NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
544512 | 2lvr | 18586 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 17.148 3.314 -4.062 2 H2 MET 1 HT2 MET 1 15.853 3.595 -3.007 3 H3 MET 1 HT3 MET 1 15.671 2.517 -4.300 4 HA MET 1 HA MET 1 17.196 0.984 -3.359 5 HB2 MET 1 HB2 MET 1 17.566 3.128 -1.273 6 HB3 MET 1 HB1 MET 1 18.002 1.452 -0.979 7 HG2 MET 1 HG2 MET 1 19.553 1.538 -2.871 8 HG3 MET 1 HG1 MET 1 19.135 3.232 -3.121 9 HE1 MET 1 HE1 MET 1 22.113 2.085 -2.700 10 HE2 MET 1 HE2 MET 1 22.792 3.321 -1.642 11 HE3 MET 1 HE3 MET 1 21.769 3.789 -2.999 12 H LYS 2 HN LYS 2 15.441 2.832 -0.838 13 HA LYS 2 HA LYS 2 14.053 0.349 -0.166 14 HB2 LYS 2 HB2 LYS 2 13.424 1.446 1.921 15 HB3 LYS 2 HB1 LYS 2 15.161 1.542 1.670 16 HG2 LYS 2 HG2 LYS 2 14.924 3.853 0.916 17 HG3 LYS 2 HG1 LYS 2 13.181 3.754 1.167 18 HD2 LYS 2 HD2 LYS 2 13.608 3.261 3.560 19 HD3 LYS 2 HD1 LYS 2 15.330 3.514 3.268 20 HE2 LYS 2 HE2 LYS 2 14.414 5.532 4.178 21 HE3 LYS 2 HE1 LYS 2 14.799 5.809 2.480 22 HZ1 LYS 2 HZ1 LYS 2 12.095 5.223 3.566 23 HZ2 LYS 2 HZ2 LYS 2 12.460 5.497 1.932 24 HZ3 LYS 2 HZ3 LYS 2 12.652 6.742 3.064 25 HA PRO 3 HA PRO 3 10.339 2.152 -1.931 26 HB2 PRO 3 HB2 PRO 3 9.116 -0.130 -2.497 27 HB3 PRO 3 HB1 PRO 3 10.538 0.371 -3.432 28 HG2 PRO 3 HG2 PRO 3 10.317 -1.658 -1.253 29 HG3 PRO 3 HG1 PRO 3 11.279 -1.699 -2.738 30 HD2 PRO 3 HD2 PRO 3 12.200 -0.970 -0.189 31 HD3 PRO 3 HD1 PRO 3 13.040 -0.673 -1.725 32 H TYR 4 HN TYR 4 7.992 1.703 -1.436 33 HA TYR 4 HA TYR 4 7.606 0.785 1.329 34 HB2 TYR 4 HB2 TYR 4 6.119 2.883 -0.278 35 HB3 TYR 4 HB1 TYR 4 5.426 2.125 1.157 36 HD1 TYR 4 HD1 TYR 4 8.109 4.333 -0.052 37 HD2 TYR 4 HD2 TYR 4 6.213 2.642 3.356 38 HE1 TYR 4 HE1 TYR 4 9.308 5.916 1.392 39 HE2 TYR 4 HE2 TYR 4 7.404 4.227 4.810 40 HH TYR 4 HH TYR 4 9.532 5.569 4.715 41 H VAL 5 HN VAL 5 7.026 -1.279 1.196 42 HA VAL 5 HA VAL 5 5.619 -2.193 -1.177 43 HB VAL 5 HB VAL 5 6.161 -4.422 -0.488 44 HG11 VAL 5 HG11 VAL 5 8.528 -2.611 -0.067 45 HG12 VAL 5 HG12 VAL 5 7.888 -3.124 -1.625 46 HG13 VAL 5 HG13 VAL 5 8.589 -4.313 -0.527 47 HG21 VAL 5 HG21 VAL 5 7.400 -4.904 1.582 48 HG22 VAL 5 HG22 VAL 5 5.807 -4.220 1.916 49 HG23 VAL 5 HG23 VAL 5 7.249 -3.212 2.054 50 H CYS 6 HN CYS 6 3.668 -3.117 -1.218 51 HA CYS 6 HA CYS 6 1.775 -2.575 0.817 52 HB2 CYS 6 HB2 CYS 6 1.220 -2.845 -1.595 53 HB3 CYS 6 HB1 CYS 6 1.579 -4.560 -1.458 54 H ILE 7 HN ILE 7 1.450 -3.649 2.642 55 HA ILE 7 HA ILE 7 2.922 -5.934 3.346 56 HB ILE 7 HB ILE 7 0.448 -4.964 4.766 57 HG12 ILE 7 HG12 ILE 7 1.678 -2.960 4.403 58 HG13 ILE 7 HG11 ILE 7 2.068 -3.475 6.042 59 HG21 ILE 7 HG21 ILE 7 3.008 -6.213 5.731 60 HG22 ILE 7 HG22 ILE 7 1.447 -7.019 5.585 61 HG23 ILE 7 HG23 ILE 7 1.658 -5.713 6.751 62 HD11 ILE 7 HD11 ILE 7 3.773 -3.932 3.607 63 HD12 ILE 7 HD12 ILE 7 4.181 -4.388 5.266 64 HD13 ILE 7 HD13 ILE 7 4.034 -2.685 4.832 65 H HIS 8 HN HIS 8 -0.063 -5.547 1.709 66 HA HIS 8 HA HIS 8 -1.072 -8.122 2.636 67 HB2 HIS 8 HB2 HIS 8 -2.509 -6.011 2.445 68 HB3 HIS 8 HB1 HIS 8 -2.492 -6.302 0.703 69 HD1 HIS 8 HD1 HIS 8 -3.952 -8.223 -0.191 70 HD2 HIS 8 HD2 HIS 8 -3.978 -7.903 3.960 71 HE1 HIS 8 HE1 HIS 8 -5.810 -9.715 0.596 72 HE2 HIS 8 HE2 HIS 8 -5.705 -9.631 3.109 73 H CYS 9 HN CYS 9 0.189 -6.676 -0.352 74 HA CYS 9 HA CYS 9 -0.126 -9.319 -1.580 75 HB2 CYS 9 HB2 CYS 9 -0.836 -8.366 -3.620 76 HB3 CYS 9 HB1 CYS 9 -1.805 -7.624 -2.363 77 H GLN 10 HN GLN 10 2.000 -6.997 -0.642 78 HA GLN 10 HA GLN 10 4.225 -6.758 -0.829 79 HB2 GLN 10 HB2 GLN 10 4.003 -9.397 -2.266 80 HB3 GLN 10 HB1 GLN 10 5.537 -8.630 -1.848 81 HG2 GLN 10 HG2 GLN 10 4.917 -8.696 0.519 82 HG3 GLN 10 HG1 GLN 10 3.399 -9.485 0.095 83 HE21 GLN 10 HE21 GLN 10 6.845 -9.831 0.355 84 HE22 GLN 10 HE22 GLN 10 6.874 -11.570 0.236 85 H ARG 11 HN ARG 11 2.936 -5.170 -2.481 86 HA ARG 11 HA ARG 11 4.449 -5.224 -4.988 87 HB2 ARG 11 HB2 ARG 11 1.922 -3.823 -4.143 88 HB3 ARG 11 HB1 ARG 11 2.846 -3.281 -5.541 89 HG2 ARG 11 HG2 ARG 11 1.710 -6.045 -5.192 90 HG3 ARG 11 HG1 ARG 11 0.959 -4.748 -6.123 91 HD2 ARG 11 HD2 ARG 11 3.029 -4.645 -7.510 92 HD3 ARG 11 HD1 ARG 11 3.615 -6.069 -6.651 93 HE ARG 11 HE ARG 11 1.206 -6.872 -7.576 94 HH11 ARG 11 HH11 ARG 11 3.974 -5.400 -9.096 95 HH12 ARG 11 HH12 ARG 11 3.676 -6.109 -10.655 96 HH21 ARG 11 HH21 ARG 11 0.781 -7.813 -9.626 97 HH22 ARG 11 HH22 ARG 11 1.847 -7.473 -10.960 98 H GLN 12 HN GLN 12 6.079 -3.780 -5.264 99 HA GLN 12 HA GLN 12 6.766 -2.129 -2.991 100 HB2 GLN 12 HB2 GLN 12 8.250 -2.510 -5.589 101 HB3 GLN 12 HB1 GLN 12 8.892 -1.848 -4.099 102 HG2 GLN 12 HG2 GLN 12 8.625 -3.999 -3.003 103 HG3 GLN 12 HG1 GLN 12 7.933 -4.671 -4.474 104 HE21 GLN 12 HE21 GLN 12 9.497 -6.239 -4.620 105 HE22 GLN 12 HE22 GLN 12 11.133 -5.884 -5.107 106 H PHE 13 HN PHE 13 5.979 -0.154 -2.830 107 HA PHE 13 HA PHE 13 5.604 1.432 -5.281 108 HB2 PHE 13 HB2 PHE 13 4.197 1.443 -2.631 109 HB3 PHE 13 HB1 PHE 13 4.206 2.910 -3.620 110 HD1 PHE 13 HD2 PHE 13 3.300 -0.695 -3.664 111 HD2 PHE 13 HD1 PHE 13 2.742 3.142 -5.413 112 HE1 PHE 13 HE2 PHE 13 1.440 -1.580 -5.008 113 HE2 PHE 13 HE1 PHE 13 0.880 2.265 -6.756 114 HZ PHE 13 HZ PHE 13 0.227 -0.099 -6.557 115 H ALA 14 HN ALA 14 5.781 3.898 -4.750 116 HA ALA 14 HA ALA 14 8.508 4.256 -3.807 117 HB1 ALA 14 HB1 ALA 14 7.679 5.238 -5.966 118 HB2 ALA 14 HB2 ALA 14 8.452 6.381 -4.869 119 HB3 ALA 14 HB3 ALA 14 6.693 6.339 -4.997 120 H ASP 15 HN ASP 15 5.321 5.676 -3.200 121 HA ASP 15 HA ASP 15 6.480 7.142 -0.937 122 HB2 ASP 15 HB2 ASP 15 3.947 7.711 -2.496 123 HB3 ASP 15 HB1 ASP 15 4.612 8.693 -1.204 124 HA PRO 16 HA PRO 16 3.993 4.844 1.918 125 HB2 PRO 16 HB2 PRO 16 3.729 6.745 3.865 126 HB3 PRO 16 HB1 PRO 16 5.192 5.782 3.631 127 HG2 PRO 16 HG2 PRO 16 4.604 8.577 2.760 128 HG3 PRO 16 HG1 PRO 16 6.104 7.896 3.413 129 HD2 PRO 16 HD2 PRO 16 5.735 8.362 0.767 130 HD3 PRO 16 HD1 PRO 16 6.751 7.039 1.379 131 H GLY 17 HN GLY 17 3.092 8.077 0.876 132 HA2 GLY 17 HA2 GLY 17 0.389 8.024 1.682 133 HA3 GLY 17 HA1 GLY 17 1.051 8.991 0.369 134 H ALA 18 HN ALA 18 2.056 6.689 -1.094 135 HA ALA 18 HA ALA 18 -0.344 6.034 -2.500 136 HB1 ALA 18 HB1 ALA 18 1.088 4.670 -3.932 137 HB2 ALA 18 HB2 ALA 18 2.450 4.974 -2.851 138 HB3 ALA 18 HB3 ALA 18 1.712 6.311 -3.738 139 H LEU 19 HN LEU 19 1.632 4.457 -0.061 140 HA LEU 19 HA LEU 19 0.570 1.870 -0.464 141 HB2 LEU 19 HB2 LEU 19 2.079 3.217 1.722 142 HB3 LEU 19 HB1 LEU 19 1.203 1.740 2.108 143 HG LEU 19 HG LEU 19 3.501 2.091 0.201 144 HD11 LEU 19 HD11 LEU 19 4.050 1.771 2.541 145 HD12 LEU 19 HD12 LEU 19 4.479 0.338 1.606 146 HD13 LEU 19 HD13 LEU 19 3.025 0.339 2.603 147 HD21 LEU 19 HD21 LEU 19 3.199 -0.300 -0.358 148 HD22 LEU 19 HD22 LEU 19 1.882 0.712 -0.951 149 HD23 LEU 19 HD23 LEU 19 1.653 -0.278 0.490 150 H GLN 20 HN GLN 20 -0.407 4.715 1.326 151 HA GLN 20 HA GLN 20 -2.352 3.231 2.713 152 HB2 GLN 20 HB2 GLN 20 -2.938 5.168 3.884 153 HB3 GLN 20 HB1 GLN 20 -1.238 5.380 3.524 154 HG2 GLN 20 HG2 GLN 20 -2.032 7.449 3.033 155 HG3 GLN 20 HG1 GLN 20 -2.118 6.681 1.451 156 HE21 GLN 20 HE21 GLN 20 -4.364 5.928 4.017 157 HE22 GLN 20 HE22 GLN 20 -5.742 6.700 3.300 158 H ARG 21 HN ARG 21 -2.249 5.164 -0.075 159 HA ARG 21 HA ARG 21 -5.004 5.060 -0.758 160 HB2 ARG 21 HB2 ARG 21 -2.606 6.037 -1.932 161 HB3 ARG 21 HB1 ARG 21 -3.353 4.964 -3.105 162 HG2 ARG 21 HG2 ARG 21 -4.101 7.201 -3.505 163 HG3 ARG 21 HG1 ARG 21 -5.454 6.254 -2.879 164 HD2 ARG 21 HD2 ARG 21 -5.152 7.205 -0.680 165 HD3 ARG 21 HD1 ARG 21 -3.711 8.069 -1.220 166 HE ARG 21 HE ARG 21 -6.122 8.685 -2.692 167 HH11 ARG 21 HH11 ARG 21 -4.156 9.496 0.088 168 HH12 ARG 21 HH12 ARG 21 -4.668 11.157 0.133 169 HH21 ARG 21 HH21 ARG 21 -6.833 10.841 -2.618 170 HH22 ARG 21 HH22 ARG 21 -6.226 11.921 -1.396 171 H HIS 22 HN HIS 22 -2.274 2.934 -1.136 172 HA HIS 22 HA HIS 22 -3.464 1.132 -3.002 173 HB2 HIS 22 HB2 HIS 22 -1.011 1.444 -2.553 174 HB3 HIS 22 HB1 HIS 22 -1.233 0.566 -1.055 175 HD1 HIS 22 HD1 HIS 22 -1.769 -0.038 -4.793 176 HD2 HIS 22 HD2 HIS 22 -0.897 -2.025 -1.256 177 HE1 HIS 22 HE1 HIS 22 -1.301 -2.442 -5.428 178 H VAL 23 HN VAL 23 -2.927 1.029 0.496 179 HA VAL 23 HA VAL 23 -3.801 -1.604 0.749 180 HB VAL 23 HB VAL 23 -3.582 0.569 2.838 181 HG11 VAL 23 HG11 VAL 23 -5.220 -1.077 3.591 182 HG12 VAL 23 HG12 VAL 23 -3.728 -1.203 4.524 183 HG13 VAL 23 HG13 VAL 23 -4.076 -2.382 3.259 184 HG21 VAL 23 HG21 VAL 23 -1.553 -0.619 3.495 185 HG22 VAL 23 HG22 VAL 23 -1.478 -0.129 1.801 186 HG23 VAL 23 HG23 VAL 23 -1.825 -1.806 2.219 187 H ARG 24 HN ARG 24 -5.477 1.482 1.005 188 HA ARG 24 HA ARG 24 -7.944 0.393 1.900 189 HB2 ARG 24 HB2 ARG 24 -8.908 2.564 1.340 190 HB3 ARG 24 HB1 ARG 24 -7.401 2.755 2.222 191 HG2 ARG 24 HG2 ARG 24 -6.233 3.296 0.183 192 HG3 ARG 24 HG1 ARG 24 -7.699 3.007 -0.758 193 HD2 ARG 24 HD2 ARG 24 -7.347 5.115 1.369 194 HD3 ARG 24 HD1 ARG 24 -7.337 5.396 -0.372 195 HE ARG 24 HE ARG 24 -9.728 4.105 0.646 196 HH11 ARG 24 HH11 ARG 24 -8.166 7.153 -0.089 197 HH12 ARG 24 HH12 ARG 24 -9.650 8.027 -0.296 198 HH21 ARG 24 HH21 ARG 24 -11.677 5.235 0.416 199 HH22 ARG 24 HH22 ARG 24 -11.673 6.926 0.001 200 H ILE 25 HN ILE 25 -6.400 0.596 -1.182 201 HA ILE 25 HA ILE 25 -8.642 0.178 -2.840 202 HB ILE 25 HB ILE 25 -5.717 -0.456 -3.128 203 HG12 ILE 25 HG12 ILE 25 -6.273 1.847 -3.403 204 HG13 ILE 25 HG11 ILE 25 -5.908 1.191 -4.985 205 HG21 ILE 25 HG21 ILE 25 -6.150 -1.074 -5.467 206 HG22 ILE 25 HG22 ILE 25 -7.872 -1.118 -5.100 207 HG23 ILE 25 HG23 ILE 25 -6.768 -2.239 -4.298 208 HD11 ILE 25 HD11 ILE 25 -8.654 1.716 -3.876 209 HD12 ILE 25 HD12 ILE 25 -8.299 1.021 -5.457 210 HD13 ILE 25 HD13 ILE 25 -7.811 2.676 -5.092 211 H HIS 26 HN HIS 26 -6.641 -1.984 -0.892 212 HA HIS 26 HA HIS 26 -7.754 -4.398 -1.904 213 HB2 HIS 26 HB2 HIS 26 -6.215 -3.732 0.581 214 HB3 HIS 26 HB1 HIS 26 -6.970 -5.312 0.402 215 HD1 HIS 26 HD1 HIS 26 -6.304 -5.934 -2.544 216 HD2 HIS 26 HD2 HIS 26 -3.634 -4.261 0.171 217 HE1 HIS 26 HE1 HIS 26 -3.965 -6.454 -3.411 218 H THR 27 HN THR 27 -8.625 -2.243 0.775 219 HA THR 27 HA THR 27 -10.743 -3.894 1.704 220 HB THR 27 HB THR 27 -11.445 -1.188 2.186 221 HG1 THR 27 HG1 THR 27 -9.618 -0.174 2.369 222 HG21 THR 27 HG21 THR 27 -10.910 -1.782 4.516 223 HG22 THR 27 HG22 THR 27 -10.131 -3.256 3.944 224 HG23 THR 27 HG23 THR 27 -11.863 -3.027 3.706 225 H GLY 28 HN GLY 28 -10.517 -1.275 -0.644 226 HA2 GLY 28 HA2 GLY 28 -11.825 -0.886 -2.511 227 HA3 GLY 28 HA1 GLY 28 -12.794 -2.288 -2.083 228 H GLU 29 HN GLU 29 -13.895 -1.824 0.195 229 HA GLU 29 HA GLU 29 -15.917 0.061 -0.314 230 HB2 GLU 29 HB2 GLU 29 -15.274 -1.215 2.340 231 HB3 GLU 29 HB1 GLU 29 -16.838 -0.686 1.746 232 HG2 GLU 29 HG2 GLU 29 -16.618 -2.416 -0.063 233 HG3 GLU 29 HG1 GLU 29 -15.218 -3.027 0.814 234 H LYS 30 HN LYS 30 -12.962 0.156 1.507 235 HA LYS 30 HA LYS 30 -13.284 3.019 1.827 236 HB2 LYS 30 HB2 LYS 30 -12.383 2.844 4.198 237 HB3 LYS 30 HB1 LYS 30 -14.059 2.380 3.957 238 HG2 LYS 30 HG2 LYS 30 -13.418 0.026 3.988 239 HG3 LYS 30 HG1 LYS 30 -11.729 0.489 4.208 240 HD2 LYS 30 HD2 LYS 30 -12.294 1.572 6.325 241 HD3 LYS 30 HD1 LYS 30 -13.989 1.134 6.103 242 HE2 LYS 30 HE2 LYS 30 -13.378 -1.234 6.152 243 HE3 LYS 30 HE1 LYS 30 -11.687 -0.790 6.381 244 HZ1 LYS 30 HZ1 LYS 30 -13.904 -0.135 8.244 245 HZ2 LYS 30 HZ2 LYS 30 -12.271 0.264 8.467 246 HZ3 LYS 30 HZ3 LYS 30 -12.756 -1.360 8.475 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 16.761 2.211 -0.020 2 H2 MET 1 HT2 MET 1 17.753 2.707 1.264 3 H3 MET 1 HT3 MET 1 16.078 2.574 1.488 4 HA MET 1 HA MET 1 17.969 0.361 0.957 5 HB2 MET 1 HB2 MET 1 18.095 1.196 3.249 6 HB3 MET 1 HB1 MET 1 16.347 1.084 3.408 7 HG2 MET 1 HG2 MET 1 16.480 -1.342 3.147 8 HG3 MET 1 HG1 MET 1 18.234 -1.229 3.005 9 HE1 MET 1 HE1 MET 1 18.938 1.008 5.111 10 HE2 MET 1 HE2 MET 1 19.838 -0.505 4.997 11 HE3 MET 1 HE3 MET 1 19.248 0.057 6.562 12 H LYS 2 HN LYS 2 14.689 0.794 2.301 13 HA LYS 2 HA LYS 2 13.764 -1.276 0.413 14 HB2 LYS 2 HB2 LYS 2 12.638 -0.661 3.151 15 HB3 LYS 2 HB1 LYS 2 12.098 -1.932 2.066 16 HG2 LYS 2 HG2 LYS 2 14.313 -3.015 2.304 17 HG3 LYS 2 HG1 LYS 2 14.747 -1.774 3.484 18 HD2 LYS 2 HD2 LYS 2 12.757 -2.450 4.827 19 HD3 LYS 2 HD1 LYS 2 12.508 -3.784 3.700 20 HE2 LYS 2 HE2 LYS 2 14.754 -4.627 4.249 21 HE3 LYS 2 HE1 LYS 2 14.938 -3.322 5.421 22 HZ1 LYS 2 HZ1 LYS 2 12.869 -4.226 6.503 23 HZ2 LYS 2 HZ2 LYS 2 14.252 -5.197 6.626 24 HZ3 LYS 2 HZ3 LYS 2 13.038 -5.593 5.510 25 HA PRO 3 HA PRO 3 10.927 1.969 -0.900 26 HB2 PRO 3 HB2 PRO 3 9.504 0.414 -2.616 27 HB3 PRO 3 HB1 PRO 3 11.084 1.104 -3.041 28 HG2 PRO 3 HG2 PRO 3 10.415 -1.651 -2.071 29 HG3 PRO 3 HG1 PRO 3 11.496 -1.156 -3.382 30 HD2 PRO 3 HD2 PRO 3 12.424 -1.848 -0.941 31 HD3 PRO 3 HD1 PRO 3 13.213 -0.602 -1.933 32 H TYR 4 HN TYR 4 8.434 1.937 -1.054 33 HA TYR 4 HA TYR 4 7.556 0.700 1.425 34 HB2 TYR 4 HB2 TYR 4 6.234 2.857 -0.268 35 HB3 TYR 4 HB1 TYR 4 5.597 2.212 1.248 36 HD1 TYR 4 HD2 TYR 4 6.989 2.412 3.341 37 HD2 TYR 4 HD1 TYR 4 7.875 4.580 -0.209 38 HE1 TYR 4 HE2 TYR 4 8.399 3.944 4.642 39 HE2 TYR 4 HE1 TYR 4 9.303 6.116 1.080 40 HH TYR 4 HH TYR 4 10.355 5.452 4.212 41 H VAL 5 HN VAL 5 7.299 -1.376 0.872 42 HA VAL 5 HA VAL 5 5.733 -2.118 -1.432 43 HB VAL 5 HB VAL 5 6.220 -4.425 -0.796 44 HG11 VAL 5 HG11 VAL 5 7.871 -3.240 -2.121 45 HG12 VAL 5 HG12 VAL 5 8.667 -4.355 -1.011 46 HG13 VAL 5 HG13 VAL 5 8.637 -2.628 -0.655 47 HG21 VAL 5 HG21 VAL 5 6.113 -4.227 1.627 48 HG22 VAL 5 HG22 VAL 5 7.572 -3.235 1.626 49 HG23 VAL 5 HG23 VAL 5 7.658 -4.927 1.137 50 H CYS 6 HN CYS 6 3.793 -3.089 -1.433 51 HA CYS 6 HA CYS 6 1.892 -2.440 0.504 52 HB2 CYS 6 HB2 CYS 6 1.439 -3.005 -1.888 53 HB3 CYS 6 HB1 CYS 6 1.753 -4.689 -1.506 54 H ILE 7 HN ILE 7 1.211 -3.404 2.281 55 HA ILE 7 HA ILE 7 2.831 -5.371 3.502 56 HB ILE 7 HB ILE 7 0.218 -4.102 4.357 57 HG12 ILE 7 HG12 ILE 7 1.787 -2.943 6.012 58 HG13 ILE 7 HG11 ILE 7 3.109 -3.525 5.008 59 HG21 ILE 7 HG21 ILE 7 0.700 -4.944 6.596 60 HG22 ILE 7 HG22 ILE 7 2.101 -5.809 5.965 61 HG23 ILE 7 HG23 ILE 7 0.477 -6.252 5.436 62 HD11 ILE 7 HD11 ILE 7 2.454 -1.188 4.552 63 HD12 ILE 7 HD12 ILE 7 0.872 -1.770 4.023 64 HD13 ILE 7 HD13 ILE 7 2.325 -2.241 3.141 65 H HIS 8 HN HIS 8 -0.065 -5.435 1.622 66 HA HIS 8 HA HIS 8 -0.861 -8.037 2.682 67 HB2 HIS 8 HB2 HIS 8 -2.592 -6.301 2.297 68 HB3 HIS 8 HB1 HIS 8 -2.218 -6.335 0.571 69 HD1 HIS 8 HD1 HIS 8 -4.328 -7.917 3.104 70 HD2 HIS 8 HD2 HIS 8 -2.885 -8.902 -0.670 71 HE1 HIS 8 HE1 HIS 8 -5.771 -9.809 2.294 72 HE2 HIS 8 HE2 HIS 8 -4.727 -10.529 0.116 73 H CYS 9 HN CYS 9 0.005 -6.617 -0.491 74 HA CYS 9 HA CYS 9 0.059 -9.363 -1.526 75 HB2 CYS 9 HB2 CYS 9 -0.618 -8.502 -3.622 76 HB3 CYS 9 HB1 CYS 9 -1.618 -7.701 -2.426 77 H GLN 10 HN GLN 10 2.075 -7.037 -0.494 78 HA GLN 10 HA GLN 10 4.309 -6.744 -0.540 79 HB2 GLN 10 HB2 GLN 10 4.192 -9.486 -1.798 80 HB3 GLN 10 HB1 GLN 10 5.686 -8.703 -1.278 81 HG2 GLN 10 HG2 GLN 10 4.915 -8.650 1.002 82 HG3 GLN 10 HG1 GLN 10 3.347 -9.293 0.524 83 HE21 GLN 10 HE21 GLN 10 6.369 -10.416 -0.831 84 HE22 GLN 10 HE22 GLN 10 6.329 -11.987 -0.085 85 H ARG 11 HN ARG 11 2.994 -5.451 -2.612 86 HA ARG 11 HA ARG 11 4.867 -5.683 -4.845 87 HB2 ARG 11 HB2 ARG 11 2.206 -4.277 -4.592 88 HB3 ARG 11 HB1 ARG 11 3.253 -4.148 -5.999 89 HG2 ARG 11 HG2 ARG 11 2.007 -6.688 -4.962 90 HG3 ARG 11 HG1 ARG 11 1.450 -5.759 -6.350 91 HD2 ARG 11 HD2 ARG 11 2.700 -7.565 -7.222 92 HD3 ARG 11 HD1 ARG 11 3.729 -6.143 -7.370 93 HE ARG 11 HE ARG 11 4.655 -7.075 -5.107 94 HH11 ARG 11 HH11 ARG 11 3.703 -8.922 -7.925 95 HH12 ARG 11 HH12 ARG 11 4.807 -10.225 -7.589 96 HH21 ARG 11 HH21 ARG 11 6.124 -8.750 -4.686 97 HH22 ARG 11 HH22 ARG 11 6.214 -10.115 -5.763 98 H GLN 12 HN GLN 12 6.138 -3.954 -5.464 99 HA GLN 12 HA GLN 12 6.878 -2.211 -3.307 100 HB2 GLN 12 HB2 GLN 12 7.927 -2.574 -6.108 101 HB3 GLN 12 HB1 GLN 12 8.598 -1.412 -4.978 102 HG2 GLN 12 HG2 GLN 12 9.154 -3.212 -3.439 103 HG3 GLN 12 HG1 GLN 12 8.462 -4.384 -4.556 104 HE21 GLN 12 HE21 GLN 12 10.230 -1.625 -5.692 105 HE22 GLN 12 HE22 GLN 12 11.647 -2.487 -6.213 106 H PHE 13 HN PHE 13 6.424 -0.151 -3.009 107 HA PHE 13 HA PHE 13 5.446 1.463 -5.258 108 HB2 PHE 13 HB2 PHE 13 4.270 1.341 -2.470 109 HB3 PHE 13 HB1 PHE 13 3.908 2.626 -3.630 110 HD1 PHE 13 HD1 PHE 13 2.693 2.111 -5.702 111 HD2 PHE 13 HD2 PHE 13 3.290 -0.817 -2.675 112 HE1 PHE 13 HE1 PHE 13 0.925 0.724 -6.702 113 HE2 PHE 13 HE2 PHE 13 1.526 -2.212 -3.671 114 HZ PHE 13 HZ PHE 13 0.341 -1.442 -5.688 115 H ALA 14 HN ALA 14 5.552 3.858 -4.668 116 HA ALA 14 HA ALA 14 8.328 4.245 -3.862 117 HB1 ALA 14 HB1 ALA 14 8.201 6.333 -5.053 118 HB2 ALA 14 HB2 ALA 14 6.456 6.165 -5.229 119 HB3 ALA 14 HB3 ALA 14 7.538 5.045 -6.059 120 H ASP 15 HN ASP 15 5.103 5.280 -2.930 121 HA ASP 15 HA ASP 15 6.317 6.930 -0.797 122 HB2 ASP 15 HB2 ASP 15 4.821 7.974 -2.797 123 HB3 ASP 15 HB1 ASP 15 3.555 7.510 -1.691 124 HA PRO 16 HA PRO 16 3.733 4.592 2.068 125 HB2 PRO 16 HB2 PRO 16 3.759 7.025 3.716 126 HB3 PRO 16 HB1 PRO 16 4.389 5.422 4.094 127 HG2 PRO 16 HG2 PRO 16 6.002 7.535 3.622 128 HG3 PRO 16 HG1 PRO 16 6.453 5.874 3.188 129 HD2 PRO 16 HD2 PRO 16 5.431 8.080 1.447 130 HD3 PRO 16 HD1 PRO 16 6.675 6.863 1.099 131 H GLY 17 HN GLY 17 3.254 7.800 0.859 132 HA2 GLY 17 HA2 GLY 17 0.548 8.219 1.447 133 HA3 GLY 17 HA1 GLY 17 1.428 8.867 0.055 134 H ALA 18 HN ALA 18 2.098 6.543 -1.260 135 HA ALA 18 HA ALA 18 -0.418 5.941 -2.485 136 HB1 ALA 18 HB1 ALA 18 1.562 6.158 -3.869 137 HB2 ALA 18 HB2 ALA 18 0.854 4.547 -4.019 138 HB3 ALA 18 HB3 ALA 18 2.302 4.788 -3.041 139 H LEU 19 HN LEU 19 1.663 4.369 -0.138 140 HA LEU 19 HA LEU 19 0.557 1.797 -0.453 141 HB2 LEU 19 HB2 LEU 19 2.121 3.171 1.683 142 HB3 LEU 19 HB1 LEU 19 1.269 1.688 2.094 143 HG LEU 19 HG LEU 19 3.506 2.052 0.116 144 HD11 LEU 19 HD11 LEU 19 3.132 0.368 2.590 145 HD12 LEU 19 HD12 LEU 19 4.188 1.770 2.412 146 HD13 LEU 19 HD13 LEU 19 4.529 0.288 1.517 147 HD21 LEU 19 HD21 LEU 19 1.711 -0.344 0.504 148 HD22 LEU 19 HD22 LEU 19 3.214 -0.342 -0.414 149 HD23 LEU 19 HD23 LEU 19 1.855 0.640 -0.952 150 H GLN 20 HN GLN 20 -0.270 4.637 1.417 151 HA GLN 20 HA GLN 20 -2.177 3.234 2.899 152 HB2 GLN 20 HB2 GLN 20 -2.751 5.278 3.972 153 HB3 GLN 20 HB1 GLN 20 -1.024 5.338 3.657 154 HG2 GLN 20 HG2 GLN 20 -1.390 6.730 1.724 155 HG3 GLN 20 HG1 GLN 20 -3.131 6.657 1.984 156 HE21 GLN 20 HE21 GLN 20 -0.112 7.952 3.125 157 HE22 GLN 20 HE22 GLN 20 -0.793 9.146 4.176 158 H ARG 21 HN ARG 21 -2.227 5.166 0.116 159 HA ARG 21 HA ARG 21 -5.049 5.213 -0.294 160 HB2 ARG 21 HB2 ARG 21 -3.026 6.529 -1.446 161 HB3 ARG 21 HB1 ARG 21 -3.157 5.224 -2.610 162 HG2 ARG 21 HG2 ARG 21 -5.468 6.980 -1.810 163 HG3 ARG 21 HG1 ARG 21 -4.432 7.282 -3.204 164 HD2 ARG 21 HD2 ARG 21 -5.184 5.397 -4.329 165 HD3 ARG 21 HD1 ARG 21 -5.773 4.633 -2.856 166 HE ARG 21 HE ARG 21 -7.083 7.003 -4.017 167 HH11 ARG 21 HH11 ARG 21 -7.177 3.780 -2.674 168 HH12 ARG 21 HH12 ARG 21 -8.916 3.653 -2.745 169 HH21 ARG 21 HH21 ARG 21 -9.374 6.864 -4.096 170 HH22 ARG 21 HH22 ARG 21 -10.151 5.405 -3.548 171 H HIS 22 HN HIS 22 -2.421 3.087 -1.026 172 HA HIS 22 HA HIS 22 -3.757 1.343 -2.825 173 HB2 HIS 22 HB2 HIS 22 -1.277 1.520 -2.488 174 HB3 HIS 22 HB1 HIS 22 -1.474 0.636 -0.991 175 HD1 HIS 22 HD1 HIS 22 -2.360 0.096 -4.673 176 HD2 HIS 22 HD2 HIS 22 -1.187 -1.959 -1.265 177 HE1 HIS 22 HE1 HIS 22 -2.116 -2.320 -5.360 178 H VAL 23 HN VAL 23 -3.328 1.333 0.677 179 HA VAL 23 HA VAL 23 -4.163 -1.324 0.919 180 HB VAL 23 HB VAL 23 -4.171 0.830 3.043 181 HG11 VAL 23 HG11 VAL 23 -5.676 -0.964 3.672 182 HG12 VAL 23 HG12 VAL 23 -4.207 -1.052 4.643 183 HG13 VAL 23 HG13 VAL 23 -4.442 -2.167 3.293 184 HG21 VAL 23 HG21 VAL 23 -2.070 -0.185 3.760 185 HG22 VAL 23 HG22 VAL 23 -1.959 0.354 2.080 186 HG23 VAL 23 HG23 VAL 23 -2.175 -1.359 2.448 187 H ARG 24 HN ARG 24 -5.869 1.767 1.050 188 HA ARG 24 HA ARG 24 -8.427 0.780 1.671 189 HB2 ARG 24 HB2 ARG 24 -7.795 3.101 -0.152 190 HB3 ARG 24 HB1 ARG 24 -9.263 2.851 0.785 191 HG2 ARG 24 HG2 ARG 24 -6.541 3.231 1.995 192 HG3 ARG 24 HG1 ARG 24 -7.691 4.529 1.727 193 HD2 ARG 24 HD2 ARG 24 -8.151 2.093 3.444 194 HD3 ARG 24 HD1 ARG 24 -7.755 3.705 4.036 195 HE ARG 24 HE ARG 24 -10.290 2.900 2.785 196 HH11 ARG 24 HH11 ARG 24 -8.393 5.229 4.579 197 HH12 ARG 24 HH12 ARG 24 -9.772 6.163 5.073 198 HH21 ARG 24 HH21 ARG 24 -12.124 4.091 3.498 199 HH22 ARG 24 HH22 ARG 24 -11.879 5.502 4.486 200 H ILE 25 HN ILE 25 -6.558 0.789 -1.266 201 HA ILE 25 HA ILE 25 -8.517 0.220 -3.173 202 HB ILE 25 HB ILE 25 -5.609 -0.541 -2.984 203 HG12 ILE 25 HG12 ILE 25 -6.254 1.871 -3.222 204 HG13 ILE 25 HG11 ILE 25 -5.220 1.264 -4.507 205 HG21 ILE 25 HG21 ILE 25 -6.550 -2.218 -4.358 206 HG22 ILE 25 HG22 ILE 25 -5.757 -1.055 -5.423 207 HG23 ILE 25 HG23 ILE 25 -7.511 -1.040 -5.248 208 HD11 ILE 25 HD11 ILE 25 -6.946 2.686 -5.410 209 HD12 ILE 25 HD12 ILE 25 -8.196 1.711 -4.643 210 HD13 ILE 25 HD13 ILE 25 -7.217 1.027 -5.938 211 H HIS 26 HN HIS 26 -6.489 -1.992 -1.243 212 HA HIS 26 HA HIS 26 -7.634 -4.388 -2.183 213 HB2 HIS 26 HB2 HIS 26 -6.099 -3.663 0.290 214 HB3 HIS 26 HB1 HIS 26 -6.828 -5.255 0.151 215 HD1 HIS 26 HD1 HIS 26 -6.136 -5.962 -2.773 216 HD2 HIS 26 HD2 HIS 26 -3.504 -4.156 -0.092 217 HE1 HIS 26 HE1 HIS 26 -3.775 -6.537 -3.565 218 H THR 27 HN THR 27 -8.649 -2.101 0.227 219 HA THR 27 HA THR 27 -10.372 -3.843 1.661 220 HB THR 27 HB THR 27 -10.857 -0.886 1.540 221 HG1 THR 27 HG1 THR 27 -8.468 -2.057 2.082 222 HG21 THR 27 HG21 THR 27 -11.227 -1.217 3.948 223 HG22 THR 27 HG22 THR 27 -10.827 -2.926 3.764 224 HG23 THR 27 HG23 THR 27 -12.262 -2.266 2.981 225 H GLY 28 HN GLY 28 -10.685 -2.005 -1.271 226 HA2 GLY 28 HA2 GLY 28 -12.233 -2.404 -2.957 227 HA3 GLY 28 HA1 GLY 28 -13.131 -3.429 -1.851 228 H GLU 29 HN GLU 29 -12.821 -0.856 -0.026 229 HA GLU 29 HA GLU 29 -15.482 0.001 -0.515 230 HB2 GLU 29 HB2 GLU 29 -15.069 1.581 1.358 231 HB3 GLU 29 HB1 GLU 29 -14.745 -0.104 1.744 232 HG2 GLU 29 HG2 GLU 29 -12.412 0.223 1.577 233 HG3 GLU 29 HG1 GLU 29 -12.625 1.840 0.911 234 H LYS 30 HN LYS 30 -12.325 1.281 -1.273 235 HA LYS 30 HA LYS 30 -13.555 3.214 -3.033 236 HB2 LYS 30 HB2 LYS 30 -13.373 4.383 -0.820 237 HB3 LYS 30 HB1 LYS 30 -11.630 4.161 -0.900 238 HG2 LYS 30 HG2 LYS 30 -12.222 6.397 -1.600 239 HG3 LYS 30 HG1 LYS 30 -11.567 5.489 -2.964 240 HD2 LYS 30 HD2 LYS 30 -13.871 5.027 -3.723 241 HD3 LYS 30 HD1 LYS 30 -14.485 6.012 -2.394 242 HE2 LYS 30 HE2 LYS 30 -13.284 7.952 -3.291 243 HE3 LYS 30 HE1 LYS 30 -12.691 6.964 -4.625 244 HZ1 LYS 30 HZ1 LYS 30 -14.606 8.260 -5.299 245 HZ2 LYS 30 HZ2 LYS 30 -15.538 7.591 -4.051 246 HZ3 LYS 30 HZ3 LYS 30 -14.986 6.606 -5.321 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 16.155 -0.306 1.273 2 H2 MET 1 HT2 MET 1 15.867 -0.113 -0.389 3 H3 MET 1 HT3 MET 1 15.952 -1.664 0.279 4 HA MET 1 HA MET 1 13.686 -0.958 -0.214 5 HB2 MET 1 HB2 MET 1 12.732 -1.592 1.979 6 HB3 MET 1 HB1 MET 1 14.042 -2.651 1.482 7 HG2 MET 1 HG2 MET 1 15.563 -1.526 2.993 8 HG3 MET 1 HG1 MET 1 14.294 -0.394 3.456 9 HE1 MET 1 HE1 MET 1 14.634 -0.900 6.010 10 HE2 MET 1 HE2 MET 1 15.950 -2.004 5.614 11 HE3 MET 1 HE3 MET 1 14.662 -2.526 6.698 12 H LYS 2 HN LYS 2 14.615 1.494 -0.574 13 HA LYS 2 HA LYS 2 13.819 3.375 1.395 14 HB2 LYS 2 HB2 LYS 2 14.444 3.561 -1.529 15 HB3 LYS 2 HB1 LYS 2 13.683 4.925 -0.725 16 HG2 LYS 2 HG2 LYS 2 16.054 5.251 -0.785 17 HG3 LYS 2 HG1 LYS 2 15.549 4.981 0.883 18 HD2 LYS 2 HD2 LYS 2 16.233 2.609 0.646 19 HD3 LYS 2 HD1 LYS 2 16.848 2.982 -0.965 20 HE2 LYS 2 HE2 LYS 2 18.636 2.995 0.702 21 HE3 LYS 2 HE1 LYS 2 18.406 4.594 -0.007 22 HZ1 LYS 2 HZ1 LYS 2 17.285 5.332 1.928 23 HZ2 LYS 2 HZ2 LYS 2 18.700 4.560 2.454 24 HZ3 LYS 2 HZ3 LYS 2 17.202 3.772 2.578 25 HA PRO 3 HA PRO 3 9.632 3.492 -1.202 26 HB2 PRO 3 HB2 PRO 3 9.844 0.735 -2.308 27 HB3 PRO 3 HB1 PRO 3 9.097 2.182 -3.009 28 HG2 PRO 3 HG2 PRO 3 11.411 1.361 -3.922 29 HG3 PRO 3 HG1 PRO 3 11.137 3.088 -3.616 30 HD2 PRO 3 HD2 PRO 3 12.618 1.089 -1.927 31 HD3 PRO 3 HD1 PRO 3 13.086 2.747 -2.370 32 H TYR 4 HN TYR 4 7.670 2.193 -0.913 33 HA TYR 4 HA TYR 4 7.883 0.583 1.536 34 HB2 TYR 4 HB2 TYR 4 5.846 2.680 0.749 35 HB3 TYR 4 HB1 TYR 4 5.564 1.499 2.039 36 HD1 TYR 4 HD1 TYR 4 7.528 4.448 1.053 37 HD2 TYR 4 HD2 TYR 4 6.784 1.593 4.120 38 HE1 TYR 4 HE1 TYR 4 8.772 5.843 2.652 39 HE2 TYR 4 HE2 TYR 4 8.020 2.983 5.721 40 HH TYR 4 HH TYR 4 9.777 4.715 5.675 41 H VAL 5 HN VAL 5 7.051 -1.369 1.436 42 HA VAL 5 HA VAL 5 5.831 -2.156 -1.088 43 HB VAL 5 HB VAL 5 6.472 -4.362 -0.622 44 HG11 VAL 5 HG11 VAL 5 8.665 -2.657 0.528 45 HG12 VAL 5 HG12 VAL 5 8.310 -2.817 -1.191 46 HG13 VAL 5 HG13 VAL 5 8.845 -4.221 -0.267 47 HG21 VAL 5 HG21 VAL 5 7.361 -5.120 1.546 48 HG22 VAL 5 HG22 VAL 5 5.691 -4.559 1.666 49 HG23 VAL 5 HG23 VAL 5 7.011 -3.528 2.223 50 H CYS 6 HN CYS 6 3.932 -3.318 -1.235 51 HA CYS 6 HA CYS 6 1.924 -2.737 0.689 52 HB2 CYS 6 HB2 CYS 6 1.460 -3.011 -1.737 53 HB3 CYS 6 HB1 CYS 6 1.813 -4.728 -1.587 54 H ILE 7 HN ILE 7 1.254 -3.855 2.368 55 HA ILE 7 HA ILE 7 2.759 -6.045 3.338 56 HB ILE 7 HB ILE 7 0.187 -4.787 4.324 57 HG12 ILE 7 HG12 ILE 7 1.760 -3.893 6.128 58 HG13 ILE 7 HG11 ILE 7 3.083 -4.373 5.074 59 HG21 ILE 7 HG21 ILE 7 0.580 -5.915 6.427 60 HG22 ILE 7 HG22 ILE 7 2.002 -6.708 5.751 61 HG23 ILE 7 HG23 ILE 7 0.401 -7.073 5.110 62 HD11 ILE 7 HD11 ILE 7 0.905 -2.450 4.291 63 HD12 ILE 7 HD12 ILE 7 2.374 -2.828 3.388 64 HD13 ILE 7 HD13 ILE 7 2.478 -1.977 4.931 65 H HIS 8 HN HIS 8 -0.154 -5.720 1.484 66 HA HIS 8 HA HIS 8 -1.150 -8.322 2.330 67 HB2 HIS 8 HB2 HIS 8 -2.615 -6.247 2.024 68 HB3 HIS 8 HB1 HIS 8 -2.430 -6.513 0.287 69 HD1 HIS 8 HD1 HIS 8 -4.883 -6.957 2.627 70 HD2 HIS 8 HD2 HIS 8 -3.133 -9.599 -0.068 71 HE1 HIS 8 HE1 HIS 8 -6.547 -8.819 2.322 72 HE2 HIS 8 HE2 HIS 8 -5.413 -10.479 0.799 73 H CYS 9 HN CYS 9 0.063 -6.779 -0.669 74 HA CYS 9 HA CYS 9 -0.150 -9.443 -1.892 75 HB2 CYS 9 HB2 CYS 9 -0.807 -8.455 -3.928 76 HB3 CYS 9 HB1 CYS 9 -1.784 -7.705 -2.680 77 H GLN 10 HN GLN 10 1.994 -7.223 -0.828 78 HA GLN 10 HA GLN 10 4.242 -7.096 -0.892 79 HB2 GLN 10 HB2 GLN 10 4.071 -9.613 -2.556 80 HB3 GLN 10 HB1 GLN 10 5.515 -9.002 -1.740 81 HG2 GLN 10 HG2 GLN 10 4.435 -9.300 0.420 82 HG3 GLN 10 HG1 GLN 10 2.972 -9.879 -0.377 83 HE21 GLN 10 HE21 GLN 10 6.205 -10.635 0.600 84 HE22 GLN 10 HE22 GLN 10 6.125 -12.341 0.238 85 H ARG 11 HN ARG 11 3.271 -5.308 -2.463 86 HA ARG 11 HA ARG 11 4.893 -5.375 -4.913 87 HB2 ARG 11 HB2 ARG 11 2.192 -4.173 -4.335 88 HB3 ARG 11 HB1 ARG 11 3.197 -3.563 -5.639 89 HG2 ARG 11 HG2 ARG 11 2.581 -6.475 -5.511 90 HG3 ARG 11 HG1 ARG 11 1.353 -5.349 -6.092 91 HD2 ARG 11 HD2 ARG 11 2.412 -5.938 -8.050 92 HD3 ARG 11 HD1 ARG 11 3.265 -4.462 -7.612 93 HE ARG 11 HE ARG 11 4.393 -7.077 -6.888 94 HH11 ARG 11 HH11 ARG 11 4.663 -3.989 -8.510 95 HH12 ARG 11 HH12 ARG 11 6.245 -4.323 -9.154 96 HH21 ARG 11 HH21 ARG 11 6.462 -7.529 -7.721 97 HH22 ARG 11 HH22 ARG 11 7.266 -6.340 -8.701 98 H GLN 12 HN GLN 12 6.439 -3.770 -5.028 99 HA GLN 12 HA GLN 12 6.733 -1.971 -2.814 100 HB2 GLN 12 HB2 GLN 12 8.279 -2.099 -5.406 101 HB3 GLN 12 HB1 GLN 12 8.730 -1.173 -3.991 102 HG2 GLN 12 HG2 GLN 12 8.695 -3.469 -2.791 103 HG3 GLN 12 HG1 GLN 12 8.816 -4.116 -4.425 104 HE21 GLN 12 HE21 GLN 12 10.689 -3.707 -5.642 105 HE22 GLN 12 HE22 GLN 12 12.162 -3.164 -4.890 106 H PHE 13 HN PHE 13 6.069 0.074 -2.628 107 HA PHE 13 HA PHE 13 5.414 1.548 -5.094 108 HB2 PHE 13 HB2 PHE 13 3.900 1.458 -2.491 109 HB3 PHE 13 HB1 PHE 13 3.715 2.795 -3.634 110 HD1 PHE 13 HD1 PHE 13 2.649 2.476 -5.764 111 HD2 PHE 13 HD2 PHE 13 3.089 -0.759 -3.036 112 HE1 PHE 13 HE1 PHE 13 1.035 1.161 -7.073 113 HE2 PHE 13 HE2 PHE 13 1.477 -2.081 -4.342 114 HZ PHE 13 HZ PHE 13 0.450 -1.123 -6.362 115 H ALA 14 HN ALA 14 5.744 3.841 -4.995 116 HA ALA 14 HA ALA 14 8.369 4.226 -3.912 117 HB1 ALA 14 HB1 ALA 14 7.718 4.905 -6.183 118 HB2 ALA 14 HB2 ALA 14 8.419 6.221 -5.239 119 HB3 ALA 14 HB3 ALA 14 6.673 6.144 -5.482 120 H ASP 15 HN ASP 15 5.307 4.950 -2.641 121 HA ASP 15 HA ASP 15 6.470 6.953 -0.841 122 HB2 ASP 15 HB2 ASP 15 5.129 7.926 -2.929 123 HB3 ASP 15 HB1 ASP 15 3.758 7.504 -1.936 124 HA PRO 16 HA PRO 16 3.751 4.973 2.165 125 HB2 PRO 16 HB2 PRO 16 3.684 7.599 3.502 126 HB3 PRO 16 HB1 PRO 16 4.276 6.053 4.115 127 HG2 PRO 16 HG2 PRO 16 5.937 8.075 3.481 128 HG3 PRO 16 HG1 PRO 16 6.391 6.374 3.253 129 HD2 PRO 16 HD2 PRO 16 5.459 8.382 1.238 130 HD3 PRO 16 HD1 PRO 16 6.718 7.139 1.082 131 H GLY 17 HN GLY 17 3.280 8.000 0.553 132 HA2 GLY 17 HA2 GLY 17 0.557 8.469 0.942 133 HA3 GLY 17 HA1 GLY 17 1.481 8.874 -0.507 134 H ALA 18 HN ALA 18 2.157 6.605 -1.616 135 HA ALA 18 HA ALA 18 -0.243 5.725 -2.801 136 HB1 ALA 18 HB1 ALA 18 2.508 4.517 -2.945 137 HB2 ALA 18 HB2 ALA 18 1.809 5.694 -4.063 138 HB3 ALA 18 HB3 ALA 18 1.136 4.062 -3.957 139 H LEU 19 HN LEU 19 1.555 4.560 -0.039 140 HA LEU 19 HA LEU 19 0.478 1.937 -0.107 141 HB2 LEU 19 HB2 LEU 19 2.133 3.518 1.743 142 HB3 LEU 19 HB1 LEU 19 1.064 2.360 2.529 143 HG LEU 19 HG LEU 19 3.314 1.446 2.132 144 HD11 LEU 19 HD11 LEU 19 2.603 -0.650 1.084 145 HD12 LEU 19 HD12 LEU 19 1.131 0.137 0.516 146 HD13 LEU 19 HD13 LEU 19 1.412 -0.061 2.246 147 HD21 LEU 19 HD21 LEU 19 2.628 1.674 -0.795 148 HD22 LEU 19 HD22 LEU 19 4.091 0.969 -0.098 149 HD23 LEU 19 HD23 LEU 19 3.783 2.699 0.057 150 H GLN 20 HN GLN 20 -0.453 5.013 1.245 151 HA GLN 20 HA GLN 20 -2.537 3.887 2.739 152 HB2 GLN 20 HB2 GLN 20 -2.100 6.728 1.877 153 HB3 GLN 20 HB1 GLN 20 -3.393 6.236 2.960 154 HG2 GLN 20 HG2 GLN 20 -1.735 5.446 4.570 155 HG3 GLN 20 HG1 GLN 20 -0.443 5.960 3.485 156 HE21 GLN 20 HE21 GLN 20 0.387 7.393 5.004 157 HE22 GLN 20 HE22 GLN 20 -0.397 8.888 5.389 158 H ARG 21 HN ARG 21 -2.299 5.380 -0.337 159 HA ARG 21 HA ARG 21 -5.020 5.255 -1.100 160 HB2 ARG 21 HB2 ARG 21 -2.414 5.500 -2.488 161 HB3 ARG 21 HB1 ARG 21 -3.721 4.837 -3.447 162 HG2 ARG 21 HG2 ARG 21 -3.818 7.088 -3.928 163 HG3 ARG 21 HG1 ARG 21 -5.041 6.912 -2.674 164 HD2 ARG 21 HD2 ARG 21 -2.223 7.685 -2.000 165 HD3 ARG 21 HD1 ARG 21 -3.392 8.887 -2.536 166 HE ARG 21 HE ARG 21 -4.643 7.564 -0.492 167 HH11 ARG 21 HH11 ARG 21 -1.636 9.323 -0.861 168 HH12 ARG 21 HH12 ARG 21 -1.600 9.858 0.797 169 HH21 ARG 21 HH21 ARG 21 -4.624 8.284 1.658 170 HH22 ARG 21 HH22 ARG 21 -3.304 9.263 2.231 171 H HIS 22 HN HIS 22 -2.371 3.008 -1.097 172 HA HIS 22 HA HIS 22 -3.583 1.115 -2.871 173 HB2 HIS 22 HB2 HIS 22 -1.106 1.474 -2.475 174 HB3 HIS 22 HB1 HIS 22 -1.307 0.585 -0.977 175 HD1 HIS 22 HD1 HIS 22 -2.005 0.025 -4.691 176 HD2 HIS 22 HD2 HIS 22 -0.957 -2.015 -1.227 177 HE1 HIS 22 HE1 HIS 22 -1.625 -2.378 -5.369 178 H VAL 23 HN VAL 23 -3.028 1.246 0.626 179 HA VAL 23 HA VAL 23 -3.859 -1.407 0.967 180 HB VAL 23 HB VAL 23 -3.618 0.788 3.032 181 HG11 VAL 23 HG11 VAL 23 -4.058 -2.178 3.408 182 HG12 VAL 23 HG12 VAL 23 -5.168 -0.882 3.860 183 HG13 VAL 23 HG13 VAL 23 -3.622 -1.049 4.694 184 HG21 VAL 23 HG21 VAL 23 -1.813 -1.537 2.345 185 HG22 VAL 23 HG22 VAL 23 -1.543 -0.366 3.635 186 HG23 VAL 23 HG23 VAL 23 -1.515 0.157 1.951 187 H ARG 24 HN ARG 24 -5.565 1.682 1.074 188 HA ARG 24 HA ARG 24 -7.998 0.497 2.030 189 HB2 ARG 24 HB2 ARG 24 -9.068 2.606 1.572 190 HB3 ARG 24 HB1 ARG 24 -7.534 2.889 2.376 191 HG2 ARG 24 HG2 ARG 24 -6.524 3.631 0.361 192 HG3 ARG 24 HG1 ARG 24 -7.908 3.098 -0.597 193 HD2 ARG 24 HD2 ARG 24 -7.896 5.534 -0.228 194 HD3 ARG 24 HD1 ARG 24 -9.323 4.752 0.452 195 HE ARG 24 HE ARG 24 -7.010 5.420 2.151 196 HH11 ARG 24 HH11 ARG 24 -10.418 5.659 1.398 197 HH12 ARG 24 HH12 ARG 24 -10.810 6.510 2.862 198 HH21 ARG 24 HH21 ARG 24 -7.516 6.534 4.073 199 HH22 ARG 24 HH22 ARG 24 -9.157 7.014 4.385 200 H ILE 25 HN ILE 25 -6.415 0.524 -0.966 201 HA ILE 25 HA ILE 25 -8.682 0.145 -2.642 202 HB ILE 25 HB ILE 25 -5.758 -0.495 -2.935 203 HG12 ILE 25 HG12 ILE 25 -6.341 1.800 -3.279 204 HG13 ILE 25 HG11 ILE 25 -5.967 1.096 -4.839 205 HG21 ILE 25 HG21 ILE 25 -6.857 -2.317 -4.030 206 HG22 ILE 25 HG22 ILE 25 -6.199 -1.209 -5.237 207 HG23 ILE 25 HG23 ILE 25 -7.924 -1.200 -4.884 208 HD11 ILE 25 HD11 ILE 25 -7.881 2.561 -4.995 209 HD12 ILE 25 HD12 ILE 25 -8.716 1.641 -3.742 210 HD13 ILE 25 HD13 ILE 25 -8.363 0.894 -5.301 211 H HIS 26 HN HIS 26 -6.462 -2.072 -0.938 212 HA HIS 26 HA HIS 26 -7.762 -4.461 -1.739 213 HB2 HIS 26 HB2 HIS 26 -5.971 -3.814 0.595 214 HB3 HIS 26 HB1 HIS 26 -6.698 -5.402 0.409 215 HD1 HIS 26 HD1 HIS 26 -6.189 -6.009 -2.556 216 HD2 HIS 26 HD2 HIS 26 -3.430 -4.196 -0.017 217 HE1 HIS 26 HE1 HIS 26 -3.878 -6.478 -3.534 218 H THR 27 HN THR 27 -7.970 -2.517 1.229 219 HA THR 27 HA THR 27 -10.206 -4.121 2.134 220 HB THR 27 HB THR 27 -8.403 -3.413 3.723 221 HG1 THR 27 HG1 THR 27 -10.305 -4.030 4.656 222 HG21 THR 27 HG21 THR 27 -9.688 -0.695 3.471 223 HG22 THR 27 HG22 THR 27 -8.056 -1.120 2.938 224 HG23 THR 27 HG23 THR 27 -8.464 -1.155 4.656 225 H GLY 28 HN GLY 28 -10.968 -3.045 -0.130 226 HA2 GLY 28 HA2 GLY 28 -12.300 -0.538 0.063 227 HA3 GLY 28 HA1 GLY 28 -12.618 -1.791 -1.132 228 H GLU 29 HN GLU 29 -12.985 -1.377 2.357 229 HA GLU 29 HA GLU 29 -15.333 -2.995 2.475 230 HB2 GLU 29 HB2 GLU 29 -13.813 -1.332 4.470 231 HB3 GLU 29 HB1 GLU 29 -15.239 -2.253 4.890 232 HG2 GLU 29 HG2 GLU 29 -12.621 -3.312 3.883 233 HG3 GLU 29 HG1 GLU 29 -13.331 -3.537 5.480 234 H LYS 30 HN LYS 30 -14.576 0.429 2.707 235 HA LYS 30 HA LYS 30 -17.382 1.004 2.154 236 HB2 LYS 30 HB2 LYS 30 -17.022 1.269 4.603 237 HB3 LYS 30 HB1 LYS 30 -15.785 2.473 4.260 238 HG2 LYS 30 HG2 LYS 30 -17.956 3.467 4.855 239 HG3 LYS 30 HG1 LYS 30 -17.414 3.925 3.239 240 HD2 LYS 30 HD2 LYS 30 -18.842 2.058 2.348 241 HD3 LYS 30 HD1 LYS 30 -19.507 1.886 3.973 242 HE2 LYS 30 HE2 LYS 30 -19.573 4.417 2.338 243 HE3 LYS 30 HE1 LYS 30 -20.906 3.270 2.472 244 HZ1 LYS 30 HZ1 LYS 30 -20.958 3.687 4.860 245 HZ2 LYS 30 HZ2 LYS 30 -21.207 5.109 3.977 246 HZ3 LYS 30 HZ3 LYS 30 -19.703 4.818 4.708 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 17.893 3.105 1.728 2 H2 MET 1 HT2 MET 1 16.889 4.444 1.992 3 H3 MET 1 HT3 MET 1 18.263 4.599 1.018 4 HA MET 1 HA MET 1 16.255 4.495 -0.309 5 HB2 MET 1 HB2 MET 1 18.047 2.068 -0.520 6 HB3 MET 1 HB1 MET 1 16.932 2.594 -1.772 7 HG2 MET 1 HG2 MET 1 18.158 4.662 -2.036 8 HG3 MET 1 HG1 MET 1 19.245 4.207 -0.723 9 HE1 MET 1 HE1 MET 1 20.225 5.102 -3.658 10 HE2 MET 1 HE2 MET 1 21.542 3.948 -3.874 11 HE3 MET 1 HE3 MET 1 21.284 4.712 -2.304 12 H LYS 2 HN LYS 2 14.921 3.966 1.865 13 HA LYS 2 HA LYS 2 13.953 1.220 1.868 14 HB2 LYS 2 HB2 LYS 2 14.329 2.242 4.026 15 HB3 LYS 2 HB1 LYS 2 13.314 3.611 3.606 16 HG2 LYS 2 HG2 LYS 2 12.148 2.131 5.110 17 HG3 LYS 2 HG1 LYS 2 11.361 2.128 3.530 18 HD2 LYS 2 HD2 LYS 2 12.464 0.027 2.974 19 HD3 LYS 2 HD1 LYS 2 13.297 0.041 4.530 20 HE2 LYS 2 HE2 LYS 2 11.130 -0.055 5.680 21 HE3 LYS 2 HE1 LYS 2 10.310 -0.096 4.120 22 HZ1 LYS 2 HZ1 LYS 2 10.573 -2.299 5.143 23 HZ2 LYS 2 HZ2 LYS 2 12.259 -2.131 5.047 24 HZ3 LYS 2 HZ3 LYS 2 11.332 -2.192 3.627 25 HA PRO 3 HA PRO 3 10.523 2.608 -0.708 26 HB2 PRO 3 HB2 PRO 3 9.855 0.220 -1.672 27 HB3 PRO 3 HB1 PRO 3 11.340 1.025 -2.219 28 HG2 PRO 3 HG2 PRO 3 11.001 -1.175 -0.215 29 HG3 PRO 3 HG1 PRO 3 12.218 -0.994 -1.488 30 HD2 PRO 3 HD2 PRO 3 12.614 -0.340 1.169 31 HD3 PRO 3 HD1 PRO 3 13.550 0.328 -0.183 32 H TYR 4 HN TYR 4 8.215 1.768 -0.831 33 HA TYR 4 HA TYR 4 7.405 0.724 1.785 34 HB2 TYR 4 HB2 TYR 4 5.968 2.802 0.095 35 HB3 TYR 4 HB1 TYR 4 5.392 2.121 1.618 36 HD1 TYR 4 HD2 TYR 4 6.414 2.728 3.739 37 HD2 TYR 4 HD1 TYR 4 7.830 4.367 0.083 38 HE1 TYR 4 HE2 TYR 4 7.602 4.475 4.990 39 HE2 TYR 4 HE1 TYR 4 9.020 6.127 1.322 40 HH TYR 4 HH TYR 4 9.509 5.995 4.683 41 H VAL 5 HN VAL 5 6.571 -1.207 1.619 42 HA VAL 5 HA VAL 5 5.647 -2.076 -1.021 43 HB VAL 5 HB VAL 5 6.253 -4.333 -0.349 44 HG11 VAL 5 HG11 VAL 5 8.686 -4.066 -0.254 45 HG12 VAL 5 HG12 VAL 5 8.476 -2.362 0.147 46 HG13 VAL 5 HG13 VAL 5 7.954 -2.969 -1.424 47 HG21 VAL 5 HG21 VAL 5 7.470 -4.759 1.741 48 HG22 VAL 5 HG22 VAL 5 5.821 -4.210 2.035 49 HG23 VAL 5 HG23 VAL 5 7.171 -3.095 2.239 50 H CYS 6 HN CYS 6 3.697 -3.009 -1.284 51 HA CYS 6 HA CYS 6 1.682 -2.690 0.654 52 HB2 CYS 6 HB2 CYS 6 1.251 -2.913 -1.804 53 HB3 CYS 6 HB1 CYS 6 1.632 -4.627 -1.670 54 H ILE 7 HN ILE 7 1.230 -3.849 2.366 55 HA ILE 7 HA ILE 7 2.821 -6.060 3.120 56 HB ILE 7 HB ILE 7 0.307 -4.929 4.374 57 HG12 ILE 7 HG12 ILE 7 2.054 -4.040 6.062 58 HG13 ILE 7 HG11 ILE 7 3.228 -4.326 4.783 59 HG21 ILE 7 HG21 ILE 7 2.357 -6.808 5.506 60 HG22 ILE 7 HG22 ILE 7 0.692 -7.198 5.082 61 HG23 ILE 7 HG23 ILE 7 1.025 -6.081 6.405 62 HD11 ILE 7 HD11 ILE 7 2.351 -1.985 4.966 63 HD12 ILE 7 HD12 ILE 7 0.792 -2.608 4.419 64 HD13 ILE 7 HD13 ILE 7 2.207 -2.725 3.373 65 H HIS 8 HN HIS 8 -0.170 -5.673 1.451 66 HA HIS 8 HA HIS 8 -1.162 -8.263 2.327 67 HB2 HIS 8 HB2 HIS 8 -2.526 -6.028 2.042 68 HB3 HIS 8 HB1 HIS 8 -2.645 -6.572 0.361 69 HD1 HIS 8 HD1 HIS 8 -4.975 -6.403 2.642 70 HD2 HIS 8 HD2 HIS 8 -3.105 -9.808 1.139 71 HE1 HIS 8 HE1 HIS 8 -6.574 -8.304 3.051 72 HE2 HIS 8 HE2 HIS 8 -5.339 -10.370 2.308 73 H CYS 9 HN CYS 9 -0.149 -6.697 -0.736 74 HA CYS 9 HA CYS 9 -0.391 -9.364 -1.937 75 HB2 CYS 9 HB2 CYS 9 -1.014 -8.383 -3.998 76 HB3 CYS 9 HB1 CYS 9 -2.001 -7.627 -2.760 77 H GLN 10 HN GLN 10 1.779 -7.123 -0.935 78 HA GLN 10 HA GLN 10 4.017 -6.956 -1.050 79 HB2 GLN 10 HB2 GLN 10 3.816 -9.535 -2.606 80 HB3 GLN 10 HB1 GLN 10 5.314 -8.843 -1.980 81 HG2 GLN 10 HG2 GLN 10 4.433 -9.035 0.299 82 HG3 GLN 10 HG1 GLN 10 2.958 -9.758 -0.343 83 HE21 GLN 10 HE21 GLN 10 6.123 -10.392 -1.671 84 HE22 GLN 10 HE22 GLN 10 6.223 -12.050 -1.148 85 H ARG 11 HN ARG 11 3.637 -5.049 -2.352 86 HA ARG 11 HA ARG 11 5.072 -5.270 -4.879 87 HB2 ARG 11 HB2 ARG 11 2.551 -3.692 -4.351 88 HB3 ARG 11 HB1 ARG 11 3.593 -3.435 -5.740 89 HG2 ARG 11 HG2 ARG 11 3.178 -5.788 -6.420 90 HG3 ARG 11 HG1 ARG 11 2.037 -5.921 -5.078 91 HD2 ARG 11 HD2 ARG 11 0.806 -3.972 -6.048 92 HD3 ARG 11 HD1 ARG 11 1.863 -4.078 -7.453 93 HE ARG 11 HE ARG 11 0.617 -6.577 -6.915 94 HH11 ARG 11 HH11 ARG 11 0.104 -3.422 -8.343 95 HH12 ARG 11 HH12 ARG 11 -1.265 -3.932 -9.292 96 HH21 ARG 11 HH21 ARG 11 -1.138 -7.266 -8.189 97 HH22 ARG 11 HH22 ARG 11 -1.965 -6.135 -9.216 98 H GLN 12 HN GLN 12 6.685 -3.751 -5.045 99 HA GLN 12 HA GLN 12 7.110 -2.057 -2.733 100 HB2 GLN 12 HB2 GLN 12 8.873 -2.328 -5.160 101 HB3 GLN 12 HB1 GLN 12 9.315 -1.724 -3.579 102 HG2 GLN 12 HG2 GLN 12 8.828 -4.017 -2.680 103 HG3 GLN 12 HG1 GLN 12 8.710 -4.552 -4.356 104 HE21 GLN 12 HE21 GLN 12 10.573 -4.480 -5.672 105 HE22 GLN 12 HE22 GLN 12 12.167 -4.428 -4.967 106 H PHE 13 HN PHE 13 6.199 -0.102 -2.702 107 HA PHE 13 HA PHE 13 6.128 1.464 -5.202 108 HB2 PHE 13 HB2 PHE 13 4.486 1.798 -2.674 109 HB3 PHE 13 HB1 PHE 13 4.406 2.856 -4.086 110 HD1 PHE 13 HD1 PHE 13 3.507 2.013 -6.211 111 HD2 PHE 13 HD2 PHE 13 3.387 -0.307 -2.647 112 HE1 PHE 13 HE1 PHE 13 1.806 0.555 -7.224 113 HE2 PHE 13 HE2 PHE 13 1.687 -1.770 -3.653 114 HZ PHE 13 HZ PHE 13 0.897 -1.340 -5.946 115 H ALA 14 HN ALA 14 6.355 3.860 -4.841 116 HA ALA 14 HA ALA 14 8.889 4.274 -3.507 117 HB1 ALA 14 HB1 ALA 14 9.023 6.294 -4.722 118 HB2 ALA 14 HB2 ALA 14 7.282 6.329 -4.998 119 HB3 ALA 14 HB3 ALA 14 8.284 5.124 -5.820 120 H ASP 15 HN ASP 15 5.563 5.325 -3.118 121 HA ASP 15 HA ASP 15 6.439 7.169 -1.000 122 HB2 ASP 15 HB2 ASP 15 4.120 7.463 -2.920 123 HB3 ASP 15 HB1 ASP 15 4.497 8.564 -1.612 124 HA PRO 16 HA PRO 16 3.711 5.023 1.790 125 HB2 PRO 16 HB2 PRO 16 3.540 7.572 3.247 126 HB3 PRO 16 HB1 PRO 16 4.198 6.021 3.778 127 HG2 PRO 16 HG2 PRO 16 5.776 8.139 3.248 128 HG3 PRO 16 HG1 PRO 16 6.293 6.471 2.944 129 HD2 PRO 16 HD2 PRO 16 5.304 8.534 1.012 130 HD3 PRO 16 HD1 PRO 16 6.612 7.338 0.826 131 H GLY 17 HN GLY 17 3.043 8.140 0.354 132 HA2 GLY 17 HA2 GLY 17 0.316 8.384 1.013 133 HA3 GLY 17 HA1 GLY 17 1.100 9.101 -0.390 134 H ALA 18 HN ALA 18 1.958 6.567 -1.509 135 HA ALA 18 HA ALA 18 -0.519 5.849 -2.788 136 HB1 ALA 18 HB1 ALA 18 1.453 5.963 -4.173 137 HB2 ALA 18 HB2 ALA 18 0.848 4.305 -4.126 138 HB3 ALA 18 HB3 ALA 18 2.261 4.755 -3.172 139 H LEU 19 HN LEU 19 1.549 4.521 -0.289 140 HA LEU 19 HA LEU 19 0.495 1.901 -0.414 141 HB2 LEU 19 HB2 LEU 19 2.258 3.421 1.382 142 HB3 LEU 19 HB1 LEU 19 1.278 2.203 2.193 143 HG LEU 19 HG LEU 19 3.499 1.356 1.562 144 HD11 LEU 19 HD11 LEU 19 2.733 -0.691 0.470 145 HD12 LEU 19 HD12 LEU 19 1.222 0.107 0.028 146 HD13 LEU 19 HD13 LEU 19 1.605 -0.178 1.727 147 HD21 LEU 19 HD21 LEU 19 4.074 1.012 -0.755 148 HD22 LEU 19 HD22 LEU 19 3.788 2.730 -0.457 149 HD23 LEU 19 HD23 LEU 19 2.559 1.759 -1.270 150 H GLN 20 HN GLN 20 -0.404 4.878 1.163 151 HA GLN 20 HA GLN 20 -2.266 3.580 2.806 152 HB2 GLN 20 HB2 GLN 20 -2.952 5.733 3.601 153 HB3 GLN 20 HB1 GLN 20 -1.213 5.767 3.379 154 HG2 GLN 20 HG2 GLN 20 -1.542 6.872 1.206 155 HG3 GLN 20 HG1 GLN 20 -3.271 6.931 1.540 156 HE21 GLN 20 HE21 GLN 20 -2.853 7.428 4.399 157 HE22 GLN 20 HE22 GLN 20 -2.361 9.090 4.517 158 H ARG 21 HN ARG 21 -2.366 5.213 -0.172 159 HA ARG 21 HA ARG 21 -5.176 5.076 -0.603 160 HB2 ARG 21 HB2 ARG 21 -3.177 6.345 -1.868 161 HB3 ARG 21 HB1 ARG 21 -3.290 4.937 -2.906 162 HG2 ARG 21 HG2 ARG 21 -5.641 6.692 -2.250 163 HG3 ARG 21 HG1 ARG 21 -4.607 6.931 -3.656 164 HD2 ARG 21 HD2 ARG 21 -5.183 4.715 -4.477 165 HD3 ARG 21 HD1 ARG 21 -6.173 4.426 -3.045 166 HE ARG 21 HE ARG 21 -7.214 6.707 -4.128 167 HH11 ARG 21 HH11 ARG 21 -6.604 3.485 -5.337 168 HH12 ARG 21 HH12 ARG 21 -7.932 3.511 -6.455 169 HH21 ARG 21 HH21 ARG 21 -8.956 6.753 -5.578 170 HH22 ARG 21 HH22 ARG 21 -9.275 5.380 -6.599 171 H HIS 22 HN HIS 22 -2.451 2.992 -1.078 172 HA HIS 22 HA HIS 22 -3.704 1.095 -2.812 173 HB2 HIS 22 HB2 HIS 22 -1.217 1.494 -2.426 174 HB3 HIS 22 HB1 HIS 22 -1.392 0.531 -0.974 175 HD1 HIS 22 HD1 HIS 22 -1.648 0.205 -4.748 176 HD2 HIS 22 HD2 HIS 22 -1.416 -2.128 -1.318 177 HE1 HIS 22 HE1 HIS 22 -1.283 -2.177 -5.528 178 H VAL 23 HN VAL 23 -2.974 1.086 0.662 179 HA VAL 23 HA VAL 23 -3.850 -1.548 1.002 180 HB VAL 23 HB VAL 23 -3.523 0.630 3.080 181 HG11 VAL 23 HG11 VAL 23 -5.033 -1.074 3.922 182 HG12 VAL 23 HG12 VAL 23 -3.469 -1.198 4.728 183 HG13 VAL 23 HG13 VAL 23 -3.899 -2.342 3.454 184 HG21 VAL 23 HG21 VAL 23 -1.722 -1.677 2.336 185 HG22 VAL 23 HG22 VAL 23 -1.410 -0.465 3.580 186 HG23 VAL 23 HG23 VAL 23 -1.467 0.008 1.882 187 H ARG 24 HN ARG 24 -5.455 1.558 1.196 188 HA ARG 24 HA ARG 24 -7.899 0.508 2.252 189 HB2 ARG 24 HB2 ARG 24 -7.421 3.126 0.818 190 HB3 ARG 24 HB1 ARG 24 -8.860 2.699 1.730 191 HG2 ARG 24 HG2 ARG 24 -7.253 2.377 3.710 192 HG3 ARG 24 HG1 ARG 24 -6.109 3.297 2.732 193 HD2 ARG 24 HD2 ARG 24 -7.186 4.885 4.098 194 HD3 ARG 24 HD1 ARG 24 -7.937 5.047 2.509 195 HE ARG 24 HE ARG 24 -9.335 3.218 4.225 196 HH11 ARG 24 HH11 ARG 24 -8.932 6.620 3.448 197 HH12 ARG 24 HH12 ARG 24 -10.493 7.078 4.064 198 HH21 ARG 24 HH21 ARG 24 -11.400 3.802 4.984 199 HH22 ARG 24 HH22 ARG 24 -11.914 5.466 4.915 200 H ILE 25 HN ILE 25 -6.447 0.345 -0.781 201 HA ILE 25 HA ILE 25 -8.813 0.161 -2.373 202 HB ILE 25 HB ILE 25 -5.964 -0.727 -2.807 203 HG12 ILE 25 HG12 ILE 25 -7.667 1.282 -4.281 204 HG13 ILE 25 HG11 ILE 25 -6.544 1.679 -2.995 205 HG21 ILE 25 HG21 ILE 25 -7.311 -2.378 -3.905 206 HG22 ILE 25 HG22 ILE 25 -6.600 -1.301 -5.109 207 HG23 ILE 25 HG23 ILE 25 -8.293 -1.119 -4.656 208 HD11 ILE 25 HD11 ILE 25 -5.583 2.119 -5.179 209 HD12 ILE 25 HD12 ILE 25 -5.815 0.426 -5.624 210 HD13 ILE 25 HD13 ILE 25 -4.692 0.856 -4.333 211 H HIS 26 HN HIS 26 -6.622 -2.191 -0.854 212 HA HIS 26 HA HIS 26 -7.979 -4.503 -1.718 213 HB2 HIS 26 HB2 HIS 26 -6.176 -3.999 0.638 214 HB3 HIS 26 HB1 HIS 26 -6.890 -5.574 0.342 215 HD1 HIS 26 HD1 HIS 26 -6.377 -6.005 -2.637 216 HD2 HIS 26 HD2 HIS 26 -3.625 -4.258 -0.037 217 HE1 HIS 26 HE1 HIS 26 -4.069 -6.412 -3.634 218 H THR 27 HN THR 27 -8.207 -2.696 1.332 219 HA THR 27 HA THR 27 -10.234 -4.521 2.301 220 HB THR 27 HB THR 27 -9.253 -2.031 3.686 221 HG1 THR 27 HG1 THR 27 -7.511 -3.188 4.380 222 HG21 THR 27 HG21 THR 27 -9.767 -3.359 5.708 223 HG22 THR 27 HG22 THR 27 -10.365 -4.663 4.680 224 HG23 THR 27 HG23 THR 27 -11.192 -3.105 4.699 225 H GLY 28 HN GLY 28 -10.085 -1.340 0.902 226 HA2 GLY 28 HA2 GLY 28 -11.808 -0.104 -0.012 227 HA3 GLY 28 HA1 GLY 28 -12.934 -1.339 0.535 228 H GLU 29 HN GLU 29 -13.002 -1.387 3.080 229 HA GLU 29 HA GLU 29 -14.112 1.175 3.811 230 HB2 GLU 29 HB2 GLU 29 -13.819 -1.298 5.519 231 HB3 GLU 29 HB1 GLU 29 -14.898 0.060 5.802 232 HG2 GLU 29 HG2 GLU 29 -16.188 -0.523 3.842 233 HG3 GLU 29 HG1 GLU 29 -15.079 -1.847 3.482 234 H LYS 30 HN LYS 30 -11.638 -0.965 5.112 235 HA LYS 30 HA LYS 30 -10.783 1.021 7.040 236 HB2 LYS 30 HB2 LYS 30 -9.520 -1.677 6.549 237 HB3 LYS 30 HB1 LYS 30 -9.485 -0.714 8.020 238 HG2 LYS 30 HG2 LYS 30 -11.966 -1.974 6.869 239 HG3 LYS 30 HG1 LYS 30 -10.976 -2.690 8.141 240 HD2 LYS 30 HD2 LYS 30 -11.588 -1.089 9.701 241 HD3 LYS 30 HD1 LYS 30 -12.052 0.082 8.463 242 HE2 LYS 30 HE2 LYS 30 -13.956 -0.976 9.726 243 HE3 LYS 30 HE1 LYS 30 -14.050 -1.089 7.971 244 HZ1 LYS 30 HZ1 LYS 30 -13.262 -3.353 8.086 245 HZ2 LYS 30 HZ2 LYS 30 -14.630 -3.176 9.072 246 HZ3 LYS 30 HZ3 LYS 30 -13.093 -3.251 9.770 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 12.087 -0.632 2.172 2 H2 MET 1 HT2 MET 1 10.739 -0.091 3.040 3 H3 MET 1 HT3 MET 1 11.625 -1.418 3.594 4 HA MET 1 HA MET 1 12.133 0.534 4.890 5 HB2 MET 1 HB2 MET 1 14.364 -0.362 3.050 6 HB3 MET 1 HB1 MET 1 14.605 0.547 4.535 7 HG2 MET 1 HG2 MET 1 13.677 -1.287 5.830 8 HG3 MET 1 HG1 MET 1 13.371 -2.194 4.350 9 HE1 MET 1 HE1 MET 1 15.267 -3.130 2.771 10 HE2 MET 1 HE2 MET 1 16.994 -2.934 3.072 11 HE3 MET 1 HE3 MET 1 16.012 -1.537 2.639 12 H LYS 2 HN LYS 2 13.989 1.127 1.921 13 HA LYS 2 HA LYS 2 13.508 3.947 2.123 14 HB2 LYS 2 HB2 LYS 2 14.772 2.399 -0.150 15 HB3 LYS 2 HB1 LYS 2 14.847 4.140 0.088 16 HG2 LYS 2 HG2 LYS 2 16.115 3.828 2.132 17 HG3 LYS 2 HG1 LYS 2 16.006 2.077 1.950 18 HD2 LYS 2 HD2 LYS 2 18.157 2.774 1.166 19 HD3 LYS 2 HD1 LYS 2 17.190 2.301 -0.231 20 HE2 LYS 2 HE2 LYS 2 16.717 4.621 -0.730 21 HE3 LYS 2 HE1 LYS 2 17.576 5.136 0.720 22 HZ1 LYS 2 HZ1 LYS 2 18.777 3.748 -1.617 23 HZ2 LYS 2 HZ2 LYS 2 19.606 4.186 -0.204 24 HZ3 LYS 2 HZ3 LYS 2 18.967 5.385 -1.219 25 HA PRO 3 HA PRO 3 10.310 3.104 -1.293 26 HB2 PRO 3 HB2 PRO 3 9.984 0.664 -2.336 27 HB3 PRO 3 HB1 PRO 3 11.212 1.771 -2.979 28 HG2 PRO 3 HG2 PRO 3 11.534 -0.522 -1.080 29 HG3 PRO 3 HG1 PRO 3 12.524 -0.074 -2.475 30 HD2 PRO 3 HD2 PRO 3 13.182 0.551 0.108 31 HD3 PRO 3 HD1 PRO 3 13.692 1.511 -1.296 32 H TYR 4 HN TYR 4 8.171 1.908 -1.257 33 HA TYR 4 HA TYR 4 7.780 0.753 1.409 34 HB2 TYR 4 HB2 TYR 4 5.994 2.787 0.023 35 HB3 TYR 4 HB1 TYR 4 5.728 2.054 1.605 36 HD1 TYR 4 HD2 TYR 4 7.263 2.571 3.499 37 HD2 TYR 4 HD1 TYR 4 7.533 4.587 -0.239 38 HE1 TYR 4 HE2 TYR 4 8.555 4.367 4.570 39 HE2 TYR 4 HE1 TYR 4 8.820 6.390 0.822 40 HH TYR 4 HH TYR 4 9.137 7.349 3.070 41 H VAL 5 HN VAL 5 6.938 -1.192 1.300 42 HA VAL 5 HA VAL 5 5.753 -2.029 -1.241 43 HB VAL 5 HB VAL 5 6.410 -4.241 -0.727 44 HG11 VAL 5 HG11 VAL 5 8.617 -2.389 0.143 45 HG12 VAL 5 HG12 VAL 5 8.206 -2.812 -1.519 46 HG13 VAL 5 HG13 VAL 5 8.827 -4.046 -0.424 47 HG21 VAL 5 HG21 VAL 5 7.416 -4.923 1.400 48 HG22 VAL 5 HG22 VAL 5 5.777 -4.316 1.631 49 HG23 VAL 5 HG23 VAL 5 7.158 -3.301 2.038 50 H CYS 6 HN CYS 6 3.821 -3.140 -1.333 51 HA CYS 6 HA CYS 6 1.888 -2.657 0.682 52 HB2 CYS 6 HB2 CYS 6 1.260 -2.959 -1.680 53 HB3 CYS 6 HB1 CYS 6 1.788 -4.634 -1.610 54 H ILE 7 HN ILE 7 1.321 -3.810 2.393 55 HA ILE 7 HA ILE 7 2.982 -5.982 3.215 56 HB ILE 7 HB ILE 7 0.590 -4.664 4.529 57 HG12 ILE 7 HG12 ILE 7 2.447 -3.810 6.093 58 HG13 ILE 7 HG11 ILE 7 3.569 -4.290 4.826 59 HG21 ILE 7 HG21 ILE 7 1.336 -5.780 6.586 60 HG22 ILE 7 HG22 ILE 7 2.541 -6.663 5.645 61 HG23 ILE 7 HG23 ILE 7 0.822 -6.915 5.338 62 HD11 ILE 7 HD11 ILE 7 2.508 -2.765 3.274 63 HD12 ILE 7 HD12 ILE 7 3.022 -1.911 4.733 64 HD13 ILE 7 HD13 ILE 7 1.321 -2.318 4.500 65 H HIS 8 HN HIS 8 -0.063 -5.589 1.672 66 HA HIS 8 HA HIS 8 -1.122 -8.104 2.663 67 HB2 HIS 8 HB2 HIS 8 -2.479 -5.953 2.338 68 HB3 HIS 8 HB1 HIS 8 -2.428 -6.321 0.613 69 HD1 HIS 8 HD1 HIS 8 -3.560 -7.990 3.851 70 HD2 HIS 8 HD2 HIS 8 -4.487 -7.891 -0.201 71 HE1 HIS 8 HE1 HIS 8 -5.640 -9.369 3.593 72 HE2 HIS 8 HE2 HIS 8 -6.324 -9.048 1.197 73 H CYS 9 HN CYS 9 -0.142 -6.734 -0.515 74 HA CYS 9 HA CYS 9 -0.314 -9.489 -1.522 75 HB2 CYS 9 HB2 CYS 9 -0.885 -8.653 -3.674 76 HB3 CYS 9 HB1 CYS 9 -1.938 -7.871 -2.510 77 H GLN 10 HN GLN 10 1.769 -7.004 -0.769 78 HA GLN 10 HA GLN 10 4.005 -6.794 -0.833 79 HB2 GLN 10 HB2 GLN 10 3.925 -9.565 -2.030 80 HB3 GLN 10 HB1 GLN 10 5.382 -8.751 -1.451 81 HG2 GLN 10 HG2 GLN 10 4.472 -8.664 0.793 82 HG3 GLN 10 HG1 GLN 10 2.973 -9.403 0.234 83 HE21 GLN 10 HE21 GLN 10 4.825 -10.294 2.267 84 HE22 GLN 10 HE22 GLN 10 5.376 -11.879 1.781 85 H ARG 11 HN ARG 11 3.621 -5.094 -2.347 86 HA ARG 11 HA ARG 11 5.112 -5.539 -4.805 87 HB2 ARG 11 HB2 ARG 11 2.300 -4.614 -4.585 88 HB3 ARG 11 HB1 ARG 11 3.334 -3.742 -5.714 89 HG2 ARG 11 HG2 ARG 11 2.925 -6.729 -5.713 90 HG3 ARG 11 HG1 ARG 11 2.090 -5.590 -6.777 91 HD2 ARG 11 HD2 ARG 11 3.947 -5.182 -8.027 92 HD3 ARG 11 HD1 ARG 11 5.046 -5.445 -6.676 93 HE ARG 11 HE ARG 11 3.733 -7.833 -7.606 94 HH11 ARG 11 HH11 ARG 11 6.474 -5.691 -7.983 95 HH12 ARG 11 HH12 ARG 11 7.495 -6.911 -8.692 96 HH21 ARG 11 HH21 ARG 11 5.072 -9.455 -8.535 97 HH22 ARG 11 HH22 ARG 11 6.694 -9.044 -9.011 98 H GLN 12 HN GLN 12 6.308 -3.699 -5.472 99 HA GLN 12 HA GLN 12 7.019 -2.021 -3.240 100 HB2 GLN 12 HB2 GLN 12 8.167 -1.698 -5.990 101 HB3 GLN 12 HB1 GLN 12 8.938 -1.467 -4.433 102 HG2 GLN 12 HG2 GLN 12 8.132 -4.108 -5.562 103 HG3 GLN 12 HG1 GLN 12 9.756 -3.439 -5.664 104 HE21 GLN 12 HE21 GLN 12 10.974 -3.239 -3.748 105 HE22 GLN 12 HE22 GLN 12 10.592 -4.197 -2.336 106 H PHE 13 HN PHE 13 6.661 0.068 -2.993 107 HA PHE 13 HA PHE 13 5.662 1.663 -5.243 108 HB2 PHE 13 HB2 PHE 13 4.411 1.469 -2.501 109 HB3 PHE 13 HB1 PHE 13 4.111 2.831 -3.586 110 HD1 PHE 13 HD1 PHE 13 2.912 2.486 -5.697 111 HD2 PHE 13 HD2 PHE 13 3.438 -0.660 -2.885 112 HE1 PHE 13 HE1 PHE 13 1.115 1.211 -6.789 113 HE2 PHE 13 HE2 PHE 13 1.646 -1.943 -3.970 114 HZ PHE 13 HZ PHE 13 0.554 -1.028 -6.016 115 H ALA 14 HN ALA 14 5.776 4.035 -4.734 116 HA ALA 14 HA ALA 14 8.513 4.456 -3.837 117 HB1 ALA 14 HB1 ALA 14 8.414 6.522 -5.061 118 HB2 ALA 14 HB2 ALA 14 6.673 6.344 -5.283 119 HB3 ALA 14 HB3 ALA 14 7.782 5.215 -6.064 120 H ASP 15 HN ASP 15 5.344 5.092 -2.676 121 HA ASP 15 HA ASP 15 6.441 6.887 -0.626 122 HB2 ASP 15 HB2 ASP 15 5.165 8.037 -2.692 123 HB3 ASP 15 HB1 ASP 15 3.775 7.580 -1.739 124 HA PRO 16 HA PRO 16 3.566 4.631 2.033 125 HB2 PRO 16 HB2 PRO 16 3.496 7.070 3.681 126 HB3 PRO 16 HB1 PRO 16 4.060 5.451 4.109 127 HG2 PRO 16 HG2 PRO 16 5.761 7.505 3.785 128 HG3 PRO 16 HG1 PRO 16 6.191 5.842 3.342 129 HD2 PRO 16 HD2 PRO 16 5.319 8.109 1.581 130 HD3 PRO 16 HD1 PRO 16 6.595 6.903 1.309 131 H GLY 17 HN GLY 17 3.213 7.835 0.773 132 HA2 GLY 17 HA2 GLY 17 0.505 8.347 1.135 133 HA3 GLY 17 HA1 GLY 17 1.473 8.857 -0.255 134 H ALA 18 HN ALA 18 2.122 6.468 -1.388 135 HA ALA 18 HA ALA 18 -0.357 5.805 -2.665 136 HB1 ALA 18 HB1 ALA 18 2.390 4.655 -3.065 137 HB2 ALA 18 HB2 ALA 18 1.638 5.938 -4.016 138 HB3 ALA 18 HB3 ALA 18 0.974 4.301 -4.050 139 H LEU 19 HN LEU 19 1.534 4.470 -0.090 140 HA LEU 19 HA LEU 19 0.475 1.838 -0.288 141 HB2 LEU 19 HB2 LEU 19 2.215 3.313 1.565 142 HB3 LEU 19 HB1 LEU 19 1.185 2.113 2.344 143 HG LEU 19 HG LEU 19 3.402 1.215 1.775 144 HD11 LEU 19 HD11 LEU 19 1.138 0.026 0.182 145 HD12 LEU 19 HD12 LEU 19 1.473 -0.271 1.887 146 HD13 LEU 19 HD13 LEU 19 2.617 -0.809 0.654 147 HD21 LEU 19 HD21 LEU 19 2.559 1.695 -1.078 148 HD22 LEU 19 HD22 LEU 19 4.012 0.847 -0.550 149 HD23 LEU 19 HD23 LEU 19 3.827 2.568 -0.217 150 H GLN 20 HN GLN 20 -0.384 4.816 1.323 151 HA GLN 20 HA GLN 20 -2.376 3.542 2.840 152 HB2 GLN 20 HB2 GLN 20 -2.952 5.654 3.732 153 HB3 GLN 20 HB1 GLN 20 -1.216 5.699 3.467 154 HG2 GLN 20 HG2 GLN 20 -1.631 6.882 1.331 155 HG3 GLN 20 HG1 GLN 20 -3.336 6.969 1.774 156 HE21 GLN 20 HE21 GLN 20 -3.967 8.274 3.506 157 HE22 GLN 20 HE22 GLN 20 -2.936 9.511 4.136 158 H ARG 21 HN ARG 21 -2.245 5.244 -0.110 159 HA ARG 21 HA ARG 21 -5.024 5.158 -0.722 160 HB2 ARG 21 HB2 ARG 21 -2.686 6.115 -1.987 161 HB3 ARG 21 HB1 ARG 21 -3.377 4.932 -3.089 162 HG2 ARG 21 HG2 ARG 21 -4.324 6.963 -3.733 163 HG3 ARG 21 HG1 ARG 21 -5.581 6.173 -2.777 164 HD2 ARG 21 HD2 ARG 21 -5.503 8.447 -2.083 165 HD3 ARG 21 HD1 ARG 21 -4.766 7.488 -0.799 166 HE ARG 21 HE ARG 21 -2.928 8.602 -2.744 167 HH11 ARG 21 HH11 ARG 21 -4.483 8.991 0.375 168 HH12 ARG 21 HH12 ARG 21 -3.331 10.176 0.935 169 HH21 ARG 21 HH21 ARG 21 -1.426 10.165 -2.014 170 HH22 ARG 21 HH22 ARG 21 -1.585 10.818 -0.409 171 H HIS 22 HN HIS 22 -2.352 2.970 -0.957 172 HA HIS 22 HA HIS 22 -3.508 1.088 -2.760 173 HB2 HIS 22 HB2 HIS 22 -1.057 1.385 -2.163 174 HB3 HIS 22 HB1 HIS 22 -1.402 0.487 -0.700 175 HD1 HIS 22 HD1 HIS 22 -1.528 0.008 -4.482 176 HD2 HIS 22 HD2 HIS 22 -1.327 -2.156 -0.938 177 HE1 HIS 22 HE1 HIS 22 -1.183 -2.406 -5.142 178 H VAL 23 HN VAL 23 -3.181 1.193 0.775 179 HA VAL 23 HA VAL 23 -4.214 -1.390 1.079 180 HB VAL 23 HB VAL 23 -4.148 0.809 3.160 181 HG11 VAL 23 HG11 VAL 23 -4.453 -2.180 3.485 182 HG12 VAL 23 HG12 VAL 23 -5.727 -0.983 3.728 183 HG13 VAL 23 HG13 VAL 23 -4.322 -1.004 4.794 184 HG21 VAL 23 HG21 VAL 23 -1.928 0.249 2.258 185 HG22 VAL 23 HG22 VAL 23 -2.206 -1.451 2.645 186 HG23 VAL 23 HG23 VAL 23 -2.097 -0.256 3.939 187 H ARG 24 HN ARG 24 -5.664 1.806 1.007 188 HA ARG 24 HA ARG 24 -8.308 1.184 1.605 189 HB2 ARG 24 HB2 ARG 24 -7.043 3.181 -0.255 190 HB3 ARG 24 HB1 ARG 24 -8.782 3.120 0.010 191 HG2 ARG 24 HG2 ARG 24 -6.883 3.334 2.307 192 HG3 ARG 24 HG1 ARG 24 -7.370 4.753 1.392 193 HD2 ARG 24 HD2 ARG 24 -9.075 2.884 3.012 194 HD3 ARG 24 HD1 ARG 24 -8.889 4.629 3.194 195 HE ARG 24 HE ARG 24 -9.935 4.414 0.724 196 HH11 ARG 24 HH11 ARG 24 -10.933 3.177 3.845 197 HH12 ARG 24 HH12 ARG 24 -12.604 2.986 3.368 198 HH21 ARG 24 HH21 ARG 24 -12.094 4.181 0.105 199 HH22 ARG 24 HH22 ARG 24 -13.259 3.530 1.233 200 H ILE 25 HN ILE 25 -6.425 0.567 -1.281 201 HA ILE 25 HA ILE 25 -8.542 0.011 -3.055 202 HB ILE 25 HB ILE 25 -5.667 -0.909 -3.012 203 HG12 ILE 25 HG12 ILE 25 -7.110 1.077 -4.770 204 HG13 ILE 25 HG11 ILE 25 -6.107 1.485 -3.392 205 HG21 ILE 25 HG21 ILE 25 -6.013 -1.593 -5.347 206 HG22 ILE 25 HG22 ILE 25 -7.745 -1.353 -5.129 207 HG23 ILE 25 HG23 ILE 25 -6.898 -2.586 -4.191 208 HD11 ILE 25 HD11 ILE 25 -4.165 0.528 -4.499 209 HD12 ILE 25 HD12 ILE 25 -4.909 1.792 -5.478 210 HD13 ILE 25 HD13 ILE 25 -5.169 0.094 -5.881 211 H HIS 26 HN HIS 26 -6.479 -2.175 -1.123 212 HA HIS 26 HA HIS 26 -7.891 -4.532 -1.758 213 HB2 HIS 26 HB2 HIS 26 -6.180 -3.805 0.613 214 HB3 HIS 26 HB1 HIS 26 -6.926 -5.386 0.451 215 HD1 HIS 26 HD1 HIS 26 -6.275 -6.195 -2.399 216 HD2 HIS 26 HD2 HIS 26 -3.621 -4.138 0.069 217 HE1 HIS 26 HE1 HIS 26 -3.930 -6.727 -3.251 218 H THR 27 HN THR 27 -8.191 -2.276 0.954 219 HA THR 27 HA THR 27 -10.377 -3.794 2.106 220 HB THR 27 HB THR 27 -9.482 -1.085 3.064 221 HG1 THR 27 HG1 THR 27 -7.533 -2.046 3.052 222 HG21 THR 27 HG21 THR 27 -10.449 -3.574 4.483 223 HG22 THR 27 HG22 THR 27 -11.413 -2.134 4.156 224 HG23 THR 27 HG23 THR 27 -10.037 -2.042 5.256 225 H GLY 28 HN GLY 28 -11.166 -3.086 -0.348 226 HA2 GLY 28 HA2 GLY 28 -12.507 -0.539 -0.403 227 HA3 GLY 28 HA1 GLY 28 -12.591 -1.791 -1.628 228 H GLU 29 HN GLU 29 -13.356 -2.206 1.782 229 HA GLU 29 HA GLU 29 -16.006 -3.147 1.122 230 HB2 GLU 29 HB2 GLU 29 -14.731 -2.684 3.828 231 HB3 GLU 29 HB1 GLU 29 -16.211 -3.584 3.522 232 HG2 GLU 29 HG2 GLU 29 -14.984 -5.269 2.307 233 HG3 GLU 29 HG1 GLU 29 -13.493 -4.343 2.475 234 H LYS 30 HN LYS 30 -14.477 -0.346 2.530 235 HA LYS 30 HA LYS 30 -16.719 1.290 1.827 236 HB2 LYS 30 HB2 LYS 30 -17.353 0.454 4.104 237 HB3 LYS 30 HB1 LYS 30 -15.892 1.201 4.738 238 HG2 LYS 30 HG2 LYS 30 -16.720 3.391 3.914 239 HG3 LYS 30 HG1 LYS 30 -18.224 2.597 3.447 240 HD2 LYS 30 HD2 LYS 30 -18.582 1.932 5.787 241 HD3 LYS 30 HD1 LYS 30 -17.091 2.761 6.238 242 HE2 LYS 30 HE2 LYS 30 -19.551 4.025 5.039 243 HE3 LYS 30 HE1 LYS 30 -19.020 4.159 6.714 244 HZ1 LYS 30 HZ1 LYS 30 -18.442 6.102 5.325 245 HZ2 LYS 30 HZ2 LYS 30 -17.434 5.113 4.387 246 HZ3 LYS 30 HZ3 LYS 30 -17.089 5.361 6.029 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 17.115 6.299 3.382 2 H2 MET 1 HT2 MET 1 17.082 5.794 1.762 3 H3 MET 1 HT3 MET 1 17.489 4.696 2.990 4 HA MET 1 HA MET 1 15.294 4.828 3.913 5 HB2 MET 1 HB2 MET 1 14.879 6.774 1.645 6 HB3 MET 1 HB1 MET 1 13.536 5.939 2.408 7 HG2 MET 1 HG2 MET 1 13.708 8.090 3.390 8 HG3 MET 1 HG1 MET 1 14.253 6.913 4.585 9 HE1 MET 1 HE1 MET 1 14.802 10.038 4.843 10 HE2 MET 1 HE2 MET 1 16.476 10.016 5.392 11 HE3 MET 1 HE3 MET 1 15.326 8.835 6.023 12 H LYS 2 HN LYS 2 13.900 3.206 3.358 13 HA LYS 2 HA LYS 2 14.449 1.887 0.786 14 HB2 LYS 2 HB2 LYS 2 13.607 -0.174 1.867 15 HB3 LYS 2 HB1 LYS 2 15.008 0.488 2.695 16 HG2 LYS 2 HG2 LYS 2 13.549 1.454 4.399 17 HG3 LYS 2 HG1 LYS 2 12.140 0.789 3.567 18 HD2 LYS 2 HD2 LYS 2 13.110 -1.481 3.874 19 HD3 LYS 2 HD1 LYS 2 14.403 -0.756 4.832 20 HE2 LYS 2 HE2 LYS 2 12.704 -1.637 6.305 21 HE3 LYS 2 HE1 LYS 2 12.703 0.123 6.395 22 HZ1 LYS 2 HZ1 LYS 2 10.823 -1.482 4.744 23 HZ2 LYS 2 HZ2 LYS 2 10.781 0.198 4.973 24 HZ3 LYS 2 HZ3 LYS 2 10.458 -0.844 6.273 25 HA PRO 3 HA PRO 3 10.449 2.974 -0.718 26 HB2 PRO 3 HB2 PRO 3 10.482 0.188 -1.782 27 HB3 PRO 3 HB1 PRO 3 10.112 1.712 -2.612 28 HG2 PRO 3 HG2 PRO 3 12.439 0.578 -2.986 29 HG3 PRO 3 HG1 PRO 3 12.340 2.327 -2.729 30 HD2 PRO 3 HD2 PRO 3 13.169 0.179 -0.804 31 HD3 PRO 3 HD1 PRO 3 13.882 1.787 -1.065 32 H TYR 4 HN TYR 4 8.278 2.174 -0.860 33 HA TYR 4 HA TYR 4 7.615 0.833 1.664 34 HB2 TYR 4 HB2 TYR 4 6.024 2.873 0.071 35 HB3 TYR 4 HB1 TYR 4 5.475 2.074 1.548 36 HD1 TYR 4 HD1 TYR 4 7.964 4.424 0.181 37 HD2 TYR 4 HD2 TYR 4 6.220 2.783 3.698 38 HE1 TYR 4 HE1 TYR 4 9.039 6.178 1.527 39 HE2 TYR 4 HE2 TYR 4 7.295 4.529 5.054 40 HH TYR 4 HH TYR 4 9.215 6.051 4.921 41 H VAL 5 HN VAL 5 6.583 -1.031 1.594 42 HA VAL 5 HA VAL 5 5.755 -1.984 -1.055 43 HB VAL 5 HB VAL 5 6.342 -4.215 -0.330 44 HG11 VAL 5 HG11 VAL 5 8.585 -2.311 0.302 45 HG12 VAL 5 HG12 VAL 5 8.081 -2.779 -1.322 46 HG13 VAL 5 HG13 VAL 5 8.746 -3.989 -0.222 47 HG21 VAL 5 HG21 VAL 5 5.815 -4.107 2.021 48 HG22 VAL 5 HG22 VAL 5 7.097 -2.929 2.288 49 HG23 VAL 5 HG23 VAL 5 7.502 -4.584 1.834 50 H CYS 6 HN CYS 6 3.900 -3.234 -1.240 51 HA CYS 6 HA CYS 6 1.838 -2.754 0.695 52 HB2 CYS 6 HB2 CYS 6 1.406 -2.898 -1.760 53 HB3 CYS 6 HB1 CYS 6 1.787 -4.612 -1.694 54 H ILE 7 HN ILE 7 1.674 -3.875 2.506 55 HA ILE 7 HA ILE 7 3.014 -6.321 2.988 56 HB ILE 7 HB ILE 7 0.874 -4.832 4.531 57 HG12 ILE 7 HG12 ILE 7 2.853 -4.470 6.116 58 HG13 ILE 7 HG11 ILE 7 3.871 -5.040 4.799 59 HG21 ILE 7 HG21 ILE 7 0.722 -7.181 5.075 60 HG22 ILE 7 HG22 ILE 7 1.392 -6.275 6.433 61 HG23 ILE 7 HG23 ILE 7 2.452 -7.236 5.403 62 HD11 ILE 7 HD11 ILE 7 3.784 -2.605 4.911 63 HD12 ILE 7 HD12 ILE 7 2.037 -2.661 4.673 64 HD13 ILE 7 HD13 ILE 7 3.119 -3.219 3.396 65 H HIS 8 HN HIS 8 0.011 -5.456 1.622 66 HA HIS 8 HA HIS 8 -1.422 -7.801 2.477 67 HB2 HIS 8 HB2 HIS 8 -2.223 -5.314 1.860 68 HB3 HIS 8 HB1 HIS 8 -2.508 -6.106 0.307 69 HD1 HIS 8 HD1 HIS 8 -4.430 -7.830 0.191 70 HD2 HIS 8 HD2 HIS 8 -3.875 -6.138 3.952 71 HE1 HIS 8 HE1 HIS 8 -6.491 -8.403 1.512 72 HE2 HIS 8 HE2 HIS 8 -6.219 -7.193 3.704 73 H CYS 9 HN CYS 9 0.047 -6.675 -0.596 74 HA CYS 9 HA CYS 9 -0.471 -9.380 -1.617 75 HB2 CYS 9 HB2 CYS 9 -0.994 -8.526 -3.768 76 HB3 CYS 9 HB1 CYS 9 -1.964 -7.632 -2.613 77 H GLN 10 HN GLN 10 1.825 -7.138 -0.828 78 HA GLN 10 HA GLN 10 4.073 -7.144 -0.887 79 HB2 GLN 10 HB2 GLN 10 3.760 -9.777 -2.331 80 HB3 GLN 10 HB1 GLN 10 5.281 -9.135 -1.705 81 HG2 GLN 10 HG2 GLN 10 2.851 -9.790 -0.049 82 HG3 GLN 10 HG1 GLN 10 4.272 -10.816 -0.225 83 HE21 GLN 10 HE21 GLN 10 3.081 -9.566 2.152 84 HE22 GLN 10 HE22 GLN 10 4.355 -8.621 2.868 85 H ARG 11 HN ARG 11 3.427 -5.328 -2.390 86 HA ARG 11 HA ARG 11 5.040 -5.604 -4.805 87 HB2 ARG 11 HB2 ARG 11 2.316 -4.365 -4.515 88 HB3 ARG 11 HB1 ARG 11 3.424 -3.859 -5.783 89 HG2 ARG 11 HG2 ARG 11 3.485 -6.142 -6.647 90 HG3 ARG 11 HG1 ARG 11 2.383 -6.653 -5.366 91 HD2 ARG 11 HD2 ARG 11 0.665 -5.169 -6.222 92 HD3 ARG 11 HD1 ARG 11 1.769 -4.569 -7.458 93 HE ARG 11 HE ARG 11 1.400 -7.417 -7.572 94 HH11 ARG 11 HH11 ARG 11 0.135 -4.307 -8.566 95 HH12 ARG 11 HH12 ARG 11 -0.789 -4.948 -9.894 96 HH21 ARG 11 HH21 ARG 11 0.221 -8.272 -9.357 97 HH22 ARG 11 HH22 ARG 11 -0.714 -7.196 -10.354 98 H GLN 12 HN GLN 12 6.473 -3.955 -5.109 99 HA GLN 12 HA GLN 12 6.834 -2.149 -2.881 100 HB2 GLN 12 HB2 GLN 12 8.473 -2.497 -5.392 101 HB3 GLN 12 HB1 GLN 12 8.944 -1.589 -3.971 102 HG2 GLN 12 HG2 GLN 12 8.877 -3.686 -2.660 103 HG3 GLN 12 HG1 GLN 12 8.528 -4.558 -4.149 104 HE21 GLN 12 HE21 GLN 12 10.396 -5.779 -3.981 105 HE22 GLN 12 HE22 GLN 12 11.967 -5.102 -4.329 106 H PHE 13 HN PHE 13 6.408 -0.041 -2.824 107 HA PHE 13 HA PHE 13 5.997 1.393 -5.359 108 HB2 PHE 13 HB2 PHE 13 4.345 1.703 -2.830 109 HB3 PHE 13 HB1 PHE 13 4.278 2.802 -4.212 110 HD1 PHE 13 HD1 PHE 13 3.236 2.129 -6.288 111 HD2 PHE 13 HD2 PHE 13 3.422 -0.520 -2.962 112 HE1 PHE 13 HE1 PHE 13 1.532 0.695 -7.335 113 HE2 PHE 13 HE2 PHE 13 1.719 -1.952 -4.002 114 HZ PHE 13 HZ PHE 13 0.827 -1.360 -6.258 115 H ALA 14 HN ALA 14 5.915 3.904 -4.725 116 HA ALA 14 HA ALA 14 8.603 4.340 -3.646 117 HB1 ALA 14 HB1 ALA 14 8.611 6.373 -4.866 118 HB2 ALA 14 HB2 ALA 14 6.865 6.307 -5.112 119 HB3 ALA 14 HB3 ALA 14 7.923 5.146 -5.932 120 H ASP 15 HN ASP 15 5.280 5.335 -3.164 121 HA ASP 15 HA ASP 15 6.184 7.325 -1.194 122 HB2 ASP 15 HB2 ASP 15 3.663 7.304 -2.864 123 HB3 ASP 15 HB1 ASP 15 4.111 8.536 -1.703 124 HA PRO 16 HA PRO 16 3.887 5.142 1.950 125 HB2 PRO 16 HB2 PRO 16 3.705 7.763 3.269 126 HB3 PRO 16 HB1 PRO 16 4.483 6.282 3.834 127 HG2 PRO 16 HG2 PRO 16 5.887 8.446 3.042 128 HG3 PRO 16 HG1 PRO 16 6.483 6.791 2.826 129 HD2 PRO 16 HD2 PRO 16 5.278 8.656 0.829 130 HD3 PRO 16 HD1 PRO 16 6.597 7.474 0.629 131 H GLY 17 HN GLY 17 2.977 8.258 0.610 132 HA2 GLY 17 HA2 GLY 17 0.280 8.299 1.404 133 HA3 GLY 17 HA1 GLY 17 0.965 9.152 0.025 134 H ALA 18 HN ALA 18 1.924 6.668 -1.213 135 HA ALA 18 HA ALA 18 -0.543 6.013 -2.547 136 HB1 ALA 18 HB1 ALA 18 2.244 4.988 -3.030 137 HB2 ALA 18 HB2 ALA 18 1.447 6.304 -3.898 138 HB3 ALA 18 HB3 ALA 18 0.832 4.653 -4.032 139 H LEU 19 HN LEU 19 1.604 4.496 -0.219 140 HA LEU 19 HA LEU 19 0.514 1.899 -0.539 141 HB2 LEU 19 HB2 LEU 19 2.397 3.218 1.291 142 HB3 LEU 19 HB1 LEU 19 1.446 1.934 2.030 143 HG LEU 19 HG LEU 19 3.537 1.030 1.252 144 HD11 LEU 19 HD11 LEU 19 1.569 -0.392 1.061 145 HD12 LEU 19 HD12 LEU 19 2.712 -0.721 -0.241 146 HD13 LEU 19 HD13 LEU 19 1.264 0.233 -0.560 147 HD21 LEU 19 HD21 LEU 19 3.954 2.767 -0.464 148 HD22 LEU 19 HD22 LEU 19 2.766 1.973 -1.501 149 HD23 LEU 19 HD23 LEU 19 4.243 1.124 -1.033 150 H GLN 20 HN GLN 20 -0.291 4.739 1.308 151 HA GLN 20 HA GLN 20 -2.074 3.307 2.929 152 HB2 GLN 20 HB2 GLN 20 -2.753 5.397 3.899 153 HB3 GLN 20 HB1 GLN 20 -1.017 5.411 3.671 154 HG2 GLN 20 HG2 GLN 20 -1.282 6.745 1.651 155 HG3 GLN 20 HG1 GLN 20 -3.027 6.761 1.904 156 HE21 GLN 20 HE21 GLN 20 -3.053 9.013 2.054 157 HE22 GLN 20 HE22 GLN 20 -2.480 9.835 3.472 158 H ARG 21 HN ARG 21 -2.298 5.171 0.096 159 HA ARG 21 HA ARG 21 -5.126 4.982 -0.226 160 HB2 ARG 21 HB2 ARG 21 -3.274 6.444 -1.472 161 HB3 ARG 21 HB1 ARG 21 -3.342 5.107 -2.608 162 HG2 ARG 21 HG2 ARG 21 -4.848 6.846 -3.321 163 HG3 ARG 21 HG1 ARG 21 -5.773 5.427 -2.819 164 HD2 ARG 21 HD2 ARG 21 -5.863 6.591 -0.517 165 HD3 ARG 21 HD1 ARG 21 -5.421 8.045 -1.410 166 HE ARG 21 HE ARG 21 -7.858 6.457 -1.913 167 HH11 ARG 21 HH11 ARG 21 -6.124 9.498 -1.906 168 HH12 ARG 21 HH12 ARG 21 -7.540 10.449 -2.257 169 HH21 ARG 21 HH21 ARG 21 -9.712 7.691 -2.357 170 HH22 ARG 21 HH22 ARG 21 -9.589 9.417 -2.503 171 H HIS 22 HN HIS 22 -2.367 3.048 -0.954 172 HA HIS 22 HA HIS 22 -3.540 1.240 -2.802 173 HB2 HIS 22 HB2 HIS 22 -1.081 1.558 -2.308 174 HB3 HIS 22 HB1 HIS 22 -1.324 0.594 -0.867 175 HD1 HIS 22 HD1 HIS 22 -1.557 0.265 -4.655 176 HD2 HIS 22 HD2 HIS 22 -1.254 -2.041 -1.211 177 HE1 HIS 22 HE1 HIS 22 -1.197 -2.115 -5.424 178 H VAL 23 HN VAL 23 -3.009 1.071 0.690 179 HA VAL 23 HA VAL 23 -3.967 -1.535 0.890 180 HB VAL 23 HB VAL 23 -3.791 0.585 3.040 181 HG11 VAL 23 HG11 VAL 23 -5.404 -1.131 3.692 182 HG12 VAL 23 HG12 VAL 23 -3.931 -1.259 4.652 183 HG13 VAL 23 HG13 VAL 23 -4.223 -2.390 3.329 184 HG21 VAL 23 HG21 VAL 23 -1.646 -0.012 2.043 185 HG22 VAL 23 HG22 VAL 23 -1.974 -1.723 2.340 186 HG23 VAL 23 HG23 VAL 23 -1.755 -0.616 3.697 187 H ARG 24 HN ARG 24 -5.549 1.614 1.107 188 HA ARG 24 HA ARG 24 -8.118 0.741 1.798 189 HB2 ARG 24 HB2 ARG 24 -7.066 3.100 0.266 190 HB3 ARG 24 HB1 ARG 24 -8.791 2.874 0.546 191 HG2 ARG 24 HG2 ARG 24 -6.865 2.767 2.820 192 HG3 ARG 24 HG1 ARG 24 -7.425 4.309 2.185 193 HD2 ARG 24 HD2 ARG 24 -9.739 3.648 2.570 194 HD3 ARG 24 HD1 ARG 24 -9.204 2.063 3.121 195 HE ARG 24 HE ARG 24 -8.473 4.529 4.565 196 HH11 ARG 24 HH11 ARG 24 -9.834 1.313 4.469 197 HH12 ARG 24 HH12 ARG 24 -10.086 1.208 6.184 198 HH21 ARG 24 HH21 ARG 24 -8.802 4.412 6.843 199 HH22 ARG 24 HH22 ARG 24 -9.496 2.982 7.534 200 H ILE 25 HN ILE 25 -6.404 0.575 -1.236 201 HA ILE 25 HA ILE 25 -8.609 0.138 -2.938 202 HB ILE 25 HB ILE 25 -5.721 -0.725 -3.149 203 HG12 ILE 25 HG12 ILE 25 -7.285 1.387 -4.637 204 HG13 ILE 25 HG11 ILE 25 -6.235 1.696 -3.269 205 HG21 ILE 25 HG21 ILE 25 -7.052 -2.291 -4.404 206 HG22 ILE 25 HG22 ILE 25 -6.183 -1.213 -5.499 207 HG23 ILE 25 HG23 ILE 25 -7.902 -0.960 -5.196 208 HD11 ILE 25 HD11 ILE 25 -5.152 2.218 -5.386 209 HD12 ILE 25 HD12 ILE 25 -5.362 0.542 -5.899 210 HD13 ILE 25 HD13 ILE 25 -4.316 0.924 -4.530 211 H HIS 26 HN HIS 26 -6.494 -2.076 -1.135 212 HA HIS 26 HA HIS 26 -7.947 -4.428 -1.854 213 HB2 HIS 26 HB2 HIS 26 -6.075 -3.872 0.454 214 HB3 HIS 26 HB1 HIS 26 -6.792 -5.445 0.143 215 HD1 HIS 26 HD1 HIS 26 -6.244 -5.951 -2.777 216 HD2 HIS 26 HD2 HIS 26 -3.543 -4.055 -0.228 217 HE1 HIS 26 HE1 HIS 26 -3.914 -6.350 -3.746 218 H THR 27 HN THR 27 -7.870 -2.369 1.025 219 HA THR 27 HA THR 27 -9.961 -3.878 2.328 220 HB THR 27 HB THR 27 -8.845 -1.270 3.328 221 HG1 THR 27 HG1 THR 27 -6.944 -2.220 3.147 222 HG21 THR 27 HG21 THR 27 -9.185 -2.305 5.505 223 HG22 THR 27 HG22 THR 27 -9.683 -3.811 4.735 224 HG23 THR 27 HG23 THR 27 -10.679 -2.365 4.569 225 H GLY 28 HN GLY 28 -11.057 -2.989 0.063 226 HA2 GLY 28 HA2 GLY 28 -12.411 -0.461 0.439 227 HA3 GLY 28 HA1 GLY 28 -12.672 -1.604 -0.872 228 H GLU 29 HN GLU 29 -13.114 -1.428 2.654 229 HA GLU 29 HA GLU 29 -15.238 -3.308 2.703 230 HB2 GLU 29 HB2 GLU 29 -14.550 -1.193 4.744 231 HB3 GLU 29 HB1 GLU 29 -15.516 -2.634 5.022 232 HG2 GLU 29 HG2 GLU 29 -13.571 -4.038 4.618 233 HG3 GLU 29 HG1 GLU 29 -12.597 -2.605 4.281 234 H LYS 30 HN LYS 30 -15.235 0.172 3.342 235 HA LYS 30 HA LYS 30 -17.881 0.377 2.088 236 HB2 LYS 30 HB2 LYS 30 -17.099 1.520 4.775 237 HB3 LYS 30 HB1 LYS 30 -18.526 2.021 3.881 238 HG2 LYS 30 HG2 LYS 30 -17.967 -0.756 4.901 239 HG3 LYS 30 HG1 LYS 30 -19.086 0.409 5.610 240 HD2 LYS 30 HD2 LYS 30 -20.417 0.381 3.564 241 HD3 LYS 30 HD1 LYS 30 -19.287 -0.765 2.838 242 HE2 LYS 30 HE2 LYS 30 -19.818 -2.376 4.617 243 HE3 LYS 30 HE1 LYS 30 -20.980 -1.234 5.288 244 HZ1 LYS 30 HZ1 LYS 30 -21.116 -2.474 2.591 245 HZ2 LYS 30 HZ2 LYS 30 -22.227 -1.356 3.212 246 HZ3 LYS 30 HZ3 LYS 30 -22.072 -2.885 3.926 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 15.645 4.934 0.681 2 H2 MET 1 HT2 MET 1 15.398 4.796 -0.993 3 H3 MET 1 HT3 MET 1 16.720 5.679 -0.399 4 HA MET 1 HA MET 1 17.376 3.516 -1.253 5 HB2 MET 1 HB2 MET 1 18.719 2.849 0.670 6 HB3 MET 1 HB1 MET 1 18.682 4.601 0.524 7 HG2 MET 1 HG2 MET 1 17.041 4.740 2.305 8 HG3 MET 1 HG1 MET 1 16.999 2.982 2.423 9 HE1 MET 1 HE1 MET 1 20.701 5.531 3.482 10 HE2 MET 1 HE2 MET 1 19.165 6.224 2.964 11 HE3 MET 1 HE3 MET 1 20.135 5.284 1.830 12 H LYS 2 HN LYS 2 14.507 3.490 0.491 13 HA LYS 2 HA LYS 2 14.194 0.651 0.094 14 HB2 LYS 2 HB2 LYS 2 15.341 1.107 2.408 15 HB3 LYS 2 HB1 LYS 2 13.733 1.612 2.906 16 HG2 LYS 2 HG2 LYS 2 14.311 -1.081 1.699 17 HG3 LYS 2 HG1 LYS 2 14.360 -0.765 3.432 18 HD2 LYS 2 HD2 LYS 2 11.959 -0.346 1.650 19 HD3 LYS 2 HD1 LYS 2 12.218 -1.742 2.700 20 HE2 LYS 2 HE2 LYS 2 12.214 -0.299 4.654 21 HE3 LYS 2 HE1 LYS 2 12.036 1.124 3.626 22 HZ1 LYS 2 HZ1 LYS 2 10.069 -1.087 3.903 23 HZ2 LYS 2 HZ2 LYS 2 9.900 0.256 2.881 24 HZ3 LYS 2 HZ3 LYS 2 9.921 0.468 4.566 25 HA PRO 3 HA PRO 3 10.397 2.914 -0.941 26 HB2 PRO 3 HB2 PRO 3 9.798 0.189 -1.972 27 HB3 PRO 3 HB1 PRO 3 9.626 1.765 -2.766 28 HG2 PRO 3 HG2 PRO 3 11.616 0.180 -3.443 29 HG3 PRO 3 HG1 PRO 3 11.890 1.920 -3.220 30 HD2 PRO 3 HD2 PRO 3 12.520 -0.342 -1.350 31 HD3 PRO 3 HD1 PRO 3 13.523 1.058 -1.792 32 H TYR 4 HN TYR 4 8.088 2.243 -0.864 33 HA TYR 4 HA TYR 4 7.548 0.909 1.696 34 HB2 TYR 4 HB2 TYR 4 5.933 2.944 0.117 35 HB3 TYR 4 HB1 TYR 4 5.343 2.113 1.561 36 HD1 TYR 4 HD1 TYR 4 7.740 4.588 0.292 37 HD2 TYR 4 HD2 TYR 4 6.156 2.699 3.759 38 HE1 TYR 4 HE1 TYR 4 8.781 6.315 1.700 39 HE2 TYR 4 HE2 TYR 4 7.194 4.418 5.176 40 HH TYR 4 HH TYR 4 8.423 7.306 3.967 41 H VAL 5 HN VAL 5 6.600 -1.024 1.640 42 HA VAL 5 HA VAL 5 5.643 -1.940 -0.974 43 HB VAL 5 HB VAL 5 6.339 -4.154 -0.387 44 HG11 VAL 5 HG11 VAL 5 8.008 -2.693 -1.376 45 HG12 VAL 5 HG12 VAL 5 8.756 -3.844 -0.270 46 HG13 VAL 5 HG13 VAL 5 8.515 -2.171 0.231 47 HG21 VAL 5 HG21 VAL 5 5.864 -4.124 2.004 48 HG22 VAL 5 HG22 VAL 5 7.222 -3.028 2.267 49 HG23 VAL 5 HG23 VAL 5 7.512 -4.672 1.697 50 H CYS 6 HN CYS 6 3.871 -3.316 -1.092 51 HA CYS 6 HA CYS 6 1.845 -2.866 0.892 52 HB2 CYS 6 HB2 CYS 6 1.326 -3.019 -1.543 53 HB3 CYS 6 HB1 CYS 6 1.770 -4.722 -1.496 54 H ILE 7 HN ILE 7 1.281 -4.144 2.496 55 HA ILE 7 HA ILE 7 2.908 -6.405 3.134 56 HB ILE 7 HB ILE 7 0.542 -5.150 4.551 57 HG12 ILE 7 HG12 ILE 7 2.429 -4.476 6.181 58 HG13 ILE 7 HG11 ILE 7 3.527 -4.847 4.860 59 HG21 ILE 7 HG21 ILE 7 0.734 -7.469 5.171 60 HG22 ILE 7 HG22 ILE 7 1.257 -6.447 6.510 61 HG23 ILE 7 HG23 ILE 7 2.452 -7.269 5.506 62 HD11 ILE 7 HD11 ILE 7 2.450 -3.164 3.479 63 HD12 ILE 7 HD12 ILE 7 3.032 -2.469 4.993 64 HD13 ILE 7 HD13 ILE 7 1.315 -2.811 4.781 65 H HIS 8 HN HIS 8 -0.122 -5.835 1.597 66 HA HIS 8 HA HIS 8 -1.176 -8.430 2.385 67 HB2 HIS 8 HB2 HIS 8 -2.446 -6.091 2.114 68 HB3 HIS 8 HB1 HIS 8 -2.696 -6.733 0.487 69 HD1 HIS 8 HD1 HIS 8 -4.430 -8.577 0.211 70 HD2 HIS 8 HD2 HIS 8 -3.631 -7.658 4.193 71 HE1 HIS 8 HE1 HIS 8 -6.164 -9.802 1.558 72 HE2 HIS 8 HE2 HIS 8 -5.759 -9.104 3.944 73 H CYS 9 HN CYS 9 -0.007 -6.835 -0.590 74 HA CYS 9 HA CYS 9 -0.357 -9.448 -1.880 75 HB2 CYS 9 HB2 CYS 9 -0.976 -8.406 -3.908 76 HB3 CYS 9 HB1 CYS 9 -1.955 -7.680 -2.645 77 H GLN 10 HN GLN 10 1.877 -7.286 -0.833 78 HA GLN 10 HA GLN 10 4.138 -7.256 -0.947 79 HB2 GLN 10 HB2 GLN 10 3.816 -9.651 -2.765 80 HB3 GLN 10 HB1 GLN 10 5.324 -9.117 -2.018 81 HG2 GLN 10 HG2 GLN 10 4.501 -9.641 0.167 82 HG3 GLN 10 HG1 GLN 10 2.887 -9.969 -0.466 83 HE21 GLN 10 HE21 GLN 10 4.653 -11.699 1.067 84 HE22 GLN 10 HE22 GLN 10 4.909 -13.116 0.077 85 H ARG 11 HN ARG 11 3.253 -5.292 -2.358 86 HA ARG 11 HA ARG 11 4.780 -5.388 -4.863 87 HB2 ARG 11 HB2 ARG 11 2.332 -3.742 -4.225 88 HB3 ARG 11 HB1 ARG 11 3.299 -3.584 -5.684 89 HG2 ARG 11 HG2 ARG 11 1.778 -6.043 -4.853 90 HG3 ARG 11 HG1 ARG 11 1.270 -4.877 -6.077 91 HD2 ARG 11 HD2 ARG 11 3.329 -5.395 -7.354 92 HD3 ARG 11 HD1 ARG 11 3.719 -6.634 -6.162 93 HE ARG 11 HE ARG 11 1.155 -7.188 -7.058 94 HH11 ARG 11 HH11 ARG 11 4.356 -6.971 -8.451 95 HH12 ARG 11 HH12 ARG 11 4.047 -8.151 -9.688 96 HH21 ARG 11 HH21 ARG 11 0.724 -8.726 -8.678 97 HH22 ARG 11 HH22 ARG 11 1.953 -9.131 -9.844 98 H GLN 12 HN GLN 12 5.942 -3.421 -5.375 99 HA GLN 12 HA GLN 12 6.723 -2.020 -2.913 100 HB2 GLN 12 HB2 GLN 12 8.329 -2.525 -5.419 101 HB3 GLN 12 HB1 GLN 12 8.907 -1.757 -3.956 102 HG2 GLN 12 HG2 GLN 12 8.513 -3.842 -2.719 103 HG3 GLN 12 HG1 GLN 12 7.993 -4.605 -4.220 104 HE21 GLN 12 HE21 GLN 12 9.595 -6.147 -4.148 105 HE22 GLN 12 HE22 GLN 12 11.275 -5.768 -4.442 106 H PHE 13 HN PHE 13 6.296 0.081 -2.789 107 HA PHE 13 HA PHE 13 6.083 1.635 -5.284 108 HB2 PHE 13 HB2 PHE 13 4.274 1.871 -2.862 109 HB3 PHE 13 HB1 PHE 13 4.260 2.956 -4.257 110 HD1 PHE 13 HD1 PHE 13 3.441 2.203 -6.415 111 HD2 PHE 13 HD2 PHE 13 3.347 -0.335 -3.006 112 HE1 PHE 13 HE1 PHE 13 1.839 0.731 -7.557 113 HE2 PHE 13 HE2 PHE 13 1.744 -1.813 -4.142 114 HZ PHE 13 HZ PHE 13 1.091 -1.348 -6.476 115 H ALA 14 HN ALA 14 6.458 3.902 -5.058 116 HA ALA 14 HA ALA 14 8.820 4.392 -3.526 117 HB1 ALA 14 HB1 ALA 14 8.952 6.436 -4.683 118 HB2 ALA 14 HB2 ALA 14 7.215 6.453 -5.003 119 HB3 ALA 14 HB3 ALA 14 8.259 5.289 -5.833 120 H ASP 15 HN ASP 15 5.465 5.381 -3.240 121 HA ASP 15 HA ASP 15 6.246 7.348 -1.205 122 HB2 ASP 15 HB2 ASP 15 3.825 7.301 -3.018 123 HB3 ASP 15 HB1 ASP 15 4.127 8.495 -1.774 124 HA PRO 16 HA PRO 16 3.907 5.034 1.797 125 HB2 PRO 16 HB2 PRO 16 3.592 7.098 3.568 126 HB3 PRO 16 HB1 PRO 16 5.064 6.128 3.448 127 HG2 PRO 16 HG2 PRO 16 4.475 8.829 2.312 128 HG3 PRO 16 HG1 PRO 16 5.962 8.228 3.071 129 HD2 PRO 16 HD2 PRO 16 5.692 8.443 0.392 130 HD3 PRO 16 HD1 PRO 16 6.663 7.160 1.153 131 H GLY 17 HN GLY 17 3.037 8.194 0.540 132 HA2 GLY 17 HA2 GLY 17 0.340 8.301 1.257 133 HA3 GLY 17 HA1 GLY 17 1.044 9.049 -0.174 134 H ALA 18 HN ALA 18 1.947 6.650 -1.403 135 HA ALA 18 HA ALA 18 -0.497 5.896 -2.682 136 HB1 ALA 18 HB1 ALA 18 1.517 6.121 -4.003 137 HB2 ALA 18 HB2 ALA 18 0.889 4.471 -4.086 138 HB3 ALA 18 HB3 ALA 18 2.287 4.831 -3.073 139 H LEU 19 HN LEU 19 1.507 4.532 -0.168 140 HA LEU 19 HA LEU 19 0.399 1.906 -0.396 141 HB2 LEU 19 HB2 LEU 19 2.288 3.285 1.385 142 HB3 LEU 19 HB1 LEU 19 1.289 2.077 2.186 143 HG LEU 19 HG LEU 19 3.429 1.136 1.461 144 HD11 LEU 19 HD11 LEU 19 1.067 0.106 -0.105 145 HD12 LEU 19 HD12 LEU 19 1.480 -0.316 1.557 146 HD13 LEU 19 HD13 LEU 19 2.548 -0.793 0.236 147 HD21 LEU 19 HD21 LEU 19 2.503 1.778 -1.337 148 HD22 LEU 19 HD22 LEU 19 3.973 0.909 -0.885 149 HD23 LEU 19 HD23 LEU 19 3.792 2.614 -0.471 150 H GLN 20 HN GLN 20 -0.327 4.871 1.220 151 HA GLN 20 HA GLN 20 -2.289 3.786 2.887 152 HB2 GLN 20 HB2 GLN 20 -1.962 6.608 1.900 153 HB3 GLN 20 HB1 GLN 20 -3.081 6.131 3.169 154 HG2 GLN 20 HG2 GLN 20 -1.310 5.559 4.634 155 HG3 GLN 20 HG1 GLN 20 -0.116 5.689 3.343 156 HE21 GLN 20 HE21 GLN 20 -2.153 7.433 5.556 157 HE22 GLN 20 HE22 GLN 20 -1.397 8.979 5.345 158 H ARG 21 HN ARG 21 -2.325 5.299 -0.190 159 HA ARG 21 HA ARG 21 -5.081 5.051 -0.754 160 HB2 ARG 21 HB2 ARG 21 -2.788 6.015 -2.070 161 HB3 ARG 21 HB1 ARG 21 -3.402 4.727 -3.095 162 HG2 ARG 21 HG2 ARG 21 -4.325 6.810 -3.815 163 HG3 ARG 21 HG1 ARG 21 -5.613 5.843 -3.090 164 HD2 ARG 21 HD2 ARG 21 -5.524 7.117 -1.072 165 HD3 ARG 21 HD1 ARG 21 -4.065 7.953 -1.602 166 HE ARG 21 HE ARG 21 -6.322 8.327 -3.357 167 HH11 ARG 21 HH11 ARG 21 -4.667 9.484 -0.487 168 HH12 ARG 21 HH12 ARG 21 -5.331 11.088 -0.603 169 HH21 ARG 21 HH21 ARG 21 -7.169 10.442 -3.515 170 HH22 ARG 21 HH22 ARG 21 -6.716 11.643 -2.345 171 H HIS 22 HN HIS 22 -2.318 2.968 -0.927 172 HA HIS 22 HA HIS 22 -3.355 1.015 -2.708 173 HB2 HIS 22 HB2 HIS 22 -0.930 1.437 -2.001 174 HB3 HIS 22 HB1 HIS 22 -1.302 0.481 -0.577 175 HD1 HIS 22 HD1 HIS 22 -1.070 0.139 -4.352 176 HD2 HIS 22 HD2 HIS 22 -1.279 -2.183 -0.912 177 HE1 HIS 22 HE1 HIS 22 -0.645 -2.247 -5.076 178 H VAL 23 HN VAL 23 -2.965 1.038 0.817 179 HA VAL 23 HA VAL 23 -3.977 -1.543 1.106 180 HB VAL 23 HB VAL 23 -3.815 0.653 3.179 181 HG11 VAL 23 HG11 VAL 23 -5.404 -1.049 3.881 182 HG12 VAL 23 HG12 VAL 23 -3.927 -1.157 4.840 183 HG13 VAL 23 HG13 VAL 23 -4.224 -2.315 3.542 184 HG21 VAL 23 HG21 VAL 23 -1.767 -0.486 3.890 185 HG22 VAL 23 HG22 VAL 23 -1.654 0.058 2.216 186 HG23 VAL 23 HG23 VAL 23 -1.953 -1.644 2.573 187 H ARG 24 HN ARG 24 -5.502 1.631 1.151 188 HA ARG 24 HA ARG 24 -8.062 0.713 1.937 189 HB2 ARG 24 HB2 ARG 24 -7.224 3.208 0.468 190 HB3 ARG 24 HB1 ARG 24 -8.876 2.887 0.985 191 HG2 ARG 24 HG2 ARG 24 -7.781 2.531 3.318 192 HG3 ARG 24 HG1 ARG 24 -6.459 3.470 2.628 193 HD2 ARG 24 HD2 ARG 24 -7.912 5.319 2.186 194 HD3 ARG 24 HD1 ARG 24 -9.333 4.378 2.638 195 HE ARG 24 HE ARG 24 -7.221 4.946 4.609 196 HH11 ARG 24 HH11 ARG 24 -10.551 5.224 3.552 197 HH12 ARG 24 HH12 ARG 24 -11.128 5.811 5.078 198 HH21 ARG 24 HH21 ARG 24 -7.977 5.705 6.631 199 HH22 ARG 24 HH22 ARG 24 -9.664 6.073 6.838 200 H ILE 25 HN ILE 25 -6.365 0.592 -1.074 201 HA ILE 25 HA ILE 25 -8.571 0.220 -2.801 202 HB ILE 25 HB ILE 25 -5.723 -0.773 -2.951 203 HG12 ILE 25 HG12 ILE 25 -6.038 1.641 -3.197 204 HG13 ILE 25 HG11 ILE 25 -5.460 0.917 -4.683 205 HG21 ILE 25 HG21 ILE 25 -6.150 -1.368 -5.264 206 HG22 ILE 25 HG22 ILE 25 -7.855 -0.989 -5.045 207 HG23 ILE 25 HG23 ILE 25 -7.128 -2.324 -4.153 208 HD11 ILE 25 HD11 ILE 25 -7.733 0.992 -5.584 209 HD12 ILE 25 HD12 ILE 25 -7.143 2.592 -5.133 210 HD13 ILE 25 HD13 ILE 25 -8.290 1.750 -4.091 211 H HIS 26 HN HIS 26 -6.520 -2.051 -0.992 212 HA HIS 26 HA HIS 26 -7.825 -4.408 -1.810 213 HB2 HIS 26 HB2 HIS 26 -6.128 -3.742 0.580 214 HB3 HIS 26 HB1 HIS 26 -6.871 -5.325 0.409 215 HD1 HIS 26 HD1 HIS 26 -6.277 -5.786 -2.648 216 HD2 HIS 26 HD2 HIS 26 -3.566 -4.344 0.162 217 HE1 HIS 26 HE1 HIS 26 -3.955 -6.366 -3.515 218 H THR 27 HN THR 27 -8.210 -2.436 1.129 219 HA THR 27 HA THR 27 -10.219 -4.226 2.127 220 HB THR 27 HB THR 27 -8.596 -3.079 3.620 221 HG1 THR 27 HG1 THR 27 -10.544 -2.254 5.039 222 HG21 THR 27 HG21 THR 27 -10.291 -0.642 3.064 223 HG22 THR 27 HG22 THR 27 -8.618 -0.871 2.554 224 HG23 THR 27 HG23 THR 27 -9.010 -0.760 4.271 225 H GLY 28 HN GLY 28 -10.248 -1.460 0.130 226 HA2 GLY 28 HA2 GLY 28 -12.022 -0.517 -0.998 227 HA3 GLY 28 HA1 GLY 28 -13.060 -1.725 -0.257 228 H GLU 29 HN GLU 29 -11.285 -0.027 2.041 229 HA GLU 29 HA GLU 29 -13.665 1.383 2.913 230 HB2 GLU 29 HB2 GLU 29 -10.922 1.132 4.142 231 HB3 GLU 29 HB1 GLU 29 -12.260 2.000 4.884 232 HG2 GLU 29 HG2 GLU 29 -13.552 -0.051 4.981 233 HG3 GLU 29 HG1 GLU 29 -12.232 -0.925 4.198 234 H LYS 30 HN LYS 30 -11.701 2.155 0.595 235 HA LYS 30 HA LYS 30 -10.888 4.804 1.333 236 HB2 LYS 30 HB2 LYS 30 -10.448 5.059 -1.142 237 HB3 LYS 30 HB1 LYS 30 -9.577 3.754 -0.352 238 HG2 LYS 30 HG2 LYS 30 -11.066 2.123 -1.259 239 HG3 LYS 30 HG1 LYS 30 -12.120 3.382 -1.909 240 HD2 LYS 30 HD2 LYS 30 -10.281 4.132 -3.363 241 HD3 LYS 30 HD1 LYS 30 -9.273 2.823 -2.741 242 HE2 LYS 30 HE2 LYS 30 -10.280 2.242 -4.897 243 HE3 LYS 30 HE1 LYS 30 -10.844 1.181 -3.606 244 HZ1 LYS 30 HZ1 LYS 30 -12.330 3.506 -4.714 245 HZ2 LYS 30 HZ2 LYS 30 -12.879 2.489 -3.474 246 HZ3 LYS 30 HZ3 LYS 30 -12.656 1.872 -5.037 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 18.056 2.398 -2.822 2 H2 MET 1 HT2 MET 1 17.623 3.724 -1.861 3 H3 MET 1 HT3 MET 1 17.939 3.945 -3.516 4 HA MET 1 HA MET 1 15.589 3.997 -3.156 5 HB2 MET 1 HB2 MET 1 16.544 1.421 -4.425 6 HB3 MET 1 HB1 MET 1 14.912 2.051 -4.585 7 HG2 MET 1 HG2 MET 1 17.410 3.453 -5.504 8 HG3 MET 1 HG1 MET 1 16.330 2.516 -6.535 9 HE1 MET 1 HE1 MET 1 15.640 6.187 -7.671 10 HE2 MET 1 HE2 MET 1 16.015 4.547 -8.203 11 HE3 MET 1 HE3 MET 1 17.174 5.442 -7.219 12 H LYS 2 HN LYS 2 14.814 3.832 -1.053 13 HA LYS 2 HA LYS 2 14.158 1.069 -0.252 14 HB2 LYS 2 HB2 LYS 2 13.842 1.938 2.051 15 HB3 LYS 2 HB1 LYS 2 15.491 2.108 1.474 16 HG2 LYS 2 HG2 LYS 2 15.341 4.414 1.334 17 HG3 LYS 2 HG1 LYS 2 13.576 4.396 1.246 18 HD2 LYS 2 HD2 LYS 2 13.512 3.602 3.594 19 HD3 LYS 2 HD1 LYS 2 15.269 3.753 3.662 20 HE2 LYS 2 HE2 LYS 2 15.149 6.117 3.351 21 HE3 LYS 2 HE1 LYS 2 13.422 6.040 3.002 22 HZ1 LYS 2 HZ1 LYS 2 14.629 5.285 5.611 23 HZ2 LYS 2 HZ2 LYS 2 12.977 5.414 5.251 24 HZ3 LYS 2 HZ3 LYS 2 13.951 6.803 5.280 25 HA PRO 3 HA PRO 3 10.182 2.958 -1.624 26 HB2 PRO 3 HB2 PRO 3 9.681 0.147 -2.381 27 HB3 PRO 3 HB1 PRO 3 9.505 1.623 -3.346 28 HG2 PRO 3 HG2 PRO 3 11.487 -0.057 -3.837 29 HG3 PRO 3 HG1 PRO 3 11.742 1.698 -3.865 30 HD2 PRO 3 HD2 PRO 3 12.378 -0.246 -1.656 31 HD3 PRO 3 HD1 PRO 3 13.422 1.006 -2.373 32 H TYR 4 HN TYR 4 7.986 2.079 -1.282 33 HA TYR 4 HA TYR 4 7.810 0.755 1.340 34 HB2 TYR 4 HB2 TYR 4 6.019 2.879 0.102 35 HB3 TYR 4 HB1 TYR 4 5.637 1.988 1.579 36 HD1 TYR 4 HD1 TYR 4 8.064 4.340 0.075 37 HD2 TYR 4 HD2 TYR 4 6.588 2.608 3.671 38 HE1 TYR 4 HE1 TYR 4 9.330 5.992 1.384 39 HE2 TYR 4 HE2 TYR 4 7.850 4.258 4.989 40 HH TYR 4 HH TYR 4 9.819 5.708 4.742 41 H VAL 5 HN VAL 5 6.951 -1.212 1.245 42 HA VAL 5 HA VAL 5 5.652 -1.970 -1.257 43 HB VAL 5 HB VAL 5 6.218 -4.246 -0.737 44 HG11 VAL 5 HG11 VAL 5 8.596 -2.467 -0.241 45 HG12 VAL 5 HG12 VAL 5 7.912 -2.834 -1.823 46 HG13 VAL 5 HG13 VAL 5 8.634 -4.120 -0.853 47 HG21 VAL 5 HG21 VAL 5 7.348 -3.188 1.850 48 HG22 VAL 5 HG22 VAL 5 7.529 -4.840 1.259 49 HG23 VAL 5 HG23 VAL 5 5.929 -4.220 1.675 50 H CYS 6 HN CYS 6 3.783 -3.184 -1.295 51 HA CYS 6 HA CYS 6 1.885 -2.651 0.745 52 HB2 CYS 6 HB2 CYS 6 1.280 -2.945 -1.641 53 HB3 CYS 6 HB1 CYS 6 1.708 -4.645 -1.515 54 H ILE 7 HN ILE 7 1.612 -3.686 2.558 55 HA ILE 7 HA ILE 7 3.040 -5.991 3.297 56 HB ILE 7 HB ILE 7 0.850 -4.351 4.526 57 HG12 ILE 7 HG12 ILE 7 2.579 -4.035 6.287 58 HG13 ILE 7 HG11 ILE 7 3.676 -5.046 5.353 59 HG21 ILE 7 HG21 ILE 7 1.918 -6.896 5.722 60 HG22 ILE 7 HG22 ILE 7 0.278 -6.630 5.131 61 HG23 ILE 7 HG23 ILE 7 0.869 -5.729 6.527 62 HD11 ILE 7 HD11 ILE 7 3.524 -3.422 3.501 63 HD12 ILE 7 HD12 ILE 7 4.208 -2.744 4.982 64 HD13 ILE 7 HD13 ILE 7 2.537 -2.389 4.537 65 H HIS 8 HN HIS 8 -0.020 -5.541 1.735 66 HA HIS 8 HA HIS 8 -1.024 -8.100 2.660 67 HB2 HIS 8 HB2 HIS 8 -2.430 -5.967 2.435 68 HB3 HIS 8 HB1 HIS 8 -2.437 -6.312 0.701 69 HD1 HIS 8 HD1 HIS 8 -3.234 -8.217 3.908 70 HD2 HIS 8 HD2 HIS 8 -4.561 -7.834 -0.015 71 HE1 HIS 8 HE1 HIS 8 -5.272 -9.685 3.732 72 HE2 HIS 8 HE2 HIS 8 -6.143 -9.319 1.397 73 H CYS 9 HN CYS 9 0.249 -6.725 -0.365 74 HA CYS 9 HA CYS 9 -0.049 -9.412 -1.484 75 HB2 CYS 9 HB2 CYS 9 -0.764 -8.556 -3.568 76 HB3 CYS 9 HB1 CYS 9 -1.777 -7.833 -2.335 77 H GLN 10 HN GLN 10 2.106 -7.132 -0.604 78 HA GLN 10 HA GLN 10 4.353 -7.024 -0.760 79 HB2 GLN 10 HB2 GLN 10 4.046 -9.586 -2.328 80 HB3 GLN 10 HB1 GLN 10 5.590 -8.914 -1.804 81 HG2 GLN 10 HG2 GLN 10 4.796 -9.066 0.540 82 HG3 GLN 10 HG1 GLN 10 3.344 -9.876 -0.047 83 HE21 GLN 10 HE21 GLN 10 4.870 -11.263 -2.163 84 HE22 GLN 10 HE22 GLN 10 5.720 -12.541 -1.349 85 H ARG 11 HN ARG 11 3.009 -5.409 -2.493 86 HA ARG 11 HA ARG 11 4.733 -5.425 -4.862 87 HB2 ARG 11 HB2 ARG 11 1.972 -4.281 -4.429 88 HB3 ARG 11 HB1 ARG 11 2.971 -3.894 -5.826 89 HG2 ARG 11 HG2 ARG 11 3.001 -6.232 -6.479 90 HG3 ARG 11 HG1 ARG 11 2.059 -6.652 -5.049 91 HD2 ARG 11 HD2 ARG 11 0.234 -5.204 -5.885 92 HD3 ARG 11 HD1 ARG 11 1.172 -4.920 -7.352 93 HE ARG 11 HE ARG 11 0.953 -7.681 -7.002 94 HH11 ARG 11 HH11 ARG 11 -1.165 -4.959 -7.634 95 HH12 ARG 11 HH12 ARG 11 -2.317 -5.905 -8.536 96 HH21 ARG 11 HH21 ARG 11 -0.528 -8.917 -8.217 97 HH22 ARG 11 HH22 ARG 11 -1.942 -8.154 -8.891 98 H GLN 12 HN GLN 12 6.151 -3.787 -5.073 99 HA GLN 12 HA GLN 12 6.335 -1.977 -2.820 100 HB2 GLN 12 HB2 GLN 12 8.587 -1.529 -3.643 101 HB3 GLN 12 HB1 GLN 12 8.304 -3.251 -3.482 102 HG2 GLN 12 HG2 GLN 12 7.885 -3.362 -5.907 103 HG3 GLN 12 HG1 GLN 12 8.299 -1.655 -6.014 104 HE21 GLN 12 HE21 GLN 12 9.502 -4.862 -5.413 105 HE22 GLN 12 HE22 GLN 12 11.190 -4.476 -5.621 106 H PHE 13 HN PHE 13 6.068 0.147 -2.850 107 HA PHE 13 HA PHE 13 5.723 1.491 -5.449 108 HB2 PHE 13 HB2 PHE 13 4.081 1.918 -2.937 109 HB3 PHE 13 HB1 PHE 13 3.999 2.941 -4.377 110 HD1 PHE 13 HD1 PHE 13 2.965 2.153 -6.405 111 HD2 PHE 13 HD2 PHE 13 3.174 -0.310 -2.947 112 HE1 PHE 13 HE1 PHE 13 1.266 0.659 -7.369 113 HE2 PHE 13 HE2 PHE 13 1.478 -1.808 -3.903 114 HZ PHE 13 HZ PHE 13 0.604 -1.378 -6.176 115 H ALA 14 HN ALA 14 5.952 3.924 -5.216 116 HA ALA 14 HA ALA 14 8.534 4.395 -4.115 117 HB1 ALA 14 HB1 ALA 14 8.352 6.593 -5.029 118 HB2 ALA 14 HB2 ALA 14 6.601 6.447 -5.163 119 HB3 ALA 14 HB3 ALA 14 7.652 5.459 -6.186 120 H ASP 15 HN ASP 15 5.275 5.381 -3.141 121 HA ASP 15 HA ASP 15 6.490 6.950 -0.966 122 HB2 ASP 15 HB2 ASP 15 3.937 7.529 -2.489 123 HB3 ASP 15 HB1 ASP 15 4.555 8.462 -1.140 124 HA PRO 16 HA PRO 16 4.084 4.560 1.900 125 HB2 PRO 16 HB2 PRO 16 3.985 6.371 3.938 126 HB3 PRO 16 HB1 PRO 16 5.417 5.402 3.575 127 HG2 PRO 16 HG2 PRO 16 4.811 8.238 2.846 128 HG3 PRO 16 HG1 PRO 16 6.333 7.526 3.414 129 HD2 PRO 16 HD2 PRO 16 5.867 8.087 0.806 130 HD3 PRO 16 HD1 PRO 16 6.885 6.725 1.323 131 H GLY 17 HN GLY 17 3.266 7.819 0.958 132 HA2 GLY 17 HA2 GLY 17 0.598 7.874 1.899 133 HA3 GLY 17 HA1 GLY 17 1.255 8.860 0.597 134 H ALA 18 HN ALA 18 2.083 6.664 -1.055 135 HA ALA 18 HA ALA 18 -0.386 6.117 -2.368 136 HB1 ALA 18 HB1 ALA 18 1.650 6.338 -3.664 137 HB2 ALA 18 HB2 ALA 18 0.925 4.744 -3.895 138 HB3 ALA 18 HB3 ALA 18 2.336 4.928 -2.854 139 H LEU 19 HN LEU 19 1.549 4.465 0.002 140 HA LEU 19 HA LEU 19 0.391 1.906 -0.381 141 HB2 LEU 19 HB2 LEU 19 2.158 3.192 1.601 142 HB3 LEU 19 HB1 LEU 19 1.135 1.910 2.240 143 HG LEU 19 HG LEU 19 3.317 1.043 1.606 144 HD11 LEU 19 HD11 LEU 19 1.176 0.119 -0.300 145 HD12 LEU 19 HD12 LEU 19 1.325 -0.383 1.382 146 HD13 LEU 19 HD13 LEU 19 2.588 -0.798 0.225 147 HD21 LEU 19 HD21 LEU 19 2.636 1.885 -1.204 148 HD22 LEU 19 HD22 LEU 19 4.100 1.053 -0.664 149 HD23 LEU 19 HD23 LEU 19 3.788 2.714 -0.155 150 H GLN 20 HN GLN 20 -0.401 4.806 1.336 151 HA GLN 20 HA GLN 20 -2.411 3.626 2.867 152 HB2 GLN 20 HB2 GLN 20 -2.081 6.507 2.076 153 HB3 GLN 20 HB1 GLN 20 -3.239 5.937 3.267 154 HG2 GLN 20 HG2 GLN 20 -0.245 5.716 3.486 155 HG3 GLN 20 HG1 GLN 20 -1.260 6.896 4.313 156 HE21 GLN 20 HE21 GLN 20 0.526 4.952 5.460 157 HE22 GLN 20 HE22 GLN 20 -0.437 3.933 6.477 158 H ARG 21 HN ARG 21 -2.357 5.300 -0.119 159 HA ARG 21 HA ARG 21 -5.123 5.139 -0.722 160 HB2 ARG 21 HB2 ARG 21 -3.021 6.384 -1.859 161 HB3 ARG 21 HB1 ARG 21 -3.118 4.988 -2.914 162 HG2 ARG 21 HG2 ARG 21 -5.428 6.833 -2.361 163 HG3 ARG 21 HG1 ARG 21 -4.336 6.988 -3.737 164 HD2 ARG 21 HD2 ARG 21 -4.987 4.785 -4.527 165 HD3 ARG 21 HD1 ARG 21 -6.037 4.571 -3.126 166 HE ARG 21 HE ARG 21 -6.795 6.926 -4.444 167 HH11 ARG 21 HH11 ARG 21 -6.785 3.479 -5.045 168 HH12 ARG 21 HH12 ARG 21 -8.204 3.519 -6.049 169 HH21 ARG 21 HH21 ARG 21 -8.645 6.985 -5.752 170 HH22 ARG 21 HH22 ARG 21 -9.248 5.526 -6.481 171 H HIS 22 HN HIS 22 -2.380 3.052 -1.006 172 HA HIS 22 HA HIS 22 -3.484 1.159 -2.831 173 HB2 HIS 22 HB2 HIS 22 -1.050 1.458 -2.240 174 HB3 HIS 22 HB1 HIS 22 -1.377 0.601 -0.751 175 HD1 HIS 22 HD1 HIS 22 -1.495 0.025 -4.510 176 HD2 HIS 22 HD2 HIS 22 -1.329 -2.061 -0.919 177 HE1 HIS 22 HE1 HIS 22 -1.216 -2.413 -5.115 178 H VAL 23 HN VAL 23 -3.229 1.259 0.692 179 HA VAL 23 HA VAL 23 -4.170 -1.352 1.004 180 HB VAL 23 HB VAL 23 -4.153 0.910 3.012 181 HG11 VAL 23 HG11 VAL 23 -4.639 -2.038 3.451 182 HG12 VAL 23 HG12 VAL 23 -5.815 -0.741 3.666 183 HG13 VAL 23 HG13 VAL 23 -4.407 -0.841 4.724 184 HG21 VAL 23 HG21 VAL 23 -2.306 -1.455 2.645 185 HG22 VAL 23 HG22 VAL 23 -2.176 -0.220 3.899 186 HG23 VAL 23 HG23 VAL 23 -1.942 0.215 2.204 187 H ARG 24 HN ARG 24 -5.770 1.776 0.818 188 HA ARG 24 HA ARG 24 -8.379 0.890 1.410 189 HB2 ARG 24 HB2 ARG 24 -7.528 3.138 -0.414 190 HB3 ARG 24 HB1 ARG 24 -9.097 2.952 0.363 191 HG2 ARG 24 HG2 ARG 24 -6.473 3.341 1.777 192 HG3 ARG 24 HG1 ARG 24 -7.689 4.575 1.513 193 HD2 ARG 24 HD2 ARG 24 -7.895 2.106 3.213 194 HD3 ARG 24 HD1 ARG 24 -7.965 3.785 3.740 195 HE ARG 24 HE ARG 24 -10.056 3.059 1.893 196 HH11 ARG 24 HH11 ARG 24 -9.098 3.154 5.261 197 HH12 ARG 24 HH12 ARG 24 -10.728 3.085 5.852 198 HH21 ARG 24 HH21 ARG 24 -12.185 2.976 2.661 199 HH22 ARG 24 HH22 ARG 24 -12.491 3.014 4.380 200 H ILE 25 HN ILE 25 -6.389 0.458 -1.385 201 HA ILE 25 HA ILE 25 -8.432 -0.082 -3.274 202 HB ILE 25 HB ILE 25 -5.544 -0.939 -3.112 203 HG12 ILE 25 HG12 ILE 25 -6.963 1.019 -4.926 204 HG13 ILE 25 HG11 ILE 25 -6.006 1.441 -3.519 205 HG21 ILE 25 HG21 ILE 25 -5.768 -1.650 -5.446 206 HG22 ILE 25 HG22 ILE 25 -7.511 -1.423 -5.326 207 HG23 ILE 25 HG23 ILE 25 -6.708 -2.641 -4.333 208 HD11 ILE 25 HD11 ILE 25 -4.761 1.766 -5.577 209 HD12 ILE 25 HD12 ILE 25 -4.971 0.061 -5.976 210 HD13 ILE 25 HD13 ILE 25 -4.016 0.529 -4.567 211 H HIS 26 HN HIS 26 -6.456 -2.180 -1.168 212 HA HIS 26 HA HIS 26 -7.854 -4.571 -1.768 213 HB2 HIS 26 HB2 HIS 26 -6.227 -3.752 0.637 214 HB3 HIS 26 HB1 HIS 26 -6.979 -5.333 0.508 215 HD1 HIS 26 HD1 HIS 26 -6.241 -6.246 -2.292 216 HD2 HIS 26 HD2 HIS 26 -3.644 -4.124 0.179 217 HE1 HIS 26 HE1 HIS 26 -3.880 -6.759 -3.106 218 H THR 27 HN THR 27 -8.223 -2.100 0.708 219 HA THR 27 HA THR 27 -10.573 -3.352 1.831 220 HB THR 27 HB THR 27 -9.715 -0.523 2.413 221 HG1 THR 27 HG1 THR 27 -7.819 -1.815 2.575 222 HG21 THR 27 HG21 THR 27 -10.886 -2.725 4.118 223 HG22 THR 27 HG22 THR 27 -11.789 -1.379 3.422 224 HG23 THR 27 HG23 THR 27 -10.555 -1.077 4.647 225 H GLY 28 HN GLY 28 -11.079 -3.107 -0.761 226 HA2 GLY 28 HA2 GLY 28 -12.227 -0.545 -1.449 227 HA3 GLY 28 HA1 GLY 28 -12.195 -1.984 -2.456 228 H GLU 29 HN GLU 29 -13.417 -1.921 0.813 229 HA GLU 29 HA GLU 29 -16.035 -2.736 -0.096 230 HB2 GLU 29 HB2 GLU 29 -16.541 -2.975 2.305 231 HB3 GLU 29 HB1 GLU 29 -15.090 -3.854 1.841 232 HG2 GLU 29 HG2 GLU 29 -13.704 -2.100 2.725 233 HG3 GLU 29 HG1 GLU 29 -15.129 -1.146 3.121 234 H LYS 30 HN LYS 30 -14.399 0.091 0.865 235 HA LYS 30 HA LYS 30 -16.906 1.616 0.744 236 HB2 LYS 30 HB2 LYS 30 -14.591 2.155 2.618 237 HB3 LYS 30 HB1 LYS 30 -16.021 3.161 2.441 238 HG2 LYS 30 HG2 LYS 30 -17.401 1.253 3.209 239 HG3 LYS 30 HG1 LYS 30 -15.914 0.348 3.497 240 HD2 LYS 30 HD2 LYS 30 -16.680 1.321 5.569 241 HD3 LYS 30 HD1 LYS 30 -15.186 2.112 5.063 242 HE2 LYS 30 HE2 LYS 30 -16.843 3.721 5.887 243 HE3 LYS 30 HE1 LYS 30 -16.452 3.991 4.189 244 HZ1 LYS 30 HZ1 LYS 30 -18.822 2.443 5.084 245 HZ2 LYS 30 HZ2 LYS 30 -18.488 3.022 3.525 246 HZ3 LYS 30 HZ3 LYS 30 -18.868 4.109 4.763 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 18.746 2.155 -0.521 2 H2 MET 1 HT2 MET 1 18.241 1.091 -1.741 3 H3 MET 1 HT3 MET 1 18.089 0.645 -0.113 4 HA MET 1 HA MET 1 16.556 2.539 0.206 5 HB2 MET 1 HB2 MET 1 16.974 2.679 -2.762 6 HB3 MET 1 HB1 MET 1 15.449 3.199 -2.058 7 HG2 MET 1 HG2 MET 1 18.161 4.293 -1.353 8 HG3 MET 1 HG1 MET 1 16.994 5.053 -2.430 9 HE1 MET 1 HE1 MET 1 14.233 4.461 -0.976 10 HE2 MET 1 HE2 MET 1 14.653 6.044 -1.633 11 HE3 MET 1 HE3 MET 1 14.055 5.904 0.019 12 H LYS 2 HN LYS 2 15.385 0.929 1.113 13 HA LYS 2 HA LYS 2 13.941 -0.943 -0.557 14 HB2 LYS 2 HB2 LYS 2 13.880 -0.361 2.406 15 HB3 LYS 2 HB1 LYS 2 12.801 -1.517 1.640 16 HG2 LYS 2 HG2 LYS 2 15.806 -1.671 1.700 17 HG3 LYS 2 HG1 LYS 2 14.691 -2.624 2.681 18 HD2 LYS 2 HD2 LYS 2 13.714 -3.499 0.540 19 HD3 LYS 2 HD1 LYS 2 15.036 -2.701 -0.311 20 HE2 LYS 2 HE2 LYS 2 15.306 -4.834 1.801 21 HE3 LYS 2 HE1 LYS 2 15.530 -5.053 0.066 22 HZ1 LYS 2 HZ1 LYS 2 17.632 -4.815 1.244 23 HZ2 LYS 2 HZ2 LYS 2 17.172 -3.280 1.797 24 HZ3 LYS 2 HZ3 LYS 2 17.406 -3.549 0.135 25 HA PRO 3 HA PRO 3 10.795 2.195 -1.218 26 HB2 PRO 3 HB2 PRO 3 9.200 0.657 -2.803 27 HB3 PRO 3 HB1 PRO 3 10.671 1.452 -3.398 28 HG2 PRO 3 HG2 PRO 3 10.260 -1.385 -2.537 29 HG3 PRO 3 HG1 PRO 3 11.150 -0.750 -3.931 30 HD2 PRO 3 HD2 PRO 3 12.388 -1.551 -1.659 31 HD3 PRO 3 HD1 PRO 3 13.010 -0.230 -2.669 32 H TYR 4 HN TYR 4 8.314 2.080 -1.110 33 HA TYR 4 HA TYR 4 7.666 0.716 1.378 34 HB2 TYR 4 HB2 TYR 4 6.153 2.868 -0.152 35 HB3 TYR 4 HB1 TYR 4 5.662 2.174 1.395 36 HD1 TYR 4 HD1 TYR 4 8.093 4.354 -0.265 37 HD2 TYR 4 HD2 TYR 4 6.814 2.745 3.454 38 HE1 TYR 4 HE1 TYR 4 9.433 6.040 0.917 39 HE2 TYR 4 HE2 TYR 4 8.156 4.425 4.647 40 HH TYR 4 HH TYR 4 9.459 7.155 3.103 41 H VAL 5 HN VAL 5 7.078 -1.309 1.050 42 HA VAL 5 HA VAL 5 5.563 -1.998 -1.336 43 HB VAL 5 HB VAL 5 6.070 -4.313 -0.805 44 HG11 VAL 5 HG11 VAL 5 8.519 -2.563 -0.638 45 HG12 VAL 5 HG12 VAL 5 7.673 -3.014 -2.119 46 HG13 VAL 5 HG13 VAL 5 8.479 -4.252 -1.154 47 HG21 VAL 5 HG21 VAL 5 7.556 -4.901 1.054 48 HG22 VAL 5 HG22 VAL 5 6.045 -4.197 1.628 49 HG23 VAL 5 HG23 VAL 5 7.518 -3.227 1.608 50 H CYS 6 HN CYS 6 3.657 -3.097 -1.301 51 HA CYS 6 HA CYS 6 1.806 -2.488 0.739 52 HB2 CYS 6 HB2 CYS 6 1.188 -2.878 -1.620 53 HB3 CYS 6 HB1 CYS 6 1.618 -4.571 -1.442 54 H ILE 7 HN ILE 7 1.395 -3.481 2.580 55 HA ILE 7 HA ILE 7 2.949 -5.658 3.468 56 HB ILE 7 HB ILE 7 0.414 -4.702 4.785 57 HG12 ILE 7 HG12 ILE 7 1.538 -2.665 4.291 58 HG13 ILE 7 HG11 ILE 7 1.926 -3.035 5.968 59 HG21 ILE 7 HG21 ILE 7 3.019 -5.779 5.840 60 HG22 ILE 7 HG22 ILE 7 1.472 -6.622 5.789 61 HG23 ILE 7 HG23 ILE 7 1.677 -5.218 6.835 62 HD11 ILE 7 HD11 ILE 7 4.103 -3.873 5.287 63 HD12 ILE 7 HD12 ILE 7 3.860 -2.217 4.726 64 HD13 ILE 7 HD13 ILE 7 3.697 -3.566 3.596 65 H HIS 8 HN HIS 8 -0.030 -5.448 1.800 66 HA HIS 8 HA HIS 8 -0.986 -7.998 2.833 67 HB2 HIS 8 HB2 HIS 8 -2.458 -5.919 2.434 68 HB3 HIS 8 HB1 HIS 8 -2.370 -6.355 0.724 69 HD1 HIS 8 HD1 HIS 8 -4.900 -6.412 2.808 70 HD2 HIS 8 HD2 HIS 8 -2.841 -9.637 1.166 71 HE1 HIS 8 HE1 HIS 8 -6.499 -8.352 2.876 72 HE2 HIS 8 HE2 HIS 8 -5.160 -10.331 2.079 73 H CYS 9 HN CYS 9 0.286 -6.665 -0.220 74 HA CYS 9 HA CYS 9 0.060 -9.378 -1.307 75 HB2 CYS 9 HB2 CYS 9 -0.757 -8.559 -3.363 76 HB3 CYS 9 HB1 CYS 9 -1.718 -7.787 -2.120 77 H GLN 10 HN GLN 10 2.141 -6.980 -0.507 78 HA GLN 10 HA GLN 10 4.363 -6.705 -0.765 79 HB2 GLN 10 HB2 GLN 10 4.131 -9.352 -2.189 80 HB3 GLN 10 HB1 GLN 10 5.670 -8.546 -1.888 81 HG2 GLN 10 HG2 GLN 10 5.233 -8.632 0.521 82 HG3 GLN 10 HG1 GLN 10 3.709 -9.464 0.210 83 HE21 GLN 10 HE21 GLN 10 4.849 -10.991 -2.012 84 HE22 GLN 10 HE22 GLN 10 5.839 -12.222 -1.287 85 H ARG 11 HN ARG 11 2.787 -5.287 -2.525 86 HA ARG 11 HA ARG 11 4.250 -5.295 -5.049 87 HB2 ARG 11 HB2 ARG 11 1.723 -3.969 -4.098 88 HB3 ARG 11 HB1 ARG 11 2.555 -3.393 -5.543 89 HG2 ARG 11 HG2 ARG 11 1.787 -6.272 -5.223 90 HG3 ARG 11 HG1 ARG 11 0.649 -5.071 -5.834 91 HD2 ARG 11 HD2 ARG 11 3.380 -5.538 -7.012 92 HD3 ARG 11 HD1 ARG 11 1.917 -6.327 -7.598 93 HE ARG 11 HE ARG 11 1.294 -3.675 -7.628 94 HH11 ARG 11 HH11 ARG 11 3.857 -5.603 -9.036 95 HH12 ARG 11 HH12 ARG 11 4.054 -4.573 -10.418 96 HH21 ARG 11 HH21 ARG 11 1.530 -2.324 -9.452 97 HH22 ARG 11 HH22 ARG 11 2.716 -2.706 -10.665 98 H GLN 12 HN GLN 12 5.614 -3.627 -5.649 99 HA GLN 12 HA GLN 12 6.689 -2.131 -3.398 100 HB2 GLN 12 HB2 GLN 12 7.711 -2.471 -6.219 101 HB3 GLN 12 HB1 GLN 12 8.588 -1.729 -4.895 102 HG2 GLN 12 HG2 GLN 12 8.738 -3.799 -3.730 103 HG3 GLN 12 HG1 GLN 12 7.647 -4.577 -4.874 104 HE21 GLN 12 HE21 GLN 12 10.390 -5.278 -4.105 105 HE22 GLN 12 HE22 GLN 12 11.298 -5.305 -5.586 106 H PHE 13 HN PHE 13 6.259 -0.042 -3.065 107 HA PHE 13 HA PHE 13 5.651 1.656 -5.385 108 HB2 PHE 13 HB2 PHE 13 4.173 1.601 -2.742 109 HB3 PHE 13 HB1 PHE 13 4.028 2.915 -3.922 110 HD1 PHE 13 HD1 PHE 13 3.094 2.461 -6.153 111 HD2 PHE 13 HD2 PHE 13 3.064 -0.464 -3.069 112 HE1 PHE 13 HE1 PHE 13 1.403 1.177 -7.393 113 HE2 PHE 13 HE2 PHE 13 1.374 -1.752 -4.300 114 HZ PHE 13 HZ PHE 13 0.539 -0.935 -6.462 115 H ALA 14 HN ALA 14 5.871 4.002 -4.866 116 HA ALA 14 HA ALA 14 8.570 4.299 -3.850 117 HB1 ALA 14 HB1 ALA 14 6.803 6.406 -5.059 118 HB2 ALA 14 HB2 ALA 14 7.758 5.269 -6.017 119 HB3 ALA 14 HB3 ALA 14 8.565 6.410 -4.940 120 H ASP 15 HN ASP 15 5.346 5.191 -2.917 121 HA ASP 15 HA ASP 15 6.430 6.994 -0.858 122 HB2 ASP 15 HB2 ASP 15 3.902 7.341 -2.485 123 HB3 ASP 15 HB1 ASP 15 4.415 8.379 -1.171 124 HA PRO 16 HA PRO 16 4.009 4.644 2.056 125 HB2 PRO 16 HB2 PRO 16 3.865 6.526 4.020 126 HB3 PRO 16 HB1 PRO 16 5.308 5.552 3.722 127 HG2 PRO 16 HG2 PRO 16 4.705 8.354 2.859 128 HG3 PRO 16 HG1 PRO 16 6.214 7.683 3.504 129 HD2 PRO 16 HD2 PRO 16 5.837 8.118 0.862 130 HD3 PRO 16 HD1 PRO 16 6.827 6.771 1.474 131 H GLY 17 HN GLY 17 3.191 7.838 0.910 132 HA2 GLY 17 HA2 GLY 17 0.483 7.872 1.775 133 HA3 GLY 17 HA1 GLY 17 1.172 8.837 0.475 134 H ALA 18 HN ALA 18 2.138 6.546 -1.016 135 HA ALA 18 HA ALA 18 -0.269 5.929 -2.430 136 HB1 ALA 18 HB1 ALA 18 1.785 6.195 -3.673 137 HB2 ALA 18 HB2 ALA 18 1.161 4.553 -3.867 138 HB3 ALA 18 HB3 ALA 18 2.521 4.858 -2.787 139 H LEU 19 HN LEU 19 1.636 4.335 0.032 140 HA LEU 19 HA LEU 19 0.554 1.754 -0.412 141 HB2 LEU 19 HB2 LEU 19 1.987 3.050 1.881 142 HB3 LEU 19 HB1 LEU 19 1.228 1.475 2.083 143 HG LEU 19 HG LEU 19 3.523 2.213 0.286 144 HD11 LEU 19 HD11 LEU 19 3.165 0.211 2.508 145 HD12 LEU 19 HD12 LEU 19 4.070 1.720 2.597 146 HD13 LEU 19 HD13 LEU 19 4.626 0.417 1.546 147 HD21 LEU 19 HD21 LEU 19 1.930 -0.348 0.331 148 HD22 LEU 19 HD22 LEU 19 3.437 -0.093 -0.548 149 HD23 LEU 19 HD23 LEU 19 1.990 0.812 -0.994 150 H GLN 20 HN GLN 20 -0.391 4.591 1.394 151 HA GLN 20 HA GLN 20 -2.367 3.129 2.775 152 HB2 GLN 20 HB2 GLN 20 -3.027 5.196 3.837 153 HB3 GLN 20 HB1 GLN 20 -1.283 5.078 3.796 154 HG2 GLN 20 HG2 GLN 20 -1.576 7.254 3.234 155 HG3 GLN 20 HG1 GLN 20 -1.486 6.506 1.643 156 HE21 GLN 20 HE21 GLN 20 -4.267 6.260 3.744 157 HE22 GLN 20 HE22 GLN 20 -5.319 7.248 2.785 158 H ARG 21 HN ARG 21 -2.189 5.097 0.047 159 HA ARG 21 HA ARG 21 -4.942 5.134 -0.652 160 HB2 ARG 21 HB2 ARG 21 -2.827 6.396 -1.629 161 HB3 ARG 21 HB1 ARG 21 -2.769 5.023 -2.713 162 HG2 ARG 21 HG2 ARG 21 -5.232 6.709 -2.377 163 HG3 ARG 21 HG1 ARG 21 -3.972 7.070 -3.557 164 HD2 ARG 21 HD2 ARG 21 -4.301 4.881 -4.583 165 HD3 ARG 21 HD1 ARG 21 -5.540 4.501 -3.390 166 HE ARG 21 HE ARG 21 -6.237 6.888 -4.685 167 HH11 ARG 21 HH11 ARG 21 -5.914 3.478 -5.386 168 HH12 ARG 21 HH12 ARG 21 -7.140 3.474 -6.614 169 HH21 ARG 21 HH21 ARG 21 -7.856 6.901 -6.289 170 HH22 ARG 21 HH22 ARG 21 -8.243 5.428 -7.127 171 H HIS 22 HN HIS 22 -2.269 2.959 -1.114 172 HA HIS 22 HA HIS 22 -3.469 1.179 -2.976 173 HB2 HIS 22 HB2 HIS 22 -1.030 1.383 -2.437 174 HB3 HIS 22 HB1 HIS 22 -1.340 0.526 -0.948 175 HD1 HIS 22 HD1 HIS 22 -1.553 -0.059 -4.720 176 HD2 HIS 22 HD2 HIS 22 -1.301 -2.108 -1.113 177 HE1 HIS 22 HE1 HIS 22 -1.251 -2.503 -5.307 178 H VAL 23 HN VAL 23 -3.169 1.124 0.547 179 HA VAL 23 HA VAL 23 -4.242 -1.451 0.751 180 HB VAL 23 HB VAL 23 -4.011 0.696 2.867 181 HG11 VAL 23 HG11 VAL 23 -4.310 -1.078 4.515 182 HG12 VAL 23 HG12 VAL 23 -4.586 -2.245 3.221 183 HG13 VAL 23 HG13 VAL 23 -5.734 -0.932 3.484 184 HG21 VAL 23 HG21 VAL 23 -2.292 -1.717 2.277 185 HG22 VAL 23 HG22 VAL 23 -2.056 -0.582 3.604 186 HG23 VAL 23 HG23 VAL 23 -1.872 -0.039 1.935 187 H ARG 24 HN ARG 24 -5.637 1.756 0.719 188 HA ARG 24 HA ARG 24 -8.293 1.143 1.351 189 HB2 ARG 24 HB2 ARG 24 -7.064 3.196 -0.474 190 HB3 ARG 24 HB1 ARG 24 -8.796 3.108 -0.193 191 HG2 ARG 24 HG2 ARG 24 -7.069 3.200 2.196 192 HG3 ARG 24 HG1 ARG 24 -7.164 4.661 1.219 193 HD2 ARG 24 HD2 ARG 24 -8.874 4.822 2.866 194 HD3 ARG 24 HD1 ARG 24 -9.667 4.453 1.337 195 HE ARG 24 HE ARG 24 -9.153 2.460 3.460 196 HH11 ARG 24 HH11 ARG 24 -11.087 3.676 0.791 197 HH12 ARG 24 HH12 ARG 24 -12.390 2.555 1.051 198 HH21 ARG 24 HH21 ARG 24 -10.878 1.015 3.840 199 HH22 ARG 24 HH22 ARG 24 -12.270 1.029 2.800 200 H ILE 25 HN ILE 25 -6.405 0.468 -1.488 201 HA ILE 25 HA ILE 25 -8.555 -0.111 -3.249 202 HB ILE 25 HB ILE 25 -5.679 -1.034 -3.256 203 HG12 ILE 25 HG12 ILE 25 -7.108 1.074 -4.886 204 HG13 ILE 25 HG11 ILE 25 -6.012 1.376 -3.549 205 HG21 ILE 25 HG21 ILE 25 -6.096 -1.597 -5.622 206 HG22 ILE 25 HG22 ILE 25 -7.816 -1.359 -5.327 207 HG23 ILE 25 HG23 ILE 25 -6.943 -2.636 -4.475 208 HD11 ILE 25 HD11 ILE 25 -4.912 1.720 -5.683 209 HD12 ILE 25 HD12 ILE 25 -5.282 0.059 -6.146 210 HD13 ILE 25 HD13 ILE 25 -4.184 0.374 -4.802 211 H HIS 26 HN HIS 26 -6.480 -2.195 -1.187 212 HA HIS 26 HA HIS 26 -7.843 -4.598 -1.793 213 HB2 HIS 26 HB2 HIS 26 -6.217 -3.797 0.618 214 HB3 HIS 26 HB1 HIS 26 -6.970 -5.378 0.484 215 HD1 HIS 26 HD1 HIS 26 -6.265 -6.179 -2.386 216 HD2 HIS 26 HD2 HIS 26 -3.645 -4.263 0.218 217 HE1 HIS 26 HE1 HIS 26 -3.914 -6.693 -3.211 218 H THR 27 HN THR 27 -8.401 -2.069 0.563 219 HA THR 27 HA THR 27 -10.694 -3.474 1.670 220 HB THR 27 HB THR 27 -10.032 -0.637 2.371 221 HG1 THR 27 HG1 THR 27 -8.008 -1.653 2.454 222 HG21 THR 27 HG21 THR 27 -10.758 -1.365 4.585 223 HG22 THR 27 HG22 THR 27 -10.907 -3.024 4.004 224 HG23 THR 27 HG23 THR 27 -11.980 -1.771 3.377 225 H GLY 28 HN GLY 28 -10.568 -2.591 -1.144 226 HA2 GLY 28 HA2 GLY 28 -12.418 -0.419 -1.447 227 HA3 GLY 28 HA1 GLY 28 -11.864 -1.508 -2.712 228 H GLU 29 HN GLU 29 -13.899 -1.479 0.175 229 HA GLU 29 HA GLU 29 -15.511 -3.672 -0.836 230 HB2 GLU 29 HB2 GLU 29 -15.853 -2.027 1.682 231 HB3 GLU 29 HB1 GLU 29 -16.555 -3.606 1.347 232 HG2 GLU 29 HG2 GLU 29 -14.427 -4.661 1.425 233 HG3 GLU 29 HG1 GLU 29 -13.596 -3.109 1.489 234 H LYS 30 HN LYS 30 -15.514 -0.258 -0.664 235 HA LYS 30 HA LYS 30 -18.035 -0.174 -2.148 236 HB2 LYS 30 HB2 LYS 30 -17.229 1.627 0.144 237 HB3 LYS 30 HB1 LYS 30 -18.496 2.045 -1.002 238 HG2 LYS 30 HG2 LYS 30 -18.508 -0.428 0.713 239 HG3 LYS 30 HG1 LYS 30 -19.341 1.078 1.111 240 HD2 LYS 30 HD2 LYS 30 -20.752 0.888 -0.808 241 HD3 LYS 30 HD1 LYS 30 -19.806 -0.461 -1.437 242 HE2 LYS 30 HE2 LYS 30 -21.380 -0.510 1.135 243 HE3 LYS 30 HE1 LYS 30 -21.950 -1.153 -0.404 244 HZ1 LYS 30 HZ1 LYS 30 -19.715 -2.128 1.275 245 HZ2 LYS 30 HZ2 LYS 30 -19.864 -2.568 -0.352 246 HZ3 LYS 30 HZ3 LYS 30 -21.086 -2.980 0.747 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 15.697 8.922 0.352 2 H2 MET 1 HT2 MET 1 15.871 7.851 1.657 3 H3 MET 1 HT3 MET 1 14.334 8.157 1.012 4 HA MET 1 HA MET 1 14.853 7.088 -1.008 5 HB2 MET 1 HB2 MET 1 17.068 5.963 -1.297 6 HB3 MET 1 HB1 MET 1 17.143 7.717 -1.304 7 HG2 MET 1 HG2 MET 1 17.959 7.718 0.978 8 HG3 MET 1 HG1 MET 1 17.821 5.963 1.046 9 HE1 MET 1 HE1 MET 1 19.366 4.294 -0.325 10 HE2 MET 1 HE2 MET 1 20.529 4.829 -1.540 11 HE3 MET 1 HE3 MET 1 18.803 5.075 -1.803 12 H LYS 2 HN LYS 2 13.367 5.664 -0.482 13 HA LYS 2 HA LYS 2 14.034 3.074 0.303 14 HB2 LYS 2 HB2 LYS 2 14.299 3.945 2.572 15 HB3 LYS 2 HB1 LYS 2 12.713 4.700 2.495 16 HG2 LYS 2 HG2 LYS 2 12.563 2.697 3.803 17 HG3 LYS 2 HG1 LYS 2 11.697 2.450 2.287 18 HD2 LYS 2 HD2 LYS 2 12.879 0.477 2.485 19 HD3 LYS 2 HD1 LYS 2 13.956 1.437 1.474 20 HE2 LYS 2 HE2 LYS 2 14.198 1.125 4.466 21 HE3 LYS 2 HE1 LYS 2 15.135 0.223 3.278 22 HZ1 LYS 2 HZ1 LYS 2 16.414 2.056 4.114 23 HZ2 LYS 2 HZ2 LYS 2 15.196 3.159 3.715 24 HZ3 LYS 2 HZ3 LYS 2 16.042 2.350 2.485 25 HA PRO 3 HA PRO 3 10.021 3.086 -1.706 26 HB2 PRO 3 HB2 PRO 3 9.969 0.482 -2.359 27 HB3 PRO 3 HB1 PRO 3 10.968 1.647 -3.247 28 HG2 PRO 3 HG2 PRO 3 11.765 -0.265 -1.085 29 HG3 PRO 3 HG1 PRO 3 12.572 0.099 -2.615 30 HD2 PRO 3 HD2 PRO 3 13.347 1.192 -0.252 31 HD3 PRO 3 HD1 PRO 3 13.532 2.029 -1.807 32 H TYR 4 HN TYR 4 8.043 1.849 -1.398 33 HA TYR 4 HA TYR 4 7.857 0.624 1.246 34 HB2 TYR 4 HB2 TYR 4 6.048 2.778 0.113 35 HB3 TYR 4 HB1 TYR 4 5.628 1.766 1.496 36 HD1 TYR 4 HD2 TYR 4 7.058 1.845 3.559 37 HD2 TYR 4 HD1 TYR 4 7.509 4.635 0.381 38 HE1 TYR 4 HE2 TYR 4 8.328 3.327 5.052 39 HE2 TYR 4 HE1 TYR 4 8.793 6.117 1.861 40 HH TYR 4 HH TYR 4 10.081 5.132 4.773 41 H VAL 5 HN VAL 5 6.948 -1.269 1.187 42 HA VAL 5 HA VAL 5 5.608 -2.053 -1.291 43 HB VAL 5 HB VAL 5 6.252 -4.327 -0.785 44 HG11 VAL 5 HG11 VAL 5 8.662 -4.114 -1.072 45 HG12 VAL 5 HG12 VAL 5 8.575 -2.432 -0.550 46 HG13 VAL 5 HG13 VAL 5 7.793 -2.931 -2.048 47 HG21 VAL 5 HG21 VAL 5 7.714 -4.876 1.093 48 HG22 VAL 5 HG22 VAL 5 6.174 -4.227 1.660 49 HG23 VAL 5 HG23 VAL 5 7.615 -3.210 1.659 50 H CYS 6 HN CYS 6 3.744 -3.223 -1.256 51 HA CYS 6 HA CYS 6 1.917 -2.664 0.821 52 HB2 CYS 6 HB2 CYS 6 1.236 -2.998 -1.517 53 HB3 CYS 6 HB1 CYS 6 1.697 -4.692 -1.407 54 H ILE 7 HN ILE 7 1.303 -3.758 2.534 55 HA ILE 7 HA ILE 7 2.946 -5.832 3.536 56 HB ILE 7 HB ILE 7 0.373 -4.623 4.585 57 HG12 ILE 7 HG12 ILE 7 2.014 -3.608 6.282 58 HG13 ILE 7 HG11 ILE 7 3.286 -4.077 5.162 59 HG21 ILE 7 HG21 ILE 7 0.938 -5.641 6.728 60 HG22 ILE 7 HG22 ILE 7 2.318 -6.443 5.982 61 HG23 ILE 7 HG23 ILE 7 0.680 -6.852 5.474 62 HD11 ILE 7 HD11 ILE 7 0.991 -2.261 4.459 63 HD12 ILE 7 HD12 ILE 7 2.401 -2.631 3.466 64 HD13 ILE 7 HD13 ILE 7 2.592 -1.714 4.963 65 H HIS 8 HN HIS 8 -0.049 -5.678 1.813 66 HA HIS 8 HA HIS 8 -0.899 -8.297 2.744 67 HB2 HIS 8 HB2 HIS 8 -2.467 -6.299 2.397 68 HB3 HIS 8 HB1 HIS 8 -2.301 -6.621 0.668 69 HD1 HIS 8 HD1 HIS 8 -3.773 -8.013 3.814 70 HD2 HIS 8 HD2 HIS 8 -3.688 -8.859 -0.261 71 HE1 HIS 8 HE1 HIS 8 -5.536 -9.771 3.446 72 HE2 HIS 8 HE2 HIS 8 -5.567 -10.166 0.957 73 H CYS 9 HN CYS 9 -0.004 -6.768 -0.372 74 HA CYS 9 HA CYS 9 -0.072 -9.472 -1.515 75 HB2 CYS 9 HB2 CYS 9 -0.810 -8.541 -3.574 76 HB3 CYS 9 HB1 CYS 9 -1.812 -7.847 -2.311 77 H GLN 10 HN GLN 10 1.996 -7.133 -0.564 78 HA GLN 10 HA GLN 10 4.196 -6.716 -0.820 79 HB2 GLN 10 HB2 GLN 10 4.095 -9.445 -2.098 80 HB3 GLN 10 HB1 GLN 10 5.598 -8.573 -1.787 81 HG2 GLN 10 HG2 GLN 10 5.063 -8.528 0.601 82 HG3 GLN 10 HG1 GLN 10 3.580 -9.424 0.277 83 HE21 GLN 10 HE21 GLN 10 6.563 -10.021 -1.422 84 HE22 GLN 10 HE22 GLN 10 6.867 -11.586 -0.723 85 H ARG 11 HN ARG 11 2.968 -5.177 -2.522 86 HA ARG 11 HA ARG 11 4.528 -5.387 -4.993 87 HB2 ARG 11 HB2 ARG 11 1.924 -3.998 -4.385 88 HB3 ARG 11 HB1 ARG 11 2.881 -3.605 -5.805 89 HG2 ARG 11 HG2 ARG 11 1.713 -6.307 -5.154 90 HG3 ARG 11 HG1 ARG 11 1.076 -5.160 -6.331 91 HD2 ARG 11 HD2 ARG 11 2.298 -6.773 -7.565 92 HD3 ARG 11 HD1 ARG 11 3.299 -5.323 -7.521 93 HE ARG 11 HE ARG 11 3.935 -7.113 -5.392 94 HH11 ARG 11 HH11 ARG 11 4.423 -6.612 -8.829 95 HH12 ARG 11 HH12 ARG 11 5.963 -7.425 -8.847 96 HH21 ARG 11 HH21 ARG 11 5.938 -8.181 -5.422 97 HH22 ARG 11 HH22 ARG 11 6.817 -8.330 -6.910 98 H GLN 12 HN GLN 12 5.806 -3.633 -5.616 99 HA GLN 12 HA GLN 12 6.696 -2.062 -3.341 100 HB2 GLN 12 HB2 GLN 12 7.887 -2.402 -6.095 101 HB3 GLN 12 HB1 GLN 12 8.643 -1.568 -4.752 102 HG2 GLN 12 HG2 GLN 12 8.634 -3.694 -3.485 103 HG3 GLN 12 HG1 GLN 12 7.993 -4.497 -4.915 104 HE21 GLN 12 HE21 GLN 12 10.487 -4.949 -3.483 105 HE22 GLN 12 HE22 GLN 12 11.760 -4.723 -4.654 106 H PHE 13 HN PHE 13 6.254 0.000 -3.060 107 HA PHE 13 HA PHE 13 5.778 1.695 -5.423 108 HB2 PHE 13 HB2 PHE 13 4.310 1.782 -2.772 109 HB3 PHE 13 HB1 PHE 13 4.240 3.075 -3.975 110 HD1 PHE 13 HD2 PHE 13 3.320 -0.400 -3.240 111 HD2 PHE 13 HD1 PHE 13 2.958 2.838 -5.980 112 HE1 PHE 13 HE2 PHE 13 1.470 -1.565 -4.364 113 HE2 PHE 13 HE1 PHE 13 1.106 1.680 -7.104 114 HZ PHE 13 HZ PHE 13 0.429 -0.547 -6.385 115 H ALA 14 HN ALA 14 5.870 4.159 -4.410 116 HA ALA 14 HA ALA 14 8.638 4.235 -3.411 117 HB1 ALA 14 HB1 ALA 14 7.146 6.348 -4.953 118 HB2 ALA 14 HB2 ALA 14 8.232 5.153 -5.665 119 HB3 ALA 14 HB3 ALA 14 8.860 6.356 -4.534 120 H ASP 15 HN ASP 15 5.418 5.511 -2.897 121 HA ASP 15 HA ASP 15 6.456 7.154 -0.670 122 HB2 ASP 15 HB2 ASP 15 5.147 8.151 -2.801 123 HB3 ASP 15 HB1 ASP 15 3.780 7.695 -1.819 124 HA PRO 16 HA PRO 16 3.747 4.846 2.081 125 HB2 PRO 16 HB2 PRO 16 3.572 7.356 3.618 126 HB3 PRO 16 HB1 PRO 16 4.203 5.784 4.118 127 HG2 PRO 16 HG2 PRO 16 5.825 7.886 3.690 128 HG3 PRO 16 HG1 PRO 16 6.320 6.226 3.310 129 HD2 PRO 16 HD2 PRO 16 5.347 8.384 1.472 130 HD3 PRO 16 HD1 PRO 16 6.658 7.207 1.229 131 H GLY 17 HN GLY 17 3.205 7.980 0.716 132 HA2 GLY 17 HA2 GLY 17 0.505 8.415 1.079 133 HA3 GLY 17 HA1 GLY 17 1.414 8.833 -0.378 134 H ALA 18 HN ALA 18 2.061 6.525 -1.497 135 HA ALA 18 HA ALA 18 -0.444 5.756 -2.627 136 HB1 ALA 18 HB1 ALA 18 0.860 4.320 -4.094 137 HB2 ALA 18 HB2 ALA 18 2.305 4.657 -3.140 138 HB3 ALA 18 HB3 ALA 18 1.518 5.957 -4.037 139 H LEU 19 HN LEU 19 1.579 4.456 -0.119 140 HA LEU 19 HA LEU 19 0.586 1.797 -0.319 141 HB2 LEU 19 HB2 LEU 19 2.360 3.290 1.483 142 HB3 LEU 19 HB1 LEU 19 1.401 2.045 2.280 143 HG LEU 19 HG LEU 19 3.627 1.239 1.586 144 HD11 LEU 19 HD11 LEU 19 2.854 -0.809 0.506 145 HD12 LEU 19 HD12 LEU 19 1.321 -0.031 0.117 146 HD13 LEU 19 HD13 LEU 19 1.762 -0.317 1.799 147 HD21 LEU 19 HD21 LEU 19 2.604 1.707 -1.210 148 HD22 LEU 19 HD22 LEU 19 4.110 0.897 -0.775 149 HD23 LEU 19 HD23 LEU 19 3.894 2.611 -0.418 150 H GLN 20 HN GLN 20 -0.337 4.728 1.302 151 HA GLN 20 HA GLN 20 -2.291 3.415 2.847 152 HB2 GLN 20 HB2 GLN 20 -1.932 6.341 2.260 153 HB3 GLN 20 HB1 GLN 20 -3.104 5.709 3.410 154 HG2 GLN 20 HG2 GLN 20 -1.313 4.783 4.758 155 HG3 GLN 20 HG1 GLN 20 -0.123 5.351 3.590 156 HE21 GLN 20 HE21 GLN 20 -1.576 7.859 3.141 157 HE22 GLN 20 HE22 GLN 20 -1.269 8.839 4.534 158 H ARG 21 HN ARG 21 -2.224 5.191 -0.074 159 HA ARG 21 HA ARG 21 -4.988 5.101 -0.708 160 HB2 ARG 21 HB2 ARG 21 -2.883 6.321 -1.818 161 HB3 ARG 21 HB1 ARG 21 -2.927 4.910 -2.857 162 HG2 ARG 21 HG2 ARG 21 -4.144 6.765 -3.852 163 HG3 ARG 21 HG1 ARG 21 -5.226 5.420 -3.487 164 HD2 ARG 21 HD2 ARG 21 -6.158 7.641 -2.887 165 HD3 ARG 21 HD1 ARG 21 -6.040 6.530 -1.523 166 HE ARG 21 HE ARG 21 -3.763 8.282 -1.818 167 HH11 ARG 21 HH11 ARG 21 -6.996 7.995 -0.480 168 HH12 ARG 21 HH12 ARG 21 -6.677 9.082 0.844 169 HH21 ARG 21 HH21 ARG 21 -3.359 9.729 -0.114 170 HH22 ARG 21 HH22 ARG 21 -4.608 10.076 1.041 171 H HIS 22 HN HIS 22 -2.314 2.947 -0.975 172 HA HIS 22 HA HIS 22 -3.420 1.035 -2.750 173 HB2 HIS 22 HB2 HIS 22 -0.996 1.336 -2.018 174 HB3 HIS 22 HB1 HIS 22 -1.429 0.425 -0.585 175 HD1 HIS 22 HD1 HIS 22 -1.277 0.006 -4.357 176 HD2 HIS 22 HD2 HIS 22 -1.442 -2.217 -0.855 177 HE1 HIS 22 HE1 HIS 22 -0.912 -2.405 -5.028 178 H VAL 23 HN VAL 23 -3.301 1.223 0.791 179 HA VAL 23 HA VAL 23 -4.262 -1.386 1.113 180 HB VAL 23 HB VAL 23 -4.308 0.890 3.104 181 HG11 VAL 23 HG11 VAL 23 -5.951 -0.803 3.715 182 HG12 VAL 23 HG12 VAL 23 -4.572 -0.856 4.814 183 HG13 VAL 23 HG13 VAL 23 -4.733 -2.068 3.540 184 HG21 VAL 23 HG21 VAL 23 -2.402 -1.429 2.770 185 HG22 VAL 23 HG22 VAL 23 -2.336 -0.210 4.044 186 HG23 VAL 23 HG23 VAL 23 -2.066 0.255 2.365 187 H ARG 24 HN ARG 24 -5.859 1.758 0.991 188 HA ARG 24 HA ARG 24 -8.454 0.734 1.572 189 HB2 ARG 24 HB2 ARG 24 -9.289 2.899 0.668 190 HB3 ARG 24 HB1 ARG 24 -8.092 3.068 1.940 191 HG2 ARG 24 HG2 ARG 24 -6.417 3.717 0.408 192 HG3 ARG 24 HG1 ARG 24 -7.399 3.235 -0.975 193 HD2 ARG 24 HD2 ARG 24 -7.405 5.647 -0.743 194 HD3 ARG 24 HD1 ARG 24 -9.013 4.998 -0.434 195 HE ARG 24 HE ARG 24 -7.195 5.706 1.781 196 HH11 ARG 24 HH11 ARG 24 -10.269 6.013 0.115 197 HH12 ARG 24 HH12 ARG 24 -10.984 6.998 1.358 198 HH21 ARG 24 HH21 ARG 24 -8.142 6.999 3.412 199 HH22 ARG 24 HH22 ARG 24 -9.793 7.526 3.239 200 H ILE 25 HN ILE 25 -6.469 0.503 -1.159 201 HA ILE 25 HA ILE 25 -8.522 0.128 -3.107 202 HB ILE 25 HB ILE 25 -5.610 -0.635 -3.007 203 HG12 ILE 25 HG12 ILE 25 -7.178 1.245 -4.772 204 HG13 ILE 25 HG11 ILE 25 -6.175 1.705 -3.409 205 HG21 ILE 25 HG21 ILE 25 -7.557 -1.236 -5.212 206 HG22 ILE 25 HG22 ILE 25 -6.687 -2.409 -4.220 207 HG23 ILE 25 HG23 ILE 25 -5.806 -1.365 -5.335 208 HD11 ILE 25 HD11 ILE 25 -5.215 0.397 -5.933 209 HD12 ILE 25 HD12 ILE 25 -4.204 0.848 -4.560 210 HD13 ILE 25 HD13 ILE 25 -5.023 2.096 -5.499 211 H HIS 26 HN HIS 26 -6.693 -1.995 -0.938 212 HA HIS 26 HA HIS 26 -7.722 -4.426 -1.957 213 HB2 HIS 26 HB2 HIS 26 -6.320 -3.673 0.575 214 HB3 HIS 26 HB1 HIS 26 -7.069 -5.255 0.443 215 HD1 HIS 26 HD1 HIS 26 -6.279 -6.078 -2.407 216 HD2 HIS 26 HD2 HIS 26 -3.715 -4.186 0.273 217 HE1 HIS 26 HE1 HIS 26 -3.912 -6.657 -3.140 218 H THR 27 HN THR 27 -8.884 -2.216 0.547 219 HA THR 27 HA THR 27 -11.013 -3.946 1.347 220 HB THR 27 HB THR 27 -11.936 -1.490 2.022 221 HG1 THR 27 HG1 THR 27 -10.407 -0.080 1.687 222 HG21 THR 27 HG21 THR 27 -9.844 -3.115 3.470 223 HG22 THR 27 HG22 THR 27 -11.593 -3.322 3.569 224 HG23 THR 27 HG23 THR 27 -10.840 -1.860 4.203 225 H GLY 28 HN GLY 28 -10.737 -1.204 -0.881 226 HA2 GLY 28 HA2 GLY 28 -11.869 -0.876 -2.875 227 HA3 GLY 28 HA1 GLY 28 -12.781 -2.342 -2.556 228 H GLU 29 HN GLU 29 -13.479 -1.158 0.161 229 HA GLU 29 HA GLU 29 -16.043 -0.305 -0.506 230 HB2 GLU 29 HB2 GLU 29 -14.542 0.115 2.076 231 HB3 GLU 29 HB1 GLU 29 -16.279 0.168 1.867 232 HG2 GLU 29 HG2 GLU 29 -16.211 -2.212 1.161 233 HG3 GLU 29 HG1 GLU 29 -14.498 -2.231 1.583 234 H LYS 30 HN LYS 30 -13.207 1.518 0.533 235 HA LYS 30 HA LYS 30 -14.577 3.983 -0.309 236 HB2 LYS 30 HB2 LYS 30 -14.376 3.725 2.188 237 HB3 LYS 30 HB1 LYS 30 -12.631 3.762 1.991 238 HG2 LYS 30 HG2 LYS 30 -13.463 5.931 2.665 239 HG3 LYS 30 HG1 LYS 30 -12.783 6.007 1.037 240 HD2 LYS 30 HD2 LYS 30 -14.935 6.070 0.043 241 HD3 LYS 30 HD1 LYS 30 -15.730 5.641 1.560 242 HE2 LYS 30 HE2 LYS 30 -14.175 8.180 1.103 243 HE3 LYS 30 HE1 LYS 30 -15.928 8.049 0.962 244 HZ1 LYS 30 HZ1 LYS 30 -14.492 7.284 3.439 245 HZ2 LYS 30 HZ2 LYS 30 -16.147 7.618 3.240 246 HZ3 LYS 30 HZ3 LYS 30 -15.009 8.874 3.159 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 15.638 4.880 -0.718 2 H2 MET 1 HT2 MET 1 14.787 5.130 -2.161 3 H3 MET 1 HT3 MET 1 16.328 5.807 -1.957 4 HA MET 1 HA MET 1 16.456 3.911 -3.390 5 HB2 MET 1 HB2 MET 1 18.346 4.360 -1.888 6 HB3 MET 1 HB1 MET 1 17.600 3.376 -0.638 7 HG2 MET 1 HG2 MET 1 19.380 2.169 -1.756 8 HG3 MET 1 HG1 MET 1 17.820 1.402 -2.041 9 HE1 MET 1 HE1 MET 1 19.106 0.015 -3.969 10 HE2 MET 1 HE2 MET 1 20.590 0.933 -3.715 11 HE3 MET 1 HE3 MET 1 19.919 0.778 -5.338 12 H LYS 2 HN LYS 2 15.708 2.622 -0.121 13 HA LYS 2 HA LYS 2 14.420 0.323 -1.267 14 HB2 LYS 2 HB2 LYS 2 13.959 -0.335 1.037 15 HB3 LYS 2 HB1 LYS 2 15.631 0.174 0.877 16 HG2 LYS 2 HG2 LYS 2 14.926 2.414 1.788 17 HG3 LYS 2 HG1 LYS 2 13.360 1.685 2.147 18 HD2 LYS 2 HD2 LYS 2 16.040 0.800 3.217 19 HD3 LYS 2 HD1 LYS 2 14.788 1.654 4.116 20 HE2 LYS 2 HE2 LYS 2 14.401 -1.052 2.857 21 HE3 LYS 2 HE1 LYS 2 14.896 -0.811 4.530 22 HZ1 LYS 2 HZ1 LYS 2 12.491 -1.195 4.234 23 HZ2 LYS 2 HZ2 LYS 2 12.379 0.252 3.369 24 HZ3 LYS 2 HZ3 LYS 2 12.835 0.278 4.999 25 HA PRO 3 HA PRO 3 10.539 2.451 -1.738 26 HB2 PRO 3 HB2 PRO 3 9.166 0.460 -2.892 27 HB3 PRO 3 HB1 PRO 3 10.469 1.302 -3.750 28 HG2 PRO 3 HG2 PRO 3 10.526 -1.338 -2.340 29 HG3 PRO 3 HG1 PRO 3 11.205 -0.894 -3.914 30 HD2 PRO 3 HD2 PRO 3 12.684 -1.034 -1.620 31 HD3 PRO 3 HD1 PRO 3 13.087 0.028 -2.983 32 H TYR 4 HN TYR 4 8.195 1.935 -1.278 33 HA TYR 4 HA TYR 4 7.991 0.532 1.296 34 HB2 TYR 4 HB2 TYR 4 6.156 2.647 0.084 35 HB3 TYR 4 HB1 TYR 4 5.961 1.879 1.663 36 HD1 TYR 4 HD2 TYR 4 7.431 2.440 3.526 37 HD2 TYR 4 HD1 TYR 4 7.869 4.332 -0.256 38 HE1 TYR 4 HE2 TYR 4 8.830 4.174 4.565 39 HE2 TYR 4 HE1 TYR 4 9.267 6.078 0.773 40 HH TYR 4 HH TYR 4 10.608 5.791 3.857 41 H VAL 5 HN VAL 5 7.316 -1.505 0.987 42 HA VAL 5 HA VAL 5 5.739 -2.086 -1.387 43 HB VAL 5 HB VAL 5 6.267 -4.382 -1.057 44 HG11 VAL 5 HG11 VAL 5 7.985 -3.036 -2.098 45 HG12 VAL 5 HG12 VAL 5 8.708 -4.335 -1.150 46 HG13 VAL 5 HG13 VAL 5 8.691 -2.687 -0.520 47 HG21 VAL 5 HG21 VAL 5 7.564 -5.214 0.848 48 HG22 VAL 5 HG22 VAL 5 6.020 -4.534 1.362 49 HG23 VAL 5 HG23 VAL 5 7.506 -3.610 1.580 50 H CYS 6 HN CYS 6 3.786 -3.044 -1.404 51 HA CYS 6 HA CYS 6 1.924 -2.482 0.570 52 HB2 CYS 6 HB2 CYS 6 1.274 -2.957 -1.728 53 HB3 CYS 6 HB1 CYS 6 1.813 -4.628 -1.561 54 H ILE 7 HN ILE 7 1.221 -3.447 2.327 55 HA ILE 7 HA ILE 7 2.799 -5.480 3.523 56 HB ILE 7 HB ILE 7 0.264 -4.096 4.430 57 HG12 ILE 7 HG12 ILE 7 1.932 -3.040 6.076 58 HG13 ILE 7 HG11 ILE 7 3.186 -3.634 4.996 59 HG21 ILE 7 HG21 ILE 7 0.438 -6.251 5.501 60 HG22 ILE 7 HG22 ILE 7 0.757 -4.959 6.657 61 HG23 ILE 7 HG23 ILE 7 2.094 -5.894 5.990 62 HD11 ILE 7 HD11 ILE 7 2.312 -2.293 3.191 63 HD12 ILE 7 HD12 ILE 7 2.624 -1.281 4.601 64 HD13 ILE 7 HD13 ILE 7 0.972 -1.756 4.203 65 H HIS 8 HN HIS 8 -0.146 -5.414 1.693 66 HA HIS 8 HA HIS 8 -1.045 -7.946 2.835 67 HB2 HIS 8 HB2 HIS 8 -2.612 -5.973 2.393 68 HB3 HIS 8 HB1 HIS 8 -2.477 -6.397 0.684 69 HD1 HIS 8 HD1 HIS 8 -3.651 -8.601 -0.100 70 HD2 HIS 8 HD2 HIS 8 -4.140 -7.731 3.945 71 HE1 HIS 8 HE1 HIS 8 -5.479 -10.120 0.712 72 HE2 HIS 8 HE2 HIS 8 -5.865 -9.472 3.114 73 H CYS 9 HN CYS 9 0.010 -6.663 -0.344 74 HA CYS 9 HA CYS 9 -0.087 -9.447 -1.272 75 HB2 CYS 9 HB2 CYS 9 -0.820 -8.740 -3.400 76 HB3 CYS 9 HB1 CYS 9 -1.843 -7.926 -2.231 77 H GLN 10 HN GLN 10 1.957 -7.052 -0.481 78 HA GLN 10 HA GLN 10 4.143 -6.597 -0.803 79 HB2 GLN 10 HB2 GLN 10 4.130 -9.351 -2.038 80 HB3 GLN 10 HB1 GLN 10 5.589 -8.438 -1.649 81 HG2 GLN 10 HG2 GLN 10 4.863 -8.396 0.723 82 HG3 GLN 10 HG1 GLN 10 3.504 -9.430 0.283 83 HE21 GLN 10 HE21 GLN 10 3.872 -11.567 -0.280 84 HE22 GLN 10 HE22 GLN 10 5.365 -12.371 0.114 85 H ARG 11 HN ARG 11 3.568 -4.893 -2.240 86 HA ARG 11 HA ARG 11 4.697 -5.292 -4.892 87 HB2 ARG 11 HB2 ARG 11 2.139 -5.260 -4.896 88 HB3 ARG 11 HB1 ARG 11 2.282 -3.575 -4.391 89 HG2 ARG 11 HG2 ARG 11 3.256 -2.924 -6.379 90 HG3 ARG 11 HG1 ARG 11 3.656 -4.581 -6.831 91 HD2 ARG 11 HD2 ARG 11 0.887 -3.392 -6.666 92 HD3 ARG 11 HD1 ARG 11 1.769 -3.772 -8.146 93 HE ARG 11 HE ARG 11 1.695 -6.136 -6.766 94 HH11 ARG 11 HH11 ARG 11 -0.720 -3.885 -7.965 95 HH12 ARG 11 HH12 ARG 11 -1.950 -5.106 -8.130 96 HH21 ARG 11 HH21 ARG 11 0.061 -7.720 -6.928 97 HH22 ARG 11 HH22 ARG 11 -1.513 -7.281 -7.530 98 H GLN 12 HN GLN 12 5.970 -3.574 -5.549 99 HA GLN 12 HA GLN 12 6.862 -1.923 -3.359 100 HB2 GLN 12 HB2 GLN 12 7.891 -2.152 -6.185 101 HB3 GLN 12 HB1 GLN 12 8.677 -1.283 -4.883 102 HG2 GLN 12 HG2 GLN 12 8.874 -3.424 -3.645 103 HG3 GLN 12 HG1 GLN 12 8.232 -4.248 -5.066 104 HE21 GLN 12 HE21 GLN 12 10.816 -4.552 -3.780 105 HE22 GLN 12 HE22 GLN 12 12.015 -4.159 -4.985 106 H PHE 13 HN PHE 13 6.267 0.086 -2.993 107 HA PHE 13 HA PHE 13 5.493 1.780 -5.274 108 HB2 PHE 13 HB2 PHE 13 4.164 1.543 -2.579 109 HB3 PHE 13 HB1 PHE 13 3.969 2.976 -3.597 110 HD1 PHE 13 HD1 PHE 13 2.762 2.845 -5.706 111 HD2 PHE 13 HD2 PHE 13 3.153 -0.550 -3.170 112 HE1 PHE 13 HE1 PHE 13 0.940 1.728 -6.922 113 HE2 PHE 13 HE2 PHE 13 1.334 -1.676 -4.387 114 HZ PHE 13 HZ PHE 13 0.298 -0.557 -6.348 115 H ALA 14 HN ALA 14 6.000 3.969 -5.106 116 HA ALA 14 HA ALA 14 8.558 4.457 -3.948 117 HB1 ALA 14 HB1 ALA 14 6.727 6.536 -5.104 118 HB2 ALA 14 HB2 ALA 14 7.636 5.402 -6.114 119 HB3 ALA 14 HB3 ALA 14 8.494 6.531 -5.062 120 H ASP 15 HN ASP 15 5.306 5.240 -2.999 121 HA ASP 15 HA ASP 15 6.348 7.088 -0.955 122 HB2 ASP 15 HB2 ASP 15 3.759 7.315 -2.510 123 HB3 ASP 15 HB1 ASP 15 4.284 8.398 -1.237 124 HA PRO 16 HA PRO 16 4.077 4.602 1.990 125 HB2 PRO 16 HB2 PRO 16 3.959 7.051 3.618 126 HB3 PRO 16 HB1 PRO 16 4.729 5.505 3.980 127 HG2 PRO 16 HG2 PRO 16 6.168 7.712 3.427 128 HG3 PRO 16 HG1 PRO 16 6.705 6.090 2.951 129 HD2 PRO 16 HD2 PRO 16 5.427 8.230 1.293 130 HD3 PRO 16 HD1 PRO 16 6.754 7.116 0.881 131 H GLY 17 HN GLY 17 3.160 7.823 0.951 132 HA2 GLY 17 HA2 GLY 17 0.434 7.727 1.747 133 HA3 GLY 17 HA1 GLY 17 1.117 8.781 0.514 134 H ALA 18 HN ALA 18 2.177 6.340 -0.909 135 HA ALA 18 HA ALA 18 -0.197 5.785 -2.443 136 HB1 ALA 18 HB1 ALA 18 1.892 6.012 -3.632 137 HB2 ALA 18 HB2 ALA 18 1.258 4.373 -3.816 138 HB3 ALA 18 HB3 ALA 18 2.591 4.684 -2.704 139 H LEU 19 HN LEU 19 1.630 4.249 0.102 140 HA LEU 19 HA LEU 19 0.529 1.661 -0.305 141 HB2 LEU 19 HB2 LEU 19 2.046 2.987 1.904 142 HB3 LEU 19 HB1 LEU 19 1.196 1.478 2.228 143 HG LEU 19 HG LEU 19 3.438 1.926 0.265 144 HD11 LEU 19 HD11 LEU 19 4.113 1.644 2.594 145 HD12 LEU 19 HD12 LEU 19 4.562 0.234 1.634 146 HD13 LEU 19 HD13 LEU 19 3.158 0.164 2.698 147 HD21 LEU 19 HD21 LEU 19 1.662 -0.477 0.672 148 HD22 LEU 19 HD22 LEU 19 3.179 -0.496 -0.232 149 HD23 LEU 19 HD23 LEU 19 1.828 0.487 -0.797 150 H GLN 20 HN GLN 20 -0.314 4.529 1.513 151 HA GLN 20 HA GLN 20 -2.400 3.201 2.838 152 HB2 GLN 20 HB2 GLN 20 -3.098 5.370 3.704 153 HB3 GLN 20 HB1 GLN 20 -1.354 5.215 3.793 154 HG2 GLN 20 HG2 GLN 20 -1.243 7.191 2.819 155 HG3 GLN 20 HG1 GLN 20 -1.724 6.367 1.343 156 HE21 GLN 20 HE21 GLN 20 -4.444 5.866 2.550 157 HE22 GLN 20 HE22 GLN 20 -5.258 7.382 2.368 158 H ARG 21 HN ARG 21 -2.127 5.112 0.047 159 HA ARG 21 HA ARG 21 -4.809 5.187 -0.812 160 HB2 ARG 21 HB2 ARG 21 -2.879 6.360 -1.893 161 HB3 ARG 21 HB1 ARG 21 -2.333 4.820 -2.518 162 HG2 ARG 21 HG2 ARG 21 -3.494 5.987 -4.248 163 HG3 ARG 21 HG1 ARG 21 -4.461 4.600 -3.746 164 HD2 ARG 21 HD2 ARG 21 -5.687 6.223 -2.215 165 HD3 ARG 21 HD1 ARG 21 -4.896 7.506 -3.129 166 HE ARG 21 HE ARG 21 -6.546 5.479 -4.477 167 HH11 ARG 21 HH11 ARG 21 -5.728 8.826 -3.863 168 HH12 ARG 21 HH12 ARG 21 -6.976 9.449 -4.904 169 HH21 ARG 21 HH21 ARG 21 -8.141 6.269 -5.859 170 HH22 ARG 21 HH22 ARG 21 -8.344 7.984 -6.071 171 H HIS 22 HN HIS 22 -2.258 2.873 -1.088 172 HA HIS 22 HA HIS 22 -3.512 1.022 -2.813 173 HB2 HIS 22 HB2 HIS 22 -1.056 1.236 -2.153 174 HB3 HIS 22 HB1 HIS 22 -1.469 0.296 -0.739 175 HD1 HIS 22 HD1 HIS 22 -1.648 -0.035 -4.543 176 HD2 HIS 22 HD2 HIS 22 -1.436 -2.316 -1.075 177 HE1 HIS 22 HE1 HIS 22 -1.336 -2.434 -5.287 178 H VAL 23 HN VAL 23 -3.469 1.323 0.707 179 HA VAL 23 HA VAL 23 -4.488 -1.287 1.026 180 HB VAL 23 HB VAL 23 -4.506 0.956 3.063 181 HG11 VAL 23 HG11 VAL 23 -4.857 -2.023 3.406 182 HG12 VAL 23 HG12 VAL 23 -6.103 -0.791 3.626 183 HG13 VAL 23 HG13 VAL 23 -4.720 -0.849 4.719 184 HG21 VAL 23 HG21 VAL 23 -2.502 -0.130 3.962 185 HG22 VAL 23 HG22 VAL 23 -2.247 0.412 2.303 186 HG23 VAL 23 HG23 VAL 23 -2.537 -1.295 2.639 187 H ARG 24 HN ARG 24 -5.870 1.883 0.615 188 HA ARG 24 HA ARG 24 -8.581 1.379 1.150 189 HB2 ARG 24 HB2 ARG 24 -7.568 3.002 -1.188 190 HB3 ARG 24 HB1 ARG 24 -9.077 3.210 -0.319 191 HG2 ARG 24 HG2 ARG 24 -6.486 3.570 1.106 192 HG3 ARG 24 HG1 ARG 24 -7.102 4.844 0.060 193 HD2 ARG 24 HD2 ARG 24 -9.312 4.408 1.460 194 HD3 ARG 24 HD1 ARG 24 -8.146 3.825 2.651 195 HE ARG 24 HE ARG 24 -7.383 6.353 1.577 196 HH11 ARG 24 HH11 ARG 24 -9.443 4.840 3.959 197 HH12 ARG 24 HH12 ARG 24 -9.641 6.290 4.893 198 HH21 ARG 24 HH21 ARG 24 -7.615 8.249 2.798 199 HH22 ARG 24 HH22 ARG 24 -8.591 8.228 4.238 200 H ILE 25 HN ILE 25 -6.515 0.641 -1.564 201 HA ILE 25 HA ILE 25 -8.391 -0.197 -3.451 202 HB ILE 25 HB ILE 25 -5.551 -1.126 -3.019 203 HG12 ILE 25 HG12 ILE 25 -5.949 1.354 -3.316 204 HG13 ILE 25 HG11 ILE 25 -4.865 0.621 -4.489 205 HG21 ILE 25 HG21 ILE 25 -7.321 -1.356 -5.440 206 HG22 ILE 25 HG22 ILE 25 -6.706 -2.677 -4.445 207 HG23 ILE 25 HG23 ILE 25 -5.593 -1.708 -5.411 208 HD11 ILE 25 HD11 ILE 25 -7.764 1.329 -4.915 209 HD12 ILE 25 HD12 ILE 25 -6.722 0.549 -6.105 210 HD13 ILE 25 HD13 ILE 25 -6.362 2.187 -5.561 211 H HIS 26 HN HIS 26 -6.704 -2.004 -0.898 212 HA HIS 26 HA HIS 26 -7.689 -4.534 -1.793 213 HB2 HIS 26 HB2 HIS 26 -6.152 -3.625 0.602 214 HB3 HIS 26 HB1 HIS 26 -6.879 -5.227 0.597 215 HD1 HIS 26 HD1 HIS 26 -6.230 -6.273 -2.171 216 HD2 HIS 26 HD2 HIS 26 -3.579 -4.031 0.129 217 HE1 HIS 26 HE1 HIS 26 -3.895 -6.815 -3.026 218 H THR 27 HN THR 27 -8.494 -2.476 1.022 219 HA THR 27 HA THR 27 -10.938 -4.094 1.259 220 HB THR 27 HB THR 27 -9.313 -4.784 2.985 221 HG1 THR 27 HG1 THR 27 -10.879 -4.146 4.827 222 HG21 THR 27 HG21 THR 27 -8.149 -2.669 3.338 223 HG22 THR 27 HG22 THR 27 -8.804 -3.277 4.858 224 HG23 THR 27 HG23 THR 27 -9.615 -1.959 4.015 225 H GLY 28 HN GLY 28 -9.413 -0.956 1.715 226 HA2 GLY 28 HA2 GLY 28 -10.418 1.107 1.368 227 HA3 GLY 28 HA1 GLY 28 -11.972 0.300 1.239 228 H GLU 29 HN GLU 29 -11.088 -1.028 3.927 229 HA GLU 29 HA GLU 29 -12.598 0.611 5.643 230 HB2 GLU 29 HB2 GLU 29 -10.508 -1.424 6.432 231 HB3 GLU 29 HB1 GLU 29 -11.830 -0.836 7.430 232 HG2 GLU 29 HG2 GLU 29 -13.438 -1.881 5.948 233 HG3 GLU 29 HG1 GLU 29 -12.129 -2.439 4.904 234 H LYS 30 HN LYS 30 -9.133 0.179 5.222 235 HA LYS 30 HA LYS 30 -8.668 2.536 6.910 236 HB2 LYS 30 HB2 LYS 30 -6.800 0.202 6.444 237 HB3 LYS 30 HB1 LYS 30 -6.518 1.566 7.519 238 HG2 LYS 30 HG2 LYS 30 -8.421 0.878 8.893 239 HG3 LYS 30 HG1 LYS 30 -8.691 -0.496 7.822 240 HD2 LYS 30 HD2 LYS 30 -6.469 -1.362 8.382 241 HD3 LYS 30 HD1 LYS 30 -6.208 0.012 9.456 242 HE2 LYS 30 HE2 LYS 30 -8.310 -2.128 9.741 243 HE3 LYS 30 HE1 LYS 30 -6.873 -1.924 10.743 244 HZ1 LYS 30 HZ1 LYS 30 -8.573 -0.966 11.978 245 HZ2 LYS 30 HZ2 LYS 30 -9.301 -0.243 10.630 246 HZ3 LYS 30 HZ3 LYS 30 -7.843 0.376 11.241 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 18.986 2.137 1.029 2 H2 MET 1 HT2 MET 1 18.191 2.857 2.339 3 H3 MET 1 HT3 MET 1 19.103 3.811 1.281 4 HA MET 1 HA MET 1 16.763 4.086 0.862 5 HB2 MET 1 HB2 MET 1 18.309 2.595 -1.263 6 HB3 MET 1 HB1 MET 1 16.765 3.375 -1.567 7 HG2 MET 1 HG2 MET 1 18.495 4.828 -2.310 8 HG3 MET 1 HG1 MET 1 17.778 5.529 -0.862 9 HE1 MET 1 HE1 MET 1 20.392 2.556 -1.180 10 HE2 MET 1 HE2 MET 1 21.903 3.448 -1.003 11 HE3 MET 1 HE3 MET 1 20.881 3.717 -2.415 12 H LYS 2 HN LYS 2 14.842 3.251 1.169 13 HA LYS 2 HA LYS 2 14.341 0.422 0.591 14 HB2 LYS 2 HB2 LYS 2 14.909 0.456 2.956 15 HB3 LYS 2 HB1 LYS 2 13.782 1.775 3.239 16 HG2 LYS 2 HG2 LYS 2 12.770 -0.217 4.034 17 HG3 LYS 2 HG1 LYS 2 11.936 0.239 2.549 18 HD2 LYS 2 HD2 LYS 2 12.323 -2.151 2.576 19 HD3 LYS 2 HD1 LYS 2 13.299 -1.402 1.311 20 HE2 LYS 2 HE2 LYS 2 15.272 -1.538 2.661 21 HE3 LYS 2 HE1 LYS 2 14.337 -2.052 4.063 22 HZ1 LYS 2 HZ1 LYS 2 15.526 -3.872 2.896 23 HZ2 LYS 2 HZ2 LYS 2 14.526 -3.627 1.550 24 HZ3 LYS 2 HZ3 LYS 2 13.859 -4.121 3.028 25 HA PRO 3 HA PRO 3 10.696 2.546 -0.960 26 HB2 PRO 3 HB2 PRO 3 9.649 0.479 -2.306 27 HB3 PRO 3 HB1 PRO 3 11.082 1.336 -2.900 28 HG2 PRO 3 HG2 PRO 3 10.910 -1.262 -1.420 29 HG3 PRO 3 HG1 PRO 3 11.896 -0.839 -2.829 30 HD2 PRO 3 HD2 PRO 3 12.861 -0.863 -0.272 31 HD3 PRO 3 HD1 PRO 3 13.511 0.177 -1.554 32 H TYR 4 HN TYR 4 8.303 1.929 -0.975 33 HA TYR 4 HA TYR 4 7.693 0.692 1.615 34 HB2 TYR 4 HB2 TYR 4 6.024 2.703 0.048 35 HB3 TYR 4 HB1 TYR 4 5.712 2.094 1.677 36 HD1 TYR 4 HD2 TYR 4 7.021 2.853 3.580 37 HD2 TYR 4 HD1 TYR 4 7.787 4.330 -0.334 38 HE1 TYR 4 HE2 TYR 4 8.381 4.665 4.538 39 HE2 TYR 4 HE1 TYR 4 9.152 6.141 0.608 40 HH TYR 4 HH TYR 4 10.193 6.176 3.842 41 H VAL 5 HN VAL 5 6.933 -1.298 1.417 42 HA VAL 5 HA VAL 5 5.738 -2.070 -1.135 43 HB VAL 5 HB VAL 5 6.286 -4.366 -0.531 44 HG11 VAL 5 HG11 VAL 5 8.715 -4.210 -0.669 45 HG12 VAL 5 HG12 VAL 5 8.635 -2.512 -0.199 46 HG13 VAL 5 HG13 VAL 5 7.941 -3.036 -1.735 47 HG21 VAL 5 HG21 VAL 5 6.054 -4.223 1.887 48 HG22 VAL 5 HG22 VAL 5 7.475 -3.183 1.974 49 HG23 VAL 5 HG23 VAL 5 7.640 -4.862 1.456 50 H CYS 6 HN CYS 6 3.862 -3.248 -1.248 51 HA CYS 6 HA CYS 6 1.908 -2.711 0.744 52 HB2 CYS 6 HB2 CYS 6 1.411 -2.982 -1.700 53 HB3 CYS 6 HB1 CYS 6 1.710 -4.705 -1.516 54 H ILE 7 HN ILE 7 1.425 -3.821 2.478 55 HA ILE 7 HA ILE 7 2.950 -6.060 3.278 56 HB ILE 7 HB ILE 7 0.504 -4.759 4.503 57 HG12 ILE 7 HG12 ILE 7 2.296 -3.962 6.178 58 HG13 ILE 7 HG11 ILE 7 3.467 -4.408 4.946 59 HG21 ILE 7 HG21 ILE 7 2.386 -6.764 5.721 60 HG22 ILE 7 HG22 ILE 7 0.711 -7.052 5.257 61 HG23 ILE 7 HG23 ILE 7 1.083 -5.925 6.562 62 HD11 ILE 7 HD11 ILE 7 1.230 -2.442 4.525 63 HD12 ILE 7 HD12 ILE 7 2.558 -2.801 3.419 64 HD13 ILE 7 HD13 ILE 7 2.882 -2.008 4.961 65 H HIS 8 HN HIS 8 -0.029 -5.676 1.582 66 HA HIS 8 HA HIS 8 -1.043 -8.259 2.485 67 HB2 HIS 8 HB2 HIS 8 -2.550 -6.258 2.335 68 HB3 HIS 8 HB1 HIS 8 -2.362 -6.319 0.579 69 HD1 HIS 8 HD1 HIS 8 -3.825 -8.281 3.453 70 HD2 HIS 8 HD2 HIS 8 -3.969 -8.169 -0.708 71 HE1 HIS 8 HE1 HIS 8 -5.704 -9.819 2.792 72 HE2 HIS 8 HE2 HIS 8 -5.849 -9.662 0.280 73 H CYS 9 HN CYS 9 0.112 -6.737 -0.538 74 HA CYS 9 HA CYS 9 -0.184 -9.384 -1.767 75 HB2 CYS 9 HB2 CYS 9 -0.857 -8.385 -3.803 76 HB3 CYS 9 HB1 CYS 9 -1.828 -7.665 -2.536 77 H GLN 10 HN GLN 10 2.043 -7.201 -0.764 78 HA GLN 10 HA GLN 10 4.303 -7.255 -0.838 79 HB2 GLN 10 HB2 GLN 10 3.829 -9.735 -2.490 80 HB3 GLN 10 HB1 GLN 10 5.415 -9.213 -1.920 81 HG2 GLN 10 HG2 GLN 10 4.702 -9.460 0.377 82 HG3 GLN 10 HG1 GLN 10 3.071 -9.877 -0.149 83 HE21 GLN 10 HE21 GLN 10 4.020 -11.473 -2.390 84 HE22 GLN 10 HE22 GLN 10 4.622 -12.957 -1.705 85 H ARG 11 HN ARG 11 3.214 -5.444 -2.531 86 HA ARG 11 HA ARG 11 4.978 -5.580 -4.869 87 HB2 ARG 11 HB2 ARG 11 2.203 -4.543 -4.533 88 HB3 ARG 11 HB1 ARG 11 3.265 -3.737 -5.685 89 HG2 ARG 11 HG2 ARG 11 3.563 -5.774 -6.919 90 HG3 ARG 11 HG1 ARG 11 2.675 -6.689 -5.700 91 HD2 ARG 11 HD2 ARG 11 1.358 -6.146 -7.746 92 HD3 ARG 11 HD1 ARG 11 0.639 -5.575 -6.242 93 HE ARG 11 HE ARG 11 2.279 -3.616 -7.598 94 HH11 ARG 11 HH11 ARG 11 -0.906 -5.056 -7.379 95 HH12 ARG 11 HH12 ARG 11 -1.741 -3.617 -7.894 96 HH21 ARG 11 HH21 ARG 11 1.190 -1.715 -8.295 97 HH22 ARG 11 HH22 ARG 11 -0.545 -1.710 -8.408 98 H GLN 12 HN GLN 12 6.158 -3.709 -5.421 99 HA GLN 12 HA GLN 12 6.835 -2.152 -3.054 100 HB2 GLN 12 HB2 GLN 12 8.224 -2.347 -5.728 101 HB3 GLN 12 HB1 GLN 12 8.856 -1.588 -4.282 102 HG2 GLN 12 HG2 GLN 12 8.978 -3.701 -3.156 103 HG3 GLN 12 HG1 GLN 12 8.201 -4.506 -4.521 104 HE21 GLN 12 HE21 GLN 12 9.919 -5.889 -4.847 105 HE22 GLN 12 HE22 GLN 12 11.441 -5.357 -5.503 106 H PHE 13 HN PHE 13 6.291 -0.074 -2.806 107 HA PHE 13 HA PHE 13 5.679 1.506 -5.220 108 HB2 PHE 13 HB2 PHE 13 4.303 1.637 -2.522 109 HB3 PHE 13 HB1 PHE 13 4.023 2.769 -3.853 110 HD1 PHE 13 HD1 PHE 13 2.945 1.996 -5.916 111 HD2 PHE 13 HD2 PHE 13 3.356 -0.537 -2.528 112 HE1 PHE 13 HE1 PHE 13 1.265 0.474 -6.859 113 HE2 PHE 13 HE2 PHE 13 1.672 -2.069 -3.465 114 HZ PHE 13 HZ PHE 13 0.623 -1.562 -5.631 115 H ALA 14 HN ALA 14 5.839 3.889 -4.784 116 HA ALA 14 HA ALA 14 8.536 4.312 -3.781 117 HB1 ALA 14 HB1 ALA 14 6.739 6.275 -5.189 118 HB2 ALA 14 HB2 ALA 14 7.761 5.099 -6.032 119 HB3 ALA 14 HB3 ALA 14 8.496 6.346 -5.022 120 H ASP 15 HN ASP 15 5.263 5.313 -3.054 121 HA ASP 15 HA ASP 15 6.329 7.275 -1.136 122 HB2 ASP 15 HB2 ASP 15 3.763 7.430 -2.732 123 HB3 ASP 15 HB1 ASP 15 4.316 8.614 -1.567 124 HA PRO 16 HA PRO 16 4.113 5.104 2.065 125 HB2 PRO 16 HB2 PRO 16 3.878 7.795 3.278 126 HB3 PRO 16 HB1 PRO 16 4.589 6.322 3.941 127 HG2 PRO 16 HG2 PRO 16 6.117 8.364 3.131 128 HG3 PRO 16 HG1 PRO 16 6.623 6.678 2.921 129 HD2 PRO 16 HD2 PRO 16 5.532 8.596 0.905 130 HD3 PRO 16 HD1 PRO 16 6.792 7.350 0.723 131 H GLY 17 HN GLY 17 3.038 8.201 0.763 132 HA2 GLY 17 HA2 GLY 17 0.347 8.106 1.560 133 HA3 GLY 17 HA1 GLY 17 0.974 8.982 0.171 134 H ALA 18 HN ALA 18 2.012 6.692 -1.197 135 HA ALA 18 HA ALA 18 -0.336 5.902 -2.579 136 HB1 ALA 18 HB1 ALA 18 1.122 4.403 -3.844 137 HB2 ALA 18 HB2 ALA 18 2.453 4.799 -2.756 138 HB3 ALA 18 HB3 ALA 18 1.746 6.052 -3.779 139 H LEU 19 HN LEU 19 1.592 4.442 -0.028 140 HA LEU 19 HA LEU 19 0.440 1.866 -0.259 141 HB2 LEU 19 HB2 LEU 19 2.194 3.274 1.638 142 HB3 LEU 19 HB1 LEU 19 1.144 2.063 2.377 143 HG LEU 19 HG LEU 19 3.337 1.131 1.825 144 HD11 LEU 19 HD11 LEU 19 1.360 -0.313 1.766 145 HD12 LEU 19 HD12 LEU 19 2.577 -0.823 0.596 146 HD13 LEU 19 HD13 LEU 19 1.147 0.053 0.052 147 HD21 LEU 19 HD21 LEU 19 3.849 2.591 -0.074 148 HD22 LEU 19 HD22 LEU 19 2.625 1.759 -1.035 149 HD23 LEU 19 HD23 LEU 19 4.057 0.887 -0.474 150 H GLN 20 HN GLN 20 -0.427 4.866 1.208 151 HA GLN 20 HA GLN 20 -2.394 3.700 2.840 152 HB2 GLN 20 HB2 GLN 20 -2.254 6.587 2.014 153 HB3 GLN 20 HB1 GLN 20 -3.099 5.937 3.412 154 HG2 GLN 20 HG2 GLN 20 -0.114 5.887 3.029 155 HG3 GLN 20 HG1 GLN 20 -0.992 7.079 3.981 156 HE21 GLN 20 HE21 GLN 20 0.190 6.500 5.815 157 HE22 GLN 20 HE22 GLN 20 -0.147 5.039 6.686 158 H ARG 21 HN ARG 21 -2.327 5.276 -0.193 159 HA ARG 21 HA ARG 21 -5.117 5.153 -0.732 160 HB2 ARG 21 HB2 ARG 21 -2.701 5.929 -2.140 161 HB3 ARG 21 HB1 ARG 21 -3.776 5.014 -3.186 162 HG2 ARG 21 HG2 ARG 21 -4.236 7.362 -3.411 163 HG3 ARG 21 HG1 ARG 21 -5.602 6.570 -2.621 164 HD2 ARG 21 HD2 ARG 21 -4.595 7.284 -0.424 165 HD3 ARG 21 HD1 ARG 21 -3.467 8.273 -1.354 166 HE ARG 21 HE ARG 21 -6.352 8.637 -1.728 167 HH11 ARG 21 HH11 ARG 21 -3.246 9.902 -0.714 168 HH12 ARG 21 HH12 ARG 21 -3.830 11.522 -0.523 169 HH21 ARG 21 HH21 ARG 21 -7.119 10.757 -1.494 170 HH22 ARG 21 HH22 ARG 21 -6.038 12.021 -0.989 171 H HIS 22 HN HIS 22 -2.407 3.012 -1.029 172 HA HIS 22 HA HIS 22 -3.610 1.174 -2.859 173 HB2 HIS 22 HB2 HIS 22 -1.141 1.458 -2.355 174 HB3 HIS 22 HB1 HIS 22 -1.426 0.528 -0.899 175 HD1 HIS 22 HD1 HIS 22 -2.011 0.086 -4.663 176 HD2 HIS 22 HD2 HIS 22 -1.122 -2.060 -1.216 177 HE1 HIS 22 HE1 HIS 22 -1.673 -2.314 -5.387 178 H VAL 23 HN VAL 23 -3.195 1.230 0.659 179 HA VAL 23 HA VAL 23 -4.165 -1.381 0.961 180 HB VAL 23 HB VAL 23 -3.955 0.837 3.005 181 HG11 VAL 23 HG11 VAL 23 -4.203 -0.919 4.709 182 HG12 VAL 23 HG12 VAL 23 -4.542 -2.095 3.439 183 HG13 VAL 23 HG13 VAL 23 -5.656 -0.758 3.723 184 HG21 VAL 23 HG21 VAL 23 -2.239 -1.588 2.471 185 HG22 VAL 23 HG22 VAL 23 -1.989 -0.416 3.762 186 HG23 VAL 23 HG23 VAL 23 -1.828 0.081 2.077 187 H ARG 24 HN ARG 24 -5.677 1.780 0.936 188 HA ARG 24 HA ARG 24 -8.266 1.027 1.705 189 HB2 ARG 24 HB2 ARG 24 -7.406 3.199 -0.212 190 HB3 ARG 24 HB1 ARG 24 -9.003 3.059 0.510 191 HG2 ARG 24 HG2 ARG 24 -8.006 3.305 2.732 192 HG3 ARG 24 HG1 ARG 24 -6.421 3.479 1.991 193 HD2 ARG 24 HD2 ARG 24 -7.399 5.648 2.588 194 HD3 ARG 24 HD1 ARG 24 -7.128 5.492 0.854 195 HE ARG 24 HE ARG 24 -9.621 4.867 0.827 196 HH11 ARG 24 HH11 ARG 24 -8.184 7.128 3.092 197 HH12 ARG 24 HH12 ARG 24 -9.621 8.096 3.225 198 HH21 ARG 24 HH21 ARG 24 -11.510 6.110 1.032 199 HH22 ARG 24 HH22 ARG 24 -11.517 7.502 2.072 200 H ILE 25 HN ILE 25 -6.550 0.671 -1.325 201 HA ILE 25 HA ILE 25 -8.731 0.017 -2.976 202 HB ILE 25 HB ILE 25 -5.821 -0.768 -3.104 203 HG12 ILE 25 HG12 ILE 25 -6.176 1.580 -3.436 204 HG13 ILE 25 HG11 ILE 25 -5.789 0.856 -4.983 205 HG21 ILE 25 HG21 ILE 25 -7.028 -2.462 -4.270 206 HG22 ILE 25 HG22 ILE 25 -6.250 -1.395 -5.439 207 HG23 ILE 25 HG23 ILE 25 -7.978 -1.249 -5.128 208 HD11 ILE 25 HD11 ILE 25 -8.543 1.608 -4.031 209 HD12 ILE 25 HD12 ILE 25 -8.146 0.895 -5.595 210 HD13 ILE 25 HD13 ILE 25 -7.561 2.510 -5.187 211 H HIS 26 HN HIS 26 -6.566 -2.011 -1.005 212 HA HIS 26 HA HIS 26 -7.821 -4.468 -1.638 213 HB2 HIS 26 HB2 HIS 26 -6.084 -3.598 0.655 214 HB3 HIS 26 HB1 HIS 26 -6.792 -5.204 0.609 215 HD1 HIS 26 HD1 HIS 26 -6.277 -5.947 -2.364 216 HD2 HIS 26 HD2 HIS 26 -3.512 -4.099 0.140 217 HE1 HIS 26 HE1 HIS 26 -3.967 -6.493 -3.302 218 H THR 27 HN THR 27 -8.567 -1.929 0.596 219 HA THR 27 HA THR 27 -10.523 -3.593 1.977 220 HB THR 27 HB THR 27 -10.109 -0.669 2.537 221 HG1 THR 27 HG1 THR 27 -8.026 -1.788 2.521 222 HG21 THR 27 HG21 THR 27 -10.727 -1.361 4.805 223 HG22 THR 27 HG22 THR 27 -10.812 -3.041 4.275 224 HG23 THR 27 HG23 THR 27 -11.960 -1.860 3.645 225 H GLY 28 HN GLY 28 -10.712 -2.692 -0.874 226 HA2 GLY 28 HA2 GLY 28 -12.985 -0.939 -0.984 227 HA3 GLY 28 HA1 GLY 28 -12.335 -1.899 -2.310 228 H GLU 29 HN GLU 29 -13.977 -2.369 0.796 229 HA GLU 29 HA GLU 29 -15.098 -4.879 0.014 230 HB2 GLU 29 HB2 GLU 29 -15.698 -3.074 2.364 231 HB3 GLU 29 HB1 GLU 29 -16.328 -4.702 2.172 232 HG2 GLU 29 HG2 GLU 29 -14.027 -5.568 2.168 233 HG3 GLU 29 HG1 GLU 29 -13.434 -3.931 2.442 234 H LYS 30 HN LYS 30 -15.914 -1.716 -0.668 235 HA LYS 30 HA LYS 30 -18.653 -2.519 -1.375 236 HB2 LYS 30 HB2 LYS 30 -18.493 -0.612 0.229 237 HB3 LYS 30 HB1 LYS 30 -17.584 0.287 -0.979 238 HG2 LYS 30 HG2 LYS 30 -19.517 0.197 -2.483 239 HG3 LYS 30 HG1 LYS 30 -20.427 -0.673 -1.248 240 HD2 LYS 30 HD2 LYS 30 -19.291 2.111 -0.985 241 HD3 LYS 30 HD1 LYS 30 -20.987 1.705 -1.252 242 HE2 LYS 30 HE2 LYS 30 -19.344 0.916 1.154 243 HE3 LYS 30 HE1 LYS 30 -20.516 2.232 1.102 244 HZ1 LYS 30 HZ1 LYS 30 -21.394 0.173 2.093 245 HZ2 LYS 30 HZ2 LYS 30 -21.177 -0.627 0.614 246 HZ3 LYS 30 HZ3 LYS 30 -22.273 0.662 0.729 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 14.151 -5.639 0.426 2 H2 MET 1 HT2 MET 1 14.133 -5.587 -1.270 3 H3 MET 1 HT3 MET 1 12.933 -6.442 -0.436 4 HA MET 1 HA MET 1 12.133 -4.325 -1.288 5 HB2 MET 1 HB2 MET 1 11.107 -3.539 0.791 6 HB3 MET 1 HB1 MET 1 11.089 -5.292 0.700 7 HG2 MET 1 HG2 MET 1 11.686 -4.934 2.881 8 HG3 MET 1 HG1 MET 1 13.254 -5.142 2.108 9 HE1 MET 1 HE1 MET 1 14.506 -4.047 4.156 10 HE2 MET 1 HE2 MET 1 12.956 -3.883 4.983 11 HE3 MET 1 HE3 MET 1 14.048 -2.501 4.874 12 H LYS 2 HN LYS 2 12.059 -1.990 -0.873 13 HA LYS 2 HA LYS 2 14.339 -0.728 0.341 14 HB2 LYS 2 HB2 LYS 2 15.246 -1.353 -1.884 15 HB3 LYS 2 HB1 LYS 2 13.944 -0.451 -2.650 16 HG2 LYS 2 HG2 LYS 2 15.925 0.878 -2.685 17 HG3 LYS 2 HG1 LYS 2 14.785 1.602 -1.550 18 HD2 LYS 2 HD2 LYS 2 15.999 0.492 0.304 19 HD3 LYS 2 HD1 LYS 2 17.174 -0.113 -0.865 20 HE2 LYS 2 HE2 LYS 2 18.059 1.863 0.185 21 HE3 LYS 2 HE1 LYS 2 17.681 2.231 -1.497 22 HZ1 LYS 2 HZ1 LYS 2 15.996 2.907 0.854 23 HZ2 LYS 2 HZ2 LYS 2 15.613 3.257 -0.764 24 HZ3 LYS 2 HZ3 LYS 2 16.950 3.997 -0.028 25 HA PRO 3 HA PRO 3 10.918 2.419 -0.713 26 HB2 PRO 3 HB2 PRO 3 9.002 1.897 -2.491 27 HB3 PRO 3 HB1 PRO 3 10.610 2.418 -3.023 28 HG2 PRO 3 HG2 PRO 3 9.428 -0.327 -2.969 29 HG3 PRO 3 HG1 PRO 3 10.427 0.438 -4.217 30 HD2 PRO 3 HD2 PRO 3 11.377 -1.307 -2.296 31 HD3 PRO 3 HD1 PRO 3 12.371 -0.123 -3.164 32 H TYR 4 HN TYR 4 8.314 2.474 -0.550 33 HA TYR 4 HA TYR 4 7.688 0.722 1.641 34 HB2 TYR 4 HB2 TYR 4 6.020 2.848 0.241 35 HB3 TYR 4 HB1 TYR 4 5.499 1.933 1.663 36 HD1 TYR 4 HD1 TYR 4 8.068 4.327 0.466 37 HD2 TYR 4 HD2 TYR 4 6.160 2.556 3.826 38 HE1 TYR 4 HE1 TYR 4 9.196 5.936 1.943 39 HE2 TYR 4 HE2 TYR 4 7.282 4.159 5.315 40 HH TYR 4 HH TYR 4 8.879 6.928 4.171 41 H VAL 5 HN VAL 5 6.716 -1.186 1.493 42 HA VAL 5 HA VAL 5 5.606 -1.920 -1.119 43 HB VAL 5 HB VAL 5 6.291 -4.176 -0.710 44 HG11 VAL 5 HG11 VAL 5 8.533 -2.260 -0.102 45 HG12 VAL 5 HG12 VAL 5 7.946 -2.711 -1.702 46 HG13 VAL 5 HG13 VAL 5 8.732 -3.915 -0.680 47 HG21 VAL 5 HG21 VAL 5 5.937 -4.265 1.712 48 HG22 VAL 5 HG22 VAL 5 7.357 -3.246 1.956 49 HG23 VAL 5 HG23 VAL 5 7.539 -4.863 1.276 50 H CYS 6 HN CYS 6 3.732 -3.120 -1.211 51 HA CYS 6 HA CYS 6 1.849 -2.723 0.862 52 HB2 CYS 6 HB2 CYS 6 1.175 -2.899 -1.485 53 HB3 CYS 6 HB1 CYS 6 1.722 -4.568 -1.523 54 H ILE 7 HN ILE 7 1.382 -3.889 2.546 55 HA ILE 7 HA ILE 7 2.994 -6.107 3.288 56 HB ILE 7 HB ILE 7 0.591 -4.779 4.573 57 HG12 ILE 7 HG12 ILE 7 2.391 -4.088 6.255 58 HG13 ILE 7 HG11 ILE 7 3.568 -4.622 5.059 59 HG21 ILE 7 HG21 ILE 7 0.629 -7.070 5.294 60 HG22 ILE 7 HG22 ILE 7 1.170 -6.032 6.614 61 HG23 ILE 7 HG23 ILE 7 2.345 -6.960 5.681 62 HD11 ILE 7 HD11 ILE 7 1.504 -2.468 4.667 63 HD12 ILE 7 HD12 ILE 7 2.682 -2.999 3.466 64 HD13 ILE 7 HD13 ILE 7 3.227 -2.222 4.955 65 H HIS 8 HN HIS 8 -0.079 -5.659 1.779 66 HA HIS 8 HA HIS 8 -1.075 -8.258 2.582 67 HB2 HIS 8 HB2 HIS 8 -2.440 -6.070 2.295 68 HB3 HIS 8 HB1 HIS 8 -2.425 -6.479 0.578 69 HD1 HIS 8 HD1 HIS 8 -4.140 -7.193 3.719 70 HD2 HIS 8 HD2 HIS 8 -3.732 -9.028 0.009 71 HE1 HIS 8 HE1 HIS 8 -6.002 -8.881 3.587 72 HE2 HIS 8 HE2 HIS 8 -5.799 -9.911 1.289 73 H CYS 9 HN CYS 9 0.001 -6.719 -0.484 74 HA CYS 9 HA CYS 9 -0.185 -9.403 -1.650 75 HB2 CYS 9 HB2 CYS 9 -0.927 -8.500 -3.701 76 HB3 CYS 9 HB1 CYS 9 -1.930 -7.802 -2.444 77 H GLN 10 HN GLN 10 1.947 -7.094 -0.744 78 HA GLN 10 HA GLN 10 4.197 -6.973 -0.911 79 HB2 GLN 10 HB2 GLN 10 3.898 -9.481 -2.569 80 HB3 GLN 10 HB1 GLN 10 5.430 -8.839 -1.975 81 HG2 GLN 10 HG2 GLN 10 4.774 -9.198 0.296 82 HG3 GLN 10 HG1 GLN 10 3.139 -9.640 -0.195 83 HE21 GLN 10 HE21 GLN 10 6.461 -10.651 -0.029 84 HE22 GLN 10 HE22 GLN 10 6.170 -12.337 -0.360 85 H ARG 11 HN ARG 11 3.027 -5.192 -2.464 86 HA ARG 11 HA ARG 11 4.547 -5.234 -4.967 87 HB2 ARG 11 HB2 ARG 11 1.964 -3.826 -4.267 88 HB3 ARG 11 HB1 ARG 11 2.853 -3.568 -5.758 89 HG2 ARG 11 HG2 ARG 11 1.734 -6.222 -4.885 90 HG3 ARG 11 HG1 ARG 11 0.907 -5.103 -5.966 91 HD2 ARG 11 HD2 ARG 11 1.942 -6.723 -7.342 92 HD3 ARG 11 HD1 ARG 11 2.914 -5.261 -7.483 93 HE ARG 11 HE ARG 11 4.233 -6.572 -5.570 94 HH11 ARG 11 HH11 ARG 11 2.902 -7.756 -8.580 95 HH12 ARG 11 HH12 ARG 11 4.171 -8.913 -8.831 96 HH21 ARG 11 HH21 ARG 11 5.888 -8.106 -5.870 97 HH22 ARG 11 HH22 ARG 11 5.871 -9.133 -7.272 98 H GLN 12 HN GLN 12 5.939 -3.514 -5.345 99 HA GLN 12 HA GLN 12 6.525 -1.934 -2.962 100 HB2 GLN 12 HB2 GLN 12 8.142 -2.159 -5.497 101 HB3 GLN 12 HB1 GLN 12 8.680 -1.571 -3.936 102 HG2 GLN 12 HG2 GLN 12 8.113 -3.927 -3.084 103 HG3 GLN 12 HG1 GLN 12 8.122 -4.374 -4.790 104 HE21 GLN 12 HE21 GLN 12 10.074 -4.222 -5.962 105 HE22 GLN 12 HE22 GLN 12 11.613 -4.140 -5.152 106 H PHE 13 HN PHE 13 6.239 0.219 -2.824 107 HA PHE 13 HA PHE 13 5.820 1.746 -5.302 108 HB2 PHE 13 HB2 PHE 13 3.972 1.641 -2.925 109 HB3 PHE 13 HB1 PHE 13 4.034 3.062 -3.973 110 HD1 PHE 13 HD2 PHE 13 3.174 -0.509 -3.801 111 HD2 PHE 13 HD1 PHE 13 3.141 3.020 -6.176 112 HE1 PHE 13 HE2 PHE 13 1.648 -1.596 -5.398 113 HE2 PHE 13 HE1 PHE 13 1.614 1.944 -7.772 114 HZ PHE 13 HZ PHE 13 0.865 -0.371 -7.385 115 H ALA 14 HN ALA 14 6.264 3.924 -5.181 116 HA ALA 14 HA ALA 14 8.716 4.424 -3.927 117 HB1 ALA 14 HB1 ALA 14 7.860 5.385 -6.086 118 HB2 ALA 14 HB2 ALA 14 8.672 6.521 -5.008 119 HB3 ALA 14 HB3 ALA 14 6.910 6.510 -5.107 120 H ASP 15 HN ASP 15 5.462 5.340 -2.992 121 HA ASP 15 HA ASP 15 6.591 6.958 -0.814 122 HB2 ASP 15 HB2 ASP 15 4.273 7.697 -2.613 123 HB3 ASP 15 HB1 ASP 15 4.726 8.566 -1.163 124 HA PRO 16 HA PRO 16 3.903 4.634 1.808 125 HB2 PRO 16 HB2 PRO 16 3.621 6.466 3.823 126 HB3 PRO 16 HB1 PRO 16 5.051 5.446 3.620 127 HG2 PRO 16 HG2 PRO 16 4.620 8.293 2.819 128 HG3 PRO 16 HG1 PRO 16 6.053 7.533 3.536 129 HD2 PRO 16 HD2 PRO 16 5.887 8.094 0.898 130 HD3 PRO 16 HD1 PRO 16 6.768 6.678 1.511 131 H GLY 17 HN GLY 17 3.157 7.897 0.783 132 HA2 GLY 17 HA2 GLY 17 0.451 8.019 1.485 133 HA3 GLY 17 HA1 GLY 17 1.179 8.830 0.101 134 H ALA 18 HN ALA 18 2.032 6.629 -1.360 135 HA ALA 18 HA ALA 18 -0.390 5.848 -2.618 136 HB1 ALA 18 HB1 ALA 18 2.406 4.830 -3.043 137 HB2 ALA 18 HB2 ALA 18 1.607 6.119 -3.944 138 HB3 ALA 18 HB3 ALA 18 1.014 4.460 -4.058 139 H LEU 19 HN LEU 19 1.568 4.461 -0.111 140 HA LEU 19 HA LEU 19 0.458 1.843 -0.357 141 HB2 LEU 19 HB2 LEU 19 2.270 3.237 1.510 142 HB3 LEU 19 HB1 LEU 19 1.278 1.973 2.232 143 HG LEU 19 HG LEU 19 3.469 1.115 1.553 144 HD11 LEU 19 HD11 LEU 19 2.692 -0.796 0.255 145 HD12 LEU 19 HD12 LEU 19 1.214 0.075 -0.156 146 HD13 LEU 19 HD13 LEU 19 1.537 -0.377 1.518 147 HD21 LEU 19 HD21 LEU 19 3.858 2.670 -0.315 148 HD22 LEU 19 HD22 LEU 19 2.628 1.822 -1.254 149 HD23 LEU 19 HD23 LEU 19 4.109 0.985 -0.774 150 H GLN 20 HN GLN 20 -0.372 4.837 1.136 151 HA GLN 20 HA GLN 20 -2.384 3.724 2.755 152 HB2 GLN 20 HB2 GLN 20 -2.106 6.566 1.804 153 HB3 GLN 20 HB1 GLN 20 -3.170 6.030 3.096 154 HG2 GLN 20 HG2 GLN 20 -1.269 5.409 4.452 155 HG3 GLN 20 HG1 GLN 20 -0.168 5.834 3.141 156 HE21 GLN 20 HE21 GLN 20 0.897 7.372 4.372 157 HE22 GLN 20 HE22 GLN 20 0.182 8.901 4.771 158 H ARG 21 HN ARG 21 -2.263 5.278 -0.298 159 HA ARG 21 HA ARG 21 -4.961 5.033 -1.062 160 HB2 ARG 21 HB2 ARG 21 -2.361 5.355 -2.461 161 HB3 ARG 21 HB1 ARG 21 -3.689 4.725 -3.414 162 HG2 ARG 21 HG2 ARG 21 -3.698 7.030 -3.789 163 HG3 ARG 21 HG1 ARG 21 -5.008 6.755 -2.643 164 HD2 ARG 21 HD2 ARG 21 -2.280 7.461 -1.648 165 HD3 ARG 21 HD1 ARG 21 -3.332 8.721 -2.285 166 HE ARG 21 HE ARG 21 -4.815 7.285 -0.425 167 HH11 ARG 21 HH11 ARG 21 -1.950 9.288 -0.493 168 HH12 ARG 21 HH12 ARG 21 -2.174 9.905 1.119 169 HH21 ARG 21 HH21 ARG 21 -5.147 8.114 1.707 170 HH22 ARG 21 HH22 ARG 21 -4.000 9.249 2.362 171 H HIS 22 HN HIS 22 -2.240 2.889 -1.059 172 HA HIS 22 HA HIS 22 -3.267 0.866 -2.756 173 HB2 HIS 22 HB2 HIS 22 -0.864 1.294 -1.883 174 HB3 HIS 22 HB1 HIS 22 -1.359 0.314 -0.512 175 HD1 HIS 22 HD1 HIS 22 -0.588 0.073 -4.188 176 HD2 HIS 22 HD2 HIS 22 -1.634 -2.356 -0.985 177 HE1 HIS 22 HE1 HIS 22 -0.197 -2.314 -4.943 178 H VAL 23 HN VAL 23 -3.172 1.183 0.779 179 HA VAL 23 HA VAL 23 -4.164 -1.410 1.161 180 HB VAL 23 HB VAL 23 -4.110 0.881 3.132 181 HG11 VAL 23 HG11 VAL 23 -4.606 -2.060 3.583 182 HG12 VAL 23 HG12 VAL 23 -5.768 -0.752 3.813 183 HG13 VAL 23 HG13 VAL 23 -4.350 -0.866 4.855 184 HG21 VAL 23 HG21 VAL 23 -2.256 -1.474 2.754 185 HG22 VAL 23 HG22 VAL 23 -2.128 -0.254 4.023 186 HG23 VAL 23 HG23 VAL 23 -1.901 0.203 2.335 187 H ARG 24 HN ARG 24 -5.745 1.750 0.946 188 HA ARG 24 HA ARG 24 -8.335 0.750 1.619 189 HB2 ARG 24 HB2 ARG 24 -9.203 2.870 0.615 190 HB3 ARG 24 HB1 ARG 24 -8.021 3.098 1.892 191 HG2 ARG 24 HG2 ARG 24 -6.445 3.945 0.474 192 HG3 ARG 24 HG1 ARG 24 -7.076 3.073 -0.924 193 HD2 ARG 24 HD2 ARG 24 -7.407 5.646 -0.761 194 HD3 ARG 24 HD1 ARG 24 -8.734 4.632 -1.317 195 HE ARG 24 HE ARG 24 -9.286 4.781 1.275 196 HH11 ARG 24 HH11 ARG 24 -8.270 7.346 -0.903 197 HH12 ARG 24 HH12 ARG 24 -9.240 8.555 -0.116 198 HH21 ARG 24 HH21 ARG 24 -10.522 6.371 2.305 199 HH22 ARG 24 HH22 ARG 24 -10.523 8.007 1.703 200 H ILE 25 HN ILE 25 -6.407 0.372 -1.127 201 HA ILE 25 HA ILE 25 -8.536 -0.014 -2.997 202 HB ILE 25 HB ILE 25 -5.636 -0.838 -3.002 203 HG12 ILE 25 HG12 ILE 25 -5.999 1.504 -3.375 204 HG13 ILE 25 HG11 ILE 25 -5.513 0.763 -4.887 205 HG21 ILE 25 HG21 ILE 25 -6.818 -2.549 -4.198 206 HG22 ILE 25 HG22 ILE 25 -5.936 -1.523 -5.327 207 HG23 ILE 25 HG23 ILE 25 -7.678 -1.332 -5.141 208 HD11 ILE 25 HD11 ILE 25 -7.274 2.378 -5.250 209 HD12 ILE 25 HD12 ILE 25 -8.314 1.535 -4.104 210 HD13 ILE 25 HD13 ILE 25 -7.850 0.753 -5.615 211 H HIS 26 HN HIS 26 -6.582 -2.117 -0.900 212 HA HIS 26 HA HIS 26 -7.910 -4.527 -1.665 213 HB2 HIS 26 HB2 HIS 26 -6.255 -3.805 0.749 214 HB3 HIS 26 HB1 HIS 26 -6.990 -5.386 0.559 215 HD1 HIS 26 HD1 HIS 26 -6.314 -6.141 -2.294 216 HD2 HIS 26 HD2 HIS 26 -3.679 -4.148 0.248 217 HE1 HIS 26 HE1 HIS 26 -3.967 -6.660 -3.130 218 H THR 27 HN THR 27 -8.181 -2.397 1.161 219 HA THR 27 HA THR 27 -10.605 -3.794 1.974 220 HB THR 27 HB THR 27 -8.805 -3.266 3.647 221 HG1 THR 27 HG1 THR 27 -10.974 -1.875 4.661 222 HG21 THR 27 HG21 THR 27 -9.809 -0.431 3.402 223 HG22 THR 27 HG22 THR 27 -8.233 -1.003 2.842 224 HG23 THR 27 HG23 THR 27 -8.622 -1.031 4.562 225 H GLY 28 HN GLY 28 -11.159 -2.735 -0.303 226 HA2 GLY 28 HA2 GLY 28 -11.890 0.005 -0.378 227 HA3 GLY 28 HA1 GLY 28 -12.391 -1.232 -1.519 228 H GLU 29 HN GLU 29 -12.968 -0.703 1.931 229 HA GLU 29 HA GLU 29 -15.732 -1.364 1.792 230 HB2 GLU 29 HB2 GLU 29 -14.008 -0.082 3.910 231 HB3 GLU 29 HB1 GLU 29 -15.666 -0.581 4.163 232 HG2 GLU 29 HG2 GLU 29 -13.324 -2.341 3.518 233 HG3 GLU 29 HG1 GLU 29 -14.211 -2.253 5.037 234 H LYS 30 HN LYS 30 -13.789 1.505 1.702 235 HA LYS 30 HA LYS 30 -16.080 3.065 0.843 236 HB2 LYS 30 HB2 LYS 30 -15.929 3.511 3.258 237 HB3 LYS 30 HB1 LYS 30 -14.236 3.954 3.075 238 HG2 LYS 30 HG2 LYS 30 -15.606 5.935 3.240 239 HG3 LYS 30 HG1 LYS 30 -14.890 5.826 1.632 240 HD2 LYS 30 HD2 LYS 30 -17.021 4.850 0.809 241 HD3 LYS 30 HD1 LYS 30 -17.721 5.119 2.406 242 HE2 LYS 30 HE2 LYS 30 -16.668 7.219 0.515 243 HE3 LYS 30 HE1 LYS 30 -18.356 6.915 0.915 244 HZ1 LYS 30 HZ1 LYS 30 -17.752 7.469 3.263 245 HZ2 LYS 30 HZ2 LYS 30 -17.656 8.766 2.176 246 HZ3 LYS 30 HZ3 LYS 30 -16.240 7.995 2.693 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 14.742 -2.948 2.648 2 H2 MET 1 HT2 MET 1 14.506 -1.483 3.464 3 H3 MET 1 HT3 MET 1 15.656 -1.583 2.223 4 HA MET 1 HA MET 1 13.949 -1.962 0.597 5 HB2 MET 1 HB2 MET 1 12.156 -1.772 3.018 6 HB3 MET 1 HB1 MET 1 11.558 -1.547 1.380 7 HG2 MET 1 HG2 MET 1 12.937 -4.023 2.381 8 HG3 MET 1 HG1 MET 1 11.191 -3.818 2.251 9 HE1 MET 1 HE1 MET 1 12.911 -6.206 0.900 10 HE2 MET 1 HE2 MET 1 12.092 -6.321 -0.659 11 HE3 MET 1 HE3 MET 1 11.152 -6.084 0.814 12 H LYS 2 HN LYS 2 14.381 -0.156 -0.461 13 HA LYS 2 HA LYS 2 14.409 2.423 0.737 14 HB2 LYS 2 HB2 LYS 2 15.787 2.034 -1.203 15 HB3 LYS 2 HB1 LYS 2 14.385 1.588 -2.169 16 HG2 LYS 2 HG2 LYS 2 13.525 3.879 -1.948 17 HG3 LYS 2 HG1 LYS 2 14.965 4.315 -1.028 18 HD2 LYS 2 HD2 LYS 2 16.360 3.744 -2.963 19 HD3 LYS 2 HD1 LYS 2 14.909 3.329 -3.877 20 HE2 LYS 2 HE2 LYS 2 15.685 5.571 -4.442 21 HE3 LYS 2 HE1 LYS 2 14.106 5.624 -3.659 22 HZ1 LYS 2 HZ1 LYS 2 16.707 6.152 -2.318 23 HZ2 LYS 2 HZ2 LYS 2 15.179 6.241 -1.587 24 HZ3 LYS 2 HZ3 LYS 2 15.597 7.335 -2.812 25 HA PRO 3 HA PRO 3 10.154 3.140 -1.269 26 HB2 PRO 3 HB2 PRO 3 8.891 1.231 -2.650 27 HB3 PRO 3 HB1 PRO 3 10.162 2.217 -3.401 28 HG2 PRO 3 HG2 PRO 3 10.316 -0.563 -2.299 29 HG3 PRO 3 HG1 PRO 3 11.011 0.091 -3.793 30 HD2 PRO 3 HD2 PRO 3 12.419 -0.253 -1.464 31 HD3 PRO 3 HD1 PRO 3 12.840 0.935 -2.712 32 H TYR 4 HN TYR 4 7.834 2.382 -0.942 33 HA TYR 4 HA TYR 4 7.723 0.883 1.571 34 HB2 TYR 4 HB2 TYR 4 5.842 2.882 0.288 35 HB3 TYR 4 HB1 TYR 4 5.421 1.940 1.726 36 HD1 TYR 4 HD1 TYR 4 7.935 4.366 0.424 37 HD2 TYR 4 HD2 TYR 4 6.040 2.687 3.847 38 HE1 TYR 4 HE1 TYR 4 9.053 6.027 1.854 39 HE2 TYR 4 HE2 TYR 4 7.150 4.343 5.282 40 HH TYR 4 HH TYR 4 8.753 7.075 4.052 41 H VAL 5 HN VAL 5 6.833 -1.082 1.591 42 HA VAL 5 HA VAL 5 5.781 -2.042 -0.958 43 HB VAL 5 HB VAL 5 6.452 -4.246 -0.306 44 HG11 VAL 5 HG11 VAL 5 8.862 -3.954 -0.259 45 HG12 VAL 5 HG12 VAL 5 8.664 -2.284 0.268 46 HG13 VAL 5 HG13 VAL 5 8.118 -2.770 -1.335 47 HG21 VAL 5 HG21 VAL 5 7.686 -4.660 1.797 48 HG22 VAL 5 HG22 VAL 5 6.008 -4.189 2.070 49 HG23 VAL 5 HG23 VAL 5 7.303 -3.018 2.312 50 H CYS 6 HN CYS 6 3.961 -3.278 -1.102 51 HA CYS 6 HA CYS 6 1.921 -2.785 0.834 52 HB2 CYS 6 HB2 CYS 6 1.525 -2.991 -1.635 53 HB3 CYS 6 HB1 CYS 6 1.847 -4.715 -1.489 54 H ILE 7 HN ILE 7 1.248 -4.026 2.444 55 HA ILE 7 HA ILE 7 2.823 -6.287 3.208 56 HB ILE 7 HB ILE 7 0.393 -5.010 4.496 57 HG12 ILE 7 HG12 ILE 7 2.203 -4.229 6.166 58 HG13 ILE 7 HG11 ILE 7 3.357 -4.614 4.896 59 HG21 ILE 7 HG21 ILE 7 1.049 -6.212 6.516 60 HG22 ILE 7 HG22 ILE 7 2.330 -7.017 5.611 61 HG23 ILE 7 HG23 ILE 7 0.643 -7.303 5.193 62 HD11 ILE 7 HD11 ILE 7 2.348 -2.985 3.432 63 HD12 ILE 7 HD12 ILE 7 2.750 -2.230 4.976 64 HD13 ILE 7 HD13 ILE 7 1.081 -2.663 4.615 65 H HIS 8 HN HIS 8 -0.100 -5.721 1.514 66 HA HIS 8 HA HIS 8 -1.279 -8.262 2.283 67 HB2 HIS 8 HB2 HIS 8 -2.562 -6.050 2.007 68 HB3 HIS 8 HB1 HIS 8 -2.435 -6.350 0.272 69 HD1 HIS 8 HD1 HIS 8 -4.529 -7.050 3.148 70 HD2 HIS 8 HD2 HIS 8 -3.713 -8.917 -0.483 71 HE1 HIS 8 HE1 HIS 8 -6.422 -8.656 2.767 72 HE2 HIS 8 HE2 HIS 8 -5.829 -9.886 0.650 73 H CYS 9 HN CYS 9 -0.047 -6.721 -0.718 74 HA CYS 9 HA CYS 9 -0.378 -9.350 -1.976 75 HB2 CYS 9 HB2 CYS 9 -0.761 -8.262 -4.065 76 HB3 CYS 9 HB1 CYS 9 -1.813 -7.522 -2.870 77 H GLN 10 HN GLN 10 1.910 -7.256 -0.828 78 HA GLN 10 HA GLN 10 4.168 -7.304 -0.803 79 HB2 GLN 10 HB2 GLN 10 3.839 -9.802 -2.472 80 HB3 GLN 10 HB1 GLN 10 5.362 -9.248 -1.773 81 HG2 GLN 10 HG2 GLN 10 4.381 -9.469 0.473 82 HG3 GLN 10 HG1 GLN 10 2.896 -10.082 -0.254 83 HE21 GLN 10 HE21 GLN 10 4.400 -11.518 -2.331 84 HE22 GLN 10 HE22 GLN 10 5.069 -12.922 -1.552 85 H ARG 11 HN ARG 11 3.393 -5.406 -2.353 86 HA ARG 11 HA ARG 11 5.101 -5.574 -4.719 87 HB2 ARG 11 HB2 ARG 11 2.332 -4.424 -4.441 88 HB3 ARG 11 HB1 ARG 11 3.425 -3.919 -5.730 89 HG2 ARG 11 HG2 ARG 11 3.528 -6.178 -6.580 90 HG3 ARG 11 HG1 ARG 11 2.547 -6.756 -5.234 91 HD2 ARG 11 HD2 ARG 11 1.200 -6.526 -7.244 92 HD3 ARG 11 HD1 ARG 11 0.677 -5.388 -6.005 93 HE ARG 11 HE ARG 11 2.436 -3.952 -7.525 94 HH11 ARG 11 HH11 ARG 11 -0.454 -5.816 -8.225 95 HH12 ARG 11 HH12 ARG 11 -0.917 -4.820 -9.573 96 HH21 ARG 11 HH21 ARG 11 1.827 -2.651 -9.292 97 HH22 ARG 11 HH22 ARG 11 0.386 -3.029 -10.191 98 H GLN 12 HN GLN 12 6.309 -3.730 -5.175 99 HA GLN 12 HA GLN 12 6.765 -2.071 -2.827 100 HB2 GLN 12 HB2 GLN 12 8.411 -2.340 -5.349 101 HB3 GLN 12 HB1 GLN 12 8.905 -1.576 -3.850 102 HG2 GLN 12 HG2 GLN 12 8.811 -3.716 -2.705 103 HG3 GLN 12 HG1 GLN 12 8.270 -4.492 -4.191 104 HE21 GLN 12 HE21 GLN 12 9.997 -5.876 -4.277 105 HE22 GLN 12 HE22 GLN 12 11.612 -5.341 -4.675 106 H PHE 13 HN PHE 13 6.133 -0.008 -2.704 107 HA PHE 13 HA PHE 13 5.688 1.474 -5.216 108 HB2 PHE 13 HB2 PHE 13 3.943 1.510 -2.741 109 HB3 PHE 13 HB1 PHE 13 3.813 2.672 -4.068 110 HD1 PHE 13 HD2 PHE 13 3.342 -0.815 -3.081 111 HD2 PHE 13 HD1 PHE 13 2.888 2.049 -6.190 112 HE1 PHE 13 HE2 PHE 13 1.850 -2.360 -4.276 113 HE2 PHE 13 HE1 PHE 13 1.390 0.513 -7.388 114 HZ PHE 13 HZ PHE 13 0.994 -1.726 -6.540 115 H ALA 14 HN ALA 14 6.210 3.559 -5.287 116 HA ALA 14 HA ALA 14 8.550 4.302 -3.981 117 HB1 ALA 14 HB1 ALA 14 8.450 6.284 -5.242 118 HB2 ALA 14 HB2 ALA 14 6.689 6.225 -5.332 119 HB3 ALA 14 HB3 ALA 14 7.661 5.053 -6.235 120 H ASP 15 HN ASP 15 5.232 5.088 -3.185 121 HA ASP 15 HA ASP 15 6.189 7.278 -1.464 122 HB2 ASP 15 HB2 ASP 15 3.515 7.056 -2.854 123 HB3 ASP 15 HB1 ASP 15 4.084 8.414 -1.900 124 HA PRO 16 HA PRO 16 4.185 5.222 1.953 125 HB2 PRO 16 HB2 PRO 16 3.997 7.871 3.188 126 HB3 PRO 16 HB1 PRO 16 4.932 6.468 3.706 127 HG2 PRO 16 HG2 PRO 16 6.077 8.711 2.696 128 HG3 PRO 16 HG1 PRO 16 6.786 7.098 2.517 129 HD2 PRO 16 HD2 PRO 16 5.269 8.737 0.538 130 HD3 PRO 16 HD1 PRO 16 6.657 7.652 0.286 131 H GLY 17 HN GLY 17 3.068 8.229 0.525 132 HA2 GLY 17 HA2 GLY 17 0.423 8.199 1.518 133 HA3 GLY 17 HA1 GLY 17 0.983 9.055 0.086 134 H ALA 18 HN ALA 18 1.941 6.767 -1.313 135 HA ALA 18 HA ALA 18 -0.479 5.977 -2.563 136 HB1 ALA 18 HB1 ALA 18 0.921 4.500 -3.927 137 HB2 ALA 18 HB2 ALA 18 2.310 4.913 -2.921 138 HB3 ALA 18 HB3 ALA 18 1.518 6.158 -3.888 139 H LEU 19 HN LEU 19 1.528 4.562 -0.073 140 HA LEU 19 HA LEU 19 0.417 1.956 -0.274 141 HB2 LEU 19 HB2 LEU 19 2.254 3.363 1.540 142 HB3 LEU 19 HB1 LEU 19 1.238 2.165 2.333 143 HG LEU 19 HG LEU 19 3.409 1.235 1.677 144 HD11 LEU 19 HD11 LEU 19 2.577 -0.745 0.536 145 HD12 LEU 19 HD12 LEU 19 1.111 0.121 0.075 146 HD13 LEU 19 HD13 LEU 19 1.439 -0.214 1.777 147 HD21 LEU 19 HD21 LEU 19 4.025 0.963 -0.626 148 HD22 LEU 19 HD22 LEU 19 3.752 2.677 -0.303 149 HD23 LEU 19 HD23 LEU 19 2.529 1.736 -1.158 150 H GLN 20 HN GLN 20 -0.367 4.928 1.341 151 HA GLN 20 HA GLN 20 -2.327 3.791 2.962 152 HB2 GLN 20 HB2 GLN 20 -1.962 6.621 2.047 153 HB3 GLN 20 HB1 GLN 20 -3.241 6.143 3.152 154 HG2 GLN 20 HG2 GLN 20 -1.562 5.381 4.758 155 HG3 GLN 20 HG1 GLN 20 -0.285 5.888 3.650 156 HE21 GLN 20 HE21 GLN 20 0.532 7.352 5.179 157 HE22 GLN 20 HE22 GLN 20 -0.276 8.847 5.519 158 H ARG 21 HN ARG 21 -2.378 5.346 -0.087 159 HA ARG 21 HA ARG 21 -5.114 5.116 -0.686 160 HB2 ARG 21 HB2 ARG 21 -3.180 6.325 -1.939 161 HB3 ARG 21 HB1 ARG 21 -2.916 4.777 -2.716 162 HG2 ARG 21 HG2 ARG 21 -4.393 5.424 -4.230 163 HG3 ARG 21 HG1 ARG 21 -5.629 5.180 -2.993 164 HD2 ARG 21 HD2 ARG 21 -4.152 7.742 -3.563 165 HD3 ARG 21 HD1 ARG 21 -5.818 7.386 -3.995 166 HE ARG 21 HE ARG 21 -5.248 7.198 -1.172 167 HH11 ARG 21 HH11 ARG 21 -6.256 9.260 -3.814 168 HH12 ARG 21 HH12 ARG 21 -7.017 10.436 -2.776 169 HH21 ARG 21 HH21 ARG 21 -6.230 8.725 0.199 170 HH22 ARG 21 HH22 ARG 21 -6.994 10.132 -0.483 171 H HIS 22 HN HIS 22 -2.367 3.034 -0.933 172 HA HIS 22 HA HIS 22 -3.418 1.095 -2.700 173 HB2 HIS 22 HB2 HIS 22 -0.991 1.569 -2.022 174 HB3 HIS 22 HB1 HIS 22 -1.309 0.539 -0.639 175 HD1 HIS 22 HD1 HIS 22 -1.535 0.301 -4.447 176 HD2 HIS 22 HD2 HIS 22 -0.880 -2.023 -1.071 177 HE1 HIS 22 HE1 HIS 22 -0.990 -2.021 -5.281 178 H VAL 23 HN VAL 23 -3.035 1.095 0.828 179 HA VAL 23 HA VAL 23 -3.990 -1.522 1.055 180 HB VAL 23 HB VAL 23 -3.921 0.608 3.203 181 HG11 VAL 23 HG11 VAL 23 -4.183 -2.392 3.417 182 HG12 VAL 23 HG12 VAL 23 -5.428 -1.203 3.803 183 HG13 VAL 23 HG13 VAL 23 -3.958 -1.287 4.775 184 HG21 VAL 23 HG21 VAL 23 -1.723 0.185 2.257 185 HG22 VAL 23 HG22 VAL 23 -1.939 -1.552 2.478 186 HG23 VAL 23 HG23 VAL 23 -1.825 -0.491 3.882 187 H ARG 24 HN ARG 24 -5.516 1.625 1.147 188 HA ARG 24 HA ARG 24 -8.099 0.771 1.903 189 HB2 ARG 24 HB2 ARG 24 -7.334 3.143 0.196 190 HB3 ARG 24 HB1 ARG 24 -8.876 2.905 1.008 191 HG2 ARG 24 HG2 ARG 24 -7.668 2.926 3.176 192 HG3 ARG 24 HG1 ARG 24 -6.194 3.342 2.300 193 HD2 ARG 24 HD2 ARG 24 -7.379 5.334 1.393 194 HD3 ARG 24 HD1 ARG 24 -8.745 4.940 2.436 195 HE ARG 24 HE ARG 24 -6.098 5.861 3.320 196 HH11 ARG 24 HH11 ARG 24 -9.404 5.038 4.073 197 HH12 ARG 24 HH12 ARG 24 -9.410 5.875 5.590 198 HH21 ARG 24 HH21 ARG 24 -6.087 6.955 5.323 199 HH22 ARG 24 HH22 ARG 24 -7.512 6.950 6.313 200 H ILE 25 HN ILE 25 -6.361 0.729 -1.108 201 HA ILE 25 HA ILE 25 -8.455 0.304 -2.914 202 HB ILE 25 HB ILE 25 -5.595 -0.661 -2.931 203 HG12 ILE 25 HG12 ILE 25 -6.012 1.808 -3.001 204 HG13 ILE 25 HG11 ILE 25 -5.141 1.185 -4.394 205 HG21 ILE 25 HG21 ILE 25 -6.860 -2.133 -4.328 206 HG22 ILE 25 HG22 ILE 25 -5.897 -1.058 -5.340 207 HG23 ILE 25 HG23 ILE 25 -7.624 -0.768 -5.140 208 HD11 ILE 25 HD11 ILE 25 -7.245 1.221 -5.676 209 HD12 ILE 25 HD12 ILE 25 -6.782 2.814 -5.077 210 HD13 ILE 25 HD13 ILE 25 -8.062 1.907 -4.272 211 H HIS 26 HN HIS 26 -6.434 -2.019 -1.125 212 HA HIS 26 HA HIS 26 -7.685 -4.333 -2.127 213 HB2 HIS 26 HB2 HIS 26 -6.078 -3.815 0.359 214 HB3 HIS 26 HB1 HIS 26 -6.780 -5.394 0.040 215 HD1 HIS 26 HD1 HIS 26 -6.100 -5.706 -2.968 216 HD2 HIS 26 HD2 HIS 26 -3.479 -4.235 -0.080 217 HE1 HIS 26 HE1 HIS 26 -3.742 -6.194 -3.808 218 H THR 27 HN THR 27 -8.333 -2.359 0.715 219 HA THR 27 HA THR 27 -10.244 -4.235 1.749 220 HB THR 27 HB THR 27 -8.737 -2.879 3.197 221 HG1 THR 27 HG1 THR 27 -11.555 -2.709 3.569 222 HG21 THR 27 HG21 THR 27 -9.361 -0.563 3.689 223 HG22 THR 27 HG22 THR 27 -10.570 -0.623 2.406 224 HG23 THR 27 HG23 THR 27 -8.856 -0.763 2.009 225 H GLY 28 HN GLY 28 -10.431 -2.085 -0.717 226 HA2 GLY 28 HA2 GLY 28 -12.235 -1.394 -1.960 227 HA3 GLY 28 HA1 GLY 28 -13.255 -2.341 -0.888 228 H GLU 29 HN GLU 29 -11.288 -0.115 0.710 229 HA GLU 29 HA GLU 29 -13.570 1.441 1.499 230 HB2 GLU 29 HB2 GLU 29 -12.158 1.020 3.274 231 HB3 GLU 29 HB1 GLU 29 -10.710 1.196 2.298 232 HG2 GLU 29 HG2 GLU 29 -10.972 3.569 2.272 233 HG3 GLU 29 HG1 GLU 29 -12.478 3.452 3.185 234 H LYS 30 HN LYS 30 -10.735 1.833 -0.519 235 HA LYS 30 HA LYS 30 -11.803 4.428 -1.405 236 HB2 LYS 30 HB2 LYS 30 -9.801 4.851 -0.089 237 HB3 LYS 30 HB1 LYS 30 -8.899 3.667 -1.023 238 HG2 LYS 30 HG2 LYS 30 -8.281 5.860 -1.747 239 HG3 LYS 30 HG1 LYS 30 -9.204 5.081 -3.032 240 HD2 LYS 30 HD2 LYS 30 -11.220 6.296 -2.257 241 HD3 LYS 30 HD1 LYS 30 -10.218 7.138 -1.072 242 HE2 LYS 30 HE2 LYS 30 -8.831 8.007 -2.921 243 HE3 LYS 30 HE1 LYS 30 -9.921 7.232 -4.069 244 HZ1 LYS 30 HZ1 LYS 30 -10.590 9.403 -2.162 245 HZ2 LYS 30 HZ2 LYS 30 -11.736 8.585 -3.111 246 HZ3 LYS 30 HZ3 LYS 30 -10.525 9.511 -3.855 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 17.776 3.266 -1.061 2 H2 MET 1 HT2 MET 1 17.872 4.036 0.448 3 H3 MET 1 HT3 MET 1 18.080 4.932 -0.982 4 HA MET 1 HA MET 1 15.903 5.318 -0.035 5 HB2 MET 1 HB2 MET 1 16.089 5.467 -2.447 6 HB3 MET 1 HB1 MET 1 15.947 3.721 -2.607 7 HG2 MET 1 HG2 MET 1 13.654 3.918 -1.611 8 HG3 MET 1 HG1 MET 1 13.825 5.668 -1.754 9 HE1 MET 1 HE1 MET 1 11.519 5.575 -3.125 10 HE2 MET 1 HE2 MET 1 11.476 3.814 -3.085 11 HE3 MET 1 HE3 MET 1 11.305 4.665 -4.623 12 H LYS 2 HN LYS 2 14.380 4.549 1.259 13 HA LYS 2 HA LYS 2 13.893 1.644 1.293 14 HB2 LYS 2 HB2 LYS 2 14.569 2.573 3.454 15 HB3 LYS 2 HB1 LYS 2 13.272 3.757 3.370 16 HG2 LYS 2 HG2 LYS 2 12.698 1.930 4.865 17 HG3 LYS 2 HG1 LYS 2 11.619 1.967 3.471 18 HD2 LYS 2 HD2 LYS 2 13.012 0.206 2.413 19 HD3 LYS 2 HD1 LYS 2 13.971 0.126 3.892 20 HE2 LYS 2 HE2 LYS 2 11.934 -0.466 5.146 21 HE3 LYS 2 HE1 LYS 2 11.020 -0.439 3.639 22 HZ1 LYS 2 HZ1 LYS 2 11.607 -2.681 4.180 23 HZ2 LYS 2 HZ2 LYS 2 13.249 -2.280 4.321 24 HZ3 LYS 2 HZ3 LYS 2 12.489 -2.212 2.808 25 HA PRO 3 HA PRO 3 10.162 3.190 -0.779 26 HB2 PRO 3 HB2 PRO 3 9.574 0.926 -2.097 27 HB3 PRO 3 HB1 PRO 3 10.872 2.005 -2.640 28 HG2 PRO 3 HG2 PRO 3 11.051 -0.537 -1.068 29 HG3 PRO 3 HG1 PRO 3 12.047 0.014 -2.424 30 HD2 PRO 3 HD2 PRO 3 12.806 0.227 0.194 31 HD3 PRO 3 HD1 PRO 3 13.368 1.327 -1.079 32 H TYR 4 HN TYR 4 7.936 2.232 -0.913 33 HA TYR 4 HA TYR 4 7.317 0.912 1.638 34 HB2 TYR 4 HB2 TYR 4 5.982 3.105 0.123 35 HB3 TYR 4 HB1 TYR 4 4.942 1.949 0.969 36 HD1 TYR 4 HD1 TYR 4 7.764 4.292 1.464 37 HD2 TYR 4 HD2 TYR 4 4.622 2.099 3.305 38 HE1 TYR 4 HE1 TYR 4 8.149 5.522 3.557 39 HE2 TYR 4 HE2 TYR 4 4.997 3.324 5.405 40 HH TYR 4 HH TYR 4 6.985 6.113 5.583 41 H VAL 5 HN VAL 5 6.564 -1.072 1.510 42 HA VAL 5 HA VAL 5 5.663 -2.018 -1.108 43 HB VAL 5 HB VAL 5 6.381 -4.227 -0.442 44 HG11 VAL 5 HG11 VAL 5 8.021 -2.773 -1.502 45 HG12 VAL 5 HG12 VAL 5 8.795 -3.864 -0.354 46 HG13 VAL 5 HG13 VAL 5 8.523 -2.176 0.078 47 HG21 VAL 5 HG21 VAL 5 5.924 -4.086 1.955 48 HG22 VAL 5 HG22 VAL 5 7.279 -2.974 2.148 49 HG23 VAL 5 HG23 VAL 5 7.571 -4.641 1.653 50 H CYS 6 HN CYS 6 3.799 -3.196 -1.286 51 HA CYS 6 HA CYS 6 1.793 -2.811 0.678 52 HB2 CYS 6 HB2 CYS 6 1.365 -3.096 -1.777 53 HB3 CYS 6 HB1 CYS 6 1.744 -4.801 -1.595 54 H ILE 7 HN ILE 7 1.303 -3.976 2.386 55 HA ILE 7 HA ILE 7 3.017 -6.093 3.184 56 HB ILE 7 HB ILE 7 0.525 -4.964 4.488 57 HG12 ILE 7 HG12 ILE 7 2.305 -3.949 6.058 58 HG13 ILE 7 HG11 ILE 7 3.451 -4.289 4.767 59 HG21 ILE 7 HG21 ILE 7 2.662 -6.754 5.614 60 HG22 ILE 7 HG22 ILE 7 0.982 -7.184 5.298 61 HG23 ILE 7 HG23 ILE 7 1.371 -5.999 6.545 62 HD11 ILE 7 HD11 ILE 7 2.338 -2.799 3.287 63 HD12 ILE 7 HD12 ILE 7 2.562 -1.958 4.821 64 HD13 ILE 7 HD13 ILE 7 0.982 -2.617 4.397 65 H HIS 8 HN HIS 8 0.016 -5.865 1.536 66 HA HIS 8 HA HIS 8 -0.845 -8.486 2.499 67 HB2 HIS 8 HB2 HIS 8 -2.317 -6.282 2.204 68 HB3 HIS 8 HB1 HIS 8 -2.532 -6.959 0.588 69 HD1 HIS 8 HD1 HIS 8 -3.838 -9.217 0.409 70 HD2 HIS 8 HD2 HIS 8 -3.585 -7.663 4.259 71 HE1 HIS 8 HE1 HIS 8 -5.487 -10.530 1.783 72 HE2 HIS 8 HE2 HIS 8 -5.172 -9.702 4.144 73 H CYS 9 HN CYS 9 -0.108 -6.860 -0.615 74 HA CYS 9 HA CYS 9 -0.293 -9.530 -1.824 75 HB2 CYS 9 HB2 CYS 9 -1.008 -8.542 -3.840 76 HB3 CYS 9 HB1 CYS 9 -1.899 -7.718 -2.577 77 H GLN 10 HN GLN 10 1.851 -7.286 -0.802 78 HA GLN 10 HA GLN 10 4.094 -7.109 -0.871 79 HB2 GLN 10 HB2 GLN 10 3.869 -9.746 -2.313 80 HB3 GLN 10 HB1 GLN 10 5.400 -9.027 -1.802 81 HG2 GLN 10 HG2 GLN 10 4.642 -9.077 0.519 82 HG3 GLN 10 HG1 GLN 10 3.123 -9.809 0.005 83 HE21 GLN 10 HE21 GLN 10 6.534 -10.285 0.472 84 HE22 GLN 10 HE22 GLN 10 6.507 -12.025 0.329 85 H ARG 11 HN ARG 11 3.321 -5.319 -2.416 86 HA ARG 11 HA ARG 11 5.004 -5.530 -4.797 87 HB2 ARG 11 HB2 ARG 11 2.243 -4.391 -4.528 88 HB3 ARG 11 HB1 ARG 11 3.349 -3.794 -5.759 89 HG2 ARG 11 HG2 ARG 11 3.556 -6.062 -6.658 90 HG3 ARG 11 HG1 ARG 11 2.420 -6.638 -5.438 91 HD2 ARG 11 HD2 ARG 11 1.336 -6.254 -7.601 92 HD3 ARG 11 HD1 ARG 11 0.688 -5.210 -6.336 93 HE ARG 11 HE ARG 11 2.792 -3.955 -7.813 94 HH11 ARG 11 HH11 ARG 11 -0.627 -4.719 -7.828 95 HH12 ARG 11 HH12 ARG 11 -1.045 -3.416 -8.905 96 HH21 ARG 11 HH21 ARG 11 2.261 -2.250 -9.232 97 HH22 ARG 11 HH22 ARG 11 0.605 -2.008 -9.708 98 H GLN 12 HN GLN 12 6.412 -3.891 -5.096 99 HA GLN 12 HA GLN 12 6.779 -2.079 -2.878 100 HB2 GLN 12 HB2 GLN 12 8.388 -2.313 -5.422 101 HB3 GLN 12 HB1 GLN 12 8.890 -1.579 -3.910 102 HG2 GLN 12 HG2 GLN 12 8.840 -3.753 -2.819 103 HG3 GLN 12 HG1 GLN 12 8.304 -4.499 -4.323 104 HE21 GLN 12 HE21 GLN 12 10.049 -2.698 -5.897 105 HE22 GLN 12 HE22 GLN 12 11.653 -3.358 -5.722 106 H PHE 13 HN PHE 13 6.306 0.033 -2.815 107 HA PHE 13 HA PHE 13 5.923 1.462 -5.361 108 HB2 PHE 13 HB2 PHE 13 4.197 1.770 -2.878 109 HB3 PHE 13 HB1 PHE 13 4.134 2.820 -4.300 110 HD1 PHE 13 HD1 PHE 13 3.205 2.040 -6.392 111 HD2 PHE 13 HD2 PHE 13 3.288 -0.471 -2.959 112 HE1 PHE 13 HE1 PHE 13 1.599 0.520 -7.469 113 HE2 PHE 13 HE2 PHE 13 1.679 -1.994 -4.029 114 HZ PHE 13 HZ PHE 13 0.834 -1.499 -6.288 115 H ALA 14 HN ALA 14 5.982 3.925 -4.916 116 HA ALA 14 HA ALA 14 8.566 4.365 -3.713 117 HB1 ALA 14 HB1 ALA 14 6.714 6.359 -4.997 118 HB2 ALA 14 HB2 ALA 14 7.891 5.372 -5.872 119 HB3 ALA 14 HB3 ALA 14 8.439 6.557 -4.686 120 H ASP 15 HN ASP 15 5.279 5.554 -3.178 121 HA ASP 15 HA ASP 15 6.289 7.247 -1.005 122 HB2 ASP 15 HB2 ASP 15 3.800 7.476 -2.704 123 HB3 ASP 15 HB1 ASP 15 4.205 8.548 -1.377 124 HA PRO 16 HA PRO 16 3.841 5.005 2.012 125 HB2 PRO 16 HB2 PRO 16 3.578 7.107 3.765 126 HB3 PRO 16 HB1 PRO 16 4.994 6.053 3.691 127 HG2 PRO 16 HG2 PRO 16 4.589 8.765 2.497 128 HG3 PRO 16 HG1 PRO 16 6.017 8.100 3.313 129 HD2 PRO 16 HD2 PRO 16 5.879 8.270 0.634 130 HD3 PRO 16 HD1 PRO 16 6.687 6.906 1.443 131 H GLY 17 HN GLY 17 3.078 8.134 0.646 132 HA2 GLY 17 HA2 GLY 17 0.343 8.217 1.406 133 HA3 GLY 17 HA1 GLY 17 1.085 9.136 0.101 134 H ALA 18 HN ALA 18 2.068 6.554 -1.111 135 HA ALA 18 HA ALA 18 -0.333 6.008 -2.627 136 HB1 ALA 18 HB1 ALA 18 2.448 4.899 -2.921 137 HB2 ALA 18 HB2 ALA 18 1.737 6.219 -3.853 138 HB3 ALA 18 HB3 ALA 18 1.098 4.580 -4.008 139 H LEU 19 HN LEU 19 1.546 4.487 -0.121 140 HA LEU 19 HA LEU 19 0.392 1.905 -0.477 141 HB2 LEU 19 HB2 LEU 19 2.286 3.150 1.384 142 HB3 LEU 19 HB1 LEU 19 1.230 1.958 2.133 143 HG LEU 19 HG LEU 19 3.394 1.010 1.353 144 HD11 LEU 19 HD11 LEU 19 0.959 -0.033 -0.092 145 HD12 LEU 19 HD12 LEU 19 1.396 -0.395 1.577 146 HD13 LEU 19 HD13 LEU 19 2.428 -0.942 0.257 147 HD21 LEU 19 HD21 LEU 19 3.618 2.469 -0.643 148 HD22 LEU 19 HD22 LEU 19 2.324 1.550 -1.413 149 HD23 LEU 19 HD23 LEU 19 3.844 0.756 -0.991 150 H GLN 20 HN GLN 20 -0.371 4.823 1.255 151 HA GLN 20 HA GLN 20 -2.336 3.528 2.795 152 HB2 GLN 20 HB2 GLN 20 -2.959 5.693 3.643 153 HB3 GLN 20 HB1 GLN 20 -1.213 5.601 3.537 154 HG2 GLN 20 HG2 GLN 20 -1.325 6.821 1.387 155 HG3 GLN 20 HG1 GLN 20 -3.054 7.036 1.658 156 HE21 GLN 20 HE21 GLN 20 -2.860 9.269 1.720 157 HE22 GLN 20 HE22 GLN 20 -2.148 10.100 3.057 158 H ARG 21 HN ARG 21 -2.244 5.306 -0.098 159 HA ARG 21 HA ARG 21 -4.985 5.212 -0.795 160 HB2 ARG 21 HB2 ARG 21 -3.182 6.513 -1.965 161 HB3 ARG 21 HB1 ARG 21 -2.592 5.013 -2.633 162 HG2 ARG 21 HG2 ARG 21 -3.938 6.189 -4.267 163 HG3 ARG 21 HG1 ARG 21 -4.707 4.672 -3.797 164 HD2 ARG 21 HD2 ARG 21 -6.219 5.882 -2.315 165 HD3 ARG 21 HD1 ARG 21 -5.430 7.403 -2.732 166 HE ARG 21 HE ARG 21 -6.270 6.245 -5.114 167 HH11 ARG 21 HH11 ARG 21 -7.767 7.486 -2.200 168 HH12 ARG 21 HH12 ARG 21 -9.229 7.974 -3.008 169 HH21 ARG 21 HH21 ARG 21 -8.143 6.902 -6.184 170 HH22 ARG 21 HH22 ARG 21 -9.440 7.653 -5.293 171 H HIS 22 HN HIS 22 -2.282 3.057 -1.096 172 HA HIS 22 HA HIS 22 -3.465 1.158 -2.844 173 HB2 HIS 22 HB2 HIS 22 -1.004 1.444 -2.295 174 HB3 HIS 22 HB1 HIS 22 -1.318 0.516 -0.841 175 HD1 HIS 22 HD1 HIS 22 -1.593 0.119 -4.626 176 HD2 HIS 22 HD2 HIS 22 -1.225 -2.125 -1.147 177 HE1 HIS 22 HE1 HIS 22 -1.292 -2.280 -5.358 178 H VAL 23 HN VAL 23 -3.024 1.137 0.682 179 HA VAL 23 HA VAL 23 -4.106 -1.433 0.933 180 HB VAL 23 HB VAL 23 -3.894 0.709 3.061 181 HG11 VAL 23 HG11 VAL 23 -5.501 -0.994 3.710 182 HG12 VAL 23 HG12 VAL 23 -4.024 -1.160 4.660 183 HG13 VAL 23 HG13 VAL 23 -4.339 -2.264 3.320 184 HG21 VAL 23 HG21 VAL 23 -1.737 0.102 2.062 185 HG22 VAL 23 HG22 VAL 23 -2.057 -1.598 2.419 186 HG23 VAL 23 HG23 VAL 23 -1.854 -0.444 3.736 187 H ARG 24 HN ARG 24 -5.469 1.772 0.959 188 HA ARG 24 HA ARG 24 -8.110 1.071 1.704 189 HB2 ARG 24 HB2 ARG 24 -6.977 3.409 0.173 190 HB3 ARG 24 HB1 ARG 24 -8.672 3.282 0.632 191 HG2 ARG 24 HG2 ARG 24 -6.669 2.907 2.773 192 HG3 ARG 24 HG1 ARG 24 -6.865 4.534 2.127 193 HD2 ARG 24 HD2 ARG 24 -9.144 2.824 3.106 194 HD3 ARG 24 HD1 ARG 24 -8.303 4.006 4.110 195 HE ARG 24 HE ARG 24 -9.029 5.683 2.376 196 HH11 ARG 24 HH11 ARG 24 -10.846 2.763 3.022 197 HH12 ARG 24 HH12 ARG 24 -12.360 3.422 2.469 198 HH21 ARG 24 HH21 ARG 24 -11.010 6.564 1.654 199 HH22 ARG 24 HH22 ARG 24 -12.448 5.585 1.674 200 H ILE 25 HN ILE 25 -6.351 0.352 -1.083 201 HA ILE 25 HA ILE 25 -8.647 0.108 -2.811 202 HB ILE 25 HB ILE 25 -5.787 -0.828 -3.097 203 HG12 ILE 25 HG12 ILE 25 -7.350 1.307 -4.563 204 HG13 ILE 25 HG11 ILE 25 -6.194 1.595 -3.277 205 HG21 ILE 25 HG21 ILE 25 -8.038 -1.041 -5.066 206 HG22 ILE 25 HG22 ILE 25 -7.244 -2.380 -4.236 207 HG23 ILE 25 HG23 ILE 25 -6.348 -1.397 -5.395 208 HD11 ILE 25 HD11 ILE 25 -5.213 2.016 -5.454 209 HD12 ILE 25 HD12 ILE 25 -5.568 0.360 -5.938 210 HD13 ILE 25 HD13 ILE 25 -4.409 0.672 -4.646 211 H HIS 26 HN HIS 26 -6.471 -2.079 -1.007 212 HA HIS 26 HA HIS 26 -7.924 -4.447 -1.636 213 HB2 HIS 26 HB2 HIS 26 -5.986 -3.821 0.594 214 HB3 HIS 26 HB1 HIS 26 -6.733 -5.397 0.399 215 HD1 HIS 26 HD1 HIS 26 -6.312 -5.804 -2.689 216 HD2 HIS 26 HD2 HIS 26 -3.469 -4.331 -0.021 217 HE1 HIS 26 HE1 HIS 26 -4.016 -6.370 -3.673 218 H THR 27 HN THR 27 -7.822 -2.389 1.262 219 HA THR 27 HA THR 27 -10.209 -3.775 2.266 220 HB THR 27 HB THR 27 -8.387 -1.966 3.864 221 HG1 THR 27 HG1 THR 27 -8.246 -4.814 3.772 222 HG21 THR 27 HG21 THR 27 -10.287 -4.182 4.661 223 HG22 THR 27 HG22 THR 27 -10.567 -2.453 4.873 224 HG23 THR 27 HG23 THR 27 -9.273 -3.253 5.765 225 H GLY 28 HN GLY 28 -10.335 -1.781 0.203 226 HA2 GLY 28 HA2 GLY 28 -11.438 0.594 1.462 227 HA3 GLY 28 HA1 GLY 28 -11.347 0.273 -0.264 228 H GLU 29 HN GLU 29 -12.530 -2.347 1.398 229 HA GLU 29 HA GLU 29 -15.071 -2.303 0.254 230 HB2 GLU 29 HB2 GLU 29 -14.154 -3.803 2.702 231 HB3 GLU 29 HB1 GLU 29 -15.496 -4.220 1.650 232 HG2 GLU 29 HG2 GLU 29 -12.574 -4.262 0.964 233 HG3 GLU 29 HG1 GLU 29 -13.660 -5.637 1.135 234 H LYS 30 HN LYS 30 -13.866 -1.313 3.394 235 HA LYS 30 HA LYS 30 -16.513 -0.212 4.035 236 HB2 LYS 30 HB2 LYS 30 -15.875 -2.170 5.444 237 HB3 LYS 30 HB1 LYS 30 -14.472 -1.271 6.000 238 HG2 LYS 30 HG2 LYS 30 -15.857 0.347 7.089 239 HG3 LYS 30 HG1 LYS 30 -17.313 -0.354 6.378 240 HD2 LYS 30 HD2 LYS 30 -15.459 -1.714 8.335 241 HD3 LYS 30 HD1 LYS 30 -17.053 -1.056 8.702 242 HE2 LYS 30 HE2 LYS 30 -18.065 -2.634 7.125 243 HE3 LYS 30 HE1 LYS 30 -16.471 -3.296 6.767 244 HZ1 LYS 30 HZ1 LYS 30 -16.279 -4.096 8.989 245 HZ2 LYS 30 HZ2 LYS 30 -17.785 -4.604 8.389 246 HZ3 LYS 30 HZ3 LYS 30 -17.701 -3.300 9.467 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 17.888 2.480 0.846 2 H2 MET 1 HT2 MET 1 18.894 2.475 -0.520 3 H3 MET 1 HT3 MET 1 18.694 1.057 0.394 4 HA MET 1 HA MET 1 16.595 2.431 -1.172 5 HB2 MET 1 HB2 MET 1 18.141 -0.116 -1.633 6 HB3 MET 1 HB1 MET 1 16.634 0.246 -2.461 7 HG2 MET 1 HG2 MET 1 17.692 2.295 -3.369 8 HG3 MET 1 HG1 MET 1 19.211 1.785 -2.631 9 HE1 MET 1 HE1 MET 1 18.911 2.469 -5.704 10 HE2 MET 1 HE2 MET 1 19.794 1.144 -6.460 11 HE3 MET 1 HE3 MET 1 20.433 1.913 -5.006 12 H LYS 2 HN LYS 2 14.958 2.401 0.280 13 HA LYS 2 HA LYS 2 13.829 -0.251 0.710 14 HB2 LYS 2 HB2 LYS 2 14.632 1.575 2.884 15 HB3 LYS 2 HB1 LYS 2 13.008 0.917 3.019 16 HG2 LYS 2 HG2 LYS 2 14.158 -1.361 2.596 17 HG3 LYS 2 HG1 LYS 2 15.633 -0.506 3.054 18 HD2 LYS 2 HD2 LYS 2 14.694 0.081 5.189 19 HD3 LYS 2 HD1 LYS 2 13.127 -0.586 4.728 20 HE2 LYS 2 HE2 LYS 2 14.152 -2.202 6.115 21 HE3 LYS 2 HE1 LYS 2 14.279 -2.809 4.466 22 HZ1 LYS 2 HZ1 LYS 2 16.345 -3.123 5.612 23 HZ2 LYS 2 HZ2 LYS 2 16.426 -1.487 6.030 24 HZ3 LYS 2 HZ3 LYS 2 16.571 -1.955 4.406 25 HA PRO 3 HA PRO 3 10.611 2.474 -0.925 26 HB2 PRO 3 HB2 PRO 3 9.348 0.549 -2.322 27 HB3 PRO 3 HB1 PRO 3 10.800 1.351 -2.938 28 HG2 PRO 3 HG2 PRO 3 10.532 -1.313 -1.598 29 HG3 PRO 3 HG1 PRO 3 11.482 -0.865 -3.025 30 HD2 PRO 3 HD2 PRO 3 12.562 -1.108 -0.535 31 HD3 PRO 3 HD1 PRO 3 13.198 0.001 -1.768 32 H TYR 4 HN TYR 4 8.169 2.015 -0.909 33 HA TYR 4 HA TYR 4 7.562 0.814 1.687 34 HB2 TYR 4 HB2 TYR 4 5.913 2.792 0.072 35 HB3 TYR 4 HB1 TYR 4 5.616 2.262 1.731 36 HD1 TYR 4 HD2 TYR 4 7.019 3.033 3.563 37 HD2 TYR 4 HD1 TYR 4 7.706 4.367 -0.413 38 HE1 TYR 4 HE2 TYR 4 8.388 4.881 4.429 39 HE2 TYR 4 HE1 TYR 4 9.074 6.225 0.439 40 HH TYR 4 HH TYR 4 10.103 6.416 3.727 41 H VAL 5 HN VAL 5 6.582 -1.089 1.694 42 HA VAL 5 HA VAL 5 5.663 -2.054 -0.911 43 HB VAL 5 HB VAL 5 6.260 -4.261 -0.217 44 HG11 VAL 5 HG11 VAL 5 8.474 -2.343 0.472 45 HG12 VAL 5 HG12 VAL 5 8.009 -2.836 -1.153 46 HG13 VAL 5 HG13 VAL 5 8.667 -4.024 -0.028 47 HG21 VAL 5 HG21 VAL 5 7.005 -3.055 2.443 48 HG22 VAL 5 HG22 VAL 5 7.337 -4.717 1.952 49 HG23 VAL 5 HG23 VAL 5 5.672 -4.166 2.133 50 H CYS 6 HN CYS 6 3.850 -3.304 -1.106 51 HA CYS 6 HA CYS 6 1.737 -2.830 0.768 52 HB2 CYS 6 HB2 CYS 6 1.648 -3.187 -1.829 53 HB3 CYS 6 HB1 CYS 6 1.580 -4.887 -1.399 54 H ILE 7 HN ILE 7 1.220 -4.046 2.451 55 HA ILE 7 HA ILE 7 2.849 -6.272 3.149 56 HB ILE 7 HB ILE 7 0.421 -5.064 4.491 57 HG12 ILE 7 HG12 ILE 7 2.252 -4.312 6.157 58 HG13 ILE 7 HG11 ILE 7 3.377 -4.642 4.845 59 HG21 ILE 7 HG21 ILE 7 1.117 -6.280 6.492 60 HG22 ILE 7 HG22 ILE 7 2.362 -7.091 5.544 61 HG23 ILE 7 HG23 ILE 7 0.660 -7.352 5.168 62 HD11 ILE 7 HD11 ILE 7 2.307 -2.997 3.459 63 HD12 ILE 7 HD12 ILE 7 2.728 -2.274 5.011 64 HD13 ILE 7 HD13 ILE 7 1.060 -2.734 4.672 65 H HIS 8 HN HIS 8 -0.068 -5.869 1.418 66 HA HIS 8 HA HIS 8 -1.051 -8.503 2.242 67 HB2 HIS 8 HB2 HIS 8 -2.509 -6.362 2.180 68 HB3 HIS 8 HB1 HIS 8 -2.581 -6.662 0.438 69 HD1 HIS 8 HD1 HIS 8 -4.427 -8.195 -0.299 70 HD2 HIS 8 HD2 HIS 8 -3.443 -8.718 3.715 71 HE1 HIS 8 HE1 HIS 8 -6.089 -9.851 0.605 72 HE2 HIS 8 HE2 HIS 8 -5.399 -10.249 2.993 73 H CYS 9 HN CYS 9 0.077 -6.817 -0.674 74 HA CYS 9 HA CYS 9 -0.333 -9.355 -2.088 75 HB2 CYS 9 HB2 CYS 9 -0.808 -8.164 -4.078 76 HB3 CYS 9 HB1 CYS 9 -1.768 -7.424 -2.813 77 H GLN 10 HN GLN 10 1.986 -7.428 -0.809 78 HA GLN 10 HA GLN 10 4.247 -7.493 -0.833 79 HB2 GLN 10 HB2 GLN 10 3.690 -9.948 -2.478 80 HB3 GLN 10 HB1 GLN 10 5.337 -9.410 -2.150 81 HG2 GLN 10 HG2 GLN 10 4.903 -11.045 -0.547 82 HG3 GLN 10 HG1 GLN 10 4.712 -9.519 0.310 83 HE21 GLN 10 HE21 GLN 10 2.750 -8.978 1.149 84 HE22 GLN 10 HE22 GLN 10 1.380 -10.053 1.148 85 H ARG 11 HN ARG 11 3.371 -5.543 -2.407 86 HA ARG 11 HA ARG 11 5.146 -5.691 -4.737 87 HB2 ARG 11 HB2 ARG 11 2.576 -4.124 -4.501 88 HB3 ARG 11 HB1 ARG 11 3.643 -4.155 -5.891 89 HG2 ARG 11 HG2 ARG 11 2.096 -6.496 -4.810 90 HG3 ARG 11 HG1 ARG 11 1.693 -5.561 -6.249 91 HD2 ARG 11 HD2 ARG 11 3.744 -6.279 -7.320 92 HD3 ARG 11 HD1 ARG 11 4.230 -7.145 -5.861 93 HE ARG 11 HE ARG 11 1.854 -8.278 -6.426 94 HH11 ARG 11 HH11 ARG 11 4.658 -7.617 -8.425 95 HH12 ARG 11 HH12 ARG 11 4.400 -8.995 -9.450 96 HH21 ARG 11 HH21 ARG 11 1.508 -10.071 -7.791 97 HH22 ARG 11 HH22 ARG 11 2.619 -10.383 -9.103 98 H GLN 12 HN GLN 12 6.281 -3.768 -5.248 99 HA GLN 12 HA GLN 12 6.827 -2.177 -2.866 100 HB2 GLN 12 HB2 GLN 12 8.325 -2.590 -5.447 101 HB3 GLN 12 HB1 GLN 12 8.793 -1.383 -4.269 102 HG2 GLN 12 HG2 GLN 12 10.169 -3.168 -3.789 103 HG3 GLN 12 HG1 GLN 12 8.883 -3.317 -2.605 104 HE21 GLN 12 HE21 GLN 12 7.497 -5.053 -2.679 105 HE22 GLN 12 HE22 GLN 12 7.775 -6.432 -3.708 106 H PHE 13 HN PHE 13 6.439 -0.043 -2.702 107 HA PHE 13 HA PHE 13 5.706 1.422 -5.154 108 HB2 PHE 13 HB2 PHE 13 4.270 1.642 -2.488 109 HB3 PHE 13 HB1 PHE 13 3.960 2.643 -3.912 110 HD1 PHE 13 HD1 PHE 13 2.932 1.671 -5.915 111 HD2 PHE 13 HD2 PHE 13 3.440 -0.592 -2.343 112 HE1 PHE 13 HE1 PHE 13 1.344 -0.008 -6.755 113 HE2 PHE 13 HE2 PHE 13 1.847 -2.273 -3.177 114 HZ PHE 13 HZ PHE 13 0.802 -1.980 -5.385 115 H ALA 14 HN ALA 14 5.873 3.772 -4.915 116 HA ALA 14 HA ALA 14 8.514 4.300 -3.895 117 HB1 ALA 14 HB1 ALA 14 8.470 6.242 -5.230 118 HB2 ALA 14 HB2 ALA 14 6.707 6.229 -5.314 119 HB3 ALA 14 HB3 ALA 14 7.643 4.990 -6.162 120 H ASP 15 HN ASP 15 5.238 5.291 -3.109 121 HA ASP 15 HA ASP 15 6.349 7.244 -1.201 122 HB2 ASP 15 HB2 ASP 15 3.841 7.545 -2.880 123 HB3 ASP 15 HB1 ASP 15 4.433 8.696 -1.701 124 HA PRO 16 HA PRO 16 3.909 5.148 1.897 125 HB2 PRO 16 HB2 PRO 16 3.887 7.784 3.236 126 HB3 PRO 16 HB1 PRO 16 4.502 6.236 3.820 127 HG2 PRO 16 HG2 PRO 16 6.158 8.213 3.095 128 HG3 PRO 16 HG1 PRO 16 6.554 6.511 2.794 129 HD2 PRO 16 HD2 PRO 16 5.538 8.589 0.898 130 HD3 PRO 16 HD1 PRO 16 6.747 7.315 0.634 131 H GLY 17 HN GLY 17 3.079 8.307 0.589 132 HA2 GLY 17 HA2 GLY 17 0.390 8.427 1.408 133 HA3 GLY 17 HA1 GLY 17 1.069 9.219 -0.009 134 H ALA 18 HN ALA 18 1.952 6.865 -1.312 135 HA ALA 18 HA ALA 18 -0.475 6.101 -2.595 136 HB1 ALA 18 HB1 ALA 18 1.554 6.264 -3.900 137 HB2 ALA 18 HB2 ALA 18 0.922 4.613 -3.944 138 HB3 ALA 18 HB3 ALA 18 2.307 5.001 -2.925 139 H LEU 19 HN LEU 19 1.572 4.657 -0.126 140 HA LEU 19 HA LEU 19 0.520 2.049 -0.354 141 HB2 LEU 19 HB2 LEU 19 2.224 3.508 1.551 142 HB3 LEU 19 HB1 LEU 19 1.229 2.251 2.279 143 HG LEU 19 HG LEU 19 3.463 1.424 1.685 144 HD11 LEU 19 HD11 LEU 19 2.743 -0.567 0.469 145 HD12 LEU 19 HD12 LEU 19 1.255 0.250 -0.006 146 HD13 LEU 19 HD13 LEU 19 1.555 -0.113 1.694 147 HD21 LEU 19 HD21 LEU 19 4.130 1.199 -0.623 148 HD22 LEU 19 HD22 LEU 19 3.836 2.899 -0.245 149 HD23 LEU 19 HD23 LEU 19 2.638 1.981 -1.157 150 H GLN 20 HN GLN 20 -0.417 4.956 1.332 151 HA GLN 20 HA GLN 20 -2.345 3.585 2.826 152 HB2 GLN 20 HB2 GLN 20 -2.099 6.536 2.325 153 HB3 GLN 20 HB1 GLN 20 -3.224 5.819 3.470 154 HG2 GLN 20 HG2 GLN 20 -1.240 4.821 4.637 155 HG3 GLN 20 HG1 GLN 20 -0.224 5.813 3.592 156 HE21 GLN 20 HE21 GLN 20 -0.239 8.051 3.845 157 HE22 GLN 20 HE22 GLN 20 -0.845 8.803 5.280 158 H ARG 21 HN ARG 21 -2.351 5.353 -0.092 159 HA ARG 21 HA ARG 21 -5.138 5.259 -0.633 160 HB2 ARG 21 HB2 ARG 21 -3.224 6.576 -1.817 161 HB3 ARG 21 HB1 ARG 21 -3.010 5.111 -2.751 162 HG2 ARG 21 HG2 ARG 21 -4.400 6.627 -3.984 163 HG3 ARG 21 HG1 ARG 21 -5.373 5.249 -3.457 164 HD2 ARG 21 HD2 ARG 21 -6.250 6.557 -1.599 165 HD3 ARG 21 HD1 ARG 21 -5.256 7.932 -2.083 166 HE ARG 21 HE ARG 21 -7.547 6.851 -3.603 167 HH11 ARG 21 HH11 ARG 21 -5.256 9.431 -2.940 168 HH12 ARG 21 HH12 ARG 21 -6.154 10.618 -3.849 169 HH21 ARG 21 HH21 ARG 21 -8.709 8.411 -4.794 170 HH22 ARG 21 HH22 ARG 21 -8.109 10.039 -4.890 171 H HIS 22 HN HIS 22 -2.426 3.157 -1.084 172 HA HIS 22 HA HIS 22 -3.714 1.347 -2.892 173 HB2 HIS 22 HB2 HIS 22 -1.226 1.696 -2.630 174 HB3 HIS 22 HB1 HIS 22 -1.323 0.740 -1.165 175 HD1 HIS 22 HD1 HIS 22 -2.119 0.363 -4.880 176 HD2 HIS 22 HD2 HIS 22 -1.096 -1.865 -1.527 177 HE1 HIS 22 HE1 HIS 22 -1.841 -2.023 -5.669 178 H VAL 23 HN VAL 23 -2.921 1.224 0.556 179 HA VAL 23 HA VAL 23 -3.734 -1.424 0.827 180 HB VAL 23 HB VAL 23 -3.428 0.717 2.938 181 HG11 VAL 23 HG11 VAL 23 -3.887 -2.248 3.277 182 HG12 VAL 23 HG12 VAL 23 -4.962 -0.946 3.792 183 HG13 VAL 23 HG13 VAL 23 -3.392 -1.151 4.569 184 HG21 VAL 23 HG21 VAL 23 -1.383 0.065 1.735 185 HG22 VAL 23 HG22 VAL 23 -1.668 -1.618 2.183 186 HG23 VAL 23 HG23 VAL 23 -1.333 -0.418 3.430 187 H ARG 24 HN ARG 24 -5.481 1.606 1.014 188 HA ARG 24 HA ARG 24 -7.862 0.393 2.066 189 HB2 ARG 24 HB2 ARG 24 -8.949 2.499 1.726 190 HB3 ARG 24 HB1 ARG 24 -7.347 2.813 2.371 191 HG2 ARG 24 HG2 ARG 24 -6.558 3.599 0.306 192 HG3 ARG 24 HG1 ARG 24 -7.938 2.929 -0.567 193 HD2 ARG 24 HD2 ARG 24 -8.032 5.180 1.437 194 HD3 ARG 24 HD1 ARG 24 -8.146 5.351 -0.316 195 HE ARG 24 HE ARG 24 -10.127 3.561 0.663 196 HH11 ARG 24 HH11 ARG 24 -9.362 6.976 0.462 197 HH12 ARG 24 HH12 ARG 24 -11.031 7.474 0.483 198 HH21 ARG 24 HH21 ARG 24 -12.301 4.207 0.689 199 HH22 ARG 24 HH22 ARG 24 -12.707 5.899 0.626 200 H ILE 25 HN ILE 25 -6.407 0.541 -1.022 201 HA ILE 25 HA ILE 25 -8.731 0.177 -2.612 202 HB ILE 25 HB ILE 25 -5.833 -0.529 -3.066 203 HG12 ILE 25 HG12 ILE 25 -6.277 1.820 -3.147 204 HG13 ILE 25 HG11 ILE 25 -6.007 1.259 -4.785 205 HG21 ILE 25 HG21 ILE 25 -8.125 -0.891 -4.964 206 HG22 ILE 25 HG22 ILE 25 -7.099 -2.153 -4.285 207 HG23 ILE 25 HG23 ILE 25 -6.421 -0.973 -5.405 208 HD11 ILE 25 HD11 ILE 25 -8.664 1.881 -3.520 209 HD12 ILE 25 HD12 ILE 25 -8.437 1.238 -5.146 210 HD13 ILE 25 HD13 ILE 25 -7.821 2.839 -4.737 211 H HIS 26 HN HIS 26 -6.395 -2.077 -1.144 212 HA HIS 26 HA HIS 26 -7.814 -4.450 -1.782 213 HB2 HIS 26 HB2 HIS 26 -5.904 -3.831 0.476 214 HB3 HIS 26 HB1 HIS 26 -6.600 -5.419 0.215 215 HD1 HIS 26 HD1 HIS 26 -6.167 -5.727 -2.846 216 HD2 HIS 26 HD2 HIS 26 -3.356 -4.242 -0.153 217 HE1 HIS 26 HE1 HIS 26 -3.870 -6.124 -3.892 218 H THR 27 HN THR 27 -7.755 -2.366 1.064 219 HA THR 27 HA THR 27 -9.840 -3.875 2.376 220 HB THR 27 HB THR 27 -8.782 -1.226 3.337 221 HG1 THR 27 HG1 THR 27 -6.924 -2.420 2.873 222 HG21 THR 27 HG21 THR 27 -10.619 -2.251 4.587 223 HG22 THR 27 HG22 THR 27 -9.134 -2.260 5.542 224 HG23 THR 27 HG23 THR 27 -9.687 -3.740 4.756 225 H GLY 28 HN GLY 28 -10.839 -3.034 0.028 226 HA2 GLY 28 HA2 GLY 28 -12.250 -0.537 0.278 227 HA3 GLY 28 HA1 GLY 28 -12.490 -1.756 -0.967 228 H GLU 29 HN GLU 29 -13.055 -1.158 2.466 229 HA GLU 29 HA GLU 29 -15.145 -3.143 2.570 230 HB2 GLU 29 HB2 GLU 29 -14.196 -1.174 4.642 231 HB3 GLU 29 HB1 GLU 29 -15.302 -2.515 4.929 232 HG2 GLU 29 HG2 GLU 29 -12.451 -2.760 3.995 233 HG3 GLU 29 HG1 GLU 29 -13.026 -3.012 5.638 234 H LYS 30 HN LYS 30 -14.844 0.343 2.579 235 HA LYS 30 HA LYS 30 -17.756 0.566 2.280 236 HB2 LYS 30 HB2 LYS 30 -15.937 2.424 3.828 237 HB3 LYS 30 HB1 LYS 30 -17.651 2.690 3.547 238 HG2 LYS 30 HG2 LYS 30 -18.213 0.753 4.864 239 HG3 LYS 30 HG1 LYS 30 -16.506 0.346 5.051 240 HD2 LYS 30 HD2 LYS 30 -16.129 2.393 6.302 241 HD3 LYS 30 HD1 LYS 30 -17.807 2.880 6.056 242 HE2 LYS 30 HE2 LYS 30 -17.463 1.951 8.285 243 HE3 LYS 30 HE1 LYS 30 -18.563 0.950 7.337 244 HZ1 LYS 30 HZ1 LYS 30 -16.909 -0.332 8.608 245 HZ2 LYS 30 HZ2 LYS 30 -15.669 0.381 7.695 246 HZ3 LYS 30 HZ3 LYS 30 -16.813 -0.615 6.943 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 14.587 -3.637 2.769 2 H2 MET 1 HT2 MET 1 14.487 -3.349 1.100 3 H3 MET 1 HT3 MET 1 13.709 -4.696 1.771 4 HA MET 1 HA MET 1 12.092 -3.025 1.295 5 HB2 MET 1 HB2 MET 1 12.689 -3.250 4.253 6 HB3 MET 1 HB1 MET 1 11.173 -2.669 3.583 7 HG2 MET 1 HG2 MET 1 10.828 -4.854 2.517 8 HG3 MET 1 HG1 MET 1 12.325 -5.428 3.251 9 HE1 MET 1 HE1 MET 1 10.962 -7.480 4.253 10 HE2 MET 1 HE2 MET 1 9.454 -6.867 3.572 11 HE3 MET 1 HE3 MET 1 9.535 -7.307 5.277 12 H LYS 2 HN LYS 2 13.953 -1.419 0.450 13 HA LYS 2 HA LYS 2 14.273 0.871 2.168 14 HB2 LYS 2 HB2 LYS 2 15.973 0.258 0.452 15 HB3 LYS 2 HB1 LYS 2 14.809 0.664 -0.802 16 HG2 LYS 2 HG2 LYS 2 16.376 2.481 -0.474 17 HG3 LYS 2 HG1 LYS 2 14.751 2.976 0.007 18 HD2 LYS 2 HD2 LYS 2 15.331 2.534 2.357 19 HD3 LYS 2 HD1 LYS 2 16.966 2.094 1.859 20 HE2 LYS 2 HE2 LYS 2 17.271 4.362 0.949 21 HE3 LYS 2 HE1 LYS 2 15.653 4.789 1.505 22 HZ1 LYS 2 HZ1 LYS 2 17.314 5.543 3.071 23 HZ2 LYS 2 HZ2 LYS 2 17.934 3.973 3.227 24 HZ3 LYS 2 HZ3 LYS 2 16.369 4.328 3.783 25 HA PRO 3 HA PRO 3 10.745 2.672 -0.534 26 HB2 PRO 3 HB2 PRO 3 9.497 1.149 -2.348 27 HB3 PRO 3 HB1 PRO 3 11.007 1.992 -2.743 28 HG2 PRO 3 HG2 PRO 3 10.587 -0.874 -1.963 29 HG3 PRO 3 HG1 PRO 3 11.576 -0.205 -3.272 30 HD2 PRO 3 HD2 PRO 3 12.610 -0.965 -0.869 31 HD3 PRO 3 HD1 PRO 3 13.309 0.330 -1.861 32 H TYR 4 HN TYR 4 8.276 2.228 -0.654 33 HA TYR 4 HA TYR 4 7.652 0.600 1.687 34 HB2 TYR 4 HB2 TYR 4 6.048 2.772 0.290 35 HB3 TYR 4 HB1 TYR 4 5.480 1.828 1.672 36 HD1 TYR 4 HD2 TYR 4 6.555 2.082 3.890 37 HD2 TYR 4 HD1 TYR 4 7.634 4.534 0.584 38 HE1 TYR 4 HE2 TYR 4 7.622 3.681 5.428 39 HE2 TYR 4 HE1 TYR 4 8.697 6.140 2.110 40 HH TYR 4 HH TYR 4 9.492 5.458 5.246 41 H VAL 5 HN VAL 5 6.966 -1.367 1.354 42 HA VAL 5 HA VAL 5 5.712 -2.026 -1.197 43 HB VAL 5 HB VAL 5 6.256 -4.350 -0.690 44 HG11 VAL 5 HG11 VAL 5 8.612 -2.501 -0.366 45 HG12 VAL 5 HG12 VAL 5 7.890 -3.015 -1.892 46 HG13 VAL 5 HG13 VAL 5 8.693 -4.194 -0.855 47 HG21 VAL 5 HG21 VAL 5 6.091 -4.323 1.727 48 HG22 VAL 5 HG22 VAL 5 7.492 -3.257 1.834 49 HG23 VAL 5 HG23 VAL 5 7.684 -4.908 1.244 50 H CYS 6 HN CYS 6 3.789 -3.140 -1.307 51 HA CYS 6 HA CYS 6 1.868 -2.602 0.682 52 HB2 CYS 6 HB2 CYS 6 1.295 -2.945 -1.695 53 HB3 CYS 6 HB1 CYS 6 1.714 -4.645 -1.543 54 H ILE 7 HN ILE 7 1.296 -3.643 2.415 55 HA ILE 7 HA ILE 7 2.920 -5.683 3.460 56 HB ILE 7 HB ILE 7 0.305 -4.501 4.419 57 HG12 ILE 7 HG12 ILE 7 1.865 -3.473 6.160 58 HG13 ILE 7 HG11 ILE 7 3.193 -3.967 5.117 59 HG21 ILE 7 HG21 ILE 7 0.783 -5.500 6.587 60 HG22 ILE 7 HG22 ILE 7 2.178 -6.327 5.896 61 HG23 ILE 7 HG23 ILE 7 0.555 -6.722 5.333 62 HD11 ILE 7 HD11 ILE 7 2.522 -1.603 4.848 63 HD12 ILE 7 HD12 ILE 7 0.949 -2.153 4.264 64 HD13 ILE 7 HD13 ILE 7 2.412 -2.542 3.360 65 H HIS 8 HN HIS 8 -0.030 -5.691 1.627 66 HA HIS 8 HA HIS 8 -0.696 -8.364 2.616 67 HB2 HIS 8 HB2 HIS 8 -2.407 -6.409 2.408 68 HB3 HIS 8 HB1 HIS 8 -2.441 -6.858 0.698 69 HD1 HIS 8 HD1 HIS 8 -3.732 -8.959 0.060 70 HD2 HIS 8 HD2 HIS 8 -3.369 -8.437 4.175 71 HE1 HIS 8 HE1 HIS 8 -5.247 -10.673 1.104 72 HE2 HIS 8 HE2 HIS 8 -4.845 -10.478 3.586 73 H CYS 9 HN CYS 9 -0.039 -6.714 -0.506 74 HA CYS 9 HA CYS 9 -0.106 -9.400 -1.693 75 HB2 CYS 9 HB2 CYS 9 -0.844 -8.460 -3.730 76 HB3 CYS 9 HB1 CYS 9 -1.815 -7.721 -2.472 77 H GLN 10 HN GLN 10 1.973 -7.088 -0.708 78 HA GLN 10 HA GLN 10 4.196 -6.807 -0.856 79 HB2 GLN 10 HB2 GLN 10 3.992 -9.514 -2.155 80 HB3 GLN 10 HB1 GLN 10 5.534 -8.724 -1.813 81 HG2 GLN 10 HG2 GLN 10 4.983 -8.654 0.555 82 HG3 GLN 10 HG1 GLN 10 3.430 -9.421 0.226 83 HE21 GLN 10 HE21 GLN 10 3.339 -11.591 -0.217 84 HE22 GLN 10 HE22 GLN 10 4.702 -12.653 0.017 85 H ARG 11 HN ARG 11 3.045 -5.226 -2.589 86 HA ARG 11 HA ARG 11 4.697 -5.384 -5.006 87 HB2 ARG 11 HB2 ARG 11 2.129 -3.942 -4.383 88 HB3 ARG 11 HB1 ARG 11 3.159 -3.431 -5.715 89 HG2 ARG 11 HG2 ARG 11 2.964 -5.742 -6.645 90 HG3 ARG 11 HG1 ARG 11 1.764 -6.073 -5.390 91 HD2 ARG 11 HD2 ARG 11 0.390 -4.226 -6.218 92 HD3 ARG 11 HD1 ARG 11 1.589 -3.887 -7.463 93 HE ARG 11 HE ARG 11 0.610 -6.581 -7.569 94 HH11 ARG 11 HH11 ARG 11 -0.069 -3.267 -8.506 95 HH12 ARG 11 HH12 ARG 11 -1.094 -3.714 -9.835 96 HH21 ARG 11 HH21 ARG 11 -0.709 -7.174 -9.322 97 HH22 ARG 11 HH22 ARG 11 -1.458 -5.945 -10.302 98 H GLN 12 HN GLN 12 6.123 -3.717 -5.457 99 HA GLN 12 HA GLN 12 6.923 -2.140 -3.163 100 HB2 GLN 12 HB2 GLN 12 8.132 -2.464 -5.913 101 HB3 GLN 12 HB1 GLN 12 8.865 -1.572 -4.591 102 HG2 GLN 12 HG2 GLN 12 9.134 -3.534 -3.293 103 HG3 GLN 12 HG1 GLN 12 8.140 -4.471 -4.402 104 HE21 GLN 12 HE21 GLN 12 10.529 -2.161 -5.478 105 HE22 GLN 12 HE22 GLN 12 11.652 -3.336 -6.119 106 H PHE 13 HN PHE 13 6.537 -0.035 -2.862 107 HA PHE 13 HA PHE 13 5.697 1.580 -5.180 108 HB2 PHE 13 HB2 PHE 13 4.481 1.693 -2.402 109 HB3 PHE 13 HB1 PHE 13 4.098 2.779 -3.742 110 HD1 PHE 13 HD1 PHE 13 3.025 1.863 -5.788 111 HD2 PHE 13 HD2 PHE 13 3.460 -0.420 -2.226 112 HE1 PHE 13 HE1 PHE 13 1.302 0.299 -6.586 113 HE2 PHE 13 HE2 PHE 13 1.742 -1.987 -3.018 114 HZ PHE 13 HZ PHE 13 0.665 -1.629 -5.200 115 H ALA 14 HN ALA 14 6.038 3.841 -4.959 116 HA ALA 14 HA ALA 14 8.656 4.358 -3.846 117 HB1 ALA 14 HB1 ALA 14 6.849 6.274 -5.300 118 HB2 ALA 14 HB2 ALA 14 7.882 5.099 -6.133 119 HB3 ALA 14 HB3 ALA 14 8.607 6.358 -5.128 120 H ASP 15 HN ASP 15 5.371 5.020 -3.084 121 HA ASP 15 HA ASP 15 6.165 7.232 -1.306 122 HB2 ASP 15 HB2 ASP 15 3.587 6.934 -2.861 123 HB3 ASP 15 HB1 ASP 15 4.019 8.275 -1.818 124 HA PRO 16 HA PRO 16 4.059 4.855 1.868 125 HB2 PRO 16 HB2 PRO 16 3.943 6.877 3.708 126 HB3 PRO 16 HB1 PRO 16 5.378 5.880 3.447 127 HG2 PRO 16 HG2 PRO 16 4.768 8.629 2.465 128 HG3 PRO 16 HG1 PRO 16 6.305 7.957 3.035 129 HD2 PRO 16 HD2 PRO 16 5.707 8.307 0.400 130 HD3 PRO 16 HD1 PRO 16 6.796 7.032 0.987 131 H GLY 17 HN GLY 17 3.182 7.981 0.613 132 HA2 GLY 17 HA2 GLY 17 0.500 8.064 1.509 133 HA3 GLY 17 HA1 GLY 17 1.162 8.936 0.130 134 H ALA 18 HN ALA 18 2.102 6.434 -1.122 135 HA ALA 18 HA ALA 18 -0.343 5.788 -2.487 136 HB1 ALA 18 HB1 ALA 18 1.024 4.296 -3.849 137 HB2 ALA 18 HB2 ALA 18 2.414 4.624 -2.810 138 HB3 ALA 18 HB3 ALA 18 1.702 5.924 -3.771 139 H LEU 19 HN LEU 19 1.556 4.384 0.078 140 HA LEU 19 HA LEU 19 0.477 1.786 -0.145 141 HB2 LEU 19 HB2 LEU 19 2.160 3.248 1.767 142 HB3 LEU 19 HB1 LEU 19 1.115 2.036 2.505 143 HG LEU 19 HG LEU 19 3.362 1.167 1.977 144 HD11 LEU 19 HD11 LEU 19 1.495 -0.372 2.066 145 HD12 LEU 19 HD12 LEU 19 2.608 -0.854 0.786 146 HD13 LEU 19 HD13 LEU 19 1.100 -0.031 0.382 147 HD21 LEU 19 HD21 LEU 19 4.028 0.816 -0.325 148 HD22 LEU 19 HD22 LEU 19 3.780 2.537 -0.016 149 HD23 LEU 19 HD23 LEU 19 2.559 1.613 -0.893 150 H GLN 20 HN GLN 20 -0.474 4.745 1.474 151 HA GLN 20 HA GLN 20 -2.513 3.412 2.874 152 HB2 GLN 20 HB2 GLN 20 -3.214 5.535 3.737 153 HB3 GLN 20 HB1 GLN 20 -1.460 5.519 3.688 154 HG2 GLN 20 HG2 GLN 20 -1.487 6.808 1.637 155 HG3 GLN 20 HG1 GLN 20 -3.248 6.827 1.668 156 HE21 GLN 20 HE21 GLN 20 -3.344 9.058 1.769 157 HE22 GLN 20 HE22 GLN 20 -2.927 9.942 3.197 158 H ARG 21 HN ARG 21 -2.262 5.215 0.016 159 HA ARG 21 HA ARG 21 -4.944 5.277 -0.842 160 HB2 ARG 21 HB2 ARG 21 -2.838 6.369 -1.861 161 HB3 ARG 21 HB1 ARG 21 -2.561 4.826 -2.635 162 HG2 ARG 21 HG2 ARG 21 -3.624 6.184 -4.233 163 HG3 ARG 21 HG1 ARG 21 -4.844 5.044 -3.664 164 HD2 ARG 21 HD2 ARG 21 -4.581 7.731 -2.385 165 HD3 ARG 21 HD1 ARG 21 -5.437 7.564 -3.912 166 HE ARG 21 HE ARG 21 -6.581 5.663 -2.355 167 HH11 ARG 21 HH11 ARG 21 -5.983 9.090 -1.880 168 HH12 ARG 21 HH12 ARG 21 -7.419 9.333 -0.923 169 HH21 ARG 21 HH21 ARG 21 -8.449 5.982 -1.111 170 HH22 ARG 21 HH22 ARG 21 -8.816 7.558 -0.479 171 H HIS 22 HN HIS 22 -2.376 2.953 -0.985 172 HA HIS 22 HA HIS 22 -3.612 1.120 -2.771 173 HB2 HIS 22 HB2 HIS 22 -1.141 1.359 -2.160 174 HB3 HIS 22 HB1 HIS 22 -1.520 0.380 -0.754 175 HD1 HIS 22 HD1 HIS 22 -1.741 0.138 -4.562 176 HD2 HIS 22 HD2 HIS 22 -1.478 -2.234 -1.158 177 HE1 HIS 22 HE1 HIS 22 -1.522 -2.246 -5.369 178 H VAL 23 HN VAL 23 -3.316 1.212 0.766 179 HA VAL 23 HA VAL 23 -4.326 -1.381 1.059 180 HB VAL 23 HB VAL 23 -4.310 0.829 3.127 181 HG11 VAL 23 HG11 VAL 23 -5.901 -0.906 3.722 182 HG12 VAL 23 HG12 VAL 23 -4.482 -1.003 4.766 183 HG13 VAL 23 HG13 VAL 23 -4.682 -2.148 3.437 184 HG21 VAL 23 HG21 VAL 23 -2.288 -0.262 3.960 185 HG22 VAL 23 HG22 VAL 23 -2.079 0.263 2.289 186 HG23 VAL 23 HG23 VAL 23 -2.376 -1.438 2.648 187 H ARG 24 HN ARG 24 -5.849 1.803 1.029 188 HA ARG 24 HA ARG 24 -8.470 1.015 1.618 189 HB2 ARG 24 HB2 ARG 24 -7.409 3.243 -0.115 190 HB3 ARG 24 HB1 ARG 24 -9.097 3.084 0.364 191 HG2 ARG 24 HG2 ARG 24 -6.911 3.147 2.400 192 HG3 ARG 24 HG1 ARG 24 -7.579 4.628 1.725 193 HD2 ARG 24 HD2 ARG 24 -9.796 4.020 2.480 194 HD3 ARG 24 HD1 ARG 24 -9.204 2.456 3.037 195 HE ARG 24 HE ARG 24 -7.691 4.182 4.447 196 HH11 ARG 24 HH11 ARG 24 -11.140 3.931 3.934 197 HH12 ARG 24 HH12 ARG 24 -11.557 4.619 5.471 198 HH21 ARG 24 HH21 ARG 24 -8.225 5.062 6.477 199 HH22 ARG 24 HH22 ARG 24 -9.886 5.230 6.937 200 H ILE 25 HN ILE 25 -6.550 0.645 -1.243 201 HA ILE 25 HA ILE 25 -8.628 0.109 -3.084 202 HB ILE 25 HB ILE 25 -5.708 -0.656 -3.034 203 HG12 ILE 25 HG12 ILE 25 -7.223 1.331 -4.731 204 HG13 ILE 25 HG11 ILE 25 -6.275 1.727 -3.312 205 HG21 ILE 25 HG21 ILE 25 -6.846 -2.334 -4.322 206 HG22 ILE 25 HG22 ILE 25 -5.955 -1.252 -5.395 207 HG23 ILE 25 HG23 ILE 25 -7.701 -1.089 -5.233 208 HD11 ILE 25 HD11 ILE 25 -4.263 0.912 -4.412 209 HD12 ILE 25 HD12 ILE 25 -5.041 2.197 -5.340 210 HD13 ILE 25 HD13 ILE 25 -5.216 0.515 -5.844 211 H HIS 26 HN HIS 26 -6.653 -1.983 -0.982 212 HA HIS 26 HA HIS 26 -7.796 -4.418 -1.903 213 HB2 HIS 26 HB2 HIS 26 -6.190 -3.694 0.529 214 HB3 HIS 26 HB1 HIS 26 -6.922 -5.286 0.383 215 HD1 HIS 26 HD1 HIS 26 -6.272 -5.941 -2.577 216 HD2 HIS 26 HD2 HIS 26 -3.613 -4.199 0.113 217 HE1 HIS 26 HE1 HIS 26 -3.935 -6.493 -3.412 218 H THR 27 HN THR 27 -8.529 -2.302 0.853 219 HA THR 27 HA THR 27 -10.521 -4.048 1.908 220 HB THR 27 HB THR 27 -9.395 -2.441 3.363 221 HG1 THR 27 HG1 THR 27 -11.447 -1.412 4.207 222 HG21 THR 27 HG21 THR 27 -10.878 -0.307 1.836 223 HG22 THR 27 HG22 THR 27 -9.141 -0.601 1.763 224 HG23 THR 27 HG23 THR 27 -9.880 -0.060 3.269 225 H GLY 28 HN GLY 28 -10.524 -1.482 -0.466 226 HA2 GLY 28 HA2 GLY 28 -12.097 -1.316 -2.191 227 HA3 GLY 28 HA1 GLY 28 -13.178 -2.354 -1.275 228 H GLU 29 HN GLU 29 -12.430 -0.385 1.039 229 HA GLU 29 HA GLU 29 -14.814 0.996 1.168 230 HB2 GLU 29 HB2 GLU 29 -12.154 1.717 2.402 231 HB3 GLU 29 HB1 GLU 29 -13.698 2.413 2.877 232 HG2 GLU 29 HG2 GLU 29 -14.489 0.243 3.591 233 HG3 GLU 29 HG1 GLU 29 -12.989 -0.505 3.045 234 H LYS 30 HN LYS 30 -11.681 2.186 0.041 235 HA LYS 30 HA LYS 30 -13.111 4.299 -1.408 236 HB2 LYS 30 HB2 LYS 30 -10.593 4.537 0.219 237 HB3 LYS 30 HB1 LYS 30 -10.885 5.622 -1.131 238 HG2 LYS 30 HG2 LYS 30 -11.620 6.788 0.756 239 HG3 LYS 30 HG1 LYS 30 -13.092 6.186 -0.003 240 HD2 LYS 30 HD2 LYS 30 -13.217 4.376 1.610 241 HD3 LYS 30 HD1 LYS 30 -11.685 4.878 2.327 242 HE2 LYS 30 HE2 LYS 30 -13.473 5.681 3.712 243 HE3 LYS 30 HE1 LYS 30 -12.731 7.058 2.902 244 HZ1 LYS 30 HZ1 LYS 30 -15.062 7.337 2.790 245 HZ2 LYS 30 HZ2 LYS 30 -15.317 5.754 2.240 246 HZ3 LYS 30 HZ3 LYS 30 -14.568 6.894 1.231 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 11.636 -2.754 2.530 2 H2 MET 1 HT2 MET 1 12.464 -1.755 1.446 3 H3 MET 1 HT3 MET 1 10.969 -1.266 2.075 4 HA MET 1 HA MET 1 11.857 -1.104 4.266 5 HB2 MET 1 HB2 MET 1 14.301 -1.332 4.633 6 HB3 MET 1 HB1 MET 1 13.521 -2.844 4.202 7 HG2 MET 1 HG2 MET 1 14.339 -2.594 1.905 8 HG3 MET 1 HG1 MET 1 15.148 -1.097 2.364 9 HE1 MET 1 HE1 MET 1 15.023 -4.995 2.790 10 HE2 MET 1 HE2 MET 1 14.785 -4.430 4.443 11 HE3 MET 1 HE3 MET 1 16.273 -5.268 4.004 12 H LYS 2 HN LYS 2 13.825 -0.171 1.413 13 HA LYS 2 HA LYS 2 13.955 2.542 2.402 14 HB2 LYS 2 HB2 LYS 2 14.923 1.352 -0.201 15 HB3 LYS 2 HB1 LYS 2 15.194 3.016 0.303 16 HG2 LYS 2 HG2 LYS 2 16.454 2.238 2.238 17 HG3 LYS 2 HG1 LYS 2 16.174 0.564 1.757 18 HD2 LYS 2 HD2 LYS 2 17.417 0.937 -0.305 19 HD3 LYS 2 HD1 LYS 2 17.655 2.632 0.130 20 HE2 LYS 2 HE2 LYS 2 18.917 1.953 2.107 21 HE3 LYS 2 HE1 LYS 2 18.669 0.259 1.694 22 HZ1 LYS 2 HZ1 LYS 2 20.850 1.047 1.011 23 HZ2 LYS 2 HZ2 LYS 2 20.142 2.240 0.038 24 HZ3 LYS 2 HZ3 LYS 2 19.923 0.600 -0.336 25 HA PRO 3 HA PRO 3 10.505 3.140 -0.816 26 HB2 PRO 3 HB2 PRO 3 9.735 1.148 -2.422 27 HB3 PRO 3 HB1 PRO 3 11.100 2.192 -2.863 28 HG2 PRO 3 HG2 PRO 3 11.123 -0.551 -1.654 29 HG3 PRO 3 HG1 PRO 3 12.110 0.100 -2.973 30 HD2 PRO 3 HD2 PRO 3 12.979 -0.095 -0.384 31 HD3 PRO 3 HD1 PRO 3 13.584 1.113 -1.534 32 H TYR 4 HN TYR 4 8.185 2.196 -0.951 33 HA TYR 4 HA TYR 4 7.796 0.642 1.507 34 HB2 TYR 4 HB2 TYR 4 6.074 2.813 0.274 35 HB3 TYR 4 HB1 TYR 4 5.546 1.771 1.600 36 HD1 TYR 4 HD1 TYR 4 7.842 4.465 0.642 37 HD2 TYR 4 HD2 TYR 4 6.457 2.023 3.843 38 HE1 TYR 4 HE1 TYR 4 8.887 5.994 2.256 39 HE2 TYR 4 HE2 TYR 4 7.503 3.550 5.462 40 HH TYR 4 HH TYR 4 8.734 6.641 4.530 41 H VAL 5 HN VAL 5 7.026 -1.314 1.259 42 HA VAL 5 HA VAL 5 5.761 -1.994 -1.290 43 HB VAL 5 HB VAL 5 6.364 -4.300 -0.816 44 HG11 VAL 5 HG11 VAL 5 8.806 -4.094 -0.973 45 HG12 VAL 5 HG12 VAL 5 8.679 -2.403 -0.487 46 HG13 VAL 5 HG13 VAL 5 7.971 -2.939 -2.011 47 HG21 VAL 5 HG21 VAL 5 7.790 -4.869 1.109 48 HG22 VAL 5 HG22 VAL 5 6.195 -4.299 1.601 49 HG23 VAL 5 HG23 VAL 5 7.590 -3.226 1.718 50 H CYS 6 HN CYS 6 3.837 -3.084 -1.370 51 HA CYS 6 HA CYS 6 1.950 -2.624 0.669 52 HB2 CYS 6 HB2 CYS 6 1.362 -2.927 -1.727 53 HB3 CYS 6 HB1 CYS 6 1.774 -4.629 -1.594 54 H ILE 7 HN ILE 7 1.655 -3.666 2.500 55 HA ILE 7 HA ILE 7 3.158 -5.969 3.187 56 HB ILE 7 HB ILE 7 0.915 -4.509 4.607 57 HG12 ILE 7 HG12 ILE 7 2.867 -3.829 6.126 58 HG13 ILE 7 HG11 ILE 7 3.927 -4.403 4.845 59 HG21 ILE 7 HG21 ILE 7 1.629 -5.711 6.630 60 HG22 ILE 7 HG22 ILE 7 2.708 -6.694 5.639 61 HG23 ILE 7 HG23 ILE 7 0.964 -6.775 5.393 62 HD11 ILE 7 HD11 ILE 7 3.584 -1.977 4.789 63 HD12 ILE 7 HD12 ILE 7 1.858 -2.242 4.535 64 HD13 ILE 7 HD13 ILE 7 3.020 -2.771 3.317 65 H HIS 8 HN HIS 8 0.063 -5.408 1.797 66 HA HIS 8 HA HIS 8 -1.083 -7.859 2.820 67 HB2 HIS 8 HB2 HIS 8 -2.374 -5.697 2.508 68 HB3 HIS 8 HB1 HIS 8 -2.313 -6.016 0.772 69 HD1 HIS 8 HD1 HIS 8 -3.855 -7.275 3.963 70 HD2 HIS 8 HD2 HIS 8 -4.069 -7.981 -0.130 71 HE1 HIS 8 HE1 HIS 8 -5.870 -8.736 3.630 72 HE2 HIS 8 HE2 HIS 8 -5.828 -9.343 1.185 73 H CYS 9 HN CYS 9 0.092 -6.664 -0.345 74 HA CYS 9 HA CYS 9 -0.313 -9.412 -1.306 75 HB2 CYS 9 HB2 CYS 9 -1.029 -8.616 -3.408 76 HB3 CYS 9 HB1 CYS 9 -1.927 -7.701 -2.211 77 H GLN 10 HN GLN 10 1.942 -7.072 -0.658 78 HA GLN 10 HA GLN 10 4.176 -6.930 -0.966 79 HB2 GLN 10 HB2 GLN 10 3.798 -9.617 -2.297 80 HB3 GLN 10 HB1 GLN 10 5.373 -8.883 -2.001 81 HG2 GLN 10 HG2 GLN 10 5.124 -9.046 0.333 82 HG3 GLN 10 HG1 GLN 10 3.397 -9.375 0.206 83 HE21 GLN 10 HE21 GLN 10 2.695 -11.410 -0.362 84 HE22 GLN 10 HE22 GLN 10 3.743 -12.804 -0.316 85 H ARG 11 HN ARG 11 3.639 -5.091 -2.344 86 HA ARG 11 HA ARG 11 4.888 -5.432 -4.946 87 HB2 ARG 11 HB2 ARG 11 2.369 -5.366 -5.216 88 HB3 ARG 11 HB1 ARG 11 2.428 -3.728 -4.555 89 HG2 ARG 11 HG2 ARG 11 4.035 -3.165 -6.371 90 HG3 ARG 11 HG1 ARG 11 3.663 -4.730 -7.087 91 HD2 ARG 11 HD2 ARG 11 1.720 -2.485 -6.560 92 HD3 ARG 11 HD1 ARG 11 2.339 -2.987 -8.132 93 HE ARG 11 HE ARG 11 1.028 -5.126 -6.765 94 HH11 ARG 11 HH11 ARG 11 0.518 -2.283 -8.752 95 HH12 ARG 11 HH12 ARG 11 -1.043 -2.802 -9.313 96 HH21 ARG 11 HH21 ARG 11 -1.044 -5.796 -7.482 97 HH22 ARG 11 HH22 ARG 11 -1.941 -4.780 -8.577 98 H GLN 12 HN GLN 12 6.068 -3.572 -5.587 99 HA GLN 12 HA GLN 12 6.888 -1.983 -3.296 100 HB2 GLN 12 HB2 GLN 12 8.043 -2.252 -6.070 101 HB3 GLN 12 HB1 GLN 12 8.767 -1.332 -4.764 102 HG2 GLN 12 HG2 GLN 12 9.121 -3.302 -3.472 103 HG3 GLN 12 HG1 GLN 12 8.200 -4.271 -4.616 104 HE21 GLN 12 HE21 GLN 12 10.434 -1.779 -5.601 105 HE22 GLN 12 HE22 GLN 12 11.641 -2.847 -6.257 106 H PHE 13 HN PHE 13 6.420 0.079 -2.969 107 HA PHE 13 HA PHE 13 5.600 1.732 -5.267 108 HB2 PHE 13 HB2 PHE 13 4.353 1.666 -2.513 109 HB3 PHE 13 HB1 PHE 13 4.046 2.944 -3.697 110 HD1 PHE 13 HD1 PHE 13 2.930 2.369 -5.847 111 HD2 PHE 13 HD2 PHE 13 3.271 -0.409 -2.640 112 HE1 PHE 13 HE1 PHE 13 1.128 1.015 -6.829 113 HE2 PHE 13 HE2 PHE 13 1.473 -1.766 -3.617 114 HZ PHE 13 HZ PHE 13 0.432 -1.062 -5.766 115 H ALA 14 HN ALA 14 5.694 4.139 -4.644 116 HA ALA 14 HA ALA 14 8.451 4.489 -3.722 117 HB1 ALA 14 HB1 ALA 14 8.448 6.512 -5.040 118 HB2 ALA 14 HB2 ALA 14 6.722 6.327 -5.355 119 HB3 ALA 14 HB3 ALA 14 7.871 5.155 -6.009 120 H ASP 15 HN ASP 15 5.456 4.892 -2.377 121 HA ASP 15 HA ASP 15 6.439 6.858 -0.480 122 HB2 ASP 15 HB2 ASP 15 5.228 8.006 -2.564 123 HB3 ASP 15 HB1 ASP 15 3.800 7.493 -1.708 124 HA PRO 16 HA PRO 16 3.555 4.616 2.187 125 HB2 PRO 16 HB2 PRO 16 3.374 7.154 3.688 126 HB3 PRO 16 HB1 PRO 16 3.905 5.562 4.240 127 HG2 PRO 16 HG2 PRO 16 5.647 7.567 3.889 128 HG3 PRO 16 HG1 PRO 16 6.073 5.884 3.524 129 HD2 PRO 16 HD2 PRO 16 5.298 8.090 1.647 130 HD3 PRO 16 HD1 PRO 16 6.564 6.857 1.467 131 H GLY 17 HN GLY 17 3.131 7.749 0.782 132 HA2 GLY 17 HA2 GLY 17 0.402 8.194 1.057 133 HA3 GLY 17 HA1 GLY 17 1.393 8.688 -0.322 134 H ALA 18 HN ALA 18 2.124 6.370 -1.458 135 HA ALA 18 HA ALA 18 -0.282 5.569 -2.758 136 HB1 ALA 18 HB1 ALA 18 2.492 4.426 -2.992 137 HB2 ALA 18 HB2 ALA 18 1.781 5.673 -4.020 138 HB3 ALA 18 HB3 ALA 18 1.122 4.034 -4.030 139 H LEU 19 HN LEU 19 1.567 4.336 -0.087 140 HA LEU 19 HA LEU 19 0.564 1.679 -0.248 141 HB2 LEU 19 HB2 LEU 19 2.240 3.239 1.599 142 HB3 LEU 19 HB1 LEU 19 1.225 2.036 2.389 143 HG LEU 19 HG LEU 19 3.507 1.220 1.842 144 HD11 LEU 19 HD11 LEU 19 2.777 -0.904 0.892 145 HD12 LEU 19 HD12 LEU 19 1.253 -0.166 0.396 146 HD13 LEU 19 HD13 LEU 19 1.639 -0.328 2.110 147 HD21 LEU 19 HD21 LEU 19 3.828 2.450 -0.238 148 HD22 LEU 19 HD22 LEU 19 2.555 1.501 -1.003 149 HD23 LEU 19 HD23 LEU 19 4.047 0.718 -0.485 150 H GLN 20 HN GLN 20 -0.361 4.676 1.300 151 HA GLN 20 HA GLN 20 -2.408 3.390 2.746 152 HB2 GLN 20 HB2 GLN 20 -2.960 5.481 3.686 153 HB3 GLN 20 HB1 GLN 20 -1.222 5.514 3.450 154 HG2 GLN 20 HG2 GLN 20 -1.508 6.800 1.411 155 HG3 GLN 20 HG1 GLN 20 -3.256 6.792 1.651 156 HE21 GLN 20 HE21 GLN 20 -4.138 7.996 3.335 157 HE22 GLN 20 HE22 GLN 20 -3.257 9.263 4.121 158 H ARG 21 HN ARG 21 -2.131 5.116 -0.170 159 HA ARG 21 HA ARG 21 -4.877 5.194 -0.892 160 HB2 ARG 21 HB2 ARG 21 -2.387 5.871 -2.103 161 HB3 ARG 21 HB1 ARG 21 -3.223 4.792 -3.211 162 HG2 ARG 21 HG2 ARG 21 -3.799 7.010 -3.802 163 HG3 ARG 21 HG1 ARG 21 -5.215 6.296 -3.026 164 HD2 ARG 21 HD2 ARG 21 -4.525 7.373 -0.905 165 HD3 ARG 21 HD1 ARG 21 -3.218 8.172 -1.777 166 HE ARG 21 HE ARG 21 -5.737 8.663 -3.010 167 HH11 ARG 21 HH11 ARG 21 -3.611 9.688 -0.428 168 HH12 ARG 21 HH12 ARG 21 -4.425 11.205 -0.183 169 HH21 ARG 21 HH21 ARG 21 -6.794 10.662 -2.726 170 HH22 ARG 21 HH22 ARG 21 -6.220 11.777 -1.519 171 H HIS 22 HN HIS 22 -2.334 2.837 -1.077 172 HA HIS 22 HA HIS 22 -3.629 1.048 -2.886 173 HB2 HIS 22 HB2 HIS 22 -1.145 1.256 -2.338 174 HB3 HIS 22 HB1 HIS 22 -1.495 0.296 -0.917 175 HD1 HIS 22 HD1 HIS 22 -2.027 -0.012 -4.699 176 HD2 HIS 22 HD2 HIS 22 -1.286 -2.281 -1.297 177 HE1 HIS 22 HE1 HIS 22 -1.696 -2.391 -5.491 178 H VAL 23 HN VAL 23 -3.170 1.098 0.630 179 HA VAL 23 HA VAL 23 -4.265 -1.453 0.957 180 HB VAL 23 HB VAL 23 -3.972 0.763 2.999 181 HG11 VAL 23 HG11 VAL 23 -5.714 -0.832 3.682 182 HG12 VAL 23 HG12 VAL 23 -4.282 -0.952 4.703 183 HG13 VAL 23 HG13 VAL 23 -4.576 -2.161 3.452 184 HG21 VAL 23 HG21 VAL 23 -2.037 -0.542 3.756 185 HG22 VAL 23 HG22 VAL 23 -1.857 -0.037 2.075 186 HG23 VAL 23 HG23 VAL 23 -2.310 -1.700 2.455 187 H ARG 24 HN ARG 24 -5.659 1.785 0.995 188 HA ARG 24 HA ARG 24 -8.281 1.105 1.701 189 HB2 ARG 24 HB2 ARG 24 -7.256 3.302 -0.098 190 HB3 ARG 24 HB1 ARG 24 -8.914 3.187 0.481 191 HG2 ARG 24 HG2 ARG 24 -8.025 3.266 2.805 192 HG3 ARG 24 HG1 ARG 24 -6.431 3.578 2.128 193 HD2 ARG 24 HD2 ARG 24 -7.741 5.611 2.869 194 HD3 ARG 24 HD1 ARG 24 -7.092 5.651 1.230 195 HE ARG 24 HE ARG 24 -9.365 5.048 0.467 196 HH11 ARG 24 HH11 ARG 24 -8.984 6.516 3.635 197 HH12 ARG 24 HH12 ARG 24 -10.580 7.198 3.634 198 HH21 ARG 24 HH21 ARG 24 -11.456 5.911 0.492 199 HH22 ARG 24 HH22 ARG 24 -11.990 6.860 1.850 200 H ILE 25 HN ILE 25 -6.518 0.694 -1.275 201 HA ILE 25 HA ILE 25 -8.739 0.183 -2.962 202 HB ILE 25 HB ILE 25 -5.824 -0.550 -3.141 203 HG12 ILE 25 HG12 ILE 25 -6.258 1.775 -3.472 204 HG13 ILE 25 HG11 ILE 25 -5.887 1.069 -5.031 205 HG21 ILE 25 HG21 ILE 25 -7.985 -1.138 -5.131 206 HG22 ILE 25 HG22 ILE 25 -6.946 -2.298 -4.299 207 HG23 ILE 25 HG23 ILE 25 -6.262 -1.184 -5.483 208 HD11 ILE 25 HD11 ILE 25 -8.644 1.706 -4.013 209 HD12 ILE 25 HD12 ILE 25 -8.246 1.037 -5.596 210 HD13 ILE 25 HD13 ILE 25 -7.720 2.665 -5.169 211 H HIS 26 HN HIS 26 -6.574 -1.921 -1.080 212 HA HIS 26 HA HIS 26 -7.843 -4.362 -1.749 213 HB2 HIS 26 HB2 HIS 26 -6.106 -3.523 0.559 214 HB3 HIS 26 HB1 HIS 26 -6.820 -5.126 0.497 215 HD1 HIS 26 HD1 HIS 26 -6.297 -5.823 -2.498 216 HD2 HIS 26 HD2 HIS 26 -3.530 -4.077 0.085 217 HE1 HIS 26 HE1 HIS 26 -3.985 -6.421 -3.392 218 H THR 27 HN THR 27 -8.527 -1.882 0.596 219 HA THR 27 HA THR 27 -10.532 -3.541 1.910 220 HB THR 27 HB THR 27 -9.988 -0.661 2.591 221 HG1 THR 27 HG1 THR 27 -7.949 -1.708 2.582 222 HG21 THR 27 HG21 THR 27 -11.883 -1.788 3.675 223 HG22 THR 27 HG22 THR 27 -10.611 -1.413 4.839 224 HG23 THR 27 HG23 THR 27 -10.798 -3.061 4.239 225 H GLY 28 HN GLY 28 -10.914 -2.814 -0.851 226 HA2 GLY 28 HA2 GLY 28 -12.948 -0.746 -0.885 227 HA3 GLY 28 HA1 GLY 28 -12.425 -1.726 -2.249 228 H GLU 29 HN GLU 29 -13.946 -2.242 0.909 229 HA GLU 29 HA GLU 29 -15.498 -4.443 -0.179 230 HB2 GLU 29 HB2 GLU 29 -15.191 -3.353 2.621 231 HB3 GLU 29 HB1 GLU 29 -16.196 -4.736 2.208 232 HG2 GLU 29 HG2 GLU 29 -14.270 -5.970 1.455 233 HG3 GLU 29 HG1 GLU 29 -13.232 -4.569 1.710 234 H LYS 30 HN LYS 30 -15.871 -1.127 0.531 235 HA LYS 30 HA LYS 30 -18.780 -1.366 0.154 236 HB2 LYS 30 HB2 LYS 30 -17.246 0.771 1.646 237 HB3 LYS 30 HB1 LYS 30 -18.983 0.783 1.367 238 HG2 LYS 30 HG2 LYS 30 -19.239 -1.222 2.703 239 HG3 LYS 30 HG1 LYS 30 -17.491 -1.315 2.930 240 HD2 LYS 30 HD2 LYS 30 -17.524 0.831 4.098 241 HD3 LYS 30 HD1 LYS 30 -19.268 0.941 3.860 242 HE2 LYS 30 HE2 LYS 30 -17.815 -1.174 5.445 243 HE3 LYS 30 HE1 LYS 30 -18.739 0.173 6.111 244 HZ1 LYS 30 HZ1 LYS 30 -20.136 -1.698 6.179 245 HZ2 LYS 30 HZ2 LYS 30 -19.755 -2.164 4.596 246 HZ3 LYS 30 HZ3 LYS 30 -20.695 -0.774 4.868 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 15.631 5.425 -2.678 2 H2 MET 1 HT2 MET 1 14.420 4.530 -3.452 3 H3 MET 1 HT3 MET 1 15.988 4.563 -4.095 4 HA MET 1 HA MET 1 15.575 2.481 -2.980 5 HB2 MET 1 HB2 MET 1 17.479 4.295 -1.475 6 HB3 MET 1 HB1 MET 1 17.474 2.539 -1.375 7 HG2 MET 1 HG2 MET 1 18.008 2.394 -3.748 8 HG3 MET 1 HG1 MET 1 17.997 4.153 -3.863 9 HE1 MET 1 HE1 MET 1 20.392 4.150 -4.943 10 HE2 MET 1 HE2 MET 1 20.437 2.387 -4.865 11 HE3 MET 1 HE3 MET 1 21.790 3.332 -4.245 12 H LYS 2 HN LYS 2 15.492 1.459 -0.746 13 HA LYS 2 HA LYS 2 14.103 0.953 0.979 14 HB2 LYS 2 HB2 LYS 2 14.551 3.891 1.494 15 HB3 LYS 2 HB1 LYS 2 13.610 2.879 2.581 16 HG2 LYS 2 HG2 LYS 2 16.470 2.339 1.814 17 HG3 LYS 2 HG1 LYS 2 15.968 3.191 3.276 18 HD2 LYS 2 HD2 LYS 2 14.707 1.205 3.981 19 HD3 LYS 2 HD1 LYS 2 15.248 0.357 2.529 20 HE2 LYS 2 HE2 LYS 2 17.564 0.563 3.256 21 HE3 LYS 2 HE1 LYS 2 17.047 1.454 4.689 22 HZ1 LYS 2 HZ1 LYS 2 16.271 -1.338 4.043 23 HZ2 LYS 2 HZ2 LYS 2 15.861 -0.482 5.450 24 HZ3 LYS 2 HZ3 LYS 2 17.476 -0.895 5.154 25 HA PRO 3 HA PRO 3 10.437 2.507 -1.380 26 HB2 PRO 3 HB2 PRO 3 9.520 0.151 -2.269 27 HB3 PRO 3 HB1 PRO 3 10.863 0.981 -3.077 28 HG2 PRO 3 HG2 PRO 3 10.931 -1.288 -1.128 29 HG3 PRO 3 HG1 PRO 3 11.843 -1.071 -2.629 30 HD2 PRO 3 HD2 PRO 3 12.862 -0.540 -0.145 31 HD3 PRO 3 HD1 PRO 3 13.416 0.267 -1.625 32 H TYR 4 HN TYR 4 8.138 1.810 -1.175 33 HA TYR 4 HA TYR 4 7.611 0.827 1.540 34 HB2 TYR 4 HB2 TYR 4 6.013 2.814 -0.119 35 HB3 TYR 4 HB1 TYR 4 5.597 2.244 1.498 36 HD1 TYR 4 HD1 TYR 4 7.872 4.357 -0.440 37 HD2 TYR 4 HD2 TYR 4 6.795 3.024 3.454 38 HE1 TYR 4 HE1 TYR 4 9.194 6.181 0.543 39 HE2 TYR 4 HE2 TYR 4 8.115 4.842 4.450 40 HH TYR 4 HH TYR 4 9.275 7.470 2.638 41 H VAL 5 HN VAL 5 7.110 -1.253 1.275 42 HA VAL 5 HA VAL 5 5.809 -2.103 -1.172 43 HB VAL 5 HB VAL 5 6.410 -4.332 -0.581 44 HG11 VAL 5 HG11 VAL 5 8.820 -4.160 -0.460 45 HG12 VAL 5 HG12 VAL 5 8.693 -2.507 0.141 46 HG13 VAL 5 HG13 VAL 5 8.171 -2.889 -1.499 47 HG21 VAL 5 HG21 VAL 5 7.315 -3.271 2.097 48 HG22 VAL 5 HG22 VAL 5 7.499 -4.929 1.520 49 HG23 VAL 5 HG23 VAL 5 5.889 -4.269 1.811 50 H CYS 6 HN CYS 6 3.880 -3.061 -1.330 51 HA CYS 6 HA CYS 6 1.868 -2.646 0.598 52 HB2 CYS 6 HB2 CYS 6 1.569 -2.968 -1.895 53 HB3 CYS 6 HB1 CYS 6 1.839 -4.681 -1.635 54 H ILE 7 HN ILE 7 1.560 -3.732 2.429 55 HA ILE 7 HA ILE 7 2.984 -6.099 3.068 56 HB ILE 7 HB ILE 7 0.729 -4.670 4.499 57 HG12 ILE 7 HG12 ILE 7 2.662 -4.061 6.076 58 HG13 ILE 7 HG11 ILE 7 3.732 -4.563 4.773 59 HG21 ILE 7 HG21 ILE 7 2.532 -6.839 5.530 60 HG22 ILE 7 HG22 ILE 7 0.820 -7.003 5.149 61 HG23 ILE 7 HG23 ILE 7 1.330 -5.951 6.467 62 HD11 ILE 7 HD11 ILE 7 2.855 -2.853 3.333 63 HD12 ILE 7 HD12 ILE 7 3.351 -2.130 4.867 64 HD13 ILE 7 HD13 ILE 7 1.643 -2.413 4.537 65 H HIS 8 HN HIS 8 0.009 -5.445 1.517 66 HA HIS 8 HA HIS 8 -1.298 -7.846 2.489 67 HB2 HIS 8 HB2 HIS 8 -2.440 -5.586 2.113 68 HB3 HIS 8 HB1 HIS 8 -2.382 -5.973 0.393 69 HD1 HIS 8 HD1 HIS 8 -4.352 -6.492 3.418 70 HD2 HIS 8 HD2 HIS 8 -3.927 -8.376 -0.270 71 HE1 HIS 8 HE1 HIS 8 -6.389 -7.948 3.156 72 HE2 HIS 8 HE2 HIS 8 -6.058 -9.164 0.968 73 H CYS 9 HN CYS 9 0.186 -6.701 -0.547 74 HA CYS 9 HA CYS 9 -0.290 -9.408 -1.591 75 HB2 CYS 9 HB2 CYS 9 -0.801 -8.537 -3.740 76 HB3 CYS 9 HB1 CYS 9 -1.746 -7.609 -2.598 77 H GLN 10 HN GLN 10 1.956 -7.156 -0.712 78 HA GLN 10 HA GLN 10 4.200 -7.114 -0.721 79 HB2 GLN 10 HB2 GLN 10 3.893 -9.815 -2.022 80 HB3 GLN 10 HB1 GLN 10 5.448 -9.131 -1.543 81 HG2 GLN 10 HG2 GLN 10 4.650 -9.001 0.777 82 HG3 GLN 10 HG1 GLN 10 3.128 -9.734 0.279 83 HE21 GLN 10 HE21 GLN 10 6.196 -10.700 -1.071 84 HE22 GLN 10 HE22 GLN 10 6.251 -12.267 -0.314 85 H ARG 11 HN ARG 11 3.270 -5.464 -2.464 86 HA ARG 11 HA ARG 11 5.137 -5.680 -4.698 87 HB2 ARG 11 HB2 ARG 11 2.246 -4.885 -4.728 88 HB3 ARG 11 HB1 ARG 11 3.363 -4.232 -5.920 89 HG2 ARG 11 HG2 ARG 11 3.894 -6.433 -6.715 90 HG3 ARG 11 HG1 ARG 11 2.944 -7.167 -5.424 91 HD2 ARG 11 HD2 ARG 11 0.907 -6.250 -6.357 92 HD3 ARG 11 HD1 ARG 11 1.832 -5.391 -7.592 93 HE ARG 11 HE ARG 11 2.374 -7.495 -8.595 94 HH11 ARG 11 HH11 ARG 11 -0.037 -7.665 -6.058 95 HH12 ARG 11 HH12 ARG 11 -0.653 -9.200 -6.572 96 HH21 ARG 11 HH21 ARG 11 1.553 -9.510 -9.281 97 HH22 ARG 11 HH22 ARG 11 0.261 -10.266 -8.387 98 H GLN 12 HN GLN 12 6.228 -3.762 -5.215 99 HA GLN 12 HA GLN 12 6.448 -2.088 -2.860 100 HB2 GLN 12 HB2 GLN 12 8.207 -2.018 -5.300 101 HB3 GLN 12 HB1 GLN 12 8.597 -1.530 -3.660 102 HG2 GLN 12 HG2 GLN 12 8.340 -3.923 -2.975 103 HG3 GLN 12 HG1 GLN 12 8.195 -4.323 -4.683 104 HE21 GLN 12 HE21 GLN 12 10.166 -5.180 -2.761 105 HE22 GLN 12 HE22 GLN 12 11.712 -4.686 -3.398 106 H PHE 13 HN PHE 13 6.060 0.021 -2.715 107 HA PHE 13 HA PHE 13 5.471 1.535 -5.174 108 HB2 PHE 13 HB2 PHE 13 4.084 1.629 -2.493 109 HB3 PHE 13 HB1 PHE 13 3.972 2.957 -3.658 110 HD1 PHE 13 HD2 PHE 13 3.051 -0.505 -2.942 111 HD2 PHE 13 HD1 PHE 13 2.726 2.711 -5.709 112 HE1 PHE 13 HE2 PHE 13 1.210 -1.677 -4.080 113 HE2 PHE 13 HE1 PHE 13 0.881 1.552 -6.846 114 HZ PHE 13 HZ PHE 13 0.164 -0.652 -6.092 115 H ALA 14 HN ALA 14 5.650 3.986 -4.695 116 HA ALA 14 HA ALA 14 8.398 4.317 -3.762 117 HB1 ALA 14 HB1 ALA 14 8.390 6.374 -5.008 118 HB2 ALA 14 HB2 ALA 14 6.648 6.256 -5.258 119 HB3 ALA 14 HB3 ALA 14 7.732 5.084 -6.018 120 H ASP 15 HN ASP 15 5.165 5.488 -3.068 121 HA ASP 15 HA ASP 15 6.271 7.293 -1.006 122 HB2 ASP 15 HB2 ASP 15 4.644 8.027 -3.056 123 HB3 ASP 15 HB1 ASP 15 3.468 7.562 -1.861 124 HA PRO 16 HA PRO 16 3.868 4.992 2.032 125 HB2 PRO 16 HB2 PRO 16 3.740 7.501 3.554 126 HB3 PRO 16 HB1 PRO 16 4.565 5.995 3.970 127 HG2 PRO 16 HG2 PRO 16 5.922 8.232 3.318 128 HG3 PRO 16 HG1 PRO 16 6.519 6.615 2.895 129 HD2 PRO 16 HD2 PRO 16 5.046 8.598 1.191 130 HD3 PRO 16 HD1 PRO 16 6.473 7.631 0.774 131 H GLY 17 HN GLY 17 3.148 8.078 0.664 132 HA2 GLY 17 HA2 GLY 17 0.432 8.387 1.239 133 HA3 GLY 17 HA1 GLY 17 1.269 8.974 -0.204 134 H ALA 18 HN ALA 18 2.093 6.548 -1.275 135 HA ALA 18 HA ALA 18 -0.356 5.832 -2.574 136 HB1 ALA 18 HB1 ALA 18 0.994 4.451 -4.016 137 HB2 ALA 18 HB2 ALA 18 2.396 4.693 -2.977 138 HB3 ALA 18 HB3 ALA 18 1.708 6.056 -3.862 139 H LEU 19 HN LEU 19 1.586 4.449 -0.013 140 HA LEU 19 HA LEU 19 0.589 1.816 -0.369 141 HB2 LEU 19 HB2 LEU 19 2.137 3.229 1.736 142 HB3 LEU 19 HB1 LEU 19 1.250 1.790 2.219 143 HG LEU 19 HG LEU 19 3.507 2.007 0.241 144 HD11 LEU 19 HD11 LEU 19 3.062 0.397 2.747 145 HD12 LEU 19 HD12 LEU 19 4.128 1.792 2.569 146 HD13 LEU 19 HD13 LEU 19 4.482 0.294 1.704 147 HD21 LEU 19 HD21 LEU 19 3.150 -0.412 -0.175 148 HD22 LEU 19 HD22 LEU 19 1.863 0.602 -0.816 149 HD23 LEU 19 HD23 LEU 19 1.612 -0.297 0.679 150 H GLN 20 HN GLN 20 -0.333 4.659 1.474 151 HA GLN 20 HA GLN 20 -2.344 3.196 2.785 152 HB2 GLN 20 HB2 GLN 20 -1.899 6.161 2.672 153 HB3 GLN 20 HB1 GLN 20 -3.107 5.384 3.689 154 HG2 GLN 20 HG2 GLN 20 -1.187 4.063 4.694 155 HG3 GLN 20 HG1 GLN 20 -0.121 5.202 3.874 156 HE21 GLN 20 HE21 GLN 20 -1.911 7.466 4.253 157 HE22 GLN 20 HE22 GLN 20 -1.824 7.887 5.932 158 H ARG 21 HN ARG 21 -2.157 5.181 0.027 159 HA ARG 21 HA ARG 21 -4.918 5.262 -0.610 160 HB2 ARG 21 HB2 ARG 21 -2.470 6.051 -1.831 161 HB3 ARG 21 HB1 ARG 21 -3.313 5.024 -2.981 162 HG2 ARG 21 HG2 ARG 21 -4.459 7.472 -1.657 163 HG3 ARG 21 HG1 ARG 21 -3.835 7.386 -3.305 164 HD2 ARG 21 HD2 ARG 21 -5.553 5.862 -3.948 165 HD3 ARG 21 HD1 ARG 21 -6.089 5.676 -2.279 166 HE ARG 21 HE ARG 21 -6.213 8.375 -3.299 167 HH11 ARG 21 HH11 ARG 21 -7.904 5.338 -2.973 168 HH12 ARG 21 HH12 ARG 21 -9.485 6.059 -2.994 169 HH21 ARG 21 HH21 ARG 21 -8.270 9.345 -3.361 170 HH22 ARG 21 HH22 ARG 21 -9.699 8.352 -3.239 171 H HIS 22 HN HIS 22 -2.323 2.987 -1.059 172 HA HIS 22 HA HIS 22 -3.680 1.288 -2.912 173 HB2 HIS 22 HB2 HIS 22 -1.194 1.479 -2.602 174 HB3 HIS 22 HB1 HIS 22 -1.372 0.547 -1.132 175 HD1 HIS 22 HD1 HIS 22 -2.281 0.157 -4.820 176 HD2 HIS 22 HD2 HIS 22 -1.177 -2.056 -1.488 177 HE1 HIS 22 HE1 HIS 22 -2.109 -2.241 -5.593 178 H VAL 23 HN VAL 23 -3.020 1.110 0.566 179 HA VAL 23 HA VAL 23 -4.005 -1.497 0.753 180 HB VAL 23 HB VAL 23 -3.685 0.563 2.942 181 HG11 VAL 23 HG11 VAL 23 -4.178 -2.408 3.162 182 HG12 VAL 23 HG12 VAL 23 -5.313 -1.135 3.609 183 HG13 VAL 23 HG13 VAL 23 -3.808 -1.324 4.505 184 HG21 VAL 23 HG21 VAL 23 -1.602 -0.083 1.816 185 HG22 VAL 23 HG22 VAL 23 -1.962 -1.781 2.129 186 HG23 VAL 23 HG23 VAL 23 -1.649 -0.685 3.474 187 H ARG 24 HN ARG 24 -5.517 1.643 0.951 188 HA ARG 24 HA ARG 24 -8.063 0.653 1.792 189 HB2 ARG 24 HB2 ARG 24 -7.346 3.275 0.474 190 HB3 ARG 24 HB1 ARG 24 -8.911 2.887 1.179 191 HG2 ARG 24 HG2 ARG 24 -7.552 2.407 3.327 192 HG3 ARG 24 HG1 ARG 24 -6.296 3.362 2.541 193 HD2 ARG 24 HD2 ARG 24 -9.115 4.252 3.130 194 HD3 ARG 24 HD1 ARG 24 -7.662 4.750 3.995 195 HE ARG 24 HE ARG 24 -6.985 5.638 1.667 196 HH11 ARG 24 HH11 ARG 24 -10.230 5.575 2.952 197 HH12 ARG 24 HH12 ARG 24 -10.750 6.991 2.091 198 HH21 ARG 24 HH21 ARG 24 -7.645 7.494 0.514 199 HH22 ARG 24 HH22 ARG 24 -9.271 8.082 0.693 200 H ILE 25 HN ILE 25 -6.365 0.450 -1.103 201 HA ILE 25 HA ILE 25 -8.649 0.190 -2.822 202 HB ILE 25 HB ILE 25 -5.758 -0.615 -3.114 203 HG12 ILE 25 HG12 ILE 25 -7.426 1.447 -4.565 204 HG13 ILE 25 HG11 ILE 25 -6.304 1.775 -3.260 205 HG21 ILE 25 HG21 ILE 25 -6.278 -1.138 -5.459 206 HG22 ILE 25 HG22 ILE 25 -7.995 -0.991 -5.077 207 HG23 ILE 25 HG23 ILE 25 -7.022 -2.253 -4.310 208 HD11 ILE 25 HD11 ILE 25 -4.461 0.941 -4.639 209 HD12 ILE 25 HD12 ILE 25 -5.298 2.307 -5.384 210 HD13 ILE 25 HD13 ILE 25 -5.601 0.668 -5.959 211 H HIS 26 HN HIS 26 -6.385 -2.070 -1.243 212 HA HIS 26 HA HIS 26 -7.775 -4.434 -1.967 213 HB2 HIS 26 HB2 HIS 26 -5.865 -3.849 0.297 214 HB3 HIS 26 HB1 HIS 26 -6.570 -5.432 0.043 215 HD1 HIS 26 HD1 HIS 26 -6.103 -5.778 -3.024 216 HD2 HIS 26 HD2 HIS 26 -3.343 -4.234 -0.311 217 HE1 HIS 26 HE1 HIS 26 -3.772 -6.294 -3.966 218 H THR 27 HN THR 27 -7.735 -2.505 1.011 219 HA THR 27 HA THR 27 -10.033 -4.061 1.986 220 HB THR 27 HB THR 27 -8.165 -2.472 3.739 221 HG1 THR 27 HG1 THR 27 -7.874 -5.133 2.738 222 HG21 THR 27 HG21 THR 27 -9.891 -4.904 4.251 223 HG22 THR 27 HG22 THR 27 -10.288 -3.250 4.717 224 HG23 THR 27 HG23 THR 27 -8.905 -4.062 5.448 225 H GLY 28 HN GLY 28 -10.684 -2.085 0.277 226 HA2 GLY 28 HA2 GLY 28 -11.296 0.345 1.742 227 HA3 GLY 28 HA1 GLY 28 -11.729 -0.013 0.073 228 H GLU 29 HN GLU 29 -12.382 -1.512 3.214 229 HA GLU 29 HA GLU 29 -14.846 -2.596 2.557 230 HB2 GLU 29 HB2 GLU 29 -13.920 -1.695 5.278 231 HB3 GLU 29 HB1 GLU 29 -15.193 -2.863 4.949 232 HG2 GLU 29 HG2 GLU 29 -12.283 -3.192 4.258 233 HG3 GLU 29 HG1 GLU 29 -13.124 -3.940 5.608 234 H LYS 30 HN LYS 30 -14.116 0.446 4.198 235 HA LYS 30 HA LYS 30 -16.759 1.439 3.403 236 HB2 LYS 30 HB2 LYS 30 -15.414 1.835 6.083 237 HB3 LYS 30 HB1 LYS 30 -16.807 2.759 5.542 238 HG2 LYS 30 HG2 LYS 30 -18.109 0.685 5.388 239 HG3 LYS 30 HG1 LYS 30 -16.712 -0.220 5.977 240 HD2 LYS 30 HD2 LYS 30 -16.754 1.073 8.054 241 HD3 LYS 30 HD1 LYS 30 -18.145 1.980 7.465 242 HE2 LYS 30 HE2 LYS 30 -18.857 0.239 8.997 243 HE3 LYS 30 HE1 LYS 30 -19.448 -0.096 7.370 244 HZ1 LYS 30 HZ1 LYS 30 -17.756 -1.734 7.072 245 HZ2 LYS 30 HZ2 LYS 30 -18.526 -2.058 8.545 246 HZ3 LYS 30 HZ3 LYS 30 -17.005 -1.318 8.534 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 13.206 -2.358 3.672 2 H2 MET 1 HT2 MET 1 12.218 -2.961 4.908 3 H3 MET 1 HT3 MET 1 13.606 -2.065 5.293 4 HA MET 1 HA MET 1 11.198 -1.070 3.888 5 HB2 MET 1 HB2 MET 1 12.212 -0.666 6.696 6 HB3 MET 1 HB1 MET 1 11.055 0.423 5.951 7 HG2 MET 1 HG2 MET 1 9.552 -1.537 5.611 8 HG3 MET 1 HG1 MET 1 10.686 -2.497 6.556 9 HE1 MET 1 HE1 MET 1 10.573 -0.593 10.008 10 HE2 MET 1 HE2 MET 1 11.646 -0.235 8.655 11 HE3 MET 1 HE3 MET 1 11.320 -1.910 9.103 12 H LYS 2 HN LYS 2 12.855 -0.434 2.227 13 HA LYS 2 HA LYS 2 13.710 2.285 2.968 14 HB2 LYS 2 HB2 LYS 2 15.622 0.860 2.249 15 HB3 LYS 2 HB1 LYS 2 14.836 0.641 0.689 16 HG2 LYS 2 HG2 LYS 2 14.980 3.010 0.243 17 HG3 LYS 2 HG1 LYS 2 15.669 3.295 1.841 18 HD2 LYS 2 HD2 LYS 2 17.601 1.894 1.230 19 HD3 LYS 2 HD1 LYS 2 16.917 1.687 -0.385 20 HE2 LYS 2 HE2 LYS 2 17.015 4.110 -0.730 21 HE3 LYS 2 HE1 LYS 2 17.705 4.309 0.881 22 HZ1 LYS 2 HZ1 LYS 2 18.963 2.759 -1.318 23 HZ2 LYS 2 HZ2 LYS 2 19.631 3.075 0.210 24 HZ3 LYS 2 HZ3 LYS 2 19.381 4.346 -0.882 25 HA PRO 3 HA PRO 3 10.843 2.601 -0.826 26 HB2 PRO 3 HB2 PRO 3 9.967 0.394 -2.067 27 HB3 PRO 3 HB1 PRO 3 11.511 1.143 -2.523 28 HG2 PRO 3 HG2 PRO 3 11.002 -1.234 -0.775 29 HG3 PRO 3 HG1 PRO 3 12.217 -1.018 -2.045 30 HD2 PRO 3 HD2 PRO 3 12.745 -0.724 0.626 31 HD3 PRO 3 HD1 PRO 3 13.646 0.120 -0.650 32 H TYR 4 HN TYR 4 8.414 1.905 -1.088 33 HA TYR 4 HA TYR 4 7.560 1.012 1.575 34 HB2 TYR 4 HB2 TYR 4 6.108 2.947 -0.261 35 HB3 TYR 4 HB1 TYR 4 5.704 2.541 1.407 36 HD1 TYR 4 HD2 TYR 4 7.309 3.147 3.248 37 HD2 TYR 4 HD1 TYR 4 7.737 4.626 -0.718 38 HE1 TYR 4 HE2 TYR 4 8.835 4.889 4.071 39 HE2 TYR 4 HE1 TYR 4 9.279 6.360 0.088 40 HH TYR 4 HH TYR 4 9.884 7.508 2.076 41 H VAL 5 HN VAL 5 7.024 -1.041 1.371 42 HA VAL 5 HA VAL 5 5.804 -1.953 -1.112 43 HB VAL 5 HB VAL 5 6.405 -4.196 -0.415 44 HG11 VAL 5 HG11 VAL 5 8.692 -2.258 -0.103 45 HG12 VAL 5 HG12 VAL 5 8.049 -2.867 -1.627 46 HG13 VAL 5 HG13 VAL 5 8.836 -3.970 -0.499 47 HG21 VAL 5 HG21 VAL 5 7.483 -2.889 2.084 48 HG22 VAL 5 HG22 VAL 5 7.750 -4.570 1.621 49 HG23 VAL 5 HG23 VAL 5 6.120 -4.005 1.986 50 H CYS 6 HN CYS 6 3.999 -3.239 -1.174 51 HA CYS 6 HA CYS 6 1.975 -2.722 0.787 52 HB2 CYS 6 HB2 CYS 6 1.579 -2.975 -1.699 53 HB3 CYS 6 HB1 CYS 6 1.872 -4.693 -1.506 54 H ILE 7 HN ILE 7 1.465 -3.922 2.488 55 HA ILE 7 HA ILE 7 2.992 -6.260 3.122 56 HB ILE 7 HB ILE 7 0.742 -4.835 4.568 57 HG12 ILE 7 HG12 ILE 7 2.684 -4.279 6.159 58 HG13 ILE 7 HG11 ILE 7 3.747 -4.783 4.850 59 HG21 ILE 7 HG21 ILE 7 2.507 -7.056 5.574 60 HG22 ILE 7 HG22 ILE 7 0.795 -7.184 5.180 61 HG23 ILE 7 HG23 ILE 7 1.316 -6.165 6.522 62 HD11 ILE 7 HD11 ILE 7 3.480 -2.378 4.878 63 HD12 ILE 7 HD12 ILE 7 1.729 -2.553 4.742 64 HD13 ILE 7 HD13 ILE 7 2.772 -3.061 3.413 65 H HIS 8 HN HIS 8 0.002 -5.539 1.633 66 HA HIS 8 HA HIS 8 -1.325 -7.981 2.447 67 HB2 HIS 8 HB2 HIS 8 -2.498 -5.777 2.115 68 HB3 HIS 8 HB1 HIS 8 -2.243 -5.975 0.381 69 HD1 HIS 8 HD1 HIS 8 -4.807 -6.328 2.718 70 HD2 HIS 8 HD2 HIS 8 -3.407 -8.792 -0.329 71 HE1 HIS 8 HE1 HIS 8 -6.714 -7.871 2.155 72 HE2 HIS 8 HE2 HIS 8 -5.831 -9.396 0.350 73 H CYS 9 HN CYS 9 0.113 -6.703 -0.579 74 HA CYS 9 HA CYS 9 -0.326 -9.382 -1.695 75 HB2 CYS 9 HB2 CYS 9 -0.800 -8.411 -3.818 76 HB3 CYS 9 HB1 CYS 9 -1.794 -7.594 -2.628 77 H GLN 10 HN GLN 10 1.974 -7.215 -0.741 78 HA GLN 10 HA GLN 10 4.225 -7.231 -0.784 79 HB2 GLN 10 HB2 GLN 10 3.859 -9.833 -2.270 80 HB3 GLN 10 HB1 GLN 10 5.415 -9.217 -1.706 81 HG2 GLN 10 HG2 GLN 10 4.508 -9.252 0.612 82 HG3 GLN 10 HG1 GLN 10 3.055 -10.025 -0.023 83 HE21 GLN 10 HE21 GLN 10 6.250 -10.644 -1.282 84 HE22 GLN 10 HE22 GLN 10 6.379 -12.275 -0.695 85 H ARG 11 HN ARG 11 3.353 -5.451 -2.431 86 HA ARG 11 HA ARG 11 5.052 -5.712 -4.810 87 HB2 ARG 11 HB2 ARG 11 2.487 -4.168 -4.417 88 HB3 ARG 11 HB1 ARG 11 3.583 -3.872 -5.760 89 HG2 ARG 11 HG2 ARG 11 2.167 -6.470 -5.195 90 HG3 ARG 11 HG1 ARG 11 1.691 -5.279 -6.406 91 HD2 ARG 11 HD2 ARG 11 4.185 -5.630 -7.205 92 HD3 ARG 11 HD1 ARG 11 3.975 -7.183 -6.393 93 HE ARG 11 HE ARG 11 2.074 -6.282 -8.453 94 HH11 ARG 11 HH11 ARG 11 4.299 -8.688 -7.218 95 HH12 ARG 11 HH12 ARG 11 3.951 -9.832 -8.481 96 HH21 ARG 11 HH21 ARG 11 1.649 -7.772 -10.138 97 HH22 ARG 11 HH22 ARG 11 2.471 -9.304 -10.146 98 H GLN 12 HN GLN 12 6.046 -3.579 -5.455 99 HA GLN 12 HA GLN 12 6.808 -2.162 -2.998 100 HB2 GLN 12 HB2 GLN 12 8.325 -2.400 -5.605 101 HB3 GLN 12 HB1 GLN 12 8.900 -1.658 -4.127 102 HG2 GLN 12 HG2 GLN 12 8.704 -3.872 -3.009 103 HG3 GLN 12 HG1 GLN 12 8.310 -4.565 -4.579 104 HE21 GLN 12 HE21 GLN 12 9.902 -4.629 -6.189 105 HE22 GLN 12 HE22 GLN 12 11.593 -4.528 -5.786 106 H PHE 13 HN PHE 13 6.418 -0.011 -2.823 107 HA PHE 13 HA PHE 13 5.568 1.422 -5.250 108 HB2 PHE 13 HB2 PHE 13 4.281 1.561 -2.512 109 HB3 PHE 13 HB1 PHE 13 3.863 2.595 -3.885 110 HD1 PHE 13 HD1 PHE 13 2.869 1.572 -5.930 111 HD2 PHE 13 HD2 PHE 13 3.431 -0.628 -2.331 112 HE1 PHE 13 HE1 PHE 13 1.234 -0.092 -6.701 113 HE2 PHE 13 HE2 PHE 13 1.801 -2.303 -3.103 114 HZ PHE 13 HZ PHE 13 0.819 -2.110 -5.363 115 H ALA 14 HN ALA 14 5.453 3.844 -4.818 116 HA ALA 14 HA ALA 14 8.216 4.465 -4.195 117 HB1 ALA 14 HB1 ALA 14 6.115 6.152 -5.534 118 HB2 ALA 14 HB2 ALA 14 7.254 5.085 -6.356 119 HB3 ALA 14 HB3 ALA 14 7.844 6.489 -5.468 120 H ASP 15 HN ASP 15 5.062 5.209 -2.885 121 HA ASP 15 HA ASP 15 6.358 6.946 -0.891 122 HB2 ASP 15 HB2 ASP 15 4.952 8.148 -2.828 123 HB3 ASP 15 HB1 ASP 15 3.620 7.662 -1.811 124 HA PRO 16 HA PRO 16 3.687 4.723 1.997 125 HB2 PRO 16 HB2 PRO 16 3.706 7.216 3.573 126 HB3 PRO 16 HB1 PRO 16 4.281 5.608 4.022 127 HG2 PRO 16 HG2 PRO 16 5.975 7.646 3.536 128 HG3 PRO 16 HG1 PRO 16 6.381 5.965 3.140 129 HD2 PRO 16 HD2 PRO 16 5.462 8.172 1.342 130 HD3 PRO 16 HD1 PRO 16 6.676 6.911 1.043 131 H GLY 17 HN GLY 17 3.238 7.927 0.749 132 HA2 GLY 17 HA2 GLY 17 0.529 8.371 1.236 133 HA3 GLY 17 HA1 GLY 17 1.442 8.959 -0.157 134 H ALA 18 HN ALA 18 2.139 6.447 -1.227 135 HA ALA 18 HA ALA 18 -0.339 5.855 -2.558 136 HB1 ALA 18 HB1 ALA 18 0.989 4.280 -3.894 137 HB2 ALA 18 HB2 ALA 18 2.401 4.668 -2.908 138 HB3 ALA 18 HB3 ALA 18 1.650 5.918 -3.903 139 H LEU 19 HN LEU 19 1.605 4.409 -0.028 140 HA LEU 19 HA LEU 19 0.412 1.843 -0.263 141 HB2 LEU 19 HB2 LEU 19 2.031 3.191 1.870 142 HB3 LEU 19 HB1 LEU 19 1.223 1.662 2.196 143 HG LEU 19 HG LEU 19 3.415 2.193 0.201 144 HD11 LEU 19 HD11 LEU 19 3.166 0.436 2.634 145 HD12 LEU 19 HD12 LEU 19 4.191 1.860 2.449 146 HD13 LEU 19 HD13 LEU 19 4.524 0.403 1.511 147 HD21 LEU 19 HD21 LEU 19 3.206 -0.159 -0.442 148 HD22 LEU 19 HD22 LEU 19 1.744 0.744 -0.836 149 HD23 LEU 19 HD23 LEU 19 1.774 -0.313 0.577 150 H GLN 20 HN GLN 20 -0.367 4.832 1.341 151 HA GLN 20 HA GLN 20 -2.307 3.592 2.944 152 HB2 GLN 20 HB2 GLN 20 -2.933 5.740 3.752 153 HB3 GLN 20 HB1 GLN 20 -1.194 5.752 3.532 154 HG2 GLN 20 HG2 GLN 20 -1.446 6.936 1.430 155 HG3 GLN 20 HG1 GLN 20 -3.197 6.928 1.632 156 HE21 GLN 20 HE21 GLN 20 -1.369 9.189 1.400 157 HE22 GLN 20 HE22 GLN 20 -1.596 10.133 2.829 158 H ARG 21 HN ARG 21 -2.308 5.291 -0.019 159 HA ARG 21 HA ARG 21 -5.128 5.153 -0.444 160 HB2 ARG 21 HB2 ARG 21 -2.963 6.349 -1.738 161 HB3 ARG 21 HB1 ARG 21 -3.630 5.209 -2.904 162 HG2 ARG 21 HG2 ARG 21 -5.806 6.197 -2.719 163 HG3 ARG 21 HG1 ARG 21 -5.258 7.253 -1.416 164 HD2 ARG 21 HD2 ARG 21 -3.583 8.165 -3.062 165 HD3 ARG 21 HD1 ARG 21 -4.488 7.322 -4.319 166 HE ARG 21 HE ARG 21 -5.845 9.238 -2.548 167 HH11 ARG 21 HH11 ARG 21 -4.882 8.231 -5.772 168 HH12 ARG 21 HH12 ARG 21 -5.801 9.478 -6.555 169 HH21 ARG 21 HH21 ARG 21 -7.033 10.877 -3.587 170 HH22 ARG 21 HH22 ARG 21 -7.001 10.992 -5.329 171 H HIS 22 HN HIS 22 -2.437 3.064 -0.881 172 HA HIS 22 HA HIS 22 -3.605 1.280 -2.782 173 HB2 HIS 22 HB2 HIS 22 -1.142 1.552 -2.247 174 HB3 HIS 22 HB1 HIS 22 -1.441 0.593 -0.810 175 HD1 HIS 22 HD1 HIS 22 -2.054 0.217 -4.577 176 HD2 HIS 22 HD2 HIS 22 -1.069 -1.974 -1.182 177 HE1 HIS 22 HE1 HIS 22 -1.699 -2.162 -5.343 178 H VAL 23 HN VAL 23 -3.157 1.166 0.737 179 HA VAL 23 HA VAL 23 -4.176 -1.435 0.910 180 HB VAL 23 HB VAL 23 -3.946 0.648 3.094 181 HG11 VAL 23 HG11 VAL 23 -4.132 -1.215 4.674 182 HG12 VAL 23 HG12 VAL 23 -4.432 -2.323 3.336 183 HG13 VAL 23 HG13 VAL 23 -5.595 -1.050 3.704 184 HG21 VAL 23 HG21 VAL 23 -1.935 -0.600 3.741 185 HG22 VAL 23 HG22 VAL 23 -1.807 0.030 2.097 186 HG23 VAL 23 HG23 VAL 23 -2.163 -1.677 2.362 187 H ARG 24 HN ARG 24 -5.639 1.743 0.992 188 HA ARG 24 HA ARG 24 -8.260 1.024 1.678 189 HB2 ARG 24 HB2 ARG 24 -7.236 3.176 -0.169 190 HB3 ARG 24 HB1 ARG 24 -8.921 3.024 0.307 191 HG2 ARG 24 HG2 ARG 24 -8.053 3.169 2.711 192 HG3 ARG 24 HG1 ARG 24 -6.552 3.750 1.986 193 HD2 ARG 24 HD2 ARG 24 -7.687 5.580 0.937 194 HD3 ARG 24 HD1 ARG 24 -9.256 4.957 1.439 195 HE ARG 24 HE ARG 24 -7.225 5.998 3.324 196 HH11 ARG 24 HH11 ARG 24 -10.538 5.536 2.297 197 HH12 ARG 24 HH12 ARG 24 -11.221 6.487 3.578 198 HH21 ARG 24 HH21 ARG 24 -8.105 7.297 5.001 199 HH22 ARG 24 HH22 ARG 24 -9.827 7.508 5.115 200 H ILE 25 HN ILE 25 -6.513 0.807 -1.375 201 HA ILE 25 HA ILE 25 -8.657 0.158 -3.058 202 HB ILE 25 HB ILE 25 -5.730 -0.551 -3.198 203 HG12 ILE 25 HG12 ILE 25 -6.191 1.800 -3.454 204 HG13 ILE 25 HG11 ILE 25 -5.710 1.136 -5.004 205 HG21 ILE 25 HG21 ILE 25 -6.900 -2.246 -4.421 206 HG22 ILE 25 HG22 ILE 25 -6.115 -1.136 -5.546 207 HG23 ILE 25 HG23 ILE 25 -7.849 -1.022 -5.263 208 HD11 ILE 25 HD11 ILE 25 -8.059 1.076 -5.692 209 HD12 ILE 25 HD12 ILE 25 -7.540 2.704 -5.259 210 HD13 ILE 25 HD13 ILE 25 -8.525 1.765 -4.137 211 H HIS 26 HN HIS 26 -6.458 -1.907 -1.174 212 HA HIS 26 HA HIS 26 -7.680 -4.356 -1.892 213 HB2 HIS 26 HB2 HIS 26 -5.945 -3.540 0.424 214 HB3 HIS 26 HB1 HIS 26 -6.632 -5.154 0.324 215 HD1 HIS 26 HD1 HIS 26 -6.121 -5.681 -2.744 216 HD2 HIS 26 HD2 HIS 26 -3.372 -4.091 -0.048 217 HE1 HIS 26 HE1 HIS 26 -3.798 -6.290 -3.619 218 H THR 27 HN THR 27 -8.110 -2.177 0.864 219 HA THR 27 HA THR 27 -10.278 -3.780 1.914 220 HB THR 27 HB THR 27 -9.504 -1.024 2.867 221 HG1 THR 27 HG1 THR 27 -7.572 -2.134 2.884 222 HG21 THR 27 HG21 THR 27 -10.252 -1.895 5.033 223 HG22 THR 27 HG22 THR 27 -10.592 -3.459 4.291 224 HG23 THR 27 HG23 THR 27 -11.528 -2.038 3.824 225 H GLY 28 HN GLY 28 -10.865 -3.090 -0.629 226 HA2 GLY 28 HA2 GLY 28 -12.314 -0.605 -0.790 227 HA3 GLY 28 HA1 GLY 28 -12.205 -1.838 -2.036 228 H GLU 29 HN GLU 29 -13.109 -3.056 0.987 229 HA GLU 29 HA GLU 29 -15.683 -3.839 0.209 230 HB2 GLU 29 HB2 GLU 29 -14.478 -3.558 2.959 231 HB3 GLU 29 HB1 GLU 29 -15.995 -4.377 2.614 232 HG2 GLU 29 HG2 GLU 29 -13.306 -5.165 1.519 233 HG3 GLU 29 HG1 GLU 29 -14.131 -5.930 2.870 234 H LYS 30 HN LYS 30 -14.533 -1.203 2.239 235 HA LYS 30 HA LYS 30 -16.662 0.506 1.398 236 HB2 LYS 30 HB2 LYS 30 -17.807 -0.764 3.181 237 HB3 LYS 30 HB1 LYS 30 -16.543 -0.304 4.314 238 HG2 LYS 30 HG2 LYS 30 -17.176 2.020 4.126 239 HG3 LYS 30 HG1 LYS 30 -18.389 1.616 2.908 240 HD2 LYS 30 HD2 LYS 30 -19.620 0.304 4.523 241 HD3 LYS 30 HD1 LYS 30 -18.371 0.580 5.739 242 HE2 LYS 30 HE2 LYS 30 -18.844 2.970 5.695 243 HE3 LYS 30 HE1 LYS 30 -20.073 2.712 4.456 244 HZ1 LYS 30 HZ1 LYS 30 -20.157 1.489 7.157 245 HZ2 LYS 30 HZ2 LYS 30 -21.386 1.467 5.983 246 HZ3 LYS 30 HZ3 LYS 30 -20.958 2.926 6.742
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