 MET 3 1HE MET 3 15.030 4.426 -2.468 20 HE3 MET 3 2HE MET 3 15.539 3.485 -1.061 21 HA PRO 4 HA PRO 4 15.993 9.653 1.977 22 HB2 PRO 4 2HB PRO 4 13.920 11.350 0.602 23 HB3 PRO 4 1HB PRO 4 15.052 11.787 1.900 24 HG2 PRO 4 2HG PRO 4 15.467 12.676 -0.572 25 HG3 PRO 4 1HG PRO 4 16.830 12.140 0.437 26 HD2 PRO 4 2HD PRO 4 15.459 10.655 -1.805 27 HD3 PRO 4 1HD PRO 4 17.197 10.797 -1.445 28 H LYS 5 H LYS 5 13.415 9.531 -0.499 29 HA LYS 5 HA LYS 5 12.648 6.885 0.103 30 HB2 LYS 5 2HB LYS 5 10.286 7.255 0.795 31 HB3 LYS 5 1HB LYS 5 11.437 7.784 2.014 32 HG2 LYS 5 2HG LYS 5 11.018 10.099 1.539 33 HG3 LYS 5 1HG LYS 5 10.111 9.699 0.079 34 HD2 LYS 5 2HD LYS 5 8.356 8.623 1.485 35 HD3 LYS 5 1HD LYS 5 9.253 9.082 2.936 36 HE2 LYS 5 2HE LYS 5 7.376 10.630 2.470 37 HE3 LYS 5 1HE LYS 5 8.935 11.460 2.405 38 HZ1 LYS 5 3HZ LYS 5 7.575 12.146 0.567 39 HZ2 LYS 5 1HZ LYS 5 7.303 10.550 0.089 40 HZ3 LYS 5 2HZ LYS 5 8.850 11.220 -0.039 41 H ILE 6 H ILE 6 12.682 6.338 -1.990 42 HA ILE 6 HA ILE 6 11.528 7.810 -4.163 43 HB ILE 6 HB ILE 6 12.100 4.809 -3.995 44 HG12 ILE 6 2HG1 ILE 6 13.896 7.067 -4.996 45 HG13 ILE 6 1HG1 ILE 6 14.151 6.107 -3.546 46 HG21 ILE 6 1HG2 ILE 6 10.566 5.365 -5.848 47 HG22 ILE 6 2HG2 ILE 6 12.133 4.838 -6.458 48 HG23 ILE 6 3HG2 ILE 6 11.724 6.553 -6.457 49 HD11 ILE 6 3HD1 ILE 6 15.629 5.390 -5.302 50 HD12 ILE 6 1HD1 ILE 6 14.268 5.099 -6.388 51 HD13 ILE 6 2HD1 ILE 6 14.472 4.113 -4.937 52 H ASN 7 H ASN 7 10.461 5.385 -1.919 53 HA ASN 7 HA ASN 7 7.807 4.986 -3.067 54 HB2 ASN 7 2HB ASN 7 9.178 3.873 -0.575 55 HB3 ASN 7 1HB ASN 7 7.576 3.387 -1.136 56 HD21 ASN 7 1HD2 ASN 7 7.414 2.204 -3.132 57 HD22 ASN 7 2HD2 ASN 7 8.784 1.359 -3.751 58 H GLU 8 H GLU 8 5.960 5.824 -2.250 59 HA GLU 8 HA GLU 8 6.002 7.441 0.237 60 HB2 GLU 8 2HB GLU 8 5.496 8.701 -1.896 61 HB3 GLU 8 1HB GLU 8 4.084 7.685 -2.126 62 HG2 GLU 8 2HG GLU 8 3.437 9.871 -1.266 63 HG3 GLU 8 1HG GLU 8 3.082 8.628 -0.064 64 H ASP 9 H ASP 9 5.103 4.477 -0.964 65 HA ASP 9 HA ASP 9 2.533 4.055 0.161 66 HB2 ASP 9 2HB ASP 9 3.048 1.654 -0.312 67 HB3 ASP 9 1HB ASP 9 3.308 2.681 -1.693 68 H TRP 10 H TRP 10 2.496 1.881 1.597 69 HA TRP 10 HA TRP 10 3.961 2.430 4.104 70 HB2 TRP 10 2HB TRP 10 2.058 1.238 5.241 71 HB3 TRP 10 1HB TRP 10 1.620 2.767 4.496 72 HD1 TRP 10 HD TRP 10 -0.155 2.691 2.498 73 HE1 TRP 10 1HE TRP 10 -1.802 0.858 1.737 74 HE3 TRP 10 3HE TRP 10 1.946 -1.315 4.853 75 HZ2 TRP 10 2HZ TRP 10 -2.139 -1.914 2.075 76 HZ3 TRP 10 3HZ TRP 10 0.931 -3.534 4.564 77 HH2 TRP 10 HH TRP 10 -1.074 -3.828 3.198 78 H LEU 11 H LEU 11 4.624 0.637 5.335 79 HA LEU 11 HA LEU 11 5.402 -1.706 3.719 80 HB2 LEU 11 2HB LEU 11 7.103 0.132 4.813 81 HB3 LEU 11 1HB LEU 11 6.962 -0.941 6.183 82 HG LEU 11 HG LEU 11 8.971 -1.466 4.873 83 HD11 LEU 11 1HD1 LEU 11 7.896 -3.360 5.999 84 HD12 LEU 11 2HD1 LEU 11 8.692 -3.867 4.513 85 HD13 LEU 11 3HD1 LEU 11 6.935 -3.692 4.553 86 HD21 LEU 11 3HD2 LEU 11 8.230 -0.630 2.681 87 HD22 LEU 11 1HD2 LEU 11 7.122 -1.995 2.516 88 HD23 LEU 11 2HD2 LEU 11 8.867 -2.267 2.546 89 H CYS 12 H CYS 12 4.623 -3.639 4.428 90 HA CYS 12 HA CYS 12 2.852 -3.900 6.622 91 HB2 CYS 12 2HB CYS 12 2.733 -5.405 4.659 92 HB3 CYS 12 1HB CYS 12 4.318 -6.063 5.048 93 H ASN 13 H ASN 13 3.109 -5.091 8.590 94 HA ASN 13 HA ASN 13 5.872 -5.334 9.627 95 HB2 ASN 13 2HB ASN 13 4.782 -5.534 11.891 96 HB3 ASN 13 1HB ASN 13 4.459 -4.004 11.094 97 HD21 ASN 13 1HD2 ASN 13 2.379 -3.454 10.627 98 HD22 ASN 13 2HD2 ASN 13 0.995 -4.386 11.086 99 H LYS 14 H LYS 14 3.192 -7.189 8.510 100 HA LYS 14 HA LYS 14 3.895 -9.631 9.938 101 HB2 LYS 14 2HB LYS 14 1.707 -9.283 7.846 102 HB3 LYS 14 1HB LYS 14 1.866 -10.581 9.034 103 HG2 LYS 14 2HG LYS 14 1.744 -8.632 10.788 104 HG3 LYS 14 1HG LYS 14 1.055 -7.710 9.453 105 HD2 LYS 14 2HD LYS 14 -0.754 -9.373 9.248 106 HD3 LYS 14 1HD LYS 14 -0.048 -10.309 10.574 107 HE2 LYS 14 2HE LYS 14 -1.259 -7.529 10.716 108 HE3 LYS 14 1HE LYS 14 -1.842 -9.000 11.492 109 HZ1 LYS 14 3HZ LYS 14 0.058 -9.006 12.935 110 HZ2 LYS 14 1HZ LYS 14 -0.676 -7.490 13.027 111 HZ3 LYS 14 2HZ LYS 14 0.749 -7.687 12.137 112 H CYS 15 H CYS 15 3.214 -9.069 6.368 113 HA CYS 15 HA CYS 15 5.075 -11.221 5.703 114 HB2 CYS 15 2HB CYS 15 4.455 -10.677 3.366 115 HB3 CYS 15 1HB CYS 15 3.046 -10.949 4.387 116 H GLY 16 H GLY 16 5.053 -7.740 5.855 117 HA2 GLY 16 2HA GLY 16 6.735 -6.192 5.802 118 HA3 GLY 16 1HA GLY 16 7.905 -7.495 5.660 119 H VAL 17 H VAL 17 5.184 -6.507 3.556 120 HA VAL 17 HA VAL 17 7.050 -6.412 1.266 121 HB VAL 17 HB VAL 17 5.147 -6.754 -0.224 122 HG11 VAL 17 1HG1 VAL 17 4.596 -9.072 0.373 123 HG12 VAL 17 2HG1 VAL 17 5.185 -8.801 2.015 124 HG13 VAL 17 3HG1 VAL 17 6.303 -8.723 0.652 125 HG21 VAL 17 3HG2 VAL 17 3.394 -6.827 2.265 126 HG22 VAL 17 1HG2 VAL 17 2.864 -7.245 0.631 127 HG23 VAL 17 2HG2 VAL 17 3.375 -5.597 1.002 128 H GLN 18 H GLN 18 6.503 -4.943 -0.457 129 HA GLN 18 HA GLN 18 5.788 -2.221 0.416 130 HB2 GLN 18 2HB GLN 18 8.030 -2.627 -0.595 131 HB3 GLN 18 1HB GLN 18 7.275 -3.317 -2.019 132 HG2 GLN 18 2HG GLN 18 6.243 -1.054 -2.447 133 HG3 GLN 18 1HG GLN 18 7.213 -0.435 -1.116 134 HE21 GLN 18 1HE2 GLN 18 9.499 -0.427 -1.310 135 HE22 GLN 18 2HE2 GLN 18 10.272 -0.492 -2.855 136 H ASN 19 H ASN 19 3.704 -1.613 -0.158 137 HA ASN 19 HA ASN 19 2.338 -2.924 -2.427 138 HB2 ASN 19 2HB ASN 19 0.291 -1.932 -1.583 139 HB3 ASN 19 1HB ASN 19 1.132 -2.658 -0.222 140 HD21 ASN 19 1HD2 ASN 19 -0.755 -0.231 -0.760 141 HD22 ASN 19 2HD2 ASN 19 -0.072 0.977 0.250 142 H PHE 20 H PHE 20 0.738 -0.978 -3.462 143 HA PHE 20 HA PHE 20 2.594 1.053 -4.529 144 HB2 PHE 20 2HB PHE 20 1.562 -0.519 -6.203 145 HB3 PHE 20 1HB PHE 20 -0.030 0.097 -5.766 146 HD1 PHE 20 2HD PHE 20 3.328 1.558 -6.692 147 HD2 PHE 20 1HD PHE 20 -0.915 1.683 -7.290 148 HE1 PHE 20 2HE PHE 20 3.596 3.419 -8.301 149 HE2 PHE 20 1HE PHE 20 -0.627 3.550 -8.884 150 HZ PHE 20 HZ PHE 20 1.624 4.407 -9.392 151 H LYS 21 H LYS 21 1.575 1.497 -2.001 152 HA LYS 21 HA LYS 21 0.639 2.944 -0.630 153 HB2 LYS 21 2HB LYS 21 1.803 4.545 -2.187 154 HB3 LYS 21 1HB LYS 21 0.258 4.796 -3.001 155 HG2 LYS 21 2HG LYS 21 -0.719 5.646 -0.919 156 HG3 LYS 21 1HG LYS 21 0.799 5.315 -0.075 157 HD2 LYS 21 2HD LYS 21 1.956 7.034 -1.335 158 HD3 LYS 21 1HD LYS 21 0.570 7.250 -2.411 159 HE2 LYS 21 2HE LYS 21 0.553 7.856 0.564 160 HE3 LYS 21 1HE LYS 21 0.773 9.055 -0.711 161 HZ1 LYS 21 3HZ LYS 21 -1.429 8.477 -1.564 162 HZ2 LYS 21 1HZ LYS 21 -1.500 9.017 0.032 163 HZ3 LYS 21 2HZ LYS 21 -1.643 7.367 -0.308 164 H ARG 22 H ARG 22 -1.391 3.620 -3.491 165 HA ARG 22 HA ARG 22 -3.869 3.893 -2.450 166 HB2 ARG 22 2HB ARG 22 -2.836 2.890 -5.079 167 HB3 ARG 22 1HB ARG 22 -4.526 2.545 -4.761 168 HG2 ARG 22 2HG ARG 22 -3.283 5.309 -4.743 169 HG3 ARG 22 1HG ARG 22 -4.207 4.608 -6.073 170 HD2 ARG 22 2HD ARG 22 -6.162 4.375 -4.465 171 HD3 ARG 22 1HD ARG 22 -5.219 5.311 -3.298 172 HE ARG 22 HE ARG 22 -5.277 6.780 -5.659 173 HH11 ARG 22 1HH1 ARG 22 -7.636 5.674 -3.269 174 HH12 ARG 22 2HH1 ARG 22 -8.713 7.002 -3.558 175 HH21 ARG 22 1HH2 ARG 22 -6.724 8.473 -6.044 176 HH22 ARG 22 2HH2 ARG 22 -8.192 8.586 -5.128 177 H ARG 23 H ARG 23 -2.226 0.818 -2.991 178 HA ARG 23 HA ARG 23 -4.311 -0.993 -2.514 179 HB2 ARG 23 2HB ARG 23 -1.333 -1.239 -1.893 180 HB3 ARG 23 1HB ARG 23 -2.458 -2.586 -1.830 181 HG2 ARG 23 2HG ARG 23 -1.936 -0.984 -4.353 182 HG3 ARG 23 1HG ARG 23 -1.014 -2.417 -3.913 183 HD2 ARG 23 2HD ARG 23 -2.674 -3.106 -5.476 184 HD3 ARG 23 1HD ARG 23 -3.201 -3.700 -3.898 185 HE ARG 23 HE ARG 23 -4.383 -1.185 -4.414 186 HH11 ARG 23 1HH1 ARG 23 -4.580 -4.515 -5.559 187 HH12 ARG 23 2HH1 ARG 23 -6.240 -4.369 -6.044 188 HH21 ARG 23 1HH2 ARG 23 -6.588 -1.043 -4.986 189 HH22 ARG 23 2HH2 ARG 23 -7.377 -2.404 -5.714 190 H GLU 24 H GLU 24 -5.602 -0.789 -0.821 191 HA GLU 24 HA GLU 24 -4.832 0.547 1.605 192 HB2 GLU 24 2HB GLU 24 -7.082 0.667 0.351 193 HB3 GLU 24 1HB GLU 24 -7.467 -0.881 1.084 194 HG2 GLU 24 2HG GLU 24 -7.397 0.105 3.312 195 HG3 GLU 24 1HG GLU 24 -6.801 1.628 2.659 196 H LYS 25 H LYS 25 -5.056 -2.716 0.540 197 HA LYS 25 HA LYS 25 -4.139 -3.721 3.179 198 HB2 LYS 25 2HB LYS 25 -5.837 -5.299 1.174 199 HB3 LYS 25 1HB LYS 25 -5.311 -5.833 2.768 200 HG2 LYS 25 2HG LYS 25 -6.735 -4.092 3.820 201 HG3 LYS 25 1HG LYS 25 -7.266 -3.578 2.218 202 HD2 LYS 25 2HD LYS 25 -8.997 -4.984 3.145 203 HD3 LYS 25 1HD LYS 25 -8.208 -5.892 1.852 204 HE2 LYS 25 2HE LYS 25 -6.847 -7.072 3.605 205 HE3 LYS 25 1HE LYS 25 -7.784 -6.224 4.838 206 HZ1 LYS 25 3HZ LYS 25 -8.691 -8.411 4.475 207 HZ2 LYS 25 1HZ LYS 25 -8.865 -8.115 2.816 208 HZ3 LYS 25 2HZ LYS 25 -9.796 -7.257 3.931 209 H CYS 26 H CYS 26 -2.532 -5.438 3.017 210 HA CYS 26 HA CYS 26 -0.668 -5.287 0.931 211 HB2 CYS 26 2HB CYS 26 -1.068 -7.250 3.185 212 HB3 CYS 26 1HB CYS 26 0.084 -7.645 1.914 213 H PHE 27 H PHE 27 -0.401 -6.359 -0.922 214 HA PHE 27 HA PHE 27 -2.630 -7.401 -2.279 215 HB2 PHE 27 2HB PHE 27 -1.052 -7.726 -4.171 216 HB3 PHE 27 1HB PHE 27 -0.918 -6.150 -3.429 217 HD1 PHE 27 2HD PHE 27 1.091 -5.530 -2.089 218 HD2 PHE 27 1HD PHE 27 0.861 -9.267 -4.169 219 HE1 PHE 27 2HE PHE 27 3.531 -5.803 -1.894 220 HE2 PHE 27 1HE PHE 27 3.305 -9.516 -3.975 221 HZ PHE 27 HZ PHE 27 4.636 -7.790 -2.831 222 H LYS 28 H LYS 28 -0.524 -9.070 -0.198 223 HA LYS 28 HA LYS 28 -1.234 -11.696 -1.348 224 HB2 LYS 28 2HB LYS 28 1.126 -12.451 -0.853 225 HB3 LYS 28 1HB LYS 28 0.961 -11.290 -2.158 226 HG2 LYS 28 2HG LYS 28 2.772 -10.362 -1.103 227 HG3 LYS 28 1HG LYS 28 1.508 -9.530 -0.211 228 HD2 LYS 28 2HD LYS 28 3.213 -10.338 1.325 229 HD3 LYS 28 1HD LYS 28 1.740 -11.274 1.582 230 HE2 LYS 28 2HE LYS 28 2.688 -13.131 0.247 231 HE3 LYS 28 1HE LYS 28 4.150 -12.187 -0.038 232 HZ1 LYS 28 3HZ LYS 28 4.486 -13.766 1.732 233 HZ2 LYS 28 1HZ LYS 28 3.190 -13.133 2.608 234 HZ3 LYS 28 2HZ LYS 28 4.567 -12.194 2.345 235 H CYS 29 H CYS 29 0.002 -9.983 1.556 236 HA CYS 29 HA CYS 29 -0.619 -12.157 3.336 237 HB2 CYS 29 2HB CYS 29 1.288 -10.706 3.692 238 HB3 CYS 29 1HB CYS 29 0.258 -9.287 3.778 239 H GLY 30 H GLY 30 -2.028 -8.982 2.577 240 HA2 GLY 30 2HA GLY 30 -4.248 -8.367 2.604 241 HA3 GLY 30 1HA GLY 30 -4.662 -9.863 3.416 242 H VAL 31 H VAL 31 -2.092 -8.073 4.912 243 HA VAL 31 HA VAL 31 -3.660 -7.361 7.188 244 HB VAL 31 HB VAL 31 -1.215 -7.711 7.394 245 HG11 VAL 31 1HG1 VAL 31 -0.428 -6.726 5.307 246 HG12 VAL 31 2HG1 VAL 31 0.408 -6.002 6.680 247 HG13 VAL 31 3HG1 VAL 31 -0.880 -5.112 5.868 248 HG21 VAL 31 3HG2 VAL 31 -2.357 -6.405 9.137 249 HG22 VAL 31 1HG2 VAL 31 -2.055 -4.912 8.242 250 HG23 VAL 31 2HG2 VAL 31 -0.704 -5.829 8.916 251 HA PRO 32 HA PRO 32 -5.362 -3.473 5.468 252 HB2 PRO 32 2HB PRO 32 -6.384 -2.499 7.866 253 HB3 PRO 32 1HB PRO 32 -7.230 -3.691 6.860 254 HG2 PRO 32 2HG PRO 32 -5.532 -4.153 9.290 255 HG3 PRO 32 1HG PRO 32 -7.095 -4.883 8.862 256 HD2 PRO 32 2HD PRO 32 -4.790 -6.223 8.484 257 HD3 PRO 32 1HD PRO 32 -6.136 -6.375 7.329 258 H LYS 33 H LYS 33 -4.462 -1.441 5.346 259 HA LYS 33 HA LYS 33 -1.940 -0.766 6.292 260 HB2 LYS 33 2HB LYS 33 -2.979 0.387 4.393 261 HB3 LYS 33 1HB LYS 33 -4.228 1.057 5.434 262 HG2 LYS 33 2HG LYS 33 -2.439 2.354 6.650 263 HG3 LYS 33 1HG LYS 33 -1.273 1.745 5.470 264 HD2 LYS 33 2HD LYS 33 -1.966 3.973 4.797 265 HD3 LYS 33 1HD LYS 33 -2.618 2.804 3.648 266 HE2 LYS 33 2HE LYS 33 -4.802 2.902 4.969 267 HE3 LYS 33 1HE LYS 33 -4.101 4.248 5.862 268 HZ1 LYS 33 3HZ LYS 33 -5.474 5.034 4.029 269 HZ2 LYS 33 1HZ LYS 33 -4.509 4.202 2.917 270 HZ3 LYS 33 2HZ LYS 33 -3.862 5.483 3.803 271 H SER 34 H SER 34 -5.087 -0.283 7.700 272 HA SER 34 HA SER 34 -4.591 1.532 9.735 273 HB2 SER 34 2HB SER 34 -6.841 0.678 8.966 274 HB3 SER 34 1HB SER 34 -6.525 -0.827 9.829 275 HG SER 34 HG SER 34 -7.057 1.749 10.818 276 H GLU 35 H GLU 35 -3.948 -1.932 9.552 277 HA GLU 35 HA GLU 35 -2.932 -2.071 12.322 278 HB2 GLU 35 2HB GLU 35 -4.601 -3.728 11.614 279 HB3 GLU 35 1HB GLU 35 -3.579 -4.228 10.269 280 HG2 GLU 35 2HG GLU 35 -1.928 -5.146 11.832 281 HG3 GLU 35 1HG GLU 35 -2.848 -4.536 13.204 282 H ALA 36 H ALA 36 -1.863 -1.845 9.054 283 HA ALA 36 HA ALA 36 0.707 -3.148 9.291 284 HB1 ALA 36 1HB ALA 36 -0.321 -1.234 7.165 285 HB2 ALA 36 2HB ALA 36 -0.479 -2.994 7.140 286 HB3 ALA 36 3HB ALA 36 1.121 -2.249 7.041 287 H GLU 37 H GLU 37 2.445 -1.371 8.040 288 HA GLU 37 HA GLU 37 3.980 0.225 8.374 289 HB2 GLU 37 2HB GLU 37 1.760 1.622 9.921 290 HB3 GLU 37 1HB GLU 37 3.265 2.381 9.421 291 HG2 GLU 37 2HG GLU 37 2.675 2.224 7.098 292 HG3 GLU 37 1HG GLU 37 1.272 1.214 7.460 293 H GLN 38 H GLN 38 4.776 1.751 10.522 294 HA GLN 38 HA GLN 38 5.424 -0.150 12.645 295 HB2 GLN 38 2HB GLN 38 6.200 2.787 12.300 296 HB3 GLN 38 1HB GLN 38 6.830 1.708 13.545 297 HG2 GLN 38 2HG GLN 38 7.782 0.263 11.709 298 HG3 GLN 38 1HG GLN 38 7.275 1.488 10.547 299 HE21 GLN 38 1HE2 GLN 38 9.955 0.517 11.167 300 HE22 GLN 38 2HE2 GLN 38 10.872 1.901 11.648 301 H LYS 39 H LYS 39 3.133 -0.404 13.213 302 HA LYS 39 HA LYS 39 2.082 1.729 14.967 303 HB2 LYS 39 2HB LYS 39 1.052 1.708 12.578 304 HB3 LYS 39 1HB LYS 39 0.263 0.211 13.063 305 HG2 LYS 39 2HG LYS 39 -0.767 1.466 15.001 306 HG3 LYS 39 1HG LYS 39 -0.065 2.943 14.348 307 HD2 LYS 39 2HD LYS 39 -2.194 1.204 13.071 308 HD3 LYS 39 1HD LYS 39 -2.389 2.827 13.717 309 HE2 LYS 39 2HE LYS 39 -2.320 3.226 11.431 310 HE3 LYS 39 1HE LYS 39 -0.636 3.495 11.870 311 HZ1 LYS 39 3HZ LYS 39 -0.869 2.162 9.859 312 HZ2 LYS 39 1HZ LYS 39 -1.744 0.996 10.698 313 HZ3 LYS 39 2HZ LYS 39 -0.120 1.265 11.079 314 H LEU 40 H LEU 40 0.949 1.020 16.729 315 HA LEU 40 HA LEU 40 0.624 -0.204 18.573 316 HB2 LEU 40 2HB LEU 40 0.097 -2.379 16.531 317 HB3 LEU 40 1HB LEU 40 0.080 -2.749 18.243 318 HG LEU 40 HG LEU 40 -1.783 -1.085 18.540 319 HD11 LEU 40 1HD1 LEU 40 -1.409 0.352 16.614 320 HD12 LEU 40 2HD1 LEU 40 -3.051 -0.289 16.611 321 HD13 LEU 40 3HD1 LEU 40 -1.838 -0.968 15.521 322 HD21 LEU 40 3HD2 LEU 40 -2.269 -3.478 18.367 323 HD22 LEU 40 1HD2 LEU 40 -2.369 -3.351 16.606 324 HD23 LEU 40 2HD2 LEU 40 -3.551 -2.523 17.625 325 HA PRO 41 HA PRO 41 4.725 -1.850 19.612 326 HB2 PRO 41 2HB PRO 41 3.481 -3.076 22.037 327 HB3 PRO 41 1HB PRO 41 4.757 -1.850 21.925 328 HG2 PRO 41 2HG PRO 41 2.282 -1.215 22.770 329 HG3 PRO 41 1HG PRO 41 3.270 -0.085 21.815 330 HD2 PRO 41 2HD PRO 41 0.981 -1.820 20.903 331 HD3 PRO 41 1HD PRO 41 1.367 -0.138 20.462 332 H LEU 42 H LEU 42 1.813 -3.782 19.730 333 HA LEU 42 HA LEU 42 2.970 -6.383 19.626 334 HB2 LEU 42 2HB LEU 42 0.657 -5.938 20.430 335 HB3 LEU 42 1HB LEU 42 0.198 -5.424 18.815 336 HG LEU 42 HG LEU 42 0.680 -7.766 17.996 337 HD11 LEU 42 1HD1 LEU 42 0.962 -8.427 20.940 338 HD12 LEU 42 2HD1 LEU 42 2.241 -8.491 19.724 339 HD13 LEU 42 3HD1 LEU 42 0.871 -9.593 19.617 340 HD21 LEU 42 3HD2 LEU 42 -1.433 -7.533 20.161 341 HD22 LEU 42 1HD2 LEU 42 -1.394 -8.741 18.871 342 HD23 LEU 42 2HD2 LEU 42 -1.607 -7.038 18.474 343 H GLY 43 H GLY 43 1.447 -4.286 17.157 344 HA2 GLY 43 2HA GLY 43 1.781 -4.110 14.890 345 HA3 GLY 43 1HA GLY 43 3.058 -5.308 14.989 Start of MODEL 13 1 H1 GLY 1 H GLY 1 8.794 16.312 -12.409 2 HA2 GLY 1 1HA GLY 1 10.910 14.809 -13.586 3 HA3 GLY 1 2HA GLY 1 10.567 14.120 -12.006 4 H HIS 2 H HIS 2 10.027 12.223 -13.504 5 HA HIS 2 HA HIS 2 7.446 12.425 -14.903 6 HB2 HIS 2 2HB HIS 2 7.961 10.270 -15.898 7 HB3 HIS 2 1HB HIS 2 9.379 11.291 -16.030 8 HD1 HIS 2 1HD HIS 2 11.538 10.439 -14.980 9 HD2 HIS 2 2HD HIS 2 8.248 8.072 -14.052 10 HE1 HIS 2 1HE HIS 2 12.469 8.345 -13.952 11 HE2 HIS 2 2HE HIS 2 10.453 7.042 -13.215 12 H MET 3 H MET 3 7.844 12.341 -11.833 13 HA MET 3 HA MET 3 5.828 10.242 -11.270 14 HB2 MET 3 2HB MET 3 6.878 9.898 -9.036 15 HB3 MET 3 1HB MET 3 7.950 9.458 -10.353 16 HG2 MET 3 2HG MET 3 8.133 12.012 -8.737 17 HG3 MET 3 1HG MET 3 9.129 10.582 -8.495 18 HE1 MET 3 3HE MET 3 11.095 9.851 -10.099 19 HE2 MET 3 1HE MET 3 11.392 10.579 -11.681 20 HE3 MET 3 2HE MET 3 9.924 9.646 -11.404 21 HA PRO 4 HA PRO 4 3.750 14.209 -9.949 22 HB2 PRO 4 2HB PRO 4 1.422 12.536 -10.870 23 HB3 PRO 4 1HB PRO 4 1.771 14.251 -11.188 24 HG2 PRO 4 2HG PRO 4 2.080 12.452 -13.117 25 HG3 PRO 4 1HG PRO 4 3.259 13.773 -12.922 26 HD2 PRO 4 2HD PRO 4 3.504 10.889 -12.049 27 HD3 PRO 4 1HD PRO 4 4.704 11.930 -12.851 28 H LYS 5 H LYS 5 3.110 10.747 -9.509 29 HA LYS 5 HA LYS 5 1.944 10.999 -6.884 30 HB2 LYS 5 2HB LYS 5 1.938 8.607 -6.804 31 HB3 LYS 5 1HB LYS 5 1.602 9.011 -8.483 32 HG2 LYS 5 2HG LYS 5 3.951 8.504 -9.088 33 HG3 LYS 5 1HG LYS 5 4.308 8.144 -7.397 34 HD2 LYS 5 2HD LYS 5 4.011 6.051 -8.550 35 HD3 LYS 5 1HD LYS 5 2.617 6.283 -7.491 36 HE2 LYS 5 2HE LYS 5 1.927 5.419 -9.681 37 HE3 LYS 5 1HE LYS 5 1.288 7.046 -9.432 38 HZ1 LYS 5 3HZ LYS 5 2.229 6.693 -11.664 39 HZ2 LYS 5 1HZ LYS 5 3.748 6.422 -10.980 40 HZ3 LYS 5 2HZ LYS 5 3.009 7.936 -10.831 41 H ILE 6 H ILE 6 2.991 10.287 -4.903 42 HA ILE 6 HA ILE 6 5.917 10.656 -4.845 43 HB ILE 6 HB ILE 6 3.960 10.555 -2.499 44 HG12 ILE 6 2HG1 ILE 6 4.646 13.066 -2.257 45 HG13 ILE 6 1HG1 ILE 6 5.217 12.948 -3.914 46 HG21 ILE 6 1HG2 ILE 6 6.930 11.197 -2.535 47 HG22 ILE 6 2HG2 ILE 6 6.180 9.742 -1.873 48 HG23 ILE 6 3HG2 ILE 6 5.880 11.309 -1.121 49 HD11 ILE 6 3HD1 ILE 6 2.931 12.415 -4.654 50 HD12 ILE 6 1HD1 ILE 6 3.003 13.954 -3.793 51 HD13 ILE 6 2HD1 ILE 6 2.371 12.521 -2.984 52 H ASN 7 H ASN 7 3.357 8.602 -3.470 53 HA ASN 7 HA ASN 7 3.309 6.596 -2.482 54 HB2 ASN 7 2HB ASN 7 4.610 5.940 -5.139 55 HB3 ASN 7 1HB ASN 7 4.062 4.700 -4.017 56 HD21 ASN 7 1HD2 ASN 7 2.512 3.938 -5.539 57 HD22 ASN 7 2HD2 ASN 7 1.059 4.819 -5.863 58 H GLU 8 H GLU 8 4.785 7.549 -0.899 59 HA GLU 8 HA GLU 8 7.424 6.629 -0.531 60 HB2 GLU 8 2HB GLU 8 6.438 8.466 0.778 61 HB3 GLU 8 1HB GLU 8 5.241 7.376 1.463 62 HG2 GLU 8 2HG GLU 8 6.935 7.858 3.115 63 HG3 GLU 8 1HG GLU 8 7.052 6.161 2.646 64 H ASP 9 H ASP 9 4.284 5.164 -0.069 65 HA ASP 9 HA ASP 9 3.494 3.146 0.345 66 HB2 ASP 9 2HB ASP 9 4.980 2.426 -1.474 67 HB3 ASP 9 1HB ASP 9 6.301 2.187 -0.336 68 H TRP 10 H TRP 10 3.404 1.336 1.744 69 HA TRP 10 HA TRP 10 4.797 1.633 4.323 70 HB2 TRP 10 2HB TRP 10 2.730 0.486 5.249 71 HB3 TRP 10 1HB TRP 10 2.459 2.099 4.609 72 HD1 TRP 10 HD TRP 10 1.187 2.198 2.097 73 HE1 TRP 10 1HE TRP 10 -0.633 0.628 1.174 74 HE3 TRP 10 3HE TRP 10 1.950 -1.799 5.160 75 HZ2 TRP 10 2HZ TRP 10 -1.624 -1.950 1.693 76 HZ3 TRP 10 3HZ TRP 10 0.526 -3.781 4.896 77 HH2 TRP 10 HH TRP 10 -1.217 -3.858 3.198 78 H LEU 11 H LEU 11 6.166 0.074 4.739 79 HA LEU 11 HA LEU 11 6.192 -2.480 3.317 80 HB2 LEU 11 2HB LEU 11 8.255 -1.001 3.943 81 HB3 LEU 11 1HB LEU 11 8.034 -1.570 5.578 82 HG LEU 11 HG LEU 11 9.860 -2.736 4.327 83 HD11 LEU 11 1HD1 LEU 11 8.844 -3.900 6.213 84 HD12 LEU 11 2HD1 LEU 11 9.364 -5.027 4.965 85 HD13 LEU 11 3HD1 LEU 11 7.651 -4.635 5.141 86 HD21 LEU 11 3HD2 LEU 11 8.841 -2.682 2.090 87 HD22 LEU 11 1HD2 LEU 11 7.663 -3.896 2.592 88 HD23 LEU 11 2HD2 LEU 11 9.380 -4.299 2.529 89 H CYS 12 H CYS 12 5.068 -4.237 4.183 90 HA CYS 12 HA CYS 12 3.461 -3.974 6.514 91 HB2 CYS 12 2HB CYS 12 2.885 -5.571 4.672 92 HB3 CYS 12 1HB CYS 12 4.267 -6.563 5.116 93 H ASN 13 H ASN 13 3.516 -5.099 8.446 94 HA ASN 13 HA ASN 13 6.176 -5.414 9.641 95 HB2 ASN 13 2HB ASN 13 4.890 -5.323 11.789 96 HB3 ASN 13 1HB ASN 13 4.590 -3.926 10.761 97 HD21 ASN 13 1HD2 ASN 13 2.873 -4.450 12.766 98 HD22 ASN 13 2HD2 ASN 13 1.354 -5.003 12.162 99 H LYS 14 H LYS 14 3.775 -7.375 8.282 100 HA LYS 14 HA LYS 14 4.502 -9.774 9.869 101 HB2 LYS 14 2HB LYS 14 1.938 -9.113 8.370 102 HB3 LYS 14 1HB LYS 14 2.275 -10.680 9.109 103 HG2 LYS 14 2HG LYS 14 2.371 -9.663 11.328 104 HG3 LYS 14 1HG LYS 14 2.175 -8.052 10.633 105 HD2 LYS 14 2HD LYS 14 0.124 -10.294 10.595 106 HD3 LYS 14 1HD LYS 14 0.067 -8.832 11.586 107 HE2 LYS 14 2HE LYS 14 -0.127 -8.976 8.558 108 HE3 LYS 14 1HE LYS 14 -1.414 -8.565 9.688 109 HZ1 LYS 14 3HZ LYS 14 -0.521 -6.584 8.684 110 HZ2 LYS 14 1HZ LYS 14 1.042 -6.971 9.195 111 HZ3 LYS 14 2HZ LYS 14 -0.149 -6.586 10.326 112 H CYS 15 H CYS 15 3.083 -9.213 6.523 113 HA CYS 15 HA CYS 15 4.581 -11.458 5.491 114 HB2 CYS 15 2HB CYS 15 3.658 -10.763 3.300 115 HB3 CYS 15 1HB CYS 15 2.417 -10.899 4.538 116 H GLY 16 H GLY 16 5.068 -8.036 5.752 117 HA2 GLY 16 2HA GLY 16 6.931 -6.742 5.605 118 HA3 GLY 16 1HA GLY 16 7.882 -8.202 5.375 119 H VAL 17 H VAL 17 5.220 -7.124 3.334 120 HA VAL 17 HA VAL 17 7.027 -7.235 1.012 121 HB VAL 17 HB VAL 17 5.053 -7.496 -0.373 122 HG11 VAL 17 1HG1 VAL 17 4.904 -9.325 2.049 123 HG12 VAL 17 2HG1 VAL 17 5.991 -9.508 0.669 124 HG13 VAL 17 3HG1 VAL 17 4.250 -9.672 0.442 125 HG21 VAL 17 3HG2 VAL 17 3.472 -6.023 0.788 126 HG22 VAL 17 1HG2 VAL 17 3.367 -7.154 2.139 127 HG23 VAL 17 2HG2 VAL 17 2.758 -7.616 0.545 128 H GLN 18 H GLN 18 7.028 -5.677 -0.610 129 HA GLN 18 HA GLN 18 6.399 -2.928 0.180 130 HB2 GLN 18 2HB GLN 18 8.656 -3.680 -0.852 131 HB3 GLN 18 1HB GLN 18 7.798 -3.860 -2.371 132 HG2 GLN 18 2HG GLN 18 7.864 -1.237 -0.848 133 HG3 GLN 18 1HG GLN 18 9.116 -1.688 -2.002 134 HE21 GLN 18 1HE2 GLN 18 7.139 0.538 -1.985 135 HE22 GLN 18 2HE2 GLN 18 6.300 0.424 -3.491 136 H ASN 19 H ASN 19 4.502 -2.094 -0.414 137 HA ASN 19 HA ASN 19 2.838 -3.375 -2.495 138 HB2 ASN 19 2HB ASN 19 2.004 -1.565 -0.179 139 HB3 ASN 19 1HB ASN 19 0.922 -2.351 -1.297 140 HD21 ASN 19 1HD2 ASN 19 2.944 -2.778 1.493 141 HD22 ASN 19 2HD2 ASN 19 2.412 -4.376 1.882 142 H PHE 20 H PHE 20 1.141 -0.804 -2.513 143 HA PHE 20 HA PHE 20 2.905 0.851 -4.230 144 HB2 PHE 20 2HB PHE 20 1.472 -0.741 -5.533 145 HB3 PHE 20 1HB PHE 20 0.037 -0.011 -4.824 146 HD1 PHE 20 2HD PHE 20 3.151 1.162 -6.555 147 HD2 PHE 20 1HD PHE 20 -1.104 1.456 -6.265 148 HE1 PHE 20 2HE PHE 20 3.136 2.807 -8.397 149 HE2 PHE 20 1HE PHE 20 -1.110 3.108 -8.102 150 HZ PHE 20 HZ PHE 20 1.008 3.776 -9.167 151 H LYS 21 H LYS 21 1.972 1.207 -1.434 152 HA LYS 21 HA LYS 21 1.050 2.530 0.067 153 HB2 LYS 21 2HB LYS 21 2.511 4.207 -1.076 154 HB3 LYS 21 1HB LYS 21 1.120 4.717 -2.036 155 HG2 LYS 21 2HG LYS 21 -0.069 5.417 -0.029 156 HG3 LYS 21 1HG LYS 21 1.224 4.763 0.984 157 HD2 LYS 21 2HD LYS 21 2.784 6.457 0.156 158 HD3 LYS 21 1HD LYS 21 1.573 7.056 -0.986 159 HE2 LYS 21 2HE LYS 21 1.764 8.504 1.015 160 HE3 LYS 21 1HE LYS 21 0.154 7.800 0.858 161 HZ1 LYS 21 3HZ LYS 21 1.069 7.755 3.147 162 HZ2 LYS 21 1HZ LYS 21 2.283 6.706 2.622 163 HZ3 LYS 21 2HZ LYS 21 0.665 6.223 2.569 164 H ARG 22 H ARG 22 -0.641 3.597 -2.900 165 HA ARG 22 HA ARG 22 -3.208 3.961 -1.967 166 HB2 ARG 22 2HB ARG 22 -2.329 2.889 -4.674 167 HB3 ARG 22 1HB ARG 22 -3.925 3.550 -4.334 168 HG2 ARG 22 2HG ARG 22 -1.304 5.082 -4.200 169 HG3 ARG 22 1HG ARG 22 -2.485 5.168 -5.508 170 HD2 ARG 22 2HD ARG 22 -4.164 6.048 -3.878 171 HD3 ARG 22 1HD ARG 22 -2.922 6.036 -2.627 172 HE ARG 22 HE ARG 22 -1.691 7.578 -4.292 173 HH11 ARG 22 1HH1 ARG 22 -5.171 7.646 -3.732 174 HH12 ARG 22 2HH1 ARG 22 -5.316 9.322 -4.144 175 HH21 ARG 22 1HH2 ARG 22 -1.894 9.755 -4.844 176 HH22 ARG 22 2HH2 ARG 22 -3.444 10.523 -4.780 177 H ARG 23 H ARG 23 -1.549 0.955 -2.353 178 HA ARG 23 HA ARG 23 -3.602 -0.914 -2.126 179 HB2 ARG 23 2HB ARG 23 -0.802 -0.770 -0.967 180 HB3 ARG 23 1HB ARG 23 -1.834 -2.168 -0.685 181 HG2 ARG 23 2HG ARG 23 -1.243 -1.195 -3.486 182 HG3 ARG 23 1HG ARG 23 -0.137 -2.268 -2.632 183 HD2 ARG 23 2HD ARG 23 -1.827 -3.976 -2.452 184 HD3 ARG 23 1HD ARG 23 -3.066 -2.896 -3.115 185 HE ARG 23 HE ARG 23 -1.002 -3.059 -4.983 186 HH11 ARG 23 1HH1 ARG 23 -3.417 -5.232 -3.606 187 HH12 ARG 23 2HH1 ARG 23 -3.498 -6.218 -5.027 188 HH21 ARG 23 1HH2 ARG 23 -1.158 -4.333 -6.846 189 HH22 ARG 23 2HH2 ARG 23 -2.216 -5.706 -6.866 190 H GLU 24 H GLU 24 -5.306 -0.505 -0.870 191 HA GLU 24 HA GLU 24 -5.383 0.581 1.732 192 HB2 GLU 24 2HB GLU 24 -7.312 0.118 0.015 193 HB3 GLU 24 1HB GLU 24 -7.348 -1.507 0.674 194 HG2 GLU 24 2HG GLU 24 -7.849 1.041 2.253 195 HG3 GLU 24 1HG GLU 24 -9.103 0.003 1.592 196 H LYS 25 H LYS 25 -5.077 -2.692 0.475 197 HA LYS 25 HA LYS 25 -4.198 -3.736 3.106 198 HB2 LYS 25 2HB LYS 25 -5.890 -5.101 0.962 199 HB3 LYS 25 1HB LYS 25 -5.127 -5.967 2.294 200 HG2 LYS 25 2HG LYS 25 -6.426 -4.676 3.917 201 HG3 LYS 25 1HG LYS 25 -7.182 -3.761 2.608 202 HD2 LYS 25 2HD LYS 25 -8.317 -5.742 1.787 203 HD3 LYS 25 1HD LYS 25 -7.408 -6.786 2.884 204 HE2 LYS 25 2HE LYS 25 -8.509 -5.732 4.803 205 HE3 LYS 25 1HE LYS 25 -9.422 -4.678 3.718 206 HZ1 LYS 25 3HZ LYS 25 -10.774 -6.545 4.371 207 HZ2 LYS 25 1HZ LYS 25 -9.593 -7.643 3.850 208 HZ3 LYS 25 2HZ LYS 25 -10.405 -6.680 2.727 209 H CYS 26 H CYS 26 -2.709 -5.524 2.991 210 HA CYS 26 HA CYS 26 -0.562 -5.334 1.201 211 HB2 CYS 26 2HB CYS 26 -1.448 -7.457 3.172 212 HB3 CYS 26 1HB CYS 26 -0.095 -7.777 2.097 213 H PHE 27 H PHE 27 0.056 -6.626 -0.588 214 HA PHE 27 HA PHE 27 -2.094 -7.080 -2.381 215 HB2 PHE 27 2HB PHE 27 -0.499 -7.327 -4.103 216 HB3 PHE 27 1HB PHE 27 0.254 -6.239 -2.961 217 HD1 PHE 27 2HD PHE 27 0.404 -9.632 -4.427 218 HD2 PHE 27 1HD PHE 27 2.290 -6.866 -1.761 219 HE1 PHE 27 2HE PHE 27 2.412 -11.050 -4.379 220 HE2 PHE 27 1HE PHE 27 4.295 -8.289 -1.743 221 HZ PHE 27 HZ PHE 27 4.360 -10.374 -3.025 222 H LYS 28 H LYS 28 -0.808 -9.192 -0.076 223 HA LYS 28 HA LYS 28 -2.202 -11.468 -1.270 224 HB2 LYS 28 2HB LYS 28 -0.267 -12.996 -0.934 225 HB3 LYS 28 1HB LYS 28 0.029 -11.762 -2.146 226 HG2 LYS 28 2HG LYS 28 2.034 -11.610 -1.077 227 HG3 LYS 28 1HG LYS 28 1.154 -10.508 -0.033 228 HD2 LYS 28 2HD LYS 28 0.987 -12.138 1.699 229 HD3 LYS 28 1HD LYS 28 1.324 -13.478 0.602 230 HE2 LYS 28 2HE LYS 28 3.658 -12.682 0.372 231 HE3 LYS 28 1HE LYS 28 3.316 -11.377 1.511 232 HZ1 LYS 28 3HZ LYS 28 3.193 -14.292 2.093 233 HZ2 LYS 28 1HZ LYS 28 2.817 -13.068 3.197 234 HZ3 LYS 28 2HZ LYS 28 4.395 -13.222 2.609 235 H CYS 29 H CYS 29 -0.432 -10.177 1.574 236 HA CYS 29 HA CYS 29 -1.488 -12.074 3.423 237 HB2 CYS 29 2HB CYS 29 0.635 -10.866 3.725 238 HB3 CYS 29 1HB CYS 29 -0.238 -9.345 3.878 239 H GLY 30 H GLY 30 -2.649 -9.011 2.141 240 HA2 GLY 30 2HA GLY 30 -4.780 -8.160 2.047 241 HA3 GLY 30 1HA GLY 30 -5.337 -9.666 2.758 242 H VAL 31 H VAL 31 -3.014 -7.964 4.622 243 HA VAL 31 HA VAL 31 -4.966 -7.260 6.638 244 HB VAL 31 HB VAL 31 -2.767 -8.137 7.341 245 HG11 VAL 31 1HG1 VAL 31 -0.690 -6.838 7.139 246 HG12 VAL 31 2HG1 VAL 31 -1.534 -5.618 6.179 247 HG13 VAL 31 3HG1 VAL 31 -1.342 -7.258 5.553 248 HG21 VAL 31 3HG2 VAL 31 -2.232 -6.467 9.098 249 HG22 VAL 31 1HG2 VAL 31 -3.970 -6.709 8.921 250 HG23 VAL 31 2HG2 VAL 31 -3.208 -5.266 8.247 251 HA PRO 32 HA PRO 32 -5.527 -3.004 5.106 252 HB2 PRO 32 2HB PRO 32 -6.414 -1.925 7.544 253 HB3 PRO 32 1HB PRO 32 -7.458 -2.724 6.351 254 HG2 PRO 32 2HG PRO 32 -6.215 -3.871 8.829 255 HG3 PRO 32 1HG PRO 32 -7.864 -4.085 8.194 256 HD2 PRO 32 2HD PRO 32 -6.028 -6.000 7.846 257 HD3 PRO 32 1HD PRO 32 -7.170 -5.613 6.539 258 H LYS 33 H LYS 33 -4.406 -1.132 5.247 259 HA LYS 33 HA LYS 33 -1.712 -1.170 5.919 260 HB2 LYS 33 2HB LYS 33 -2.711 0.240 4.163 261 HB3 LYS 33 1HB LYS 33 -3.571 1.180 5.377 262 HG2 LYS 33 2HG LYS 33 -1.283 1.880 6.277 263 HG3 LYS 33 1HG LYS 33 -0.590 1.124 4.840 264 HD2 LYS 33 2HD LYS 33 -0.847 3.513 4.430 265 HD3 LYS 33 1HD LYS 33 -1.987 2.630 3.410 266 HE2 LYS 33 2HE LYS 33 -3.749 3.063 5.208 267 HE3 LYS 33 1HE LYS 33 -2.581 4.138 5.974 268 HZ1 LYS 33 3HZ LYS 33 -2.569 5.523 4.038 269 HZ2 LYS 33 1HZ LYS 33 -4.170 5.305 4.534 270 HZ3 LYS 33 2HZ LYS 33 -3.575 4.461 3.195 271 H SER 34 H SER 34 -4.454 -0.228 7.842 272 HA SER 34 HA SER 34 -3.413 1.426 9.807 273 HB2 SER 34 2HB SER 34 -5.814 0.964 9.604 274 HB3 SER 34 1HB SER 34 -5.568 -0.726 10.037 275 HG SER 34 HG SER 34 -4.566 0.458 12.045 276 H GLU 35 H GLU 35 -3.460 -2.133 9.669 277 HA GLU 35 HA GLU 35 -1.726 -2.341 12.050 278 HB2 GLU 35 2HB GLU 35 -3.975 -3.758 11.533 279 HB3 GLU 35 1HB GLU 35 -2.848 -4.787 10.672 280 HG2 GLU 35 2HG GLU 35 -2.763 -4.085 13.624 281 HG3 GLU 35 1HG GLU 35 -3.238 -5.629 12.927 282 H ALA 36 H ALA 36 -0.224 -1.250 10.452 283 HA ALA 36 HA ALA 36 1.842 -3.031 9.672 284 HB1 ALA 36 1HB ALA 36 1.916 -2.526 7.243 285 HB2 ALA 36 2HB ALA 36 0.377 -1.669 7.375 286 HB3 ALA 36 3HB ALA 36 0.448 -3.406 7.677 287 H GLU 37 H GLU 37 0.363 0.144 9.185 288 HA GLU 37 HA GLU 37 2.859 1.620 9.357 289 HB2 GLU 37 2HB GLU 37 -0.071 2.473 9.231 290 HB3 GLU 37 1HB GLU 37 1.224 3.638 9.471 291 HG2 GLU 37 2HG GLU 37 1.135 1.788 7.077 292 HG3 GLU 37 1HG GLU 37 0.324 3.351 7.092 293 H GLN 38 H GLN 38 3.683 2.593 11.173 294 HA GLN 38 HA GLN 38 2.593 2.217 13.794 295 HB2 GLN 38 2HB GLN 38 4.735 4.177 12.833 296 HB3 GLN 38 1HB GLN 38 4.337 3.880 14.519 297 HG2 GLN 38 2HG GLN 38 5.654 1.983 12.569 298 HG3 GLN 38 1HG GLN 38 6.344 2.685 14.027 299 HE21 GLN 38 1HE2 GLN 38 5.505 1.930 16.094 300 HE22 GLN 38 2HE2 GLN 38 4.857 0.334 16.221 301 H LYS 39 H LYS 39 2.023 4.101 15.215 302 HA LYS 39 HA LYS 39 0.503 5.633 15.825 303 HB2 LYS 39 2HB LYS 39 2.046 7.214 14.653 304 HB3 LYS 39 1HB LYS 39 1.139 6.988 13.160 305 HG2 LYS 39 2HG LYS 39 -0.868 7.951 14.267 306 HG3 LYS 39 1HG LYS 39 0.089 8.221 15.727 307 HD2 LYS 39 2HD LYS 39 1.564 9.764 14.485 308 HD3 LYS 39 1HD LYS 39 0.640 9.475 13.006 309 HE2 LYS 39 2HE LYS 39 -0.019 11.597 14.060 310 HE3 LYS 39 1HE LYS 39 -1.362 10.452 14.068 311 HZ1 LYS 39 3HZ LYS 39 -1.130 11.608 16.186 312 HZ2 LYS 39 1HZ LYS 39 0.435 11.000 16.371 313 HZ3 LYS 39 2HZ LYS 39 -0.887 9.947 16.376 314 H LEU 40 H LEU 40 -1.079 3.994 15.724 315 HA LEU 40 HA LEU 40 -2.642 3.470 13.356 316 HB2 LEU 40 2HB LEU 40 -2.939 2.514 16.241 317 HB3 LEU 40 1HB LEU 40 -4.019 2.023 14.949 318 HG LEU 40 HG LEU 40 -2.010 1.014 13.749 319 HD11 LEU 40 1HD1 LEU 40 -0.222 2.260 14.835 320 HD12 LEU 40 2HD1 LEU 40 0.016 0.523 15.000 321 HD13 LEU 40 3HD1 LEU 40 -0.576 1.466 16.371 322 HD21 LEU 40 3HD2 LEU 40 -2.684 -0.159 16.467 323 HD22 LEU 40 1HD2 LEU 40 -1.961 -1.029 15.109 324 HD23 LEU 40 2HD2 LEU 40 -3.596 -0.388 14.974 325 HA PRO 41 HA PRO 41 -5.816 6.574 13.864 326 HB2 PRO 41 2HB PRO 41 -7.909 4.649 12.963 327 HB3 PRO 41 1HB PRO 41 -7.325 6.125 12.171 328 HG2 PRO 41 2HG PRO 41 -6.732 3.705 11.181 329 HG3 PRO 41 1HG PRO 41 -5.559 5.041 11.116 330 HD2 PRO 41 2HD PRO 41 -5.674 2.734 13.058 331 HD3 PRO 41 1HD PRO 41 -4.272 3.416 12.199 332 H LEU 42 H LEU 42 -5.533 6.384 16.264 333 HA LEU 42 HA LEU 42 -7.750 5.146 17.724 334 HB2 LEU 42 2HB LEU 42 -5.216 6.541 18.629 335 HB3 LEU 42 1HB LEU 42 -6.557 6.348 19.739 336 HG LEU 42 HG LEU 42 -6.410 3.841 19.375 337 HD11 LEU 42 1HD1 LEU 42 -4.389 2.868 18.452 338 HD12 LEU 42 2HD1 LEU 42 -3.789 4.468 18.010 339 HD13 LEU 42 3HD1 LEU 42 -5.236 3.821 17.234 340 HD21 LEU 42 3HD2 LEU 42 -3.946 5.155 20.558 341 HD22 LEU 42 1HD2 LEU 42 -4.525 3.520 20.895 342 HD23 LEU 42 2HD2 LEU 42 -5.490 4.911 21.381 343 H GLY 43 H GLY 43 -9.445 6.336 16.819 344 HA2 GLY 43 2HA GLY 43 -9.985 8.935 18.002 345 HA3 GLY 43 1HA GLY 43 -9.802 8.947 16.248 Start of MODEL 14 1 H1 GLY 1 H GLY 1 20.673 7.559 -10.608 2 HA2 GLY 1 1HA GLY 1 19.410 5.445 -12.019 3 HA3 GLY 1 2HA GLY 1 18.974 5.287 -10.326 4 H HIS 2 H HIS 2 18.061 7.219 -9.276 5 HA HIS 2 HA HIS 2 16.416 8.708 -9.019 6 HB2 HIS 2 2HB HIS 2 17.475 9.785 -11.655 7 HB3 HIS 2 1HB HIS 2 16.216 10.598 -10.738 8 HD1 HIS 2 1HD HIS 2 19.628 10.970 -11.308 9 HD2 HIS 2 2HD HIS 2 17.351 10.884 -7.825 10 HE1 HIS 2 1HE HIS 2 21.000 12.134 -9.562 11 HE2 HIS 2 2HE HIS 2 19.571 12.160 -7.503 12 H MET 3 H MET 3 15.271 6.535 -9.407 13 HA MET 3 HA MET 3 13.465 6.408 -11.663 14 HB2 MET 3 2HB MET 3 13.584 4.864 -9.033 15 HB3 MET 3 1HB MET 3 12.376 4.550 -10.275 16 HG2 MET 3 2HG MET 3 14.193 2.921 -10.400 17 HG3 MET 3 1HG MET 3 14.156 3.916 -11.857 18 HE1 MET 3 3HE MET 3 17.991 3.228 -11.497 19 HE2 MET 3 1HE MET 3 16.589 3.151 -12.565 20 HE3 MET 3 2HE MET 3 16.686 2.093 -11.153 21 HA PRO 4 HA PRO 4 10.295 9.218 -10.056 22 HB2 PRO 4 2HB PRO 4 8.387 7.357 -11.477 23 HB3 PRO 4 1HB PRO 4 8.563 9.120 -11.625 24 HG2 PRO 4 2HG PRO 4 9.484 7.569 -13.562 25 HG3 PRO 4 1HG PRO 4 10.450 8.962 -13.013 26 HD2 PRO 4 2HD PRO 4 10.815 6.041 -12.327 27 HD3 PRO 4 1HD PRO 4 12.041 7.256 -12.762 28 H LYS 5 H LYS 5 9.775 9.117 -7.952 29 HA LYS 5 HA LYS 5 8.821 6.621 -6.706 30 HB2 LYS 5 2HB LYS 5 9.579 9.249 -5.354 31 HB3 LYS 5 1HB LYS 5 9.328 7.686 -4.575 32 HG2 LYS 5 2HG LYS 5 11.337 6.788 -5.650 33 HG3 LYS 5 1HG LYS 5 11.567 8.297 -6.542 34 HD2 LYS 5 2HD LYS 5 11.694 7.979 -3.509 35 HD3 LYS 5 1HD LYS 5 13.082 8.157 -4.587 36 HE2 LYS 5 2HE LYS 5 12.340 10.414 -5.209 37 HE3 LYS 5 1HE LYS 5 10.894 10.237 -4.213 38 HZ1 LYS 5 3HZ LYS 5 13.698 10.288 -3.245 39 HZ2 LYS 5 1HZ LYS 5 12.341 10.016 -2.269 40 HZ3 LYS 5 2HZ LYS 5 12.539 11.503 -3.049 41 H ILE 6 H ILE 6 6.682 6.490 -7.235 42 HA ILE 6 HA ILE 6 4.843 8.760 -6.933 43 HB ILE 6 HB ILE 6 4.138 5.894 -7.726 44 HG12 ILE 6 2HG1 ILE 6 5.911 6.710 -9.276 45 HG13 ILE 6 1HG1 ILE 6 4.375 6.509 -10.107 46 HG21 ILE 6 1HG2 ILE 6 2.189 6.933 -8.853 47 HG22 ILE 6 2HG2 ILE 6 2.703 8.520 -8.272 48 HG23 ILE 6 3HG2 ILE 6 2.208 7.277 -7.120 49 HD11 ILE 6 3HD1 ILE 6 4.042 8.934 -10.064 50 HD12 ILE 6 1HD1 ILE 6 5.562 8.487 -10.839 51 HD13 ILE 6 2HD1 ILE 6 5.570 9.125 -9.198 52 H ASN 7 H ASN 7 3.874 9.101 -4.974 53 HA ASN 7 HA ASN 7 3.100 8.945 -2.890 54 HB2 ASN 7 2HB ASN 7 2.659 6.028 -3.607 55 HB3 ASN 7 1HB ASN 7 2.159 6.728 -2.080 56 HD21 ASN 7 1HD2 ASN 7 -0.025 6.342 -2.444 57 HD22 ASN 7 2HD2 ASN 7 -0.942 7.201 -3.631 58 H GLU 8 H GLU 8 3.462 7.973 -0.675 59 HA GLU 8 HA GLU 8 6.323 7.733 -0.203 60 HB2 GLU 8 2HB GLU 8 4.706 9.196 1.117 61 HB3 GLU 8 1HB GLU 8 4.036 7.732 1.816 62 HG2 GLU 8 2HG GLU 8 6.962 8.486 2.113 63 HG3 GLU 8 1HG GLU 8 5.730 9.093 3.210 64 H ASP 9 H ASP 9 3.544 5.640 -0.261 65 HA ASP 9 HA ASP 9 3.144 3.453 -0.077 66 HB2 ASP 9 2HB ASP 9 6.118 3.271 -0.535 67 HB3 ASP 9 1HB ASP 9 5.051 1.877 -0.551 68 H TRP 10 H TRP 10 4.069 1.261 1.081 69 HA TRP 10 HA TRP 10 5.010 1.778 3.780 70 HB2 TRP 10 2HB TRP 10 3.092 0.613 4.874 71 HB3 TRP 10 1HB TRP 10 2.648 2.143 4.138 72 HD1 TRP 10 HD TRP 10 1.143 2.005 1.860 73 HE1 TRP 10 1HE TRP 10 -0.605 0.270 1.132 74 HE3 TRP 10 3HE TRP 10 2.533 -1.862 4.892 75 HZ2 TRP 10 2HZ TRP 10 -1.324 -2.369 1.770 76 HZ3 TRP 10 3HZ TRP 10 1.253 -3.960 4.781 77 HH2 TRP 10 HH TRP 10 -0.636 -4.209 3.253 78 H LEU 11 H LEU 11 5.138 -0.279 5.046 79 HA LEU 11 HA LEU 11 6.059 -2.546 3.378 80 HB2 LEU 11 2HB LEU 11 7.775 -0.871 4.636 81 HB3 LEU 11 1HB LEU 11 7.370 -1.851 6.022 82 HG LEU 11 HG LEU 11 9.464 -2.616 5.094 83 HD11 LEU 11 1HD1 LEU 11 8.060 -4.394 5.979 84 HD12 LEU 11 2HD1 LEU 11 9.072 -4.971 4.658 85 HD13 LEU 11 3HD1 LEU 11 7.355 -4.660 4.380 86 HD21 LEU 11 3HD2 LEU 11 9.750 -3.403 2.806 87 HD22 LEU 11 1HD2 LEU 11 9.236 -1.717 2.838 88 HD23 LEU 11 2HD2 LEU 11 8.077 -2.985 2.430 89 H CYS 12 H CYS 12 5.082 -4.433 3.974 90 HA CYS 12 HA CYS 12 3.002 -4.653 5.845 91 HB2 CYS 12 2HB CYS 12 4.634 -6.774 4.412 92 HB3 CYS 12 1HB CYS 12 3.178 -7.127 5.328 93 H ASN 13 H ASN 13 2.827 -5.894 7.766 94 HA ASN 13 HA ASN 13 5.320 -6.251 9.311 95 HB2 ASN 13 2HB ASN 13 3.851 -6.236 11.336 96 HB3 ASN 13 1HB ASN 13 3.784 -4.751 10.398 97 HD21 ASN 13 1HD2 ASN 13 1.812 -4.189 11.382 98 HD22 ASN 13 2HD2 ASN 13 0.323 -4.951 10.949 99 H LYS 14 H LYS 14 2.554 -7.953 8.012 100 HA LYS 14 HA LYS 14 3.022 -10.422 9.463 101 HB2 LYS 14 2HB LYS 14 1.142 -9.670 7.203 102 HB3 LYS 14 1HB LYS 14 1.262 -11.318 7.815 103 HG2 LYS 14 2HG LYS 14 0.503 -10.584 10.025 104 HG3 LYS 14 1HG LYS 14 0.457 -8.904 9.482 105 HD2 LYS 14 2HD LYS 14 -1.814 -9.932 9.493 106 HD3 LYS 14 1HD LYS 14 -1.325 -9.432 7.875 107 HE2 LYS 14 2HE LYS 14 -0.685 -11.816 7.392 108 HE3 LYS 14 1HE LYS 14 -1.321 -12.265 8.976 109 HZ1 LYS 14 3HZ LYS 14 -2.972 -12.680 7.330 110 HZ2 LYS 14 1HZ LYS 14 -2.844 -11.112 6.705 111 HZ3 LYS 14 2HZ LYS 14 -3.484 -11.357 8.249 112 H CYS 15 H CYS 15 2.855 -9.983 5.835 113 HA CYS 15 HA CYS 15 4.694 -12.127 5.373 114 HB2 CYS 15 2HB CYS 15 4.552 -11.436 3.017 115 HB3 CYS 15 1HB CYS 15 2.957 -11.495 3.762 116 H GLY 16 H GLY 16 5.002 -8.621 5.585 117 HA2 GLY 16 2HA GLY 16 6.839 -7.303 6.002 118 HA3 GLY 16 1HA GLY 16 7.857 -8.739 5.995 119 H VAL 17 H VAL 17 5.720 -7.815 3.331 120 HA VAL 17 HA VAL 17 8.059 -7.357 1.573 121 HB VAL 17 HB VAL 17 6.720 -7.860 -0.325 122 HG11 VAL 17 1HG1 VAL 17 5.814 -10.102 0.130 123 HG12 VAL 17 2HG1 VAL 17 5.842 -9.767 1.867 124 HG13 VAL 17 3HG1 VAL 17 7.357 -9.848 0.956 125 HG21 VAL 17 3HG2 VAL 17 4.255 -8.181 -0.290 126 HG22 VAL 17 1HG2 VAL 17 4.711 -6.541 0.180 127 HG23 VAL 17 2HG2 VAL 17 4.220 -7.706 1.411 128 H GLN 18 H GLN 18 7.682 -5.661 -0.185 129 HA GLN 18 HA GLN 18 6.741 -3.165 1.009 130 HB2 GLN 18 2HB GLN 18 8.976 -3.385 -0.183 131 HB3 GLN 18 1HB GLN 18 8.102 -3.592 -1.691 132 HG2 GLN 18 2HG GLN 18 7.803 -1.119 0.052 133 HG3 GLN 18 1HG GLN 18 9.056 -1.267 -1.183 134 HE21 GLN 18 1HE2 GLN 18 6.739 0.576 -0.905 135 HE22 GLN 18 2HE2 GLN 18 5.881 0.457 -2.398 136 H ASN 19 H ASN 19 4.785 -2.346 0.583 137 HA ASN 19 HA ASN 19 3.354 -3.060 -1.914 138 HB2 ASN 19 2HB ASN 19 2.272 -2.707 0.904 139 HB3 ASN 19 1HB ASN 19 1.236 -2.428 -0.487 140 HD21 ASN 19 1HD2 ASN 19 3.069 -4.834 1.260 141 HD22 ASN 19 2HD2 ASN 19 2.253 -6.194 0.583 142 H PHE 20 H PHE 20 2.448 -1.427 -3.059 143 HA PHE 20 HA PHE 20 3.245 1.264 -2.764 144 HB2 PHE 20 2HB PHE 20 2.503 0.069 -4.902 145 HB3 PHE 20 1HB PHE 20 0.844 0.215 -4.342 146 HD1 PHE 20 2HD PHE 20 3.781 2.038 -5.639 147 HD2 PHE 20 1HD PHE 20 -0.305 2.394 -4.413 148 HE1 PHE 20 2HE PHE 20 3.651 4.269 -6.653 149 HE2 PHE 20 1HE PHE 20 -0.410 4.617 -5.444 150 HZ PHE 20 HZ PHE 20 1.559 5.554 -6.551 151 H LYS 21 H LYS 21 1.826 3.148 -2.176 152 HA LYS 21 HA LYS 21 0.669 2.641 0.348 153 HB2 LYS 21 2HB LYS 21 1.834 4.816 -0.681 154 HB3 LYS 21 1HB LYS 21 0.163 5.302 -0.940 155 HG2 LYS 21 2HG LYS 21 -0.316 5.157 1.432 156 HG3 LYS 21 1HG LYS 21 1.244 4.389 1.747 157 HD2 LYS 21 2HD LYS 21 2.347 6.530 0.932 158 HD3 LYS 21 1HD LYS 21 0.742 7.272 0.913 159 HE2 LYS 21 2HE LYS 21 1.907 7.835 2.990 160 HE3 LYS 21 1HE LYS 21 0.527 6.793 3.346 161 HZ1 LYS 21 3HZ LYS 21 3.311 5.800 3.055 162 HZ2 LYS 21 1HZ LYS 21 1.967 4.933 3.605 163 HZ3 LYS 21 2HZ LYS 21 2.601 6.192 4.537 164 H ARG 22 H ARG 22 -0.765 2.738 -2.768 165 HA ARG 22 HA ARG 22 -3.457 3.284 -1.796 166 HB2 ARG 22 2HB ARG 22 -2.391 2.744 -4.595 167 HB3 ARG 22 1HB ARG 22 -4.079 3.093 -4.226 168 HG2 ARG 22 2HG ARG 22 -1.739 4.968 -3.688 169 HG3 ARG 22 1HG ARG 22 -2.847 5.084 -5.055 170 HD2 ARG 22 2HD ARG 22 -4.732 5.420 -3.453 171 HD3 ARG 22 1HD ARG 22 -3.576 5.392 -2.121 172 HE ARG 22 HE ARG 22 -2.937 7.531 -2.631 173 HH11 ARG 22 1HH1 ARG 22 -4.896 6.349 -5.315 174 HH12 ARG 22 2HH1 ARG 22 -5.006 7.904 -6.065 175 HH21 ARG 22 1HH2 ARG 22 -3.122 9.554 -3.624 176 HH22 ARG 22 2HH2 ARG 22 -4.003 9.719 -5.111 177 H ARG 23 H ARG 23 -1.430 0.537 -2.136 178 HA ARG 23 HA ARG 23 -3.486 -1.451 -2.027 179 HB2 ARG 23 2HB ARG 23 -0.641 -1.359 -0.951 180 HB3 ARG 23 1HB ARG 23 -1.715 -2.635 -0.423 181 HG2 ARG 23 2HG ARG 23 -0.366 -3.525 -2.158 182 HG3 ARG 23 1HG ARG 23 -1.987 -3.321 -2.808 183 HD2 ARG 23 2HD ARG 23 -1.320 -1.393 -4.083 184 HD3 ARG 23 1HD ARG 23 0.251 -1.344 -3.268 185 HE ARG 23 HE ARG 23 0.436 -3.731 -4.332 186 HH11 ARG 23 1HH1 ARG 23 -0.899 -0.883 -5.924 187 HH12 ARG 23 2HH1 ARG 23 -0.454 -1.425 -7.506 188 HH21 ARG 23 1HH2 ARG 23 1.014 -4.406 -6.397 189 HH22 ARG 23 2HH2 ARG 23 0.634 -3.423 -7.777 190 H GLU 24 H GLU 24 -5.170 -0.768 -0.806 191 HA GLU 24 HA GLU 24 -5.068 0.490 1.733 192 HB2 GLU 24 2HB GLU 24 -7.035 0.496 0.184 193 HB3 GLU 24 1HB GLU 24 -7.277 -1.219 0.509 194 HG2 GLU 24 2HG GLU 24 -7.742 -0.706 2.884 195 HG3 GLU 24 1HG GLU 24 -7.484 1.011 2.563 196 H LYS 25 H LYS 25 -5.209 -2.852 0.662 197 HA LYS 25 HA LYS 25 -4.138 -3.796 3.265 198 HB2 LYS 25 2HB LYS 25 -5.977 -5.321 1.344 199 HB3 LYS 25 1HB LYS 25 -5.253 -5.985 2.809 200 HG2 LYS 25 2HG LYS 25 -6.609 -4.567 4.218 201 HG3 LYS 25 1HG LYS 25 -7.191 -3.641 2.831 202 HD2 LYS 25 2HD LYS 25 -8.908 -5.237 3.630 203 HD3 LYS 25 1HD LYS 25 -8.397 -5.607 1.982 204 HE2 LYS 25 2HE LYS 25 -6.876 -7.382 2.919 205 HE3 LYS 25 1HE LYS 25 -7.549 -7.053 4.517 206 HZ1 LYS 25 3HZ LYS 25 -9.095 -7.981 2.158 207 HZ2 LYS 25 1HZ LYS 25 -9.718 -7.709 3.702 208 HZ3 LYS 25 2HZ LYS 25 -8.603 -8.952 3.448 209 H CYS 26 H CYS 26 -2.535 -5.587 2.948 210 HA CYS 26 HA CYS 26 -0.758 -5.317 0.788 211 HB2 CYS 26 2HB CYS 26 0.008 -6.327 2.862 212 HB3 CYS 26 1HB CYS 26 -1.142 -7.660 2.703 213 H PHE 27 H PHE 27 -0.504 -6.408 -1.132 214 HA PHE 27 HA PHE 27 -2.896 -6.978 -2.476 215 HB2 PHE 27 2HB PHE 27 -1.579 -7.225 -4.462 216 HB3 PHE 27 1HB PHE 27 -0.791 -6.010 -3.479 217 HD1 PHE 27 1HD PHE 27 1.309 -6.661 -2.140 218 HD2 PHE 27 2HD PHE 27 -0.374 -9.154 -5.195 219 HE1 PHE 27 1HE PHE 27 3.440 -7.857 -2.358 220 HE2 PHE 27 2HE PHE 27 1.763 -10.337 -5.391 221 HZ PHE 27 HZ PHE 27 3.668 -9.691 -3.979 222 H LYS 28 H LYS 28 -0.905 -9.142 -0.682 223 HA LYS 28 HA LYS 28 -2.491 -11.439 -1.625 224 HB2 LYS 28 2HB LYS 28 -0.450 -12.866 -1.687 225 HB3 LYS 28 1HB LYS 28 -0.432 -11.585 -2.878 226 HG2 LYS 28 2HG LYS 28 1.757 -11.500 -2.134 227 HG3 LYS 28 1HG LYS 28 1.018 -10.283 -1.094 228 HD2 LYS 28 2HD LYS 28 0.859 -12.000 0.715 229 HD3 LYS 28 1HD LYS 28 1.626 -13.186 -0.347 230 HE2 LYS 28 2HE LYS 28 3.192 -12.170 1.268 231 HE3 LYS 28 1HE LYS 28 3.654 -11.864 -0.406 232 HZ1 LYS 28 3HZ LYS 28 2.822 -9.650 -0.253 233 HZ2 LYS 28 1HZ LYS 28 3.834 -9.914 1.071 234 HZ3 LYS 28 2HZ LYS 28 2.161 -9.923 1.281 235 H CYS 29 H CYS 29 -0.468 -10.051 0.974 236 HA CYS 29 HA CYS 29 -0.987 -12.199 2.824 237 HB2 CYS 29 2HB CYS 29 1.153 -11.093 2.784 238 HB3 CYS 29 1HB CYS 29 0.412 -9.523 2.992 239 H GLY 30 H GLY 30 -2.345 -9.066 2.084 240 HA2 GLY 30 2HA GLY 30 -4.413 -8.246 2.514 241 HA3 GLY 30 1HA GLY 30 -4.781 -9.710 3.407 242 H VAL 31 H VAL 31 -1.973 -8.063 4.599 243 HA VAL 31 HA VAL 31 -3.283 -7.262 6.998 244 HB VAL 31 HB VAL 31 -0.931 -7.786 7.205 245 HG11 VAL 31 1HG1 VAL 31 -0.291 -5.483 5.334 246 HG12 VAL 31 2HG1 VAL 31 -0.125 -7.201 4.963 247 HG13 VAL 31 3HG1 VAL 31 0.890 -6.469 6.208 248 HG21 VAL 31 3HG2 VAL 31 -0.087 -5.830 8.442 249 HG22 VAL 31 1HG2 VAL 31 -1.805 -6.077 8.766 250 HG23 VAL 31 2HG2 VAL 31 -1.291 -4.797 7.664 251 HA PRO 32 HA PRO 32 -4.962 -3.412 5.329 252 HB2 PRO 32 2HB PRO 32 -6.037 -2.441 7.679 253 HB3 PRO 32 1HB PRO 32 -6.808 -3.746 6.747 254 HG2 PRO 32 2HG PRO 32 -5.002 -3.969 9.153 255 HG3 PRO 32 1HG PRO 32 -6.550 -4.787 8.836 256 HD2 PRO 32 2HD PRO 32 -4.218 -6.054 8.408 257 HD3 PRO 32 1HD PRO 32 -5.606 -6.306 7.322 258 H LYS 33 H LYS 33 -4.271 -1.292 5.277 259 HA LYS 33 HA LYS 33 -1.748 -0.554 6.279 260 HB2 LYS 33 2HB LYS 33 -2.956 0.387 4.216 261 HB3 LYS 33 1HB LYS 33 -3.906 1.372 5.323 262 HG2 LYS 33 2HG LYS 33 -1.569 2.213 6.189 263 HG3 LYS 33 1HG LYS 33 -0.953 1.540 4.680 264 HD2 LYS 33 2HD LYS 33 -1.327 3.857 4.276 265 HD3 LYS 33 1HD LYS 33 -2.638 3.004 3.462 266 HE2 LYS 33 2HE LYS 33 -2.944 4.191 6.238 267 HE3 LYS 33 1HE LYS 33 -3.276 5.114 4.776 268 HZ1 LYS 33 3HZ LYS 33 -4.655 2.626 5.625 269 HZ2 LYS 33 1HZ LYS 33 -4.946 3.462 4.185 270 HZ3 LYS 33 2HZ LYS 33 -5.284 4.192 5.668 271 H SER 34 H SER 34 -4.941 -0.399 7.640 272 HA SER 34 HA SER 34 -4.738 1.537 9.630 273 HB2 SER 34 2HB SER 34 -6.822 0.325 8.959 274 HB3 SER 34 1HB SER 34 -6.224 -1.118 9.787 275 HG SER 34 HG SER 34 -6.326 0.009 11.736 276 H GLU 35 H GLU 35 -3.586 -1.807 9.556 277 HA GLU 35 HA GLU 35 -2.454 -1.620 12.283 278 HB2 GLU 35 2HB GLU 35 -2.929 -4.029 10.463 279 HB3 GLU 35 1HB GLU 35 -2.171 -4.115 12.057 280 HG2 GLU 35 2HG GLU 35 -4.220 -3.317 13.124 281 HG3 GLU 35 1HG GLU 35 -4.984 -3.085 11.553 282 H ALA 36 H ALA 36 -1.536 -1.181 9.086 283 HA ALA 36 HA ALA 36 1.299 -1.862 9.490 284 HB1 ALA 36 1HB ALA 36 -0.108 -0.758 7.030 285 HB2 ALA 36 2HB ALA 36 0.244 -2.462 7.328 286 HB3 ALA 36 3HB ALA 36 1.567 -1.313 7.113 287 H GLU 37 H GLU 37 2.808 -0.121 8.528 288 HA GLU 37 HA GLU 37 3.990 1.726 8.841 289 HB2 GLU 37 2HB GLU 37 1.290 3.113 8.840 290 HB3 GLU 37 1HB GLU 37 2.838 3.959 8.785 291 HG2 GLU 37 2HG GLU 37 3.339 2.668 6.649 292 HG3 GLU 37 1HG GLU 37 1.665 2.112 6.673 293 H GLN 38 H GLN 38 5.072 2.602 10.519 294 HA GLN 38 HA GLN 38 4.128 2.388 13.229 295 HB2 GLN 38 2HB GLN 38 6.538 2.165 12.648 296 HB3 GLN 38 1HB GLN 38 6.570 3.837 12.095 297 HG2 GLN 38 2HG GLN 38 6.033 4.572 14.433 298 HG3 GLN 38 1HG GLN 38 6.103 2.885 14.945 299 HE21 GLN 38 1HE2 GLN 38 8.137 1.843 15.052 300 HE22 GLN 38 2HE2 GLN 38 9.620 2.729 15.025 301 H LYS 39 H LYS 39 2.311 3.604 13.487 302 HA LYS 39 HA LYS 39 0.868 5.316 13.729 303 HB2 LYS 39 2HB LYS 39 2.635 6.547 14.930 304 HB3 LYS 39 1HB LYS 39 3.309 7.117 13.407 305 HG2 LYS 39 2HG LYS 39 1.101 8.317 13.006 306 HG3 LYS 39 1HG LYS 39 0.661 7.901 14.665 307 HD2 LYS 39 2HD LYS 39 2.653 9.170 15.489 308 HD3 LYS 39 1HD LYS 39 3.066 9.582 13.821 309 HE2 LYS 39 2HE LYS 39 0.851 10.765 13.643 310 HE3 LYS 39 1HE LYS 39 0.604 10.458 15.367 311 HZ1 LYS 39 3HZ LYS 39 1.498 12.644 15.031 312 HZ2 LYS 39 1HZ LYS 39 2.811 12.032 14.157 313 HZ3 LYS 39 2HZ LYS 39 2.654 11.688 15.801 314 H LEU 40 H LEU 40 -0.614 5.622 12.157 315 HA LEU 40 HA LEU 40 0.039 5.768 9.371 316 HB2 LEU 40 2HB LEU 40 -2.570 6.013 10.896 317 HB3 LEU 40 1HB LEU 40 -2.502 6.242 9.157 318 HG LEU 40 HG LEU 40 -1.513 3.876 9.003 319 HD11 LEU 40 1HD1 LEU 40 -0.837 3.551 11.322 320 HD12 LEU 40 2HD1 LEU 40 -1.994 2.316 10.831 321 HD13 LEU 40 3HD1 LEU 40 -2.521 3.657 11.852 322 HD21 LEU 40 3HD2 LEU 40 -4.356 4.181 9.996 323 HD22 LEU 40 1HD2 LEU 40 -3.716 2.834 9.052 324 HD23 LEU 40 2HD2 LEU 40 -3.799 4.442 8.340 325 HA PRO 41 HA PRO 41 -0.120 10.283 8.623 326 HB2 PRO 41 2HB PRO 41 -1.519 10.347 6.206 327 HB3 PRO 41 1HB PRO 41 0.217 9.982 6.334 328 HG2 PRO 41 2HG PRO 41 -2.095 8.069 6.085 329 HG3 PRO 41 1HG PRO 41 -0.515 8.028 5.268 330 HD2 PRO 41 2HD PRO 41 -1.029 6.446 7.393 331 HD3 PRO 41 1HD PRO 41 0.587 7.151 7.146 332 H LEU 42 H LEU 42 -1.444 11.614 9.704 333 HA LEU 42 HA LEU 42 -4.038 10.912 10.620 334 HB2 LEU 42 2HB LEU 42 -2.259 12.423 11.741 335 HB3 LEU 42 1HB LEU 42 -2.781 13.697 10.665 336 HG LEU 42 HG LEU 42 -3.686 13.889 12.989 337 HD11 LEU 42 1HD1 LEU 42 -5.982 14.446 12.467 338 HD12 LEU 42 2HD1 LEU 42 -5.895 13.533 10.959 339 HD13 LEU 42 3HD1 LEU 42 -4.905 14.978 11.176 340 HD21 LEU 42 3HD2 LEU 42 -3.900 11.515 13.506 341 HD22 LEU 42 1HD2 LEU 42 -5.236 11.364 12.361 342 HD23 LEU 42 2HD2 LEU 42 -5.412 12.367 13.804 343 H GLY 43 H GLY 43 -2.868 13.282 8.236 344 HA2 GLY 43 2HA GLY 43 -5.561 13.641 7.095 345 HA3 GLY 43 1HA GLY 43 -4.118 14.570 6.698 Start of MODEL 15 1 H1 GLY 1 H GLY 1 17.049 3.266 -10.692 2 HA2 GLY 1 1HA GLY 1 18.402 2.159 -8.446 3 HA3 GLY 1 2HA GLY 1 18.901 3.840 -8.621 4 H HIS 2 H HIS 2 17.850 3.929 -6.463 5 HA HIS 2 HA HIS 2 15.026 4.766 -6.740 6 HB2 HIS 2 2HB HIS 2 16.146 3.152 -4.390 7 HB3 HIS 2 1HB HIS 2 14.534 3.850 -4.457 8 HD1 HIS 2 1HD HIS 2 12.751 2.610 -5.889 9 HD2 HIS 2 2HD HIS 2 16.482 0.766 -5.912 10 HE1 HIS 2 1HE HIS 2 12.381 0.325 -6.867 11 HE2 HIS 2 2HE HIS 2 14.662 -0.744 -6.926 12 H MET 3 H MET 3 14.705 6.795 -5.924 13 HA MET 3 HA MET 3 16.717 8.311 -4.541 14 HB2 MET 3 2HB MET 3 13.724 8.855 -4.886 15 HB3 MET 3 1HB MET 3 14.883 10.021 -4.266 16 HG2 MET 3 2HG MET 3 16.055 10.001 -6.434 17 HG3 MET 3 1HG MET 3 14.862 8.858 -7.063 18 HE1 MET 3 3HE MET 3 13.911 12.222 -8.898 19 HE2 MET 3 1HE MET 3 14.354 10.530 -9.118 20 HE3 MET 3 2HE MET 3 15.539 11.683 -8.494 21 HA PRO 4 HA PRO 4 16.270 7.201 -0.183 22 HB2 PRO 4 2HB PRO 4 15.575 9.764 0.922 23 HB3 PRO 4 1HB PRO 4 17.203 9.072 0.768 24 HG2 PRO 4 2HG PRO 4 15.777 10.967 -1.052 25 HG3 PRO 4 1HG PRO 4 17.498 10.908 -0.614 26 HD2 PRO 4 2HD PRO 4 16.732 10.048 -3.008 27 HD3 PRO 4 1HD PRO 4 17.946 9.113 -2.103 28 H LYS 5 H LYS 5 13.712 9.408 -1.330 29 HA LYS 5 HA LYS 5 11.724 7.362 -0.786 30 HB2 LYS 5 2HB LYS 5 11.710 8.719 1.323 31 HB3 LYS 5 1HB LYS 5 11.376 10.163 0.377 32 HG2 LYS 5 2HG LYS 5 9.241 9.000 -0.421 33 HG3 LYS 5 1HG LYS 5 9.560 7.757 0.788 34 HD2 LYS 5 2HD LYS 5 7.956 9.347 1.681 35 HD3 LYS 5 1HD LYS 5 9.475 9.518 2.563 36 HE2 LYS 5 2HE LYS 5 10.025 11.524 1.261 37 HE3 LYS 5 1HE LYS 5 8.565 11.311 0.290 38 HZ1 LYS 5 3HZ LYS 5 8.613 11.822 3.219 39 HZ2 LYS 5 1HZ LYS 5 7.227 11.647 2.261 40 HZ3 LYS 5 2HZ LYS 5 8.260 12.966 2.028 41 H ILE 6 H ILE 6 11.509 7.239 -3.005 42 HA ILE 6 HA ILE 6 10.175 9.515 -4.365 43 HB ILE 6 HB ILE 6 12.133 8.579 -5.577 44 HG12 ILE 6 2HG1 ILE 6 9.510 7.996 -7.033 45 HG13 ILE 6 1HG1 ILE 6 10.258 9.578 -6.873 46 HG21 ILE 6 1HG2 ILE 6 12.124 6.318 -6.538 47 HG22 ILE 6 2HG2 ILE 6 10.605 5.962 -5.711 48 HG23 ILE 6 3HG2 ILE 6 12.071 6.269 -4.775 49 HD11 ILE 6 3HD1 ILE 6 11.394 7.222 -8.378 50 HD12 ILE 6 1HD1 ILE 6 12.176 8.794 -8.183 51 HD13 ILE 6 2HD1 ILE 6 10.657 8.669 -9.067 52 H ASN 7 H ASN 7 9.601 6.582 -2.760 53 HA ASN 7 HA ASN 7 6.888 6.313 -3.935 54 HB2 ASN 7 2HB ASN 7 6.935 3.957 -3.337 55 HB3 ASN 7 1HB ASN 7 8.389 4.317 -4.252 56 HD21 ASN 7 1HD2 ASN 7 7.109 3.266 -1.225 57 HD22 ASN 7 2HD2 ASN 7 8.622 2.895 -0.480 58 H GLU 8 H GLU 8 5.177 6.649 -2.586 59 HA GLU 8 HA GLU 8 5.781 7.538 0.176 60 HB2 GLU 8 2HB GLU 8 4.687 9.055 -1.667 61 HB3 GLU 8 1HB GLU 8 3.220 8.143 -1.349 62 HG2 GLU 8 2HG GLU 8 3.173 10.224 -0.100 63 HG3 GLU 8 1HG GLU 8 3.292 8.867 1.022 64 H ASP 9 H ASP 9 5.080 4.756 -1.012 65 HA ASP 9 HA ASP 9 2.654 3.814 -0.008 66 HB2 ASP 9 2HB ASP 9 5.135 2.091 -0.346 67 HB3 ASP 9 1HB ASP 9 3.454 1.643 -0.623 68 H TRP 10 H TRP 10 2.639 1.888 1.532 69 HA TRP 10 HA TRP 10 4.123 2.457 4.029 70 HB2 TRP 10 2HB TRP 10 2.262 1.169 5.147 71 HB3 TRP 10 1HB TRP 10 1.764 2.690 4.412 72 HD1 TRP 10 HD TRP 10 0.137 2.538 2.238 73 HE1 TRP 10 1HE TRP 10 -1.433 0.662 1.442 74 HE3 TRP 10 3HE TRP 10 2.107 -1.365 4.884 75 HZ2 TRP 10 2HZ TRP 10 -1.791 -2.092 1.875 76 HZ3 TRP 10 3HZ TRP 10 1.095 -3.592 4.630 77 HH2 TRP 10 HH TRP 10 -0.813 -3.949 3.152 78 H LEU 11 H LEU 11 4.758 0.640 5.259 79 HA LEU 11 HA LEU 11 5.591 -1.717 3.671 80 HB2 LEU 11 2HB LEU 11 7.276 0.079 4.701 81 HB3 LEU 11 1HB LEU 11 6.958 -0.733 6.214 82 HG LEU 11 HG LEU 11 9.096 -1.417 5.089 83 HD11 LEU 11 1HD1 LEU 11 8.901 -3.823 5.409 84 HD12 LEU 11 2HD1 LEU 11 7.139 -3.692 5.428 85 HD13 LEU 11 3HD1 LEU 11 8.098 -2.933 6.702 86 HD21 LEU 11 3HD2 LEU 11 7.306 -2.656 2.982 87 HD22 LEU 11 1HD2 LEU 11 9.059 -2.841 3.098 88 HD23 LEU 11 2HD2 LEU 11 8.359 -1.258 2.759 89 H CYS 12 H CYS 12 5.003 -3.740 4.529 90 HA CYS 12 HA CYS 12 2.928 -3.774 6.541 91 HB2 CYS 12 2HB CYS 12 2.723 -5.269 4.619 92 HB3 CYS 12 1HB CYS 12 4.266 -6.023 4.981 93 H ASN 13 H ASN 13 3.010 -5.521 8.260 94 HA ASN 13 HA ASN 13 5.654 -5.719 9.600 95 HB2 ASN 13 2HB ASN 13 4.408 -5.775 11.766 96 HB3 ASN 13 1HB ASN 13 4.151 -4.267 10.896 97 HD21 ASN 13 1HD2 ASN 13 2.159 -3.979 9.795 98 HD22 ASN 13 2HD2 ASN 13 0.726 -4.798 10.301 99 H LYS 14 H LYS 14 2.705 -7.350 8.569 100 HA LYS 14 HA LYS 14 3.293 -9.889 9.788 101 HB2 LYS 14 2HB LYS 14 1.391 -9.283 7.480 102 HB3 LYS 14 1HB LYS 14 1.444 -10.773 8.416 103 HG2 LYS 14 2HG LYS 14 0.989 -9.105 10.445 104 HG3 LYS 14 1HG LYS 14 0.343 -8.080 9.166 105 HD2 LYS 14 2HD LYS 14 -0.610 -10.862 9.971 106 HD3 LYS 14 1HD LYS 14 -1.460 -9.337 10.193 107 HE2 LYS 14 2HE LYS 14 -2.577 -10.185 8.352 108 HE3 LYS 14 1HE LYS 14 -1.339 -9.233 7.548 109 HZ1 LYS 14 3HZ LYS 14 -1.504 -11.339 6.497 110 HZ2 LYS 14 1HZ LYS 14 -1.343 -12.165 7.962 111 HZ3 LYS 14 2HZ LYS 14 -0.034 -11.308 7.332 112 H CYS 15 H CYS 15 3.120 -9.020 6.216 113 HA CYS 15 HA CYS 15 5.081 -11.078 5.603 114 HB2 CYS 15 2HB CYS 15 4.765 -10.227 3.264 115 HB3 CYS 15 1HB CYS 15 3.277 -10.736 4.049 116 H GLY 16 H GLY 16 4.935 -7.560 5.736 117 HA2 GLY 16 2HA GLY 16 6.630 -6.016 6.061 118 HA3 GLY 16 1HA GLY 16 7.830 -7.292 5.901 119 H VAL 17 H VAL 17 5.276 -6.667 3.522 120 HA VAL 17 HA VAL 17 7.308 -6.118 1.464 121 HB VAL 17 HB VAL 17 5.597 -6.518 -0.223 122 HG11 VAL 17 1HG1 VAL 17 5.020 -8.865 0.240 123 HG12 VAL 17 2HG1 VAL 17 5.420 -8.632 1.945 124 HG13 VAL 17 3HG1 VAL 17 6.682 -8.502 0.716 125 HG21 VAL 17 3HG2 VAL 17 3.578 -6.736 2.044 126 HG22 VAL 17 1HG2 VAL 17 3.249 -7.103 0.346 127 HG23 VAL 17 2HG2 VAL 17 3.654 -5.457 0.833 128 H GLN 18 H GLN 18 7.239 -4.332 0.086 129 HA GLN 18 HA GLN 18 5.779 -1.942 0.912 130 HB2 GLN 18 2HB GLN 18 8.116 -1.661 0.164 131 HB3 GLN 18 1HB GLN 18 7.750 -2.444 -1.364 132 HG2 GLN 18 2HG GLN 18 6.169 -0.538 -1.836 133 HG3 GLN 18 1HG GLN 18 6.809 0.273 -0.410 134 HE21 GLN 18 1HE2 GLN 18 6.933 1.072 -3.260 135 HE22 GLN 18 2HE2 GLN 18 8.611 1.268 -3.605 136 H ASN 19 H ASN 19 3.700 -1.857 0.283 137 HA ASN 19 HA ASN 19 2.723 -3.038 -2.219 138 HB2 ASN 19 2HB ASN 19 1.316 -1.570 0.055 139 HB3 ASN 19 1HB ASN 19 0.492 -2.113 -1.400 140 HD21 ASN 19 1HD2 ASN 19 2.082 -3.169 1.542 141 HD22 ASN 19 2HD2 ASN 19 1.504 -4.795 1.480 142 H PHE 20 H PHE 20 0.821 -1.123 -3.032 143 HA PHE 20 HA PHE 20 2.639 0.943 -4.127 144 HB2 PHE 20 2HB PHE 20 1.626 -0.773 -5.711 145 HB3 PHE 20 1HB PHE 20 0.048 -0.073 -5.364 146 HD1 PHE 20 2HD PHE 20 3.473 1.230 -6.245 147 HD2 PHE 20 1HD PHE 20 -0.729 1.395 -7.057 148 HE1 PHE 20 2HE PHE 20 3.868 2.940 -7.985 149 HE2 PHE 20 1HE PHE 20 -0.320 3.111 -8.781 150 HZ PHE 20 HZ PHE 20 1.973 3.876 -9.248 151 H LYS 21 H LYS 21 1.538 1.439 -1.624 152 HA LYS 21 HA LYS 21 0.215 2.635 -0.266 153 HB2 LYS 21 2HB LYS 21 1.545 4.335 -1.662 154 HB3 LYS 21 1HB LYS 21 0.040 4.659 -2.520 155 HG2 LYS 21 2HG LYS 21 -1.013 5.318 -0.366 156 HG3 LYS 21 1HG LYS 21 0.531 5.014 0.445 157 HD2 LYS 21 2HD LYS 21 1.601 6.783 -0.900 158 HD3 LYS 21 1HD LYS 21 0.085 7.061 -1.767 159 HE2 LYS 21 2HE LYS 21 0.567 7.521 1.196 160 HE3 LYS 21 1HE LYS 21 0.429 8.771 -0.042 161 HZ1 LYS 21 3HZ LYS 21 -1.709 6.916 0.868 162 HZ2 LYS 21 1HZ LYS 21 -1.868 7.970 -0.454 163 HZ3 LYS 21 2HZ LYS 21 -1.636 8.590 1.103 164 H ARG 22 H ARG 22 -1.328 3.320 -3.383 165 HA ARG 22 HA ARG 22 -3.975 3.448 -2.908 166 HB2 ARG 22 2HB ARG 22 -2.744 1.846 -5.185 167 HB3 ARG 22 1HB ARG 22 -4.329 2.610 -5.191 168 HG2 ARG 22 2HG ARG 22 -1.653 4.053 -5.113 169 HG3 ARG 22 1HG ARG 22 -2.688 3.862 -6.534 170 HD2 ARG 22 2HD ARG 22 -3.399 5.358 -3.994 171 HD3 ARG 22 1HD ARG 22 -2.930 6.092 -5.527 172 HE ARG 22 HE ARG 22 -5.257 4.370 -5.658 173 HH11 ARG 22 1HH1 ARG 22 -4.158 7.693 -5.154 174 HH12 ARG 22 2HH1 ARG 22 -5.692 8.372 -5.577 175 HH21 ARG 22 1HH2 ARG 22 -7.251 5.311 -6.216 176 HH22 ARG 22 2HH2 ARG 22 -7.428 7.036 -6.173 177 H ARG 23 H ARG 23 -2.074 0.452 -2.964 178 HA ARG 23 HA ARG 23 -4.198 -1.378 -2.452 179 HB2 ARG 23 2HB ARG 23 -1.300 -1.631 -1.580 180 HB3 ARG 23 1HB ARG 23 -2.476 -2.940 -1.742 181 HG2 ARG 23 2HG ARG 23 -2.570 -2.391 -4.207 182 HG3 ARG 23 1HG ARG 23 -1.212 -1.294 -3.950 183 HD2 ARG 23 2HD ARG 23 0.071 -3.233 -3.027 184 HD3 ARG 23 1HD ARG 23 -1.276 -4.280 -3.483 185 HE ARG 23 HE ARG 23 -0.691 -3.028 -5.806 186 HH11 ARG 23 1HH1 ARG 23 1.360 -4.795 -3.551 187 HH12 ARG 23 2HH1 ARG 23 2.467 -5.309 -4.785 188 HH21 ARG 23 1HH2 ARG 23 0.786 -3.705 -7.406 189 HH22 ARG 23 2HH2 ARG 23 2.146 -4.696 -6.961 190 H GLU 24 H GLU 24 -5.535 -0.828 -0.737 191 HA GLU 24 HA GLU 24 -4.721 0.499 1.647 192 HB2 GLU 24 2HB GLU 24 -7.095 0.355 0.626 193 HB3 GLU 24 1HB GLU 24 -7.214 -1.243 1.340 194 HG2 GLU 24 2HG GLU 24 -6.749 1.298 2.940 195 HG3 GLU 24 1HG GLU 24 -8.347 0.633 2.621 196 H LYS 25 H LYS 25 -5.453 -2.888 0.919 197 HA LYS 25 HA LYS 25 -4.038 -3.833 3.325 198 HB2 LYS 25 2HB LYS 25 -5.671 -5.367 1.261 199 HB3 LYS 25 1HB LYS 25 -4.944 -6.066 2.708 200 HG2 LYS 25 2HG LYS 25 -6.426 -4.767 4.132 201 HG3 LYS 25 1HG LYS 25 -7.102 -3.929 2.728 202 HD2 LYS 25 2HD LYS 25 -7.331 -6.909 3.335 203 HD3 LYS 25 1HD LYS 25 -8.618 -5.711 3.494 204 HE2 LYS 25 2HE LYS 25 -8.570 -5.324 1.057 205 HE3 LYS 25 1HE LYS 25 -7.259 -6.493 0.887 206 HZ1 LYS 25 3HZ LYS 25 -8.728 -8.220 1.679 207 HZ2 LYS 25 1HZ LYS 25 -9.400 -7.450 0.332 208 HZ3 LYS 25 2HZ LYS 25 -9.985 -7.109 1.881 209 H CYS 26 H CYS 26 -2.481 -5.608 3.052 210 HA CYS 26 HA CYS 26 -0.578 -5.375 0.994 211 HB2 CYS 26 2HB CYS 26 -1.098 -7.497 3.086 212 HB3 CYS 26 1HB CYS 26 0.076 -7.804 1.809 213 H PHE 27 H PHE 27 -0.237 -6.539 -0.874 214 HA PHE 27 HA PHE 27 -2.560 -7.230 -2.344 215 HB2 PHE 27 2HB PHE 27 -1.097 -7.521 -4.245 216 HB3 PHE 27 1HB PHE 27 -0.528 -6.153 -3.316 217 HD1 PHE 27 2HD PHE 27 1.495 -6.504 -1.732 218 HD2 PHE 27 1HD PHE 27 0.426 -9.261 -4.838 219 HE1 PHE 27 2HE PHE 27 3.783 -7.411 -1.731 220 HE2 PHE 27 1HE PHE 27 2.719 -10.147 -4.824 221 HZ PHE 27 HZ PHE 27 4.396 -9.224 -3.275 222 H LYS 28 H LYS 28 -0.555 -9.152 -0.334 223 HA LYS 28 HA LYS 28 -1.813 -11.610 -1.351 224 HB2 LYS 28 2HB LYS 28 0.359 -12.816 -1.253 225 HB3 LYS 28 1HB LYS 28 0.328 -11.549 -2.459 226 HG2 LYS 28 2HG LYS 28 2.414 -11.168 -1.605 227 HG3 LYS 28 1HG LYS 28 1.491 -10.119 -0.528 228 HD2 LYS 28 2HD LYS 28 1.570 -11.791 1.244 229 HD3 LYS 28 1HD LYS 28 2.228 -13.009 0.150 230 HE2 LYS 28 2HE LYS 28 4.285 -11.594 -0.082 231 HE3 LYS 28 1HE LYS 28 3.624 -10.512 1.144 232 HZ1 LYS 28 3HZ LYS 28 3.641 -12.333 2.726 233 HZ2 LYS 28 1HZ LYS 28 5.185 -12.118 2.075 234 HZ3 LYS 28 2HZ LYS 28 4.221 -13.401 1.549 235 H CYS 29 H CYS 29 -0.149 -9.974 1.360 236 HA CYS 29 HA CYS 29 -0.655 -12.143 3.199 237 HB2 CYS 29 2HB CYS 29 1.386 -10.694 3.148 238 HB3 CYS 29 1HB CYS 29 0.392 -9.343 3.690 239 H GLY 30 H GLY 30 -2.188 -9.111 2.321 240 HA2 GLY 30 2HA GLY 30 -4.350 -8.439 2.596 241 HA3 GLY 30 1HA GLY 30 -4.678 -9.956 3.413 242 H VAL 31 H VAL 31 -2.228 -7.707 4.672 243 HA VAL 31 HA VAL 31 -3.907 -7.166 7.008 244 HB VAL 31 HB VAL 31 -1.490 -7.664 7.365 245 HG11 VAL 31 1HG1 VAL 31 0.255 -6.001 6.889 246 HG12 VAL 31 2HG1 VAL 31 -0.922 -5.008 6.024 247 HG13 VAL 31 3HG1 VAL 31 -0.491 -6.606 5.409 248 HG21 VAL 31 3HG2 VAL 31 -2.718 -6.419 9.084 249 HG22 VAL 31 1HG2 VAL 31 -2.305 -4.889 8.299 250 HG23 VAL 31 2HG2 VAL 31 -1.037 -5.886 9.021 251 HA PRO 32 HA PRO 32 -5.280 -3.163 5.234 252 HB2 PRO 32 2HB PRO 32 -6.460 -2.169 7.548 253 HB3 PRO 32 1HB PRO 32 -7.264 -3.312 6.452 254 HG2 PRO 32 2HG PRO 32 -5.791 -3.879 9.013 255 HG3 PRO 32 1HG PRO 32 -7.349 -4.526 8.449 256 HD2 PRO 32 2HD PRO 32 -5.098 -5.984 8.236 257 HD3 PRO 32 1HD PRO 32 -6.344 -6.042 6.965 258 H LYS 33 H LYS 33 -4.520 -1.056 5.332 259 HA LYS 33 HA LYS 33 -1.919 -0.611 6.219 260 HB2 LYS 33 2HB LYS 33 -3.063 0.659 4.376 261 HB3 LYS 33 1HB LYS 33 -3.962 1.560 5.600 262 HG2 LYS 33 2HG LYS 33 -1.683 2.274 6.542 263 HG3 LYS 33 1HG LYS 33 -0.974 1.582 5.083 264 HD2 LYS 33 2HD LYS 33 -1.202 3.930 4.700 265 HD3 LYS 33 1HD LYS 33 -2.445 3.132 3.734 266 HE2 LYS 33 2HE LYS 33 -4.132 3.686 5.450 267 HE3 LYS 33 1HE LYS 33 -2.884 4.448 6.436 268 HZ1 LYS 33 3HZ LYS 33 -4.180 6.050 5.142 269 HZ2 LYS 33 1HZ LYS 33 -3.641 5.332 3.707 270 HZ3 LYS 33 2HZ LYS 33 -2.538 6.087 4.739 271 H SER 34 H SER 34 -4.972 0.116 7.836 272 HA SER 34 HA SER 34 -4.067 1.808 9.901 273 HB2 SER 34 2HB SER 34 -6.469 1.400 9.333 274 HB3 SER 34 1HB SER 34 -6.335 -0.222 10.013 275 HG SER 34 HG SER 34 -6.278 0.597 12.001 276 H GLU 35 H GLU 35 -3.962 -1.650 9.487 277 HA GLU 35 HA GLU 35 -2.767 -2.097 12.153 278 HB2 GLU 35 2HB GLU 35 -4.143 -4.015 10.214 279 HB3 GLU 35 1HB GLU 35 -3.379 -4.508 11.726 280 HG2 GLU 35 2HG GLU 35 -4.959 -3.079 12.985 281 HG3 GLU 35 1HG GLU 35 -5.728 -2.607 11.468 282 H ALA 36 H ALA 36 -1.677 -1.272 9.298 283 HA ALA 36 HA ALA 36 0.534 -3.205 9.027 284 HB1 ALA 36 1HB ALA 36 1.091 -1.968 6.974 285 HB2 ALA 36 2HB ALA 36 -0.208 -0.817 7.306 286 HB3 ALA 36 3HB ALA 36 -0.592 -2.509 6.964 287 H GLU 37 H GLU 37 2.648 -1.938 8.289 288 HA GLU 37 HA GLU 37 4.376 -0.558 8.629 289 HB2 GLU 37 2HB GLU 37 2.444 1.123 8.180 290 HB3 GLU 37 1HB GLU 37 2.467 1.437 9.911 291 HG2 GLU 37 2HG GLU 37 4.683 2.335 9.797 292 HG3 GLU 37 1HG GLU 37 4.898 1.754 8.147 293 H GLN 38 H GLN 38 5.559 0.773 10.533 294 HA GLN 38 HA GLN 38 5.544 -0.802 12.951 295 HB2 GLN 38 2HB GLN 38 7.623 0.270 12.056 296 HB3 GLN 38 1HB GLN 38 6.929 1.859 12.360 297 HG2 GLN 38 2HG GLN 38 6.902 1.405 14.769 298 HG3 GLN 38 1HG GLN 38 7.515 -0.218 14.494 299 HE21 GLN 38 1HE2 GLN 38 9.694 -0.493 13.881 300 HE22 GLN 38 2HE2 GLN 38 10.862 0.762 14.105 301 H LYS 39 H LYS 39 3.833 -0.612 14.257 302 HA LYS 39 HA LYS 39 1.967 1.498 14.329 303 HB2 LYS 39 2HB LYS 39 1.561 -0.885 15.052 304 HB3 LYS 39 1HB LYS 39 2.515 -0.576 16.499 305 HG2 LYS 39 2HG LYS 39 0.843 1.196 17.144 306 HG3 LYS 39 1HG LYS 39 -0.133 0.728 15.750 307 HD2 LYS 39 2HD LYS 39 0.550 -0.980 18.173 308 HD3 LYS 39 1HD LYS 39 -1.031 -0.324 17.742 309 HE2 LYS 39 2HE LYS 39 0.509 -2.455 16.216 310 HE3 LYS 39 1HE LYS 39 -0.931 -2.704 17.201 311 HZ1 LYS 39 3HZ LYS 39 -2.175 -1.314 15.646 312 HZ2 LYS 39 1HZ LYS 39 -1.481 -2.643 14.867 313 HZ3 LYS 39 2HZ LYS 39 -0.792 -1.110 14.701 314 H LEU 40 H LEU 40 1.991 3.417 15.376 315 HA LEU 40 HA LEU 40 4.179 4.305 16.970 316 HB2 LEU 40 2HB LEU 40 1.417 5.488 16.481 317 HB3 LEU 40 1HB LEU 40 2.604 6.271 17.508 318 HG LEU 40 HG LEU 40 4.161 6.348 15.467 319 HD11 LEU 40 1HD1 LEU 40 3.166 6.198 13.237 320 HD12 LEU 40 2HD1 LEU 40 1.646 5.637 13.944 321 HD13 LEU 40 3HD1 LEU 40 3.106 4.652 14.080 322 HD21 LEU 40 3HD2 LEU 40 3.113 8.347 14.523 323 HD22 LEU 40 1HD2 LEU 40 2.980 8.335 16.279 324 HD23 LEU 40 2HD2 LEU 40 1.577 7.927 15.286 325 HA PRO 41 HA PRO 41 2.956 2.691 20.993 326 HB2 PRO 41 2HB PRO 41 4.235 5.128 22.186 327 HB3 PRO 41 1HB PRO 41 4.609 3.411 22.450 328 HG2 PRO 41 2HG PRO 41 6.261 4.935 21.019 329 HG3 PRO 41 1HG PRO 41 5.937 3.251 20.542 330 HD2 PRO 41 2HD PRO 41 4.777 5.790 19.384 331 HD3 PRO 41 1HD PRO 41 5.392 4.347 18.541 332 H LEU 42 H LEU 42 2.190 5.948 20.018 333 HA LEU 42 HA LEU 42 -0.466 5.723 21.194 334 HB2 LEU 42 2HB LEU 42 1.148 6.958 22.829 335 HB3 LEU 42 1HB LEU 42 1.146 8.266 21.665 336 HG LEU 42 HG LEU 42 -1.400 7.262 23.017 337 HD11 LEU 42 1HD1 LEU 42 0.368 9.552 23.926 338 HD12 LEU 42 2HD1 LEU 42 0.148 8.008 24.754 339 HD13 LEU 42 3HD1 LEU 42 -1.208 9.122 24.602 340 HD21 LEU 42 3HD2 LEU 42 -2.345 9.458 22.406 341 HD22 LEU 42 1HD2 LEU 42 -1.822 8.575 20.975 342 HD23 LEU 42 2HD2 LEU 42 -0.834 9.897 21.602 343 H GLY 43 H GLY 43 -1.912 6.454 19.733 344 HA2 GLY 43 2HA GLY 43 -1.270 8.511 17.763 345 HA3 GLY 43 1HA GLY 43 -1.600 6.902 17.118 Start of MODEL 16 1 H1 GLY 1 H GLY 1 18.467 -4.817 -2.345 2 HA2 GLY 1 1HA GLY 1 16.317 -6.145 -3.649 3 HA3 GLY 1 2HA GLY 1 15.649 -5.179 -2.342 4 H HIS 2 H HIS 2 14.566 -3.993 -4.052 5 HA HIS 2 HA HIS 2 16.037 -1.597 -4.792 6 HB2 HIS 2 2HB HIS 2 16.422 -3.025 -6.786 7 HB3 HIS 2 1HB HIS 2 14.695 -3.329 -6.929 8 HD1 HIS 2 1HD HIS 2 17.179 -0.473 -7.215 9 HD2 HIS 2 2HD HIS 2 13.339 -1.465 -8.460 10 HE1 HIS 2 1HE HIS 2 16.509 1.308 -8.845 11 HE2 HIS 2 2HE HIS 2 14.250 0.613 -9.681 12 H MET 3 H MET 3 14.666 -0.580 -3.331 13 HA MET 3 HA MET 3 11.789 -0.814 -3.469 14 HB2 MET 3 2HB MET 3 11.763 0.849 -1.652 15 HB3 MET 3 1HB MET 3 12.921 -0.425 -1.302 16 HG2 MET 3 2HG MET 3 14.762 1.075 -2.000 17 HG3 MET 3 1HG MET 3 13.586 2.359 -2.302 18 HE1 MET 3 3HE MET 3 15.259 3.724 0.941 19 HE2 MET 3 1HE MET 3 14.704 4.122 -0.684 20 HE3 MET 3 2HE MET 3 16.027 2.977 -0.455 21 HA PRO 4 HA PRO 4 11.173 2.748 -6.282 22 HB2 PRO 4 2HB PRO 4 8.365 2.829 -5.323 23 HB3 PRO 4 1HB PRO 4 8.971 2.423 -6.941 24 HG2 PRO 4 2HG PRO 4 7.855 0.557 -5.325 25 HG3 PRO 4 1HG PRO 4 9.162 0.163 -6.468 26 HD2 PRO 4 2HD PRO 4 9.353 0.686 -3.496 27 HD3 PRO 4 1HD PRO 4 10.112 -0.605 -4.458 28 H LYS 5 H LYS 5 10.358 5.002 -6.046 29 HA LYS 5 HA LYS 5 11.248 6.269 -3.656 30 HB2 LYS 5 2HB LYS 5 9.951 7.282 -6.197 31 HB3 LYS 5 1HB LYS 5 10.013 8.345 -4.803 32 HG2 LYS 5 2HG LYS 5 11.950 9.013 -5.791 33 HG3 LYS 5 1HG LYS 5 12.610 7.682 -4.851 34 HD2 LYS 5 2HD LYS 5 11.797 7.476 -7.777 35 HD3 LYS 5 1HD LYS 5 13.426 7.862 -7.234 36 HE2 LYS 5 2HE LYS 5 11.929 5.249 -6.858 37 HE3 LYS 5 1HE LYS 5 13.389 5.536 -7.806 38 HZ1 LYS 5 3HZ LYS 5 13.138 5.625 -4.848 39 HZ2 LYS 5 1HZ LYS 5 14.517 6.096 -5.701 40 HZ3 LYS 5 2HZ LYS 5 13.990 4.493 -5.775 41 H ILE 6 H ILE 6 10.214 6.103 -1.857 42 HA ILE 6 HA ILE 6 7.612 5.087 -1.508 43 HB ILE 6 HB ILE 6 9.424 6.485 0.516 44 HG12 ILE 6 2HG1 ILE 6 10.562 4.547 -0.486 45 HG13 ILE 6 1HG1 ILE 6 10.157 4.200 1.189 46 HG21 ILE 6 1HG2 ILE 6 7.159 6.418 1.402 47 HG22 ILE 6 2HG2 ILE 6 8.157 5.255 2.274 48 HG23 ILE 6 3HG2 ILE 6 7.022 4.694 1.045 49 HD11 ILE 6 3HD1 ILE 6 9.804 2.272 -0.192 50 HD12 ILE 6 1HD1 ILE 6 8.732 3.175 -1.260 51 HD13 ILE 6 2HD1 ILE 6 8.248 2.849 0.409 52 H ASN 7 H ASN 7 5.923 6.304 -2.253 53 HA ASN 7 HA ASN 7 5.544 9.112 -1.503 54 HB2 ASN 7 2HB ASN 7 3.514 7.260 -2.854 55 HB3 ASN 7 1HB ASN 7 3.497 9.022 -2.816 56 HD21 ASN 7 1HD2 ASN 7 4.970 6.182 -4.254 57 HD22 ASN 7 2HD2 ASN 7 5.716 7.010 -5.577 58 H GLU 8 H GLU 8 3.252 6.404 -1.331 59 HA GLU 8 HA GLU 8 2.894 6.731 1.593 60 HB2 GLU 8 2HB GLU 8 0.916 7.524 0.224 61 HB3 GLU 8 1HB GLU 8 0.785 5.911 -0.464 62 HG2 GLU 8 2HG GLU 8 0.333 5.025 1.828 63 HG3 GLU 8 1HG GLU 8 0.369 6.679 2.446 64 H ASP 9 H ASP 9 4.240 4.920 -0.742 65 HA ASP 9 HA ASP 9 3.612 2.250 -0.487 66 HB2 ASP 9 2HB ASP 9 6.348 3.529 -0.814 67 HB3 ASP 9 1HB ASP 9 5.999 1.845 -1.158 68 H TRP 10 H TRP 10 3.479 1.088 1.286 69 HA TRP 10 HA TRP 10 5.229 1.586 3.603 70 HB2 TRP 10 2HB TRP 10 3.336 0.636 4.966 71 HB3 TRP 10 1HB TRP 10 3.018 2.188 4.212 72 HD1 TRP 10 HD TRP 10 1.051 2.306 2.410 73 HE1 TRP 10 1HE TRP 10 -0.870 0.695 1.849 74 HE3 TRP 10 3HE TRP 10 2.836 -1.922 4.652 75 HZ2 TRP 10 2HZ TRP 10 -1.526 -2.013 2.255 76 HZ3 TRP 10 3HZ TRP 10 1.518 -3.987 4.492 77 HH2 TRP 10 HH TRP 10 -0.620 -4.039 3.315 78 H LEU 11 H LEU 11 5.512 -0.250 5.003 79 HA LEU 11 HA LEU 11 6.146 -2.721 3.499 80 HB2 LEU 11 2HB LEU 11 8.005 -1.116 4.493 81 HB3 LEU 11 1HB LEU 11 7.541 -1.767 6.047 82 HG LEU 11 HG LEU 11 9.610 -2.800 5.070 83 HD11 LEU 11 1HD1 LEU 11 8.349 -4.074 6.719 84 HD12 LEU 11 2HD1 LEU 11 9.109 -5.133 5.535 85 HD13 LEU 11 3HD1 LEU 11 7.377 -4.803 5.434 86 HD21 LEU 11 3HD2 LEU 11 8.979 -2.698 2.695 87 HD22 LEU 11 1HD2 LEU 11 7.774 -3.964 2.954 88 HD23 LEU 11 2HD2 LEU 11 9.492 -4.319 3.161 89 H CYS 12 H CYS 12 5.203 -4.588 4.293 90 HA CYS 12 HA CYS 12 3.090 -4.462 6.199 91 HB2 CYS 12 2HB CYS 12 2.925 -6.043 4.367 92 HB3 CYS 12 1HB CYS 12 4.436 -6.809 4.807 93 H ASN 13 H ASN 13 2.903 -5.996 8.046 94 HA ASN 13 HA ASN 13 5.398 -6.218 9.642 95 HB2 ASN 13 2HB ASN 13 3.849 -6.270 11.645 96 HB3 ASN 13 1HB ASN 13 3.847 -4.758 10.751 97 HD21 ASN 13 1HD2 ASN 13 1.833 -4.093 11.498 98 HD22 ASN 13 2HD2 ASN 13 0.357 -4.861 11.027 99 H LYS 14 H LYS 14 2.664 -7.981 8.335 100 HA LYS 14 HA LYS 14 3.329 -10.483 9.663 101 HB2 LYS 14 2HB LYS 14 1.253 -9.800 7.554 102 HB3 LYS 14 1HB LYS 14 1.500 -11.435 8.169 103 HG2 LYS 14 2HG LYS 14 1.006 -10.526 10.484 104 HG3 LYS 14 1HG LYS 14 0.532 -9.006 9.717 105 HD2 LYS 14 2HD LYS 14 -0.754 -11.741 9.261 106 HD3 LYS 14 1HD LYS 14 -1.446 -10.409 10.195 107 HE2 LYS 14 2HE LYS 14 -1.637 -9.048 8.178 108 HE3 LYS 14 1HE LYS 14 -0.821 -10.281 7.228 109 HZ1 LYS 14 3HZ LYS 14 -2.676 -11.784 7.733 110 HZ2 LYS 14 1HZ LYS 14 -3.155 -10.415 6.863 111 HZ3 LYS 14 2HZ LYS 14 -3.473 -10.518 8.519 112 H CYS 15 H CYS 15 2.968 -9.745 6.062 113 HA CYS 15 HA CYS 15 4.751 -11.969 5.468 114 HB2 CYS 15 2HB CYS 15 4.286 -11.359 3.112 115 HB3 CYS 15 1HB CYS 15 2.809 -11.542 4.055 116 H GLY 16 H GLY 16 4.893 -8.476 5.609 117 HA2 GLY 16 2HA GLY 16 6.730 -7.101 5.837 118 HA3 GLY 16 1HA GLY 16 7.800 -8.456 5.498 119 H VAL 17 H VAL 17 5.171 -7.805 3.266 120 HA VAL 17 HA VAL 17 7.127 -7.207 1.174 121 HB VAL 17 HB VAL 17 5.362 -7.491 -0.457 122 HG11 VAL 17 1HG1 VAL 17 5.143 -9.647 1.676 123 HG12 VAL 17 2HG1 VAL 17 6.388 -9.539 0.429 124 HG13 VAL 17 3HG1 VAL 17 4.710 -9.827 -0.030 125 HG21 VAL 17 3HG2 VAL 17 3.000 -7.991 0.166 126 HG22 VAL 17 1HG2 VAL 17 3.489 -6.366 0.650 127 HG23 VAL 17 2HG2 VAL 17 3.385 -7.647 1.854 128 H GLN 18 H GLN 18 7.156 -5.410 -0.104 129 HA GLN 18 HA GLN 18 5.989 -2.929 0.931 130 HB2 GLN 18 2HB GLN 18 8.406 -2.993 0.419 131 HB3 GLN 18 1HB GLN 18 8.074 -3.458 -1.242 132 HG2 GLN 18 2HG GLN 18 6.973 -0.851 -0.181 133 HG3 GLN 18 1HG GLN 18 8.673 -0.954 -0.630 134 HE21 GLN 18 1HE2 GLN 18 6.580 0.660 -1.844 135 HE22 GLN 18 2HE2 GLN 18 6.506 0.219 -3.504 136 H ASN 19 H ASN 19 4.268 -1.970 -0.041 137 HA ASN 19 HA ASN 19 2.843 -3.562 -2.058 138 HB2 ASN 19 2HB ASN 19 0.859 -2.438 -1.282 139 HB3 ASN 19 1HB ASN 19 1.794 -2.835 0.157 140 HD21 ASN 19 1HD2 ASN 19 -0.224 -0.698 -0.426 141 HD22 ASN 19 2HD2 ASN 19 0.535 0.766 0.067 142 H PHE 20 H PHE 20 1.191 -1.906 -3.268 143 HA PHE 20 HA PHE 20 2.810 -0.125 -4.945 144 HB2 PHE 20 2HB PHE 20 1.444 -1.969 -6.005 145 HB3 PHE 20 1HB PHE 20 -0.017 -1.176 -5.428 146 HD1 PHE 20 1HD PHE 20 3.120 -0.121 -7.233 147 HD2 PHE 20 2HD PHE 20 -1.162 0.030 -7.114 148 HE1 PHE 20 1HE PHE 20 3.101 1.270 -9.270 149 HE2 PHE 20 2HE PHE 20 -1.162 1.417 -9.150 150 HZ PHE 20 HZ PHE 20 0.966 2.029 -10.229 151 H LYS 21 H LYS 21 2.404 0.921 -2.477 152 HA LYS 21 HA LYS 21 1.617 2.434 -1.077 153 HB2 LYS 21 2HB LYS 21 1.435 4.738 -1.970 154 HB3 LYS 21 1HB LYS 21 2.845 3.865 -2.494 155 HG2 LYS 21 2HG LYS 21 1.935 3.541 -4.706 156 HG3 LYS 21 1HG LYS 21 0.403 4.262 -4.215 157 HD2 LYS 21 2HD LYS 21 1.506 6.425 -3.862 158 HD3 LYS 21 1HD LYS 21 3.078 5.704 -4.236 159 HE2 LYS 21 2HE LYS 21 2.261 6.936 -6.168 160 HE3 LYS 21 1HE LYS 21 2.278 5.212 -6.535 161 HZ1 LYS 21 3HZ LYS 21 -0.106 6.811 -5.775 162 HZ2 LYS 21 1HZ LYS 21 -0.112 5.150 -6.103 163 HZ3 LYS 21 2HZ LYS 21 0.264 6.253 -7.325 164 H ARG 22 H ARG 22 -0.719 2.995 -3.749 165 HA ARG 22 HA ARG 22 -2.856 3.862 -2.183 166 HB2 ARG 22 2HB ARG 22 -2.609 4.209 -4.648 167 HB3 ARG 22 1HB ARG 22 -2.959 2.506 -4.902 168 HG2 ARG 22 2HG ARG 22 -4.947 3.835 -5.359 169 HG3 ARG 22 1HG ARG 22 -5.222 2.821 -3.943 170 HD2 ARG 22 2HD ARG 22 -4.665 4.838 -2.499 171 HD3 ARG 22 1HD ARG 22 -4.634 5.808 -3.977 172 HE ARG 22 HE ARG 22 -6.977 4.531 -2.737 173 HH11 ARG 22 1HH1 ARG 22 -5.747 6.674 -5.235 174 HH12 ARG 22 2HH1 ARG 22 -7.313 7.309 -5.625 175 HH21 ARG 22 1HH2 ARG 22 -8.997 5.362 -3.241 176 HH22 ARG 22 2HH2 ARG 22 -9.166 6.559 -4.487 177 H ARG 23 H ARG 23 -1.711 0.633 -2.795 178 HA ARG 23 HA ARG 23 -3.963 -0.916 -2.095 179 HB2 ARG 23 2HB ARG 23 -1.025 -1.467 -1.477 180 HB3 ARG 23 1HB ARG 23 -2.319 -2.653 -1.386 181 HG2 ARG 23 2HG ARG 23 -1.377 -1.278 -3.919 182 HG3 ARG 23 1HG ARG 23 -0.898 -2.893 -3.392 183 HD2 ARG 23 2HD ARG 23 -3.389 -3.508 -3.477 184 HD3 ARG 23 1HD ARG 23 -3.648 -1.962 -4.299 185 HE ARG 23 HE ARG 23 -2.126 -4.281 -5.319 186 HH11 ARG 23 1HH1 ARG 23 -3.598 -1.155 -5.993 187 HH12 ARG 23 2HH1 ARG 23 -3.410 -1.308 -7.705 188 HH21 ARG 23 1HH2 ARG 23 -1.882 -4.455 -7.543 189 HH22 ARG 23 2HH2 ARG 23 -2.425 -3.183 -8.590 190 H GLU 24 H GLU 24 -5.135 -0.259 -0.317 191 HA GLU 24 HA GLU 24 -3.969 0.746 2.125 192 HB2 GLU 24 2HB GLU 24 -6.815 -0.232 1.673 193 HB3 GLU 24 1HB GLU 24 -6.258 0.809 2.979 194 HG2 GLU 24 2HG GLU 24 -5.837 2.626 1.439 195 HG3 GLU 24 1HG GLU 24 -6.159 1.591 0.048 196 H LYS 25 H LYS 25 -4.506 -2.348 0.864 197 HA LYS 25 HA LYS 25 -3.495 -3.584 3.323 198 HB2 LYS 25 2HB LYS 25 -5.710 -4.723 1.555 199 HB3 LYS 25 1HB LYS 25 -4.853 -5.651 2.787 200 HG2 LYS 25 2HG LYS 25 -5.735 -4.179 4.547 201 HG3 LYS 25 1HG LYS 25 -6.557 -3.189 3.335 202 HD2 LYS 25 2HD LYS 25 -7.127 -6.114 3.971 203 HD3 LYS 25 1HD LYS 25 -8.135 -4.734 4.416 204 HE2 LYS 25 2HE LYS 25 -8.489 -4.255 1.987 205 HE3 LYS 25 1HE LYS 25 -7.546 -5.692 1.587 206 HZ1 LYS 25 3HZ LYS 25 -9.195 -7.010 2.811 207 HZ2 LYS 25 1HZ LYS 25 -9.861 -6.189 1.492 208 HZ3 LYS 25 2HZ LYS 25 -10.119 -5.620 3.061 209 H CYS 26 H CYS 26 -2.156 -5.428 2.896 210 HA CYS 26 HA CYS 26 -0.444 -5.256 0.693 211 HB2 CYS 26 2HB CYS 26 -0.897 -7.400 2.769 212 HB3 CYS 26 1HB CYS 26 0.153 -7.744 1.401 213 H PHE 27 H PHE 27 -0.146 -6.545 -1.120 214 HA PHE 27 HA PHE 27 -2.560 -7.118 -2.558 215 HB2 PHE 27 2HB PHE 27 -1.060 -7.453 -4.502 216 HB3 PHE 27 1HB PHE 27 -0.714 -5.957 -3.654 217 HD1 PHE 27 1HD PHE 27 1.408 -5.665 -2.399 218 HD2 PHE 27 2HD PHE 27 0.592 -9.283 -4.551 219 HE1 PHE 27 1HE PHE 27 3.784 -6.289 -2.274 220 HE2 PHE 27 2HE PHE 27 2.968 -9.895 -4.406 221 HZ PHE 27 HZ PHE 27 4.564 -8.402 -3.270 222 H LYS 28 H LYS 28 -0.928 -9.048 -0.429 223 HA LYS 28 HA LYS 28 -1.790 -11.558 -1.664 224 HB2 LYS 28 2HB LYS 28 0.512 -12.557 -1.250 225 HB3 LYS 28 1HB LYS 28 0.411 -11.403 -2.559 226 HG2 LYS 28 2HG LYS 28 2.408 -10.788 -1.555 227 HG3 LYS 28 1HG LYS 28 1.290 -9.660 -0.811 228 HD2 LYS 28 2HD LYS 28 2.706 -10.413 0.929 229 HD3 LYS 28 1HD LYS 28 1.203 -11.290 1.162 230 HE2 LYS 28 2HE LYS 28 3.659 -12.439 -0.198 231 HE3 LYS 28 1HE LYS 28 3.246 -12.682 1.496 232 HZ1 LYS 28 3HZ LYS 28 1.735 -13.647 -0.872 233 HZ2 LYS 28 1HZ LYS 28 1.139 -13.726 0.711 234 HZ3 LYS 28 2HZ LYS 28 2.538 -14.575 0.289 235 H CYS 29 H CYS 29 -0.405 -9.935 1.202 236 HA CYS 29 HA CYS 29 -1.239 -12.096 2.971 237 HB2 CYS 29 2HB CYS 29 0.971 -11.071 3.168 238 HB3 CYS 29 1HB CYS 29 0.248 -9.489 3.408 239 H GLY 30 H GLY 30 -2.171 -8.803 2.112 240 HA2 GLY 30 2HA GLY 30 -4.156 -7.710 2.358 241 HA3 GLY 30 1HA GLY 30 -4.820 -9.155 3.108 242 H VAL 31 H VAL 31 -1.944 -7.696 4.515 243 HA VAL 31 HA VAL 31 -3.279 -7.116 6.973 244 HB VAL 31 HB VAL 31 -0.863 -7.702 6.935 245 HG11 VAL 31 1HG1 VAL 31 -0.413 -4.964 5.701 246 HG12 VAL 31 2HG1 VAL 31 -0.145 -6.522 4.917 247 HG13 VAL 31 3HG1 VAL 31 0.849 -6.047 6.295 248 HG21 VAL 31 3HG2 VAL 31 -1.721 -6.564 8.906 249 HG22 VAL 31 1HG2 VAL 31 -1.472 -4.983 8.157 250 HG23 VAL 31 2HG2 VAL 31 -0.082 -5.992 8.584 251 HA PRO 32 HA PRO 32 -4.816 -2.971 5.928 252 HB2 PRO 32 2HB PRO 32 -4.802 -2.653 8.933 253 HB3 PRO 32 1HB PRO 32 -6.121 -2.366 7.778 254 HG2 PRO 32 2HG PRO 32 -6.201 -4.521 9.297 255 HG3 PRO 32 1HG PRO 32 -6.619 -4.644 7.576 256 HD2 PRO 32 2HD PRO 32 -4.028 -5.394 8.913 257 HD3 PRO 32 1HD PRO 32 -4.983 -6.309 7.721 258 H LYS 33 H LYS 33 -3.756 -1.128 5.520 259 HA LYS 33 HA LYS 33 -1.080 -0.545 6.162 260 HB2 LYS 33 2HB LYS 33 -2.171 0.419 4.173 261 HB3 LYS 33 1HB LYS 33 -3.310 1.301 5.189 262 HG2 LYS 33 2HG LYS 33 -1.317 2.568 6.151 263 HG3 LYS 33 1HG LYS 33 -0.317 1.773 4.935 264 HD2 LYS 33 2HD LYS 33 -0.886 3.964 4.104 265 HD3 LYS 33 1HD LYS 33 -1.784 2.776 3.155 266 HE2 LYS 33 2HE LYS 33 -3.797 3.220 4.571 267 HE3 LYS 33 1HE LYS 33 -2.879 4.445 5.444 268 HZ1 LYS 33 3HZ LYS 33 -4.296 5.387 3.721 269 HZ2 LYS 33 1HZ LYS 33 -3.455 4.519 2.538 270 HZ3 LYS 33 2HZ LYS 33 -2.660 5.716 3.430 271 H SER 34 H SER 34 -4.151 0.337 7.588 272 HA SER 34 HA SER 34 -3.439 2.367 9.354 273 HB2 SER 34 2HB SER 34 -5.780 1.729 8.820 274 HB3 SER 34 1HB SER 34 -5.570 0.204 9.682 275 HG SER 34 HG SER 34 -5.268 2.763 10.867 276 H GLU 35 H GLU 35 -2.882 -1.084 9.515 277 HA GLU 35 HA GLU 35 -1.867 -0.920 12.292 278 HB2 GLU 35 2HB GLU 35 -2.740 -3.392 10.739 279 HB3 GLU 35 1HB GLU 35 -2.193 -3.352 12.420 280 HG2 GLU 35 2HG GLU 35 -4.132 -1.876 12.970 281 HG3 GLU 35 1HG GLU 35 -4.705 -2.056 11.310 282 H ALA 36 H ALA 36 -0.879 -1.378 8.998 283 HA ALA 36 HA ALA 36 1.630 -2.726 9.540 284 HB1 ALA 36 1HB ALA 36 2.164 -2.225 7.178 285 HB2 ALA 36 2HB ALA 36 0.732 -1.196 7.064 286 HB3 ALA 36 3HB ALA 36 0.552 -2.933 7.330 287 H GLU 37 H GLU 37 0.797 0.566 8.432 288 HA GLU 37 HA GLU 37 3.137 1.737 9.655 289 HB2 GLU 37 2HB GLU 37 0.687 3.015 8.349 290 HB3 GLU 37 1HB GLU 37 2.087 3.912 8.938 291 HG2 GLU 37 2HG GLU 37 2.009 1.908 6.663 292 HG3 GLU 37 1HG GLU 37 2.284 3.648 6.547 293 H GLN 38 H GLN 38 2.801 3.577 11.168 294 HA GLN 38 HA GLN 38 2.613 4.149 13.281 295 HB2 GLN 38 2HB GLN 38 0.553 5.004 13.929 296 HB3 GLN 38 1HB GLN 38 0.445 5.015 12.188 297 HG2 GLN 38 2HG GLN 38 -0.952 2.974 12.266 298 HG3 GLN 38 1HG GLN 38 -0.839 2.966 14.024 299 HE21 GLN 38 1HE2 GLN 38 -3.188 3.173 12.255 300 HE22 GLN 38 2HE2 GLN 38 -4.000 4.616 12.747 301 H LYS 39 H LYS 39 1.430 3.561 15.526 302 HA LYS 39 HA LYS 39 1.344 0.622 15.858 303 HB2 LYS 39 2HB LYS 39 3.053 2.622 17.364 304 HB3 LYS 39 1HB LYS 39 2.529 1.143 18.166 305 HG2 LYS 39 2HG LYS 39 3.603 -0.180 16.328 306 HG3 LYS 39 1HG LYS 39 4.216 1.327 15.640 307 HD2 LYS 39 2HD LYS 39 5.615 1.729 17.555 308 HD3 LYS 39 1HD LYS 39 4.843 0.441 18.483 309 HE2 LYS 39 2HE LYS 39 7.092 -0.207 17.634 310 HE3 LYS 39 1HE LYS 39 5.812 -1.250 17.015 311 HZ1 LYS 39 3HZ LYS 39 7.370 -0.649 15.282 312 HZ2 LYS 39 1HZ LYS 39 7.073 0.990 15.528 313 HZ3 LYS 39 2HZ LYS 39 5.847 -0.008 14.940 314 H LEU 40 H LEU 40 -0.658 0.226 16.412 315 HA LEU 40 HA LEU 40 -2.396 1.935 17.941 316 HB2 LEU 40 2HB LEU 40 -2.631 -0.991 17.099 317 HB3 LEU 40 1HB LEU 40 -3.901 -0.114 17.933 318 HG LEU 40 HG LEU 40 -3.934 1.501 15.921 319 HD11 LEU 40 1HD1 LEU 40 -1.783 0.935 14.920 320 HD12 LEU 40 2HD1 LEU 40 -3.096 0.679 13.774 321 HD13 LEU 40 3HD1 LEU 40 -2.351 -0.704 14.582 322 HD21 LEU 40 3HD2 LEU 40 -5.692 -0.149 16.296 323 HD22 LEU 40 1HD2 LEU 40 -4.753 -1.375 15.438 324 HD23 LEU 40 2HD2 LEU 40 -5.367 0.040 14.574 325 HA PRO 41 HA PRO 41 -1.645 0.659 22.293 326 HB2 PRO 41 2HB PRO 41 -4.472 -0.457 22.143 327 HB3 PRO 41 1HB PRO 41 -3.711 0.499 23.440 328 HG2 PRO 41 2HG PRO 41 -5.351 1.702 21.764 329 HG3 PRO 41 1HG PRO 41 -3.831 2.499 22.231 330 HD2 PRO 41 2HD PRO 41 -4.520 1.149 19.629 331 HD3 PRO 41 1HD PRO 41 -3.498 2.572 19.928 332 H LEU 42 H LEU 42 -0.183 -0.982 22.345 333 HA LEU 42 HA LEU 42 0.912 -2.888 22.125 334 HB2 LEU 42 2HB LEU 42 -1.841 -4.100 22.358 335 HB3 LEU 42 1HB LEU 42 -0.472 -5.125 21.979 336 HG LEU 42 HG LEU 42 -0.856 -5.285 24.341 337 HD11 LEU 42 1HD1 LEU 42 1.277 -4.593 25.285 338 HD12 LEU 42 2HD1 LEU 42 1.563 -3.503 23.927 339 HD13 LEU 42 3HD1 LEU 42 1.498 -5.249 23.666 340 HD21 LEU 42 3HD2 LEU 42 -0.719 -2.253 24.532 341 HD22 LEU 42 1HD2 LEU 42 -0.869 -3.375 25.890 342 HD23 LEU 42 2HD2 LEU 42 -2.168 -3.246 24.708 343 H GLY 43 H GLY 43 -1.932 -3.312 19.961 344 HA2 GLY 43 2HA GLY 43 -1.893 -2.907 17.634 345 HA3 GLY 43 1HA GLY 43 -0.149 -3.136 17.618 Start of MODEL 17 1 H1 GLY 1 H GLY 1 15.035 -5.289 3.467 2 HA2 GLY 1 1HA GLY 1 15.444 -6.940 1.184 3 HA3 GLY 1 2HA GLY 1 14.549 -7.871 2.376 4 H HIS 2 H HIS 2 13.541 -7.191 -0.136 5 HA HIS 2 HA HIS 2 11.766 -6.427 -1.246 6 HB2 HIS 2 2HB HIS 2 10.587 -5.955 1.520 7 HB3 HIS 2 1HB HIS 2 9.667 -5.862 0.021 8 HD1 HIS 2 1HD HIS 2 9.996 -8.091 2.642 9 HD2 HIS 2 2HD HIS 2 10.317 -8.579 -1.469 10 HE1 HIS 2 1HE HIS 2 9.583 -10.525 2.214 11 HE2 HIS 2 2HE HIS 2 9.851 -10.814 -0.270 12 H MET 3 H MET 3 12.980 -4.817 -2.166 13 HA MET 3 HA MET 3 13.375 -2.800 -3.022 14 HB2 MET 3 2HB MET 3 10.895 -1.945 -1.481 15 HB3 MET 3 1HB MET 3 11.668 -0.995 -2.750 16 HG2 MET 3 2HG MET 3 11.188 -2.776 -4.380 17 HG3 MET 3 1HG MET 3 10.441 -3.752 -3.114 18 HE1 MET 3 3HE MET 3 8.823 -3.233 -5.779 19 HE2 MET 3 1HE MET 3 7.254 -2.838 -5.075 20 HE3 MET 3 2HE MET 3 8.242 -4.112 -4.363 21 HA PRO 4 HA PRO 4 15.796 -1.109 0.557 22 HB2 PRO 4 2HB PRO 4 18.204 -1.033 -0.722 23 HB3 PRO 4 1HB PRO 4 17.581 -2.541 -0.010 24 HG2 PRO 4 2HG PRO 4 17.508 -1.641 -2.888 25 HG3 PRO 4 1HG PRO 4 17.941 -3.232 -2.220 26 HD2 PRO 4 2HD PRO 4 15.462 -2.701 -3.251 27 HD3 PRO 4 1HD PRO 4 15.723 -3.875 -1.943 28 H LYS 5 H LYS 5 14.139 0.555 -0.302 29 HA LYS 5 HA LYS 5 15.345 2.958 -1.351 30 HB2 LYS 5 2HB LYS 5 14.835 1.634 -3.433 31 HB3 LYS 5 1HB LYS 5 13.149 1.531 -2.939 32 HG2 LYS 5 2HG LYS 5 12.967 4.005 -3.124 33 HG3 LYS 5 1HG LYS 5 14.657 4.072 -3.646 34 HD2 LYS 5 2HD LYS 5 13.989 2.537 -5.581 35 HD3 LYS 5 1HD LYS 5 12.306 2.804 -5.111 36 HE2 LYS 5 2HE LYS 5 12.929 4.306 -6.942 37 HE3 LYS 5 1HE LYS 5 12.621 5.240 -5.478 38 HZ1 LYS 5 3HZ LYS 5 14.604 6.001 -6.625 39 HZ2 LYS 5 1HZ LYS 5 15.299 4.464 -6.507 40 HZ3 LYS 5 2HZ LYS 5 15.011 5.369 -5.111 41 H ILE 6 H ILE 6 14.140 4.753 -0.662 42 HA ILE 6 HA ILE 6 11.864 4.259 1.099 43 HB ILE 6 HB ILE 6 12.004 6.632 1.736 44 HG12 ILE 6 2HG1 ILE 6 14.306 6.883 -0.274 45 HG13 ILE 6 1HG1 ILE 6 12.709 7.591 -0.465 46 HG21 ILE 6 1HG2 ILE 6 14.191 6.586 2.861 47 HG22 ILE 6 2HG2 ILE 6 14.731 5.295 1.784 48 HG23 ILE 6 3HG2 ILE 6 13.409 5.003 2.917 49 HD11 ILE 6 3HD1 ILE 6 14.752 8.336 1.634 50 HD12 ILE 6 1HD1 ILE 6 13.119 9.001 1.521 51 HD13 ILE 6 2HD1 ILE 6 14.275 9.281 0.223 52 H ASN 7 H ASN 7 9.819 4.879 0.721 53 HA ASN 7 HA ASN 7 9.020 6.814 -1.209 54 HB2 ASN 7 2HB ASN 7 9.384 4.782 -2.710 55 HB3 ASN 7 1HB ASN 7 8.131 3.948 -1.798 56 HD21 ASN 7 1HD2 ASN 7 6.950 3.727 -3.777 57 HD22 ASN 7 2HD2 ASN 7 6.047 5.050 -4.426 58 H GLU 8 H GLU 8 6.763 7.273 -1.039 59 HA GLU 8 HA GLU 8 5.728 7.327 1.544 60 HB2 GLU 8 2HB GLU 8 5.165 8.881 -0.343 61 HB3 GLU 8 1HB GLU 8 4.229 7.603 -1.097 62 HG2 GLU 8 2HG GLU 8 2.731 9.155 -0.016 63 HG3 GLU 8 1HG GLU 8 2.674 7.611 0.832 64 H ASP 9 H ASP 9 5.265 4.958 -0.989 65 HA ASP 9 HA ASP 9 3.092 3.451 -0.230 66 HB2 ASP 9 2HB ASP 9 5.762 2.489 -1.328 67 HB3 ASP 9 1HB ASP 9 4.299 1.517 -1.297 68 H TRP 10 H TRP 10 2.810 1.587 1.088 69 HA TRP 10 HA TRP 10 4.364 1.815 3.567 70 HB2 TRP 10 2HB TRP 10 2.395 0.597 4.601 71 HB3 TRP 10 1HB TRP 10 2.067 2.198 3.967 72 HD1 TRP 10 HD TRP 10 0.604 2.293 1.593 73 HE1 TRP 10 1HE TRP 10 -1.259 0.717 0.786 74 HE3 TRP 10 3HE TRP 10 1.668 -1.791 4.489 75 HZ2 TRP 10 2HZ TRP 10 -2.167 -1.899 1.306 76 HZ3 TRP 10 3HZ TRP 10 0.249 -3.786 4.274 77 HH2 TRP 10 HH TRP 10 -1.624 -3.838 2.717 78 H LEU 11 H LEU 11 5.297 0.181 4.576 79 HA LEU 11 HA LEU 11 5.904 -2.255 3.031 80 HB2 LEU 11 2HB LEU 11 7.654 -0.472 3.958 81 HB3 LEU 11 1HB LEU 11 7.412 -1.278 5.489 82 HG LEU 11 HG LEU 11 9.474 -2.032 4.392 83 HD11 LEU 11 1HD1 LEU 11 9.204 -4.437 4.475 84 HD12 LEU 11 2HD1 LEU 11 7.448 -4.265 4.405 85 HD13 LEU 11 3HD1 LEU 11 8.342 -3.657 5.801 86 HD21 LEU 11 3HD2 LEU 11 7.757 -3.021 2.110 87 HD22 LEU 11 1HD2 LEU 11 9.501 -3.235 2.285 88 HD23 LEU 11 2HD2 LEU 11 8.829 -1.619 2.068 89 H CYS 12 H CYS 12 4.753 -3.996 3.654 90 HA CYS 12 HA CYS 12 3.102 -4.299 5.876 91 HB2 CYS 12 2HB CYS 12 4.399 -6.403 4.100 92 HB3 CYS 12 1HB CYS 12 3.124 -6.757 5.265 93 H ASN 13 H ASN 13 3.235 -5.397 7.720 94 HA ASN 13 HA ASN 13 5.898 -5.690 8.956 95 HB2 ASN 13 2HB ASN 13 4.721 -5.147 11.073 96 HB3 ASN 13 1HB ASN 13 4.487 -3.882 9.873 97 HD21 ASN 13 1HD2 ASN 13 2.881 -4.390 12.172 98 HD22 ASN 13 2HD2 ASN 13 1.277 -4.725 11.635 99 H LYS 14 H LYS 14 3.142 -7.415 7.941 100 HA LYS 14 HA LYS 14 3.443 -9.576 9.909 101 HB2 LYS 14 2HB LYS 14 1.238 -9.009 7.886 102 HB3 LYS 14 1HB LYS 14 1.266 -10.411 8.955 103 HG2 LYS 14 2HG LYS 14 1.251 -8.885 10.927 104 HG3 LYS 14 1HG LYS 14 1.171 -7.499 9.839 105 HD2 LYS 14 2HD LYS 14 -1.044 -8.010 10.745 106 HD3 LYS 14 1HD LYS 14 -1.021 -8.275 9.006 107 HE2 LYS 14 2HE LYS 14 -0.800 -10.707 9.388 108 HE3 LYS 14 1HE LYS 14 -0.841 -10.426 11.131 109 HZ1 LYS 14 3HZ LYS 14 -3.060 -9.462 10.862 110 HZ2 LYS 14 1HZ LYS 14 -3.009 -11.068 10.340 111 HZ3 LYS 14 2HZ LYS 14 -3.019 -9.814 9.206 112 H CYS 15 H CYS 15 2.987 -9.449 6.242 113 HA CYS 15 HA CYS 15 4.589 -11.836 5.955 114 HB2 CYS 15 2HB CYS 15 4.435 -11.405 3.539 115 HB3 CYS 15 1HB CYS 15 2.859 -11.311 4.319 116 H GLY 16 H GLY 16 5.108 -8.403 5.104 117 HA2 GLY 16 2HA GLY 16 7.182 -7.344 5.904 118 HA3 GLY 16 1HA GLY 16 8.046 -8.780 5.377 119 H VAL 17 H VAL 17 5.552 -7.882 3.226 120 HA VAL 17 HA VAL 17 7.511 -7.231 1.156 121 HB VAL 17 HB VAL 17 5.737 -7.554 -0.450 122 HG11 VAL 17 1HG1 VAL 17 5.416 -9.577 1.790 123 HG12 VAL 17 2HG1 VAL 17 6.633 -9.621 0.510 124 HG13 VAL 17 3HG1 VAL 17 4.925 -9.823 0.110 125 HG21 VAL 17 3HG2 VAL 17 3.927 -6.281 0.594 126 HG22 VAL 17 1HG2 VAL 17 3.769 -7.494 1.869 127 HG23 VAL 17 2HG2 VAL 17 3.357 -7.904 0.201 128 H GLN 18 H GLN 18 6.543 -5.528 -0.548 129 HA GLN 18 HA GLN 18 5.781 -3.042 0.875 130 HB2 GLN 18 2HB GLN 18 8.062 -3.080 -0.279 131 HB3 GLN 18 1HB GLN 18 7.222 -3.233 -1.815 132 HG2 GLN 18 2HG GLN 18 6.463 -0.926 -0.046 133 HG3 GLN 18 1HG GLN 18 8.045 -0.869 -0.807 134 HE21 GLN 18 1HE2 GLN 18 7.474 0.933 -2.006 135 HE22 GLN 18 2HE2 GLN 18 6.404 0.869 -3.360 136 H ASN 19 H ASN 19 3.853 -2.207 0.389 137 HA ASN 19 HA ASN 19 2.483 -2.980 -2.125 138 HB2 ASN 19 2HB ASN 19 1.278 -2.355 0.593 139 HB3 ASN 19 1HB ASN 19 0.346 -2.437 -0.894 140 HD21 ASN 19 1HD2 ASN 19 2.198 -4.298 1.409 141 HD22 ASN 19 2HD2 ASN 19 1.596 -5.840 0.922 142 H PHE 20 H PHE 20 1.462 -1.401 -3.285 143 HA PHE 20 HA PHE 20 2.536 1.188 -3.299 144 HB2 PHE 20 2HB PHE 20 1.411 -0.101 -5.224 145 HB3 PHE 20 1HB PHE 20 -0.134 0.386 -4.541 146 HD1 PHE 20 1HD PHE 20 3.114 1.817 -5.756 147 HD2 PHE 20 2HD PHE 20 -1.089 2.440 -5.285 148 HE1 PHE 20 1HE PHE 20 3.278 3.892 -7.044 149 HE2 PHE 20 2HE PHE 20 -0.912 4.525 -6.573 150 HZ PHE 20 HZ PHE 20 1.268 5.252 -7.455 151 H LYS 21 H LYS 21 1.459 3.247 -2.821 152 HA LYS 21 HA LYS 21 0.626 3.348 -0.195 153 HB2 LYS 21 2HB LYS 21 1.763 5.178 -1.472 154 HB3 LYS 21 1HB LYS 21 0.258 5.490 -2.327 155 HG2 LYS 21 2HG LYS 21 0.537 7.103 -0.531 156 HG3 LYS 21 1HG LYS 21 -0.833 6.034 -0.194 157 HD2 LYS 21 2HD LYS 21 0.544 4.687 1.346 158 HD3 LYS 21 1HD LYS 21 1.957 5.663 0.953 159 HE2 LYS 21 2HE LYS 21 0.665 7.657 1.891 160 HE3 LYS 21 1HE LYS 21 -0.484 6.473 2.528 161 HZ1 LYS 21 3HZ LYS 21 2.372 6.833 3.222 162 HZ2 LYS 21 1HZ LYS 21 1.537 5.388 3.569 163 HZ3 LYS 21 2HZ LYS 21 1.023 6.844 4.242 164 H ARG 22 H ARG 22 -1.287 3.297 -3.157 165 HA ARG 22 HA ARG 22 -3.721 4.218 -1.854 166 HB2 ARG 22 2HB ARG 22 -3.473 3.176 -4.695 167 HB3 ARG 22 1HB ARG 22 -4.721 4.235 -4.040 168 HG2 ARG 22 2HG ARG 22 -1.805 4.939 -4.559 169 HG3 ARG 22 1HG ARG 22 -3.211 5.493 -5.472 170 HD2 ARG 22 2HD ARG 22 -2.580 6.167 -2.582 171 HD3 ARG 22 1HD ARG 22 -2.342 7.235 -3.965 172 HE ARG 22 HE ARG 22 -4.983 6.293 -3.011 173 HH11 ARG 22 1HH1 ARG 22 -3.013 8.807 -4.517 174 HH12 ARG 22 2HH1 ARG 22 -4.332 9.927 -4.621 175 HH21 ARG 22 1HH2 ARG 22 -6.671 7.808 -3.098 176 HH22 ARG 22 2HH2 ARG 22 -6.401 9.363 -3.815 177 H ARG 23 H ARG 23 -2.284 1.320 -1.625 178 HA ARG 23 HA ARG 23 -4.559 -0.439 -2.066 179 HB2 ARG 23 2HB ARG 23 -1.905 -1.054 -0.709 180 HB3 ARG 23 1HB ARG 23 -3.136 -2.232 -1.179 181 HG2 ARG 23 2HG ARG 23 -2.772 -1.336 -3.583 182 HG3 ARG 23 1HG ARG 23 -1.309 -0.595 -2.954 183 HD2 ARG 23 2HD ARG 23 -0.541 -2.838 -2.236 184 HD3 ARG 23 1HD ARG 23 -1.994 -3.546 -2.944 185 HE ARG 23 HE ARG 23 -0.904 -2.174 -5.021 186 HH11 ARG 23 1HH1 ARG 23 0.437 -4.637 -2.875 187 HH12 ARG 23 2HH1 ARG 23 1.550 -5.241 -4.063 188 HH21 ARG 23 1HH2 ARG 23 0.575 -2.993 -6.556 189 HH22 ARG 23 2HH2 ARG 23 1.623 -4.310 -6.142 190 H GLU 24 H GLU 24 -5.977 -1.118 -0.546 191 HA GLU 24 HA GLU 24 -6.070 0.115 2.071 192 HB2 GLU 24 2HB GLU 24 -7.896 -2.049 0.927 193 HB3 GLU 24 1HB GLU 24 -8.203 -1.077 2.354 194 HG2 GLU 24 2HG GLU 24 -9.577 -0.089 0.753 195 HG3 GLU 24 1HG GLU 24 -8.163 0.960 0.765 196 H LYS 25 H LYS 25 -5.657 -3.150 0.749 197 HA LYS 25 HA LYS 25 -4.325 -4.044 3.240 198 HB2 LYS 25 2HB LYS 25 -6.288 -5.627 1.524 199 HB3 LYS 25 1HB LYS 25 -5.245 -6.364 2.740 200 HG2 LYS 25 2HG LYS 25 -6.334 -5.024 4.504 201 HG3 LYS 25 1HG LYS 25 -7.391 -4.274 3.302 202 HD2 LYS 25 2HD LYS 25 -7.302 -7.241 4.012 203 HD3 LYS 25 1HD LYS 25 -8.524 -6.084 4.553 204 HE2 LYS 25 2HE LYS 25 -8.017 -6.875 1.657 205 HE3 LYS 25 1HE LYS 25 -9.326 -7.478 2.678 206 HZ1 LYS 25 3HZ LYS 25 -8.933 -4.639 1.878 207 HZ2 LYS 25 1HZ LYS 25 -10.186 -5.227 2.841 208 HZ3 LYS 25 2HZ LYS 25 -10.072 -5.702 1.225 209 H CYS 26 H CYS 26 -2.917 -6.024 2.795 210 HA CYS 26 HA CYS 26 -1.083 -5.497 0.675 211 HB2 CYS 26 2HB CYS 26 -0.268 -6.396 2.770 212 HB3 CYS 26 1HB CYS 26 -1.296 -7.819 2.620 213 H PHE 27 H PHE 27 -0.503 -6.837 -1.069 214 HA PHE 27 HA PHE 27 -2.758 -7.692 -2.579 215 HB2 PHE 27 2HB PHE 27 -1.259 -7.937 -4.433 216 HB3 PHE 27 1HB PHE 27 -0.719 -6.543 -3.520 217 HD1 PHE 27 2HD PHE 27 1.253 -6.939 -1.820 218 HD2 PHE 27 1HD PHE 27 0.330 -9.564 -5.072 219 HE1 PHE 27 2HE PHE 27 3.540 -7.823 -1.771 220 HE2 PHE 27 1HE PHE 27 2.621 -10.437 -5.011 221 HZ PHE 27 HZ PHE 27 4.231 -9.568 -3.362 222 H LYS 28 H LYS 28 -0.341 -9.389 -0.689 223 HA LYS 28 HA LYS 28 -1.553 -11.985 -1.467 224 HB2 LYS 28 2HB LYS 28 0.638 -13.046 -0.873 225 HB3 LYS 28 1HB LYS 28 0.692 -11.987 -2.257 226 HG2 LYS 28 2HG LYS 28 2.677 -11.466 -1.207 227 HG3 LYS 28 1HG LYS 28 1.620 -10.194 -0.598 228 HD2 LYS 28 2HD LYS 28 3.136 -11.214 1.122 229 HD3 LYS 28 1HD LYS 28 1.435 -11.326 1.543 230 HE2 LYS 28 2HE LYS 28 1.439 -13.715 0.729 231 HE3 LYS 28 1HE LYS 28 3.175 -13.562 0.454 232 HZ1 LYS 28 3HZ LYS 28 3.489 -13.167 2.798 233 HZ2 LYS 28 1HZ LYS 28 2.687 -14.629 2.557 234 HZ3 LYS 28 2HZ LYS 28 1.823 -13.274 3.084 235 H CYS 29 H CYS 29 -0.103 -10.216 1.306 236 HA CYS 29 HA CYS 29 -0.783 -12.219 3.226 237 HB2 CYS 29 2HB CYS 29 1.185 -10.890 3.512 238 HB3 CYS 29 1HB CYS 29 0.298 -9.397 3.337 239 H GLY 30 H GLY 30 -2.246 -9.258 2.089 240 HA2 GLY 30 2HA GLY 30 -4.319 -8.349 2.366 241 HA3 GLY 30 1HA GLY 30 -4.802 -9.791 3.252 242 H VAL 31 H VAL 31 -1.977 -8.104 4.448 243 HA VAL 31 HA VAL 31 -3.250 -7.396 6.888 244 HB VAL 31 HB VAL 31 -0.879 -7.792 7.069 245 HG11 VAL 31 1HG1 VAL 31 -0.400 -5.489 5.151 246 HG12 VAL 31 2HG1 VAL 31 -0.145 -7.201 4.807 247 HG13 VAL 31 3HG1 VAL 31 0.848 -6.390 6.019 248 HG21 VAL 31 3HG2 VAL 31 -1.335 -4.803 7.459 249 HG22 VAL 31 1HG2 VAL 31 -0.114 -5.794 8.270 250 HG23 VAL 31 2HG2 VAL 31 -1.834 -6.060 8.592 251 HA PRO 32 HA PRO 32 -5.160 -3.466 5.662 252 HB2 PRO 32 2HB PRO 32 -5.056 -3.204 8.680 253 HB3 PRO 32 1HB PRO 32 -6.402 -2.865 7.566 254 HG2 PRO 32 2HG PRO 32 -6.484 -5.084 8.963 255 HG3 PRO 32 1HG PRO 32 -6.861 -5.142 7.229 256 HD2 PRO 32 2HD PRO 32 -4.300 -5.927 8.592 257 HD3 PRO 32 1HD PRO 32 -5.208 -6.782 7.319 258 H LYS 33 H LYS 33 -4.211 -1.634 5.165 259 HA LYS 33 HA LYS 33 -1.602 -0.886 5.360 260 HB2 LYS 33 2HB LYS 33 -3.290 0.122 3.845 261 HB3 LYS 33 1HB LYS 33 -4.049 0.926 5.218 262 HG2 LYS 33 2HG LYS 33 -1.849 2.165 5.550 263 HG3 LYS 33 1HG LYS 33 -1.324 1.492 4.008 264 HD2 LYS 33 2HD LYS 33 -2.171 3.735 3.637 265 HD3 LYS 33 1HD LYS 33 -3.286 2.578 2.904 266 HE2 LYS 33 2HE LYS 33 -4.777 2.799 4.894 267 HE3 LYS 33 1HE LYS 33 -3.657 3.980 5.576 268 HZ1 LYS 33 3HZ LYS 33 -5.074 4.306 2.984 269 HZ2 LYS 33 1HZ LYS 33 -4.095 5.455 3.748 270 HZ3 LYS 33 2HZ LYS 33 -5.569 5.001 4.442 271 H SER 34 H SER 34 -4.148 -0.311 7.708 272 HA SER 34 HA SER 34 -3.065 1.741 9.268 273 HB2 SER 34 2HB SER 34 -4.710 0.840 11.006 274 HB3 SER 34 1HB SER 34 -5.408 1.198 9.429 275 HG SER 34 HG SER 34 -5.493 -1.096 10.716 276 H GLU 35 H GLU 35 -2.694 -1.800 9.473 277 HA GLU 35 HA GLU 35 -1.307 -1.775 12.004 278 HB2 GLU 35 2HB GLU 35 -1.448 -4.017 9.939 279 HB3 GLU 35 1HB GLU 35 -0.922 -4.177 11.618 280 HG2 GLU 35 2HG GLU 35 -3.266 -3.400 12.273 281 HG3 GLU 35 1HG GLU 35 -3.721 -3.616 10.581 282 H ALA 36 H ALA 36 -0.377 -1.324 8.721 283 HA ALA 36 HA ALA 36 2.435 -1.999 9.093 284 HB1 ALA 36 1HB ALA 36 2.678 -1.368 6.729 285 HB2 ALA 36 2HB ALA 36 1.013 -0.778 6.700 286 HB3 ALA 36 3HB ALA 36 1.336 -2.496 6.939 287 H GLU 37 H GLU 37 0.900 0.967 7.755 288 HA GLU 37 HA GLU 37 2.855 2.645 9.134 289 HB2 GLU 37 2HB GLU 37 1.746 4.538 7.900 290 HB3 GLU 37 1HB GLU 37 2.454 3.309 6.865 291 HG2 GLU 37 2HG GLU 37 0.184 2.373 6.473 292 HG3 GLU 37 1HG GLU 37 -0.497 3.659 7.469 293 H GLN 38 H GLN 38 2.347 2.417 11.267 294 HA GLN 38 HA GLN 38 -0.297 2.586 12.377 295 HB2 GLN 38 2HB GLN 38 2.421 2.772 13.746 296 HB3 GLN 38 1HB GLN 38 0.876 2.502 14.557 297 HG2 GLN 38 2HG GLN 38 0.642 0.329 13.461 298 HG3 GLN 38 1HG GLN 38 2.108 0.611 12.519 299 HE21 GLN 38 1HE2 GLN 38 1.443 -1.534 14.418 300 HE22 GLN 38 2HE2 GLN 38 2.699 -1.515 15.607 301 H LYS 39 H LYS 39 -1.223 4.499 11.838 302 HA LYS 39 HA LYS 39 -0.006 7.057 12.738 303 HB2 LYS 39 2HB LYS 39 -1.756 6.487 10.311 304 HB3 LYS 39 1HB LYS 39 -1.335 8.109 10.856 305 HG2 LYS 39 2HG LYS 39 0.938 7.854 10.257 306 HG3 LYS 39 1HG LYS 39 0.811 6.098 10.144 307 HD2 LYS 39 2HD LYS 39 0.957 7.166 7.926 308 HD3 LYS 39 1HD LYS 39 -0.543 6.266 8.139 309 HE2 LYS 39 2HE LYS 39 -1.691 8.459 8.653 310 HE3 LYS 39 1HE LYS 39 -0.183 9.279 8.231 311 HZ1 LYS 39 3HZ LYS 39 -1.679 9.222 6.352 312 HZ2 LYS 39 1HZ LYS 39 -1.791 7.535 6.442 313 HZ3 LYS 39 2HZ LYS 39 -0.325 8.264 6.027 314 H LEU 40 H LEU 40 -1.354 8.549 13.656 315 HA LEU 40 HA LEU 40 -3.572 7.827 15.185 316 HB2 LEU 40 2HB LEU 40 -3.729 10.137 15.764 317 HB3 LEU 40 1HB LEU 40 -2.029 9.807 15.544 318 HG LEU 40 HG LEU 40 -3.774 11.251 13.489 319 HD11 LEU 40 1HD1 LEU 40 -3.551 12.593 15.524 320 HD12 LEU 40 2HD1 LEU 40 -2.649 13.311 14.190 321 HD13 LEU 40 3HD1 LEU 40 -1.795 12.425 15.458 322 HD21 LEU 40 3HD2 LEU 40 -1.660 11.892 12.417 323 HD22 LEU 40 1HD2 LEU 40 -1.826 10.138 12.466 324 HD23 LEU 40 2HD2 LEU 40 -0.752 10.952 13.605 325 HA PRO 41 HA PRO 41 -7.057 8.220 12.277 326 HB2 PRO 41 2HB PRO 41 -8.763 9.241 14.493 327 HB3 PRO 41 1HB PRO 41 -8.901 7.716 13.595 328 HG2 PRO 41 2HG PRO 41 -8.117 7.741 16.161 329 HG3 PRO 41 1HG PRO 41 -7.429 6.596 14.986 330 HD2 PRO 41 2HD PRO 41 -6.235 9.187 15.992 331 HD3 PRO 41 1HD PRO 41 -5.467 7.589 15.820 332 H LEU 42 H LEU 42 -5.673 10.112 11.472 333 HA LEU 42 HA LEU 42 -6.361 12.817 12.185 334 HB2 LEU 42 2HB LEU 42 -4.067 12.095 11.460 335 HB3 LEU 42 1HB LEU 42 -4.699 11.740 9.864 336 HG LEU 42 HG LEU 42 -5.205 14.157 9.525 337 HD11 LEU 42 1HD1 LEU 42 -5.594 14.831 11.835 338 HD12 LEU 42 2HD1 LEU 42 -4.360 15.844 11.093 339 HD13 LEU 42 3HD1 LEU 42 -3.891 14.571 12.225 340 HD21 LEU 42 3HD2 LEU 42 -2.331 13.616 10.328 341 HD22 LEU 42 1HD2 LEU 42 -2.890 14.937 9.296 342 HD23 LEU 42 2HD2 LEU 42 -3.061 13.268 8.757 343 H GLY 43 H GLY 43 -6.947 10.621 9.475 344 HA2 GLY 43 2HA GLY 43 -9.155 12.359 8.482 345 HA3 GLY 43 1HA GLY 43 -8.128 11.374 7.438 Start of MODEL 18 1 H1 GLY 1 H GLY 1 20.407 5.403 -0.830 2 HA2 GLY 1 1HA GLY 1 21.856 2.988 -0.370 3 HA3 GLY 1 2HA GLY 1 21.326 3.613 1.186 4 H HIS 2 H HIS 2 19.871 3.501 -2.041 5 HA HIS 2 HA HIS 2 17.819 3.030 -2.838 6 HB2 HIS 2 2HB HIS 2 17.156 0.669 -2.678 7 HB3 HIS 2 1HB HIS 2 18.889 0.817 -2.886 8 HD1 HIS 2 1HD HIS 2 16.327 -0.034 -0.207 9 HD2 HIS 2 2HD HIS 2 20.388 -0.489 -0.945 10 HE1 HIS 2 1HE HIS 2 17.177 -1.568 1.586 11 HE2 HIS 2 2HE HIS 2 19.657 -1.635 1.238 12 H MET 3 H MET 3 17.538 4.662 -0.521 13 HA MET 3 HA MET 3 14.851 3.836 0.421 14 HB2 MET 3 2HB MET 3 16.531 3.658 2.277 15 HB3 MET 3 1HB MET 3 16.897 5.370 2.084 16 HG2 MET 3 2HG MET 3 14.618 5.972 2.733 17 HG3 MET 3 1HG MET 3 14.161 4.270 2.809 18 HE1 MET 3 3HE MET 3 13.179 4.608 5.281 19 HE2 MET 3 1HE MET 3 13.592 6.323 5.169 20 HE3 MET 3 2HE MET 3 14.090 5.381 6.574 21 HA PRO 4 HA PRO 4 14.244 7.940 -1.634 22 HB2 PRO 4 2HB PRO 4 11.718 7.357 -2.595 23 HB3 PRO 4 1HB PRO 4 13.202 6.894 -3.457 24 HG2 PRO 4 2HG PRO 4 11.447 5.209 -1.692 25 HG3 PRO 4 1HG PRO 4 12.200 4.801 -3.252 26 HD2 PRO 4 2HD PRO 4 13.265 4.001 -0.869 27 HD3 PRO 4 1HD PRO 4 14.269 4.340 -2.293 28 H LYS 5 H LYS 5 13.173 9.665 -0.710 29 HA LYS 5 HA LYS 5 11.902 9.430 1.844 30 HB2 LYS 5 2HB LYS 5 12.018 11.861 0.001 31 HB3 LYS 5 1HB LYS 5 11.613 11.879 1.717 32 HG2 LYS 5 2HG LYS 5 14.298 11.143 0.509 33 HG3 LYS 5 1HG LYS 5 13.901 12.659 1.330 34 HD2 LYS 5 2HD LYS 5 13.520 11.406 3.445 35 HD3 LYS 5 1HD LYS 5 13.901 9.890 2.618 36 HE2 LYS 5 2HE LYS 5 16.181 10.733 2.161 37 HE3 LYS 5 1HE LYS 5 15.801 12.220 3.035 38 HZ1 LYS 5 3HZ LYS 5 15.756 9.489 4.213 39 HZ2 LYS 5 1HZ LYS 5 15.485 10.933 5.043 40 HZ3 LYS 5 2HZ LYS 5 17.010 10.601 4.400 41 H ILE 6 H ILE 6 10.750 9.187 -1.336 42 HA ILE 6 HA ILE 6 8.074 10.020 -1.107 43 HB ILE 6 HB ILE 6 9.252 7.801 -2.857 44 HG12 ILE 6 2HG1 ILE 6 8.876 9.616 -4.718 45 HG13 ILE 6 1HG1 ILE 6 8.777 10.770 -3.395 46 HG21 ILE 6 1HG2 ILE 6 6.529 9.131 -3.079 47 HG22 ILE 6 2HG2 ILE 6 6.837 7.463 -2.589 48 HG23 ILE 6 3HG2 ILE 6 7.208 7.978 -4.235 49 HD11 ILE 6 3HD1 ILE 6 11.062 10.185 -2.738 50 HD12 ILE 6 1HD1 ILE 6 10.980 10.743 -4.408 51 HD13 ILE 6 2HD1 ILE 6 11.144 9.020 -4.062 52 H ASN 7 H ASN 7 6.897 9.374 0.589 53 HA ASN 7 HA ASN 7 6.998 6.607 1.617 54 HB2 ASN 7 2HB ASN 7 5.682 7.589 3.540 55 HB3 ASN 7 1HB ASN 7 7.277 8.289 3.326 56 HD21 ASN 7 1HD2 ASN 7 7.454 10.419 2.522 57 HD22 ASN 7 2HD2 ASN 7 6.128 11.531 2.599 58 H GLU 8 H GLU 8 5.815 7.219 -0.924 59 HA GLU 8 HA GLU 8 2.959 6.793 -0.589 60 HB2 GLU 8 2HB GLU 8 3.907 8.305 -2.375 61 HB3 GLU 8 1HB GLU 8 4.604 6.892 -3.151 62 HG2 GLU 8 2HG GLU 8 2.528 7.642 -4.258 63 HG3 GLU 8 1HG GLU 8 2.388 6.000 -3.646 64 H ASP 9 H ASP 9 5.300 4.854 0.096 65 HA ASP 9 HA ASP 9 3.783 2.453 -0.695 66 HB2 ASP 9 2HB ASP 9 6.829 2.670 -0.537 67 HB3 ASP 9 1HB ASP 9 5.935 1.171 -0.766 68 H TRP 10 H TRP 10 4.100 0.694 0.878 69 HA TRP 10 HA TRP 10 5.222 1.398 3.495 70 HB2 TRP 10 2HB TRP 10 3.249 0.439 4.693 71 HB3 TRP 10 1HB TRP 10 2.834 1.889 3.794 72 HD1 TRP 10 HD TRP 10 1.562 1.380 1.346 73 HE1 TRP 10 1HE TRP 10 -0.292 -0.318 0.840 74 HE3 TRP 10 3HE TRP 10 2.386 -1.877 5.194 75 HZ2 TRP 10 2HZ TRP 10 -1.274 -2.715 1.911 76 HZ3 TRP 10 3HZ TRP 10 0.943 -3.869 5.373 77 HH2 TRP 10 HH TRP 10 -0.843 -4.283 3.758 78 H LEU 11 H LEU 11 5.976 -0.368 4.644 79 HA LEU 11 HA LEU 11 6.241 -2.915 3.223 80 HB2 LEU 11 2HB LEU 11 7.712 -1.629 5.562 81 HB3 LEU 11 1HB LEU 11 7.877 -3.332 5.215 82 HG LEU 11 HG LEU 11 9.778 -2.162 4.284 83 HD11 LEU 11 1HD1 LEU 11 7.934 -3.036 2.053 84 HD12 LEU 11 2HD1 LEU 11 8.980 -4.076 3.025 85 HD13 LEU 11 3HD1 LEU 11 9.690 -2.867 1.961 86 HD21 LEU 11 3HD2 LEU 11 7.854 -0.454 2.673 87 HD22 LEU 11 1HD2 LEU 11 9.618 -0.431 2.557 88 HD23 LEU 11 2HD2 LEU 11 8.825 0.085 4.044 89 H CYS 12 H CYS 12 5.095 -4.634 3.869 90 HA CYS 12 HA CYS 12 3.009 -4.541 5.721 91 HB2 CYS 12 2HB CYS 12 2.951 -6.189 3.960 92 HB3 CYS 12 1HB CYS 12 4.463 -6.915 4.510 93 H ASN 13 H ASN 13 2.725 -5.564 7.758 94 HA ASN 13 HA ASN 13 5.150 -5.799 9.415 95 HB2 ASN 13 2HB ASN 13 3.608 -5.765 11.369 96 HB3 ASN 13 1HB ASN 13 3.399 -4.368 10.325 97 HD21 ASN 13 1HD2 ASN 13 1.327 -3.913 11.072 98 HD22 ASN 13 2HD2 ASN 13 -0.034 -4.921 10.718 99 H LYS 14 H LYS 14 2.604 -7.777 8.033 100 HA LYS 14 HA LYS 14 3.348 -10.166 9.547 101 HB2 LYS 14 2HB LYS 14 1.276 -9.796 7.346 102 HB3 LYS 14 1HB LYS 14 1.593 -11.322 8.168 103 HG2 LYS 14 2HG LYS 14 1.018 -10.049 10.342 104 HG3 LYS 14 1HG LYS 14 0.351 -8.799 9.289 105 HD2 LYS 14 2HD LYS 14 -0.551 -11.710 9.474 106 HD3 LYS 14 1HD LYS 14 -1.432 -10.294 10.050 107 HE2 LYS 14 2HE LYS 14 -1.694 -9.503 7.739 108 HE3 LYS 14 1HE LYS 14 -0.771 -10.878 7.144 109 HZ1 LYS 14 3HZ LYS 14 -2.510 -12.334 8.076 110 HZ2 LYS 14 1HZ LYS 14 -3.094 -11.303 6.870 111 HZ3 LYS 14 2HZ LYS 14 -3.411 -10.969 8.494 112 H CYS 15 H CYS 15 2.965 -9.696 5.903 113 HA CYS 15 HA CYS 15 4.778 -11.913 5.444 114 HB2 CYS 15 2HB CYS 15 4.341 -11.399 3.044 115 HB3 CYS 15 1HB CYS 15 2.868 -11.589 3.990 116 H GLY 16 H GLY 16 5.004 -8.446 5.547 117 HA2 GLY 16 2HA GLY 16 6.861 -7.123 5.808 118 HA3 GLY 16 1HA GLY 16 7.898 -8.521 5.567 119 H VAL 17 H VAL 17 5.531 -7.971 3.110 120 HA VAL 17 HA VAL 17 7.646 -7.595 1.150 121 HB VAL 17 HB VAL 17 5.931 -7.869 -0.573 122 HG11 VAL 17 1HG1 VAL 17 5.529 -9.855 1.690 123 HG12 VAL 17 2HG1 VAL 17 6.815 -9.905 0.477 124 HG13 VAL 17 3HG1 VAL 17 5.132 -10.128 -0.012 125 HG21 VAL 17 3HG2 VAL 17 4.093 -6.594 0.410 126 HG22 VAL 17 1HG2 VAL 17 3.905 -7.793 1.690 127 HG23 VAL 17 2HG2 VAL 17 3.538 -8.222 0.016 128 H GLN 18 H GLN 18 7.395 -5.979 -0.602 129 HA GLN 18 HA GLN 18 6.973 -3.309 0.497 130 HB2 GLN 18 2HB GLN 18 9.076 -4.035 -0.789 131 HB3 GLN 18 1HB GLN 18 8.092 -4.085 -2.243 132 HG2 GLN 18 2HG GLN 18 8.508 -1.580 -0.563 133 HG3 GLN 18 1HG GLN 18 9.527 -2.014 -1.929 134 HE21 GLN 18 1HE2 GLN 18 6.418 -0.804 -0.945 135 HE22 GLN 18 2HE2 GLN 18 5.891 -0.300 -2.510 136 H ASN 19 H ASN 19 4.854 -2.808 0.478 137 HA ASN 19 HA ASN 19 3.132 -3.371 -1.852 138 HB2 ASN 19 2HB ASN 19 2.131 -2.097 0.716 139 HB3 ASN 19 1HB ASN 19 1.268 -3.105 -0.435 140 HD21 ASN 19 1HD2 ASN 19 1.352 -5.321 -0.190 141 HD22 ASN 19 2HD2 ASN 19 2.018 -6.091 1.200 142 H PHE 20 H PHE 20 1.998 -1.710 -2.868 143 HA PHE 20 HA PHE 20 3.033 0.997 -2.761 144 HB2 PHE 20 2HB PHE 20 2.423 -0.269 -4.883 145 HB3 PHE 20 1HB PHE 20 0.741 -0.194 -4.395 146 HD1 PHE 20 2HD PHE 20 3.003 2.731 -3.949 147 HD2 PHE 20 1HD PHE 20 0.083 0.860 -6.470 148 HE1 PHE 20 2HE PHE 20 2.782 4.802 -5.258 149 HE2 PHE 20 1HE PHE 20 -0.111 2.927 -7.775 150 HZ PHE 20 HZ PHE 20 1.233 4.901 -7.171 151 H LYS 21 H LYS 21 1.862 2.803 -1.855 152 HA LYS 21 HA LYS 21 0.198 1.983 0.335 153 HB2 LYS 21 2HB LYS 21 2.093 3.841 0.207 154 HB3 LYS 21 1HB LYS 21 0.738 4.896 -0.162 155 HG2 LYS 21 2HG LYS 21 -0.354 4.190 1.952 156 HG3 LYS 21 1HG LYS 21 1.015 3.136 2.284 157 HD2 LYS 21 2HD LYS 21 1.313 5.077 3.627 158 HD3 LYS 21 1HD LYS 21 2.486 5.197 2.314 159 HE2 LYS 21 2HE LYS 21 -0.204 6.607 2.281 160 HE3 LYS 21 1HE LYS 21 1.266 7.340 2.913 161 HZ1 LYS 21 3HZ LYS 21 0.827 6.454 0.110 162 HZ2 LYS 21 1HZ LYS 21 2.269 7.091 0.720 163 HZ3 LYS 21 2HZ LYS 21 0.883 8.047 0.664 164 H ARG 22 H ARG 22 -0.684 2.636 -2.755 165 HA ARG 22 HA ARG 22 -3.250 3.872 -2.168 166 HB2 ARG 22 2HB ARG 22 -2.498 2.444 -4.746 167 HB3 ARG 22 1HB ARG 22 -3.715 3.696 -4.512 168 HG2 ARG 22 2HG ARG 22 -0.695 4.008 -4.550 169 HG3 ARG 22 1HG ARG 22 -1.868 4.668 -5.693 170 HD2 ARG 22 2HD ARG 22 -1.603 5.487 -2.782 171 HD3 ARG 22 1HD ARG 22 -0.921 6.363 -4.149 172 HE ARG 22 HE ARG 22 -3.740 6.027 -4.414 173 HH11 ARG 22 1HH1 ARG 22 -1.290 7.958 -2.764 174 HH12 ARG 22 2HH1 ARG 22 -2.325 9.329 -2.579 175 HH21 ARG 22 1HH2 ARG 22 -5.097 7.859 -4.153 176 HH22 ARG 22 2HH2 ARG 22 -4.493 9.279 -3.365 177 H ARG 23 H ARG 23 -1.912 0.794 -1.832 178 HA ARG 23 HA ARG 23 -4.361 -0.732 -2.083 179 HB2 ARG 23 2HB ARG 23 -1.560 -1.445 -1.106 180 HB3 ARG 23 1HB ARG 23 -2.917 -2.536 -0.866 181 HG2 ARG 23 2HG ARG 23 -1.860 -3.317 -2.820 182 HG3 ARG 23 1HG ARG 23 -3.295 -2.462 -3.379 183 HD2 ARG 23 2HD ARG 23 -1.704 -0.423 -3.690 184 HD3 ARG 23 1HD ARG 23 -0.400 -1.604 -3.537 185 HE ARG 23 HE ARG 23 -2.126 -1.176 -5.791 186 HH11 ARG 23 1HH1 ARG 23 -0.075 -3.627 -4.254 187 HH12 ARG 23 2HH1 ARG 23 0.130 -4.527 -5.720 188 HH21 ARG 23 1HH2 ARG 23 -1.807 -2.346 -7.673 189 HH22 ARG 23 2HH2 ARG 23 -0.856 -3.787 -7.665 190 H GLU 24 H GLU 24 -5.789 -1.111 -0.528 191 HA GLU 24 HA GLU 24 -5.775 0.286 1.980 192 HB2 GLU 24 2HB GLU 24 -7.655 -1.983 1.195 193 HB3 GLU 24 1HB GLU 24 -7.979 -0.627 2.275 194 HG2 GLU 24 2HG GLU 24 -7.717 -0.551 -0.754 195 HG3 GLU 24 1HG GLU 24 -9.196 -0.347 0.185 196 H LYS 25 H LYS 25 -5.280 -2.998 0.901 197 HA LYS 25 HA LYS 25 -3.973 -3.737 3.440 198 HB2 LYS 25 2HB LYS 25 -5.960 -5.424 1.840 199 HB3 LYS 25 1HB LYS 25 -4.876 -6.094 3.060 200 HG2 LYS 25 2HG LYS 25 -5.935 -4.676 4.778 201 HG3 LYS 25 1HG LYS 25 -7.044 -4.031 3.556 202 HD2 LYS 25 2HD LYS 25 -8.025 -6.243 3.215 203 HD3 LYS 25 1HD LYS 25 -6.827 -6.986 4.283 204 HE2 LYS 25 2HE LYS 25 -7.714 -5.737 6.174 205 HE3 LYS 25 1HE LYS 25 -8.877 -4.925 5.127 206 HZ1 LYS 25 3HZ LYS 25 -8.793 -7.839 5.706 207 HZ2 LYS 25 1HZ LYS 25 -9.891 -7.073 4.673 208 HZ3 LYS 25 2HZ LYS 25 -9.909 -6.729 6.326 209 H CYS 26 H CYS 26 -2.481 -5.617 3.111 210 HA CYS 26 HA CYS 26 -0.691 -5.359 1.025 211 HB2 CYS 26 2HB CYS 26 -1.282 -7.628 2.921 212 HB3 CYS 26 1HB CYS 26 -0.142 -7.885 1.605 213 H PHE 27 H PHE 27 -0.436 -6.243 -0.943 214 HA PHE 27 HA PHE 27 -2.746 -6.927 -2.440 215 HB2 PHE 27 2HB PHE 27 -1.190 -7.041 -4.373 216 HB3 PHE 27 1HB PHE 27 -0.991 -5.577 -3.428 217 HD1 PHE 27 1HD PHE 27 1.050 -5.185 -2.109 218 HD2 PHE 27 2HD PHE 27 0.623 -8.728 -4.473 219 HE1 PHE 27 1HE PHE 27 3.465 -5.592 -1.952 220 HE2 PHE 27 2HE PHE 27 3.042 -9.126 -4.293 221 HZ PHE 27 HZ PHE 27 4.462 -7.562 -3.037 222 H LYS 28 H LYS 28 -1.067 -8.915 -0.441 223 HA LYS 28 HA LYS 28 -1.887 -11.351 -1.817 224 HB2 LYS 28 2HB LYS 28 0.434 -12.348 -1.432 225 HB3 LYS 28 1HB LYS 28 0.296 -11.166 -2.714 226 HG2 LYS 28 2HG LYS 28 2.278 -10.518 -1.742 227 HG3 LYS 28 1HG LYS 28 1.152 -9.459 -0.911 228 HD2 LYS 28 2HD LYS 28 2.567 -10.229 0.792 229 HD3 LYS 28 1HD LYS 28 1.159 -11.270 0.950 230 HE2 LYS 28 2HE LYS 28 3.771 -12.020 -0.406 231 HE3 LYS 28 1HE LYS 28 3.250 -12.533 1.195 232 HZ1 LYS 28 3HZ LYS 28 1.357 -13.661 0.122 233 HZ2 LYS 28 1HZ LYS 28 2.851 -14.277 -0.363 234 HZ3 LYS 28 2HZ LYS 28 1.982 -13.260 -1.393 235 H CYS 29 H CYS 29 -0.563 -9.858 1.165 236 HA CYS 29 HA CYS 29 -1.235 -12.228 2.742 237 HB2 CYS 29 2HB CYS 29 0.959 -11.165 2.940 238 HB3 CYS 29 1HB CYS 29 0.199 -9.659 3.443 239 H GLY 30 H GLY 30 -2.540 -9.034 2.160 240 HA2 GLY 30 2HA GLY 30 -4.569 -8.131 2.723 241 HA3 GLY 30 1HA GLY 30 -5.008 -9.692 3.388 242 H VAL 31 H VAL 31 -2.231 -7.912 4.694 243 HA VAL 31 HA VAL 31 -3.696 -7.330 7.155 244 HB VAL 31 HB VAL 31 -1.320 -8.018 7.327 245 HG11 VAL 31 1HG1 VAL 31 0.517 -6.516 6.713 246 HG12 VAL 31 2HG1 VAL 31 -0.636 -5.398 5.977 247 HG13 VAL 31 3HG1 VAL 31 -0.416 -7.014 5.298 248 HG21 VAL 31 3HG2 VAL 31 -1.788 -5.191 8.344 249 HG22 VAL 31 1HG2 VAL 31 -0.556 -6.310 8.940 250 HG23 VAL 31 2HG2 VAL 31 -2.265 -6.685 9.156 251 HA PRO 32 HA PRO 32 -5.009 -3.202 5.792 252 HB2 PRO 32 2HB PRO 32 -5.194 -2.074 8.385 253 HB3 PRO 32 1HB PRO 32 -6.497 -2.946 7.545 254 HG2 PRO 32 2HG PRO 32 -4.544 -3.976 9.586 255 HG3 PRO 32 1HG PRO 32 -6.285 -4.312 9.421 256 HD2 PRO 32 2HD PRO 32 -4.488 -6.114 8.597 257 HD3 PRO 32 1HD PRO 32 -5.961 -5.826 7.638 258 H LYS 33 H LYS 33 -3.771 -1.619 5.097 259 HA LYS 33 HA LYS 33 -1.075 -1.146 5.531 260 HB2 LYS 33 2HB LYS 33 -2.297 -0.238 3.615 261 HB3 LYS 33 1HB LYS 33 -3.322 0.725 4.672 262 HG2 LYS 33 2HG LYS 33 -0.911 1.818 5.319 263 HG3 LYS 33 1HG LYS 33 -0.528 1.239 3.693 264 HD2 LYS 33 2HD LYS 33 -1.299 3.535 3.554 265 HD3 LYS 33 1HD LYS 33 -2.504 2.478 2.811 266 HE2 LYS 33 2HE LYS 33 -3.656 4.112 4.182 267 HE3 LYS 33 1HE LYS 33 -3.803 2.553 4.972 268 HZ1 LYS 33 3HZ LYS 33 -2.085 3.160 6.505 269 HZ2 LYS 33 1HZ LYS 33 -3.242 4.387 6.487 270 HZ3 LYS 33 2HZ LYS 33 -1.778 4.606 5.685 271 H SER 34 H SER 34 -3.924 0.212 7.027 272 HA SER 34 HA SER 34 -3.062 2.234 8.649 273 HB2 SER 34 2HB SER 34 -5.396 1.619 8.208 274 HB3 SER 34 1HB SER 34 -5.207 0.117 9.113 275 HG SER 34 HG SER 34 -5.394 1.199 10.950 276 H GLU 35 H GLU 35 -2.613 -1.220 9.154 277 HA GLU 35 HA GLU 35 -1.917 -0.948 11.989 278 HB2 GLU 35 2HB GLU 35 -3.406 -2.802 11.113 279 HB3 GLU 35 1HB GLU 35 -2.018 -3.449 10.242 280 HG2 GLU 35 2HG GLU 35 -0.852 -3.710 12.467 281 HG3 GLU 35 1HG GLU 35 -2.356 -3.226 13.250 282 H ALA 36 H ALA 36 -0.292 -0.996 8.953 283 HA ALA 36 HA ALA 36 2.188 -2.184 9.988 284 HB1 ALA 36 1HB ALA 36 3.002 -2.052 7.685 285 HB2 ALA 36 2HB ALA 36 1.557 -1.156 7.205 286 HB3 ALA 36 3HB ALA 36 1.419 -2.833 7.743 287 H GLU 37 H GLU 37 1.319 0.870 8.296 288 HA GLU 37 HA GLU 37 3.745 2.174 9.361 289 HB2 GLU 37 2HB GLU 37 3.091 3.995 7.649 290 HB3 GLU 37 1HB GLU 37 3.651 2.449 7.043 291 HG2 GLU 37 2HG GLU 37 1.872 3.091 5.635 292 HG3 GLU 37 1HG GLU 37 1.261 1.791 6.642 293 H GLN 38 H GLN 38 0.663 1.790 10.300 294 HA GLN 38 HA GLN 38 -0.650 2.586 11.896 295 HB2 GLN 38 2HB GLN 38 1.296 3.115 13.287 296 HB3 GLN 38 1HB GLN 38 1.496 4.652 12.465 297 HG2 GLN 38 2HG GLN 38 0.484 5.038 14.637 298 HG3 GLN 38 1HG GLN 38 -0.675 5.439 13.377 299 HE21 GLN 38 1HE2 GLN 38 -1.170 4.833 16.191 300 HE22 GLN 38 2HE2 GLN 38 -2.249 3.483 16.229 301 H LYS 39 H LYS 39 -2.503 3.611 11.627 302 HA LYS 39 HA LYS 39 -3.076 5.289 9.470 303 HB2 LYS 39 2HB LYS 39 -5.325 5.617 10.542 304 HB3 LYS 39 1HB LYS 39 -4.822 3.936 10.429 305 HG2 LYS 39 2HG LYS 39 -4.178 3.961 12.813 306 HG3 LYS 39 1HG LYS 39 -4.704 5.647 12.931 307 HD2 LYS 39 2HD LYS 39 -7.021 4.992 12.408 308 HD3 LYS 39 1HD LYS 39 -6.521 3.315 12.161 309 HE2 LYS 39 2HE LYS 39 -5.887 3.149 14.525 310 HE3 LYS 39 1HE LYS 39 -6.347 4.834 14.781 311 HZ1 LYS 39 3HZ LYS 39 -8.616 4.268 14.210 312 HZ2 LYS 39 1HZ LYS 39 -8.084 3.316 15.501 313 HZ3 LYS 39 2HZ LYS 39 -8.193 2.658 13.945 314 H LEU 40 H LEU 40 -3.297 7.430 9.190 315 HA LEU 40 HA LEU 40 -2.078 9.229 11.107 316 HB2 LEU 40 2HB LEU 40 -3.132 9.615 8.276 317 HB3 LEU 40 1HB LEU 40 -2.484 10.932 9.236 318 HG LEU 40 HG LEU 40 -0.256 9.739 9.321 319 HD11 LEU 40 1HD1 LEU 40 -0.976 7.443 8.993 320 HD12 LEU 40 2HD1 LEU 40 0.225 7.902 7.789 321 HD13 LEU 40 3HD1 LEU 40 -1.482 7.814 7.342 322 HD21 LEU 40 3HD2 LEU 40 0.427 10.261 7.035 323 HD22 LEU 40 1HD2 LEU 40 -0.655 11.500 7.666 324 HD23 LEU 40 2HD2 LEU 40 -1.263 10.304 6.517 325 HA PRO 41 HA PRO 41 -6.060 10.596 12.728 326 HB2 PRO 41 2HB PRO 41 -5.323 12.879 14.028 327 HB3 PRO 41 1HB PRO 41 -4.822 11.267 14.595 328 HG2 PRO 41 2HG PRO 41 -3.254 13.264 12.978 329 HG3 PRO 41 1HG PRO 41 -2.735 12.292 14.375 330 HD2 PRO 41 2HD PRO 41 -2.170 11.577 11.786 331 HD3 PRO 41 1HD PRO 41 -2.363 10.389 13.094 332 H LEU 42 H LEU 42 -4.413 12.149 10.255 333 HA LEU 42 HA LEU 42 -6.804 13.615 9.398 334 HB2 LEU 42 2HB LEU 42 -5.280 15.265 10.503 335 HB3 LEU 42 1HB LEU 42 -3.990 14.793 9.414 336 HG LEU 42 HG LEU 42 -5.325 15.695 7.481 337 HD11 LEU 42 1HD1 LEU 42 -7.246 16.677 9.598 338 HD12 LEU 42 2HD1 LEU 42 -7.569 15.441 8.378 339 HD13 LEU 42 3HD1 LEU 42 -7.271 17.104 7.882 340 HD21 LEU 42 3HD2 LEU 42 -3.625 17.079 8.562 341 HD22 LEU 42 1HD2 LEU 42 -4.826 17.694 9.703 342 HD23 LEU 42 2HD2 LEU 42 -4.968 18.060 7.979 343 H GLY 43 H GLY 43 -7.220 12.186 7.775 344 HA2 GLY 43 2HA GLY 43 -5.243 11.006 6.065 345 HA3 GLY 43 1HA GLY 43 -6.988 10.935 5.862 Start of MODEL 19 1 H1 GLY 1 H GLY 1 23.786 6.684 1.027 2 HA2 GLY 1 1HA GLY 1 24.664 4.818 -0.937 3 HA3 GLY 1 2HA GLY 1 23.427 4.042 0.045 4 H HIS 2 H HIS 2 21.979 3.939 -1.704 5 HA HIS 2 HA HIS 2 20.616 6.489 -2.334 6 HB2 HIS 2 2HB HIS 2 21.364 4.295 -4.321 7 HB3 HIS 2 1HB HIS 2 20.186 5.560 -4.675 8 HD1 HIS 2 1HD HIS 2 23.860 4.958 -4.317 9 HD2 HIS 2 2HD HIS 2 21.302 8.129 -5.126 10 HE1 HIS 2 1HE HIS 2 25.333 6.836 -5.090 11 HE2 HIS 2 2HE HIS 2 23.778 8.788 -5.366 12 H MET 3 H MET 3 18.445 6.414 -2.316 13 HA MET 3 HA MET 3 17.020 3.824 -2.066 14 HB2 MET 3 2HB MET 3 16.417 6.431 -0.580 15 HB3 MET 3 1HB MET 3 15.358 5.028 -0.586 16 HG2 MET 3 2HG MET 3 17.081 3.714 0.563 17 HG3 MET 3 1HG MET 3 18.158 5.111 0.562 18 HE1 MET 3 3HE MET 3 16.216 7.587 2.964 19 HE2 MET 3 1HE MET 3 16.072 7.539 1.206 20 HE3 MET 3 2HE MET 3 17.654 7.369 1.973 21 HA PRO 4 HA PRO 4 14.377 5.346 -5.446 22 HB2 PRO 4 2HB PRO 4 12.076 4.254 -3.832 23 HB3 PRO 4 1HB PRO 4 12.510 3.950 -5.529 24 HG2 PRO 4 2HG PRO 4 12.971 2.085 -3.695 25 HG3 PRO 4 1HG PRO 4 14.166 2.400 -4.977 26 HD2 PRO 4 2HD PRO 4 14.219 3.287 -2.095 27 HD3 PRO 4 1HD PRO 4 15.545 2.667 -3.108 28 H LYS 5 H LYS 5 13.495 5.942 -2.070 29 HA LYS 5 HA LYS 5 12.807 7.734 -0.901 30 HB2 LYS 5 2HB LYS 5 13.718 9.285 -3.347 31 HB3 LYS 5 1HB LYS 5 13.305 10.025 -1.802 32 HG2 LYS 5 2HG LYS 5 15.165 8.947 -0.696 33 HG3 LYS 5 1HG LYS 5 15.521 7.969 -2.126 34 HD2 LYS 5 2HD LYS 5 16.088 10.045 -3.382 35 HD3 LYS 5 1HD LYS 5 15.761 11.004 -1.934 36 HE2 LYS 5 2HE LYS 5 17.609 9.969 -0.767 37 HE3 LYS 5 1HE LYS 5 17.863 8.826 -2.090 38 HZ1 LYS 5 3HZ LYS 5 18.433 10.686 -3.526 39 HZ2 LYS 5 1HZ LYS 5 19.457 10.626 -2.182 40 HZ3 LYS 5 2HZ LYS 5 18.215 11.771 -2.252 41 H ILE 6 H ILE 6 11.045 6.525 -3.168 42 HA ILE 6 HA ILE 6 8.779 8.433 -2.931 43 HB ILE 6 HB ILE 6 9.662 8.049 -5.287 44 HG12 ILE 6 2HG1 ILE 6 6.823 7.005 -4.890 45 HG13 ILE 6 1HG1 ILE 6 7.282 8.704 -4.923 46 HG21 ILE 6 1HG2 ILE 6 9.311 5.907 -6.419 47 HG22 ILE 6 2HG2 ILE 6 8.701 5.199 -4.923 48 HG23 ILE 6 3HG2 ILE 6 10.386 5.717 -5.030 49 HD11 ILE 6 3HD1 ILE 6 6.338 8.067 -7.043 50 HD12 ILE 6 1HD1 ILE 6 7.502 6.753 -7.223 51 HD13 ILE 6 2HD1 ILE 6 8.048 8.433 -7.254 52 H ASN 7 H ASN 7 9.755 6.518 -1.010 53 HA ASN 7 HA ASN 7 8.232 4.038 -1.195 54 HB2 ASN 7 2HB ASN 7 10.299 5.004 0.845 55 HB3 ASN 7 1HB ASN 7 9.632 3.375 0.772 56 HD21 ASN 7 1HD2 ASN 7 10.362 1.953 -0.881 57 HD22 ASN 7 2HD2 ASN 7 11.754 2.316 -1.841 58 H GLU 8 H GLU 8 6.678 6.494 -0.777 59 HA GLU 8 HA GLU 8 5.649 6.554 1.886 60 HB2 GLU 8 2HB GLU 8 5.319 8.377 0.165 61 HB3 GLU 8 1HB GLU 8 4.204 7.328 -0.696 62 HG2 GLU 8 2HG GLU 8 2.995 8.988 0.646 63 HG3 GLU 8 1HG GLU 8 2.665 7.356 1.228 64 H ASP 9 H ASP 9 5.318 4.352 -0.709 65 HA ASP 9 HA ASP 9 3.138 2.784 -0.126 66 HB2 ASP 9 2HB ASP 9 5.873 1.551 -0.559 67 HB3 ASP 9 1HB ASP 9 4.326 0.962 -1.126 68 H TRP 10 H TRP 10 2.511 1.797 1.712 69 HA TRP 10 HA TRP 10 4.160 1.875 4.063 70 HB2 TRP 10 2HB TRP 10 2.195 0.724 5.168 71 HB3 TRP 10 1HB TRP 10 1.823 2.262 4.404 72 HD1 TRP 10 HD TRP 10 0.224 2.200 2.217 73 HE1 TRP 10 1HE TRP 10 -1.411 0.416 1.359 74 HE3 TRP 10 3HE TRP 10 1.845 -1.785 4.968 75 HZ2 TRP 10 2HZ TRP 10 -1.949 -2.314 1.788 76 HZ3 TRP 10 3HZ TRP 10 0.720 -3.949 4.693 77 HH2 TRP 10 HH TRP 10 -1.133 -4.208 3.137 78 H LEU 11 H LEU 11 5.320 0.285 4.979 79 HA LEU 11 HA LEU 11 5.833 -2.168 3.479 80 HB2 LEU 11 2HB LEU 11 7.597 -0.525 4.600 81 HB3 LEU 11 1HB LEU 11 7.217 -1.374 6.078 82 HG LEU 11 HG LEU 11 9.334 -2.138 4.941 83 HD11 LEU 11 1HD1 LEU 11 7.257 -4.312 5.207 84 HD12 LEU 11 2HD1 LEU 11 8.256 -3.647 6.501 85 HD13 LEU 11 3HD1 LEU 11 9.010 -4.542 5.183 86 HD21 LEU 11 3HD2 LEU 11 9.246 -3.496 2.912 87 HD22 LEU 11 1HD2 LEU 11 8.609 -1.880 2.609 88 HD23 LEU 11 2HD2 LEU 11 7.503 -3.243 2.790 89 H CYS 12 H CYS 12 4.834 -4.072 4.024 90 HA CYS 12 HA CYS 12 2.879 -4.310 6.036 91 HB2 CYS 12 2HB CYS 12 2.773 -5.718 4.073 92 HB3 CYS 12 1HB CYS 12 4.348 -6.414 4.414 93 H ASN 13 H ASN 13 2.821 -5.521 7.943 94 HA ASN 13 HA ASN 13 5.377 -5.862 9.360 95 HB2 ASN 13 2HB ASN 13 3.887 -6.191 11.388 96 HB3 ASN 13 1HB ASN 13 3.765 -4.611 10.632 97 HD21 ASN 13 1HD2 ASN 13 2.145 -7.677 11.124 98 HD22 ASN 13 2HD2 ASN 13 0.560 -7.127 10.726 99 H LYS 14 H LYS 14 2.778 -7.748 7.931 100 HA LYS 14 HA LYS 14 3.606 -10.243 9.198 101 HB2 LYS 14 2HB LYS 14 1.539 -9.790 7.010 102 HB3 LYS 14 1HB LYS 14 1.836 -11.313 7.841 103 HG2 LYS 14 2HG LYS 14 1.227 -10.048 10.006 104 HG3 LYS 14 1HG LYS 14 0.606 -8.779 8.949 105 HD2 LYS 14 2HD LYS 14 -0.370 -11.665 9.132 106 HD3 LYS 14 1HD LYS 14 -1.243 -10.216 9.629 107 HE2 LYS 14 2HE LYS 14 -1.314 -9.481 7.250 108 HE3 LYS 14 1HE LYS 14 -0.493 -10.965 6.790 109 HZ1 LYS 14 3HZ LYS 14 -2.392 -12.203 7.729 110 HZ2 LYS 14 1HZ LYS 14 -2.824 -11.213 6.426 111 HZ3 LYS 14 2HZ LYS 14 -3.188 -10.739 8.004 112 H CYS 15 H CYS 15 3.162 -9.450 5.628 113 HA CYS 15 HA CYS 15 5.133 -11.511 4.972 114 HB2 CYS 15 2HB CYS 15 4.562 -10.852 2.608 115 HB3 CYS 15 1HB CYS 15 3.180 -11.357 3.574 116 H GLY 16 H GLY 16 5.037 -8.040 5.265 117 HA2 GLY 16 2HA GLY 16 6.762 -6.526 5.392 118 HA3 GLY 16 1HA GLY 16 7.909 -7.816 5.069 119 H VAL 17 H VAL 17 5.202 -7.129 2.932 120 HA VAL 17 HA VAL 17 7.044 -6.602 0.728 121 HB VAL 17 HB VAL 17 5.087 -6.717 -0.760 122 HG11 VAL 17 1HG1 VAL 17 4.471 -9.070 -0.411 123 HG12 VAL 17 2HG1 VAL 17 5.119 -9.011 1.230 124 HG13 VAL 17 3HG1 VAL 17 6.199 -8.815 -0.154 125 HG21 VAL 17 3HG2 VAL 17 3.369 -5.677 0.637 126 HG22 VAL 17 1HG2 VAL 17 3.401 -7.049 1.747 127 HG23 VAL 17 2HG2 VAL 17 2.820 -7.264 0.092 128 H GLN 18 H GLN 18 7.127 -4.748 -0.499 129 HA GLN 18 HA GLN 18 5.836 -2.296 0.452 130 HB2 GLN 18 2HB GLN 18 8.210 -2.109 -0.113 131 HB3 GLN 18 1HB GLN 18 7.945 -2.802 -1.705 132 HG2 GLN 18 2HG GLN 18 6.652 -0.832 -2.354 133 HG3 GLN 18 1HG GLN 18 6.826 -0.153 -0.745 134 HE21 GLN 18 1HE2 GLN 18 7.722 1.732 -1.717 135 HE22 GLN 18 2HE2 GLN 18 9.348 1.756 -2.294 136 H ASN 19 H ASN 19 3.821 -1.956 -0.290 137 HA ASN 19 HA ASN 19 2.785 -3.236 -2.700 138 HB2 ASN 19 2HB ASN 19 0.615 -2.507 -1.929 139 HB3 ASN 19 1HB ASN 19 1.493 -3.056 -0.508 140 HD21 ASN 19 1HD2 ASN 19 2.614 -1.320 0.735 141 HD22 ASN 19 2HD2 ASN 19 1.802 0.186 0.898 142 H PHE 20 H PHE 20 0.988 -1.320 -3.695 143 HA PHE 20 HA PHE 20 2.828 0.570 -5.005 144 HB2 PHE 20 2HB PHE 20 1.479 -0.958 -6.446 145 HB3 PHE 20 1HB PHE 20 -0.000 -0.251 -5.808 146 HD1 PHE 20 2HD PHE 20 3.223 1.104 -7.210 147 HD2 PHE 20 1HD PHE 20 -1.055 1.168 -7.370 148 HE1 PHE 20 2HE PHE 20 3.307 2.861 -8.935 149 HE2 PHE 20 1HE PHE 20 -0.960 2.935 -9.088 150 HZ PHE 20 HZ PHE 20 1.220 3.781 -9.868 151 H LYS 21 H LYS 21 2.173 1.229 -2.387 152 HA LYS 21 HA LYS 21 1.273 2.628 -0.883 153 HB2 LYS 21 2HB LYS 21 1.823 4.933 -1.309 154 HB3 LYS 21 1HB LYS 21 3.015 3.916 -2.058 155 HG2 LYS 21 2HG LYS 21 2.155 4.326 -4.261 156 HG3 LYS 21 1HG LYS 21 0.753 5.152 -3.602 157 HD2 LYS 21 2HD LYS 21 2.454 6.712 -4.538 158 HD3 LYS 21 1HD LYS 21 2.124 7.004 -2.829 159 HE2 LYS 21 2HE LYS 21 4.541 7.142 -3.373 160 HE3 LYS 21 1HE LYS 21 4.200 5.872 -2.200 161 HZ1 LYS 21 3HZ LYS 21 4.742 5.509 -5.101 162 HZ2 LYS 21 1HZ LYS 21 4.307 4.260 -4.051 163 HZ3 LYS 21 2HZ LYS 21 5.761 5.087 -3.819 164 H ARG 22 H ARG 22 -0.889 1.630 -2.869 165 HA ARG 22 HA ARG 22 -2.923 3.740 -2.397 166 HB2 ARG 22 2HB ARG 22 -2.815 1.701 -4.675 167 HB3 ARG 22 1HB ARG 22 -4.120 2.846 -4.406 168 HG2 ARG 22 2HG ARG 22 -1.266 3.503 -5.195 169 HG3 ARG 22 1HG ARG 22 -2.704 3.628 -6.207 170 HD2 ARG 22 2HD ARG 22 -2.103 5.280 -3.737 171 HD3 ARG 22 1HD ARG 22 -2.002 5.828 -5.412 172 HE ARG 22 HE ARG 22 -4.595 4.822 -4.713 173 HH11 ARG 22 1HH1 ARG 22 -2.581 7.722 -4.607 174 HH12 ARG 22 2HH1 ARG 22 -3.938 8.792 -4.520 175 HH21 ARG 22 1HH2 ARG 22 -6.353 6.242 -4.595 176 HH22 ARG 22 2HH2 ARG 22 -6.075 7.950 -4.510 177 H ARG 23 H ARG 23 -2.017 0.429 -1.951 178 HA ARG 23 HA ARG 23 -4.585 -0.776 -1.833 179 HB2 ARG 23 2HB ARG 23 -1.903 -1.749 -0.745 180 HB3 ARG 23 1HB ARG 23 -3.353 -2.736 -0.856 181 HG2 ARG 23 2HG ARG 23 -1.833 -1.539 -3.196 182 HG3 ARG 23 1HG ARG 23 -1.811 -3.229 -2.692 183 HD2 ARG 23 2HD ARG 23 -4.255 -3.375 -3.194 184 HD3 ARG 23 1HD ARG 23 -4.212 -1.701 -3.760 185 HE ARG 23 HE ARG 23 -2.299 -3.352 -5.113 186 HH11 ARG 23 1HH1 ARG 23 -5.721 -2.490 -5.107 187 HH12 ARG 23 2HH1 ARG 23 -5.945 -2.904 -6.773 188 HH21 ARG 23 1HH2 ARG 23 -2.653 -3.926 -7.301 189 HH22 ARG 23 2HH2 ARG 23 -4.224 -3.708 -8.001 190 H GLU 24 H GLU 24 -5.917 -1.184 -0.178 191 HA GLU 24 HA GLU 24 -5.726 0.200 2.342 192 HB2 GLU 24 2HB GLU 24 -7.882 -0.082 1.178 193 HB3 GLU 24 1HB GLU 24 -7.734 -1.832 1.263 194 HG2 GLU 24 2HG GLU 24 -7.946 -1.736 3.725 195 HG3 GLU 24 1HG GLU 24 -8.046 0.022 3.647 196 H LYS 25 H LYS 25 -5.325 -3.076 1.150 197 HA LYS 25 HA LYS 25 -3.906 -3.874 3.605 198 HB2 LYS 25 2HB LYS 25 -6.010 -5.584 2.199 199 HB3 LYS 25 1HB LYS 25 -4.915 -6.164 3.455 200 HG2 LYS 25 2HG LYS 25 -5.940 -4.587 5.065 201 HG3 LYS 25 1HG LYS 25 -7.064 -4.049 3.812 202 HD2 LYS 25 2HD LYS 25 -6.859 -6.852 4.988 203 HD3 LYS 25 1HD LYS 25 -8.155 -5.687 5.274 204 HE2 LYS 25 2HE LYS 25 -8.746 -5.797 2.855 205 HE3 LYS 25 1HE LYS 25 -7.485 -7.010 2.623 206 HZ1 LYS 25 3HZ LYS 25 -9.951 -7.277 4.248 207 HZ2 LYS 25 1HZ LYS 25 -8.687 -8.394 4.289 208 HZ3 LYS 25 2HZ LYS 25 -9.537 -8.135 2.857 209 H CYS 26 H CYS 26 -2.549 -5.840 3.204 210 HA CYS 26 HA CYS 26 -0.858 -5.550 1.019 211 HB2 CYS 26 2HB CYS 26 -1.240 -7.791 3.002 212 HB3 CYS 26 1HB CYS 26 -0.149 -8.018 1.643 213 H PHE 27 H PHE 27 -0.623 -6.534 -0.921 214 HA PHE 27 HA PHE 27 -3.031 -7.367 -2.251 215 HB2 PHE 27 2HB PHE 27 -1.650 -7.213 -4.309 216 HB3 PHE 27 1HB PHE 27 -1.532 -5.769 -3.321 217 HD1 PHE 27 2HD PHE 27 0.588 -5.177 -2.184 218 HD2 PHE 27 1HD PHE 27 0.314 -8.687 -4.627 219 HE1 PHE 27 2HE PHE 27 3.043 -5.339 -2.246 220 HE2 PHE 27 1HE PHE 27 2.768 -8.833 -4.682 221 HZ PHE 27 HZ PHE 27 4.133 -7.164 -3.489 222 H LYS 28 H LYS 28 -1.256 -9.247 -0.359 223 HA LYS 28 HA LYS 28 -1.764 -11.701 -1.800 224 HB2 LYS 28 2HB LYS 28 0.683 -12.475 -1.503 225 HB3 LYS 28 1HB LYS 28 0.328 -11.364 -2.810 226 HG2 LYS 28 2HG LYS 28 2.310 -10.515 -1.970 227 HG3 LYS 28 1HG LYS 28 1.115 -9.497 -1.190 228 HD2 LYS 28 2HD LYS 28 2.719 -9.998 0.470 229 HD3 LYS 28 1HD LYS 28 1.350 -11.039 0.837 230 HE2 LYS 28 2HE LYS 28 3.803 -11.964 -0.698 231 HE3 LYS 28 1HE LYS 28 3.615 -12.134 1.044 232 HZ1 LYS 28 3HZ LYS 28 2.022 -13.449 -1.081 233 HZ2 LYS 28 1HZ LYS 28 1.547 -13.431 0.541 234 HZ3 LYS 28 2HZ LYS 28 2.994 -14.170 0.094 235 H CYS 29 H CYS 29 -0.570 -10.084 1.123 236 HA CYS 29 HA CYS 29 -0.966 -12.519 2.728 237 HB2 CYS 29 2HB CYS 29 1.189 -11.266 2.750 238 HB3 CYS 29 1HB CYS 29 0.340 -9.875 3.420 239 H GLY 30 H GLY 30 -2.239 -9.269 2.303 240 HA2 GLY 30 2HA GLY 30 -4.101 -8.219 3.066 241 HA3 GLY 30 1HA GLY 30 -4.684 -9.783 3.599 242 H VAL 31 H VAL 31 -2.114 -7.450 4.627 243 HA VAL 31 HA VAL 31 -3.370 -7.397 7.312 244 HB VAL 31 HB VAL 31 -0.901 -7.887 7.299 245 HG11 VAL 31 1HG1 VAL 31 0.734 -6.110 6.825 246 HG12 VAL 31 2HG1 VAL 31 -0.566 -5.062 6.247 247 HG13 VAL 31 3HG1 VAL 31 -0.182 -6.549 5.382 248 HG21 VAL 31 3HG2 VAL 31 -1.667 -5.268 8.631 249 HG22 VAL 31 1HG2 VAL 31 -0.291 -6.289 9.079 250 HG23 VAL 31 2HG2 VAL 31 -1.940 -6.888 9.277 251 HA PRO 32 HA PRO 32 -5.103 -3.333 6.243 252 HB2 PRO 32 2HB PRO 32 -4.683 -2.794 9.186 253 HB3 PRO 32 1HB PRO 32 -6.137 -2.551 8.196 254 HG2 PRO 32 2HG PRO 32 -5.999 -4.611 9.872 255 HG3 PRO 32 1HG PRO 32 -6.738 -4.799 8.270 256 HD2 PRO 32 2HD PRO 32 -4.045 -5.719 9.206 257 HD3 PRO 32 1HD PRO 32 -5.182 -6.502 8.085 258 H LYS 33 H LYS 33 -4.186 -1.474 5.602 259 HA LYS 33 HA LYS 33 -1.509 -0.727 5.745 260 HB2 LYS 33 2HB LYS 33 -3.008 0.204 4.063 261 HB3 LYS 33 1HB LYS 33 -4.066 0.875 5.297 262 HG2 LYS 33 2HG LYS 33 -1.766 2.206 5.916 263 HG3 LYS 33 1HG LYS 33 -1.494 1.931 4.198 264 HD2 LYS 33 2HD LYS 33 -2.544 4.101 4.550 265 HD3 LYS 33 1HD LYS 33 -3.659 3.034 3.688 266 HE2 LYS 33 2HE LYS 33 -4.840 4.289 5.438 267 HE3 LYS 33 1HE LYS 33 -4.845 2.578 5.833 268 HZ1 LYS 33 3HZ LYS 33 -4.354 3.955 7.751 269 HZ2 LYS 33 1HZ LYS 33 -3.002 4.609 6.973 270 HZ3 LYS 33 2HZ LYS 33 -3.031 2.971 7.377 271 H SER 34 H SER 34 -4.331 0.264 7.650 272 HA SER 34 HA SER 34 -3.088 2.125 9.349 273 HB2 SER 34 2HB SER 34 -5.614 0.482 9.775 274 HB3 SER 34 1HB SER 34 -5.193 1.974 10.630 275 HG SER 34 HG SER 34 -6.566 2.430 8.902 276 H GLU 35 H GLU 35 -3.090 -1.351 9.408 277 HA GLU 35 HA GLU 35 -2.203 -1.531 12.203 278 HB2 GLU 35 2HB GLU 35 -3.884 -3.158 11.346 279 HB3 GLU 35 1HB GLU 35 -2.721 -3.741 10.162 280 HG2 GLU 35 2HG GLU 35 -1.303 -4.647 11.925 281 HG3 GLU 35 1HG GLU 35 -2.313 -3.914 13.170 282 H ALA 36 H ALA 36 -0.858 -1.298 9.025 283 HA ALA 36 HA ALA 36 1.698 -2.567 9.716 284 HB1 ALA 36 1HB ALA 36 0.823 -1.190 7.150 285 HB2 ALA 36 2HB ALA 36 0.756 -2.925 7.474 286 HB3 ALA 36 3HB ALA 36 2.317 -2.108 7.384 287 H GLU 37 H GLU 37 0.581 0.670 8.680 288 HA GLU 37 HA GLU 37 2.944 1.932 9.932 289 HB2 GLU 37 2HB GLU 37 2.060 4.035 8.667 290 HB3 GLU 37 1HB GLU 37 2.850 2.766 7.754 291 HG2 GLU 37 2HG GLU 37 1.093 3.266 6.371 292 HG3 GLU 37 1HG GLU 37 0.429 1.920 7.277 293 H GLN 38 H GLN 38 2.528 3.984 11.119 294 HA GLN 38 HA GLN 38 0.086 3.798 12.779 295 HB2 GLN 38 2HB GLN 38 2.893 4.616 13.663 296 HB3 GLN 38 1HB GLN 38 1.453 4.695 14.674 297 HG2 GLN 38 2HG GLN 38 1.219 2.229 14.494 298 HG3 GLN 38 1HG GLN 38 2.696 2.175 13.534 299 HE21 GLN 38 1HE2 GLN 38 1.370 2.608 16.729 300 HE22 GLN 38 2HE2 GLN 38 2.870 2.529 17.581 301 H LYS 39 H LYS 39 -1.072 5.342 11.613 302 HA LYS 39 HA LYS 39 -0.156 8.084 11.438 303 HB2 LYS 39 2HB LYS 39 -2.931 6.862 11.080 304 HB3 LYS 39 1HB LYS 39 -2.564 8.566 10.834 305 HG2 LYS 39 2HG LYS 39 -1.382 6.263 9.248 306 HG3 LYS 39 1HG LYS 39 -2.676 7.339 8.708 307 HD2 LYS 39 2HD LYS 39 -1.096 9.275 8.888 308 HD3 LYS 39 1HD LYS 39 0.195 8.151 9.328 309 HE2 LYS 39 2HE LYS 39 0.271 8.787 6.929 310 HE3 LYS 39 1HE LYS 39 0.016 7.054 7.141 311 HZ1 LYS 39 3HZ LYS 39 -1.437 7.956 5.439 312 HZ2 LYS 39 1HZ LYS 39 -2.097 9.062 6.532 313 HZ3 LYS 39 2HZ LYS 39 -2.351 7.406 6.746 314 H LEU 40 H LEU 40 0.299 8.954 13.406 315 HA LEU 40 HA LEU 40 -1.260 8.727 15.753 316 HB2 LEU 40 2HB LEU 40 0.046 10.837 16.426 317 HB3 LEU 40 1HB LEU 40 0.972 9.404 16.062 318 HG LEU 40 HG LEU 40 1.392 10.439 13.732 319 HD11 LEU 40 1HD1 LEU 40 0.478 12.982 15.095 320 HD12 LEU 40 2HD1 LEU 40 -0.306 12.186 13.729 321 HD13 LEU 40 3HD1 LEU 40 1.303 12.875 13.534 322 HD21 LEU 40 3HD2 LEU 40 3.285 11.768 14.521 323 HD22 LEU 40 1HD2 LEU 40 3.126 10.269 15.434 324 HD23 LEU 40 2HD2 LEU 40 2.602 11.796 16.151 325 HA PRO 41 HA PRO 41 -4.821 11.251 14.837 326 HB2 PRO 41 2HB PRO 41 -5.279 12.549 17.279 327 HB3 PRO 41 1HB PRO 41 -5.696 10.855 16.950 328 HG2 PRO 41 2HG PRO 41 -3.277 11.954 18.346 329 HG3 PRO 41 1HG PRO 41 -4.298 10.566 18.793 330 HD2 PRO 41 2HD PRO 41 -1.935 10.194 17.571 331 HD3 PRO 41 1HD PRO 41 -3.325 9.158 17.188 332 H LEU 42 H LEU 42 -4.199 12.761 13.313 333 HA LEU 42 HA LEU 42 -2.836 15.216 13.948 334 HB2 LEU 42 2HB LEU 42 -4.515 14.475 11.500 335 HB3 LEU 42 1HB LEU 42 -3.661 15.992 11.675 336 HG LEU 42 HG LEU 42 -2.328 14.687 10.222 337 HD11 LEU 42 1HD1 LEU 42 -1.003 15.848 11.897 338 HD12 LEU 42 2HD1 LEU 42 -0.217 14.364 11.369 339 HD13 LEU 42 3HD1 LEU 42 -1.027 14.420 12.936 340 HD21 LEU 42 3HD2 LEU 42 -2.503 12.353 12.133 341 HD22 LEU 42 1HD2 LEU 42 -1.588 12.391 10.623 342 HD23 LEU 42 2HD2 LEU 42 -3.346 12.506 10.593 343 H GLY 43 H GLY 43 -3.753 16.873 15.058 344 HA2 GLY 43 2HA GLY 43 -5.264 18.432 15.800 345 HA3 GLY 43 1HA GLY 43 -6.351 17.926 14.519 Start of MODEL 20 1 H1 GLY 1 H GLY 1 19.531 1.946 0.829 2 HA2 GLY 1 1HA GLY 1 21.250 -0.271 0.298 3 HA3 GLY 1 2HA GLY 1 21.469 0.205 1.980 4 H HIS 2 H HIS 2 18.986 -0.646 -0.420 5 HA HIS 2 HA HIS 2 16.812 -1.245 -0.314 6 HB2 HIS 2 2HB HIS 2 16.426 -3.513 0.637 7 HB3 HIS 2 1HB HIS 2 17.882 -3.420 -0.342 8 HD1 HIS 2 1HD HIS 2 16.727 -3.924 3.215 9 HD2 HIS 2 2HD HIS 2 20.291 -3.997 1.076 10 HE1 HIS 2 1HE HIS 2 18.415 -4.979 4.747 11 HE2 HIS 2 2HE HIS 2 20.575 -4.931 3.448 12 H MET 3 H MET 3 16.114 0.709 0.729 13 HA MET 3 HA MET 3 14.752 0.252 3.295 14 HB2 MET 3 2HB MET 3 16.926 1.242 3.928 15 HB3 MET 3 1HB MET 3 16.706 2.555 2.778 16 HG2 MET 3 2HG MET 3 14.787 3.385 4.107 17 HG3 MET 3 1HG MET 3 15.016 2.063 5.254 18 HE1 MET 3 3HE MET 3 18.419 3.020 6.951 19 HE2 MET 3 1HE MET 3 18.172 1.872 5.634 20 HE3 MET 3 2HE MET 3 17.035 1.930 6.982 21 HA PRO 4 HA PRO 4 11.438 2.618 1.165 22 HB2 PRO 4 2HB PRO 4 10.880 3.488 4.010 23 HB3 PRO 4 1HB PRO 4 9.751 2.904 2.764 24 HG2 PRO 4 2HG PRO 4 10.472 1.268 4.705 25 HG3 PRO 4 1HG PRO 4 10.383 0.661 3.034 26 HD2 PRO 4 2HD PRO 4 12.828 1.387 4.643 27 HD3 PRO 4 1HD PRO 4 12.583 0.045 3.504 28 H LYS 5 H LYS 5 12.878 4.063 0.131 29 HA LYS 5 HA LYS 5 13.394 6.651 1.476 30 HB2 LYS 5 2HB LYS 5 15.463 5.518 0.758 31 HB3 LYS 5 1HB LYS 5 14.828 5.348 -0.877 32 HG2 LYS 5 2HG LYS 5 14.789 7.838 -1.085 33 HG3 LYS 5 1HG LYS 5 15.524 7.954 0.518 34 HD2 LYS 5 2HD LYS 5 17.535 6.785 -0.292 35 HD3 LYS 5 1HD LYS 5 16.789 6.550 -1.875 36 HE2 LYS 5 2HE LYS 5 16.732 9.018 -2.177 37 HE3 LYS 5 1HE LYS 5 17.543 9.213 -0.624 38 HZ1 LYS 5 3HZ LYS 5 18.655 7.811 -2.995 39 HZ2 LYS 5 1HZ LYS 5 19.432 8.003 -1.508 40 HZ3 LYS 5 2HZ LYS 5 19.096 9.353 -2.466 41 H ILE 6 H ILE 6 13.103 5.643 -1.975 42 HA ILE 6 HA ILE 6 11.668 8.078 -2.582 43 HB ILE 6 HB ILE 6 13.359 7.180 -4.178 44 HG12 ILE 6 2HG1 ILE 6 10.561 7.356 -5.392 45 HG13 ILE 6 1HG1 ILE 6 11.551 8.734 -4.935 46 HG21 ILE 6 1HG2 ILE 6 12.873 5.256 -5.632 47 HG22 ILE 6 2HG2 ILE 6 11.380 4.946 -4.744 48 HG23 ILE 6 3HG2 ILE 6 12.938 4.767 -3.937 49 HD11 ILE 6 3HD1 ILE 6 11.595 8.362 -7.323 50 HD12 ILE 6 1HD1 ILE 6 12.225 6.731 -7.086 51 HD13 ILE 6 2HD1 ILE 6 13.196 8.132 -6.622 52 H ASN 7 H ASN 7 10.883 4.660 -2.169 53 HA ASN 7 HA ASN 7 8.171 4.819 -3.082 54 HB2 ASN 7 2HB ASN 7 7.901 2.572 -2.133 55 HB3 ASN 7 1HB ASN 7 9.425 2.665 -3.006 56 HD21 ASN 7 1HD2 ASN 7 7.935 2.408 0.155 57 HD22 ASN 7 2HD2 ASN 7 9.357 1.908 0.990 58 H GLU 8 H GLU 8 6.332 5.288 -1.937 59 HA GLU 8 HA GLU 8 6.687 6.464 0.759 60 HB2 GLU 8 2HB GLU 8 6.267 8.105 -1.058 61 HB3 GLU 8 1HB GLU 8 4.776 7.280 -1.477 62 HG2 GLU 8 2HG GLU 8 4.321 9.337 -0.237 63 HG3 GLU 8 1HG GLU 8 3.789 7.931 0.673 64 H ASP 9 H ASP 9 5.535 3.716 -0.554 65 HA ASP 9 HA ASP 9 2.976 3.418 0.635 66 HB2 ASP 9 2HB ASP 9 3.242 1.063 0.125 67 HB3 ASP 9 1HB ASP 9 3.829 2.000 -1.232 68 H TRP 10 H TRP 10 2.869 1.292 2.120 69 HA TRP 10 HA TRP 10 4.452 1.826 4.577 70 HB2 TRP 10 2HB TRP 10 2.486 0.576 5.711 71 HB3 TRP 10 1HB TRP 10 2.136 2.184 5.089 72 HD1 TRP 10 HD TRP 10 0.458 2.345 2.948 73 HE1 TRP 10 1HE TRP 10 -1.270 0.688 2.003 74 HE3 TRP 10 3HE TRP 10 2.059 -1.917 5.257 75 HZ2 TRP 10 2HZ TRP 10 -1.867 -2.057 2.202 76 HZ3 TRP 10 3HZ TRP 10 0.879 -4.015 4.812 77 HH2 TRP 10 HH TRP 10 -1.043 -4.094 3.305 78 H LEU 11 H LEU 11 5.758 0.194 5.280 79 HA LEU 11 HA LEU 11 6.007 -2.210 3.669 80 HB2 LEU 11 2HB LEU 11 7.937 -0.735 4.735 81 HB3 LEU 11 1HB LEU 11 7.628 -1.667 6.182 82 HG LEU 11 HG LEU 11 9.575 -2.508 4.840 83 HD11 LEU 11 1HD1 LEU 11 8.460 -4.072 6.339 84 HD12 LEU 11 2HD1 LEU 11 9.078 -4.890 4.906 85 HD13 LEU 11 3HD1 LEU 11 7.350 -4.548 5.049 86 HD21 LEU 11 3HD2 LEU 11 7.525 -3.250 2.720 87 HD22 LEU 11 1HD2 LEU 11 9.240 -3.674 2.710 88 HD23 LEU 11 2HD2 LEU 11 8.752 -1.986 2.583 89 H CYS 12 H CYS 12 4.935 -4.066 4.140 90 HA CYS 12 HA CYS 12 3.058 -4.353 6.208 91 HB2 CYS 12 2HB CYS 12 2.826 -5.691 4.193 92 HB3 CYS 12 1HB CYS 12 4.381 -6.464 4.455 93 H ASN 13 H ASN 13 2.987 -5.832 8.004 94 HA ASN 13 HA ASN 13 5.608 -6.378 9.260 95 HB2 ASN 13 2HB ASN 13 4.479 -6.434 11.405 96 HB3 ASN 13 1HB ASN 13 4.026 -4.957 10.575 97 HD21 ASN 13 1HD2 ASN 13 1.887 -4.675 9.930 98 HD22 ASN 13 2HD2 ASN 13 0.612 -5.709 10.466 99 H LYS 14 H LYS 14 2.704 -7.871 8.011 100 HA LYS 14 HA LYS 14 3.203 -10.477 9.173 101 HB2 LYS 14 2HB LYS 14 1.247 -9.645 6.986 102 HB3 LYS 14 1HB LYS 14 1.303 -11.237 7.741 103 HG2 LYS 14 2HG LYS 14 0.830 -10.044 9.967 104 HG3 LYS 14 1HG LYS 14 0.485 -8.599 9.007 105 HD2 LYS 14 2HD LYS 14 -1.231 -10.012 7.731 106 HD3 LYS 14 1HD LYS 14 -0.980 -11.271 8.941 107 HE2 LYS 14 2HE LYS 14 -2.087 -8.479 9.411 108 HE3 LYS 14 1HE LYS 14 -2.980 -9.997 9.484 109 HZ1 LYS 14 3HZ LYS 14 -1.540 -10.628 11.383 110 HZ2 LYS 14 1HZ LYS 14 -2.497 -9.263 11.682 111 HZ3 LYS 14 2HZ LYS 14 -0.854 -9.081 11.339 112 H CYS 15 H CYS 15 2.948 -9.509 5.626 113 HA CYS 15 HA CYS 15 4.692 -11.732 4.907 114 HB2 CYS 15 2HB CYS 15 4.263 -10.967 2.588 115 HB3 CYS 15 1HB CYS 15 2.780 -11.235 3.495 116 H GLY 16 H GLY 16 4.836 -8.233 5.134 117 HA2 GLY 16 2HA GLY 16 6.664 -6.863 5.454 118 HA3 GLY 16 1HA GLY 16 7.747 -8.217 5.158 119 H VAL 17 H VAL 17 5.145 -7.227 2.941 120 HA VAL 17 HA VAL 17 7.138 -6.892 0.811 121 HB VAL 17 HB VAL 17 5.286 -6.904 -0.794 122 HG11 VAL 17 1HG1 VAL 17 6.193 -9.057 -0.042 123 HG12 VAL 17 2HG1 VAL 17 4.477 -9.197 -0.431 124 HG13 VAL 17 3HG1 VAL 17 4.995 -9.124 1.256 125 HG21 VAL 17 3HG2 VAL 17 2.925 -7.224 -0.086 126 HG22 VAL 17 1HG2 VAL 17 3.576 -5.683 0.482 127 HG23 VAL 17 2HG2 VAL 17 3.412 -7.035 1.602 128 H GLN 18 H GLN 18 7.208 -5.149 -0.583 129 HA GLN 18 HA GLN 18 6.353 -2.509 0.353 130 HB2 GLN 18 2HB GLN 18 8.691 -2.871 -0.431 131 HB3 GLN 18 1HB GLN 18 8.113 -3.407 -1.996 132 HG2 GLN 18 2HG GLN 18 7.481 -0.626 -1.001 133 HG3 GLN 18 1HG GLN 18 9.052 -0.978 -1.718 134 HE21 GLN 18 1HE2 GLN 18 6.987 0.839 -2.669 135 HE22 GLN 18 2HE2 GLN 18 6.560 0.324 -4.260 136 H ASN 19 H ASN 19 4.459 -1.647 -0.425 137 HA ASN 19 HA ASN 19 3.152 -2.908 -2.784 138 HB2 ASN 19 2HB ASN 19 0.994 -2.340 -1.738 139 HB3 ASN 19 1HB ASN 19 1.964 -3.345 -0.676 140 HD21 ASN 19 1HD2 ASN 19 2.803 -2.458 1.187 141 HD22 ASN 19 2HD2 ASN 19 2.236 -0.971 1.850 142 H PHE 20 H PHE 20 1.096 -0.977 -3.121 143 HA PHE 20 HA PHE 20 2.668 1.065 -4.567 144 HB2 PHE 20 2HB PHE 20 1.185 -0.595 -5.779 145 HB3 PHE 20 1HB PHE 20 -0.209 0.146 -4.991 146 HD1 PHE 20 1HD PHE 20 2.831 1.405 -6.834 147 HD2 PHE 20 2HD PHE 20 -1.432 1.548 -6.446 148 HE1 PHE 20 1HE PHE 20 2.717 3.072 -8.660 149 HE2 PHE 20 2HE PHE 20 -1.534 3.211 -8.270 150 HZ PHE 20 HZ PHE 20 0.536 3.969 -9.373 151 H LYS 21 H LYS 21 1.740 1.192 -1.707 152 HA LYS 21 HA LYS 21 0.889 2.482 -0.148 153 HB2 LYS 21 2HB LYS 21 2.187 4.256 -1.439 154 HB3 LYS 21 1HB LYS 21 0.648 4.755 -2.137 155 HG2 LYS 21 2HG LYS 21 -0.228 5.229 0.134 156 HG3 LYS 21 1HG LYS 21 1.314 4.698 0.813 157 HD2 LYS 21 2HD LYS 21 2.446 6.569 -0.415 158 HD3 LYS 21 1HD LYS 21 0.863 7.115 -0.983 159 HE2 LYS 21 2HE LYS 21 1.669 6.911 1.942 160 HE3 LYS 21 1HE LYS 21 1.707 8.398 0.993 161 HZ1 LYS 21 3HZ LYS 21 -0.676 8.238 0.691 162 HZ2 LYS 21 1HZ LYS 21 -0.287 8.221 2.336 163 HZ3 LYS 21 2HZ LYS 21 -0.725 6.786 1.561 164 H ARG 22 H ARG 22 -1.083 2.797 -3.121 165 HA ARG 22 HA ARG 22 -3.516 3.353 -1.707 166 HB2 ARG 22 2HB ARG 22 -3.092 2.518 -4.607 167 HB3 ARG 22 1HB ARG 22 -4.594 3.133 -3.931 168 HG2 ARG 22 2HG ARG 22 -1.988 4.664 -4.258 169 HG3 ARG 22 1HG ARG 22 -3.484 4.895 -5.172 170 HD2 ARG 22 2HD ARG 22 -4.635 5.665 -3.155 171 HD3 ARG 22 1HD ARG 22 -3.209 5.333 -2.173 172 HE ARG 22 HE ARG 22 -3.737 7.667 -3.708 173 HH11 ARG 22 1HH1 ARG 22 -1.057 5.650 -2.617 174 HH12 ARG 22 2HH1 ARG 22 0.090 6.945 -2.682 175 HH21 ARG 22 1HH2 ARG 22 -2.219 9.344 -3.695 176 HH22 ARG 22 2HH2 ARG 22 -0.565 9.028 -3.289 177 H ARG 23 H ARG 23 -2.986 1.499 -0.294 178 HA ARG 23 HA ARG 23 -4.319 -0.974 -1.094 179 HB2 ARG 23 2HB ARG 23 -1.515 -0.711 0.089 180 HB3 ARG 23 1HB ARG 23 -2.434 -2.208 0.153 181 HG2 ARG 23 2HG ARG 23 -1.805 -0.858 -2.485 182 HG3 ARG 23 1HG ARG 23 -0.661 -1.938 -1.693 183 HD2 ARG 23 2HD ARG 23 -1.896 -3.180 -3.356 184 HD3 ARG 23 1HD ARG 23 -2.347 -3.754 -1.760 185 HE ARG 23 HE ARG 23 -4.404 -2.400 -2.002 186 HH11 ARG 23 1HH1 ARG 23 -2.727 -3.380 -4.944 187 HH12 ARG 23 2HH1 ARG 23 -4.155 -3.279 -5.925 188 HH21 ARG 23 1HH2 ARG 23 -6.238 -2.249 -3.291 189 HH22 ARG 23 2HH2 ARG 23 -6.144 -2.636 -4.977 190 H GLU 24 H GLU 24 -6.008 -0.814 0.256 191 HA GLU 24 HA GLU 24 -6.022 -0.065 2.990 192 HB2 GLU 24 2HB GLU 24 -8.115 -0.258 1.803 193 HB3 GLU 24 1HB GLU 24 -7.803 -1.928 1.355 194 HG2 GLU 24 2HG GLU 24 -8.080 -2.618 3.708 195 HG3 GLU 24 1HG GLU 24 -8.332 -0.935 4.176 196 H LYS 25 H LYS 25 -5.387 -3.054 1.294 197 HA LYS 25 HA LYS 25 -3.940 -4.158 3.591 198 HB2 LYS 25 2HB LYS 25 -6.030 -5.637 1.905 199 HB3 LYS 25 1HB LYS 25 -4.872 -6.459 2.953 200 HG2 LYS 25 2HG LYS 25 -5.811 -5.322 4.921 201 HG3 LYS 25 1HG LYS 25 -6.951 -4.449 3.889 202 HD2 LYS 25 2HD LYS 25 -8.026 -6.584 3.254 203 HD3 LYS 25 1HD LYS 25 -6.861 -7.477 4.243 204 HE2 LYS 25 2HE LYS 25 -7.699 -6.369 6.260 205 HE3 LYS 25 1HE LYS 25 -8.829 -5.418 5.293 206 HZ1 LYS 25 3HZ LYS 25 -9.973 -7.249 6.260 207 HZ2 LYS 25 1HZ LYS 25 -8.848 -8.358 5.653 208 HZ3 LYS 25 2HZ LYS 25 -9.856 -7.512 4.598 209 H CYS 26 H CYS 26 -2.328 -5.727 2.934 210 HA CYS 26 HA CYS 26 -0.774 -5.116 0.704 211 HB2 CYS 26 2HB CYS 26 -0.875 -7.554 2.488 212 HB3 CYS 26 1HB CYS 26 0.159 -7.562 1.067 213 H PHE 27 H PHE 27 -0.386 -6.136 -1.283 214 HA PHE 27 HA PHE 27 -2.751 -6.818 -2.728 215 HB2 PHE 27 2HB PHE 27 -1.286 -6.894 -4.715 216 HB3 PHE 27 1HB PHE 27 -0.983 -5.464 -3.751 217 HD1 PHE 27 1HD PHE 27 1.140 -5.216 -2.469 218 HD2 PHE 27 2HD PHE 27 0.478 -8.576 -5.048 219 HE1 PHE 27 1HE PHE 27 3.552 -5.705 -2.472 220 HE2 PHE 27 2HE PHE 27 2.887 -9.056 -5.028 221 HZ PHE 27 HZ PHE 27 4.424 -7.625 -3.746 222 H LYS 28 H LYS 28 -0.858 -8.802 -0.828 223 HA LYS 28 HA LYS 28 -1.675 -11.235 -2.265 224 HB2 LYS 28 2HB LYS 28 0.646 -12.194 -1.861 225 HB3 LYS 28 1HB LYS 28 0.537 -10.946 -3.086 226 HG2 LYS 28 2HG LYS 28 2.473 -10.297 -2.014 227 HG3 LYS 28 1HG LYS 28 1.300 -9.333 -1.123 228 HD2 LYS 28 2HD LYS 28 2.947 -10.378 0.378 229 HD3 LYS 28 1HD LYS 28 1.339 -11.017 0.693 230 HE2 LYS 28 2HE LYS 28 1.923 -13.039 -0.677 231 HE3 LYS 28 1HE LYS 28 3.555 -12.396 -0.865 232 HZ1 LYS 28 3HZ LYS 28 3.400 -14.036 0.908 233 HZ2 LYS 28 1HZ LYS 28 2.277 -13.073 1.726 234 HZ3 LYS 28 2HZ LYS 28 3.861 -12.526 1.509 235 H CYS 29 H CYS 29 -0.351 -9.848 0.767 236 HA CYS 29 HA CYS 29 -0.846 -12.229 2.292 237 HB2 CYS 29 2HB CYS 29 1.052 -10.779 2.737 238 HB3 CYS 29 1HB CYS 29 -0.011 -9.425 3.050 239 H GLY 30 H GLY 30 -2.006 -8.898 3.016 240 HA2 GLY 30 2HA GLY 30 -4.463 -8.499 2.956 241 HA3 GLY 30 1HA GLY 30 -4.656 -10.042 3.770 242 H VAL 31 H VAL 31 -1.938 -8.275 4.874 243 HA VAL 31 HA VAL 31 -2.960 -7.669 7.441 244 HB VAL 31 HB VAL 31 -0.531 -7.888 7.040 245 HG11 VAL 31 1HG1 VAL 31 0.757 -6.105 5.904 246 HG12 VAL 31 2HG1 VAL 31 -0.747 -5.303 5.455 247 HG13 VAL 31 3HG1 VAL 31 -0.371 -6.901 4.806 248 HG21 VAL 31 3HG2 VAL 31 -1.257 -5.111 8.044 249 HG22 VAL 31 1HG2 VAL 31 0.275 -5.940 8.337 250 HG23 VAL 31 2HG2 VAL 31 -1.223 -6.591 9.006 251 HA PRO 32 HA PRO 32 -5.190 -3.855 6.317 252 HB2 PRO 32 2HB PRO 32 -5.528 -2.812 8.883 253 HB3 PRO 32 1HB PRO 32 -6.561 -4.083 8.200 254 HG2 PRO 32 2HG PRO 32 -4.223 -4.363 10.063 255 HG3 PRO 32 1HG PRO 32 -5.795 -5.192 10.104 256 HD2 PRO 32 2HD PRO 32 -3.578 -6.398 9.120 257 HD3 PRO 32 1HD PRO 32 -5.188 -6.717 8.426 258 H LYS 33 H LYS 33 -4.667 -1.724 6.063 259 HA LYS 33 HA LYS 33 -1.973 -0.906 6.109 260 HB2 LYS 33 2HB LYS 33 -3.717 -0.019 4.519 261 HB3 LYS 33 1HB LYS 33 -4.452 0.859 5.855 262 HG2 LYS 33 2HG LYS 33 -2.082 1.969 6.106 263 HG3 LYS 33 1HG LYS 33 -1.811 1.357 4.477 264 HD2 LYS 33 2HD LYS 33 -2.563 3.676 4.373 265 HD3 LYS 33 1HD LYS 33 -3.800 2.618 3.685 266 HE2 LYS 33 2HE LYS 33 -5.137 2.777 5.722 267 HE3 LYS 33 1HE LYS 33 -3.857 3.680 6.536 268 HZ1 LYS 33 3HZ LYS 33 -5.337 4.628 4.149 269 HZ2 LYS 33 1HZ LYS 33 -4.193 5.503 5.030 270 HZ3 LYS 33 2HZ LYS 33 -5.673 5.093 5.736 271 H SER 34 H SER 34 -4.646 -0.455 8.365 272 HA SER 34 HA SER 34 -3.593 1.545 10.055 273 HB2 SER 34 2HB SER 34 -5.972 0.878 10.068 274 HB3 SER 34 1HB SER 34 -5.546 -0.711 10.700 275 HG SER 34 HG SER 34 -4.586 1.393 12.197 276 H GLU 35 H GLU 35 -2.619 -1.707 9.649 277 HA GLU 35 HA GLU 35 -1.420 -1.985 12.330 278 HB2 GLU 35 2HB GLU 35 -2.929 -3.783 11.191 279 HB3 GLU 35 1HB GLU 35 -1.549 -4.127 10.155 280 HG2 GLU 35 2HG GLU 35 -0.214 -4.643 12.227 281 HG3 GLU 35 1HG GLU 35 -1.687 -4.410 13.172 282 H ALA 36 H ALA 36 -0.374 -0.454 9.716 283 HA ALA 36 HA ALA 36 2.443 -1.302 9.969 284 HB1 ALA 36 1HB ALA 36 2.751 -1.489 7.556 285 HB2 ALA 36 2HB ALA 36 1.036 -1.169 7.276 286 HB3 ALA 36 3HB ALA 36 1.540 -2.647 8.105 287 H GLU 37 H GLU 37 0.182 0.886 8.341 288 HA GLU 37 HA GLU 37 1.884 3.164 8.272 289 HB2 GLU 37 2HB GLU 37 -0.708 2.467 7.269 290 HB3 GLU 37 1HB GLU 37 -0.985 3.845 8.317 291 HG2 GLU 37 2HG GLU 37 0.988 3.776 6.017 292 HG3 GLU 37 1HG GLU 37 -0.650 4.423 5.914 293 H GLN 38 H GLN 38 1.271 5.204 9.474 294 HA GLN 38 HA GLN 38 1.513 4.844 12.273 295 HB2 GLN 38 2HB GLN 38 1.412 7.340 12.359 296 HB3 GLN 38 1HB GLN 38 2.585 6.745 11.195 297 HG2 GLN 38 2HG GLN 38 0.970 7.187 9.371 298 HG3 GLN 38 1HG GLN 38 -0.173 7.828 10.551 299 HE21 GLN 38 1HE2 GLN 38 -0.202 9.881 9.586 300 HE22 GLN 38 2HE2 GLN 38 1.135 10.969 9.685 301 H LYS 39 H LYS 39 0.085 5.586 13.927 302 HA LYS 39 HA LYS 39 -2.525 4.521 13.680 303 HB2 LYS 39 2HB LYS 39 -2.786 5.137 16.059 304 HB3 LYS 39 1HB LYS 39 -1.226 4.377 15.769 305 HG2 LYS 39 2HG LYS 39 -0.151 6.635 15.768 306 HG3 LYS 39 1HG LYS 39 -1.719 7.358 16.135 307 HD2 LYS 39 2HD LYS 39 -0.253 5.349 17.892 308 HD3 LYS 39 1HD LYS 39 -0.292 7.093 18.154 309 HE2 LYS 39 2HE LYS 39 -2.737 6.989 18.485 310 HE3 LYS 39 1HE LYS 39 -2.702 5.243 18.214 311 HZ1 LYS 39 3HZ LYS 39 -2.729 5.758 20.556 312 HZ2 LYS 39 1HZ LYS 39 -1.320 6.683 20.416 313 HZ3 LYS 39 2HZ LYS 39 -1.272 5.011 20.146 314 H LEU 40 H LEU 40 -4.543 5.492 13.785 315 HA LEU 40 HA LEU 40 -4.744 8.446 13.566 316 HB2 LEU 40 2HB LEU 40 -6.618 6.435 12.221 317 HB3 LEU 40 1HB LEU 40 -6.670 8.183 12.091 318 HG LEU 40 HG LEU 40 -4.244 7.865 11.009 319 HD11 LEU 40 1HD1 LEU 40 -4.008 5.828 9.692 320 HD12 LEU 40 2HD1 LEU 40 -5.488 5.171 10.399 321 HD13 LEU 40 3HD1 LEU 40 -4.073 5.456 11.415 322 HD21 LEU 40 3HD2 LEU 40 -5.251 7.804 8.778 323 HD22 LEU 40 1HD2 LEU 40 -6.137 8.882 9.857 324 HD23 LEU 40 2HD2 LEU 40 -6.790 7.287 9.472 325 HA PRO 41 HA PRO 41 -7.844 8.097 16.946 326 HB2 PRO 41 2HB PRO 41 -9.335 10.190 15.361 327 HB3 PRO 41 1HB PRO 41 -8.872 10.194 17.078 328 HG2 PRO 41 2HG PRO 41 -7.553 11.726 15.360 329 HG3 PRO 41 1HG PRO 41 -6.677 10.849 16.637 330 HD2 PRO 41 2HD PRO 41 -6.909 10.157 13.707 331 HD3 PRO 41 1HD PRO 41 -5.489 10.074 14.778 332 H LEU 42 H LEU 42 -9.385 6.572 17.074 333 HA LEU 42 HA LEU 42 -10.962 5.036 16.626 334 HB2 LEU 42 2HB LEU 42 -11.778 7.020 14.475 335 HB3 LEU 42 1HB LEU 42 -12.612 5.490 14.654 336 HG LEU 42 HG LEU 42 -13.258 6.157 17.000 337 HD11 LEU 42 1HD1 LEU 42 -11.518 7.772 17.523 338 HD12 LEU 42 2HD1 LEU 42 -13.115 8.493 17.720 339 HD13 LEU 42 3HD1 LEU 42 -12.143 8.876 16.295 340 HD21 LEU 42 3HD2 LEU 42 -14.220 8.049 14.837 341 HD22 LEU 42 1HD2 LEU 42 -15.033 7.730 16.373 342 HD23 LEU 42 2HD2 LEU 42 -14.861 6.442 15.184 343 H GLY 43 H GLY 43 -8.255 5.096 15.240 344 HA2 GLY 43 2HA GLY 43 -8.622 3.536 12.787 345 HA3 GLY 43 1HA GLY 43 -7.105 4.061 13.502
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