NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
4698 | 1fjp | 4907 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 25.114 2.095 2.323 2 2H MET 1 2HT MET 1 25.417 2.659 0.750 3 H MET 1 H MET 1 25.577 2.395 1.878 4 3H MET 1 3HT MET 1 24.155 1.557 1.030 5 HA MET 1 HA MET 1 23.511 3.979 0.702 6 1HB MET 1 2HB MET 1 21.783 3.666 2.484 7 2HB MET 1 1HB MET 1 22.038 2.228 1.515 8 1HG MET 1 2HG MET 1 23.540 1.314 3.239 9 2HG MET 1 1HG MET 1 23.263 2.755 4.205 10 1HE MET 1 1HE MET 1 21.356 0.317 6.332 11 2HE MET 1 2HE MET 1 22.871 1.151 5.993 12 3HE MET 1 3HE MET 1 22.548 -0.412 5.247 13 H ASP 2 H ASP 2 23.692 5.990 1.498 14 HA ASP 2 HA ASP 2 24.564 6.586 4.228 15 1HB ASP 2 2HB ASP 2 26.701 7.621 3.501 16 2HB ASP 2 1HB ASP 2 26.664 5.896 3.131 17 H LYS 3 H LYS 3 24.151 7.777 0.899 18 HA LYS 3 HA LYS 3 23.210 10.392 2.008 19 1HB LYS 3 2HB LYS 3 23.809 11.263 -0.217 20 2HB LYS 3 1HB LYS 3 25.176 10.389 0.476 21 1HG LYS 3 2HG LYS 3 24.569 8.388 -0.833 22 2HG LYS 3 1HG LYS 3 23.198 9.255 -1.524 23 1HD LYS 3 2HD LYS 3 24.727 10.899 -2.526 24 2HD LYS 3 1HD LYS 3 26.107 10.068 -1.804 25 1HE LYS 3 2HE LYS 3 25.556 8.026 -3.095 26 2HE LYS 3 1HE LYS 3 24.188 8.875 -3.840 27 1HZ LYS 3 1HZ LYS 3 25.594 10.407 -4.864 28 2HZ LYS 3 2HZ LYS 3 26.414 8.933 -5.069 29 3HZ LYS 3 3HZ LYS 3 26.911 10.025 -3.866 30 H VAL 4 H VAL 4 22.407 7.741 -0.205 31 HA VAL 4 HA VAL 4 19.973 8.868 -1.230 32 HB VAL 4 HB VAL 4 21.185 6.950 -2.200 33 1HG1 VAL 4 1HG1 VAL 4 21.290 6.088 0.460 34 2HG1 VAL 4 2HG1 VAL 4 21.839 5.186 -0.952 35 3HG1 VAL 4 3HG1 VAL 4 20.206 4.942 -0.330 36 1HG2 VAL 4 1HG2 VAL 4 18.532 5.885 -1.239 37 2HG2 VAL 4 2HG2 VAL 4 19.285 5.700 -2.822 38 3HG2 VAL 4 3HG2 VAL 4 18.607 7.256 -2.345 39 H GLN 5 H GLN 5 20.789 7.731 1.920 40 HA GLN 5 HA GLN 5 18.179 6.754 2.669 41 1HB GLN 5 2HB GLN 5 19.168 6.726 4.920 42 2HB GLN 5 1HB GLN 5 20.306 6.074 3.745 43 1HG GLN 5 2HG GLN 5 21.415 8.307 3.630 44 2HG GLN 5 1HG GLN 5 20.314 8.889 4.872 45 1HE2 GLN 5 1HE2 GLN 5 20.886 5.684 5.711 46 2HE2 GLN 5 2HE2 GLN 5 22.204 5.925 6.747 47 H TYR 6 H TYR 6 19.873 9.883 3.261 48 HA TYR 6 HA TYR 6 17.420 10.913 4.489 49 1HB TYR 6 2HB TYR 6 18.731 12.770 5.154 50 2HB TYR 6 1HB TYR 6 19.831 11.405 5.247 51 HD1 TYR 6 1HD TYR 6 21.373 10.987 3.136 52 HD2 TYR 6 2HD TYR 6 19.267 14.650 3.922 53 HE1 TYR 6 1HE TYR 6 22.904 12.208 1.611 54 HE2 TYR 6 2HE TYR 6 20.802 15.860 2.401 55 HH TYR 6 HH TYR 6 23.371 15.349 1.599 56 H LEU 7 H LEU 7 19.217 11.218 1.457 57 HA LEU 7 HA LEU 7 17.817 13.418 0.322 58 1HB LEU 7 2HB LEU 7 18.970 10.885 -0.885 59 2HB LEU 7 1HB LEU 7 18.465 12.281 -1.837 60 HG LEU 7 HG LEU 7 20.564 12.312 0.342 61 1HD1 LEU 7 1HD1 LEU 7 21.986 11.648 -1.273 62 2HD1 LEU 7 2HD1 LEU 7 21.587 13.110 -2.174 63 3HD1 LEU 7 3HD1 LEU 7 20.677 11.625 -2.453 64 1HD2 LEU 7 1HD2 LEU 7 20.961 14.617 -0.846 65 2HD2 LEU 7 2HD2 LEU 7 19.669 14.472 0.346 66 3HD2 LEU 7 3HD2 LEU 7 19.290 14.420 -1.376 67 H THR 8 H THR 8 17.003 9.942 0.424 68 HA THR 8 HA THR 8 14.627 10.158 -1.195 69 HB THR 8 HB THR 8 15.478 8.144 0.903 70 HG1 THR 8 1HG THR 8 16.299 7.052 -0.936 71 1HG2 THR 8 1HG2 THR 8 13.024 8.299 -0.196 72 2HG2 THR 8 2HG2 THR 8 13.801 6.761 0.176 73 3HG2 THR 8 3HG2 THR 8 13.849 7.396 -1.467 74 H ARG 9 H ARG 9 15.210 10.157 2.320 75 HA ARG 9 HA ARG 9 12.579 10.122 3.289 76 1HB ARG 9 2HB ARG 9 14.606 10.013 4.648 77 2HB ARG 9 1HB ARG 9 14.991 11.669 4.206 78 1HG ARG 9 2HG ARG 9 12.938 12.465 5.302 79 2HG ARG 9 1HG ARG 9 12.527 10.805 5.735 80 1HD ARG 9 2HD ARG 9 14.588 10.631 7.088 81 2HD ARG 9 1HD ARG 9 15.018 12.295 6.646 82 HE ARG 9 HE ARG 9 13.113 11.589 8.668 83 1HH1 ARG 9 1HH2 ARG 9 14.308 14.286 8.537 84 2HH1 ARG 9 2HH2 ARG 9 12.977 15.276 8.039 85 1HH2 ARG 9 1HH1 ARG 9 11.066 12.606 6.923 86 2HH2 ARG 9 2HH1 ARG 9 11.142 14.325 7.126 87 H SER 10 H SER 10 14.482 12.893 2.138 88 HA SER 10 HA SER 10 12.260 14.752 2.557 89 1HB SER 10 2HB SER 10 13.924 16.361 1.657 90 2HB SER 10 1HB SER 10 14.607 15.373 2.945 91 HG SER 10 HG SER 10 16.056 15.302 1.293 92 H ALA 11 H ALA 11 13.153 12.557 0.107 93 HA ALA 11 HA ALA 11 12.340 14.136 -2.189 94 1HB ALA 11 1HB ALA 11 12.489 11.831 -3.260 95 2HB ALA 11 2HB ALA 11 12.881 11.208 -1.658 96 3HB ALA 11 3HB ALA 11 13.951 12.373 -2.437 97 H ILE 12 H ILE 12 10.737 11.867 0.005 98 HA ILE 12 HA ILE 12 8.255 12.147 -1.594 99 HB ILE 12 HB ILE 12 9.202 10.040 0.327 100 1HG1 ILE 12 2HG1 ILE 12 8.959 8.576 -1.723 101 2HG1 ILE 12 1HG1 ILE 12 8.699 10.046 -2.659 102 1HG2 ILE 12 1HG2 ILE 12 6.533 10.468 -0.997 103 2HG2 ILE 12 2HG2 ILE 12 6.873 10.108 0.696 104 3HG2 ILE 12 3HG2 ILE 12 7.067 8.853 -0.528 105 1HD1 ILE 12 1HD1 ILE 12 11.145 8.932 -2.274 106 2HD1 ILE 12 2HD1 ILE 12 11.093 10.051 -0.911 107 3HD1 ILE 12 3HD1 ILE 12 10.898 10.656 -2.557 108 H ARG 13 H ARG 13 9.531 12.233 1.728 109 HA ARG 13 HA ARG 13 7.038 12.803 3.014 110 1HB ARG 13 2HB ARG 13 9.886 13.544 3.761 111 2HB ARG 13 1HB ARG 13 8.518 13.492 4.872 112 1HG ARG 13 2HG ARG 13 9.600 11.129 3.307 113 2HG ARG 13 1HG ARG 13 9.836 11.420 5.021 114 1HD ARG 13 2HD ARG 13 7.390 11.320 5.386 115 2HD ARG 13 1HD ARG 13 7.183 10.974 3.665 116 HE ARG 13 HE ARG 13 7.795 8.758 4.159 117 1HH1 ARG 13 1HH1 ARG 13 7.712 9.718 7.156 118 2HH1 ARG 13 2HH1 ARG 13 9.215 9.056 7.707 119 1HH2 ARG 13 1HH2 ARG 13 10.418 8.435 4.515 120 2HH2 ARG 13 2HH2 ARG 13 10.743 8.324 6.213 121 H ARG 14 H ARG 14 9.617 14.988 1.833 122 HA ARG 14 HA ARG 14 7.932 17.317 2.458 123 1HB ARG 14 2HB ARG 14 10.694 17.035 1.230 124 2HB ARG 14 1HB ARG 14 9.962 18.540 1.780 125 1HG ARG 14 2HG ARG 14 9.862 17.714 4.071 126 2HG ARG 14 1HG ARG 14 10.431 16.129 3.557 127 1HD ARG 14 2HD ARG 14 12.365 17.192 4.454 128 2HD ARG 14 1HD ARG 14 12.543 17.390 2.704 129 HE ARG 14 HE ARG 14 12.149 19.539 4.590 130 1HH1 ARG 14 1HH1 ARG 14 13.173 19.441 1.622 131 2HH1 ARG 14 2HH1 ARG 14 12.066 20.568 0.909 132 1HH2 ARG 14 1HH2 ARG 14 9.892 20.546 3.611 133 2HH2 ARG 14 2HH2 ARG 14 10.211 21.198 2.038 134 H ALA 15 H ALA 15 7.229 15.341 0.280 135 HA ALA 15 HA ALA 15 6.819 17.326 -1.864 136 1HB ALA 15 1HB ALA 15 8.778 15.291 -1.894 137 2HB ALA 15 2HB ALA 15 8.275 16.295 -3.255 138 3HB ALA 15 3HB ALA 15 7.493 14.740 -2.969 139 H SER 16 H SER 16 6.129 14.072 -0.606 140 HA SER 16 HA SER 16 3.584 13.994 -2.077 141 1HB SER 16 2HB SER 16 5.131 12.036 -0.425 142 2HB SER 16 1HB SER 16 3.594 11.662 -1.173 143 HG SER 16 HG SER 16 5.387 11.062 -2.484 144 H THR 17 H THR 17 4.552 15.211 0.830 145 HA THR 17 HA THR 17 1.938 14.575 2.107 146 HB THR 17 HB THR 17 4.653 15.080 3.360 147 HG1 THR 17 1HG THR 17 4.493 13.057 2.361 148 1HG2 THR 17 1HG2 THR 17 3.141 13.951 5.301 149 2HG2 THR 17 2HG2 THR 17 1.897 14.852 4.435 150 3HG2 THR 17 3HG2 THR 17 3.299 15.696 5.094 151 H ILE 18 H ILE 18 4.006 17.044 0.937 152 HA ILE 18 HA ILE 18 2.574 19.101 2.524 153 HB ILE 18 HB ILE 18 5.041 19.019 2.694 154 1HG1 ILE 18 2HG1 ILE 18 5.474 21.377 2.090 155 2HG1 ILE 18 1HG1 ILE 18 4.017 21.389 1.095 156 1HG2 ILE 18 1HG2 ILE 18 5.659 20.025 0.061 157 2HG2 ILE 18 2HG2 ILE 18 4.838 18.470 -0.074 158 3HG2 ILE 18 3HG2 ILE 18 6.311 18.609 0.883 159 1HD1 ILE 18 1HD1 ILE 18 2.592 21.234 2.955 160 2HD1 ILE 18 2HD1 ILE 18 3.865 22.311 3.529 161 3HD1 ILE 18 3HD1 ILE 18 3.870 20.611 4.000 162 H GLU 19 H GLU 19 3.028 17.784 -0.661 163 HA GLU 19 HA GLU 19 1.787 20.159 -1.918 164 1HB GLU 19 2HB GLU 19 3.137 17.712 -3.017 165 2HB GLU 19 1HB GLU 19 2.539 19.039 -4.004 166 1HG GLU 19 2HG GLU 19 4.655 19.251 -1.840 167 2HG GLU 19 1HG GLU 19 4.952 19.298 -3.578 168 H MET 20 H MET 20 1.113 16.901 -0.958 169 HA MET 20 HA MET 20 -1.625 17.157 -2.107 170 1HB MET 20 2HB MET 20 -1.396 14.836 -2.996 171 2HB MET 20 1HB MET 20 -0.252 15.952 -3.742 172 1HG MET 20 2HG MET 20 1.508 15.199 -2.190 173 2HG MET 20 1HG MET 20 0.369 14.085 -1.432 174 1HE MET 20 1HE MET 20 -1.202 12.913 -2.803 175 2HE MET 20 2HE MET 20 -0.461 11.454 -3.456 176 3HE MET 20 3HE MET 20 -1.095 12.680 -4.553 177 HA PRO 21 HA PRO 21 -1.198 15.238 2.191 178 1HB PRO 21 2HB PRO 21 -2.355 17.267 3.624 179 2HB PRO 21 1HB PRO 21 -0.615 17.175 3.319 180 1HG PRO 21 2HG PRO 21 -2.672 18.811 1.969 181 2HG PRO 21 1HG PRO 21 -1.016 19.234 2.411 182 1HD PRO 21 2HD PRO 21 -1.763 18.568 -0.124 183 2HD PRO 21 1HD PRO 21 -0.130 18.285 0.522 184 H GLN 22 H GLN 22 -3.700 17.058 0.503 185 HA GLN 22 HA GLN 22 -5.898 15.725 1.929 186 1HB GLN 22 2HB GLN 22 -5.778 17.546 -0.464 187 2HB GLN 22 1HB GLN 22 -7.253 17.100 0.382 188 1HG GLN 22 2HG GLN 22 -6.366 18.107 2.454 189 2HG GLN 22 1HG GLN 22 -4.891 18.558 1.603 190 1HE2 GLN 22 1HE2 GLN 22 -7.346 18.954 -0.672 191 2HE2 GLN 22 2HE2 GLN 22 -7.692 20.587 -0.391 192 H GLN 23 H GLN 23 -4.214 15.477 -1.162 193 HA GLN 23 HA GLN 23 -6.089 13.542 -2.266 194 1HB GLN 23 2HB GLN 23 -4.881 15.164 -3.645 195 2HB GLN 23 1HB GLN 23 -3.357 14.491 -3.088 196 1HG GLN 23 2HG GLN 23 -3.875 13.588 -5.296 197 2HG GLN 23 1HG GLN 23 -3.977 12.301 -4.095 198 1HE2 GLN 23 1HE2 GLN 23 -5.621 13.596 -6.707 199 2HE2 GLN 23 2HE2 GLN 23 -7.187 13.060 -6.335 200 H ALA 24 H ALA 24 -2.725 13.462 -1.083 201 HA ALA 24 HA ALA 24 -2.169 10.724 -1.415 202 1HB ALA 24 1HB ALA 24 -0.646 11.152 0.585 203 2HB ALA 24 2HB ALA 24 -1.404 12.739 0.719 204 3HB ALA 24 3HB ALA 24 -0.491 12.317 -0.732 205 H ARG 25 H ARG 25 -3.788 12.356 1.328 206 HA ARG 25 HA ARG 25 -4.134 10.100 3.004 207 1HB ARG 25 2HB ARG 25 -4.518 12.435 3.643 208 2HB ARG 25 1HB ARG 25 -5.884 12.503 2.540 209 1HG ARG 25 2HG ARG 25 -7.048 10.766 3.816 210 2HG ARG 25 1HG ARG 25 -5.668 10.628 4.905 211 1HD ARG 25 2HD ARG 25 -7.307 13.159 4.506 212 2HD ARG 25 1HD ARG 25 -7.443 12.062 5.894 213 HE ARG 25 HE ARG 25 -4.695 12.729 5.555 214 1HH1 ARG 25 1HH2 ARG 25 -5.651 15.463 5.119 215 2HH1 ARG 25 2HH2 ARG 25 -5.859 16.076 6.723 216 1HH2 ARG 25 1HH1 ARG 25 -5.852 12.941 8.207 217 2HH2 ARG 25 2HH1 ARG 25 -5.972 14.649 8.473 218 H GLN 26 H GLN 26 -6.255 11.391 0.447 219 HA GLN 26 HA GLN 26 -8.296 9.392 0.722 220 1HB GLN 26 2HB GLN 26 -7.476 11.156 -1.573 221 2HB GLN 26 1HB GLN 26 -9.030 10.341 -1.435 222 1HG GLN 26 2HG GLN 26 -7.935 12.372 0.525 223 2HG GLN 26 1HG GLN 26 -9.176 12.697 -0.686 224 1HE2 GLN 26 1HE2 GLN 26 -8.820 11.957 2.549 225 2HE2 GLN 26 2HE2 GLN 26 -10.321 11.213 2.827 226 H ASN 27 H ASN 27 -5.550 9.769 -1.507 227 HA ASN 27 HA ASN 27 -5.978 7.476 -3.108 228 1HB ASN 27 2HB ASN 27 -4.402 9.299 -3.577 229 2HB ASN 27 1HB ASN 27 -3.425 8.785 -2.208 230 1HD2 ASN 27 1HD2 ASN 27 -1.661 7.553 -2.862 231 2HD2 ASN 27 2HD2 ASN 27 -1.653 6.485 -4.181 232 H LEU 28 H LEU 28 -4.180 7.816 -0.046 233 HA LEU 28 HA LEU 28 -3.029 5.273 0.172 234 1HB LEU 28 2HB LEU 28 -2.713 7.153 1.717 235 2HB LEU 28 1HB LEU 28 -4.366 6.954 2.279 236 HG LEU 28 HG LEU 28 -3.840 4.671 3.053 237 1HD1 LEU 28 1HD1 LEU 28 -1.527 5.107 1.402 238 2HD1 LEU 28 2HD1 LEU 28 -2.048 3.619 2.192 239 3HD1 LEU 28 3HD1 LEU 28 -1.000 4.752 3.047 240 1HD2 LEU 28 1HD2 LEU 28 -3.184 7.019 4.279 241 2HD2 LEU 28 2HD2 LEU 28 -1.623 6.197 4.281 242 3HD2 LEU 28 3HD2 LEU 28 -3.020 5.436 5.039 243 H GLN 29 H GLN 29 -6.389 6.177 0.413 244 HA GLN 29 HA GLN 29 -7.493 4.041 1.870 245 1HB GLN 29 2HB GLN 29 -8.490 5.515 -0.554 246 2HB GLN 29 1HB GLN 29 -9.512 4.545 0.496 247 1HG GLN 29 2HG GLN 29 -8.923 5.981 2.406 248 2HG GLN 29 1HG GLN 29 -7.878 6.947 1.370 249 1HE2 GLN 29 1HE2 GLN 29 -10.491 6.131 -0.591 250 2HE2 GLN 29 2HE2 GLN 29 -11.467 7.483 -0.293 251 H ASN 30 H ASN 30 -6.253 4.092 -1.427 252 HA ASN 30 HA ASN 30 -7.441 1.728 -2.439 253 1HB ASN 30 2HB ASN 30 -4.743 2.968 -2.902 254 2HB ASN 30 1HB ASN 30 -5.464 1.759 -3.950 255 1HD2 ASN 30 1HD2 ASN 30 -8.074 3.595 -2.905 256 2HD2 ASN 30 2HD2 ASN 30 -8.105 4.739 -4.152 257 H LEU 31 H LEU 31 -4.699 2.171 -0.267 258 HA LEU 31 HA LEU 31 -3.573 -0.437 -0.460 259 1HB LEU 31 2HB LEU 31 -2.495 1.517 0.558 260 2HB LEU 31 1HB LEU 31 -3.712 1.512 1.826 261 HG LEU 31 HG LEU 31 -2.987 -0.736 2.535 262 1HD1 LEU 31 1HD2 LEU 31 -0.980 -0.369 0.292 263 2HD1 LEU 31 2HD2 LEU 31 -2.205 -1.631 0.429 264 3HD1 LEU 31 3HD2 LEU 31 -0.836 -1.606 1.540 265 1HD2 LEU 31 1HD1 LEU 31 -1.895 1.415 3.389 266 2HD2 LEU 31 2HD1 LEU 31 -0.561 1.057 2.292 267 3HD2 LEU 31 3HD1 LEU 31 -0.954 -0.063 3.597 268 H PHE 32 H PHE 32 -6.343 0.806 1.299 269 HA PHE 32 HA PHE 32 -6.644 -1.427 3.089 270 1HB PHE 32 2HB PHE 32 -7.516 0.827 3.512 271 2HB PHE 32 1HB PHE 32 -8.556 0.702 2.093 272 HD1 PHE 32 1HD PHE 32 -7.736 -1.433 5.080 273 HD2 PHE 32 2HD PHE 32 -10.779 0.237 2.552 274 HE1 PHE 32 1HE PHE 32 -9.482 -2.541 6.451 275 HE2 PHE 32 2HE PHE 32 -12.525 -0.869 3.922 276 HZ PHE 32 HZ PHE 32 -11.876 -2.258 5.871 277 H ILE 33 H ILE 33 -8.467 -0.444 0.159 278 HA ILE 33 HA ILE 33 -10.114 -2.772 0.029 279 HB ILE 33 HB ILE 33 -10.439 -0.557 -1.091 280 1HG1 ILE 33 2HG1 ILE 33 -11.649 -2.611 -1.882 281 2HG1 ILE 33 1HG1 ILE 33 -11.410 -1.409 -3.144 282 1HG2 ILE 33 1HG2 ILE 33 -9.226 -0.126 -3.204 283 2HG2 ILE 33 2HG2 ILE 33 -8.242 -1.561 -2.916 284 3HG2 ILE 33 3HG2 ILE 33 -8.139 -0.185 -1.817 285 1HD1 ILE 33 1HD1 ILE 33 -10.322 -4.142 -2.917 286 2HD1 ILE 33 2HD1 ILE 33 -9.145 -2.931 -3.423 287 3HD1 ILE 33 3HD1 ILE 33 -10.623 -3.165 -4.353 288 H ASN 34 H ASN 34 -6.897 -2.090 -1.358 289 HA ASN 34 HA ASN 34 -6.711 -4.412 -3.012 290 1HB ASN 34 2HB ASN 34 -5.256 -2.394 -3.083 291 2HB ASN 34 1HB ASN 34 -4.571 -2.852 -1.528 292 1HD2 ASN 34 1HD2 ASN 34 -5.173 -5.715 -3.305 293 2HD2 ASN 34 2HD2 ASN 34 -3.620 -5.911 -3.948 294 H PHE 35 H PHE 35 -5.371 -3.846 0.268 295 HA PHE 35 HA PHE 35 -4.431 -6.490 0.705 296 1HB PHE 35 2HB PHE 35 -3.846 -4.507 2.049 297 2HB PHE 35 1HB PHE 35 -5.507 -4.405 2.634 298 HD1 PHE 35 1HD PHE 35 -2.906 -7.091 2.255 299 HD2 PHE 35 2HD PHE 35 -5.832 -5.223 4.784 300 HE1 PHE 35 1HE PHE 35 -2.366 -8.698 4.066 301 HE2 PHE 35 2HE PHE 35 -5.293 -6.828 6.597 302 HZ PHE 35 HZ PHE 35 -3.561 -8.567 6.237 303 H CYS 36 H CYS 36 -7.575 -5.005 1.569 304 HA CYS 36 HA CYS 36 -8.729 -7.266 2.843 305 1HB CYS 36 2HB CYS 36 -9.634 -4.973 2.873 306 2HB CYS 36 1HB CYS 36 -9.968 -5.071 1.146 307 HG CYS 36 HG CYS 36 -11.743 -6.944 1.663 308 H LEU 37 H LEU 37 -8.612 -6.320 -0.582 309 HA LEU 37 HA LEU 37 -10.297 -8.378 -1.621 310 1HB LEU 37 2HB LEU 37 -9.478 -6.248 -2.717 311 2HB LEU 37 1HB LEU 37 -7.896 -7.001 -2.877 312 HG LEU 37 HG LEU 37 -9.251 -7.156 -4.960 313 1HD1 LEU 37 1HD2 LEU 37 -7.624 -9.031 -3.960 314 2HD1 LEU 37 2HD2 LEU 37 -8.481 -9.254 -5.484 315 3HD1 LEU 37 3HD2 LEU 37 -9.114 -9.972 -4.003 316 1HD2 LEU 37 1HD1 LEU 37 -11.409 -7.760 -4.917 317 2HD2 LEU 37 2HD1 LEU 37 -11.312 -7.803 -3.157 318 3HD2 LEU 37 3HD1 LEU 37 -11.014 -9.268 -4.094 319 H ILE 38 H ILE 38 -6.721 -8.172 -1.504 320 HA ILE 38 HA ILE 38 -6.274 -10.892 -2.340 321 HB ILE 38 HB ILE 38 -4.663 -8.999 -2.485 322 1HG1 ILE 38 2HG1 ILE 38 -2.676 -10.258 -1.707 323 2HG1 ILE 38 1HG1 ILE 38 -3.724 -11.313 -0.759 324 1HG2 ILE 38 1HG2 ILE 38 -4.546 -9.318 0.527 325 2HG2 ILE 38 2HG2 ILE 38 -5.196 -7.929 -0.341 326 3HG2 ILE 38 3HG2 ILE 38 -3.475 -8.295 -0.432 327 1HD1 ILE 38 1HD1 ILE 38 -4.674 -11.150 -3.487 328 2HD1 ILE 38 2HD1 ILE 38 -4.188 -12.573 -2.565 329 3HD1 ILE 38 3HD1 ILE 38 -2.982 -11.646 -3.457 330 H LEU 39 H LEU 39 -6.993 -9.454 0.762 331 HA LEU 39 HA LEU 39 -5.979 -11.631 2.369 332 1HB LEU 39 2HB LEU 39 -6.039 -9.367 3.184 333 2HB LEU 39 1HB LEU 39 -7.761 -9.232 2.826 334 HG LEU 39 HG LEU 39 -8.233 -10.988 4.470 335 1HD1 LEU 39 1HD1 LEU 39 -5.339 -11.274 4.350 336 2HD1 LEU 39 2HD1 LEU 39 -6.544 -12.393 4.989 337 3HD1 LEU 39 3HD1 LEU 39 -5.906 -11.105 6.011 338 1HD2 LEU 39 1HD2 LEU 39 -8.010 -9.610 6.381 339 2HD2 LEU 39 2HD2 LEU 39 -8.003 -8.473 5.032 340 3HD2 LEU 39 3HD2 LEU 39 -6.488 -8.927 5.811 341 H ILE 40 H ILE 40 -9.140 -10.759 1.004 342 HA ILE 40 HA ILE 40 -10.440 -12.950 2.479 343 HB ILE 40 HB ILE 40 -11.473 -10.841 0.609 344 1HG1 ILE 40 2HG1 ILE 40 -11.494 -11.023 3.633 345 2HG1 ILE 40 1HG1 ILE 40 -10.494 -9.927 2.678 346 1HG2 ILE 40 1HG2 ILE 40 -12.702 -13.191 1.764 347 2HG2 ILE 40 2HG2 ILE 40 -13.386 -12.031 0.623 348 3HG2 ILE 40 3HG2 ILE 40 -13.489 -11.729 2.359 349 1HD1 ILE 40 1HD1 ILE 40 -12.555 -8.910 1.728 350 2HD1 ILE 40 2HD1 ILE 40 -12.484 -8.744 3.483 351 3HD1 ILE 40 3HD1 ILE 40 -13.526 -9.967 2.755 352 H PHE 41 H PHE 41 -9.413 -12.168 -0.786 353 HA PHE 41 HA PHE 41 -10.945 -14.339 -1.983 354 1HB PHE 41 2HB PHE 41 -8.875 -12.358 -2.928 355 2HB PHE 41 1HB PHE 41 -9.520 -13.607 -3.994 356 HD1 PHE 41 1HD PHE 41 -10.881 -11.132 -1.477 357 HD2 PHE 41 2HD PHE 41 -11.294 -12.983 -5.334 358 HE1 PHE 41 1HE PHE 41 -12.903 -9.772 -1.913 359 HE2 PHE 41 2HE PHE 41 -13.314 -11.615 -5.770 360 HZ PHE 41 HZ PHE 41 -14.119 -10.011 -4.061 361 H LEU 42 H LEU 42 -7.726 -13.943 -0.645 362 HA LEU 42 HA LEU 42 -6.415 -16.084 -1.982 363 1HB LEU 42 2HB LEU 42 -4.925 -16.029 0.023 364 2HB LEU 42 1HB LEU 42 -5.255 -14.423 -0.615 365 HG LEU 42 HG LEU 42 -7.104 -14.238 1.140 366 1HD1 LEU 42 1HD2 LEU 42 -6.103 -15.946 3.102 367 2HD1 LEU 42 2HD2 LEU 42 -6.142 -16.954 1.656 368 3HD1 LEU 42 3HD2 LEU 42 -7.615 -16.163 2.221 369 1HD2 LEU 42 1HD1 LEU 42 -5.581 -13.464 2.778 370 2HD2 LEU 42 2HD1 LEU 42 -4.666 -13.358 1.274 371 3HD2 LEU 42 3HD1 LEU 42 -4.391 -14.702 2.380 372 H LEU 43 H LEU 43 -8.915 -16.096 0.420 373 HA LEU 43 HA LEU 43 -8.426 -18.875 1.229 374 1HB LEU 43 2HB LEU 43 -9.193 -17.165 2.820 375 2HB LEU 43 1HB LEU 43 -10.624 -16.876 1.831 376 HG LEU 43 HG LEU 43 -11.336 -19.219 2.179 377 1HD1 LEU 43 1HD2 LEU 43 -9.935 -20.219 4.269 378 2HD1 LEU 43 2HD2 LEU 43 -8.650 -19.332 3.447 379 3HD1 LEU 43 3HD2 LEU 43 -9.543 -20.588 2.589 380 1HD2 LEU 43 1HD1 LEU 43 -12.002 -18.978 4.498 381 2HD2 LEU 43 2HD1 LEU 43 -12.010 -17.378 3.758 382 3HD2 LEU 43 3HD1 LEU 43 -10.677 -17.858 4.807 383 H LEU 44 H LEU 44 -10.743 -17.040 -0.743 384 HA LEU 44 HA LEU 44 -12.573 -19.174 -1.265 385 1HB LEU 44 2HB LEU 44 -11.798 -16.722 -2.876 386 2HB LEU 44 1HB LEU 44 -13.267 -17.668 -3.118 387 HG LEU 44 HG LEU 44 -12.505 -16.221 -0.563 388 1HD1 LEU 44 1HD1 LEU 44 -14.168 -15.529 -2.936 389 2HD1 LEU 44 2HD1 LEU 44 -13.254 -14.474 -1.858 390 3HD1 LEU 44 3HD1 LEU 44 -14.823 -15.101 -1.356 391 1HD2 LEU 44 1HD2 LEU 44 -13.790 -18.109 0.072 392 2HD2 LEU 44 2HD2 LEU 44 -14.827 -17.984 -1.348 393 3HD2 LEU 44 3HD2 LEU 44 -14.967 -16.803 -0.048 394 H ILE 45 H ILE 45 -9.754 -17.989 -3.134 395 HA ILE 45 HA ILE 45 -9.969 -19.672 -5.384 396 HB ILE 45 HB ILE 45 -7.527 -19.265 -5.558 397 1HG1 ILE 45 2HG1 ILE 45 -7.846 -18.181 -2.739 398 2HG1 ILE 45 1HG1 ILE 45 -6.984 -19.657 -3.174 399 1HG2 ILE 45 1HG2 ILE 45 -8.073 -17.182 -6.212 400 2HG2 ILE 45 2HG2 ILE 45 -8.176 -16.653 -4.532 401 3HG2 ILE 45 3HG2 ILE 45 -9.594 -17.335 -5.330 402 1HD1 ILE 45 1HD1 ILE 45 -5.617 -18.124 -4.767 403 2HD1 ILE 45 2HD1 ILE 45 -5.265 -18.054 -3.041 404 3HD1 ILE 45 3HD1 ILE 45 -6.252 -16.800 -3.791 405 H CYS 46 H CYS 46 -9.113 -20.502 -2.112 406 HA CYS 46 HA CYS 46 -7.741 -22.978 -2.792 407 1HB CYS 46 2HB CYS 46 -7.212 -21.626 -0.818 408 2HB CYS 46 1HB CYS 46 -8.848 -21.874 -0.228 409 HG CYS 46 HG CYS 46 -7.562 -23.752 0.922 410 H ILE 47 H ILE 47 -11.014 -22.002 -2.044 411 HA ILE 47 HA ILE 47 -12.113 -24.485 -1.225 412 HB ILE 47 HB ILE 47 -13.273 -22.142 -2.757 413 1HG1 ILE 47 2HG1 ILE 47 -12.220 -21.528 -0.612 414 2HG1 ILE 47 1HG1 ILE 47 -13.974 -21.386 -0.505 415 1HG2 ILE 47 1HG2 ILE 47 -14.570 -24.401 -1.220 416 2HG2 ILE 47 2HG2 ILE 47 -14.787 -24.005 -2.924 417 3HG2 ILE 47 3HG2 ILE 47 -15.417 -22.924 -1.682 418 1HD1 ILE 47 1HD1 ILE 47 -13.986 -23.752 0.434 419 2HD1 ILE 47 2HD1 ILE 47 -13.277 -22.525 1.483 420 3HD1 ILE 47 3HD1 ILE 47 -12.234 -23.614 0.570 421 H ILE 48 H ILE 48 -11.727 -23.102 -4.494 422 HA ILE 48 HA ILE 48 -13.066 -25.331 -5.782 423 HB ILE 48 HB ILE 48 -12.424 -24.139 -7.822 424 1HG1 ILE 48 2HG1 ILE 48 -10.718 -22.442 -5.967 425 2HG1 ILE 48 1HG1 ILE 48 -10.105 -23.593 -7.154 426 1HG2 ILE 48 1HG2 ILE 48 -13.333 -21.870 -7.212 427 2HG2 ILE 48 2HG2 ILE 48 -13.246 -22.350 -5.518 428 3HG2 ILE 48 3HG2 ILE 48 -14.312 -23.215 -6.625 429 1HD1 ILE 48 1HD1 ILE 48 -11.769 -22.091 -8.709 430 2HD1 ILE 48 2HD1 ILE 48 -10.045 -21.777 -8.528 431 3HD1 ILE 48 3HD1 ILE 48 -11.211 -20.881 -7.556 432 H VAL 49 H VAL 49 -9.692 -24.412 -5.183 433 HA VAL 49 HA VAL 49 -8.539 -26.452 -6.886 434 HB VAL 49 HB VAL 49 -7.449 -24.897 -4.520 435 1HG1 VAL 49 1HG1 VAL 49 -5.252 -25.338 -5.749 436 2HG1 VAL 49 2HG1 VAL 49 -6.131 -26.546 -6.687 437 3HG1 VAL 49 3HG1 VAL 49 -5.972 -26.731 -4.940 438 1HG2 VAL 49 1HG2 VAL 49 -6.550 -23.396 -6.271 439 2HG2 VAL 49 2HG2 VAL 49 -8.312 -23.462 -6.331 440 3HG2 VAL 49 3HG2 VAL 49 -7.355 -24.363 -7.506 441 H MET 50 H MET 50 -9.540 -26.351 -3.494 442 HA MET 50 HA MET 50 -8.270 -28.897 -2.857 443 1HB MET 50 2HB MET 50 -10.210 -27.117 -1.415 444 2HB MET 50 1HB MET 50 -9.419 -28.507 -0.684 445 1HG MET 50 2HG MET 50 -7.992 -26.114 -1.883 446 2HG MET 50 1HG MET 50 -8.225 -26.394 -0.158 447 1HE MET 50 1HE MET 50 -5.590 -25.766 -1.368 448 2HE MET 50 2HE MET 50 -4.428 -26.979 -0.835 449 3HE MET 50 3HE MET 50 -5.566 -26.290 0.322 450 H LEU 51 H LEU 51 -11.032 -28.137 -4.587 451 HA LEU 51 HA LEU 51 -12.390 -30.667 -3.713 452 1HB LEU 51 2HB LEU 51 -13.499 -28.082 -4.857 453 2HB LEU 51 1HB LEU 51 -14.468 -29.506 -4.473 454 HG LEU 51 HG LEU 51 -12.785 -27.934 -2.498 455 1HD1 LEU 51 1HD1 LEU 51 -15.790 -28.234 -2.537 456 2HD1 LEU 51 2HD1 LEU 51 -14.985 -26.925 -3.403 457 3HD1 LEU 51 3HD1 LEU 51 -14.820 -27.057 -1.652 458 1HD2 LEU 51 1HD2 LEU 51 -14.223 -30.538 -2.402 459 2HD2 LEU 51 2HD2 LEU 51 -14.403 -29.486 -0.999 460 3HD2 LEU 51 3HD2 LEU 51 -12.798 -30.008 -1.510 461 H LEU 52 H LEU 52 -11.566 -28.584 -6.482 462 HA LEU 52 HA LEU 52 -11.980 -30.961 -8.270 463 1HB LEU 52 2HB LEU 52 -12.415 -28.003 -8.802 464 2HB LEU 52 1HB LEU 52 -12.678 -29.299 -9.971 465 HG LEU 52 HG LEU 52 -14.122 -28.996 -7.321 466 1HD1 LEU 52 1HD2 LEU 52 -14.568 -27.579 -9.620 467 2HD1 LEU 52 2HD2 LEU 52 -15.823 -27.976 -8.444 468 3HD1 LEU 52 3HD2 LEU 52 -15.606 -28.983 -9.877 469 1HD2 LEU 52 1HD1 LEU 52 -14.109 -31.104 -9.469 470 2HD2 LEU 52 2HD1 LEU 52 -15.567 -30.824 -8.518 471 3HD2 LEU 52 3HD1 LEU 52 -14.071 -31.308 -7.718 Start of MODEL 2 1 1H MET 1 1HT MET 1 18.424 -0.278 -17.246 2 2H MET 1 2HT MET 1 18.095 -1.822 -17.872 3 H MET 1 H MET 1 19.071 -0.824 -16.622 4 3H MET 1 3HT MET 1 19.073 -1.651 -16.493 5 HA MET 1 HA MET 1 16.215 -0.863 -16.589 6 1HB MET 1 2HB MET 1 16.634 -3.263 -17.038 7 2HB MET 1 1HB MET 1 17.562 -3.350 -15.557 8 1HG MET 1 2HG MET 1 15.258 -4.174 -15.240 9 2HG MET 1 1HG MET 1 15.582 -2.751 -14.268 10 1HE MET 1 1HE MET 1 14.761 -2.536 -18.342 11 2HE MET 1 2HE MET 1 13.163 -3.222 -18.057 12 3HE MET 1 3HE MET 1 14.598 -4.091 -17.515 13 H ASP 2 H ASP 2 19.114 -0.100 -15.296 14 HA ASP 2 HA ASP 2 18.023 0.183 -12.516 15 1HB ASP 2 2HB ASP 2 19.965 -1.308 -12.728 16 2HB ASP 2 1HB ASP 2 20.867 -0.038 -13.556 17 H LYS 3 H LYS 3 18.825 1.912 -15.328 18 HA LYS 3 HA LYS 3 19.553 4.374 -13.838 19 1HB LYS 3 2HB LYS 3 21.026 3.689 -15.626 20 2HB LYS 3 1HB LYS 3 19.661 3.509 -16.716 21 1HG LYS 3 2HG LYS 3 19.183 5.904 -16.531 22 2HG LYS 3 1HG LYS 3 20.572 6.104 -15.464 23 1HD LYS 3 2HD LYS 3 20.667 5.119 -18.331 24 2HD LYS 3 1HD LYS 3 21.169 6.715 -17.775 25 1HE LYS 3 2HE LYS 3 22.903 5.674 -16.342 26 2HE LYS 3 1HE LYS 3 22.411 4.072 -16.928 27 1HZ LYS 3 1HZ LYS 3 24.100 4.685 -18.384 28 2HZ LYS 3 2HZ LYS 3 23.598 6.308 -18.453 29 3HZ LYS 3 3HZ LYS 3 22.692 5.102 -19.234 30 H VAL 4 H VAL 4 17.140 2.991 -16.025 31 HA VAL 4 HA VAL 4 15.658 5.377 -16.556 32 HB VAL 4 HB VAL 4 14.830 2.491 -16.385 33 1HG1 VAL 4 1HG1 VAL 4 13.453 4.972 -17.265 34 2HG1 VAL 4 2HG1 VAL 4 12.772 3.492 -16.588 35 3HG1 VAL 4 3HG1 VAL 4 13.245 3.548 -18.286 36 1HG2 VAL 4 1HG2 VAL 4 15.538 4.046 -18.863 37 2HG2 VAL 4 2HG2 VAL 4 15.448 2.297 -18.661 38 3HG2 VAL 4 3HG2 VAL 4 16.772 3.204 -17.928 39 H GLN 5 H GLN 5 15.132 2.807 -14.116 40 HA GLN 5 HA GLN 5 12.874 3.903 -12.829 41 1HB GLN 5 2HB GLN 5 13.654 2.524 -10.925 42 2HB GLN 5 1HB GLN 5 13.858 1.661 -12.450 43 1HG GLN 5 2HG GLN 5 16.227 2.353 -12.528 44 2HG GLN 5 1HG GLN 5 16.027 3.205 -10.995 45 1HE2 GLN 5 1HE2 GLN 5 16.753 1.979 -9.257 46 2HE2 GLN 5 2HE2 GLN 5 16.683 0.286 -9.156 47 H TYR 6 H TYR 6 16.306 4.700 -12.490 48 HA TYR 6 HA TYR 6 16.009 6.418 -10.189 49 1HB TYR 6 2HB TYR 6 18.101 5.287 -10.933 50 2HB TYR 6 1HB TYR 6 18.112 6.292 -12.376 51 HD1 TYR 6 1HD TYR 6 20.509 6.623 -11.209 52 HD2 TYR 6 2HD TYR 6 16.821 8.289 -9.752 53 HE1 TYR 6 1HE TYR 6 21.774 8.359 -9.974 54 HE2 TYR 6 2HE TYR 6 18.093 10.024 -8.525 55 HH TYR 6 HH TYR 6 20.244 10.468 -7.677 56 H LEU 7 H LEU 7 16.664 7.176 -13.633 57 HA LEU 7 HA LEU 7 16.295 9.977 -13.477 58 1HB LEU 7 2HB LEU 7 15.711 8.009 -15.714 59 2HB LEU 7 1HB LEU 7 15.908 9.749 -15.930 60 HG LEU 7 HG LEU 7 18.013 7.871 -14.813 61 1HD1 LEU 7 1HD1 LEU 7 17.826 7.480 -17.165 62 2HD1 LEU 7 2HD1 LEU 7 19.194 8.576 -16.964 63 3HD1 LEU 7 3HD1 LEU 7 17.636 9.201 -17.504 64 1HD2 LEU 7 1HD2 LEU 7 19.334 10.128 -15.427 65 2HD2 LEU 7 2HD2 LEU 7 18.612 9.871 -13.839 66 3HD2 LEU 7 3HD2 LEU 7 17.762 10.832 -15.050 67 H THR 8 H THR 8 13.929 7.370 -13.802 68 HA THR 8 HA THR 8 11.669 9.019 -14.461 69 HB THR 8 HB THR 8 11.894 6.310 -13.127 70 HG1 THR 8 1HG THR 8 11.562 5.616 -15.318 71 1HG2 THR 8 1HG2 THR 8 9.648 7.561 -13.040 72 2HG2 THR 8 2HG2 THR 8 9.634 5.935 -13.726 73 3HG2 THR 8 3HG2 THR 8 9.601 7.341 -14.790 74 H ARG 9 H ARG 9 12.758 7.565 -11.368 75 HA ARG 9 HA ARG 9 10.736 8.449 -9.656 76 1HB ARG 9 2HB ARG 9 12.656 6.987 -9.097 77 2HB ARG 9 1HB ARG 9 13.707 8.394 -9.168 78 1HG ARG 9 2HG ARG 9 12.447 9.461 -7.347 79 2HG ARG 9 1HG ARG 9 11.362 8.071 -7.280 80 1HD ARG 9 2HD ARG 9 13.288 6.603 -6.710 81 2HD ARG 9 1HD ARG 9 14.352 8.023 -6.724 82 HE ARG 9 HE ARG 9 13.505 8.521 -4.583 83 1HH1 ARG 9 1HH2 ARG 9 12.178 5.747 -4.551 84 2HH1 ARG 9 2HH2 ARG 9 10.550 6.174 -4.142 85 1HH2 ARG 9 1HH1 ARG 9 10.968 9.538 -4.873 86 2HH2 ARG 9 2HH1 ARG 9 9.866 8.320 -4.324 87 H SER 10 H SER 10 13.410 10.284 -11.027 88 HA SER 10 HA SER 10 12.913 12.662 -9.441 89 1HB SER 10 2HB SER 10 15.121 12.073 -10.305 90 2HB SER 10 1HB SER 10 14.491 12.124 -11.942 91 HG SER 10 HG SER 10 14.815 14.244 -10.101 92 H ALA 11 H ALA 11 11.772 11.331 -12.455 93 HA ALA 11 HA ALA 11 10.719 13.854 -13.479 94 1HB ALA 11 1HB ALA 11 11.519 11.563 -14.609 95 2HB ALA 11 2HB ALA 11 10.300 12.586 -15.369 96 3HB ALA 11 3HB ALA 11 9.808 11.175 -14.432 97 H ILE 12 H ILE 12 9.284 10.842 -12.181 98 HA ILE 12 HA ILE 12 6.569 11.662 -12.222 99 HB ILE 12 HB ILE 12 7.404 9.357 -11.859 100 1HG1 ILE 12 2HG1 ILE 12 5.862 8.740 -10.036 101 2HG1 ILE 12 1HG1 ILE 12 5.803 10.423 -9.509 102 1HG2 ILE 12 1HG2 ILE 12 8.097 10.172 -9.040 103 2HG2 ILE 12 2HG2 ILE 12 9.298 10.255 -10.328 104 3HG2 ILE 12 3HG2 ILE 12 8.563 8.709 -9.907 105 1HD1 ILE 12 1HD1 ILE 12 5.099 9.688 -12.344 106 2HD1 ILE 12 2HD1 ILE 12 4.619 11.111 -11.420 107 3HD1 ILE 12 3HD1 ILE 12 3.900 9.541 -11.060 108 H ARG 13 H ARG 13 9.133 12.138 -9.818 109 HA ARG 13 HA ARG 13 7.660 13.174 -7.652 110 1HB ARG 13 2HB ARG 13 10.072 12.685 -7.659 111 2HB ARG 13 1HB ARG 13 10.349 13.998 -8.803 112 1HG ARG 13 2HG ARG 13 9.466 15.613 -7.136 113 2HG ARG 13 1HG ARG 13 9.264 14.290 -5.987 114 1HD ARG 13 2HD ARG 13 11.915 15.068 -7.251 115 2HD ARG 13 1HD ARG 13 11.406 15.510 -5.612 116 HE ARG 13 HE ARG 13 12.386 12.932 -6.375 117 1HH1 ARG 13 1HH1 ARG 13 12.419 13.749 -3.566 118 2HH1 ARG 13 2HH1 ARG 13 11.161 12.793 -2.853 119 1HH2 ARG 13 1HH2 ARG 13 9.674 12.009 -5.888 120 2HH2 ARG 13 2HH2 ARG 13 9.605 11.812 -4.168 121 H ARG 14 H ARG 14 8.290 14.571 -10.795 122 HA ARG 14 HA ARG 14 7.920 17.333 -10.185 123 1HB ARG 14 2HB ARG 14 7.202 15.710 -12.654 124 2HB ARG 14 1HB ARG 14 7.358 17.463 -12.593 125 1HG ARG 14 2HG ARG 14 9.702 17.311 -12.030 126 2HG ARG 14 1HG ARG 14 9.588 15.568 -11.823 127 1HD ARG 14 2HD ARG 14 10.603 15.944 -13.982 128 2HD ARG 14 1HD ARG 14 8.935 15.438 -14.294 129 HE ARG 14 HE ARG 14 10.039 18.056 -14.879 130 1HH1 ARG 14 1HH2 ARG 14 7.484 16.263 -15.699 131 2HH1 ARG 14 2HH2 ARG 14 6.269 17.482 -15.510 132 1HH2 ARG 14 1HH1 ARG 14 8.361 19.687 -13.842 133 2HH2 ARG 14 2HH1 ARG 14 6.764 19.420 -14.456 134 H ALA 15 H ALA 15 5.595 14.759 -10.975 135 HA ALA 15 HA ALA 15 3.364 16.620 -10.369 136 1HB ALA 15 1HB ALA 15 3.853 14.855 -12.446 137 2HB ALA 15 2HB ALA 15 2.275 15.532 -12.041 138 3HB ALA 15 3HB ALA 15 2.746 13.951 -11.415 139 H SER 16 H SER 16 5.067 13.834 -9.200 140 HA SER 16 HA SER 16 2.893 12.965 -7.438 141 1HB SER 16 2HB SER 16 4.353 11.364 -8.583 142 2HB SER 16 1HB SER 16 5.744 12.083 -7.793 143 HG SER 16 HG SER 16 4.692 11.525 -5.778 144 H THR 17 H THR 17 4.485 15.641 -7.194 145 HA THR 17 HA THR 17 5.142 15.316 -4.308 146 HB THR 17 HB THR 17 6.487 17.006 -6.437 147 HG1 THR 17 1HG THR 17 7.009 14.804 -6.504 148 1HG2 THR 17 1HG2 THR 17 6.953 16.751 -3.456 149 2HG2 THR 17 2HG2 THR 17 6.581 18.217 -4.365 150 3HG2 THR 17 3HG2 THR 17 8.146 17.430 -4.563 151 H ILE 18 H ILE 18 3.368 17.071 -6.696 152 HA ILE 18 HA ILE 18 2.911 19.367 -4.905 153 HB ILE 18 HB ILE 18 3.336 19.692 -7.321 154 1HG1 ILE 18 2HG1 ILE 18 1.363 21.100 -7.804 155 2HG1 ILE 18 1HG1 ILE 18 0.477 20.304 -6.503 156 1HG2 ILE 18 1HG2 ILE 18 1.404 18.972 -8.860 157 2HG2 ILE 18 2HG2 ILE 18 0.911 17.902 -7.548 158 3HG2 ILE 18 3HG2 ILE 18 2.491 17.699 -8.304 159 1HD1 ILE 18 1HD1 ILE 18 3.138 21.508 -5.860 160 2HD1 ILE 18 2HD1 ILE 18 1.708 21.340 -4.841 161 3HD1 ILE 18 3HD1 ILE 18 1.766 22.594 -6.082 162 H GLU 19 H GLU 19 1.462 16.360 -5.825 163 HA GLU 19 HA GLU 19 -1.043 17.129 -4.416 164 1HB GLU 19 2HB GLU 19 -2.156 15.527 -5.938 165 2HB GLU 19 1HB GLU 19 -1.311 16.781 -6.846 166 1HG GLU 19 2HG GLU 19 0.605 15.274 -7.174 167 2HG GLU 19 1HG GLU 19 -0.211 14.021 -6.239 168 H MET 20 H MET 20 1.707 15.555 -3.841 169 HA MET 20 HA MET 20 1.131 12.880 -3.194 170 1HB MET 20 2HB MET 20 3.354 13.900 -3.191 171 2HB MET 20 1HB MET 20 2.912 14.908 -1.815 172 1HG MET 20 2HG MET 20 2.549 12.889 -0.444 173 2HG MET 20 1HG MET 20 2.994 11.877 -1.819 174 1HE MET 20 1HE MET 20 4.818 12.425 -3.224 175 2HE MET 20 2HE MET 20 6.439 12.223 -2.563 176 3HE MET 20 3HE MET 20 5.844 13.837 -2.939 177 HA PRO 21 HA PRO 21 -0.256 14.311 1.154 178 1HB PRO 21 2HB PRO 21 -1.158 16.878 1.446 179 2HB PRO 21 1HB PRO 21 0.523 16.404 1.723 180 1HG PRO 21 2HG PRO 21 -0.691 17.746 -0.606 181 2HG PRO 21 1HG PRO 21 0.894 17.988 0.132 182 1HD PRO 21 2HD PRO 21 0.477 16.578 -2.167 183 2HD PRO 21 1HD PRO 21 1.855 16.314 -1.081 184 H GLN 22 H GLN 22 -1.892 15.854 -1.600 185 HA GLN 22 HA GLN 22 -4.544 15.242 -0.449 186 1HB GLN 22 2HB GLN 22 -3.650 16.502 -3.031 187 2HB GLN 22 1HB GLN 22 -5.317 16.436 -2.478 188 1HG GLN 22 2HG GLN 22 -4.690 17.716 -0.457 189 2HG GLN 22 1HG GLN 22 -3.024 17.801 -1.034 190 1HE2 GLN 22 1HE2 GLN 22 -5.828 19.597 -0.932 191 2HE2 GLN 22 2HE2 GLN 22 -5.583 20.573 -2.298 192 H GLN 23 H GLN 23 -2.239 13.626 -2.347 193 HA GLN 23 HA GLN 23 -4.264 12.043 -3.795 194 1HB GLN 23 2HB GLN 23 -2.363 12.991 -5.020 195 2HB GLN 23 1HB GLN 23 -1.264 12.178 -3.920 196 1HG GLN 23 2HG GLN 23 -1.462 10.908 -6.010 197 2HG GLN 23 1HG GLN 23 -2.126 9.989 -4.664 198 1HE2 GLN 23 1HE2 GLN 23 -2.799 10.916 -7.815 199 2HE2 GLN 23 2HE2 GLN 23 -4.489 10.770 -7.786 200 H ALA 24 H ALA 24 -1.581 11.675 -1.493 201 HA ALA 24 HA ALA 24 -1.820 8.830 -1.178 202 1HB ALA 24 1HB ALA 24 -0.273 9.187 0.599 203 2HB ALA 24 2HB ALA 24 -0.890 10.809 0.912 204 3HB ALA 24 3HB ALA 24 0.063 10.492 -0.538 205 H ARG 25 H ARG 25 -3.168 11.607 0.649 206 HA ARG 25 HA ARG 25 -4.509 10.179 2.683 207 1HB ARG 25 2HB ARG 25 -4.221 12.612 2.564 208 2HB ARG 25 1HB ARG 25 -5.309 12.669 1.190 209 1HG ARG 25 2HG ARG 25 -7.129 11.731 2.577 210 2HG ARG 25 1HG ARG 25 -6.048 11.708 3.965 211 1HD ARG 25 2HD ARG 25 -6.545 14.291 2.481 212 2HD ARG 25 1HD ARG 25 -7.682 13.730 3.719 213 HE ARG 25 HE ARG 25 -6.076 14.338 5.329 214 1HH1 ARG 25 1HH1 ARG 25 -4.656 15.958 3.163 215 2HH1 ARG 25 2HH1 ARG 25 -3.034 15.374 3.332 216 1HH2 ARG 25 1HH2 ARG 25 -3.950 12.590 5.188 217 2HH2 ARG 25 2HH2 ARG 25 -2.635 13.464 4.478 218 H GLN 26 H GLN 26 -5.375 10.773 -0.674 219 HA GLN 26 HA GLN 26 -8.061 9.709 -0.493 220 1HB GLN 26 2HB GLN 26 -6.188 10.170 -2.805 221 2HB GLN 26 1HB GLN 26 -7.923 9.912 -2.948 222 1HG GLN 26 2HG GLN 26 -6.632 12.184 -1.414 223 2HG GLN 26 1HG GLN 26 -7.290 12.328 -3.043 224 1HE2 GLN 26 1HE2 GLN 26 -9.402 13.080 -3.086 225 2HE2 GLN 26 2HE2 GLN 26 -10.540 12.880 -1.843 226 H ASN 27 H ASN 27 -5.058 8.520 -2.004 227 HA ASN 27 HA ASN 27 -5.972 5.912 -2.637 228 1HB ASN 27 2HB ASN 27 -3.274 7.042 -1.962 229 2HB ASN 27 1HB ASN 27 -3.495 5.436 -2.641 230 1HD2 ASN 27 1HD2 ASN 27 -2.745 8.518 -3.564 231 2HD2 ASN 27 2HD2 ASN 27 -3.362 8.508 -5.146 232 H LEU 28 H LEU 28 -4.588 7.209 0.356 233 HA LEU 28 HA LEU 28 -3.989 4.873 1.769 234 1HB LEU 28 2HB LEU 28 -3.614 7.196 2.508 235 2HB LEU 28 1HB LEU 28 -5.348 7.375 2.743 236 HG LEU 28 HG LEU 28 -5.330 5.571 4.415 237 1HD1 LEU 28 1HD1 LEU 28 -2.800 5.068 5.164 238 2HD1 LEU 28 2HD1 LEU 28 -2.515 5.356 3.446 239 3HD1 LEU 28 3HD1 LEU 28 -3.629 4.086 3.956 240 1HD2 LEU 28 1HD2 LEU 28 -3.514 7.943 4.728 241 2HD2 LEU 28 2HD2 LEU 28 -3.643 6.773 6.043 242 3HD2 LEU 28 3HD2 LEU 28 -5.078 7.632 5.480 243 H GLN 29 H GLN 29 -7.133 6.198 0.950 244 HA GLN 29 HA GLN 29 -8.685 4.635 2.795 245 1HB GLN 29 2HB GLN 29 -9.342 5.920 0.156 246 2HB GLN 29 1HB GLN 29 -10.537 5.375 1.323 247 1HG GLN 29 2HG GLN 29 -8.395 7.443 1.887 248 2HG GLN 29 1HG GLN 29 -10.067 7.824 1.487 249 1HE2 GLN 29 1HE2 GLN 29 -10.492 5.068 3.241 250 2HE2 GLN 29 2HE2 GLN 29 -10.573 5.721 4.801 251 H ASN 30 H ASN 30 -8.275 4.298 -0.746 252 HA ASN 30 HA ASN 30 -9.528 1.801 -1.059 253 1HB ASN 30 2HB ASN 30 -7.140 2.966 -2.470 254 2HB ASN 30 1HB ASN 30 -8.161 1.689 -3.115 255 1HD2 ASN 30 1HD2 ASN 30 -9.711 2.480 -4.538 256 2HD2 ASN 30 2HD2 ASN 30 -10.434 4.013 -4.446 257 H LEU 31 H LEU 31 -6.248 2.561 0.008 258 HA LEU 31 HA LEU 31 -5.047 0.016 -0.176 259 1HB LEU 31 2HB LEU 31 -3.925 2.137 0.374 260 2HB LEU 31 1HB LEU 31 -4.764 2.159 1.916 261 HG LEU 31 HG LEU 31 -3.672 0.055 2.567 262 1HD1 LEU 31 1HD1 LEU 31 -1.589 -0.209 0.725 263 2HD1 LEU 31 2HD1 LEU 31 -3.016 0.057 -0.276 264 3HD1 LEU 31 3HD1 LEU 31 -2.984 -1.278 0.875 265 1HD2 LEU 31 1HD2 LEU 31 -2.535 2.125 3.163 266 2HD2 LEU 31 2HD2 LEU 31 -1.792 2.214 1.566 267 3HD2 LEU 31 3HD2 LEU 31 -1.328 0.931 2.684 268 H PHE 32 H PHE 32 -7.272 1.321 2.229 269 HA PHE 32 HA PHE 32 -6.979 -0.829 4.123 270 1HB PHE 32 2HB PHE 32 -7.746 1.452 4.668 271 2HB PHE 32 1HB PHE 32 -9.171 1.212 3.658 272 HD1 PHE 32 1HD PHE 32 -7.367 -0.703 6.345 273 HD2 PHE 32 2HD PHE 32 -11.122 0.720 4.821 274 HE1 PHE 32 1HE PHE 32 -8.545 -1.762 8.253 275 HE2 PHE 32 2HE PHE 32 -12.299 -0.341 6.730 276 HZ PHE 32 HZ PHE 32 -11.009 -1.582 8.446 277 H ILE 33 H ILE 33 -9.813 0.053 2.117 278 HA ILE 33 HA ILE 33 -11.273 -2.330 2.434 279 HB ILE 33 HB ILE 33 -11.979 -0.143 1.419 280 1HG1 ILE 33 2HG1 ILE 33 -13.335 -2.228 1.097 281 2HG1 ILE 33 1HG1 ILE 33 -13.515 -1.071 -0.216 282 1HG2 ILE 33 1HG2 ILE 33 -9.937 0.096 -0.008 283 2HG2 ILE 33 2HG2 ILE 33 -11.445 0.359 -0.884 284 3HG2 ILE 33 3HG2 ILE 33 -10.578 -1.166 -1.062 285 1HD1 ILE 33 1HD1 ILE 33 -13.108 -2.873 -1.543 286 2HD1 ILE 33 2HD1 ILE 33 -12.341 -3.781 -0.241 287 3HD1 ILE 33 3HD1 ILE 33 -11.420 -2.574 -1.135 288 H ASN 34 H ASN 34 -8.756 -1.558 0.017 289 HA ASN 34 HA ASN 34 -8.958 -3.973 -1.490 290 1HB ASN 34 2HB ASN 34 -7.804 -1.914 -2.208 291 2HB ASN 34 1HB ASN 34 -6.606 -2.136 -0.931 292 1HD2 ASN 34 1HD2 ASN 34 -7.052 -2.651 -4.195 293 2HD2 ASN 34 2HD2 ASN 34 -5.987 -3.953 -4.418 294 H PHE 35 H PHE 35 -6.699 -3.079 1.144 295 HA PHE 35 HA PHE 35 -5.226 -5.444 1.364 296 1HB PHE 35 2HB PHE 35 -4.842 -3.365 2.625 297 2HB PHE 35 1HB PHE 35 -6.327 -3.632 3.537 298 HD1 PHE 35 1HD PHE 35 -3.308 -5.651 2.565 299 HD2 PHE 35 2HD PHE 35 -6.027 -4.480 5.677 300 HE1 PHE 35 1HE PHE 35 -2.067 -7.063 4.183 301 HE2 PHE 35 2HE PHE 35 -4.786 -5.893 7.294 302 HZ PHE 35 HZ PHE 35 -2.805 -7.185 6.546 303 H CYS 36 H CYS 36 -8.573 -4.901 2.221 304 HA CYS 36 HA CYS 36 -8.725 -7.420 3.740 305 1HB CYS 36 2HB CYS 36 -9.826 -5.373 4.549 306 2HB CYS 36 1HB CYS 36 -10.760 -5.281 3.057 307 HG CYS 36 HG CYS 36 -12.343 -6.563 4.576 308 H LEU 37 H LEU 37 -9.193 -6.329 0.511 309 HA LEU 37 HA LEU 37 -11.178 -8.395 -0.152 310 1HB LEU 37 2HB LEU 37 -11.249 -6.095 -1.065 311 2HB LEU 37 1HB LEU 37 -9.701 -6.391 -1.860 312 HG LEU 37 HG LEU 37 -10.682 -8.230 -3.149 313 1HD1 LEU 37 1HD2 LEU 37 -12.337 -9.205 -1.804 314 2HD1 LEU 37 2HD2 LEU 37 -13.307 -8.316 -2.981 315 3HD1 LEU 37 3HD2 LEU 37 -13.040 -7.646 -1.371 316 1HD2 LEU 37 1HD1 LEU 37 -10.966 -6.352 -4.433 317 2HD2 LEU 37 2HD1 LEU 37 -11.849 -5.501 -3.166 318 3HD2 LEU 37 3HD1 LEU 37 -12.668 -6.715 -4.146 319 H ILE 38 H ILE 38 -7.752 -7.665 -0.830 320 HA ILE 38 HA ILE 38 -7.413 -10.039 -2.494 321 HB ILE 38 HB ILE 38 -5.562 -8.019 -1.255 322 1HG1 ILE 38 2HG1 ILE 38 -5.233 -7.395 -3.673 323 2HG1 ILE 38 1HG1 ILE 38 -6.513 -8.535 -4.079 324 1HG2 ILE 38 1HG2 ILE 38 -4.221 -9.985 -1.423 325 2HG2 ILE 38 2HG2 ILE 38 -3.845 -9.026 -2.855 326 3HG2 ILE 38 3HG2 ILE 38 -4.927 -10.411 -2.982 327 1HD1 ILE 38 1HD1 ILE 38 -8.161 -7.254 -2.965 328 2HD1 ILE 38 2HD1 ILE 38 -7.173 -6.057 -3.803 329 3HD1 ILE 38 3HD1 ILE 38 -6.953 -6.327 -2.075 330 H LEU 39 H LEU 39 -6.536 -9.099 0.826 331 HA LEU 39 HA LEU 39 -5.077 -11.330 1.658 332 1HB LEU 39 2HB LEU 39 -5.704 -9.142 2.830 333 2HB LEU 39 1HB LEU 39 -7.236 -9.909 3.243 334 HG LEU 39 HG LEU 39 -4.522 -11.035 3.928 335 1HD1 LEU 39 1HD2 LEU 39 -5.503 -10.375 6.314 336 2HD1 LEU 39 2HD2 LEU 39 -6.357 -9.162 5.361 337 3HD1 LEU 39 3HD2 LEU 39 -4.595 -9.213 5.350 338 1HD2 LEU 39 1HD1 LEU 39 -5.872 -12.888 4.088 339 2HD2 LEU 39 2HD1 LEU 39 -7.335 -11.927 4.310 340 3HD2 LEU 39 3HD1 LEU 39 -6.234 -12.183 5.663 341 H ILE 40 H ILE 40 -8.611 -10.931 1.474 342 HA ILE 40 HA ILE 40 -9.097 -13.645 2.448 343 HB ILE 40 HB ILE 40 -11.444 -12.997 2.180 344 1HG1 ILE 40 2HG1 ILE 40 -10.336 -10.527 0.798 345 2HG1 ILE 40 1HG1 ILE 40 -11.224 -11.830 0.010 346 1HG2 ILE 40 1HG2 ILE 40 -9.461 -11.453 3.624 347 2HG2 ILE 40 2HG2 ILE 40 -11.076 -11.946 4.134 348 3HG2 ILE 40 3HG2 ILE 40 -10.858 -10.457 3.216 349 1HD1 ILE 40 1HD1 ILE 40 -12.835 -10.123 0.437 350 2HD1 ILE 40 2HD1 ILE 40 -12.245 -9.881 2.081 351 3HD1 ILE 40 3HD1 ILE 40 -13.112 -11.359 1.664 352 H PHE 41 H PHE 41 -9.228 -11.912 -0.658 353 HA PHE 41 HA PHE 41 -10.464 -13.833 -2.291 354 1HB PHE 41 2HB PHE 41 -9.757 -11.559 -2.957 355 2HB PHE 41 1HB PHE 41 -8.067 -12.059 -2.867 356 HD1 PHE 41 1HD PHE 41 -11.250 -13.391 -4.366 357 HD2 PHE 41 2HD PHE 41 -7.073 -12.542 -4.913 358 HE1 PHE 41 1HE PHE 41 -11.379 -14.245 -6.691 359 HE2 PHE 41 2HE PHE 41 -7.203 -13.398 -7.237 360 HZ PHE 41 HZ PHE 41 -9.355 -14.250 -8.126 361 H LEU 42 H LEU 42 -7.092 -13.713 -1.167 362 HA LEU 42 HA LEU 42 -6.080 -15.859 -2.744 363 1HB LEU 42 2HB LEU 42 -5.333 -14.804 -0.003 364 2HB LEU 42 1HB LEU 42 -4.320 -15.885 -0.961 365 HG LEU 42 HG LEU 42 -5.263 -13.132 -1.817 366 1HD1 LEU 42 1HD2 LEU 42 -2.509 -14.154 -1.055 367 2HD1 LEU 42 2HD2 LEU 42 -3.516 -13.098 -0.063 368 3HD1 LEU 42 3HD2 LEU 42 -2.890 -12.523 -1.607 369 1HD2 LEU 42 1HD1 LEU 42 -5.032 -14.278 -3.827 370 2HD2 LEU 42 2HD1 LEU 42 -3.797 -15.362 -3.187 371 3HD2 LEU 42 3HD1 LEU 42 -3.384 -13.694 -3.588 372 H LEU 43 H LEU 43 -8.228 -15.882 -0.032 373 HA LEU 43 HA LEU 43 -7.593 -18.636 0.749 374 1HB LEU 43 2HB LEU 43 -8.189 -16.915 2.395 375 2HB LEU 43 1HB LEU 43 -9.740 -16.669 1.590 376 HG LEU 43 HG LEU 43 -10.366 -19.005 2.071 377 1HD1 LEU 43 1HD2 LEU 43 -8.617 -19.905 3.981 378 2HD1 LEU 43 2HD2 LEU 43 -7.522 -19.107 2.853 379 3HD1 LEU 43 3HD2 LEU 43 -8.580 -20.399 2.289 380 1HD2 LEU 43 1HD1 LEU 43 -10.187 -16.893 3.886 381 2HD2 LEU 43 2HD1 LEU 43 -9.536 -18.273 4.771 382 3HD2 LEU 43 3HD1 LEU 43 -11.158 -18.352 4.084 383 H LEU 44 H LEU 44 -10.171 -16.906 -0.987 384 HA LEU 44 HA LEU 44 -11.874 -19.234 -1.241 385 1HB LEU 44 2HB LEU 44 -11.757 -16.498 -2.517 386 2HB LEU 44 1HB LEU 44 -12.988 -17.678 -2.961 387 HG LEU 44 HG LEU 44 -13.870 -16.197 -1.234 388 1HD1 LEU 44 1HD1 LEU 44 -14.806 -17.858 0.081 389 2HD1 LEU 44 2HD1 LEU 44 -13.272 -18.704 0.287 390 3HD1 LEU 44 3HD1 LEU 44 -14.151 -18.828 -1.238 391 1HD2 LEU 44 1HD2 LEU 44 -12.852 -15.868 0.882 392 2HD2 LEU 44 2HD2 LEU 44 -11.542 -15.699 -0.285 393 3HD2 LEU 44 3HD2 LEU 44 -11.719 -17.196 0.632 394 H ILE 45 H ILE 45 -9.595 -17.576 -3.458 395 HA ILE 45 HA ILE 45 -10.078 -19.096 -5.786 396 HB ILE 45 HB ILE 45 -7.752 -18.471 -6.364 397 1HG1 ILE 45 2HG1 ILE 45 -7.588 -17.595 -3.462 398 2HG1 ILE 45 1HG1 ILE 45 -6.760 -18.994 -4.148 399 1HG2 ILE 45 1HG2 ILE 45 -9.126 -16.647 -6.749 400 2HG2 ILE 45 2HG2 ILE 45 -8.019 -15.957 -5.563 401 3HG2 ILE 45 3HG2 ILE 45 -9.611 -16.520 -5.058 402 1HD1 ILE 45 1HD1 ILE 45 -5.588 -17.494 -5.744 403 2HD1 ILE 45 2HD1 ILE 45 -5.230 -17.080 -4.067 404 3HD1 ILE 45 3HD1 ILE 45 -6.374 -16.106 -4.993 405 H CYS 46 H CYS 46 -8.510 -20.040 -2.811 406 HA CYS 46 HA CYS 46 -7.138 -22.347 -3.911 407 1HB CYS 46 2HB CYS 46 -6.383 -21.122 -1.925 408 2HB CYS 46 1HB CYS 46 -7.881 -21.547 -1.110 409 HG CYS 46 HG CYS 46 -6.427 -23.459 -0.350 410 H ILE 47 H ILE 47 -10.292 -21.692 -2.535 411 HA ILE 47 HA ILE 47 -11.146 -24.246 -1.742 412 HB ILE 47 HB ILE 47 -12.607 -21.990 -3.150 413 1HG1 ILE 47 2HG1 ILE 47 -11.451 -21.317 -1.068 414 2HG1 ILE 47 1HG1 ILE 47 -13.199 -21.314 -0.845 415 1HG2 ILE 47 1HG2 ILE 47 -13.481 -24.582 -2.070 416 2HG2 ILE 47 2HG2 ILE 47 -14.295 -23.498 -3.199 417 3HG2 ILE 47 3HG2 ILE 47 -14.395 -23.202 -1.463 418 1HD1 ILE 47 1HD1 ILE 47 -11.160 -22.983 0.444 419 2HD1 ILE 47 2HD1 ILE 47 -12.515 -23.911 -0.196 420 3HD1 ILE 47 3HD1 ILE 47 -12.804 -22.615 0.964 421 H ILE 48 H ILE 48 -11.291 -22.784 -5.008 422 HA ILE 48 HA ILE 48 -12.448 -25.140 -6.225 423 HB ILE 48 HB ILE 48 -12.063 -23.879 -8.300 424 1HG1 ILE 48 2HG1 ILE 48 -10.460 -21.998 -6.537 425 2HG1 ILE 48 1HG1 ILE 48 -9.780 -23.082 -7.747 426 1HG2 ILE 48 1HG2 ILE 48 -12.934 -22.199 -5.933 427 2HG2 ILE 48 2HG2 ILE 48 -13.965 -23.179 -6.975 428 3HG2 ILE 48 3HG2 ILE 48 -13.185 -21.733 -7.614 429 1HD1 ILE 48 1HD1 ILE 48 -11.959 -21.370 -8.749 430 2HD1 ILE 48 2HD1 ILE 48 -10.392 -21.735 -9.472 431 3HD1 ILE 48 3HD1 ILE 48 -10.522 -20.485 -8.234 432 H VAL 49 H VAL 49 -9.165 -23.873 -5.831 433 HA VAL 49 HA VAL 49 -7.847 -25.685 -7.630 434 HB VAL 49 HB VAL 49 -6.905 -24.285 -5.105 435 1HG1 VAL 49 1HG2 VAL 49 -5.523 -25.829 -7.263 436 2HG1 VAL 49 2HG2 VAL 49 -5.157 -25.739 -5.540 437 3HG1 VAL 49 3HG2 VAL 49 -4.711 -24.407 -6.607 438 1HG2 VAL 49 1HG1 VAL 49 -6.831 -22.370 -6.306 439 2HG2 VAL 49 2HG1 VAL 49 -7.855 -23.190 -7.484 440 3HG2 VAL 49 3HG1 VAL 49 -6.104 -23.186 -7.691 441 H MET 50 H MET 50 -8.865 -25.940 -4.254 442 HA MET 50 HA MET 50 -7.439 -28.430 -3.786 443 1HB MET 50 2HB MET 50 -9.575 -26.933 -2.300 444 2HB MET 50 1HB MET 50 -8.732 -28.331 -1.650 445 1HG MET 50 2HG MET 50 -7.407 -25.752 -2.547 446 2HG MET 50 1HG MET 50 -7.717 -26.202 -0.870 447 1HE MET 50 1HE MET 50 -7.209 -29.442 -1.103 448 2HE MET 50 2HE MET 50 -6.962 -28.292 0.210 449 3HE MET 50 3HE MET 50 -5.637 -29.338 -0.298 450 H LEU 51 H LEU 51 -10.357 -27.625 -5.362 451 HA LEU 51 HA LEU 51 -11.448 -30.379 -4.895 452 1HB LEU 51 2HB LEU 51 -12.779 -27.800 -5.788 453 2HB LEU 51 1HB LEU 51 -13.609 -29.328 -5.485 454 HG LEU 51 HG LEU 51 -12.020 -27.749 -3.439 455 1HD1 LEU 51 1HD2 LEU 51 -14.077 -26.604 -3.821 456 2HD1 LEU 51 2HD2 LEU 51 -14.351 -27.591 -2.385 457 3HD1 LEU 51 3HD2 LEU 51 -14.978 -28.114 -3.948 458 1HD2 LEU 51 1HD1 LEU 51 -11.819 -29.876 -2.598 459 2HD2 LEU 51 2HD1 LEU 51 -13.218 -30.473 -3.491 460 3HD2 LEU 51 3HD1 LEU 51 -13.450 -29.535 -2.015 461 H LEU 52 H LEU 52 -10.570 -27.977 -7.341 462 HA LEU 52 HA LEU 52 -11.175 -29.981 -9.486 463 1HB LEU 52 2HB LEU 52 -10.792 -26.970 -9.553 464 2HB LEU 52 1HB LEU 52 -11.225 -27.971 -10.938 465 HG LEU 52 HG LEU 52 -12.859 -27.681 -8.399 466 1HD1 LEU 52 1HD1 LEU 52 -12.647 -25.964 -10.606 467 2HD1 LEU 52 2HD1 LEU 52 -13.942 -25.979 -9.409 468 3HD1 LEU 52 3HD1 LEU 52 -14.112 -26.900 -10.904 469 1HD2 LEU 52 1HD2 LEU 52 -13.603 -29.727 -9.083 470 2HD2 LEU 52 2HD2 LEU 52 -12.935 -29.533 -10.704 471 3HD2 LEU 52 3HD2 LEU 52 -14.484 -28.795 -10.294 Start of MODEL 3 1 1H MET 1 1HT MET 1 13.880 -8.472 12.991 2 2H MET 1 2HT MET 1 15.514 -8.312 12.560 3 H MET 1 H MET 1 14.582 -8.402 13.214 4 3H MET 1 3HT MET 1 14.393 -8.917 11.437 5 HA MET 1 HA MET 1 15.094 -6.521 11.123 6 1HB MET 1 2HB MET 1 12.718 -5.958 10.580 7 2HB MET 1 1HB MET 1 13.183 -7.562 10.049 8 1HG MET 1 2HG MET 1 12.165 -8.550 12.048 9 2HG MET 1 1HG MET 1 11.717 -6.942 12.595 10 1HE MET 1 1HE MET 1 8.291 -8.026 11.877 11 2HE MET 1 2HE MET 1 9.652 -8.065 12.995 12 3HE MET 1 3HE MET 1 9.345 -9.447 11.946 13 H ASP 2 H ASP 2 15.216 -4.568 12.065 14 HA ASP 2 HA ASP 2 13.496 -3.703 14.245 15 1HB ASP 2 2HB ASP 2 15.336 -3.678 15.951 16 2HB ASP 2 1HB ASP 2 14.863 -5.296 15.451 17 H LYS 3 H LYS 3 16.482 -3.193 12.399 18 HA LYS 3 HA LYS 3 16.249 -0.260 12.942 19 1HB LYS 3 2HB LYS 3 18.625 -0.220 12.369 20 2HB LYS 3 1HB LYS 3 18.322 -1.417 13.626 21 1HG LYS 3 2HG LYS 3 18.355 -3.212 11.980 22 2HG LYS 3 1HG LYS 3 18.521 -2.043 10.667 23 1HD LYS 3 2HD LYS 3 20.710 -2.995 11.227 24 2HD LYS 3 1HD LYS 3 20.662 -1.281 11.637 25 1HE LYS 3 2HE LYS 3 20.203 -1.841 13.998 26 2HE LYS 3 1HE LYS 3 20.246 -3.568 13.595 27 1HZ LYS 3 1HZ LYS 3 22.417 -2.863 14.342 28 2HZ LYS 3 2HZ LYS 3 22.450 -1.613 13.192 29 3HZ LYS 3 3HZ LYS 3 22.487 -3.236 12.690 30 H VAL 4 H VAL 4 15.950 -2.663 10.482 31 HA VAL 4 HA VAL 4 16.331 -0.676 8.304 32 HB VAL 4 HB VAL 4 17.391 -2.890 8.158 33 1HG1 VAL 4 1HG2 VAL 4 15.173 -4.571 7.629 34 2HG1 VAL 4 2HG2 VAL 4 14.817 -3.737 9.139 35 3HG1 VAL 4 3HG2 VAL 4 16.299 -4.678 8.981 36 1HG2 VAL 4 1HG1 VAL 4 16.541 -3.535 5.944 37 2HG2 VAL 4 2HG1 VAL 4 16.616 -1.779 6.080 38 3HG2 VAL 4 3HG1 VAL 4 15.067 -2.608 6.227 39 H GLN 5 H GLN 5 13.763 -2.381 9.980 40 HA GLN 5 HA GLN 5 11.794 -1.724 7.899 41 1HB GLN 5 2HB GLN 5 11.611 -3.077 10.606 42 2HB GLN 5 1HB GLN 5 10.287 -2.975 9.447 43 1HG GLN 5 2HG GLN 5 12.969 -4.299 8.942 44 2HG GLN 5 1HG GLN 5 11.453 -5.143 9.263 45 1HE2 GLN 5 1HE2 GLN 5 13.421 -4.203 6.740 46 2HE2 GLN 5 2HE2 GLN 5 12.262 -4.109 5.504 47 H TYR 6 H TYR 6 12.047 -1.124 11.424 48 HA TYR 6 HA TYR 6 10.035 0.897 11.499 49 1HB TYR 6 2HB TYR 6 12.437 0.372 13.277 50 2HB TYR 6 1HB TYR 6 11.027 1.330 13.730 51 HD1 TYR 6 1HD TYR 6 8.700 0.014 13.039 52 HD2 TYR 6 2HD TYR 6 12.441 -1.792 14.130 53 HE1 TYR 6 1HE TYR 6 7.505 -2.052 13.710 54 HE2 TYR 6 2HE TYR 6 11.246 -3.859 14.801 55 HH TYR 6 HH TYR 6 8.001 -4.455 13.985 56 H LEU 7 H LEU 7 13.384 1.011 10.508 57 HA LEU 7 HA LEU 7 13.774 3.843 10.936 58 1HB LEU 7 2HB LEU 7 15.601 2.249 10.839 59 2HB LEU 7 1HB LEU 7 15.141 1.809 9.200 60 HG LEU 7 HG LEU 7 15.605 4.107 8.440 61 1HD1 LEU 7 1HD1 LEU 7 16.746 5.661 10.034 62 2HD1 LEU 7 2HD1 LEU 7 16.416 4.517 11.334 63 3HD1 LEU 7 3HD1 LEU 7 15.081 5.309 10.495 64 1HD2 LEU 7 1HD2 LEU 7 17.782 2.656 9.955 65 2HD2 LEU 7 2HD2 LEU 7 18.114 4.083 8.973 66 3HD2 LEU 7 3HD2 LEU 7 17.460 2.629 8.222 67 H THR 8 H THR 8 13.403 1.964 7.900 68 HA THR 8 HA THR 8 13.101 4.160 6.151 69 HB THR 8 HB THR 8 11.781 1.433 6.079 70 HG1 THR 8 1HG THR 8 13.883 1.012 6.179 71 1HG2 THR 8 1HG2 THR 8 12.009 3.668 4.157 72 2HG2 THR 8 2HG2 THR 8 10.809 2.380 4.249 73 3HG2 THR 8 3HG2 THR 8 12.380 2.073 3.507 74 H ARG 9 H ARG 9 10.744 2.580 8.265 75 HA ARG 9 HA ARG 9 8.321 3.562 7.254 76 1HB ARG 9 2HB ARG 9 8.617 1.970 9.117 77 2HB ARG 9 1HB ARG 9 9.214 3.289 10.115 78 1HG ARG 9 2HG ARG 9 7.068 4.470 9.877 79 2HG ARG 9 1HG ARG 9 6.464 3.162 8.860 80 1HD ARG 9 2HD ARG 9 5.672 2.883 11.190 81 2HD ARG 9 1HD ARG 9 6.789 1.572 10.764 82 HE ARG 9 HE ARG 9 8.335 3.721 11.795 83 1HH1 ARG 9 1HH1 ARG 9 5.529 2.318 13.066 84 2HH1 ARG 9 2HH1 ARG 9 6.245 1.870 14.580 85 1HH2 ARG 9 1HH2 ARG 9 9.455 2.769 13.634 86 2HH2 ARG 9 2HH2 ARG 9 8.465 2.124 14.900 87 H SER 10 H SER 10 10.736 5.215 9.249 88 HA SER 10 HA SER 10 9.107 7.613 9.553 89 1HB SER 10 2HB SER 10 11.161 8.432 10.673 90 2HB SER 10 1HB SER 10 10.715 6.829 11.251 91 HG SER 10 HG SER 10 12.626 6.250 10.623 92 H ALA 11 H ALA 11 11.284 6.364 7.168 93 HA ALA 11 HA ALA 11 11.907 9.033 6.079 94 1HB ALA 11 1HB ALA 11 13.327 7.687 4.546 95 2HB ALA 11 2HB ALA 11 12.656 6.215 5.247 96 3HB ALA 11 3HB ALA 11 13.640 7.293 6.236 97 H ILE 12 H ILE 12 10.037 6.132 5.263 98 HA ILE 12 HA ILE 12 9.267 7.033 2.629 99 HB ILE 12 HB ILE 12 9.331 4.661 3.390 100 1HG1 ILE 12 2HG1 ILE 12 7.166 3.995 2.399 101 2HG1 ILE 12 1HG1 ILE 12 6.575 5.648 2.579 102 1HG2 ILE 12 1HG2 ILE 12 6.841 5.366 4.970 103 2HG2 ILE 12 2HG2 ILE 12 8.435 5.182 5.701 104 3HG2 ILE 12 3HG2 ILE 12 7.662 3.806 4.913 105 1HD1 ILE 12 1HD1 ILE 12 7.598 6.283 0.677 106 2HD1 ILE 12 2HD1 ILE 12 8.004 4.590 0.393 107 3HD1 ILE 12 3HD1 ILE 12 9.140 5.640 1.240 108 H ARG 13 H ARG 13 7.700 7.100 5.832 109 HA ARG 13 HA ARG 13 5.229 8.258 4.944 110 1HB ARG 13 2HB ARG 13 6.683 8.332 7.603 111 2HB ARG 13 1HB ARG 13 4.979 8.696 7.381 112 1HG ARG 13 2HG ARG 13 6.304 6.046 6.716 113 2HG ARG 13 1HG ARG 13 5.353 6.356 8.163 114 1HD ARG 13 2HD ARG 13 4.154 6.784 5.418 115 2HD ARG 13 1HD ARG 13 4.169 5.183 6.167 116 HE ARG 13 HE ARG 13 2.468 5.941 7.603 117 1HH1 ARG 13 1HH1 ARG 13 2.689 8.429 5.564 118 2HH1 ARG 13 2HH1 ARG 13 2.436 9.698 6.716 119 1HH2 ARG 13 1HH2 ARG 13 2.854 7.640 9.473 120 2HH2 ARG 13 2HH2 ARG 13 2.541 9.254 8.927 121 H ARG 14 H ARG 14 8.245 9.660 6.228 122 HA ARG 14 HA ARG 14 7.446 12.356 6.369 123 1HB ARG 14 2HB ARG 14 9.553 11.265 7.201 124 2HB ARG 14 1HB ARG 14 10.120 11.193 5.531 125 1HG ARG 14 2HG ARG 14 9.951 13.628 5.348 126 2HG ARG 14 1HG ARG 14 9.321 13.701 6.991 127 1HD ARG 14 2HD ARG 14 12.056 12.598 6.268 128 2HD ARG 14 1HD ARG 14 11.767 14.230 6.904 129 HE ARG 14 HE ARG 14 11.769 11.835 8.484 130 1HH1 ARG 14 1HH2 ARG 14 11.338 15.095 8.708 131 2HH1 ARG 14 2HH2 ARG 14 10.170 15.063 9.987 132 1HH2 ARG 14 1HH1 ARG 14 9.697 11.634 9.829 133 2HH2 ARG 14 2HH1 ARG 14 9.245 13.105 10.623 134 H ALA 15 H ALA 15 8.321 10.358 3.601 135 HA ALA 15 HA ALA 15 8.321 12.703 1.805 136 1HB ALA 15 1HB ALA 15 8.744 9.905 0.870 137 2HB ALA 15 2HB ALA 15 9.951 10.585 1.961 138 3HB ALA 15 3HB ALA 15 9.609 11.376 0.423 139 H SER 16 H SER 16 6.511 9.706 2.419 140 HA SER 16 HA SER 16 4.788 9.968 0.106 141 1HB SER 16 2HB SER 16 3.665 8.076 1.121 142 2HB SER 16 1HB SER 16 5.395 7.897 1.395 143 HG SER 16 HG SER 16 3.992 7.590 3.272 144 H THR 17 H THR 17 4.953 11.771 2.905 145 HA THR 17 HA THR 17 2.063 12.460 2.744 146 HB THR 17 HB THR 17 3.946 12.446 5.120 147 HG1 THR 17 1HG THR 17 3.339 10.452 5.170 148 1HG2 THR 17 1HG2 THR 17 2.489 13.899 6.033 149 2HG2 THR 17 2HG2 THR 17 1.280 12.614 5.971 150 3HG2 THR 17 3HG2 THR 17 1.408 13.770 4.645 151 H ILE 18 H ILE 18 5.081 13.565 1.983 152 HA ILE 18 HA ILE 18 4.380 16.390 2.575 153 HB ILE 18 HB ILE 18 6.464 15.358 3.601 154 1HG1 ILE 18 2HG1 ILE 18 6.252 17.812 3.251 155 2HG1 ILE 18 1HG1 ILE 18 7.917 17.261 3.104 156 1HG2 ILE 18 1HG2 ILE 18 7.753 15.569 0.908 157 2HG2 ILE 18 2HG2 ILE 18 6.864 14.102 1.313 158 3HG2 ILE 18 3HG2 ILE 18 8.232 14.608 2.303 159 1HD1 ILE 18 1HD1 ILE 18 7.089 17.043 0.515 160 2HD1 ILE 18 2HD1 ILE 18 7.882 18.469 1.176 161 3HD1 ILE 18 3HD1 ILE 18 6.124 18.417 1.056 162 H GLU 19 H GLU 19 5.289 14.026 0.128 163 HA GLU 19 HA GLU 19 5.267 16.094 -1.983 164 1HB GLU 19 2HB GLU 19 5.955 13.169 -1.990 165 2HB GLU 19 1HB GLU 19 6.167 14.249 -3.359 166 1HG GLU 19 2HG GLU 19 7.704 15.641 -1.997 167 2HG GLU 19 1HG GLU 19 7.520 14.506 -0.662 168 H MET 20 H MET 20 3.419 13.418 -0.716 169 HA MET 20 HA MET 20 1.285 13.962 -2.743 170 1HB MET 20 2HB MET 20 2.720 12.019 -3.392 171 2HB MET 20 1HB MET 20 2.318 11.247 -1.860 172 1HG MET 20 2HG MET 20 -0.092 11.343 -2.484 173 2HG MET 20 1HG MET 20 0.367 12.015 -4.047 174 1HE MET 20 1HE MET 20 2.333 11.215 -5.150 175 2HE MET 20 2HE MET 20 2.052 9.705 -6.014 176 3HE MET 20 3HE MET 20 3.229 9.756 -4.705 177 HA PRO 21 HA PRO 21 -0.219 13.433 1.648 178 1HB PRO 21 2HB PRO 21 -0.979 16.007 2.151 179 2HB PRO 21 1HB PRO 21 0.656 15.408 2.467 180 1HG PRO 21 2HG PRO 21 -0.320 17.140 0.312 181 2HG PRO 21 1HG PRO 21 1.279 17.053 1.053 182 1HD PRO 21 2HD PRO 21 0.535 15.962 -1.425 183 2HD PRO 21 1HD PRO 21 2.028 15.624 -0.525 184 H GLN 22 H GLN 22 -1.727 15.993 -0.374 185 HA GLN 22 HA GLN 22 -4.408 15.408 0.276 186 1HB GLN 22 2HB GLN 22 -3.180 16.494 -2.245 187 2HB GLN 22 1HB GLN 22 -4.879 16.648 -1.824 188 1HG GLN 22 2HG GLN 22 -4.240 17.857 0.243 189 2HG GLN 22 1HG GLN 22 -2.545 17.734 -0.219 190 1HE2 GLN 22 1HE2 GLN 22 -4.222 18.167 -3.118 191 2HE2 GLN 22 2HE2 GLN 22 -4.124 19.855 -3.215 192 H GLN 23 H GLN 23 -2.369 14.036 -2.292 193 HA GLN 23 HA GLN 23 -4.509 12.484 -3.467 194 1HB GLN 23 2HB GLN 23 -2.538 13.292 -4.690 195 2HB GLN 23 1HB GLN 23 -1.517 12.295 -3.667 196 1HG GLN 23 2HG GLN 23 -2.646 10.266 -4.477 197 2HG GLN 23 1HG GLN 23 -3.697 11.256 -5.490 198 1HE2 GLN 23 1HE2 GLN 23 -2.986 11.347 -7.621 199 2HE2 GLN 23 2HE2 GLN 23 -1.364 11.272 -8.113 200 H ALA 24 H ALA 24 -1.717 11.664 -1.365 201 HA ALA 24 HA ALA 24 -2.156 8.888 -1.119 202 1HB ALA 24 1HB ALA 24 -1.113 9.282 1.185 203 2HB ALA 24 2HB ALA 24 -1.192 11.006 0.822 204 3HB ALA 24 3HB ALA 24 -0.208 9.937 -0.178 205 H ARG 25 H ARG 25 -3.653 11.586 0.660 206 HA ARG 25 HA ARG 25 -5.189 10.124 2.526 207 1HB ARG 25 2HB ARG 25 -4.892 12.555 2.513 208 2HB ARG 25 1HB ARG 25 -5.795 12.653 1.009 209 1HG ARG 25 2HG ARG 25 -7.792 11.740 2.129 210 2HG ARG 25 1HG ARG 25 -6.891 11.639 3.643 211 1HD ARG 25 2HD ARG 25 -6.574 14.084 3.642 212 2HD ARG 25 1HD ARG 25 -7.449 14.201 2.102 213 HE ARG 25 HE ARG 25 -8.697 13.922 4.669 214 1HH1 ARG 25 1HH1 ARG 25 -9.838 14.639 1.849 215 2HH1 ARG 25 2HH1 ARG 25 -11.060 13.418 1.709 216 1HH2 ARG 25 1HH2 ARG 25 -9.822 11.502 4.321 217 2HH2 ARG 25 2HH2 ARG 25 -11.050 11.643 3.107 218 H GLN 26 H GLN 26 -5.773 10.856 -0.874 219 HA GLN 26 HA GLN 26 -8.449 9.731 -0.920 220 1HB GLN 26 2HB GLN 26 -6.488 10.475 -3.077 221 2HB GLN 26 1HB GLN 26 -8.204 10.173 -3.334 222 1HG GLN 26 2HG GLN 26 -7.028 12.343 -1.575 223 2HG GLN 26 1HG GLN 26 -7.761 12.592 -3.159 224 1HE2 GLN 26 1HE2 GLN 26 -8.466 12.773 0.100 225 2HE2 GLN 26 2HE2 GLN 26 -10.147 12.552 0.030 226 H ASN 27 H ASN 27 -5.295 8.763 -2.264 227 HA ASN 27 HA ASN 27 -6.073 6.233 -3.286 228 1HB ASN 27 2HB ASN 27 -3.458 7.216 -2.174 229 2HB ASN 27 1HB ASN 27 -3.635 5.815 -3.223 230 1HD2 ASN 27 1HD2 ASN 27 -3.166 6.317 -5.358 231 2HD2 ASN 27 2HD2 ASN 27 -3.463 7.814 -6.103 232 H LEU 28 H LEU 28 -5.276 7.259 -0.027 233 HA LEU 28 HA LEU 28 -4.599 4.826 1.208 234 1HB LEU 28 2HB LEU 28 -4.603 7.157 2.146 235 2HB LEU 28 1HB LEU 28 -6.347 7.028 2.283 236 HG LEU 28 HG LEU 28 -5.103 6.519 4.415 237 1HD1 LEU 28 1HD2 LEU 28 -7.368 5.357 3.416 238 2HD1 LEU 28 2HD2 LEU 28 -6.762 5.114 5.054 239 3HD1 LEU 28 3HD2 LEU 28 -6.387 3.941 3.792 240 1HD2 LEU 28 1HD1 LEU 28 -3.206 5.357 3.241 241 2HD2 LEU 28 2HD1 LEU 28 -4.288 3.994 2.957 242 3HD2 LEU 28 3HD1 LEU 28 -3.866 4.458 4.606 243 H GLN 29 H GLN 29 -7.764 6.044 0.221 244 HA GLN 29 HA GLN 29 -9.435 4.242 1.614 245 1HB GLN 29 2HB GLN 29 -9.667 5.497 -1.109 246 2HB GLN 29 1HB GLN 29 -11.015 4.778 -0.240 247 1HG GLN 29 2HG GLN 29 -9.314 7.054 0.810 248 2HG GLN 29 1HG GLN 29 -10.881 7.261 0.037 249 1HE2 GLN 29 1HE2 GLN 29 -11.341 4.408 1.643 250 2HE2 GLN 29 2HE2 GLN 29 -11.870 5.001 3.135 251 H ASN 30 H ASN 30 -7.860 3.889 -1.567 252 HA ASN 30 HA ASN 30 -8.968 1.322 -2.177 253 1HB ASN 30 2HB ASN 30 -8.007 2.873 -3.810 254 2HB ASN 30 1HB ASN 30 -6.435 2.685 -3.050 255 1HD2 ASN 30 1HD2 ASN 30 -5.123 1.237 -4.162 256 2HD2 ASN 30 2HD2 ASN 30 -5.678 -0.128 -5.008 257 H LEU 31 H LEU 31 -5.841 2.277 -0.738 258 HA LEU 31 HA LEU 31 -4.631 -0.244 -0.521 259 1HB LEU 31 2HB LEU 31 -3.606 1.932 0.011 260 2HB LEU 31 1HB LEU 31 -4.632 2.043 1.433 261 HG LEU 31 HG LEU 31 -3.624 -0.010 2.344 262 1HD1 LEU 31 1HD2 LEU 31 -2.083 0.113 -0.255 263 2HD1 LEU 31 2HD2 LEU 31 -3.040 -1.227 0.377 264 3HD1 LEU 31 3HD2 LEU 31 -1.506 -0.805 1.135 265 1HD2 LEU 31 1HD1 LEU 31 -1.304 1.712 1.529 266 2HD2 LEU 31 2HD1 LEU 31 -1.674 1.015 3.106 267 3HD2 LEU 31 3HD1 LEU 31 -2.585 2.407 2.521 268 H PHE 32 H PHE 32 -7.193 1.171 1.440 269 HA PHE 32 HA PHE 32 -7.122 -0.826 3.521 270 1HB PHE 32 2HB PHE 32 -7.994 1.493 3.746 271 2HB PHE 32 1HB PHE 32 -9.286 1.099 2.620 272 HD1 PHE 32 1HD PHE 32 -10.500 2.051 4.809 273 HD2 PHE 32 2HD PHE 32 -8.640 -1.817 4.530 274 HE1 PHE 32 1HE PHE 32 -11.884 1.242 6.701 275 HE2 PHE 32 2HE PHE 32 -10.029 -2.619 6.415 276 HZ PHE 32 HZ PHE 32 -11.649 -1.092 7.501 277 H ILE 33 H ILE 33 -9.645 -0.134 1.079 278 HA ILE 33 HA ILE 33 -11.106 -2.528 1.340 279 HB ILE 33 HB ILE 33 -11.770 -0.495 0.084 280 1HG1 ILE 33 2HG1 ILE 33 -12.767 -1.650 -1.866 281 2HG1 ILE 33 1HG1 ILE 33 -11.672 -3.009 -1.616 282 1HG2 ILE 33 1HG2 ILE 33 -10.829 -0.075 -2.140 283 2HG2 ILE 33 2HG2 ILE 33 -9.752 -1.461 -1.965 284 3HG2 ILE 33 3HG2 ILE 33 -9.551 -0.050 -0.927 285 1HD1 ILE 33 1HD1 ILE 33 -13.166 -2.222 0.796 286 2HD1 ILE 33 2HD1 ILE 33 -12.891 -3.826 0.119 287 3HD1 ILE 33 3HD1 ILE 33 -14.184 -2.811 -0.518 288 H ASN 34 H ASN 34 -8.180 -1.863 -0.554 289 HA ASN 34 HA ASN 34 -8.153 -4.348 -2.007 290 1HB ASN 34 2HB ASN 34 -6.958 -2.292 -2.666 291 2HB ASN 34 1HB ASN 34 -5.955 -2.411 -1.220 292 1HD2 ASN 34 1HD2 ASN 34 -3.950 -3.304 -1.675 293 2HD2 ASN 34 2HD2 ASN 34 -3.650 -4.491 -2.850 294 H PHE 35 H PHE 35 -6.290 -3.237 0.847 295 HA PHE 35 HA PHE 35 -4.966 -5.701 1.362 296 1HB PHE 35 2HB PHE 35 -4.342 -3.501 2.279 297 2HB PHE 35 1HB PHE 35 -5.833 -3.467 3.221 298 HD1 PHE 35 1HD PHE 35 -3.060 -5.918 2.562 299 HD2 PHE 35 2HD PHE 35 -5.590 -4.018 5.466 300 HE1 PHE 35 1HE PHE 35 -1.947 -7.200 4.370 301 HE2 PHE 35 2HE PHE 35 -4.477 -5.299 7.275 302 HZ PHE 35 HZ PHE 35 -2.655 -6.891 6.727 303 H CYS 36 H CYS 36 -8.164 -4.532 2.290 304 HA CYS 36 HA CYS 36 -8.728 -6.500 4.296 305 1HB CYS 36 2HB CYS 36 -9.936 -4.378 3.998 306 2HB CYS 36 1HB CYS 36 -10.515 -4.919 2.423 307 HG CYS 36 HG CYS 36 -11.343 -6.959 4.443 308 H LEU 37 H LEU 37 -9.521 -6.378 0.805 309 HA LEU 37 HA LEU 37 -10.834 -8.945 0.795 310 1HB LEU 37 2HB LEU 37 -9.684 -7.207 -1.388 311 2HB LEU 37 1HB LEU 37 -10.768 -8.574 -1.652 312 HG LEU 37 HG LEU 37 -11.394 -6.076 -0.050 313 1HD1 LEU 37 1HD2 LEU 37 -12.441 -7.182 -2.664 314 2HD1 LEU 37 2HD2 LEU 37 -11.465 -5.727 -2.461 315 3HD1 LEU 37 3HD2 LEU 37 -13.111 -5.780 -1.830 316 1HD2 LEU 37 1HD1 LEU 37 -12.714 -8.742 -0.284 317 2HD2 LEU 37 2HD1 LEU 37 -13.761 -7.323 -0.306 318 3HD2 LEU 37 3HD1 LEU 37 -12.698 -7.613 1.070 319 H ILE 38 H ILE 38 -7.612 -7.869 -0.370 320 HA ILE 38 HA ILE 38 -6.721 -10.387 -1.338 321 HB ILE 38 HB ILE 38 -5.657 -8.177 -1.723 322 1HG1 ILE 38 2HG1 ILE 38 -3.315 -8.918 -1.460 323 2HG1 ILE 38 1HG1 ILE 38 -3.841 -10.186 -0.351 324 1HG2 ILE 38 1HG2 ILE 38 -6.005 -7.570 0.786 325 2HG2 ILE 38 2HG2 ILE 38 -4.555 -6.985 -0.029 326 3HG2 ILE 38 3HG2 ILE 38 -4.464 -8.390 1.032 327 1HD1 ILE 38 1HD1 ILE 38 -5.325 -10.192 -2.876 328 2HD1 ILE 38 2HD1 ILE 38 -4.530 -11.524 -2.040 329 3HD1 ILE 38 3HD1 ILE 38 -3.596 -10.463 -3.094 330 H LEU 39 H LEU 39 -6.965 -9.156 1.943 331 HA LEU 39 HA LEU 39 -5.177 -11.012 3.196 332 1HB LEU 39 2HB LEU 39 -5.837 -8.918 4.212 333 2HB LEU 39 1HB LEU 39 -7.543 -9.355 4.112 334 HG LEU 39 HG LEU 39 -7.153 -11.233 5.627 335 1HD1 LEU 39 1HD1 LEU 39 -4.979 -11.976 5.476 336 2HD1 LEU 39 2HD1 LEU 39 -4.793 -10.921 6.877 337 3HD1 LEU 39 3HD1 LEU 39 -4.331 -10.348 5.276 338 1HD2 LEU 39 1HD2 LEU 39 -6.779 -9.918 7.673 339 2HD2 LEU 39 2HD2 LEU 39 -7.784 -9.014 6.540 340 3HD2 LEU 39 3HD2 LEU 39 -6.075 -8.615 6.715 341 H ILE 40 H ILE 40 -8.388 -11.329 1.928 342 HA ILE 40 HA ILE 40 -8.681 -13.940 3.327 343 HB ILE 40 HB ILE 40 -11.114 -13.519 3.178 344 1HG1 ILE 40 2HG1 ILE 40 -10.256 -10.872 1.964 345 2HG1 ILE 40 1HG1 ILE 40 -11.050 -12.182 1.091 346 1HG2 ILE 40 1HG2 ILE 40 -9.737 -11.066 4.287 347 2HG2 ILE 40 2HG2 ILE 40 -9.661 -12.636 5.084 348 3HG2 ILE 40 3HG2 ILE 40 -11.216 -11.832 4.867 349 1HD1 ILE 40 1HD1 ILE 40 -12.377 -10.115 2.290 350 2HD1 ILE 40 2HD1 ILE 40 -12.421 -11.333 3.566 351 3HD1 ILE 40 3HD1 ILE 40 -13.091 -11.698 1.976 352 H PHE 41 H PHE 41 -8.679 -12.254 0.280 353 HA PHE 41 HA PHE 41 -10.086 -14.119 -1.342 354 1HB PHE 41 2HB PHE 41 -9.407 -11.802 -1.942 355 2HB PHE 41 1HB PHE 41 -7.726 -12.330 -1.998 356 HD1 PHE 41 1HD PHE 41 -11.026 -13.572 -3.291 357 HD2 PHE 41 2HD PHE 41 -6.902 -12.730 -4.134 358 HE1 PHE 41 1HE PHE 41 -11.351 -14.330 -5.629 359 HE2 PHE 41 2HE PHE 41 -7.226 -13.489 -6.472 360 HZ PHE 41 HZ PHE 41 -9.451 -14.290 -7.220 361 H LEU 42 H LEU 42 -6.822 -14.165 -0.037 362 HA LEU 42 HA LEU 42 -5.563 -15.991 -1.789 363 1HB LEU 42 2HB LEU 42 -5.344 -15.644 1.218 364 2HB LEU 42 1HB LEU 42 -4.153 -16.472 0.215 365 HG LEU 42 HG LEU 42 -4.985 -13.570 -0.074 366 1HD1 LEU 42 1HD2 LEU 42 -2.615 -14.961 1.165 367 2HD1 LEU 42 2HD2 LEU 42 -3.609 -13.668 1.837 368 3HD1 LEU 42 3HD2 LEU 42 -2.469 -13.318 0.537 369 1HD2 LEU 42 1HD1 LEU 42 -4.230 -13.872 -2.188 370 2HD2 LEU 42 2HD1 LEU 42 -3.549 -15.453 -1.805 371 3HD2 LEU 42 3HD1 LEU 42 -2.626 -13.988 -1.463 372 H LEU 43 H LEU 43 -7.910 -16.580 0.786 373 HA LEU 43 HA LEU 43 -7.593 -19.500 0.545 374 1HB LEU 43 2HB LEU 43 -7.916 -18.210 2.713 375 2HB LEU 43 1HB LEU 43 -9.549 -17.841 2.167 376 HG LEU 43 HG LEU 43 -9.448 -19.810 3.704 377 1HD1 LEU 43 1HD2 LEU 43 -11.011 -19.491 1.526 378 2HD1 LEU 43 2HD2 LEU 43 -11.149 -20.875 2.610 379 3HD1 LEU 43 3HD2 LEU 43 -10.233 -21.018 1.109 380 1HD2 LEU 43 1HD1 LEU 43 -8.074 -21.579 3.354 381 2HD2 LEU 43 2HD1 LEU 43 -7.183 -20.468 2.313 382 3HD2 LEU 43 3HD1 LEU 43 -8.360 -21.579 1.612 383 H LEU 44 H LEU 44 -9.880 -16.914 -0.242 384 HA LEU 44 HA LEU 44 -12.117 -18.393 -1.071 385 1HB LEU 44 2HB LEU 44 -11.680 -15.867 -0.834 386 2HB LEU 44 1HB LEU 44 -10.974 -15.947 -2.448 387 HG LEU 44 HG LEU 44 -13.764 -16.878 -1.765 388 1HD1 LEU 44 1HD1 LEU 44 -13.263 -14.355 -1.559 389 2HD1 LEU 44 2HD1 LEU 44 -14.597 -14.823 -2.614 390 3HD1 LEU 44 3HD1 LEU 44 -13.036 -14.386 -3.308 391 1HD2 LEU 44 1HD2 LEU 44 -12.075 -16.843 -4.215 392 2HD2 LEU 44 2HD2 LEU 44 -13.769 -16.400 -4.422 393 3HD2 LEU 44 3HD2 LEU 44 -13.345 -17.972 -3.743 394 H ILE 45 H ILE 45 -9.102 -17.653 -2.830 395 HA ILE 45 HA ILE 45 -9.969 -18.814 -5.330 396 HB ILE 45 HB ILE 45 -7.601 -18.519 -5.923 397 1HG1 ILE 45 2HG1 ILE 45 -7.213 -17.939 -2.968 398 2HG1 ILE 45 1HG1 ILE 45 -6.655 -19.392 -3.796 399 1HG2 ILE 45 1HG2 ILE 45 -8.808 -16.482 -6.022 400 2HG2 ILE 45 2HG2 ILE 45 -7.365 -16.090 -5.088 401 3HG2 ILE 45 3HG2 ILE 45 -8.902 -16.356 -4.267 402 1HD1 ILE 45 1HD1 ILE 45 -5.659 -16.571 -4.040 403 2HD1 ILE 45 2HD1 ILE 45 -5.497 -17.664 -5.415 404 3HD1 ILE 45 3HD1 ILE 45 -4.738 -18.068 -3.874 405 H CYS 46 H CYS 46 -8.460 -20.073 -2.416 406 HA CYS 46 HA CYS 46 -7.342 -22.474 -3.397 407 1HB CYS 46 2HB CYS 46 -8.693 -21.818 -0.794 408 2HB CYS 46 1HB CYS 46 -7.673 -23.224 -1.043 409 HG CYS 46 HG CYS 46 -5.622 -21.733 -1.213 410 H ILE 47 H ILE 47 -10.681 -21.568 -3.070 411 HA ILE 47 HA ILE 47 -11.748 -24.257 -2.925 412 HB ILE 47 HB ILE 47 -12.857 -21.501 -3.514 413 1HG1 ILE 47 2HG1 ILE 47 -14.004 -21.890 -1.320 414 2HG1 ILE 47 1HG1 ILE 47 -13.134 -23.414 -1.171 415 1HG2 ILE 47 1HG2 ILE 47 -14.600 -22.525 -4.515 416 2HG2 ILE 47 2HG2 ILE 47 -15.028 -23.102 -2.905 417 3HG2 ILE 47 3HG2 ILE 47 -14.075 -24.121 -3.983 418 1HD1 ILE 47 1HD1 ILE 47 -11.672 -20.809 -1.593 419 2HD1 ILE 47 2HD1 ILE 47 -11.043 -22.331 -0.958 420 3HD1 ILE 47 3HD1 ILE 47 -12.138 -21.351 0.018 421 H ILE 48 H ILE 48 -11.789 -21.787 -5.533 422 HA ILE 48 HA ILE 48 -12.735 -23.525 -7.578 423 HB ILE 48 HB ILE 48 -12.670 -21.013 -7.550 424 1HG1 ILE 48 2HG1 ILE 48 -12.977 -22.300 -9.682 425 2HG1 ILE 48 1HG1 ILE 48 -12.227 -20.725 -9.919 426 1HG2 ILE 48 1HG2 ILE 48 -10.500 -19.965 -8.312 427 2HG2 ILE 48 2HG2 ILE 48 -9.718 -21.510 -7.983 428 3HG2 ILE 48 3HG2 ILE 48 -10.477 -20.608 -6.670 429 1HD1 ILE 48 1HD1 ILE 48 -10.691 -21.887 -11.123 430 2HD1 ILE 48 2HD1 ILE 48 -11.126 -23.423 -10.376 431 3HD1 ILE 48 3HD1 ILE 48 -10.024 -22.322 -9.552 432 H VAL 49 H VAL 49 -9.507 -22.910 -6.294 433 HA VAL 49 HA VAL 49 -8.080 -24.318 -8.400 434 HB VAL 49 HB VAL 49 -7.379 -23.609 -5.528 435 1HG1 VAL 49 1HG1 VAL 49 -6.010 -25.224 -7.433 436 2HG1 VAL 49 2HG1 VAL 49 -5.420 -24.662 -5.869 437 3HG1 VAL 49 3HG1 VAL 49 -5.136 -23.697 -7.316 438 1HG2 VAL 49 1HG2 VAL 49 -8.001 -21.715 -7.105 439 2HG2 VAL 49 2HG2 VAL 49 -6.617 -22.186 -8.092 440 3HG2 VAL 49 3HG2 VAL 49 -6.371 -21.624 -6.438 441 H MET 50 H MET 50 -9.567 -25.185 -5.319 442 HA MET 50 HA MET 50 -8.429 -27.730 -4.896 443 1HB MET 50 2HB MET 50 -9.816 -26.365 -3.353 444 2HB MET 50 1HB MET 50 -11.214 -26.732 -4.355 445 1HG MET 50 2HG MET 50 -10.941 -29.115 -3.937 446 2HG MET 50 1HG MET 50 -9.476 -28.779 -3.017 447 1HE MET 50 1HE MET 50 -13.058 -27.977 -3.557 448 2HE MET 50 2HE MET 50 -12.755 -26.413 -2.802 449 3HE MET 50 3HE MET 50 -13.766 -27.600 -1.980 450 H LEU 51 H LEU 51 -10.728 -26.657 -7.273 451 HA LEU 51 HA LEU 51 -11.653 -29.422 -7.839 452 1HB LEU 51 2HB LEU 51 -12.341 -26.712 -9.020 453 2HB LEU 51 1HB LEU 51 -13.186 -28.220 -9.372 454 HG LEU 51 HG LEU 51 -12.937 -26.943 -6.632 455 1HD1 LEU 51 1HD2 LEU 51 -15.605 -27.104 -7.237 456 2HD1 LEU 51 2HD2 LEU 51 -14.910 -26.745 -8.817 457 3HD1 LEU 51 3HD2 LEU 51 -14.622 -25.658 -7.460 458 1HD2 LEU 51 1HD1 LEU 51 -14.877 -28.778 -6.364 459 2HD2 LEU 51 2HD1 LEU 51 -13.180 -29.169 -6.088 460 3HD2 LEU 51 3HD1 LEU 51 -13.936 -29.572 -7.629 461 H LEU 52 H LEU 52 -8.869 -27.961 -8.532 462 HA LEU 52 HA LEU 52 -8.860 -28.752 -11.425 463 1HB LEU 52 2HB LEU 52 -7.086 -26.881 -9.820 464 2HB LEU 52 1HB LEU 52 -6.927 -27.192 -11.547 465 HG LEU 52 HG LEU 52 -9.363 -26.005 -10.184 466 1HD1 LEU 52 1HD1 LEU 52 -7.192 -24.822 -11.939 467 2HD1 LEU 52 2HD1 LEU 52 -7.580 -24.378 -10.278 468 3HD1 LEU 52 3HD1 LEU 52 -8.710 -23.998 -11.577 469 1HD2 LEU 52 1HD2 LEU 52 -9.623 -25.555 -12.871 470 2HD2 LEU 52 2HD2 LEU 52 -10.393 -26.890 -12.012 471 3HD2 LEU 52 3HD2 LEU 52 -8.869 -27.150 -12.862 Start of MODEL 4 1 1H MET 1 1HT MET 1 7.242 -9.727 7.278 2 2H MET 1 2HT MET 1 5.993 -9.316 6.203 3 H MET 1 H MET 1 6.400 -9.414 8.013 4 3H MET 1 3HT MET 1 5.814 -9.033 7.869 5 HA MET 1 HA MET 1 7.968 -7.745 6.303 6 1HB MET 1 2HB MET 1 6.352 -5.839 6.117 7 2HB MET 1 1HB MET 1 5.852 -7.262 5.225 8 1HG MET 1 2HG MET 1 4.383 -7.931 7.079 9 2HG MET 1 1HG MET 1 4.882 -6.497 7.962 10 1HE MET 1 1HE MET 1 1.300 -6.740 6.810 11 2HE MET 1 2HE MET 1 1.746 -5.269 7.672 12 3HE MET 1 3HE MET 1 2.473 -6.805 8.134 13 H ASP 2 H ASP 2 9.146 -6.459 7.588 14 HA ASP 2 HA ASP 2 8.113 -5.598 10.243 15 1HB ASP 2 2HB ASP 2 9.162 -7.808 10.550 16 2HB ASP 2 1HB ASP 2 10.630 -7.230 9.764 17 H LYS 3 H LYS 3 10.888 -5.587 7.996 18 HA LYS 3 HA LYS 3 11.553 -2.816 8.915 19 1HB LYS 3 2HB LYS 3 13.777 -3.332 7.987 20 2HB LYS 3 1HB LYS 3 13.281 -4.586 9.121 21 1HG LYS 3 2HG LYS 3 12.563 -6.016 7.252 22 2HG LYS 3 1HG LYS 3 13.012 -4.755 6.104 23 1HD LYS 3 2HD LYS 3 15.350 -4.893 6.850 24 2HD LYS 3 1HD LYS 3 14.910 -6.131 8.027 25 1HE LYS 3 2HE LYS 3 14.165 -7.620 6.194 26 2HE LYS 3 1HE LYS 3 14.627 -6.381 5.010 27 1HZ LYS 3 1HZ LYS 3 16.856 -6.529 5.595 28 2HZ LYS 3 2HZ LYS 3 16.359 -8.154 5.624 29 3HZ LYS 3 3HZ LYS 3 16.532 -7.288 7.076 30 H VAL 4 H VAL 4 10.439 -4.701 6.213 31 HA VAL 4 HA VAL 4 11.163 -2.870 4.100 32 HB VAL 4 HB VAL 4 10.590 -5.252 3.788 33 1HG1 VAL 4 1HG1 VAL 4 7.685 -4.789 4.086 34 2HG1 VAL 4 2HG1 VAL 4 8.594 -4.778 5.597 35 3HG1 VAL 4 3HG1 VAL 4 8.655 -6.191 4.543 36 1HG2 VAL 4 1HG2 VAL 4 9.752 -4.844 1.718 37 2HG2 VAL 4 2HG2 VAL 4 9.811 -3.145 2.187 38 3HG2 VAL 4 3HG2 VAL 4 8.312 -4.056 2.363 39 H GLN 5 H GLN 5 8.532 -3.004 6.414 40 HA GLN 5 HA GLN 5 6.805 -1.172 4.969 41 1HB GLN 5 2HB GLN 5 5.455 -1.323 7.010 42 2HB GLN 5 1HB GLN 5 6.025 -2.924 6.547 43 1HG GLN 5 2HG GLN 5 7.895 -2.700 8.181 44 2HG GLN 5 1HG GLN 5 7.239 -1.141 8.678 45 1HE2 GLN 5 1HE2 GLN 5 5.953 -1.294 10.509 46 2HE2 GLN 5 2HE2 GLN 5 5.015 -2.643 10.935 47 H TYR 6 H TYR 6 9.032 -0.860 7.759 48 HA TYR 6 HA TYR 6 8.462 1.915 8.245 49 1HB TYR 6 2HB TYR 6 10.865 0.167 8.849 50 2HB TYR 6 1HB TYR 6 10.604 1.765 9.543 51 HD1 TYR 6 1HD TYR 6 7.942 1.995 10.354 52 HD2 TYR 6 2HD TYR 6 10.352 -1.560 10.310 53 HE1 TYR 6 1HE TYR 6 6.514 1.005 12.123 54 HE2 TYR 6 2HE TYR 6 8.921 -2.554 12.076 55 HH TYR 6 HH TYR 6 5.924 -1.395 12.881 56 H LEU 7 H LEU 7 11.039 0.279 6.385 57 HA LEU 7 HA LEU 7 12.505 2.582 5.626 58 1HB LEU 7 2HB LEU 7 13.126 0.161 5.406 59 2HB LEU 7 1HB LEU 7 11.995 0.055 4.071 60 HG LEU 7 HG LEU 7 14.388 0.385 3.366 61 1HD1 LEU 7 1HD2 LEU 7 12.241 1.202 2.104 62 2HD1 LEU 7 2HD2 LEU 7 13.830 1.730 1.550 63 3HD1 LEU 7 3HD2 LEU 7 12.832 2.809 2.527 64 1HD2 LEU 7 1HD1 LEU 7 15.536 2.389 3.803 65 2HD2 LEU 7 2HD1 LEU 7 14.771 2.009 5.345 66 3HD2 LEU 7 3HD1 LEU 7 14.066 3.232 4.289 67 H THR 8 H THR 8 9.878 0.897 3.892 68 HA THR 8 HA THR 8 9.724 2.730 1.699 69 HB THR 8 HB THR 8 7.642 0.928 2.962 70 HG1 THR 8 1HG THR 8 9.471 0.463 0.846 71 1HG2 THR 8 1HG2 THR 8 7.118 0.918 0.306 72 2HG2 THR 8 2HG2 THR 8 7.726 2.563 0.491 73 3HG2 THR 8 3HG2 THR 8 6.340 2.024 1.439 74 H ARG 9 H ARG 9 8.037 2.602 4.836 75 HA ARG 9 HA ARG 9 6.101 4.598 4.432 76 1HB ARG 9 2HB ARG 9 6.275 3.136 6.389 77 2HB ARG 9 1HB ARG 9 7.768 3.931 6.846 78 1HG ARG 9 2HG ARG 9 6.003 4.857 8.212 79 2HG ARG 9 1HG ARG 9 6.487 6.089 7.051 80 1HD ARG 9 2HD ARG 9 4.177 4.214 6.481 81 2HD ARG 9 1HD ARG 9 3.951 5.736 7.362 82 HE ARG 9 HE ARG 9 5.477 6.347 5.067 83 1HH1 ARG 9 1HH1 ARG 9 2.314 6.049 6.236 84 2HH1 ARG 9 2HH1 ARG 9 1.553 6.293 4.699 85 1HH2 ARG 9 1HH2 ARG 9 4.529 6.266 2.919 86 2HH2 ARG 9 2HH2 ARG 9 2.805 6.416 2.823 87 H SER 10 H SER 10 9.442 4.952 5.614 88 HA SER 10 HA SER 10 9.346 7.844 5.682 89 1HB SER 10 2HB SER 10 11.778 7.549 6.100 90 2HB SER 10 1HB SER 10 10.813 6.464 7.098 91 HG SER 10 HG SER 10 11.486 4.792 5.950 92 H ALA 11 H ALA 11 9.876 5.485 3.197 93 HA ALA 11 HA ALA 11 11.458 7.215 1.463 94 1HB ALA 11 1HB ALA 11 11.751 4.819 1.409 95 2HB ALA 11 2HB ALA 11 11.026 5.294 -0.126 96 3HB ALA 11 3HB ALA 11 10.028 4.569 1.132 97 H ILE 12 H ILE 12 8.104 6.865 2.160 98 HA ILE 12 HA ILE 12 7.424 8.317 -0.340 99 HB ILE 12 HB ILE 12 5.822 6.334 1.245 100 1HG1 ILE 12 2HG1 ILE 12 7.143 6.129 -1.474 101 2HG1 ILE 12 1HG1 ILE 12 7.683 5.313 -0.007 102 1HG2 ILE 12 1HG2 ILE 12 5.226 7.850 -1.304 103 2HG2 ILE 12 2HG2 ILE 12 4.335 7.934 0.217 104 3HG2 ILE 12 3HG2 ILE 12 4.288 6.461 -0.752 105 1HD1 ILE 12 1HD1 ILE 12 5.595 4.538 -1.863 106 2HD1 ILE 12 2HD1 ILE 12 4.954 4.688 -0.228 107 3HD1 ILE 12 3HD1 ILE 12 6.313 3.609 -0.547 108 H ARG 13 H ARG 13 6.808 7.973 3.125 109 HA ARG 13 HA ARG 13 4.713 9.831 3.473 110 1HB ARG 13 2HB ARG 13 5.809 8.260 5.132 111 2HB ARG 13 1HB ARG 13 7.145 9.398 5.239 112 1HG ARG 13 2HG ARG 13 4.307 10.275 5.765 113 2HG ARG 13 1HG ARG 13 5.279 9.539 7.034 114 1HD ARG 13 2HD ARG 13 5.978 12.071 5.497 115 2HD ARG 13 1HD ARG 13 5.490 11.966 7.189 116 HE ARG 13 HE ARG 13 8.130 11.438 6.234 117 1HH1 ARG 13 1HH1 ARG 13 7.462 12.002 9.094 118 2HH1 ARG 13 2HH1 ARG 13 7.797 10.484 9.856 119 1HH2 ARG 13 1HH2 ARG 13 7.821 8.691 6.893 120 2HH2 ARG 13 2HH2 ARG 13 8.001 8.616 8.613 121 H ARG 14 H ARG 14 8.220 10.395 3.178 122 HA ARG 14 HA ARG 14 8.047 13.238 3.616 123 1HB ARG 14 2HB ARG 14 10.029 11.913 4.118 124 2HB ARG 14 1HB ARG 14 10.129 11.373 2.441 125 1HG ARG 14 2HG ARG 14 11.717 13.189 2.794 126 2HG ARG 14 1HG ARG 14 10.409 13.719 1.738 127 1HD ARG 14 2HD ARG 14 10.925 15.428 3.487 128 2HD ARG 14 1HD ARG 14 9.277 14.796 3.659 129 HE ARG 14 HE ARG 14 9.962 13.934 5.738 130 1HH1 ARG 14 1HH1 ARG 14 12.631 15.522 5.104 131 2HH1 ARG 14 2HH1 ARG 14 13.782 14.306 5.547 132 1HH2 ARG 14 1HH2 ARG 14 11.437 11.752 5.652 133 2HH2 ARG 14 2HH2 ARG 14 13.106 12.170 5.858 134 H ALA 15 H ALA 15 7.482 11.175 0.888 135 HA ALA 15 HA ALA 15 7.631 13.520 -0.940 136 1HB ALA 15 1HB ALA 15 7.825 11.578 -2.666 137 2HB ALA 15 2HB ALA 15 8.170 10.576 -1.255 138 3HB ALA 15 3HB ALA 15 9.224 11.934 -1.651 139 H SER 16 H SER 16 5.382 11.972 0.777 140 HA SER 16 HA SER 16 3.344 12.231 -1.351 141 1HB SER 16 2HB SER 16 3.809 9.945 0.520 142 2HB SER 16 1HB SER 16 2.347 10.129 -0.425 143 HG SER 16 HG SER 16 3.813 10.254 -2.283 144 H THR 17 H THR 17 4.274 13.328 1.543 145 HA THR 17 HA THR 17 1.488 13.698 2.502 146 HB THR 17 HB THR 17 4.053 13.374 4.086 147 HG1 THR 17 1HG THR 17 3.336 11.366 4.487 148 1HG2 THR 17 1HG2 THR 17 1.170 13.749 4.940 149 2HG2 THR 17 2HG2 THR 17 2.524 14.828 5.271 150 3HG2 THR 17 3HG2 THR 17 2.462 13.236 6.028 151 H ILE 18 H ILE 18 4.618 15.142 1.870 152 HA ILE 18 HA ILE 18 3.698 17.749 2.919 153 HB ILE 18 HB ILE 18 5.898 16.860 3.605 154 1HG1 ILE 18 2HG1 ILE 18 7.250 18.830 2.977 155 2HG1 ILE 18 1HG1 ILE 18 6.099 19.215 1.697 156 1HG2 ILE 18 1HG2 ILE 18 6.002 16.135 0.844 157 2HG2 ILE 18 2HG2 ILE 18 7.166 15.752 2.112 158 3HG2 ILE 18 3HG2 ILE 18 7.348 17.229 1.165 159 1HD1 ILE 18 1HD1 ILE 18 5.395 19.041 4.644 160 2HD1 ILE 18 2HD1 ILE 18 4.322 19.544 3.338 161 3HD1 ILE 18 3HD1 ILE 18 5.706 20.546 3.776 162 H GLU 19 H GLU 19 4.141 15.995 -0.027 163 HA GLU 19 HA GLU 19 3.751 18.503 -1.583 164 1HB GLU 19 2HB GLU 19 5.083 17.386 -3.348 165 2HB GLU 19 1HB GLU 19 5.996 17.519 -1.846 166 1HG GLU 19 2HG GLU 19 5.388 15.200 -1.265 167 2HG GLU 19 1HG GLU 19 4.475 15.061 -2.768 168 H MET 20 H MET 20 2.314 15.648 -0.608 169 HA MET 20 HA MET 20 0.202 15.855 -2.637 170 1HB MET 20 2HB MET 20 2.022 14.526 -3.716 171 2HB MET 20 1HB MET 20 1.931 13.371 -2.386 172 1HG MET 20 2HG MET 20 -0.446 12.947 -2.934 173 2HG MET 20 1HG MET 20 -0.324 14.070 -4.287 174 1HE MET 20 1HE MET 20 1.673 12.848 -6.827 175 2HE MET 20 2HE MET 20 2.934 12.889 -5.598 176 3HE MET 20 3HE MET 20 1.674 14.120 -5.597 177 HA PRO 21 HA PRO 21 -0.872 14.084 1.528 178 1HB PRO 21 2HB PRO 21 -2.161 16.245 2.589 179 2HB PRO 21 1HB PRO 21 -0.418 15.994 2.749 180 1HG PRO 21 2HG PRO 21 -1.884 17.877 1.058 181 2HG PRO 21 1HG PRO 21 -0.251 17.985 1.709 182 1HD PRO 21 2HD PRO 21 -0.979 17.287 -0.927 183 2HD PRO 21 1HD PRO 21 0.636 17.173 -0.200 184 H GLN 22 H GLN 22 -2.876 16.453 -0.265 185 HA GLN 22 HA GLN 22 -5.410 15.361 0.392 186 1HB GLN 22 2HB GLN 22 -4.441 16.795 -2.068 187 2HB GLN 22 1HB GLN 22 -6.131 16.621 -1.615 188 1HG GLN 22 2HG GLN 22 -5.672 17.807 0.507 189 2HG GLN 22 1HG GLN 22 -3.990 18.005 0.030 190 1HE2 GLN 22 1HE2 GLN 22 -5.792 18.301 -2.820 191 2HE2 GLN 22 2HE2 GLN 22 -5.974 19.984 -2.824 192 H GLN 23 H GLN 23 -3.360 14.749 -2.477 193 HA GLN 23 HA GLN 23 -5.107 12.758 -3.586 194 1HB GLN 23 2HB GLN 23 -3.503 14.042 -4.896 195 2HB GLN 23 1HB GLN 23 -2.187 13.356 -3.959 196 1HG GLN 23 2HG GLN 23 -2.401 12.181 -6.109 197 2HG GLN 23 1HG GLN 23 -2.771 11.096 -4.769 198 1HE2 GLN 23 1HE2 GLN 23 -3.912 12.099 -7.767 199 2HE2 GLN 23 2HE2 GLN 23 -5.544 11.668 -7.588 200 H ALA 24 H ALA 24 -1.984 12.470 -1.824 201 HA ALA 24 HA ALA 24 -1.812 9.662 -1.718 202 1HB ALA 24 1HB ALA 24 -0.588 10.121 0.451 203 2HB ALA 24 2HB ALA 24 -1.131 11.795 0.328 204 3HB ALA 24 3HB ALA 24 -0.060 11.122 -0.901 205 H ARG 25 H ARG 25 -3.760 11.856 0.291 206 HA ARG 25 HA ARG 25 -4.695 9.974 2.205 207 1HB ARG 25 2HB ARG 25 -4.943 12.416 2.348 208 2HB ARG 25 1HB ARG 25 -6.024 12.371 0.963 209 1HG ARG 25 2HG ARG 25 -7.601 10.955 2.216 210 2HG ARG 25 1HG ARG 25 -6.522 10.989 3.610 211 1HD ARG 25 2HD ARG 25 -7.801 13.440 2.345 212 2HD ARG 25 1HD ARG 25 -8.333 12.669 3.853 213 HE ARG 25 HE ARG 25 -6.058 14.408 3.612 214 1HH1 ARG 25 1HH1 ARG 25 -7.427 13.779 6.195 215 2HH1 ARG 25 2HH1 ARG 25 -6.224 12.856 7.032 216 1HH2 ARG 25 1HH2 ARG 25 -4.352 12.217 4.186 217 2HH2 ARG 25 2HH2 ARG 25 -4.483 11.971 5.895 218 H GLN 26 H GLN 26 -5.963 10.914 -0.977 219 HA GLN 26 HA GLN 26 -8.274 9.222 -0.931 220 1HB GLN 26 2HB GLN 26 -6.633 10.371 -3.177 221 2HB GLN 26 1HB GLN 26 -8.269 9.742 -3.351 222 1HG GLN 26 2HG GLN 26 -7.433 12.054 -1.581 223 2HG GLN 26 1HG GLN 26 -8.293 12.196 -3.114 224 1HE2 GLN 26 1HE2 GLN 26 -8.831 12.173 0.179 225 2HE2 GLN 26 2HE2 GLN 26 -10.437 11.625 0.192 226 H ASN 27 H ASN 27 -5.176 8.870 -2.672 227 HA ASN 27 HA ASN 27 -5.570 6.248 -3.640 228 1HB ASN 27 2HB ASN 27 -3.801 7.804 -4.336 229 2HB ASN 27 1HB ASN 27 -3.060 7.646 -2.750 230 1HD2 ASN 27 1HD2 ASN 27 -1.311 6.232 -2.802 231 2HD2 ASN 27 2HD2 ASN 27 -1.215 4.838 -3.766 232 H LEU 28 H LEU 28 -4.531 7.375 -0.470 233 HA LEU 28 HA LEU 28 -3.491 4.947 0.574 234 1HB LEU 28 2HB LEU 28 -3.224 7.157 1.581 235 2HB LEU 28 1HB LEU 28 -4.953 7.226 1.879 236 HG LEU 28 HG LEU 28 -4.800 5.268 3.359 237 1HD1 LEU 28 1HD2 LEU 28 -2.388 4.599 4.005 238 2HD1 LEU 28 2HD2 LEU 28 -1.905 5.391 2.504 239 3HD1 LEU 28 3HD2 LEU 28 -3.002 4.009 2.460 240 1HD2 LEU 28 1HD1 LEU 28 -3.056 7.664 3.862 241 2HD2 LEU 28 2HD1 LEU 28 -3.133 6.371 5.057 242 3HD2 LEU 28 3HD1 LEU 28 -4.599 7.238 4.603 243 H GLN 29 H GLN 29 -6.801 6.077 0.168 244 HA GLN 29 HA GLN 29 -8.156 4.340 1.936 245 1HB GLN 29 2HB GLN 29 -8.914 5.397 -0.775 246 2HB GLN 29 1HB GLN 29 -10.056 4.733 0.384 247 1HG GLN 29 2HG GLN 29 -9.359 6.466 2.022 248 2HG GLN 29 1HG GLN 29 -8.281 7.154 0.812 249 1HE2 GLN 29 1HE2 GLN 29 -10.979 6.066 -0.911 250 2HE2 GLN 29 2HE2 GLN 29 -11.875 7.503 -0.904 251 H ASN 30 H ASN 30 -6.810 3.735 -1.267 252 HA ASN 30 HA ASN 30 -8.107 1.289 -1.867 253 1HB ASN 30 2HB ASN 30 -6.781 2.627 -3.429 254 2HB ASN 30 1HB ASN 30 -5.335 2.271 -2.495 255 1HD2 ASN 30 1HD2 ASN 30 -4.118 0.632 -3.448 256 2HD2 ASN 30 2HD2 ASN 30 -4.761 -0.691 -4.293 257 H LEU 31 H LEU 31 -5.078 1.899 -0.084 258 HA LEU 31 HA LEU 31 -4.216 -0.736 0.335 259 1HB LEU 31 2HB LEU 31 -3.000 1.309 0.935 260 2HB LEU 31 1HB LEU 31 -4.182 1.625 2.198 261 HG LEU 31 HG LEU 31 -3.568 -0.472 3.327 262 1HD1 LEU 31 1HD2 LEU 31 -2.308 -0.962 0.768 263 2HD1 LEU 31 2HD2 LEU 31 -2.611 -2.092 2.088 264 3HD1 LEU 31 3HD2 LEU 31 -1.131 -1.133 2.070 265 1HD2 LEU 31 1HD1 LEU 31 -2.089 1.864 3.229 266 2HD2 LEU 31 2HD1 LEU 31 -0.871 0.621 2.941 267 3HD2 LEU 31 3HD1 LEU 31 -1.860 0.566 4.400 268 H PHE 32 H PHE 32 -6.817 1.032 1.937 269 HA PHE 32 HA PHE 32 -7.208 -0.819 4.096 270 1HB PHE 32 2HB PHE 32 -7.968 1.536 4.053 271 2HB PHE 32 1HB PHE 32 -9.092 1.140 2.754 272 HD1 PHE 32 1HD PHE 32 -8.130 -0.331 6.077 273 HD2 PHE 32 2HD PHE 32 -11.298 0.859 3.432 274 HE1 PHE 32 1HE PHE 32 -9.805 -1.067 7.753 275 HE2 PHE 32 2HE PHE 32 -12.973 0.123 5.107 276 HZ PHE 32 HZ PHE 32 -12.226 -0.839 7.267 277 H ILE 33 H ILE 33 -9.243 -0.246 1.198 278 HA ILE 33 HA ILE 33 -10.830 -2.596 1.482 279 HB ILE 33 HB ILE 33 -10.045 -0.990 -0.940 280 1HG1 ILE 33 2HG1 ILE 33 -12.420 -0.766 0.926 281 2HG1 ILE 33 1HG1 ILE 33 -11.058 0.353 0.871 282 1HG2 ILE 33 1HG2 ILE 33 -12.350 -1.817 -1.726 283 2HG2 ILE 33 2HG2 ILE 33 -12.213 -3.027 -0.450 284 3HG2 ILE 33 3HG2 ILE 33 -11.031 -2.988 -1.759 285 1HD1 ILE 33 1HD1 ILE 33 -11.600 0.992 -1.406 286 2HD1 ILE 33 2HD1 ILE 33 -13.054 1.154 -0.421 287 3HD1 ILE 33 3HD1 ILE 33 -12.864 -0.236 -1.490 288 H ASN 34 H ASN 34 -7.705 -2.042 -0.072 289 HA ASN 34 HA ASN 34 -7.521 -4.437 -1.595 290 1HB ASN 34 2HB ASN 34 -6.005 -2.487 -1.746 291 2HB ASN 34 1HB ASN 34 -5.395 -2.840 -0.129 292 1HD2 ASN 34 1HD2 ASN 34 -4.651 -3.290 -3.351 293 2HD2 ASN 34 2HD2 ASN 34 -3.696 -4.686 -3.220 294 H PHE 35 H PHE 35 -6.362 -3.740 1.717 295 HA PHE 35 HA PHE 35 -5.384 -6.319 2.362 296 1HB PHE 35 2HB PHE 35 -5.094 -4.181 3.631 297 2HB PHE 35 1HB PHE 35 -6.783 -4.263 4.111 298 HD1 PHE 35 1HD PHE 35 -5.429 -4.045 6.394 299 HD2 PHE 35 2HD PHE 35 -5.538 -7.585 3.959 300 HE1 PHE 35 1HE PHE 35 -4.791 -5.417 8.356 301 HE2 PHE 35 2HE PHE 35 -4.906 -8.954 5.925 302 HZ PHE 35 HZ PHE 35 -4.531 -7.871 8.122 303 H CYS 36 H CYS 36 -8.632 -4.913 2.843 304 HA CYS 36 HA CYS 36 -9.863 -7.171 4.057 305 1HB CYS 36 2HB CYS 36 -10.969 -4.999 2.246 306 2HB CYS 36 1HB CYS 36 -11.936 -6.006 3.321 307 HG CYS 36 HG CYS 36 -10.415 -4.940 5.319 308 H LEU 37 H LEU 37 -8.980 -6.535 0.746 309 HA LEU 37 HA LEU 37 -10.750 -8.610 -0.343 310 1HB LEU 37 2HB LEU 37 -10.328 -6.449 -1.469 311 2HB LEU 37 1HB LEU 37 -8.616 -6.854 -1.582 312 HG LEU 37 HG LEU 37 -10.750 -8.650 -2.750 313 1HD1 LEU 37 1HD1 LEU 37 -10.578 -6.120 -3.569 314 2HD1 LEU 37 2HD1 LEU 37 -10.790 -7.439 -4.719 315 3HD1 LEU 37 3HD1 LEU 37 -9.188 -6.752 -4.450 316 1HD2 LEU 37 1HD2 LEU 37 -8.592 -8.955 -4.305 317 2HD2 LEU 37 2HD2 LEU 37 -8.771 -9.852 -2.797 318 3HD2 LEU 37 3HD2 LEU 37 -7.770 -8.402 -2.845 319 H ILE 38 H ILE 38 -7.240 -8.041 0.002 320 HA ILE 38 HA ILE 38 -6.450 -10.592 -1.109 321 HB ILE 38 HB ILE 38 -5.074 -8.516 -0.981 322 1HG1 ILE 38 2HG1 ILE 38 -3.911 -10.887 0.516 323 2HG1 ILE 38 1HG1 ILE 38 -3.972 -10.715 -1.238 324 1HG2 ILE 38 1HG2 ILE 38 -4.187 -7.722 1.084 325 2HG2 ILE 38 2HG2 ILE 38 -4.723 -9.161 1.951 326 3HG2 ILE 38 3HG2 ILE 38 -5.905 -7.982 1.384 327 1HD1 ILE 38 1HD1 ILE 38 -1.781 -10.015 -0.610 328 2HD1 ILE 38 2HD1 ILE 38 -2.394 -9.058 0.738 329 3HD1 ILE 38 3HD1 ILE 38 -2.678 -8.529 -0.921 330 H LEU 39 H LEU 39 -7.590 -9.621 2.020 331 HA LEU 39 HA LEU 39 -6.324 -11.661 3.589 332 1HB LEU 39 2HB LEU 39 -7.150 -9.598 4.539 333 2HB LEU 39 1HB LEU 39 -8.772 -9.909 3.919 334 HG LEU 39 HG LEU 39 -8.928 -11.903 5.323 335 1HD1 LEU 39 1HD1 LEU 39 -6.238 -11.021 6.407 336 2HD1 LEU 39 2HD1 LEU 39 -6.508 -12.431 5.383 337 3HD1 LEU 39 3HD1 LEU 39 -7.196 -12.376 7.006 338 1HD2 LEU 39 1HD2 LEU 39 -8.393 -9.208 6.490 339 2HD2 LEU 39 2HD2 LEU 39 -8.579 -10.559 7.608 340 3HD2 LEU 39 3HD2 LEU 39 -9.883 -10.151 6.492 341 H ILE 40 H ILE 40 -9.073 -11.696 1.442 342 HA ILE 40 HA ILE 40 -9.712 -14.434 2.414 343 HB ILE 40 HB ILE 40 -12.094 -13.880 2.000 344 1HG1 ILE 40 2HG1 ILE 40 -10.984 -11.112 1.420 345 2HG1 ILE 40 1HG1 ILE 40 -11.722 -12.192 0.235 346 1HG2 ILE 40 1HG2 ILE 40 -11.066 -11.638 3.701 347 2HG2 ILE 40 2HG2 ILE 40 -10.692 -13.293 4.180 348 3HG2 ILE 40 3HG2 ILE 40 -12.371 -12.781 4.022 349 1HD1 ILE 40 1HD1 ILE 40 -13.793 -12.196 1.730 350 2HD1 ILE 40 2HD1 ILE 40 -13.450 -10.680 0.897 351 3HD1 ILE 40 3HD1 ILE 40 -13.047 -10.858 2.605 352 H PHE 41 H PHE 41 -9.733 -12.175 -0.327 353 HA PHE 41 HA PHE 41 -10.719 -13.865 -2.355 354 1HB PHE 41 2HB PHE 41 -10.224 -11.452 -2.554 355 2HB PHE 41 1HB PHE 41 -8.499 -11.800 -2.451 356 HD1 PHE 41 1HD PHE 41 -11.455 -13.128 -4.359 357 HD2 PHE 41 2HD PHE 41 -7.371 -11.800 -4.480 358 HE1 PHE 41 1HE PHE 41 -11.390 -13.549 -6.803 359 HE2 PHE 41 2HE PHE 41 -7.307 -12.219 -6.923 360 HZ PHE 41 HZ PHE 41 -9.316 -13.093 -8.084 361 H LEU 42 H LEU 42 -7.645 -13.962 -0.688 362 HA LEU 42 HA LEU 42 -6.342 -15.629 -2.689 363 1HB LEU 42 2HB LEU 42 -5.087 -13.998 -1.420 364 2HB LEU 42 1HB LEU 42 -5.684 -14.660 0.103 365 HG LEU 42 HG LEU 42 -4.552 -16.777 -0.376 366 1HD1 LEU 42 1HD1 LEU 42 -3.965 -15.360 -2.944 367 2HD1 LEU 42 2HD1 LEU 42 -4.396 -17.048 -2.673 368 3HD1 LEU 42 3HD1 LEU 42 -2.761 -16.490 -2.322 369 1HD2 LEU 42 1HD2 LEU 42 -3.421 -14.690 0.712 370 2HD2 LEU 42 2HD2 LEU 42 -2.497 -14.618 -0.790 371 3HD2 LEU 42 3HD2 LEU 42 -2.403 -16.049 0.237 372 H LEU 43 H LEU 43 -7.046 -16.130 0.788 373 HA LEU 43 HA LEU 43 -6.703 -18.950 0.737 374 1HB LEU 43 2HB LEU 43 -7.849 -18.811 2.942 375 2HB LEU 43 1HB LEU 43 -6.615 -17.570 2.751 376 HG LEU 43 HG LEU 43 -8.496 -15.998 2.007 377 1HD1 LEU 43 1HD2 LEU 43 -10.451 -17.088 1.572 378 2HD1 LEU 43 2HD2 LEU 43 -10.675 -17.020 3.320 379 3HD1 LEU 43 3HD2 LEU 43 -10.008 -18.470 2.573 380 1HD2 LEU 43 1HD1 LEU 43 -7.662 -15.619 4.175 381 2HD2 LEU 43 2HD1 LEU 43 -8.243 -17.176 4.767 382 3HD2 LEU 43 3HD1 LEU 43 -9.386 -15.869 4.455 383 H LEU 44 H LEU 44 -9.292 -17.067 -0.510 384 HA LEU 44 HA LEU 44 -11.332 -19.121 -0.179 385 1HB LEU 44 2HB LEU 44 -11.882 -16.767 -0.020 386 2HB LEU 44 1HB LEU 44 -11.155 -16.452 -1.595 387 HG LEU 44 HG LEU 44 -12.810 -17.901 -2.657 388 1HD1 LEU 44 1HD1 LEU 44 -13.212 -19.442 -0.790 389 2HD1 LEU 44 2HD1 LEU 44 -14.736 -18.734 -1.321 390 3HD1 LEU 44 3HD1 LEU 44 -13.951 -18.142 0.143 391 1HD2 LEU 44 1HD2 LEU 44 -13.447 -15.610 -2.608 392 2HD2 LEU 44 2HD2 LEU 44 -13.819 -15.673 -0.885 393 3HD2 LEU 44 3HD2 LEU 44 -14.873 -16.481 -2.045 394 H ILE 45 H ILE 45 -9.831 -17.513 -3.015 395 HA ILE 45 HA ILE 45 -10.879 -19.173 -5.027 396 HB ILE 45 HB ILE 45 -8.888 -18.391 -6.309 397 1HG1 ILE 45 2HG1 ILE 45 -7.994 -17.337 -3.605 398 2HG1 ILE 45 1HG1 ILE 45 -7.240 -18.675 -4.472 399 1HG2 ILE 45 1HG2 ILE 45 -9.194 -15.870 -5.507 400 2HG2 ILE 45 2HG2 ILE 45 -10.513 -16.574 -4.574 401 3HG2 ILE 45 3HG2 ILE 45 -10.495 -16.728 -6.329 402 1HD1 ILE 45 1HD1 ILE 45 -5.931 -16.731 -4.971 403 2HD1 ILE 45 2HD1 ILE 45 -7.370 -15.770 -5.311 404 3HD1 ILE 45 3HD1 ILE 45 -6.892 -17.062 -6.412 405 H CYS 46 H CYS 46 -8.404 -19.902 -2.679 406 HA CYS 46 HA CYS 46 -6.964 -21.943 -4.013 407 1HB CYS 46 2HB CYS 46 -6.355 -20.917 -1.871 408 2HB CYS 46 1HB CYS 46 -7.764 -21.661 -1.128 409 HG CYS 46 HG CYS 46 -6.151 -23.841 -2.368 410 H ILE 47 H ILE 47 -10.106 -22.049 -2.391 411 HA ILE 47 HA ILE 47 -10.297 -24.947 -2.581 412 HB ILE 47 HB ILE 47 -12.171 -22.700 -1.792 413 1HG1 ILE 47 2HG1 ILE 47 -11.911 -23.779 0.472 414 2HG1 ILE 47 1HG1 ILE 47 -10.697 -24.845 -0.229 415 1HG2 ILE 47 1HG2 ILE 47 -13.429 -24.810 -0.788 416 2HG2 ILE 47 2HG2 ILE 47 -12.662 -25.623 -2.151 417 3HG2 ILE 47 3HG2 ILE 47 -13.743 -24.259 -2.435 418 1HD1 ILE 47 1HD1 ILE 47 -9.886 -22.694 0.973 419 2HD1 ILE 47 2HD1 ILE 47 -10.444 -21.853 -0.473 420 3HD1 ILE 47 3HD1 ILE 47 -9.182 -23.078 -0.597 421 H ILE 48 H ILE 48 -11.057 -22.219 -4.584 422 HA ILE 48 HA ILE 48 -12.978 -23.696 -6.233 423 HB ILE 48 HB ILE 48 -11.764 -20.954 -6.410 424 1HG1 ILE 48 2HG1 ILE 48 -14.458 -21.899 -5.395 425 2HG1 ILE 48 1HG1 ILE 48 -13.130 -21.323 -4.387 426 1HG2 ILE 48 1HG2 ILE 48 -13.853 -20.570 -7.858 427 2HG2 ILE 48 2HG2 ILE 48 -13.952 -22.328 -7.966 428 3HG2 ILE 48 3HG2 ILE 48 -12.535 -21.483 -8.591 429 1HD1 ILE 48 1HD1 ILE 48 -15.153 -19.749 -5.476 430 2HD1 ILE 48 2HD1 ILE 48 -13.771 -19.447 -6.530 431 3HD1 ILE 48 3HD1 ILE 48 -13.636 -19.161 -4.796 432 H VAL 49 H VAL 49 -9.684 -22.382 -6.484 433 HA VAL 49 HA VAL 49 -9.238 -23.038 -9.234 434 HB VAL 49 HB VAL 49 -7.881 -21.488 -7.857 435 1HG1 VAL 49 1HG2 VAL 49 -8.002 -23.049 -5.814 436 2HG1 VAL 49 2HG2 VAL 49 -6.456 -22.254 -6.110 437 3HG1 VAL 49 3HG2 VAL 49 -6.681 -23.943 -6.563 438 1HG2 VAL 49 1HG1 VAL 49 -6.534 -22.011 -9.628 439 2HG2 VAL 49 2HG1 VAL 49 -6.743 -23.747 -9.401 440 3HG2 VAL 49 3HG1 VAL 49 -5.593 -22.858 -8.401 441 H MET 50 H MET 50 -8.626 -24.891 -6.233 442 HA MET 50 HA MET 50 -7.297 -27.106 -7.394 443 1HB MET 50 2HB MET 50 -9.152 -26.857 -5.043 444 2HB MET 50 1HB MET 50 -8.140 -28.266 -5.341 445 1HG MET 50 2HG MET 50 -7.110 -25.432 -5.023 446 2HG MET 50 1HG MET 50 -7.083 -26.657 -3.754 447 1HE MET 50 1HE MET 50 -6.390 -28.898 -4.112 448 2HE MET 50 2HE MET 50 -4.816 -29.331 -4.776 449 3HE MET 50 3HE MET 50 -6.248 -29.408 -5.800 450 H LEU 51 H LEU 51 -10.605 -26.134 -7.656 451 HA LEU 51 HA LEU 51 -11.489 -28.861 -8.449 452 1HB LEU 51 2HB LEU 51 -12.943 -26.218 -8.106 453 2HB LEU 51 1HB LEU 51 -13.720 -27.773 -8.406 454 HG LEU 51 HG LEU 51 -11.986 -27.100 -6.011 455 1HD1 LEU 51 1HD1 LEU 51 -13.921 -26.183 -5.261 456 2HD1 LEU 51 2HD1 LEU 51 -14.495 -27.845 -5.125 457 3HD1 LEU 51 3HD1 LEU 51 -14.863 -26.900 -6.567 458 1HD2 LEU 51 1HD2 LEU 51 -13.486 -29.610 -6.812 459 2HD2 LEU 51 2HD2 LEU 51 -12.816 -29.336 -5.203 460 3HD2 LEU 51 3HD2 LEU 51 -11.742 -29.439 -6.599 461 H LEU 52 H LEU 52 -11.233 -25.557 -9.787 462 HA LEU 52 HA LEU 52 -11.836 -26.650 -12.503 463 1HB LEU 52 2HB LEU 52 -11.681 -23.829 -11.387 464 2HB LEU 52 1HB LEU 52 -12.181 -24.245 -13.027 465 HG LEU 52 HG LEU 52 -13.552 -25.170 -10.486 466 1HD1 LEU 52 1HD2 LEU 52 -13.689 -22.682 -11.589 467 2HD1 LEU 52 2HD2 LEU 52 -15.023 -23.444 -10.724 468 3HD1 LEU 52 3HD2 LEU 52 -14.965 -23.507 -12.486 469 1HD2 LEU 52 1HD1 LEU 52 -13.928 -26.863 -12.078 470 2HD2 LEU 52 2HD1 LEU 52 -13.973 -25.719 -13.420 471 3HD2 LEU 52 3HD1 LEU 52 -15.323 -25.803 -12.287 Start of MODEL 5 1 1H MET 1 1HT MET 1 22.635 10.685 14.190 2 2H MET 1 2HT MET 1 21.288 10.663 15.227 3 H MET 1 H MET 1 21.652 11.106 15.716 4 3H MET 1 3HT MET 1 22.575 11.731 15.525 5 HA MET 1 HA MET 1 22.053 13.073 13.679 6 1HB MET 1 2HB MET 1 20.321 12.261 12.072 7 2HB MET 1 1HB MET 1 21.721 11.210 12.159 8 1HG MET 1 2HG MET 1 20.539 9.716 13.704 9 2HG MET 1 1HG MET 1 19.138 10.778 13.630 10 1HE MET 1 1HE MET 1 21.389 9.887 10.277 11 2HE MET 1 2HE MET 1 20.985 8.176 10.419 12 3HE MET 1 3HE MET 1 21.741 9.012 11.773 13 H ASP 2 H ASP 2 20.693 14.706 14.099 14 HA ASP 2 HA ASP 2 18.295 14.170 15.826 15 1HB ASP 2 2HB ASP 2 20.178 16.552 15.749 16 2HB ASP 2 1HB ASP 2 18.797 16.380 16.831 17 H LYS 3 H LYS 3 19.702 16.273 13.314 18 HA LYS 3 HA LYS 3 16.955 17.128 12.544 19 1HB LYS 3 2HB LYS 3 18.400 18.920 13.264 20 2HB LYS 3 1HB LYS 3 19.692 18.333 12.229 21 1HG LYS 3 2HG LYS 3 18.300 18.749 10.250 22 2HG LYS 3 1HG LYS 3 17.022 19.390 11.282 23 1HD LYS 3 2HD LYS 3 19.831 20.514 11.046 24 2HD LYS 3 1HD LYS 3 18.382 21.222 10.335 25 1HE LYS 3 2HE LYS 3 17.406 21.516 12.589 26 2HE LYS 3 1HE LYS 3 18.869 20.811 13.309 27 1HZ LYS 3 1HZ LYS 3 20.200 22.522 12.378 28 2HZ LYS 3 2HZ LYS 3 18.890 23.293 13.135 29 3HZ LYS 3 3HZ LYS 3 18.915 23.122 11.446 30 H VAL 4 H VAL 4 19.982 15.708 11.432 31 HA VAL 4 HA VAL 4 19.678 15.828 8.642 32 HB VAL 4 HB VAL 4 20.711 13.596 10.376 33 1HG1 VAL 4 1HG2 VAL 4 20.742 12.618 8.282 34 2HG1 VAL 4 2HG2 VAL 4 22.272 13.493 8.217 35 3HG1 VAL 4 3HG2 VAL 4 20.835 14.170 7.451 36 1HG2 VAL 4 1HG1 VAL 4 22.636 15.404 9.128 37 2HG2 VAL 4 2HG1 VAL 4 22.525 14.875 10.807 38 3HG2 VAL 4 3HG1 VAL 4 21.553 16.234 10.244 39 H GLN 5 H GLN 5 18.092 13.697 10.970 40 HA GLN 5 HA GLN 5 16.975 11.873 9.054 41 1HB GLN 5 2HB GLN 5 15.599 11.192 10.980 42 2HB GLN 5 1HB GLN 5 17.267 11.451 11.483 43 1HG GLN 5 2HG GLN 5 16.656 13.741 12.246 44 2HG GLN 5 1HG GLN 5 14.979 13.414 11.809 45 1HE2 GLN 5 1HE2 GLN 5 17.001 13.429 14.445 46 2HE2 GLN 5 2HE2 GLN 5 16.219 12.269 15.405 47 H TYR 6 H TYR 6 15.711 14.847 10.575 48 HA TYR 6 HA TYR 6 13.176 14.643 9.132 49 1HB TYR 6 2HB TYR 6 13.392 15.548 11.432 50 2HB TYR 6 1HB TYR 6 14.416 16.843 10.816 51 HD1 TYR 6 1HD TYR 6 13.364 18.243 8.800 52 HD2 TYR 6 2HD TYR 6 11.104 15.925 11.625 53 HE1 TYR 6 1HE TYR 6 11.334 19.553 8.252 54 HE2 TYR 6 2HE TYR 6 9.076 17.243 11.081 55 HH TYR 6 HH TYR 6 8.611 19.597 10.142 56 H LEU 7 H LEU 7 16.185 16.490 8.911 57 HA LEU 7 HA LEU 7 15.466 18.422 6.991 58 1HB LEU 7 2HB LEU 7 17.579 18.196 8.328 59 2HB LEU 7 1HB LEU 7 18.053 16.903 7.243 60 HG LEU 7 HG LEU 7 17.400 19.700 6.301 61 1HD1 LEU 7 1HD2 LEU 7 19.925 19.847 6.013 62 2HD1 LEU 7 2HD2 LEU 7 20.037 18.413 7.033 63 3HD1 LEU 7 3HD2 LEU 7 19.348 19.902 7.678 64 1HD2 LEU 7 1HD1 LEU 7 17.310 18.541 4.341 65 2HD2 LEU 7 2HD1 LEU 7 18.185 17.159 5.006 66 3HD2 LEU 7 3HD1 LEU 7 19.069 18.584 4.458 67 H THR 8 H THR 8 16.349 15.009 6.571 68 HA THR 8 HA THR 8 16.478 15.122 3.684 69 HB THR 8 HB THR 8 16.011 12.812 5.577 70 HG1 THR 8 1HG THR 8 18.224 12.679 5.659 71 1HG2 THR 8 1HG2 THR 8 16.378 13.037 2.691 72 2HG2 THR 8 2HG2 THR 8 15.846 11.656 3.650 73 3HG2 THR 8 3HG2 THR 8 17.568 11.974 3.440 74 H ARG 9 H ARG 9 13.937 14.411 6.046 75 HA ARG 9 HA ARG 9 11.984 13.172 4.490 76 1HB ARG 9 2HB ARG 9 11.840 13.672 6.899 77 2HB ARG 9 1HB ARG 9 11.701 15.372 6.519 78 1HG ARG 9 2HG ARG 9 9.486 14.338 6.984 79 2HG ARG 9 1HG ARG 9 9.595 15.036 5.374 80 1HD ARG 9 2HD ARG 9 8.515 12.896 5.126 81 2HD ARG 9 1HD ARG 9 10.163 12.681 4.528 82 HE ARG 9 HE ARG 9 9.040 11.404 6.876 83 1HH1 ARG 9 1HH1 ARG 9 11.564 10.967 4.946 84 2HH1 ARG 9 2HH1 ARG 9 12.783 10.807 6.167 85 1HH2 ARG 9 1HH2 ARG 9 10.752 11.974 8.724 86 2HH2 ARG 9 2HH2 ARG 9 12.322 11.373 8.306 87 H SER 10 H SER 10 12.893 16.580 4.551 88 HA SER 10 HA SER 10 10.746 17.597 2.967 89 1HB SER 10 2HB SER 10 12.321 19.490 2.656 90 2HB SER 10 1HB SER 10 12.303 18.940 4.329 91 HG SER 10 HG SER 10 14.268 18.690 2.363 92 H ALA 11 H ALA 11 13.457 15.610 2.138 93 HA ALA 11 HA ALA 11 13.471 16.418 -0.689 94 1HB ALA 11 1HB ALA 11 14.988 14.071 -0.206 95 2HB ALA 11 2HB ALA 11 15.183 15.104 1.211 96 3HB ALA 11 3HB ALA 11 15.591 15.717 -0.392 97 H ILE 12 H ILE 12 12.003 13.971 1.322 98 HA ILE 12 HA ILE 12 11.404 12.236 -0.968 99 HB ILE 12 HB ILE 12 10.839 12.087 1.979 100 1HG1 ILE 12 2HG1 ILE 12 12.435 10.122 1.794 101 2HG1 ILE 12 1HG1 ILE 12 12.782 10.655 0.152 102 1HG2 ILE 12 1HG2 ILE 12 10.319 9.617 1.316 103 2HG2 ILE 12 2HG2 ILE 12 10.032 10.291 -0.289 104 3HG2 ILE 12 3HG2 ILE 12 9.070 10.841 1.084 105 1HD1 ILE 12 1HD1 ILE 12 13.821 12.627 0.875 106 2HD1 ILE 12 2HD1 ILE 12 14.331 11.461 2.095 107 3HD1 ILE 12 3HD1 ILE 12 13.019 12.586 2.444 108 H ARG 13 H ARG 13 9.625 14.240 1.391 109 HA ARG 13 HA ARG 13 6.988 13.676 0.564 110 1HB ARG 13 2HB ARG 13 8.254 16.279 1.486 111 2HB ARG 13 1HB ARG 13 6.522 15.949 1.486 112 1HG ARG 13 2HG ARG 13 6.895 14.033 3.011 113 2HG ARG 13 1HG ARG 13 8.621 14.395 3.033 114 1HD ARG 13 2HD ARG 13 7.513 15.370 5.019 115 2HD ARG 13 1HD ARG 13 8.097 16.664 3.954 116 HE ARG 13 HE ARG 13 5.473 15.976 3.122 117 1HH1 ARG 13 1HH1 ARG 13 6.280 16.366 6.318 118 2HH1 ARG 13 2HH1 ARG 13 5.339 17.796 6.583 119 1HH2 ARG 13 1HH2 ARG 13 4.612 18.261 3.225 120 2HH2 ARG 13 2HH2 ARG 13 4.398 18.869 4.835 121 H ARG 14 H ARG 14 9.315 16.009 -0.786 122 HA ARG 14 HA ARG 14 7.623 17.279 -2.670 123 1HB ARG 14 2HB ARG 14 10.564 16.534 -2.792 124 2HB ARG 14 1HB ARG 14 9.792 17.736 -3.827 125 1HG ARG 14 2HG ARG 14 9.186 19.077 -1.870 126 2HG ARG 14 1HG ARG 14 9.876 17.858 -0.796 127 1HD ARG 14 2HD ARG 14 11.473 19.724 -1.153 128 2HD ARG 14 1HD ARG 14 12.106 18.221 -1.854 129 HE ARG 14 HE ARG 14 10.523 19.545 -3.826 130 1HH1 ARG 14 1HH1 ARG 14 12.294 21.685 -2.378 131 2HH1 ARG 14 2HH1 ARG 14 13.619 21.766 -3.491 132 1HH2 ARG 14 1HH2 ARG 14 12.751 18.844 -5.146 133 2HH2 ARG 14 2HH2 ARG 14 13.880 20.155 -5.056 134 H ALA 15 H ALA 15 8.868 14.036 -2.630 135 HA ALA 15 HA ALA 15 8.385 13.657 -5.516 136 1HB ALA 15 1HB ALA 15 10.325 12.799 -3.858 137 2HB ALA 15 2HB ALA 15 9.844 11.893 -5.293 138 3HB ALA 15 3HB ALA 15 9.206 11.443 -3.711 139 H SER 16 H SER 16 6.749 13.185 -2.515 140 HA SER 16 HA SER 16 4.737 11.507 -3.907 141 1HB SER 16 2HB SER 16 6.151 10.128 -2.468 142 2HB SER 16 1HB SER 16 5.815 11.203 -1.122 143 HG SER 16 HG SER 16 4.395 9.128 -1.990 144 H THR 17 H THR 17 5.058 14.464 -2.906 145 HA THR 17 HA THR 17 2.409 14.556 -1.556 146 HB THR 17 HB THR 17 4.863 16.270 -1.096 147 HG1 THR 17 1HG THR 17 3.628 14.165 0.324 148 1HG2 THR 17 1HG2 THR 17 2.896 17.606 -0.733 149 2HG2 THR 17 2HG2 THR 17 3.491 17.114 0.851 150 3HG2 THR 17 3HG2 THR 17 2.101 16.295 0.139 151 H ILE 18 H ILE 18 4.579 15.967 -3.935 152 HA ILE 18 HA ILE 18 2.643 18.091 -4.569 153 HB ILE 18 HB ILE 18 5.386 17.435 -5.601 154 1HG1 ILE 18 2HG1 ILE 18 4.432 19.513 -3.612 155 2HG1 ILE 18 1HG1 ILE 18 5.361 18.065 -3.220 156 1HG2 ILE 18 1HG2 ILE 18 5.209 19.923 -6.314 157 2HG2 ILE 18 2HG2 ILE 18 3.470 19.696 -6.129 158 3HG2 ILE 18 3HG2 ILE 18 4.368 18.722 -7.294 159 1HD1 ILE 18 1HD1 ILE 18 6.849 20.015 -3.371 160 2HD1 ILE 18 2HD1 ILE 18 6.283 20.332 -5.012 161 3HD1 ILE 18 3HD1 ILE 18 7.205 18.871 -4.665 162 H GLU 19 H GLU 19 3.589 14.953 -5.666 163 HA GLU 19 HA GLU 19 2.396 15.411 -8.332 164 1HB GLU 19 2HB GLU 19 4.633 14.439 -8.190 165 2HB GLU 19 1HB GLU 19 4.000 13.155 -7.172 166 1HG GLU 19 2HG GLU 19 2.516 12.417 -8.998 167 2HG GLU 19 1HG GLU 19 3.150 13.702 -10.024 168 H MET 20 H MET 20 1.964 13.523 -5.379 169 HA MET 20 HA MET 20 -0.619 12.517 -6.507 170 1HB MET 20 2HB MET 20 1.367 11.124 -4.731 171 2HB MET 20 1HB MET 20 -0.154 10.431 -5.277 172 1HG MET 20 2HG MET 20 0.591 10.709 -7.625 173 2HG MET 20 1HG MET 20 2.136 11.330 -7.048 174 1HE MET 20 1HE MET 20 3.557 10.255 -5.430 175 2HE MET 20 2HE MET 20 3.825 8.522 -5.245 176 3HE MET 20 3HE MET 20 2.531 9.308 -4.343 177 HA PRO 21 HA PRO 21 -1.010 14.550 -2.262 178 1HB PRO 21 2HB PRO 21 -2.269 16.865 -3.003 179 2HB PRO 21 1HB PRO 21 -0.510 16.727 -2.880 180 1HG PRO 21 2HG PRO 21 -2.233 16.678 -5.275 181 2HG PRO 21 1HG PRO 21 -0.632 17.388 -5.057 182 1HD PRO 21 2HD PRO 21 -1.086 14.999 -6.326 183 2HD PRO 21 1HD PRO 21 0.440 15.426 -5.524 184 H GLN 22 H GLN 22 -3.035 14.050 -5.057 185 HA GLN 22 HA GLN 22 -5.492 14.025 -3.377 186 1HB GLN 22 2HB GLN 22 -5.015 13.936 -6.347 187 2HB GLN 22 1HB GLN 22 -6.606 13.987 -5.603 188 1HG GLN 22 2HG GLN 22 -4.453 16.084 -5.214 189 2HG GLN 22 1HG GLN 22 -5.798 16.238 -6.338 190 1HE2 GLN 22 1HE2 GLN 22 -7.254 14.597 -3.873 191 2HE2 GLN 22 2HE2 GLN 22 -7.743 15.896 -2.907 192 H GLN 23 H GLN 23 -3.451 11.950 -5.383 193 HA GLN 23 HA GLN 23 -5.254 9.666 -5.168 194 1HB GLN 23 2HB GLN 23 -3.865 10.108 -7.146 195 2HB GLN 23 1HB GLN 23 -2.427 9.960 -6.147 196 1HG GLN 23 2HG GLN 23 -3.024 7.626 -5.610 197 2HG GLN 23 1HG GLN 23 -4.462 7.770 -6.620 198 1HE2 GLN 23 1HE2 GLN 23 -4.143 6.903 -8.670 199 2HE2 GLN 23 2HE2 GLN 23 -2.668 6.899 -9.511 200 H ALA 24 H ALA 24 -2.110 10.626 -3.785 201 HA ALA 24 HA ALA 24 -1.640 8.255 -2.272 202 1HB ALA 24 1HB ALA 24 -0.101 10.231 -2.827 203 2HB ALA 24 2HB ALA 24 0.014 9.606 -1.182 204 3HB ALA 24 3HB ALA 24 -0.892 11.086 -1.502 205 H ARG 25 H ARG 25 -3.274 11.317 -1.413 206 HA ARG 25 HA ARG 25 -3.883 10.697 1.288 207 1HB ARG 25 2HB ARG 25 -4.076 12.903 0.194 208 2HB ARG 25 1HB ARG 25 -5.424 12.286 -0.750 209 1HG ARG 25 2HG ARG 25 -6.700 11.861 1.316 210 2HG ARG 25 1HG ARG 25 -5.351 12.480 2.270 211 1HD ARG 25 2HD ARG 25 -5.567 14.683 1.152 212 2HD ARG 25 1HD ARG 25 -6.942 14.064 0.218 213 HE ARG 25 HE ARG 25 -8.247 14.403 2.150 214 1HH1 ARG 25 1HH2 ARG 25 -5.749 15.880 3.295 215 2HH1 ARG 25 2HH2 ARG 25 -5.648 15.129 4.852 216 1HH2 ARG 25 1HH1 ARG 25 -7.788 12.528 4.030 217 2HH2 ARG 25 2HH1 ARG 25 -6.806 13.234 5.270 218 H GLN 26 H GLN 26 -5.897 10.275 -1.634 219 HA GLN 26 HA GLN 26 -8.019 8.877 -0.295 220 1HB GLN 26 2HB GLN 26 -7.148 8.927 -3.175 221 2HB GLN 26 1HB GLN 26 -8.740 8.440 -2.607 222 1HG GLN 26 2HG GLN 26 -7.504 11.182 -2.225 223 2HG GLN 26 1HG GLN 26 -8.734 10.785 -3.421 224 1HE2 GLN 26 1HE2 GLN 26 -10.825 11.244 -2.740 225 2HE2 GLN 26 2HE2 GLN 26 -11.341 11.282 -1.124 226 H ASN 27 H ASN 27 -5.372 7.750 -2.398 227 HA ASN 27 HA ASN 27 -5.849 5.001 -2.396 228 1HB ASN 27 2HB ASN 27 -4.105 6.164 -3.667 229 2HB ASN 27 1HB ASN 27 -3.243 6.487 -2.170 230 1HD2 ASN 27 1HD2 ASN 27 -3.285 4.368 -4.751 231 2HD2 ASN 27 2HD2 ASN 27 -2.562 3.023 -4.010 232 H LEU 28 H LEU 28 -4.542 6.994 0.195 233 HA LEU 28 HA LEU 28 -3.397 5.048 1.875 234 1HB LEU 28 2HB LEU 28 -3.499 7.590 2.058 235 2HB LEU 28 1HB LEU 28 -5.102 7.366 2.740 236 HG LEU 28 HG LEU 28 -3.328 7.594 4.487 237 1HD1 LEU 28 1HD1 LEU 28 -5.481 5.961 4.518 238 2HD1 LEU 28 2HD1 LEU 28 -4.381 6.119 5.886 239 3HD1 LEU 28 3HD1 LEU 28 -4.207 4.769 4.764 240 1HD2 LEU 28 1HD2 LEU 28 -1.750 6.163 2.874 241 2HD2 LEU 28 2HD2 LEU 28 -2.377 4.836 3.853 242 3HD2 LEU 28 3HD2 LEU 28 -1.519 6.170 4.622 243 H GLN 29 H GLN 29 -6.797 5.898 1.371 244 HA GLN 29 HA GLN 29 -7.860 4.314 3.520 245 1HB GLN 29 2HB GLN 29 -9.037 5.302 0.937 246 2HB GLN 29 1HB GLN 29 -9.977 4.695 2.292 247 1HG GLN 29 2HG GLN 29 -9.033 6.472 3.728 248 2HG GLN 29 1HG GLN 29 -8.117 7.088 2.356 249 1HE2 GLN 29 1HE2 GLN 29 -11.047 6.027 1.053 250 2HE2 GLN 29 2HE2 GLN 29 -11.902 7.485 1.136 251 H ASN 30 H ASN 30 -7.025 3.630 0.163 252 HA ASN 30 HA ASN 30 -8.413 1.195 -0.195 253 1HB ASN 30 2HB ASN 30 -7.275 2.478 -1.947 254 2HB ASN 30 1HB ASN 30 -5.728 2.091 -1.208 255 1HD2 ASN 30 1HD2 ASN 30 -4.699 0.385 -2.255 256 2HD2 ASN 30 2HD2 ASN 30 -5.489 -0.923 -2.993 257 H LEU 31 H LEU 31 -5.384 1.880 1.478 258 HA LEU 31 HA LEU 31 -4.407 -0.775 1.725 259 1HB LEU 31 2HB LEU 31 -3.139 1.266 2.210 260 2HB LEU 31 1HB LEU 31 -4.204 1.592 3.569 261 HG LEU 31 HG LEU 31 -3.499 -0.492 4.660 262 1HD1 LEU 31 1HD1 LEU 31 -1.280 -1.413 3.417 263 2HD1 LEU 31 2HD1 LEU 31 -2.204 -0.879 2.012 264 3HD1 LEU 31 3HD1 LEU 31 -2.886 -2.074 3.116 265 1HD2 LEU 31 1HD2 LEU 31 -1.512 1.579 3.830 266 2HD2 LEU 31 2HD2 LEU 31 -0.906 0.152 4.671 267 3HD2 LEU 31 3HD2 LEU 31 -2.113 1.182 5.441 268 H PHE 32 H PHE 32 -6.874 0.982 3.538 269 HA PHE 32 HA PHE 32 -7.061 -1.012 5.635 270 1HB PHE 32 2HB PHE 32 -8.780 1.333 4.795 271 2HB PHE 32 1HB PHE 32 -9.051 0.391 6.263 272 HD1 PHE 32 1HD PHE 32 -6.605 -0.073 7.522 273 HD2 PHE 32 2HD PHE 32 -7.718 3.363 5.199 274 HE1 PHE 32 1HE PHE 32 -4.911 1.285 8.721 275 HE2 PHE 32 2HE PHE 32 -6.022 4.721 6.396 276 HZ PHE 32 HZ PHE 32 -4.619 3.681 8.158 277 H ILE 33 H ILE 33 -9.236 -0.003 2.969 278 HA ILE 33 HA ILE 33 -11.133 -2.119 3.340 279 HB ILE 33 HB ILE 33 -11.493 -0.012 2.066 280 1HG1 ILE 33 2HG1 ILE 33 -11.772 -2.517 0.373 281 2HG1 ILE 33 1HG1 ILE 33 -12.911 -2.000 1.616 282 1HG2 ILE 33 1HG2 ILE 33 -9.138 -0.139 1.035 283 2HG2 ILE 33 2HG2 ILE 33 -10.441 0.393 -0.027 284 3HG2 ILE 33 3HG2 ILE 33 -9.837 -1.261 -0.133 285 1HD1 ILE 33 1HD1 ILE 33 -13.917 -1.095 -0.269 286 2HD1 ILE 33 2HD1 ILE 33 -12.377 -0.808 -1.079 287 3HD1 ILE 33 3HD1 ILE 33 -12.897 0.257 0.224 288 H ASN 34 H ASN 34 -8.183 -1.865 1.370 289 HA ASN 34 HA ASN 34 -8.461 -4.297 -0.092 290 1HB ASN 34 2HB ASN 34 -6.878 -2.481 -0.606 291 2HB ASN 34 1HB ASN 34 -6.013 -2.801 0.898 292 1HD2 ASN 34 1HD2 ASN 34 -4.174 -4.043 0.559 293 2HD2 ASN 34 2HD2 ASN 34 -4.008 -5.242 -0.632 294 H PHE 35 H PHE 35 -6.887 -3.606 3.043 295 HA PHE 35 HA PHE 35 -5.783 -6.154 3.547 296 1HB PHE 35 2HB PHE 35 -5.435 -4.071 4.862 297 2HB PHE 35 1HB PHE 35 -7.083 -4.202 5.476 298 HD1 PHE 35 1HD PHE 35 -4.143 -6.503 5.025 299 HD2 PHE 35 2HD PHE 35 -7.260 -5.080 7.617 300 HE1 PHE 35 1HE PHE 35 -3.361 -8.040 6.809 301 HE2 PHE 35 2HE PHE 35 -6.478 -6.618 9.399 302 HZ PHE 35 HZ PHE 35 -4.528 -8.096 8.996 303 H CYS 36 H CYS 36 -9.108 -4.986 3.981 304 HA CYS 36 HA CYS 36 -10.078 -7.296 5.397 305 1HB CYS 36 2HB CYS 36 -11.169 -5.081 5.369 306 2HB CYS 36 1HB CYS 36 -11.465 -5.247 3.639 307 HG CYS 36 HG CYS 36 -12.658 -7.504 5.360 308 H LEU 37 H LEU 37 -9.632 -6.506 2.000 309 HA LEU 37 HA LEU 37 -11.197 -8.754 1.006 310 1HB LEU 37 2HB LEU 37 -10.927 -6.578 -0.152 311 2HB LEU 37 1HB LEU 37 -9.201 -6.895 -0.315 312 HG LEU 37 HG LEU 37 -11.278 -8.809 -1.398 313 1HD1 LEU 37 1HD1 LEU 37 -11.052 -7.705 -3.555 314 2HD1 LEU 37 2HD1 LEU 37 -9.890 -6.559 -2.881 315 3HD1 LEU 37 3HD1 LEU 37 -11.575 -6.517 -2.360 316 1HD2 LEU 37 1HD2 LEU 37 -8.314 -8.406 -1.631 317 2HD2 LEU 37 2HD2 LEU 37 -9.183 -9.082 -3.008 318 3HD2 LEU 37 3HD2 LEU 37 -9.223 -9.906 -1.450 319 H ILE 38 H ILE 38 -7.729 -7.981 1.362 320 HA ILE 38 HA ILE 38 -6.848 -10.531 0.252 321 HB ILE 38 HB ILE 38 -5.589 -8.385 0.186 322 1HG1 ILE 38 2HG1 ILE 38 -3.397 -9.333 0.821 323 2HG1 ILE 38 1HG1 ILE 38 -4.215 -10.595 1.743 324 1HG2 ILE 38 1HG2 ILE 38 -6.283 -8.250 2.875 325 2HG2 ILE 38 2HG2 ILE 38 -5.167 -7.174 2.035 326 3HG2 ILE 38 3HG2 ILE 38 -4.552 -8.582 2.900 327 1HD1 ILE 38 1HD1 ILE 38 -4.891 -10.194 -1.157 328 2HD1 ILE 38 2HD1 ILE 38 -5.039 -11.650 -0.173 329 3HD1 ILE 38 3HD1 ILE 38 -3.448 -11.106 -0.710 330 H LEU 39 H LEU 39 -7.968 -9.494 3.337 331 HA LEU 39 HA LEU 39 -6.501 -11.175 5.085 332 1HB LEU 39 2HB LEU 39 -7.826 -9.314 5.850 333 2HB LEU 39 1HB LEU 39 -9.284 -9.978 5.113 334 HG LEU 39 HG LEU 39 -9.151 -11.907 6.622 335 1HD1 LEU 39 1HD1 LEU 39 -6.836 -10.392 7.864 336 2HD1 LEU 39 2HD1 LEU 39 -6.708 -11.903 6.963 337 3HD1 LEU 39 3HD1 LEU 39 -7.552 -11.868 8.510 338 1HD2 LEU 39 1HD2 LEU 39 -9.792 -10.722 8.683 339 2HD2 LEU 39 2HD2 LEU 39 -10.463 -9.909 7.271 340 3HD2 LEU 39 3HD2 LEU 39 -9.040 -9.247 8.076 341 H ILE 40 H ILE 40 -8.858 -11.992 2.700 342 HA ILE 40 HA ILE 40 -8.828 -14.777 3.654 343 HB ILE 40 HB ILE 40 -11.259 -14.941 3.671 344 1HG1 ILE 40 2HG1 ILE 40 -11.644 -13.209 1.883 345 2HG1 ILE 40 1HG1 ILE 40 -12.711 -13.047 3.272 346 1HG2 ILE 40 1HG2 ILE 40 -10.006 -14.123 5.707 347 2HG2 ILE 40 2HG2 ILE 40 -11.707 -13.666 5.655 348 3HG2 ILE 40 3HG2 ILE 40 -10.462 -12.485 5.248 349 1HD1 ILE 40 1HD1 ILE 40 -10.579 -11.454 4.000 350 2HD1 ILE 40 2HD1 ILE 40 -12.067 -10.872 3.259 351 3HD1 ILE 40 3HD1 ILE 40 -10.655 -11.201 2.259 352 H PHE 41 H PHE 41 -9.747 -12.473 1.113 353 HA PHE 41 HA PHE 41 -10.646 -14.163 -0.913 354 1HB PHE 41 2HB PHE 41 -10.493 -11.705 -1.011 355 2HB PHE 41 1HB PHE 41 -8.734 -11.812 -1.080 356 HD1 PHE 41 1HD PHE 41 -11.646 -13.450 -2.806 357 HD2 PHE 41 2HD PHE 41 -7.820 -11.537 -3.197 358 HE1 PHE 41 1HE PHE 41 -11.758 -13.732 -5.267 359 HE2 PHE 41 2HE PHE 41 -7.932 -11.819 -5.658 360 HZ PHE 41 HZ PHE 41 -9.901 -12.915 -6.694 361 H LEU 42 H LEU 42 -7.347 -13.755 0.280 362 HA LEU 42 HA LEU 42 -5.928 -14.964 -1.855 363 1HB LEU 42 2HB LEU 42 -4.210 -15.372 -0.090 364 2HB LEU 42 1HB LEU 42 -4.877 -13.745 -0.021 365 HG LEU 42 HG LEU 42 -6.486 -14.614 1.758 366 1HD1 LEU 42 1HD1 LEU 42 -6.530 -16.857 1.998 367 2HD1 LEU 42 2HD1 LEU 42 -4.993 -16.688 2.844 368 3HD1 LEU 42 3HD1 LEU 42 -5.017 -17.060 1.119 369 1HD2 LEU 42 1HD2 LEU 42 -3.727 -13.853 1.906 370 2HD2 LEU 42 2HD2 LEU 42 -4.053 -15.035 3.176 371 3HD2 LEU 42 3HD2 LEU 42 -5.009 -13.557 3.081 372 H LEU 43 H LEU 43 -8.111 -16.394 0.408 373 HA LEU 43 HA LEU 43 -7.056 -19.117 -0.007 374 1HB LEU 43 2HB LEU 43 -7.858 -18.203 2.209 375 2HB LEU 43 1HB LEU 43 -9.477 -18.114 1.527 376 HG LEU 43 HG LEU 43 -9.068 -20.176 2.894 377 1HD1 LEU 43 1HD2 LEU 43 -10.512 -19.938 0.622 378 2HD1 LEU 43 2HD2 LEU 43 -10.444 -21.424 1.568 379 3HD1 LEU 43 3HD2 LEU 43 -9.417 -21.236 0.146 380 1HD2 LEU 43 1HD1 LEU 43 -7.514 -21.817 2.245 381 2HD2 LEU 43 2HD1 LEU 43 -6.634 -20.306 2.018 382 3HD2 LEU 43 3HD1 LEU 43 -7.333 -21.136 0.628 383 H LEU 44 H LEU 44 -9.977 -17.193 -0.684 384 HA LEU 44 HA LEU 44 -11.507 -19.210 -1.975 385 1HB LEU 44 2HB LEU 44 -11.372 -16.206 -2.377 386 2HB LEU 44 1HB LEU 44 -12.704 -17.232 -2.905 387 HG LEU 44 HG LEU 44 -11.775 -16.919 -0.033 388 1HD1 LEU 44 1HD1 LEU 44 -14.359 -15.983 -1.302 389 2HD1 LEU 44 2HD1 LEU 44 -12.954 -14.935 -1.110 390 3HD1 LEU 44 3HD1 LEU 44 -13.753 -15.608 0.312 391 1HD2 LEU 44 1HD2 LEU 44 -12.953 -18.798 0.357 392 2HD2 LEU 44 2HD2 LEU 44 -13.335 -18.930 -1.359 393 3HD2 LEU 44 3HD2 LEU 44 -14.392 -18.012 -0.290 394 H ILE 45 H ILE 45 -9.043 -16.982 -3.242 395 HA ILE 45 HA ILE 45 -9.401 -17.359 -6.012 396 HB ILE 45 HB ILE 45 -7.027 -16.678 -6.115 397 1HG1 ILE 45 2HG1 ILE 45 -7.089 -17.225 -3.128 398 2HG1 ILE 45 1HG1 ILE 45 -6.204 -18.169 -4.328 399 1HG2 ILE 45 1HG2 ILE 45 -7.468 -14.906 -4.006 400 2HG2 ILE 45 2HG2 ILE 45 -9.092 -15.383 -4.507 401 3HG2 ILE 45 3HG2 ILE 45 -7.978 -14.675 -5.678 402 1HD1 ILE 45 1HD1 ILE 45 -4.742 -16.519 -3.177 403 2HD1 ILE 45 2HD1 ILE 45 -5.766 -15.219 -3.784 404 3HD1 ILE 45 3HD1 ILE 45 -4.849 -16.217 -4.912 405 H CYS 46 H CYS 46 -8.101 -19.577 -3.634 406 HA CYS 46 HA CYS 46 -6.636 -21.243 -5.470 407 1HB CYS 46 2HB CYS 46 -6.207 -21.115 -3.066 408 2HB CYS 46 1HB CYS 46 -7.814 -21.758 -2.756 409 HG CYS 46 HG CYS 46 -5.466 -23.471 -3.211 410 H ILE 47 H ILE 47 -9.718 -21.861 -3.752 411 HA ILE 47 HA ILE 47 -10.381 -24.226 -5.176 412 HB ILE 47 HB ILE 47 -12.617 -23.813 -4.212 413 1HG1 ILE 47 2HG1 ILE 47 -11.473 -21.083 -3.536 414 2HG1 ILE 47 1HG1 ILE 47 -12.734 -21.393 -4.729 415 1HG2 ILE 47 1HG2 ILE 47 -11.937 -23.967 -1.975 416 2HG2 ILE 47 2HG2 ILE 47 -10.631 -22.804 -2.190 417 3HG2 ILE 47 3HG2 ILE 47 -10.474 -24.435 -2.840 418 1HD1 ILE 47 1HD1 ILE 47 -14.233 -21.167 -3.059 419 2HD1 ILE 47 2HD1 ILE 47 -12.957 -21.158 -1.839 420 3HD1 ILE 47 3HD1 ILE 47 -13.621 -22.689 -2.411 421 H ILE 48 H ILE 48 -10.716 -20.871 -6.153 422 HA ILE 48 HA ILE 48 -12.640 -21.589 -8.267 423 HB ILE 48 HB ILE 48 -12.772 -19.175 -8.602 424 1HG1 ILE 48 2HG1 ILE 48 -10.504 -19.022 -6.590 425 2HG1 ILE 48 1HG1 ILE 48 -10.362 -18.682 -8.313 426 1HG2 ILE 48 1HG2 ILE 48 -13.897 -18.740 -6.644 427 2HG2 ILE 48 2HG2 ILE 48 -12.587 -19.350 -5.632 428 3HG2 ILE 48 3HG2 ILE 48 -13.676 -20.478 -6.441 429 1HD1 ILE 48 1HD1 ILE 48 -10.754 -16.536 -7.593 430 2HD1 ILE 48 2HD1 ILE 48 -11.637 -17.067 -6.161 431 3HD1 ILE 48 3HD1 ILE 48 -12.432 -17.062 -7.735 432 H VAL 49 H VAL 49 -9.268 -20.497 -7.949 433 HA VAL 49 HA VAL 49 -8.921 -20.437 -10.880 434 HB VAL 49 HB VAL 49 -7.020 -20.068 -8.544 435 1HG1 VAL 49 1HG1 VAL 49 -6.708 -19.627 -11.524 436 2HG1 VAL 49 2HG1 VAL 49 -5.735 -20.672 -10.488 437 3HG1 VAL 49 3HG1 VAL 49 -5.624 -18.920 -10.326 438 1HG2 VAL 49 1HG2 VAL 49 -8.064 -18.074 -8.353 439 2HG2 VAL 49 2HG2 VAL 49 -9.027 -18.381 -9.796 440 3HG2 VAL 49 3HG2 VAL 49 -7.421 -17.668 -9.944 441 H MET 50 H MET 50 -8.710 -22.802 -8.399 442 HA MET 50 HA MET 50 -6.603 -24.384 -9.596 443 1HB MET 50 2HB MET 50 -6.969 -24.353 -7.214 444 2HB MET 50 1HB MET 50 -8.650 -24.814 -7.442 445 1HG MET 50 2HG MET 50 -7.322 -26.769 -6.790 446 2HG MET 50 1HG MET 50 -7.937 -26.937 -8.433 447 1HE MET 50 1HE MET 50 -4.705 -28.612 -7.494 448 2HE MET 50 2HE MET 50 -5.177 -28.814 -9.180 449 3HE MET 50 3HE MET 50 -6.414 -28.764 -7.925 450 H LEU 51 H LEU 51 -9.997 -23.988 -10.093 451 HA LEU 51 HA LEU 51 -10.336 -26.682 -11.289 452 1HB LEU 51 2HB LEU 51 -12.199 -24.316 -10.902 453 2HB LEU 51 1HB LEU 51 -12.693 -25.915 -11.459 454 HG LEU 51 HG LEU 51 -11.392 -25.305 -8.788 455 1HD1 LEU 51 1HD2 LEU 51 -13.831 -24.604 -9.174 456 2HD1 LEU 51 2HD2 LEU 51 -13.532 -25.685 -7.814 457 3HD1 LEU 51 3HD2 LEU 51 -14.189 -26.325 -9.321 458 1HD2 LEU 51 1HD1 LEU 51 -12.346 -27.790 -8.522 459 2HD2 LEU 51 2HD1 LEU 51 -10.729 -27.485 -9.155 460 3HD2 LEU 51 3HD1 LEU 51 -12.063 -27.814 -10.262 461 H LEU 52 H LEU 52 -9.322 -23.590 -12.305 462 HA LEU 52 HA LEU 52 -10.420 -23.867 -15.048 463 1HB LEU 52 2HB LEU 52 -8.706 -21.765 -13.682 464 2HB LEU 52 1HB LEU 52 -9.421 -21.605 -15.286 465 HG LEU 52 HG LEU 52 -10.966 -22.007 -12.709 466 1HD1 LEU 52 1HD2 LEU 52 -9.889 -19.657 -13.987 467 2HD1 LEU 52 2HD2 LEU 52 -10.817 -19.771 -12.491 468 3HD1 LEU 52 3HD2 LEU 52 -11.651 -19.599 -14.036 469 1HD2 LEU 52 1HD1 LEU 52 -11.643 -22.401 -15.487 470 2HD2 LEU 52 2HD1 LEU 52 -12.592 -21.069 -14.827 471 3HD2 LEU 52 3HD1 LEU 52 -12.648 -22.655 -14.060 Start of MODEL 6 1 1H MET 1 1HT MET 1 22.327 2.096 13.820 2 2H MET 1 2HT MET 1 21.090 2.271 14.971 3 H MET 1 H MET 1 21.166 3.012 14.948 4 3H MET 1 3HT MET 1 21.696 3.633 14.155 5 HA MET 1 HA MET 1 20.703 3.003 12.129 6 1HB MET 1 2HB MET 1 21.504 0.654 12.476 7 2HB MET 1 1HB MET 1 20.124 0.400 13.523 8 1HG MET 1 2HG MET 1 19.687 -0.432 11.248 9 2HG MET 1 1HG MET 1 18.618 0.894 11.662 10 1HE MET 1 1HE MET 1 19.294 -0.069 8.536 11 2HE MET 1 2HE MET 1 19.015 1.574 7.963 12 3HE MET 1 3HE MET 1 18.042 0.931 9.284 13 H ASP 2 H ASP 2 19.854 4.229 14.706 14 HA ASP 2 HA ASP 2 16.912 3.635 14.592 15 1HB ASP 2 2HB ASP 2 16.920 4.381 16.950 16 2HB ASP 2 1HB ASP 2 18.079 3.076 16.707 17 H LYS 3 H LYS 3 19.398 6.072 14.361 18 HA LYS 3 HA LYS 3 17.344 8.235 14.234 19 1HB LYS 3 2HB LYS 3 19.255 9.726 14.575 20 2HB LYS 3 1HB LYS 3 19.248 8.465 15.805 21 1HG LYS 3 2HG LYS 3 20.910 7.183 14.496 22 2HG LYS 3 1HG LYS 3 20.924 8.458 13.278 23 1HD LYS 3 2HD LYS 3 21.618 8.850 16.195 24 2HD LYS 3 1HD LYS 3 22.802 8.666 14.901 25 1HE LYS 3 2HE LYS 3 20.720 10.876 15.087 26 2HE LYS 3 1HE LYS 3 22.460 11.061 15.381 27 1HZ LYS 3 1HZ LYS 3 22.710 9.971 13.097 28 2HZ LYS 3 2HZ LYS 3 22.227 11.598 13.140 29 3HZ LYS 3 3HZ LYS 3 21.082 10.376 12.858 30 H VAL 4 H VAL 4 20.006 6.738 12.415 31 HA VAL 4 HA VAL 4 20.201 8.435 10.199 32 HB VAL 4 HB VAL 4 20.183 5.428 10.320 33 1HG1 VAL 4 1HG1 VAL 4 20.944 7.398 8.206 34 2HG1 VAL 4 2HG1 VAL 4 20.189 5.814 8.036 35 3HG1 VAL 4 3HG1 VAL 4 21.916 5.934 8.373 36 1HG2 VAL 4 1HG2 VAL 4 21.793 7.029 11.754 37 2HG2 VAL 4 2HG2 VAL 4 22.687 7.034 10.232 38 3HG2 VAL 4 3HG2 VAL 4 22.360 5.510 11.059 39 H GLN 5 H GLN 5 17.578 6.318 11.101 40 HA GLN 5 HA GLN 5 16.282 6.257 8.511 41 1HB GLN 5 2HB GLN 5 15.250 5.742 11.318 42 2HB GLN 5 1HB GLN 5 14.487 5.198 9.823 43 1HG GLN 5 2HG GLN 5 17.251 4.400 10.783 44 2HG GLN 5 1HG GLN 5 15.811 3.383 10.843 45 1HE2 GLN 5 1HE2 GLN 5 18.539 3.915 9.009 46 2HE2 GLN 5 2HE2 GLN 5 17.970 3.380 7.501 47 H TYR 6 H TYR 6 15.538 7.948 11.589 48 HA TYR 6 HA TYR 6 13.344 9.473 10.621 49 1HB TYR 6 2HB TYR 6 15.398 10.019 12.788 50 2HB TYR 6 1HB TYR 6 13.868 10.873 12.632 51 HD1 TYR 6 1HD TYR 6 14.089 9.782 15.148 52 HD2 TYR 6 2HD TYR 6 13.116 7.644 11.545 53 HE1 TYR 6 1HE TYR 6 12.968 8.025 16.487 54 HE2 TYR 6 2HE TYR 6 12.000 5.891 12.890 55 HH TYR 6 HH TYR 6 10.900 5.752 15.179 56 H LEU 7 H LEU 7 16.807 10.389 10.895 57 HA LEU 7 HA LEU 7 16.540 13.021 9.855 58 1HB LEU 7 2HB LEU 7 18.741 10.970 9.980 59 2HB LEU 7 1HB LEU 7 19.015 12.513 9.176 60 HG LEU 7 HG LEU 7 19.710 12.603 11.550 61 1HD1 LEU 7 1HD1 LEU 7 18.426 14.505 10.194 62 2HD1 LEU 7 2HD1 LEU 7 18.866 14.728 11.886 63 3HD1 LEU 7 3HD1 LEU 7 17.223 14.256 11.458 64 1HD2 LEU 7 1HD2 LEU 7 18.085 12.399 13.338 65 2HD2 LEU 7 2HD2 LEU 7 18.025 10.933 12.366 66 3HD2 LEU 7 3HD2 LEU 7 16.778 12.164 12.179 67 H THR 8 H THR 8 17.317 9.970 8.156 68 HA THR 8 HA THR 8 17.389 11.130 5.527 69 HB THR 8 HB THR 8 16.791 8.320 6.483 70 HG1 THR 8 1HG THR 8 18.919 8.064 6.584 71 1HG2 THR 8 1HG2 THR 8 17.979 9.188 3.844 72 2HG2 THR 8 2HG2 THR 8 16.256 8.883 4.062 73 3HG2 THR 8 3HG2 THR 8 17.418 7.578 4.297 74 H ARG 9 H ARG 9 14.909 9.062 7.083 75 HA ARG 9 HA ARG 9 12.887 9.281 5.151 76 1HB ARG 9 2HB ARG 9 12.803 9.092 8.149 77 2HB ARG 9 1HB ARG 9 11.399 8.813 7.133 78 1HG ARG 9 2HG ARG 9 14.013 7.283 6.935 79 2HG ARG 9 1HG ARG 9 12.565 6.693 7.751 80 1HD ARG 9 2HD ARG 9 11.306 6.824 5.624 81 2HD ARG 9 1HD ARG 9 12.762 7.414 4.802 82 HE ARG 9 HE ARG 9 12.263 4.667 5.454 83 1HH1 ARG 9 1HH2 ARG 9 14.472 5.384 7.390 84 2HH1 ARG 9 2HH2 ARG 9 15.884 5.024 6.453 85 1HH2 ARG 9 1HH1 ARG 9 14.184 4.946 3.432 86 2HH2 ARG 9 2HH1 ARG 9 15.722 4.777 4.212 87 H SER 10 H SER 10 13.691 11.496 7.806 88 HA SER 10 HA SER 10 11.451 13.264 7.383 89 1HB SER 10 2HB SER 10 12.745 14.720 8.892 90 2HB SER 10 1HB SER 10 12.778 13.060 9.476 91 HG SER 10 HG SER 10 14.845 14.368 9.253 92 H ALA 11 H ALA 11 14.583 12.869 5.891 93 HA ALA 11 HA ALA 11 14.724 15.534 4.741 94 1HB ALA 11 1HB ALA 11 16.706 14.202 5.231 95 2HB ALA 11 2HB ALA 11 16.614 14.463 3.489 96 3HB ALA 11 3HB ALA 11 16.132 12.911 4.174 97 H ILE 12 H ILE 12 13.534 12.376 3.670 98 HA ILE 12 HA ILE 12 12.956 13.435 0.979 99 HB ILE 12 HB ILE 12 14.013 11.229 1.266 100 1HG1 ILE 12 2HG1 ILE 12 12.414 9.909 -0.087 101 2HG1 ILE 12 1HG1 ILE 12 11.136 11.058 0.310 102 1HG2 ILE 12 1HG2 ILE 12 11.725 9.770 2.237 103 2HG2 ILE 12 2HG2 ILE 12 12.153 11.027 3.395 104 3HG2 ILE 12 3HG2 ILE 12 13.355 9.833 2.905 105 1HD1 ILE 12 1HD1 ILE 12 12.613 11.278 -1.927 106 2HD1 ILE 12 2HD1 ILE 12 13.648 12.186 -0.823 107 3HD1 ILE 12 3HD1 ILE 12 11.976 12.687 -1.077 108 H ARG 13 H ARG 13 11.356 12.691 3.985 109 HA ARG 13 HA ARG 13 8.693 12.282 3.081 110 1HB ARG 13 2HB ARG 13 9.552 11.898 5.373 111 2HB ARG 13 1HB ARG 13 9.755 13.637 5.581 112 1HG ARG 13 2HG ARG 13 7.647 12.885 6.605 113 2HG ARG 13 1HG ARG 13 7.327 13.953 5.241 114 1HD ARG 13 2HD ARG 13 5.861 11.924 5.214 115 2HD ARG 13 1HD ARG 13 6.912 12.000 3.788 116 HE ARG 13 HE ARG 13 7.919 10.026 4.575 117 1HH1 ARG 13 1HH1 ARG 13 5.858 11.147 7.002 118 2HH1 ARG 13 2HH1 ARG 13 6.677 10.345 8.300 119 1HH2 ARG 13 1HH2 ARG 13 9.332 9.301 6.333 120 2HH2 ARG 13 2HH2 ARG 13 8.644 9.301 7.921 121 H ARG 14 H ARG 14 10.647 15.171 3.284 122 HA ARG 14 HA ARG 14 8.579 17.144 3.341 123 1HB ARG 14 2HB ARG 14 11.346 17.159 2.096 124 2HB ARG 14 1HB ARG 14 10.395 18.595 2.470 125 1HG ARG 14 2HG ARG 14 10.366 17.938 4.862 126 2HG ARG 14 1HG ARG 14 11.366 16.538 4.475 127 1HD ARG 14 2HD ARG 14 12.165 19.434 3.992 128 2HD ARG 14 1HD ARG 14 12.766 18.408 5.310 129 HE ARG 14 HE ARG 14 13.118 16.995 2.863 130 1HH1 ARG 14 1HH1 ARG 14 15.085 17.961 5.140 131 2HH1 ARG 14 2HH1 ARG 14 16.286 18.730 4.156 132 1HH2 ARG 14 1HH2 ARG 14 14.306 18.776 1.309 133 2HH2 ARG 14 2HH2 ARG 14 15.845 19.191 1.986 134 H ALA 15 H ALA 15 9.790 15.087 0.790 135 HA ALA 15 HA ALA 15 8.352 16.659 -1.268 136 1HB ALA 15 1HB ALA 15 9.716 14.389 -2.318 137 2HB ALA 15 2HB ALA 15 10.767 15.123 -1.107 138 3HB ALA 15 3HB ALA 15 10.178 16.084 -2.462 139 H SER 16 H SER 16 8.509 13.423 0.191 140 HA SER 16 HA SER 16 6.470 12.279 -1.491 141 1HB SER 16 2HB SER 16 8.217 10.985 -0.368 142 2HB SER 16 1HB SER 16 7.589 11.497 1.188 143 HG SER 16 HG SER 16 6.890 9.372 0.332 144 H THR 17 H THR 17 6.210 14.595 0.909 145 HA THR 17 HA THR 17 3.402 13.790 1.463 146 HB THR 17 HB THR 17 5.414 15.145 3.281 147 HG1 THR 17 1HG THR 17 4.188 12.603 3.492 148 1HG2 THR 17 1HG2 THR 17 3.303 14.265 4.824 149 2HG2 THR 17 2HG2 THR 17 2.495 14.854 3.372 150 3HG2 THR 17 3HG2 THR 17 3.546 15.930 4.293 151 H ILE 18 H ILE 18 5.368 16.053 -0.013 152 HA ILE 18 HA ILE 18 3.393 18.226 0.381 153 HB ILE 18 HB ILE 18 6.294 18.283 -0.404 154 1HG1 ILE 18 2HG1 ILE 18 5.919 17.704 1.965 155 2HG1 ILE 18 1HG1 ILE 18 6.614 19.319 1.819 156 1HG2 ILE 18 1HG2 ILE 18 4.154 20.273 -0.549 157 2HG2 ILE 18 2HG2 ILE 18 5.760 20.302 -1.279 158 3HG2 ILE 18 3HG2 ILE 18 5.540 20.828 0.390 159 1HD1 ILE 18 1HD1 ILE 18 4.873 20.106 3.006 160 2HD1 ILE 18 2HD1 ILE 18 4.076 18.534 2.967 161 3HD1 ILE 18 3HD1 ILE 18 3.826 19.683 1.652 162 H GLU 19 H GLU 19 4.770 15.999 -1.861 163 HA GLU 19 HA GLU 19 3.969 17.591 -4.207 164 1HB GLU 19 2HB GLU 19 5.327 14.933 -3.884 165 2HB GLU 19 1HB GLU 19 5.119 15.770 -5.417 166 1HG GLU 19 2HG GLU 19 6.630 16.839 -3.013 167 2HG GLU 19 1HG GLU 19 7.367 16.185 -4.475 168 H MET 20 H MET 20 3.035 14.691 -2.421 169 HA MET 20 HA MET 20 0.588 14.527 -4.131 170 1HB MET 20 2HB MET 20 2.352 12.281 -3.187 171 2HB MET 20 1HB MET 20 0.862 12.075 -4.102 172 1HG MET 20 2HG MET 20 1.830 13.424 -5.941 173 2HG MET 20 1HG MET 20 3.334 13.566 -5.031 174 1HE MET 20 1HE MET 20 1.004 10.339 -5.064 175 2HE MET 20 2HE MET 20 1.462 9.695 -6.639 176 3HE MET 20 3HE MET 20 0.720 11.290 -6.529 177 HA PRO 21 HA PRO 21 -0.090 14.204 0.541 178 1HB PRO 21 2HB PRO 21 -1.227 16.656 0.972 179 2HB PRO 21 1HB PRO 21 0.512 16.361 1.115 180 1HG PRO 21 2HG PRO 21 -1.006 17.595 -1.099 181 2HG PRO 21 1HG PRO 21 0.579 18.023 -0.451 182 1HD PRO 21 2HD PRO 21 0.228 16.603 -2.759 183 2HD PRO 21 1HD PRO 21 1.666 16.462 -1.724 184 H GLN 22 H GLN 22 -2.073 15.808 -1.961 185 HA GLN 22 HA GLN 22 -4.611 15.092 -0.759 186 1HB GLN 22 2HB GLN 22 -3.833 15.903 -3.550 187 2HB GLN 22 1HB GLN 22 -5.475 15.912 -2.921 188 1HG GLN 22 2HG GLN 22 -3.155 17.532 -1.825 189 2HG GLN 22 1HG GLN 22 -4.476 18.167 -2.806 190 1HE2 GLN 22 1HE2 GLN 22 -3.497 17.890 0.369 191 2HE2 GLN 22 2HE2 GLN 22 -5.013 17.934 1.130 192 H GLN 23 H GLN 23 -2.822 13.846 -3.591 193 HA GLN 23 HA GLN 23 -4.618 11.720 -4.211 194 1HB GLN 23 2HB GLN 23 -2.723 12.815 -5.544 195 2HB GLN 23 1HB GLN 23 -1.643 11.791 -4.619 196 1HG GLN 23 2HG GLN 23 -3.956 10.654 -6.185 197 2HG GLN 23 1HG GLN 23 -2.376 10.912 -6.916 198 1HE2 GLN 23 1HE2 GLN 23 -0.900 9.231 -6.687 199 2HE2 GLN 23 2HE2 GLN 23 -1.041 7.957 -5.575 200 H ALA 24 H ALA 24 -1.515 11.662 -2.411 201 HA ALA 24 HA ALA 24 -1.542 8.956 -1.625 202 1HB ALA 24 1HB ALA 24 -0.079 9.762 0.202 203 2HB ALA 24 2HB ALA 24 -0.624 11.412 -0.094 204 3HB ALA 24 3HB ALA 24 0.315 10.561 -1.319 205 H ARG 25 H ARG 25 -3.187 11.757 -0.168 206 HA ARG 25 HA ARG 25 -4.154 10.457 2.179 207 1HB ARG 25 2HB ARG 25 -4.104 12.880 1.827 208 2HB ARG 25 1HB ARG 25 -5.275 12.707 0.527 209 1HG ARG 25 2HG ARG 25 -6.935 11.811 2.100 210 2HG ARG 25 1HG ARG 25 -5.764 11.932 3.412 211 1HD ARG 25 2HD ARG 25 -7.317 13.870 3.425 212 2HD ARG 25 1HD ARG 25 -5.661 14.399 3.069 213 HE ARG 25 HE ARG 25 -6.898 13.743 0.601 214 1HH1 ARG 25 1HH1 ARG 25 -6.536 16.222 2.945 215 2HH1 ARG 25 2HH1 ARG 25 -7.441 17.394 2.048 216 1HH2 ARG 25 1HH2 ARG 25 -8.337 15.187 -0.469 217 2HH2 ARG 25 2HH2 ARG 25 -8.456 16.811 0.122 218 H GLN 26 H GLN 26 -5.684 10.973 -1.003 219 HA GLN 26 HA GLN 26 -8.112 9.581 -0.439 220 1HB GLN 26 2HB GLN 26 -6.605 10.092 -2.993 221 2HB GLN 26 1HB GLN 26 -8.298 9.613 -2.912 222 1HG GLN 26 2HG GLN 26 -7.123 12.105 -1.655 223 2HG GLN 26 1HG GLN 26 -8.046 12.072 -3.158 224 1HE2 GLN 26 1HE2 GLN 26 -8.401 12.628 0.126 225 2HE2 GLN 26 2HE2 GLN 26 -10.054 12.279 0.282 226 H ASN 27 H ASN 27 -5.253 8.536 -2.300 227 HA ASN 27 HA ASN 27 -5.951 5.879 -2.820 228 1HB ASN 27 2HB ASN 27 -3.961 7.114 -3.624 229 2HB ASN 27 1HB ASN 27 -3.272 6.985 -2.016 230 1HD2 ASN 27 1HD2 ASN 27 -4.989 4.105 -2.647 231 2HD2 ASN 27 2HD2 ASN 27 -3.685 3.175 -3.191 232 H LEU 28 H LEU 28 -4.642 7.257 0.179 233 HA LEU 28 HA LEU 28 -3.996 4.935 1.610 234 1HB LEU 28 2HB LEU 28 -3.601 7.228 2.361 235 2HB LEU 28 1HB LEU 28 -5.334 7.469 2.527 236 HG LEU 28 HG LEU 28 -5.438 5.686 4.223 237 1HD1 LEU 28 1HD1 LEU 28 -3.021 5.061 5.104 238 2HD1 LEU 28 2HD1 LEU 28 -2.555 5.434 3.445 239 3HD1 LEU 28 3HD1 LEU 28 -3.741 4.168 3.765 240 1HD2 LEU 28 1HD2 LEU 28 -3.421 7.001 5.660 241 2HD2 LEU 28 2HD2 LEU 28 -5.129 7.437 5.608 242 3HD2 LEU 28 3HD2 LEU 28 -3.993 8.192 4.491 243 H GLN 29 H GLN 29 -7.171 6.293 0.903 244 HA GLN 29 HA GLN 29 -8.656 4.672 2.755 245 1HB GLN 29 2HB GLN 29 -9.461 6.006 0.186 246 2HB GLN 29 1HB GLN 29 -10.562 5.498 1.458 247 1HG GLN 29 2HG GLN 29 -8.359 7.562 1.765 248 2HG GLN 29 1HG GLN 29 -10.074 7.924 1.588 249 1HE2 GLN 29 1HE2 GLN 29 -11.122 8.248 3.545 250 2HE2 GLN 29 2HE2 GLN 29 -10.662 7.562 5.029 251 H ASN 30 H ASN 30 -7.177 3.973 -0.277 252 HA ASN 30 HA ASN 30 -8.998 1.880 -1.106 253 1HB ASN 30 2HB ASN 30 -7.569 3.236 -2.602 254 2HB ASN 30 1HB ASN 30 -6.159 2.498 -1.864 255 1HD2 ASN 30 1HD2 ASN 30 -8.609 0.126 -2.035 256 2HD2 ASN 30 2HD2 ASN 30 -8.123 -0.599 -3.484 257 H LEU 31 H LEU 31 -5.724 1.890 0.335 258 HA LEU 31 HA LEU 31 -5.267 -0.865 0.506 259 1HB LEU 31 2HB LEU 31 -3.673 0.915 1.066 260 2HB LEU 31 1HB LEU 31 -4.632 1.307 2.486 261 HG LEU 31 HG LEU 31 -4.244 -0.944 3.399 262 1HD1 LEU 31 1HD1 LEU 31 -3.223 -1.355 0.672 263 2HD1 LEU 31 2HD1 LEU 31 -3.833 -2.535 1.833 264 3HD1 LEU 31 3HD1 LEU 31 -2.158 -1.992 1.925 265 1HD2 LEU 31 1HD2 LEU 31 -1.603 0.250 2.524 266 2HD2 LEU 31 2HD2 LEU 31 -1.947 -0.634 4.011 267 3HD2 LEU 31 3HD2 LEU 31 -2.614 0.981 3.770 268 H PHE 32 H PHE 32 -7.379 1.140 2.485 269 HA PHE 32 HA PHE 32 -7.777 -0.645 4.660 270 1HB PHE 32 2HB PHE 32 -8.425 1.764 4.515 271 2HB PHE 32 1HB PHE 32 -9.698 1.323 3.377 272 HD1 PHE 32 1HD PHE 32 -11.309 -0.651 4.229 273 HD2 PHE 32 2HD PHE 32 -8.958 1.896 6.768 274 HE1 PHE 32 1HE PHE 32 -12.789 -1.187 6.140 275 HE2 PHE 32 2HE PHE 32 -10.445 1.362 8.677 276 HZ PHE 32 HZ PHE 32 -12.360 -0.180 8.363 277 H ILE 33 H ILE 33 -9.457 -0.362 1.525 278 HA ILE 33 HA ILE 33 -11.261 -2.589 2.163 279 HB ILE 33 HB ILE 33 -10.733 -0.933 -0.294 280 1HG1 ILE 33 2HG1 ILE 33 -13.061 -0.091 0.227 281 2HG1 ILE 33 1HG1 ILE 33 -12.966 -0.977 1.746 282 1HG2 ILE 33 1HG2 ILE 33 -12.854 -1.956 -1.165 283 2HG2 ILE 33 2HG2 ILE 33 -12.788 -3.100 0.176 284 3HG2 ILE 33 3HG2 ILE 33 -11.514 -3.095 -1.045 285 1HD1 ILE 33 1HD1 ILE 33 -10.793 0.959 0.997 286 2HD1 ILE 33 2HD1 ILE 33 -11.283 0.409 2.599 287 3HD1 ILE 33 3HD1 ILE 33 -12.294 1.549 1.712 288 H ASN 34 H ASN 34 -8.620 -2.004 -0.175 289 HA ASN 34 HA ASN 34 -8.468 -4.559 -1.342 290 1HB ASN 34 2HB ASN 34 -7.217 -2.502 -1.986 291 2HB ASN 34 1HB ASN 34 -6.224 -2.675 -0.542 292 1HD2 ASN 34 1HD2 ASN 34 -6.914 -5.808 -1.731 293 2HD2 ASN 34 2HD2 ASN 34 -5.497 -6.024 -2.629 294 H PHE 35 H PHE 35 -7.216 -3.423 1.780 295 HA PHE 35 HA PHE 35 -5.616 -5.711 2.411 296 1HB PHE 35 2HB PHE 35 -5.487 -3.506 3.505 297 2HB PHE 35 1HB PHE 35 -7.115 -3.716 4.143 298 HD1 PHE 35 1HD PHE 35 -7.478 -5.960 5.553 299 HD2 PHE 35 2HD PHE 35 -3.675 -4.093 4.833 300 HE1 PHE 35 1HE PHE 35 -6.529 -7.136 7.515 301 HE2 PHE 35 2HE PHE 35 -2.729 -5.268 6.800 302 HZ PHE 35 HZ PHE 35 -4.156 -6.789 8.143 303 H CYS 36 H CYS 36 -9.031 -4.922 3.083 304 HA CYS 36 HA CYS 36 -9.483 -7.432 4.492 305 1HB CYS 36 2HB CYS 36 -10.632 -5.315 5.039 306 2HB CYS 36 1HB CYS 36 -11.347 -5.288 3.426 307 HG CYS 36 HG CYS 36 -12.168 -7.874 4.525 308 H LEU 37 H LEU 37 -9.260 -6.611 1.216 309 HA LEU 37 HA LEU 37 -11.148 -8.752 0.402 310 1HB LEU 37 2HB LEU 37 -11.367 -6.391 -0.468 311 2HB LEU 37 1HB LEU 37 -9.787 -6.579 -1.221 312 HG LEU 37 HG LEU 37 -11.707 -6.989 -2.784 313 1HD1 LEU 37 1HD2 LEU 37 -9.324 -8.312 -2.630 314 2HD1 LEU 37 2HD2 LEU 37 -10.480 -8.504 -3.948 315 3HD1 LEU 37 3HD2 LEU 37 -10.462 -9.660 -2.616 316 1HD2 LEU 37 1HD1 LEU 37 -12.142 -9.498 -1.150 317 2HD2 LEU 37 2HD1 LEU 37 -13.092 -8.936 -2.527 318 3HD2 LEU 37 3HD1 LEU 37 -13.143 -8.055 -0.998 319 H ILE 38 H ILE 38 -7.794 -7.667 0.243 320 HA ILE 38 HA ILE 38 -6.889 -9.717 -1.598 321 HB ILE 38 HB ILE 38 -5.779 -7.523 -1.158 322 1HG1 ILE 38 2HG1 ILE 38 -3.472 -8.409 -1.042 323 2HG1 ILE 38 1HG1 ILE 38 -4.097 -9.956 -0.471 324 1HG2 ILE 38 1HG2 ILE 38 -4.767 -8.709 1.423 325 2HG2 ILE 38 2HG2 ILE 38 -6.254 -7.762 1.390 326 3HG2 ILE 38 3HG2 ILE 38 -4.729 -7.029 0.895 327 1HD1 ILE 38 1HD1 ILE 38 -3.648 -9.373 -3.102 328 2HD1 ILE 38 2HD1 ILE 38 -5.353 -8.952 -2.950 329 3HD1 ILE 38 3HD1 ILE 38 -4.807 -10.579 -2.544 330 H LEU 39 H LEU 39 -7.038 -9.444 1.954 331 HA LEU 39 HA LEU 39 -5.537 -11.826 2.523 332 1HB LEU 39 2HB LEU 39 -7.668 -10.319 4.065 333 2HB LEU 39 1HB LEU 39 -6.584 -11.520 4.766 334 HG LEU 39 HG LEU 39 -5.720 -8.953 3.403 335 1HD1 LEU 39 1HD2 LEU 39 -5.947 -9.806 6.294 336 2HD1 LEU 39 2HD2 LEU 39 -6.620 -8.368 5.526 337 3HD1 LEU 39 3HD2 LEU 39 -4.882 -8.492 5.790 338 1HD2 LEU 39 1HD1 LEU 39 -4.001 -10.547 3.045 339 2HD2 LEU 39 2HD1 LEU 39 -4.228 -11.270 4.637 340 3HD2 LEU 39 3HD1 LEU 39 -3.495 -9.672 4.490 341 H ILE 40 H ILE 40 -8.850 -11.296 1.561 342 HA ILE 40 HA ILE 40 -9.641 -14.010 2.385 343 HB ILE 40 HB ILE 40 -11.102 -11.635 1.267 344 1HG1 ILE 40 2HG1 ILE 40 -12.248 -11.737 3.514 345 2HG1 ILE 40 1HG1 ILE 40 -11.095 -12.984 3.979 346 1HG2 ILE 40 1HG2 ILE 40 -11.857 -14.393 1.173 347 2HG2 ILE 40 2HG2 ILE 40 -12.788 -12.987 0.657 348 3HG2 ILE 40 3HG2 ILE 40 -12.908 -13.562 2.320 349 1HD1 ILE 40 1HD1 ILE 40 -9.340 -11.500 4.129 350 2HD1 ILE 40 2HD1 ILE 40 -10.661 -10.393 4.498 351 3HD1 ILE 40 3HD1 ILE 40 -9.985 -10.447 2.871 352 H PHE 41 H PHE 41 -9.098 -12.083 -0.524 353 HA PHE 41 HA PHE 41 -10.178 -13.849 -2.462 354 1HB PHE 41 2HB PHE 41 -9.459 -11.531 -2.857 355 2HB PHE 41 1HB PHE 41 -7.784 -11.990 -2.559 356 HD1 PHE 41 1HD PHE 41 -10.651 -13.308 -4.606 357 HD2 PHE 41 2HD PHE 41 -6.492 -12.242 -4.472 358 HE1 PHE 41 1HE PHE 41 -10.407 -13.964 -6.985 359 HE2 PHE 41 2HE PHE 41 -6.247 -12.899 -6.852 360 HZ PHE 41 HZ PHE 41 -8.204 -13.759 -8.108 361 H LEU 42 H LEU 42 -6.865 -13.688 -1.118 362 HA LEU 42 HA LEU 42 -5.748 -15.771 -2.697 363 1HB LEU 42 2HB LEU 42 -4.013 -15.769 -0.915 364 2HB LEU 42 1HB LEU 42 -4.461 -14.137 -1.397 365 HG LEU 42 HG LEU 42 -6.099 -14.160 0.583 366 1HD1 LEU 42 1HD2 LEU 42 -4.897 -16.820 0.802 367 2HD1 LEU 42 2HD2 LEU 42 -6.336 -16.177 1.593 368 3HD1 LEU 42 3HD2 LEU 42 -4.742 -15.891 2.292 369 1HD2 LEU 42 1HD1 LEU 42 -3.110 -14.108 0.704 370 2HD2 LEU 42 2HD1 LEU 42 -3.997 -14.039 2.226 371 3HD2 LEU 42 3HD1 LEU 42 -4.264 -12.807 0.993 372 H LEU 43 H LEU 43 -8.033 -15.960 -0.125 373 HA LEU 43 HA LEU 43 -7.344 -18.744 0.544 374 1HB LEU 43 2HB LEU 43 -8.002 -16.964 2.213 375 2HB LEU 43 1HB LEU 43 -9.611 -16.967 1.495 376 HG LEU 43 HG LEU 43 -8.285 -19.433 2.657 377 1HD1 LEU 43 1HD2 LEU 43 -9.629 -19.102 4.633 378 2HD1 LEU 43 2HD2 LEU 43 -10.439 -17.712 3.911 379 3HD1 LEU 43 3HD2 LEU 43 -8.733 -17.612 4.343 380 1HD2 LEU 43 1HD1 LEU 43 -9.953 -20.381 1.430 381 2HD2 LEU 43 2HD1 LEU 43 -10.835 -18.863 1.275 382 3HD2 LEU 43 3HD1 LEU 43 -10.986 -19.824 2.746 383 H LEU 44 H LEU 44 -9.900 -16.896 -1.088 384 HA LEU 44 HA LEU 44 -11.678 -19.110 -1.525 385 1HB LEU 44 2HB LEU 44 -11.282 -16.481 -2.985 386 2HB LEU 44 1HB LEU 44 -12.707 -17.512 -3.126 387 HG LEU 44 HG LEU 44 -11.713 -16.249 -0.554 388 1HD1 LEU 44 1HD1 LEU 44 -14.379 -15.545 -1.536 389 2HD1 LEU 44 2HD1 LEU 44 -13.099 -15.056 -2.646 390 3HD1 LEU 44 3HD1 LEU 44 -13.079 -14.495 -0.973 391 1HD2 LEU 44 1HD2 LEU 44 -13.983 -17.048 0.256 392 2HD2 LEU 44 2HD2 LEU 44 -12.815 -18.331 -0.065 393 3HD2 LEU 44 3HD2 LEU 44 -14.096 -17.993 -1.228 394 H ILE 45 H ILE 45 -9.229 -17.552 -3.621 395 HA ILE 45 HA ILE 45 -9.640 -19.119 -5.943 396 HB ILE 45 HB ILE 45 -7.321 -18.405 -6.475 397 1HG1 ILE 45 2HG1 ILE 45 -7.309 -17.447 -3.593 398 2HG1 ILE 45 1HG1 ILE 45 -6.365 -18.796 -4.225 399 1HG2 ILE 45 1HG2 ILE 45 -9.015 -16.312 -5.076 400 2HG2 ILE 45 2HG2 ILE 45 -9.147 -16.799 -6.767 401 3HG2 ILE 45 3HG2 ILE 45 -7.701 -15.967 -6.197 402 1HD1 ILE 45 1HD1 ILE 45 -6.127 -15.874 -4.984 403 2HD1 ILE 45 2HD1 ILE 45 -5.338 -17.174 -5.878 404 3HD1 ILE 45 3HD1 ILE 45 -4.911 -16.877 -4.192 405 H CYS 46 H CYS 46 -7.966 -19.896 -2.955 406 HA CYS 46 HA CYS 46 -6.527 -22.173 -4.013 407 1HB CYS 46 2HB CYS 46 -5.799 -20.848 -2.086 408 2HB CYS 46 1HB CYS 46 -7.250 -21.333 -1.222 409 HG CYS 46 HG CYS 46 -4.960 -22.893 -0.846 410 H ILE 47 H ILE 47 -9.692 -21.694 -2.553 411 HA ILE 47 HA ILE 47 -10.076 -24.609 -2.323 412 HB ILE 47 HB ILE 47 -12.083 -23.977 -1.068 413 1HG1 ILE 47 2HG1 ILE 47 -11.331 -21.127 -1.797 414 2HG1 ILE 47 1HG1 ILE 47 -12.695 -22.014 -2.473 415 1HG2 ILE 47 1HG2 ILE 47 -10.286 -21.973 0.072 416 2HG2 ILE 47 2HG2 ILE 47 -9.446 -23.465 -0.353 417 3HG2 ILE 47 3HG2 ILE 47 -10.823 -23.511 0.749 418 1HD1 ILE 47 1HD1 ILE 47 -12.281 -21.353 0.457 419 2HD1 ILE 47 2HD1 ILE 47 -13.630 -22.281 -0.194 420 3HD1 ILE 47 3HD1 ILE 47 -13.443 -20.581 -0.623 421 H ILE 48 H ILE 48 -10.382 -22.473 -4.809 422 HA ILE 48 HA ILE 48 -12.816 -23.832 -5.851 423 HB ILE 48 HB ILE 48 -13.157 -21.789 -7.186 424 1HG1 ILE 48 2HG1 ILE 48 -10.661 -20.806 -5.763 425 2HG1 ILE 48 1HG1 ILE 48 -10.769 -21.212 -7.477 426 1HG2 ILE 48 1HG2 ILE 48 -14.287 -21.031 -5.397 427 2HG2 ILE 48 2HG2 ILE 48 -12.799 -20.330 -4.760 428 3HG2 ILE 48 3HG2 ILE 48 -13.250 -21.979 -4.331 429 1HD1 ILE 48 1HD1 ILE 48 -12.899 -19.473 -7.104 430 2HD1 ILE 48 2HD1 ILE 48 -11.337 -19.047 -7.803 431 3HD1 ILE 48 3HD1 ILE 48 -11.634 -18.786 -6.084 432 H VAL 49 H VAL 49 -9.472 -22.999 -6.426 433 HA VAL 49 HA VAL 49 -9.556 -23.978 -9.218 434 HB VAL 49 HB VAL 49 -7.339 -22.929 -7.425 435 1HG1 VAL 49 1HG1 VAL 49 -6.573 -24.412 -9.301 436 2HG1 VAL 49 2HG1 VAL 49 -6.020 -22.745 -9.457 437 3HG1 VAL 49 3HG1 VAL 49 -7.372 -23.320 -10.433 438 1HG2 VAL 49 1HG2 VAL 49 -9.480 -21.655 -8.882 439 2HG2 VAL 49 2HG2 VAL 49 -7.930 -21.194 -9.583 440 3HG2 VAL 49 3HG2 VAL 49 -8.241 -20.914 -7.870 441 H MET 50 H MET 50 -8.504 -25.037 -6.009 442 HA MET 50 HA MET 50 -6.846 -27.218 -6.834 443 1HB MET 50 2HB MET 50 -7.198 -27.962 -4.513 444 2HB MET 50 1HB MET 50 -6.942 -26.218 -4.566 445 1HG MET 50 2HG MET 50 -9.359 -25.833 -4.445 446 2HG MET 50 1HG MET 50 -9.654 -27.572 -4.465 447 1HE MET 50 1HE MET 50 -8.254 -29.039 -3.216 448 2HE MET 50 2HE MET 50 -8.628 -29.085 -1.495 449 3HE MET 50 3HE MET 50 -7.052 -28.509 -2.030 450 H LEU 51 H LEU 51 -10.278 -26.782 -6.917 451 HA LEU 51 HA LEU 51 -10.611 -29.709 -7.460 452 1HB LEU 51 2HB LEU 51 -12.941 -29.352 -6.559 453 2HB LEU 51 1HB LEU 51 -11.668 -29.107 -5.370 454 HG LEU 51 HG LEU 51 -11.814 -26.628 -5.834 455 1HD1 LEU 51 1HD2 LEU 51 -12.824 -26.282 -7.889 456 2HD1 LEU 51 2HD2 LEU 51 -14.233 -26.120 -6.839 457 3HD1 LEU 51 3HD2 LEU 51 -13.934 -27.637 -7.687 458 1HD2 LEU 51 1HD1 LEU 51 -14.057 -28.270 -4.717 459 2HD2 LEU 51 2HD1 LEU 51 -14.256 -26.520 -4.823 460 3HD2 LEU 51 3HD1 LEU 51 -12.929 -27.202 -3.881 461 H LEU 52 H LEU 52 -10.139 -27.179 -9.210 462 HA LEU 52 HA LEU 52 -12.570 -27.383 -10.922 463 1HB LEU 52 2HB LEU 52 -12.011 -25.162 -10.139 464 2HB LEU 52 1HB LEU 52 -10.325 -25.368 -10.613 465 HG LEU 52 HG LEU 52 -11.014 -25.563 -12.961 466 1HD1 LEU 52 1HD1 LEU 52 -13.507 -24.656 -13.277 467 2HD1 LEU 52 2HD1 LEU 52 -13.718 -25.419 -11.700 468 3HD1 LEU 52 3HD1 LEU 52 -13.175 -26.376 -13.077 469 1HD2 LEU 52 1HD2 LEU 52 -11.722 -23.148 -11.332 470 2HD2 LEU 52 2HD2 LEU 52 -12.075 -23.139 -13.060 471 3HD2 LEU 52 3HD2 LEU 52 -10.418 -23.361 -12.499 Start of MODEL 7 1 1H MET 1 1HT MET 1 23.059 3.245 2.403 2 2H MET 1 2HT MET 1 21.775 3.439 1.309 3 H MET 1 H MET 1 22.719 3.656 1.804 4 3H MET 1 3HT MET 1 22.019 1.946 2.082 5 HA MET 1 HA MET 1 20.163 3.302 3.034 6 1HB MET 1 2HB MET 1 21.418 1.444 4.115 7 2HB MET 1 1HB MET 1 22.533 2.625 4.764 8 1HG MET 1 2HG MET 1 20.829 1.985 6.423 9 2HG MET 1 1HG MET 1 20.704 3.680 5.994 10 1HE MET 1 1HE MET 1 17.033 2.892 6.575 11 2HE MET 1 2HE MET 1 18.527 3.620 7.156 12 3HE MET 1 3HE MET 1 18.257 1.892 7.368 13 H ASP 2 H ASP 2 22.553 5.173 2.039 14 HA ASP 2 HA ASP 2 22.147 7.261 4.154 15 1HB ASP 2 2HB ASP 2 24.442 6.379 3.975 16 2HB ASP 2 1HB ASP 2 24.458 6.754 2.251 17 H LYS 3 H LYS 3 21.513 6.421 0.906 18 HA LYS 3 HA LYS 3 21.218 9.296 0.127 19 1HB LYS 3 2HB LYS 3 21.396 8.427 -2.171 20 2HB LYS 3 1HB LYS 3 22.762 7.881 -1.198 21 1HG LYS 3 2HG LYS 3 21.664 5.710 -0.840 22 2HG LYS 3 1HG LYS 3 20.269 6.251 -1.772 23 1HD LYS 3 2HD LYS 3 21.685 6.522 -3.762 24 2HD LYS 3 1HD LYS 3 23.102 6.029 -2.833 25 1HE LYS 3 2HE LYS 3 20.646 4.298 -3.314 26 2HE LYS 3 1HE LYS 3 22.211 4.115 -4.132 27 1HZ LYS 3 1HZ LYS 3 22.365 2.692 -2.306 28 2HZ LYS 3 2HZ LYS 3 21.587 3.781 -1.259 29 3HZ LYS 3 3HZ LYS 3 23.173 4.091 -1.786 30 H VAL 4 H VAL 4 19.547 6.182 0.349 31 HA VAL 4 HA VAL 4 17.151 6.943 -1.042 32 HB VAL 4 HB VAL 4 17.870 4.626 -0.494 33 1HG1 VAL 4 1HG1 VAL 4 16.990 5.219 2.338 34 2HG1 VAL 4 2HG1 VAL 4 18.678 5.320 1.841 35 3HG1 VAL 4 3HG1 VAL 4 17.820 3.784 1.735 36 1HG2 VAL 4 1HG2 VAL 4 15.279 5.056 0.962 37 2HG2 VAL 4 2HG2 VAL 4 15.704 3.806 -0.207 38 3HG2 VAL 4 3HG2 VAL 4 15.383 5.451 -0.753 39 H GLN 5 H GLN 5 18.341 7.657 2.156 40 HA GLN 5 HA GLN 5 15.737 8.342 3.272 41 1HB GLN 5 2HB GLN 5 18.588 8.860 4.169 42 2HB GLN 5 1HB GLN 5 17.154 9.076 5.175 43 1HG GLN 5 2HG GLN 5 16.602 6.685 4.907 44 2HG GLN 5 1HG GLN 5 18.040 6.466 3.909 45 1HE2 GLN 5 1HE2 GLN 5 16.962 6.042 7.030 46 2HE2 GLN 5 2HE2 GLN 5 18.439 6.171 7.855 47 H TYR 6 H TYR 6 18.663 10.364 2.855 48 HA TYR 6 HA TYR 6 17.411 12.876 3.047 49 1HB TYR 6 2HB TYR 6 19.795 11.973 1.401 50 2HB TYR 6 1HB TYR 6 19.442 13.648 1.810 51 HD1 TYR 6 1HD TYR 6 21.992 12.973 2.614 52 HD2 TYR 6 2HD TYR 6 18.336 11.893 4.609 53 HE1 TYR 6 1HE TYR 6 23.226 12.716 4.746 54 HE2 TYR 6 2HE TYR 6 19.577 11.636 6.735 55 HH TYR 6 HH TYR 6 23.070 11.757 6.856 56 H LEU 7 H LEU 7 17.666 10.716 0.253 57 HA LEU 7 HA LEU 7 16.809 12.635 -1.712 58 1HB LEU 7 2HB LEU 7 18.080 10.582 -2.178 59 2HB LEU 7 1HB LEU 7 16.696 9.632 -1.651 60 HG LEU 7 HG LEU 7 15.316 10.624 -3.437 61 1HD1 LEU 7 1HD2 LEU 7 17.067 11.786 -5.202 62 2HD1 LEU 7 2HD2 LEU 7 17.703 12.342 -3.654 63 3HD1 LEU 7 3HD2 LEU 7 16.029 12.682 -4.093 64 1HD2 LEU 7 1HD1 LEU 7 17.806 9.096 -3.959 65 2HD2 LEU 7 2HD1 LEU 7 17.028 9.799 -5.376 66 3HD2 LEU 7 3HD1 LEU 7 16.135 8.686 -4.340 67 H THR 8 H THR 8 15.063 9.869 -0.254 68 HA THR 8 HA THR 8 12.513 10.438 -1.338 69 HB THR 8 HB THR 8 13.307 9.189 1.308 70 HG1 THR 8 1HG THR 8 13.046 8.223 -1.333 71 1HG2 THR 8 1HG2 THR 8 10.882 9.790 1.086 72 2HG2 THR 8 2HG2 THR 8 11.168 8.055 1.221 73 3HG2 THR 8 3HG2 THR 8 10.808 8.769 -0.351 74 H ARG 9 H ARG 9 13.964 11.515 1.744 75 HA ARG 9 HA ARG 9 11.786 12.829 2.909 76 1HB ARG 9 2HB ARG 9 13.994 12.500 3.923 77 2HB ARG 9 1HB ARG 9 14.677 13.651 2.785 78 1HG ARG 9 2HG ARG 9 13.198 15.422 3.678 79 2HG ARG 9 1HG ARG 9 12.545 14.269 4.842 80 1HD ARG 9 2HD ARG 9 15.469 15.091 4.659 81 2HD ARG 9 1HD ARG 9 14.317 15.650 5.889 82 HE ARG 9 HE ARG 9 14.202 12.813 5.827 83 1HH1 ARG 9 1HH2 ARG 9 14.956 14.971 8.034 84 2HH1 ARG 9 2HH2 ARG 9 16.423 14.255 8.615 85 1HH2 ARG 9 1HH1 ARG 9 16.712 12.048 5.960 86 2HH2 ARG 9 2HH1 ARG 9 17.414 12.600 7.443 87 H SER 10 H SER 10 13.611 13.751 0.084 88 HA SER 10 HA SER 10 12.088 16.298 -0.045 89 1HB SER 10 2HB SER 10 14.822 15.594 -1.061 90 2HB SER 10 1HB SER 10 14.052 17.157 -1.282 91 HG SER 10 HG SER 10 15.181 17.430 0.541 92 H ALA 11 H ALA 11 12.572 13.269 -1.513 93 HA ALA 11 HA ALA 11 11.902 14.218 -4.222 94 1HB ALA 11 1HB ALA 11 13.562 12.581 -4.273 95 2HB ALA 11 2HB ALA 11 12.115 11.603 -4.523 96 3HB ALA 11 3HB ALA 11 12.856 11.690 -2.925 97 H ILE 12 H ILE 12 10.279 13.042 -1.431 98 HA ILE 12 HA ILE 12 7.871 12.487 -3.073 99 HB ILE 12 HB ILE 12 8.897 11.061 -0.640 100 1HG1 ILE 12 2HG1 ILE 12 10.093 10.509 -2.725 101 2HG1 ILE 12 1HG1 ILE 12 9.113 9.144 -2.186 102 1HG2 ILE 12 1HG2 ILE 12 6.961 9.500 -1.132 103 2HG2 ILE 12 2HG2 ILE 12 6.353 10.731 -2.239 104 3HG2 ILE 12 3HG2 ILE 12 6.497 11.087 -0.517 105 1HD1 ILE 12 1HD1 ILE 12 8.837 10.818 -4.600 106 2HD1 ILE 12 2HD1 ILE 12 7.323 10.507 -3.751 107 3HD1 ILE 12 3HD1 ILE 12 8.311 9.160 -4.313 108 H ARG 13 H ARG 13 9.148 13.678 0.012 109 HA ARG 13 HA ARG 13 6.639 14.291 1.239 110 1HB ARG 13 2HB ARG 13 9.384 15.561 1.478 111 2HB ARG 13 1HB ARG 13 8.094 15.760 2.651 112 1HG ARG 13 2HG ARG 13 9.517 13.189 1.904 113 2HG ARG 13 1HG ARG 13 9.606 14.030 3.445 114 1HD ARG 13 2HD ARG 13 7.055 12.801 2.329 115 2HD ARG 13 1HD ARG 13 8.103 12.022 3.518 116 HE ARG 13 HE ARG 13 7.230 13.477 5.154 117 1HH1 ARG 13 1HH2 ARG 13 5.188 13.894 2.690 118 2HH1 ARG 13 2HH2 ARG 13 4.891 15.585 2.912 119 1HH2 ARG 13 1HH1 ARG 13 7.505 16.024 5.148 120 2HH2 ARG 13 2HH1 ARG 13 6.203 16.792 4.301 121 H ARG 14 H ARG 14 8.932 16.482 -0.415 122 HA ARG 14 HA ARG 14 6.859 18.536 -0.611 123 1HB ARG 14 2HB ARG 14 8.672 19.873 -1.548 124 2HB ARG 14 1HB ARG 14 9.237 19.021 -0.112 125 1HG ARG 14 2HG ARG 14 10.225 17.265 -1.554 126 2HG ARG 14 1HG ARG 14 9.683 18.150 -2.980 127 1HD ARG 14 2HD ARG 14 11.535 19.274 -0.861 128 2HD ARG 14 1HD ARG 14 12.058 18.661 -2.443 129 HE ARG 14 HE ARG 14 9.950 20.519 -2.878 130 1HH1 ARG 14 1HH1 ARG 14 12.150 21.374 -0.656 131 2HH1 ARG 14 2HH1 ARG 14 12.995 22.550 -1.607 132 1HH2 ARG 14 1HH2 ARG 14 11.489 21.615 -4.587 133 2HH2 ARG 14 2HH2 ARG 14 12.623 22.685 -3.832 134 H ALA 15 H ALA 15 7.151 15.793 -2.289 135 HA ALA 15 HA ALA 15 6.500 17.067 -4.898 136 1HB ALA 15 1HB ALA 15 7.589 14.285 -4.537 137 2HB ALA 15 2HB ALA 15 8.669 15.678 -4.529 138 3HB ALA 15 3HB ALA 15 7.693 15.329 -5.955 139 H SER 16 H SER 16 5.388 15.005 -2.372 140 HA SER 16 HA SER 16 3.065 14.230 -4.045 141 1HB SER 16 2HB SER 16 4.647 12.615 -2.085 142 2HB SER 16 1HB SER 16 3.120 12.087 -2.754 143 HG SER 16 HG SER 16 5.542 11.890 -3.812 144 H THR 17 H THR 17 4.010 15.931 -1.377 145 HA THR 17 HA THR 17 1.378 15.528 -0.052 146 HB THR 17 HB THR 17 4.074 16.188 1.168 147 HG1 THR 17 1HG THR 17 2.481 13.842 1.218 148 1HG2 THR 17 1HG2 THR 17 2.701 15.573 3.292 149 2HG2 THR 17 2HG2 THR 17 1.294 15.917 2.286 150 3HG2 THR 17 3HG2 THR 17 2.491 17.176 2.589 151 H ILE 18 H ILE 18 3.151 17.647 -1.871 152 HA ILE 18 HA ILE 18 2.070 20.043 -0.491 153 HB ILE 18 HB ILE 18 4.551 19.797 -0.787 154 1HG1 ILE 18 2HG1 ILE 18 3.441 22.055 -0.727 155 2HG1 ILE 18 1HG1 ILE 18 4.957 22.034 -1.620 156 1HG2 ILE 18 1HG2 ILE 18 3.747 19.747 -3.700 157 2HG2 ILE 18 2HG2 ILE 18 4.703 18.558 -2.815 158 3HG2 ILE 18 3HG2 ILE 18 5.381 20.146 -3.173 159 1HD1 ILE 18 1HD1 ILE 18 3.109 21.461 -3.593 160 2HD1 ILE 18 2HD1 ILE 18 3.780 23.054 -3.266 161 3HD1 ILE 18 3HD1 ILE 18 2.230 22.593 -2.566 162 H GLU 19 H GLU 19 2.129 18.156 -3.444 163 HA GLU 19 HA GLU 19 0.456 20.165 -4.832 164 1HB GLU 19 2HB GLU 19 2.466 19.347 -5.956 165 2HB GLU 19 1HB GLU 19 1.894 17.697 -5.759 166 1HG GLU 19 2HG GLU 19 1.393 18.449 -8.025 167 2HG GLU 19 1HG GLU 19 -0.110 18.246 -7.128 168 H MET 20 H MET 20 0.436 16.873 -3.597 169 HA MET 20 HA MET 20 -2.489 16.730 -4.202 170 1HB MET 20 2HB MET 20 -0.408 14.573 -4.465 171 2HB MET 20 1HB MET 20 -2.124 14.364 -4.778 172 1HG MET 20 2HG MET 20 -0.281 16.271 -6.251 173 2HG MET 20 1HG MET 20 -0.887 14.740 -6.882 174 1HE MET 20 1HE MET 20 -2.424 17.825 -8.713 175 2HE MET 20 2HE MET 20 -2.333 16.122 -9.158 176 3HE MET 20 3HE MET 20 -0.936 16.912 -8.430 177 HA PRO 21 HA PRO 21 -1.336 15.658 0.228 178 1HB PRO 21 2HB PRO 21 -2.625 17.732 1.465 179 2HB PRO 21 1HB PRO 21 -0.939 17.828 0.936 180 1HG PRO 21 2HG PRO 21 -3.369 18.921 -0.334 181 2HG PRO 21 1HG PRO 21 -1.749 19.611 -0.229 182 1HD PRO 21 2HD PRO 21 -2.746 18.392 -2.469 183 2HD PRO 21 1HD PRO 21 -1.015 18.496 -2.082 184 H GLN 22 H GLN 22 -4.308 16.920 -1.248 185 HA GLN 22 HA GLN 22 -6.082 15.554 0.629 186 1HB GLN 22 2HB GLN 22 -6.529 16.867 -2.043 187 2HB GLN 22 1HB GLN 22 -7.803 16.419 -0.917 188 1HG GLN 22 2HG GLN 22 -5.556 18.378 -0.348 189 2HG GLN 22 1HG GLN 22 -7.229 18.815 -0.703 190 1HE2 GLN 22 1HE2 GLN 22 -5.149 18.390 1.864 191 2HE2 GLN 22 2HE2 GLN 22 -6.276 17.994 3.070 192 H GLN 23 H GLN 23 -4.917 15.011 -2.679 193 HA GLN 23 HA GLN 23 -6.536 12.666 -3.142 194 1HB GLN 23 2HB GLN 23 -5.673 14.117 -4.918 195 2HB GLN 23 1HB GLN 23 -4.031 13.715 -4.437 196 1HG GLN 23 2HG GLN 23 -4.447 11.342 -4.955 197 2HG GLN 23 1HG GLN 23 -6.091 11.742 -5.443 198 1HE2 GLN 23 1HE2 GLN 23 -4.203 14.359 -6.448 199 2HE2 GLN 23 2HE2 GLN 23 -3.867 13.835 -8.024 200 H ALA 24 H ALA 24 -3.044 13.130 -2.468 201 HA ALA 24 HA ALA 24 -2.247 10.437 -2.316 202 1HB ALA 24 1HB ALA 24 -0.466 11.319 -0.854 203 2HB ALA 24 2HB ALA 24 -1.429 12.763 -0.539 204 3HB ALA 24 3HB ALA 24 -0.797 12.461 -2.157 205 H ARG 25 H ARG 25 -3.741 12.463 0.217 206 HA ARG 25 HA ARG 25 -3.744 10.432 2.250 207 1HB ARG 25 2HB ARG 25 -3.950 12.843 2.676 208 2HB ARG 25 1HB ARG 25 -5.471 12.854 1.795 209 1HG ARG 25 2HG ARG 25 -6.466 11.319 3.427 210 2HG ARG 25 1HG ARG 25 -4.938 11.246 4.303 211 1HD ARG 25 2HD ARG 25 -6.579 13.769 3.863 212 2HD ARG 25 1HD ARG 25 -6.481 12.855 5.382 213 HE ARG 25 HE ARG 25 -4.482 14.684 4.446 214 1HH1 ARG 25 1HH2 ARG 25 -5.168 12.306 6.713 215 2HH1 ARG 25 2HH2 ARG 25 -3.518 11.966 7.118 216 1HH2 ARG 25 1HH1 ARG 25 -2.213 13.927 4.573 217 2HH2 ARG 25 2HH1 ARG 25 -1.846 12.882 5.904 218 H GLN 26 H GLN 26 -5.842 11.262 -0.417 219 HA GLN 26 HA GLN 26 -8.099 9.661 0.413 220 1HB GLN 26 2HB GLN 26 -8.215 11.632 -1.076 221 2HB GLN 26 1HB GLN 26 -7.248 10.762 -2.253 222 1HG GLN 26 2HG GLN 26 -9.600 10.605 -2.877 223 2HG GLN 26 1HG GLN 26 -9.008 9.015 -2.396 224 1HE2 GLN 26 1HE2 GLN 26 -11.572 11.135 -1.944 225 2HE2 GLN 26 2HE2 GLN 26 -12.142 10.549 -0.456 226 H ASN 27 H ASN 27 -5.852 9.298 -2.337 227 HA ASN 27 HA ASN 27 -6.466 6.690 -3.110 228 1HB ASN 27 2HB ASN 27 -4.968 8.230 -4.283 229 2HB ASN 27 1HB ASN 27 -3.802 8.082 -2.977 230 1HD2 ASN 27 1HD2 ASN 27 -2.153 6.635 -3.458 231 2HD2 ASN 27 2HD2 ASN 27 -2.321 5.253 -4.429 232 H LEU 28 H LEU 28 -4.545 7.754 -0.358 233 HA LEU 28 HA LEU 28 -3.109 5.477 0.355 234 1HB LEU 28 2HB LEU 28 -3.086 7.646 1.503 235 2HB LEU 28 1HB LEU 28 -4.707 7.332 2.101 236 HG LEU 28 HG LEU 28 -3.888 5.340 3.305 237 1HD1 LEU 28 1HD1 LEU 28 -1.320 5.190 3.485 238 2HD1 LEU 28 2HD1 LEU 28 -1.284 6.189 2.032 239 3HD1 LEU 28 3HD1 LEU 28 -2.055 4.603 1.993 240 1HD2 LEU 28 1HD2 LEU 28 -3.127 6.555 5.104 241 2HD2 LEU 28 2HD2 LEU 28 -3.663 7.901 4.096 242 3HD2 LEU 28 3HD2 LEU 28 -1.958 7.451 4.135 243 H GLN 29 H GLN 29 -6.573 5.947 0.453 244 HA GLN 29 HA GLN 29 -7.370 3.976 2.314 245 1HB GLN 29 2HB GLN 29 -9.477 4.034 1.049 246 2HB GLN 29 1HB GLN 29 -8.802 5.660 1.162 247 1HG GLN 29 2HG GLN 29 -7.798 5.380 -1.093 248 2HG GLN 29 1HG GLN 29 -8.536 3.784 -1.205 249 1HE2 GLN 29 1HE2 GLN 29 -9.023 6.927 -2.169 250 2HE2 GLN 29 2HE2 GLN 29 -10.715 6.923 -2.296 251 H ASN 30 H ASN 30 -5.944 3.590 -0.843 252 HA ASN 30 HA ASN 30 -6.890 1.073 -1.655 253 1HB ASN 30 2HB ASN 30 -4.139 2.275 -1.818 254 2HB ASN 30 1HB ASN 30 -4.692 0.937 -2.807 255 1HD2 ASN 30 1HD2 ASN 30 -7.421 2.844 -2.488 256 2HD2 ASN 30 2HD2 ASN 30 -7.217 3.834 -3.846 257 H LEU 31 H LEU 31 -4.332 1.852 0.680 258 HA LEU 31 HA LEU 31 -3.276 -0.716 1.136 259 1HB LEU 31 2HB LEU 31 -2.406 1.409 2.019 260 2HB LEU 31 1HB LEU 31 -3.812 1.526 3.068 261 HG LEU 31 HG LEU 31 -3.176 -0.580 4.180 262 1HD1 LEU 31 1HD1 LEU 31 -0.699 -1.272 3.608 263 2HD1 LEU 31 2HD1 LEU 31 -1.048 -0.494 2.064 264 3HD1 LEU 31 3HD1 LEU 31 -2.026 -1.858 2.605 265 1HD2 LEU 31 1HD2 LEU 31 -2.326 1.575 5.063 266 2HD2 LEU 31 2HD2 LEU 31 -0.899 1.422 4.037 267 3HD2 LEU 31 3HD2 LEU 31 -1.178 0.266 5.340 268 H PHE 32 H PHE 32 -6.272 0.726 2.312 269 HA PHE 32 HA PHE 32 -6.830 -1.365 4.228 270 1HB PHE 32 2HB PHE 32 -7.616 0.995 4.358 271 2HB PHE 32 1HB PHE 32 -8.601 0.723 2.926 272 HD1 PHE 32 1HD PHE 32 -10.254 1.655 4.833 273 HD2 PHE 32 2HD PHE 32 -8.609 -2.317 4.733 274 HE1 PHE 32 1HE PHE 32 -12.103 0.846 6.270 275 HE2 PHE 32 2HE PHE 32 -10.461 -3.118 6.164 276 HZ PHE 32 HZ PHE 32 -12.209 -1.538 6.934 277 H ILE 33 H ILE 33 -8.463 -0.432 1.175 278 HA ILE 33 HA ILE 33 -10.107 -2.724 0.929 279 HB ILE 33 HB ILE 33 -10.287 -0.627 -0.374 280 1HG1 ILE 33 2HG1 ILE 33 -9.803 -3.076 -2.106 281 2HG1 ILE 33 1HG1 ILE 33 -11.307 -2.702 -1.265 282 1HG2 ILE 33 1HG2 ILE 33 -7.837 -1.647 -1.844 283 2HG2 ILE 33 2HG2 ILE 33 -7.816 -0.334 -0.666 284 3HG2 ILE 33 3HG2 ILE 33 -8.715 -0.152 -2.171 285 1HD1 ILE 33 1HD1 ILE 33 -10.117 -0.665 -3.123 286 2HD1 ILE 33 2HD1 ILE 33 -11.803 -0.905 -2.666 287 3HD1 ILE 33 3HD1 ILE 33 -11.028 -2.020 -3.790 288 H ASN 34 H ASN 34 -6.688 -2.335 0.350 289 HA ASN 34 HA ASN 34 -6.353 -4.634 -1.373 290 1HB ASN 34 2HB ASN 34 -4.820 -2.703 -1.273 291 2HB ASN 34 1HB ASN 34 -4.434 -3.097 0.402 292 1HD2 ASN 34 1HD2 ASN 34 -3.254 -3.471 -2.689 293 2HD2 ASN 34 2HD2 ASN 34 -2.341 -4.884 -2.469 294 H PHE 35 H PHE 35 -5.252 -4.102 1.997 295 HA PHE 35 HA PHE 35 -4.646 -6.799 2.590 296 1HB PHE 35 2HB PHE 35 -5.603 -4.489 4.306 297 2HB PHE 35 1HB PHE 35 -4.944 -5.982 4.967 298 HD1 PHE 35 1HD PHE 35 -3.511 -3.817 5.883 299 HD2 PHE 35 2HD PHE 35 -3.198 -5.586 1.974 300 HE1 PHE 35 1HE PHE 35 -1.214 -2.918 5.655 301 HE2 PHE 35 2HE PHE 35 -0.903 -4.682 1.753 302 HZ PHE 35 HZ PHE 35 0.089 -3.348 3.591 303 H CYS 36 H CYS 36 -7.748 -5.272 2.270 304 HA CYS 36 HA CYS 36 -9.176 -7.216 3.909 305 1HB CYS 36 2HB CYS 36 -9.901 -4.879 3.639 306 2HB CYS 36 1HB CYS 36 -10.077 -5.130 1.902 307 HG CYS 36 HG CYS 36 -11.747 -7.122 3.483 308 H LEU 37 H LEU 37 -8.696 -6.635 0.431 309 HA LEU 37 HA LEU 37 -10.343 -8.922 -0.322 310 1HB LEU 37 2HB LEU 37 -8.539 -7.041 -1.848 311 2HB LEU 37 1HB LEU 37 -9.631 -8.213 -2.593 312 HG LEU 37 HG LEU 37 -10.445 -5.944 -0.753 313 1HD1 LEU 37 1HD1 LEU 37 -11.377 -6.296 -3.563 314 2HD1 LEU 37 2HD1 LEU 37 -9.757 -5.655 -3.295 315 3HD1 LEU 37 3HD1 LEU 37 -11.160 -4.813 -2.635 316 1HD2 LEU 37 1HD2 LEU 37 -12.008 -7.654 -0.325 317 2HD2 LEU 37 2HD2 LEU 37 -11.942 -8.254 -1.983 318 3HD2 LEU 37 3HD2 LEU 37 -12.771 -6.739 -1.626 319 H ILE 38 H ILE 38 -6.890 -8.153 -0.095 320 HA ILE 38 HA ILE 38 -5.914 -10.513 -1.407 321 HB ILE 38 HB ILE 38 -4.720 -8.697 0.670 322 1HG1 ILE 38 2HG1 ILE 38 -5.475 -7.534 -1.370 323 2HG1 ILE 38 1HG1 ILE 38 -3.714 -7.565 -1.283 324 1HG2 ILE 38 1HG2 ILE 38 -3.202 -10.434 0.679 325 2HG2 ILE 38 2HG2 ILE 38 -2.602 -9.537 -0.715 326 3HG2 ILE 38 3HG2 ILE 38 -3.631 -10.949 -0.953 327 1HD1 ILE 38 1HD1 ILE 38 -5.504 -8.815 -3.239 328 2HD1 ILE 38 2HD1 ILE 38 -4.297 -9.928 -2.593 329 3HD1 ILE 38 3HD1 ILE 38 -3.790 -8.431 -3.373 330 H LEU 39 H LEU 39 -6.782 -9.818 1.963 331 HA LEU 39 HA LEU 39 -5.681 -12.308 2.976 332 1HB LEU 39 2HB LEU 39 -7.599 -10.250 4.095 333 2HB LEU 39 1HB LEU 39 -6.877 -11.553 5.039 334 HG LEU 39 HG LEU 39 -5.330 -9.417 3.542 335 1HD1 LEU 39 1HD2 LEU 39 -6.672 -8.871 5.737 336 2HD1 LEU 39 2HD2 LEU 39 -5.001 -8.329 5.583 337 3HD1 LEU 39 3HD2 LEU 39 -5.377 -9.773 6.526 338 1HD2 LEU 39 1HD1 LEU 39 -3.598 -10.840 3.735 339 2HD2 LEU 39 2HD1 LEU 39 -4.604 -12.004 4.600 340 3HD2 LEU 39 3HD1 LEU 39 -3.760 -10.735 5.488 341 H ILE 40 H ILE 40 -8.664 -11.389 1.471 342 HA ILE 40 HA ILE 40 -10.005 -13.837 2.462 343 HB ILE 40 HB ILE 40 -11.015 -11.402 1.025 344 1HG1 ILE 40 2HG1 ILE 40 -11.256 -12.263 3.921 345 2HG1 ILE 40 1HG1 ILE 40 -10.236 -10.954 3.325 346 1HG2 ILE 40 1HG2 ILE 40 -12.431 -13.802 2.197 347 2HG2 ILE 40 2HG2 ILE 40 -12.469 -13.250 0.522 348 3HG2 ILE 40 3HG2 ILE 40 -13.260 -12.301 1.781 349 1HD1 ILE 40 1HD1 ILE 40 -12.400 -9.968 2.324 350 2HD1 ILE 40 2HD1 ILE 40 -12.199 -9.863 4.072 351 3HD1 ILE 40 3HD1 ILE 40 -13.249 -11.099 3.380 352 H PHE 41 H PHE 41 -8.942 -12.196 -0.477 353 HA PHE 41 HA PHE 41 -10.208 -13.839 -2.411 354 1HB PHE 41 2HB PHE 41 -9.028 -11.700 -2.826 355 2HB PHE 41 1HB PHE 41 -7.491 -12.486 -2.464 356 HD1 PHE 41 1HD PHE 41 -10.534 -13.252 -4.531 357 HD2 PHE 41 2HD PHE 41 -6.246 -13.090 -4.336 358 HE1 PHE 41 1HE PHE 41 -10.397 -14.054 -6.873 359 HE2 PHE 41 2HE PHE 41 -6.108 -13.891 -6.678 360 HZ PHE 41 HZ PHE 41 -8.184 -14.373 -7.948 361 H LEU 42 H LEU 42 -7.110 -14.269 -0.691 362 HA LEU 42 HA LEU 42 -6.104 -16.498 -2.102 363 1HB LEU 42 2HB LEU 42 -6.007 -15.795 0.851 364 2HB LEU 42 1HB LEU 42 -4.934 -16.953 0.065 365 HG LEU 42 HG LEU 42 -5.188 -14.024 -0.684 366 1HD1 LEU 42 1HD1 LEU 42 -2.575 -14.736 0.173 367 2HD1 LEU 42 2HD1 LEU 42 -3.698 -15.355 1.384 368 3HD1 LEU 42 3HD1 LEU 42 -3.706 -13.641 0.967 369 1HD2 LEU 42 1HD2 LEU 42 -4.164 -16.307 -2.086 370 2HD2 LEU 42 2HD2 LEU 42 -2.812 -15.260 -1.647 371 3HD2 LEU 42 3HD2 LEU 42 -4.156 -14.617 -2.591 372 H LEU 43 H LEU 43 -8.383 -16.405 0.644 373 HA LEU 43 HA LEU 43 -8.704 -19.279 0.768 374 1HB LEU 43 2HB LEU 43 -9.047 -17.744 2.668 375 2HB LEU 43 1HB LEU 43 -10.377 -16.970 1.806 376 HG LEU 43 HG LEU 43 -11.605 -19.114 1.773 377 1HD1 LEU 43 1HD1 LEU 43 -9.107 -20.068 3.182 378 2HD1 LEU 43 2HD1 LEU 43 -9.884 -20.751 1.753 379 3HD1 LEU 43 3HD1 LEU 43 -10.642 -20.922 3.336 380 1HD2 LEU 43 1HD2 LEU 43 -12.282 -19.071 4.046 381 2HD2 LEU 43 2HD2 LEU 43 -11.680 -17.442 3.735 382 3HD2 LEU 43 3HD2 LEU 43 -10.674 -18.605 4.602 383 H LEU 44 H LEU 44 -10.350 -16.631 -0.898 384 HA LEU 44 HA LEU 44 -12.735 -17.967 -1.657 385 1HB LEU 44 2HB LEU 44 -12.069 -15.525 -1.677 386 2HB LEU 44 1HB LEU 44 -11.117 -15.867 -3.116 387 HG LEU 44 HG LEU 44 -13.350 -14.938 -3.585 388 1HD1 LEU 44 1HD2 LEU 44 -13.408 -17.733 -4.642 389 2HD1 LEU 44 2HD2 LEU 44 -12.023 -16.713 -5.029 390 3HD1 LEU 44 3HD2 LEU 44 -13.646 -16.210 -5.501 391 1HD2 LEU 44 1HD1 LEU 44 -15.262 -15.805 -2.748 392 2HD2 LEU 44 2HD1 LEU 44 -14.213 -16.668 -1.625 393 3HD2 LEU 44 3HD1 LEU 44 -14.761 -17.458 -3.102 394 H ILE 45 H ILE 45 -9.721 -17.442 -3.547 395 HA ILE 45 HA ILE 45 -10.455 -19.001 -5.801 396 HB ILE 45 HB ILE 45 -8.020 -18.964 -6.238 397 1HG1 ILE 45 2HG1 ILE 45 -7.850 -17.932 -3.387 398 2HG1 ILE 45 1HG1 ILE 45 -7.284 -19.509 -3.942 399 1HG2 ILE 45 1HG2 ILE 45 -8.514 -16.856 -6.866 400 2HG2 ILE 45 2HG2 ILE 45 -7.940 -16.331 -5.284 401 3HG2 ILE 45 3HG2 ILE 45 -9.653 -16.663 -5.535 402 1HD1 ILE 45 1HD1 ILE 45 -5.809 -18.259 -5.598 403 2HD1 ILE 45 2HD1 ILE 45 -5.359 -18.087 -3.902 404 3HD1 ILE 45 3HD1 ILE 45 -6.222 -16.785 -4.723 405 H CYS 46 H CYS 46 -9.350 -19.984 -2.634 406 HA CYS 46 HA CYS 46 -8.218 -22.508 -3.178 407 1HB CYS 46 2HB CYS 46 -8.222 -21.358 -1.010 408 2HB CYS 46 1HB CYS 46 -9.958 -21.610 -0.897 409 HG CYS 46 HG CYS 46 -8.786 -24.292 -1.284 410 H ILE 47 H ILE 47 -11.639 -21.597 -2.806 411 HA ILE 47 HA ILE 47 -12.779 -24.185 -2.813 412 HB ILE 47 HB ILE 47 -13.751 -21.529 -3.906 413 1HG1 ILE 47 2HG1 ILE 47 -14.112 -22.877 -1.210 414 2HG1 ILE 47 1HG1 ILE 47 -13.090 -21.476 -1.529 415 1HG2 ILE 47 1HG2 ILE 47 -15.877 -23.087 -2.908 416 2HG2 ILE 47 2HG2 ILE 47 -14.932 -24.160 -3.940 417 3HG2 ILE 47 3HG2 ILE 47 -15.572 -22.649 -4.587 418 1HD1 ILE 47 1HD1 ILE 47 -16.029 -21.640 -1.257 419 2HD1 ILE 47 2HD1 ILE 47 -15.459 -20.629 -2.584 420 3HD1 ILE 47 3HD1 ILE 47 -14.942 -20.291 -0.932 421 H ILE 48 H ILE 48 -11.357 -22.335 -5.410 422 HA ILE 48 HA ILE 48 -12.592 -23.993 -7.495 423 HB ILE 48 HB ILE 48 -10.615 -21.733 -7.544 424 1HG1 ILE 48 2HG1 ILE 48 -13.590 -21.818 -8.116 425 2HG1 ILE 48 1HG1 ILE 48 -12.842 -21.111 -6.681 426 1HG2 ILE 48 1HG2 ILE 48 -12.159 -22.162 -9.961 427 2HG2 ILE 48 2HG2 ILE 48 -11.210 -23.592 -9.553 428 3HG2 ILE 48 3HG2 ILE 48 -10.410 -22.036 -9.769 429 1HD1 ILE 48 1HD1 ILE 48 -11.506 -19.630 -8.287 430 2HD1 ILE 48 2HD1 ILE 48 -13.230 -19.282 -8.158 431 3HD1 ILE 48 3HD1 ILE 48 -12.613 -20.177 -9.546 432 H VAL 49 H VAL 49 -9.523 -23.624 -5.824 433 HA VAL 49 HA VAL 49 -7.950 -25.215 -7.672 434 HB VAL 49 HB VAL 49 -7.588 -24.498 -4.742 435 1HG1 VAL 49 1HG2 VAL 49 -5.994 -26.052 -6.646 436 2HG1 VAL 49 2HG2 VAL 49 -5.829 -25.916 -4.895 437 3HG1 VAL 49 3HG2 VAL 49 -5.098 -24.704 -5.947 438 1HG2 VAL 49 1HG1 VAL 49 -7.739 -22.808 -6.925 439 2HG2 VAL 49 2HG1 VAL 49 -6.007 -23.105 -6.787 440 3HG2 VAL 49 3HG1 VAL 49 -6.899 -22.445 -5.417 441 H MET 50 H MET 50 -9.704 -25.912 -4.648 442 HA MET 50 HA MET 50 -8.825 -28.591 -4.292 443 1HB MET 50 2HB MET 50 -11.421 -27.235 -3.608 444 2HB MET 50 1HB MET 50 -10.864 -28.741 -2.894 445 1HG MET 50 2HG MET 50 -8.869 -27.588 -2.016 446 2HG MET 50 1HG MET 50 -9.423 -26.077 -2.735 447 1HE MET 50 1HE MET 50 -11.183 -28.506 0.662 448 2HE MET 50 2HE MET 50 -10.285 -29.037 -0.757 449 3HE MET 50 3HE MET 50 -12.015 -28.726 -0.883 450 H LEU 51 H LEU 51 -11.037 -27.207 -6.580 451 HA LEU 51 HA LEU 51 -12.050 -29.934 -7.294 452 1HB LEU 51 2HB LEU 51 -13.105 -27.131 -7.770 453 2HB LEU 51 1HB LEU 51 -13.830 -28.567 -8.484 454 HG LEU 51 HG LEU 51 -14.101 -29.492 -6.145 455 1HD1 LEU 51 1HD2 LEU 51 -12.749 -26.930 -5.554 456 2HD1 LEU 51 2HD2 LEU 51 -12.820 -28.411 -4.598 457 3HD1 LEU 51 3HD2 LEU 51 -14.160 -27.266 -4.551 458 1HD2 LEU 51 1HD1 LEU 51 -16.051 -28.573 -7.143 459 2HD2 LEU 51 2HD1 LEU 51 -15.443 -26.924 -7.001 460 3HD2 LEU 51 3HD1 LEU 51 -15.955 -27.801 -5.560 461 H LEU 52 H LEU 52 -11.215 -26.845 -8.934 462 HA LEU 52 HA LEU 52 -10.380 -28.428 -11.321 463 1HB LEU 52 2HB LEU 52 -11.017 -25.502 -10.834 464 2HB LEU 52 1HB LEU 52 -10.422 -26.113 -12.376 465 HG LEU 52 HG LEU 52 -12.381 -27.699 -12.419 466 1HD1 LEU 52 1HD1 LEU 52 -12.987 -26.208 -9.886 467 2HD1 LEU 52 2HD1 LEU 52 -13.155 -27.928 -10.233 468 3HD1 LEU 52 3HD1 LEU 52 -14.317 -26.778 -10.892 469 1HD2 LEU 52 1HD2 LEU 52 -12.218 -25.174 -13.307 470 2HD2 LEU 52 2HD2 LEU 52 -13.548 -24.967 -12.167 471 3HD2 LEU 52 3HD2 LEU 52 -13.688 -26.134 -13.483 Start of MODEL 8 1 1H MET 1 1HT MET 1 23.537 -6.709 -3.982 2 2H MET 1 2HT MET 1 24.925 -6.131 -4.773 3 H MET 1 H MET 1 24.226 -6.604 -3.950 4 3H MET 1 3HT MET 1 23.542 -6.545 -5.671 5 HA MET 1 HA MET 1 23.967 -4.082 -5.265 6 1HB MET 1 2HB MET 1 21.501 -3.795 -5.008 7 2HB MET 1 1HB MET 1 21.921 -5.048 -6.160 8 1HG MET 1 2HG MET 1 21.560 -6.778 -4.476 9 2HG MET 1 1HG MET 1 21.205 -5.536 -3.284 10 1HE MET 1 1HE MET 1 18.963 -6.903 -6.920 11 2HE MET 1 2HE MET 1 20.689 -6.625 -6.699 12 3HE MET 1 3HE MET 1 19.646 -5.294 -7.194 13 H ASP 2 H ASP 2 24.057 -2.514 -3.746 14 HA ASP 2 HA ASP 2 23.042 -2.811 -1.036 15 1HB ASP 2 2HB ASP 2 25.292 -2.868 0.034 16 2HB ASP 2 1HB ASP 2 24.989 -4.296 -0.953 17 H LYS 3 H LYS 3 25.165 -1.049 -3.283 18 HA LYS 3 HA LYS 3 24.588 1.455 -1.747 19 1HB LYS 3 2HB LYS 3 26.671 2.269 -2.739 20 2HB LYS 3 1HB LYS 3 26.948 0.722 -1.940 21 1HG LYS 3 2HG LYS 3 26.820 -0.452 -4.074 22 2HG LYS 3 1HG LYS 3 26.434 1.056 -4.906 23 1HD LYS 3 2HD LYS 3 28.820 0.545 -5.154 24 2HD LYS 3 1HD LYS 3 28.598 1.997 -4.176 25 1HE LYS 3 2HE LYS 3 28.875 0.663 -2.112 26 2HE LYS 3 1HE LYS 3 29.111 -0.797 -3.093 27 1HZ LYS 3 1HZ LYS 3 31.171 0.566 -2.388 28 2HZ LYS 3 2HZ LYS 3 30.701 1.629 -3.628 29 3HZ LYS 3 3HZ LYS 3 31.068 0.009 -3.986 30 H VAL 4 H VAL 4 24.343 -0.153 -4.852 31 HA VAL 4 HA VAL 4 23.757 2.215 -6.419 32 HB VAL 4 HB VAL 4 23.021 0.497 -8.073 33 1HG1 VAL 4 1HG2 VAL 4 25.177 -0.138 -8.515 34 2HG1 VAL 4 2HG2 VAL 4 25.451 -0.725 -6.874 35 3HG1 VAL 4 3HG2 VAL 4 25.534 1.003 -7.219 36 1HG2 VAL 4 1HG1 VAL 4 22.525 -1.654 -7.507 37 2HG2 VAL 4 2HG1 VAL 4 22.276 -0.978 -5.899 38 3HG2 VAL 4 3HG1 VAL 4 23.812 -1.739 -6.306 39 H GLN 5 H GLN 5 21.885 0.150 -4.315 40 HA GLN 5 HA GLN 5 19.284 0.904 -5.370 41 1HB GLN 5 2HB GLN 5 20.197 -0.354 -2.766 42 2HB GLN 5 1HB GLN 5 18.524 -0.290 -3.317 43 1HG GLN 5 2HG GLN 5 20.805 -1.635 -4.797 44 2HG GLN 5 1HG GLN 5 19.558 -2.467 -3.868 45 1HE2 GLN 5 1HE2 GLN 5 20.340 -1.609 -6.998 46 2HE2 GLN 5 2HE2 GLN 5 18.783 -1.573 -7.670 47 H TYR 6 H TYR 6 20.921 1.600 -2.257 48 HA TYR 6 HA TYR 6 19.123 3.608 -1.372 49 1HB TYR 6 2HB TYR 6 20.836 2.427 -0.017 50 2HB TYR 6 1HB TYR 6 22.104 3.286 -0.892 51 HD1 TYR 6 1HD TYR 6 18.853 4.175 0.776 52 HD2 TYR 6 2HD TYR 6 23.018 5.093 0.250 53 HE1 TYR 6 1HE TYR 6 18.628 6.091 2.334 54 HE2 TYR 6 2HE TYR 6 22.790 7.010 1.808 55 HH TYR 6 HH TYR 6 20.987 7.498 3.867 56 H LEU 7 H LEU 7 21.935 3.780 -3.519 57 HA LEU 7 HA LEU 7 22.259 6.606 -3.591 58 1HB LEU 7 2HB LEU 7 23.869 4.960 -4.428 59 2HB LEU 7 1HB LEU 7 22.721 4.483 -5.670 60 HG LEU 7 HG LEU 7 22.775 6.759 -6.614 61 1HD1 LEU 7 1HD1 LEU 7 24.664 8.254 -5.743 62 2HD1 LEU 7 2HD1 LEU 7 24.706 7.200 -4.328 63 3HD1 LEU 7 3HD1 LEU 7 23.244 8.112 -4.707 64 1HD2 LEU 7 1HD2 LEU 7 24.340 5.609 -7.817 65 2HD2 LEU 7 2HD2 LEU 7 25.162 5.021 -6.371 66 3HD2 LEU 7 3HD2 LEU 7 25.474 6.654 -6.961 67 H THR 8 H THR 8 20.497 4.458 -5.838 68 HA THR 8 HA THR 8 19.340 6.582 -7.389 69 HB THR 8 HB THR 8 18.471 3.720 -6.920 70 HG1 THR 8 1HG THR 8 20.500 3.652 -7.701 71 1HG2 THR 8 1HG2 THR 8 16.681 4.627 -8.073 72 2HG2 THR 8 2HG2 THR 8 17.723 4.165 -9.419 73 3HG2 THR 8 3HG2 THR 8 17.679 5.841 -8.874 74 H ARG 9 H ARG 9 18.433 5.000 -4.397 75 HA ARG 9 HA ARG 9 15.685 5.407 -4.203 76 1HB ARG 9 2HB ARG 9 17.168 4.348 -2.531 77 2HB ARG 9 1HB ARG 9 17.790 5.938 -2.119 78 1HG ARG 9 2HG ARG 9 16.054 5.285 -0.515 79 2HG ARG 9 1HG ARG 9 15.507 6.660 -1.477 80 1HD ARG 9 2HD ARG 9 14.230 5.150 -2.951 81 2HD ARG 9 1HD ARG 9 14.802 3.750 -2.022 82 HE ARG 9 HE ARG 9 12.648 5.453 -1.223 83 1HH1 ARG 9 1HH2 ARG 9 13.101 2.790 0.000 84 2HH1 ARG 9 2HH2 ARG 9 13.584 3.190 1.614 85 1HH2 ARG 9 1HH1 ARG 9 14.312 6.495 0.862 86 2HH2 ARG 9 2HH1 ARG 9 14.270 5.287 2.102 87 H SER 10 H SER 10 18.266 7.793 -3.952 88 HA SER 10 HA SER 10 16.715 9.985 -2.986 89 1HB SER 10 2HB SER 10 19.167 9.878 -3.007 90 2HB SER 10 1HB SER 10 19.141 9.870 -4.762 91 HG SER 10 HG SER 10 19.447 11.968 -4.159 92 H ALA 11 H ALA 11 17.121 8.559 -6.167 93 HA ALA 11 HA ALA 11 15.905 10.800 -7.591 94 1HB ALA 11 1HB ALA 11 17.331 9.661 -8.986 95 2HB ALA 11 2HB ALA 11 15.884 8.707 -9.315 96 3HB ALA 11 3HB ALA 11 17.077 8.130 -8.150 97 H ILE 12 H ILE 12 14.881 7.706 -6.241 98 HA ILE 12 HA ILE 12 12.309 7.599 -7.518 99 HB ILE 12 HB ILE 12 13.355 6.393 -4.971 100 1HG1 ILE 12 2HG1 ILE 12 13.307 5.339 -7.812 101 2HG1 ILE 12 1HG1 ILE 12 14.746 5.858 -6.933 102 1HG2 ILE 12 1HG2 ILE 12 10.782 6.255 -6.314 103 2HG2 ILE 12 2HG2 ILE 12 11.249 5.625 -4.734 104 3HG2 ILE 12 3HG2 ILE 12 11.529 4.663 -6.185 105 1HD1 ILE 12 1HD1 ILE 12 13.292 3.324 -6.778 106 2HD1 ILE 12 2HD1 ILE 12 13.554 4.051 -5.193 107 3HD1 ILE 12 3HD1 ILE 12 14.928 3.712 -6.245 108 H ARG 13 H ARG 13 13.304 8.553 -4.216 109 HA ARG 13 HA ARG 13 10.726 9.349 -3.304 110 1HB ARG 13 2HB ARG 13 13.508 10.317 -2.573 111 2HB ARG 13 1HB ARG 13 12.067 10.554 -1.588 112 1HG ARG 13 2HG ARG 13 13.216 7.864 -2.399 113 2HG ARG 13 1HG ARG 13 13.377 8.604 -0.808 114 1HD ARG 13 2HD ARG 13 10.742 7.840 -2.126 115 2HD ARG 13 1HD ARG 13 11.528 6.972 -0.797 116 HE ARG 13 HE ARG 13 11.340 9.690 -0.028 117 1HH1 ARG 13 1HH1 ARG 13 8.720 8.539 -1.529 118 2HH1 ARG 13 2HH1 ARG 13 7.712 8.343 -0.133 119 1HH2 ARG 13 1HH2 ARG 13 10.305 8.780 2.128 120 2HH2 ARG 13 2HH2 ARG 13 8.611 8.474 1.938 121 H ARG 14 H ARG 14 12.971 10.920 -5.457 122 HA ARG 14 HA ARG 14 12.198 13.633 -5.091 123 1HB ARG 14 2HB ARG 14 14.201 12.909 -6.276 124 2HB ARG 14 1HB ARG 14 13.225 12.033 -7.456 125 1HG ARG 14 2HG ARG 14 13.921 14.191 -8.383 126 2HG ARG 14 1HG ARG 14 12.177 14.143 -8.132 127 1HD ARG 14 2HD ARG 14 12.397 15.398 -6.036 128 2HD ARG 14 1HD ARG 14 14.162 15.397 -6.205 129 HE ARG 14 HE ARG 14 13.893 17.196 -7.699 130 1HH1 ARG 14 1HH2 ARG 14 10.795 16.463 -6.877 131 2HH1 ARG 14 2HH2 ARG 14 10.079 16.827 -8.411 132 1HH2 ARG 14 1HH1 ARG 14 13.119 17.112 -10.059 133 2HH2 ARG 14 2HH1 ARG 14 11.396 17.196 -10.214 134 H ALA 15 H ALA 15 10.644 10.922 -6.632 135 HA ALA 15 HA ALA 15 8.567 12.736 -7.753 136 1HB ALA 15 1HB ALA 15 10.190 10.894 -9.011 137 2HB ALA 15 2HB ALA 15 8.653 11.479 -9.649 138 3HB ALA 15 3HB ALA 15 8.712 9.970 -8.737 139 H SER 16 H SER 16 9.235 9.983 -5.703 140 HA SER 16 HA SER 16 6.379 9.342 -5.404 141 1HB SER 16 2HB SER 16 8.028 7.560 -5.703 142 2HB SER 16 1HB SER 16 8.897 8.138 -4.292 143 HG SER 16 HG SER 16 7.519 6.414 -3.751 144 H THR 17 H THR 17 7.760 11.861 -4.291 145 HA THR 17 HA THR 17 6.908 11.463 -1.466 146 HB THR 17 HB THR 17 9.200 13.107 -2.575 147 HG1 THR 17 1HG THR 17 9.614 10.890 -2.543 148 1HG2 THR 17 1HG2 THR 17 7.734 13.335 -0.135 149 2HG2 THR 17 2HG2 THR 17 9.180 14.218 -0.624 150 3HG2 THR 17 3HG2 THR 17 9.332 12.693 0.247 151 H ILE 18 H ILE 18 6.508 13.273 -4.347 152 HA ILE 18 HA ILE 18 5.364 15.589 -2.918 153 HB ILE 18 HB ILE 18 6.017 15.077 -5.805 154 1HG1 ILE 18 2HG1 ILE 18 7.997 15.211 -4.342 155 2HG1 ILE 18 1HG1 ILE 18 7.894 16.632 -5.384 156 1HG2 ILE 18 1HG2 ILE 18 4.248 16.946 -4.757 157 2HG2 ILE 18 2HG2 ILE 18 5.032 17.041 -6.334 158 3HG2 ILE 18 3HG2 ILE 18 5.749 17.851 -4.942 159 1HD1 ILE 18 1HD1 ILE 18 6.385 17.338 -3.153 160 2HD1 ILE 18 2HD1 ILE 18 8.031 17.871 -3.501 161 3HD1 ILE 18 3HD1 ILE 18 7.758 16.462 -2.475 162 H GLU 19 H GLU 19 4.516 12.882 -4.978 163 HA GLU 19 HA GLU 19 1.675 13.750 -4.920 164 1HB GLU 19 2HB GLU 19 2.727 13.665 -7.136 165 2HB GLU 19 1HB GLU 19 3.168 11.989 -6.841 166 1HG GLU 19 2HG GLU 19 1.117 12.121 -8.202 167 2HG GLU 19 1HG GLU 19 0.788 11.383 -6.635 168 H MET 20 H MET 20 3.936 11.304 -3.996 169 HA MET 20 HA MET 20 2.205 9.043 -3.816 170 1HB MET 20 2HB MET 20 4.661 8.986 -3.703 171 2HB MET 20 1HB MET 20 4.625 9.831 -2.166 172 1HG MET 20 2HG MET 20 4.880 7.416 -1.824 173 2HG MET 20 1HG MET 20 3.336 7.978 -1.201 174 1HE MET 20 1HE MET 20 3.781 4.532 -2.335 175 2HE MET 20 2HE MET 20 2.057 4.778 -2.065 176 3HE MET 20 3HE MET 20 3.228 5.595 -1.032 177 HA PRO 21 HA PRO 21 1.315 10.417 0.670 178 1HB PRO 21 2HB PRO 21 1.736 13.035 1.345 179 2HB PRO 21 1HB PRO 21 2.966 11.779 1.548 180 1HG PRO 21 2HG PRO 21 2.719 13.848 -0.534 181 2HG PRO 21 1HG PRO 21 4.167 13.167 0.210 182 1HD PRO 21 2HD PRO 21 3.227 12.495 -2.281 183 2HD PRO 21 1HD PRO 21 4.283 11.468 -1.292 184 H GLN 22 H GLN 22 0.971 13.266 -1.492 185 HA GLN 22 HA GLN 22 -1.619 14.063 -0.672 186 1HB GLN 22 2HB GLN 22 -0.267 14.150 -3.360 187 2HB GLN 22 1HB GLN 22 -1.671 15.114 -2.927 188 1HG GLN 22 2HG GLN 22 1.025 15.203 -1.537 189 2HG GLN 22 1HG GLN 22 0.413 16.415 -2.662 190 1HE2 GLN 22 1HE2 GLN 22 0.719 15.824 0.604 191 2HE2 GLN 22 2HE2 GLN 22 -0.577 16.756 1.179 192 H GLN 23 H GLN 23 -0.573 11.508 -2.860 193 HA GLN 23 HA GLN 23 -3.271 10.908 -3.798 194 1HB GLN 23 2HB GLN 23 -1.261 10.653 -5.195 195 2HB GLN 23 1HB GLN 23 -0.639 9.473 -4.049 196 1HG GLN 23 2HG GLN 23 -2.579 8.014 -4.479 197 2HG GLN 23 1HG GLN 23 -3.201 9.191 -5.635 198 1HE2 GLN 23 1HE2 GLN 23 -2.684 8.658 -7.755 199 2HE2 GLN 23 2HE2 GLN 23 -1.282 7.832 -8.243 200 H ALA 24 H ALA 24 -0.883 9.451 -1.588 201 HA ALA 24 HA ALA 24 -2.225 7.075 -0.899 202 1HB ALA 24 1HB ALA 24 -1.103 8.043 1.463 203 2HB ALA 24 2HB ALA 24 -0.198 8.881 0.201 204 3HB ALA 24 3HB ALA 24 -0.251 7.119 0.227 205 H ARG 25 H ARG 25 -2.679 10.370 0.370 206 HA ARG 25 HA ARG 25 -4.557 9.830 2.415 207 1HB ARG 25 2HB ARG 25 -3.408 11.973 1.967 208 2HB ARG 25 1HB ARG 25 -4.361 12.146 0.501 209 1HG ARG 25 2HG ARG 25 -6.438 12.135 1.851 210 2HG ARG 25 1HG ARG 25 -5.464 12.018 3.318 211 1HD ARG 25 2HD ARG 25 -5.313 14.291 1.301 212 2HD ARG 25 1HD ARG 25 -6.101 14.374 2.889 213 HE ARG 25 HE ARG 25 -3.473 13.388 3.300 214 1HH1 ARG 25 1HH2 ARG 25 -3.324 15.642 1.116 215 2HH1 ARG 25 2HH2 ARG 25 -2.867 16.980 2.117 216 1HH2 ARG 25 1HH1 ARG 25 -3.637 15.363 5.087 217 2HH2 ARG 25 2HH1 ARG 25 -3.038 16.820 4.366 218 H GLN 26 H GLN 26 -5.123 10.659 -1.008 219 HA GLN 26 HA GLN 26 -7.974 10.253 -0.909 220 1HB GLN 26 2HB GLN 26 -5.989 10.304 -3.172 221 2HB GLN 26 1HB GLN 26 -7.729 10.495 -3.356 222 1HG GLN 26 2HG GLN 26 -5.911 12.313 -1.750 223 2HG GLN 26 1HG GLN 26 -6.592 12.689 -3.333 224 1HE2 GLN 26 1HE2 GLN 26 -7.107 13.218 -0.072 225 2HE2 GLN 26 2HE2 GLN 26 -8.781 13.495 -0.103 226 H ASN 27 H ASN 27 -5.343 8.366 -2.406 227 HA ASN 27 HA ASN 27 -6.836 6.143 -3.256 228 1HB ASN 27 2HB ASN 27 -4.505 6.615 -3.831 229 2HB ASN 27 1HB ASN 27 -4.039 6.311 -2.164 230 1HD2 ASN 27 1HD2 ASN 27 -3.169 4.256 -1.905 231 2HD2 ASN 27 2HD2 ASN 27 -3.656 2.876 -2.766 232 H LEU 28 H LEU 28 -5.974 7.096 -0.027 233 HA LEU 28 HA LEU 28 -5.911 4.697 1.406 234 1HB LEU 28 2HB LEU 28 -5.602 7.051 2.217 235 2HB LEU 28 1HB LEU 28 -7.346 7.234 2.155 236 HG LEU 28 HG LEU 28 -5.972 5.084 3.784 237 1HD1 LEU 28 1HD1 LEU 28 -6.695 7.929 4.417 238 2HD1 LEU 28 2HD1 LEU 28 -5.268 7.011 4.900 239 3HD1 LEU 28 3HD1 LEU 28 -6.819 6.707 5.682 240 1HD2 LEU 28 1HD2 LEU 28 -8.397 5.657 4.942 241 2HD2 LEU 28 2HD2 LEU 28 -8.121 4.334 3.808 242 3HD2 LEU 28 3HD2 LEU 28 -8.760 5.871 3.229 243 H GLN 29 H GLN 29 -8.700 6.359 -0.011 244 HA GLN 29 HA GLN 29 -10.817 5.007 1.281 245 1HB GLN 29 2HB GLN 29 -12.074 5.574 -0.756 246 2HB GLN 29 1HB GLN 29 -10.987 6.898 -0.337 247 1HG GLN 29 2HG GLN 29 -9.330 6.030 -1.970 248 2HG GLN 29 1HG GLN 29 -10.460 4.753 -2.414 249 1HE2 GLN 29 1HE2 GLN 29 -11.588 5.270 -4.289 250 2HE2 GLN 29 2HE2 GLN 29 -12.071 6.834 -4.740 251 H ASN 30 H ASN 30 -8.752 3.952 -1.400 252 HA ASN 30 HA ASN 30 -10.195 1.478 -1.851 253 1HB ASN 30 2HB ASN 30 -7.473 2.453 -2.675 254 2HB ASN 30 1HB ASN 30 -8.292 1.060 -3.370 255 1HD2 ASN 30 1HD2 ASN 30 -7.707 4.277 -3.976 256 2HD2 ASN 30 2HD2 ASN 30 -9.082 4.647 -4.901 257 H LEU 31 H LEU 31 -7.215 2.419 -0.150 258 HA LEU 31 HA LEU 31 -6.183 -0.111 0.506 259 1HB LEU 31 2HB LEU 31 -5.121 2.072 0.932 260 2HB LEU 31 1HB LEU 31 -6.331 2.396 2.165 261 HG LEU 31 HG LEU 31 -5.571 0.442 3.455 262 1HD1 LEU 31 1HD1 LEU 31 -3.853 0.094 1.020 263 2HD1 LEU 31 2HD1 LEU 31 -4.734 -1.119 1.947 264 3HD1 LEU 31 3HD1 LEU 31 -3.236 -0.441 2.583 265 1HD2 LEU 31 1HD2 LEU 31 -4.454 2.347 4.201 266 2HD2 LEU 31 2HD2 LEU 31 -3.633 2.594 2.660 267 3HD2 LEU 31 3HD2 LEU 31 -3.098 1.315 3.750 268 H PHE 32 H PHE 32 -8.874 1.670 1.943 269 HA PHE 32 HA PHE 32 -9.282 0.134 4.289 270 1HB PHE 32 2HB PHE 32 -10.388 2.263 3.766 271 2HB PHE 32 1HB PHE 32 -11.233 1.510 2.415 272 HD1 PHE 32 1HD PHE 32 -10.618 0.721 6.043 273 HD2 PHE 32 2HD PHE 32 -13.454 0.976 2.823 274 HE1 PHE 32 1HE PHE 32 -12.427 -0.015 7.574 275 HE2 PHE 32 2HE PHE 32 -15.258 0.241 4.356 276 HZ PHE 32 HZ PHE 32 -14.745 -0.254 6.730 277 H ILE 33 H ILE 33 -11.072 -0.174 1.198 278 HA ILE 33 HA ILE 33 -12.190 -2.743 1.848 279 HB ILE 33 HB ILE 33 -11.743 -1.331 -0.772 280 1HG1 ILE 33 2HG1 ILE 33 -13.009 0.016 0.852 281 2HG1 ILE 33 1HG1 ILE 33 -14.070 -0.543 -0.443 282 1HG2 ILE 33 1HG2 ILE 33 -13.300 -3.761 0.025 283 2HG2 ILE 33 2HG2 ILE 33 -12.336 -3.484 -1.424 284 3HG2 ILE 33 3HG2 ILE 33 -13.922 -2.729 -1.261 285 1HD1 ILE 33 1HD1 ILE 33 -15.396 -1.261 1.262 286 2HD1 ILE 33 2HD1 ILE 33 -14.071 -1.245 2.426 287 3HD1 ILE 33 3HD1 ILE 33 -14.268 -2.614 1.331 288 H ASN 34 H ASN 34 -9.303 -1.720 0.039 289 HA ASN 34 HA ASN 34 -8.542 -4.193 -1.101 290 1HB ASN 34 2HB ASN 34 -7.491 -1.988 -1.518 291 2HB ASN 34 1HB ASN 34 -6.843 -1.991 0.124 292 1HD2 ASN 34 1HD2 ASN 34 -4.698 -2.651 0.177 293 2HD2 ASN 34 2HD2 ASN 34 -3.993 -3.779 -0.877 294 H PHE 35 H PHE 35 -7.823 -2.859 2.132 295 HA PHE 35 HA PHE 35 -6.272 -5.059 3.086 296 1HB PHE 35 2HB PHE 35 -6.397 -2.790 4.081 297 2HB PHE 35 1HB PHE 35 -8.075 -3.084 4.526 298 HD1 PHE 35 1HD PHE 35 -8.479 -5.314 5.948 299 HD2 PHE 35 2HD PHE 35 -4.735 -3.225 5.645 300 HE1 PHE 35 1HE PHE 35 -7.711 -6.385 8.046 301 HE2 PHE 35 2HE PHE 35 -3.972 -4.293 7.747 302 HZ PHE 35 HZ PHE 35 -5.459 -5.874 8.948 303 H CYS 36 H CYS 36 -9.723 -4.503 2.800 304 HA CYS 36 HA CYS 36 -10.368 -6.938 4.338 305 1HB CYS 36 2HB CYS 36 -12.046 -4.784 3.022 306 2HB CYS 36 1HB CYS 36 -12.687 -6.075 4.037 307 HG CYS 36 HG CYS 36 -12.080 -4.730 6.016 308 H LEU 37 H LEU 37 -9.461 -6.307 1.211 309 HA LEU 37 HA LEU 37 -11.263 -8.390 0.090 310 1HB LEU 37 2HB LEU 37 -11.533 -6.125 -0.828 311 2HB LEU 37 1HB LEU 37 -9.819 -6.104 -1.249 312 HG LEU 37 HG LEU 37 -10.136 -8.030 -2.735 313 1HD1 LEU 37 1HD2 LEU 37 -12.814 -8.366 -3.122 314 2HD1 LEU 37 2HD2 LEU 37 -12.778 -8.061 -1.386 315 3HD1 LEU 37 3HD2 LEU 37 -11.847 -9.395 -2.068 316 1HD2 LEU 37 1HD1 LEU 37 -12.400 -6.356 -3.600 317 2HD2 LEU 37 2HD1 LEU 37 -10.883 -6.713 -4.427 318 3HD2 LEU 37 3HD1 LEU 37 -10.940 -5.461 -3.185 319 H ILE 38 H ILE 38 -8.021 -7.644 0.904 320 HA ILE 38 HA ILE 38 -7.029 -9.786 -0.935 321 HB ILE 38 HB ILE 38 -5.596 -7.522 0.433 322 1HG1 ILE 38 2HG1 ILE 38 -7.157 -6.753 -1.317 323 2HG1 ILE 38 1HG1 ILE 38 -5.483 -6.531 -1.826 324 1HG2 ILE 38 1HG2 ILE 38 -4.716 -9.674 -1.484 325 2HG2 ILE 38 2HG2 ILE 38 -4.002 -9.240 0.069 326 3HG2 ILE 38 3HG2 ILE 38 -3.821 -8.164 -1.317 327 1HD1 ILE 38 1HD1 ILE 38 -5.922 -7.767 -3.654 328 2HD1 ILE 38 2HD1 ILE 38 -7.550 -8.112 -3.069 329 3HD1 ILE 38 3HD1 ILE 38 -6.204 -9.154 -2.603 330 H LEU 39 H LEU 39 -7.427 -8.804 2.359 331 HA LEU 39 HA LEU 39 -5.434 -10.270 3.690 332 1HB LEU 39 2HB LEU 39 -6.843 -10.042 5.618 333 2HB LEU 39 1HB LEU 39 -7.140 -8.626 4.618 334 HG LEU 39 HG LEU 39 -8.880 -11.115 4.618 335 1HD1 LEU 39 1HD1 LEU 39 -9.257 -10.145 6.727 336 2HD1 LEU 39 2HD1 LEU 39 -10.500 -9.398 5.722 337 3HD1 LEU 39 3HD1 LEU 39 -9.031 -8.506 6.116 338 1HD2 LEU 39 1HD2 LEU 39 -9.135 -9.995 2.529 339 2HD2 LEU 39 2HD2 LEU 39 -9.091 -8.408 3.292 340 3HD2 LEU 39 3HD2 LEU 39 -10.491 -9.456 3.517 341 H ILE 40 H ILE 40 -8.140 -11.526 1.884 342 HA ILE 40 HA ILE 40 -7.261 -14.244 2.442 343 HB ILE 40 HB ILE 40 -8.487 -13.645 4.485 344 1HG1 ILE 40 2HG1 ILE 40 -10.006 -15.571 2.697 345 2HG1 ILE 40 1HG1 ILE 40 -8.593 -15.974 3.672 346 1HG2 ILE 40 1HG2 ILE 40 -11.054 -13.502 2.963 347 2HG2 ILE 40 2HG2 ILE 40 -10.022 -12.072 2.967 348 3HG2 ILE 40 3HG2 ILE 40 -10.612 -12.740 4.490 349 1HD1 ILE 40 1HD1 ILE 40 -10.720 -14.649 5.202 350 2HD1 ILE 40 2HD1 ILE 40 -9.807 -16.110 5.578 351 3HD1 ILE 40 3HD1 ILE 40 -11.211 -16.197 4.515 352 H PHE 41 H PHE 41 -9.736 -12.129 0.968 353 HA PHE 41 HA PHE 41 -11.122 -14.111 -0.513 354 1HB PHE 41 2HB PHE 41 -10.498 -11.198 -0.986 355 2HB PHE 41 1HB PHE 41 -11.597 -12.108 -2.022 356 HD1 PHE 41 1HD PHE 41 -13.391 -13.567 -0.705 357 HD2 PHE 41 2HD PHE 41 -11.401 -10.110 0.883 358 HE1 PHE 41 1HE PHE 41 -15.206 -13.287 0.960 359 HE2 PHE 41 2HE PHE 41 -13.220 -9.825 2.543 360 HZ PHE 41 HZ PHE 41 -15.124 -11.415 2.583 361 H LEU 42 H LEU 42 -7.883 -12.953 -0.964 362 HA LEU 42 HA LEU 42 -7.798 -13.899 -3.756 363 1HB LEU 42 2HB LEU 42 -5.954 -12.408 -1.903 364 2HB LEU 42 1HB LEU 42 -5.337 -13.099 -3.403 365 HG LEU 42 HG LEU 42 -6.032 -10.744 -3.714 366 1HD1 LEU 42 1HD2 LEU 42 -6.642 -12.923 -5.310 367 2HD1 LEU 42 2HD2 LEU 42 -6.735 -11.234 -5.809 368 3HD1 LEU 42 3HD2 LEU 42 -8.176 -12.059 -5.219 369 1HD2 LEU 42 1HD1 LEU 42 -8.896 -11.548 -3.383 370 2HD2 LEU 42 2HD1 LEU 42 -8.156 -9.953 -3.232 371 3HD2 LEU 42 3HD1 LEU 42 -7.963 -11.142 -1.943 372 H LEU 43 H LEU 43 -7.101 -15.029 -0.572 373 HA LEU 43 HA LEU 43 -5.220 -17.093 -1.492 374 1HB LEU 43 2HB LEU 43 -4.905 -15.885 0.639 375 2HB LEU 43 1HB LEU 43 -6.470 -16.476 1.203 376 HG LEU 43 HG LEU 43 -5.661 -18.800 1.017 377 1HD1 LEU 43 1HD2 LEU 43 -3.232 -17.386 -0.059 378 2HD1 LEU 43 2HD2 LEU 43 -4.065 -18.801 -0.701 379 3HD1 LEU 43 3HD2 LEU 43 -3.063 -18.948 0.742 380 1HD2 LEU 43 1HD1 LEU 43 -4.382 -18.775 2.991 381 2HD2 LEU 43 2HD1 LEU 43 -5.248 -17.239 3.067 382 3HD2 LEU 43 3HD1 LEU 43 -3.562 -17.276 2.550 383 H LEU 44 H LEU 44 -8.428 -16.965 0.098 384 HA LEU 44 HA LEU 44 -9.026 -19.714 0.104 385 1HB LEU 44 2HB LEU 44 -10.189 -17.662 1.139 386 2HB LEU 44 1HB LEU 44 -10.976 -17.460 -0.426 387 HG LEU 44 HG LEU 44 -11.069 -19.986 1.226 388 1HD1 LEU 44 1HD1 LEU 44 -12.277 -17.795 2.047 389 2HD1 LEU 44 2HD1 LEU 44 -13.154 -19.327 2.056 390 3HD1 LEU 44 3HD1 LEU 44 -13.414 -18.170 0.751 391 1HD2 LEU 44 1HD2 LEU 44 -11.572 -20.762 -0.883 392 2HD2 LEU 44 2HD2 LEU 44 -12.096 -19.176 -1.451 393 3HD2 LEU 44 3HD2 LEU 44 -13.170 -20.152 -0.449 394 H ILE 45 H ILE 45 -9.575 -17.270 -2.447 395 HA ILE 45 HA ILE 45 -11.069 -18.803 -4.276 396 HB ILE 45 HB ILE 45 -10.455 -16.347 -4.281 397 1HG1 ILE 45 2HG1 ILE 45 -11.495 -17.468 -6.260 398 2HG1 ILE 45 1HG1 ILE 45 -10.467 -16.109 -6.699 399 1HG2 ILE 45 1HG2 ILE 45 -8.361 -15.614 -5.133 400 2HG2 ILE 45 2HG2 ILE 45 -7.926 -17.235 -5.672 401 3HG2 ILE 45 3HG2 ILE 45 -7.975 -16.862 -3.949 402 1HD1 ILE 45 1HD1 ILE 45 -9.538 -17.568 -8.167 403 2HD1 ILE 45 2HD1 ILE 45 -10.157 -18.974 -7.305 404 3HD1 ILE 45 3HD1 ILE 45 -8.676 -18.189 -6.761 405 H CYS 46 H CYS 46 -7.640 -18.978 -3.506 406 HA CYS 46 HA CYS 46 -6.864 -20.494 -5.845 407 1HB CYS 46 2HB CYS 46 -5.397 -19.065 -4.470 408 2HB CYS 46 1HB CYS 46 -5.605 -20.180 -3.134 409 HG CYS 46 HG CYS 46 -4.600 -22.000 -5.033 410 H ILE 47 H ILE 47 -8.477 -21.329 -2.929 411 HA ILE 47 HA ILE 47 -7.518 -24.058 -2.759 412 HB ILE 47 HB ILE 47 -9.768 -22.460 -1.520 413 1HG1 ILE 47 2HG1 ILE 47 -8.405 -22.815 0.543 414 2HG1 ILE 47 1HG1 ILE 47 -7.196 -23.650 -0.429 415 1HG2 ILE 47 1HG2 ILE 47 -9.690 -24.600 0.076 416 2HG2 ILE 47 2HG2 ILE 47 -9.228 -25.391 -1.432 417 3HG2 ILE 47 3HG2 ILE 47 -10.761 -24.525 -1.324 418 1HD1 ILE 47 1HD1 ILE 47 -6.599 -21.683 -1.588 419 2HD1 ILE 47 2HD1 ILE 47 -6.809 -21.144 0.079 420 3HD1 ILE 47 3HD1 ILE 47 -8.075 -20.850 -1.110 421 H ILE 48 H ILE 48 -10.129 -22.413 -4.440 422 HA ILE 48 HA ILE 48 -11.433 -24.963 -5.128 423 HB ILE 48 HB ILE 48 -13.139 -23.496 -6.118 424 1HG1 ILE 48 2HG1 ILE 48 -11.281 -21.227 -5.348 425 2HG1 ILE 48 1HG1 ILE 48 -11.540 -21.788 -6.998 426 1HG2 ILE 48 1HG2 ILE 48 -12.748 -23.839 -3.520 427 2HG2 ILE 48 2HG2 ILE 48 -13.969 -22.706 -4.101 428 3HG2 ILE 48 3HG2 ILE 48 -12.397 -22.112 -3.567 429 1HD1 ILE 48 1HD1 ILE 48 -14.115 -21.427 -5.993 430 2HD1 ILE 48 2HD1 ILE 48 -13.265 -20.333 -7.085 431 3HD1 ILE 48 3HD1 ILE 48 -13.210 -20.059 -5.343 432 H VAL 49 H VAL 49 -9.294 -22.582 -6.552 433 HA VAL 49 HA VAL 49 -9.735 -23.363 -9.319 434 HB VAL 49 HB VAL 49 -7.750 -21.958 -9.686 435 1HG1 VAL 49 1HG1 VAL 49 -8.491 -19.954 -8.197 436 2HG1 VAL 49 2HG1 VAL 49 -9.784 -21.036 -7.680 437 3HG1 VAL 49 3HG1 VAL 49 -9.628 -20.600 -9.381 438 1HG2 VAL 49 1HG2 VAL 49 -6.523 -21.043 -7.729 439 2HG2 VAL 49 2HG2 VAL 49 -6.327 -22.786 -7.918 440 3HG2 VAL 49 3HG2 VAL 49 -7.427 -22.149 -6.700 441 H MET 50 H MET 50 -7.490 -24.340 -6.759 442 HA MET 50 HA MET 50 -5.799 -25.971 -8.423 443 1HB MET 50 2HB MET 50 -6.345 -25.904 -5.469 444 2HB MET 50 1HB MET 50 -4.990 -26.748 -6.207 445 1HG MET 50 2HG MET 50 -5.527 -23.774 -6.455 446 2HG MET 50 1HG MET 50 -4.344 -24.497 -5.366 447 1HE MET 50 1HE MET 50 -3.070 -26.378 -6.092 448 2HE MET 50 2HE MET 50 -1.685 -25.892 -7.067 449 3HE MET 50 3HE MET 50 -2.921 -26.936 -7.764 450 H LEU 51 H LEU 51 -8.932 -26.460 -7.054 451 HA LEU 51 HA LEU 51 -8.689 -29.406 -7.570 452 1HB LEU 51 2HB LEU 51 -10.368 -27.877 -5.557 453 2HB LEU 51 1HB LEU 51 -10.358 -29.632 -5.749 454 HG LEU 51 HG LEU 51 -7.954 -27.931 -5.023 455 1HD1 LEU 51 1HD2 LEU 51 -8.335 -29.639 -2.949 456 2HD1 LEU 51 2HD2 LEU 51 -10.007 -29.389 -3.452 457 3HD1 LEU 51 3HD2 LEU 51 -9.008 -28.010 -2.994 458 1HD2 LEU 51 1HD1 LEU 51 -7.426 -30.593 -4.437 459 2HD2 LEU 51 2HD1 LEU 51 -6.819 -29.711 -5.838 460 3HD2 LEU 51 3HD1 LEU 51 -8.285 -30.680 -5.976 461 H LEU 52 H LEU 52 -11.028 -26.690 -7.476 462 HA LEU 52 HA LEU 52 -12.753 -28.174 -9.410 463 1HB LEU 52 2HB LEU 52 -13.205 -25.697 -7.712 464 2HB LEU 52 1HB LEU 52 -14.438 -26.514 -8.674 465 HG LEU 52 HG LEU 52 -12.885 -27.751 -6.381 466 1HD1 LEU 52 1HD1 LEU 52 -15.728 -26.742 -6.651 467 2HD1 LEU 52 2HD1 LEU 52 -14.498 -26.192 -5.513 468 3HD1 LEU 52 3HD1 LEU 52 -15.200 -27.801 -5.343 469 1HD2 LEU 52 1HD2 LEU 52 -15.180 -29.253 -7.049 470 2HD2 LEU 52 2HD2 LEU 52 -13.496 -29.717 -7.298 471 3HD2 LEU 52 3HD2 LEU 52 -14.381 -28.889 -8.580 Start of MODEL 9 1 1H MET 1 1HT MET 1 21.931 2.634 -21.977 2 2H MET 1 2HT MET 1 22.917 3.022 -20.649 3 H MET 1 H MET 1 22.566 3.913 -20.758 4 3H MET 1 3HT MET 1 21.820 4.166 -21.257 5 HA MET 1 HA MET 1 19.961 2.755 -20.585 6 1HB MET 1 2HB MET 1 21.216 0.678 -20.935 7 2HB MET 1 1HB MET 1 22.223 1.058 -19.554 8 1HG MET 1 2HG MET 1 20.457 -0.541 -18.947 9 2HG MET 1 1HG MET 1 20.255 0.984 -18.104 10 1HE MET 1 1HE MET 1 18.123 -0.969 -21.453 11 2HE MET 1 2HE MET 1 19.852 -0.689 -21.261 12 3HE MET 1 3HE MET 1 18.870 0.480 -22.140 13 H ASP 2 H ASP 2 22.563 4.471 -19.354 14 HA ASP 2 HA ASP 2 21.303 4.632 -16.636 15 1HB ASP 2 2HB ASP 2 23.589 3.713 -16.692 16 2HB ASP 2 1HB ASP 2 24.148 5.145 -17.559 17 H LYS 3 H LYS 3 21.551 6.285 -19.532 18 HA LYS 3 HA LYS 3 21.511 8.955 -18.184 19 1HB LYS 3 2HB LYS 3 22.252 9.805 -20.356 20 2HB LYS 3 1HB LYS 3 23.315 8.501 -19.827 21 1HG LYS 3 2HG LYS 3 22.116 6.910 -21.254 22 2HG LYS 3 1HG LYS 3 21.002 8.182 -21.757 23 1HD LYS 3 2HD LYS 3 22.750 7.893 -23.448 24 2HD LYS 3 1HD LYS 3 22.911 9.467 -22.666 25 1HE LYS 3 2HE LYS 3 24.683 8.584 -21.197 26 2HE LYS 3 1HE LYS 3 24.514 6.985 -21.949 27 1HZ LYS 3 1HZ LYS 3 24.892 8.108 -24.125 28 2HZ LYS 3 2HZ LYS 3 26.243 8.127 -23.095 29 3HZ LYS 3 3HZ LYS 3 25.293 9.524 -23.280 30 H VAL 4 H VAL 4 19.818 6.775 -20.378 31 HA VAL 4 HA VAL 4 17.738 8.747 -21.032 32 HB VAL 4 HB VAL 4 18.496 7.014 -22.615 33 1HG1 VAL 4 1HG2 VAL 4 18.239 5.355 -20.278 34 2HG1 VAL 4 2HG2 VAL 4 18.956 4.953 -21.838 35 3HG1 VAL 4 3HG2 VAL 4 17.233 4.699 -21.569 36 1HG2 VAL 4 1HG1 VAL 4 16.112 7.842 -22.626 37 2HG2 VAL 4 2HG1 VAL 4 15.674 6.414 -21.686 38 3HG2 VAL 4 3HG1 VAL 4 16.318 6.233 -23.317 39 H GLN 5 H GLN 5 18.365 6.566 -18.450 40 HA GLN 5 HA GLN 5 15.593 6.031 -17.750 41 1HB GLN 5 2HB GLN 5 18.218 5.734 -16.259 42 2HB GLN 5 1HB GLN 5 16.684 5.023 -15.756 43 1HG GLN 5 2HG GLN 5 18.115 4.458 -18.371 44 2HG GLN 5 1HG GLN 5 18.058 3.376 -16.978 45 1HE2 GLN 5 1HE2 GLN 5 16.591 3.908 -19.926 46 2HE2 GLN 5 2HE2 GLN 5 15.078 3.207 -19.614 47 H TYR 6 H TYR 6 18.138 7.637 -15.816 48 HA TYR 6 HA TYR 6 16.373 9.046 -14.108 49 1HB TYR 6 2HB TYR 6 19.189 9.660 -15.050 50 2HB TYR 6 1HB TYR 6 18.427 10.405 -13.650 51 HD1 TYR 6 1HD TYR 6 20.803 9.240 -12.915 52 HD2 TYR 6 2HD TYR 6 17.110 7.172 -13.679 53 HE1 TYR 6 1HE TYR 6 21.559 7.358 -11.493 54 HE2 TYR 6 2HE TYR 6 17.873 5.292 -12.256 55 HH TYR 6 HH TYR 6 19.517 5.007 -10.317 56 H LEU 7 H LEU 7 17.731 9.960 -17.266 57 HA LEU 7 HA LEU 7 17.068 12.699 -17.306 58 1HB LEU 7 2HB LEU 7 18.413 11.569 -18.991 59 2HB LEU 7 1HB LEU 7 17.017 10.620 -19.478 60 HG LEU 7 HG LEU 7 15.832 12.685 -20.136 61 1HD1 LEU 7 1HD2 LEU 7 17.218 14.795 -20.252 62 2HD1 LEU 7 2HD2 LEU 7 18.436 13.974 -19.275 63 3HD1 LEU 7 3HD2 LEU 7 16.830 14.271 -18.613 64 1HD2 LEU 7 1HD1 LEU 7 16.837 11.873 -22.038 65 2HD2 LEU 7 2HD1 LEU 7 18.445 11.876 -21.317 66 3HD2 LEU 7 3HD1 LEU 7 17.739 13.383 -21.901 67 H THR 8 H THR 8 15.076 9.894 -18.231 68 HA THR 8 HA THR 8 12.765 11.452 -18.962 69 HB THR 8 HB THR 8 13.041 8.579 -18.057 70 HG1 THR 8 1HG THR 8 14.265 8.673 -19.808 71 1HG2 THR 8 1HG2 THR 8 11.002 8.263 -19.472 72 2HG2 THR 8 2HG2 THR 8 10.911 10.015 -19.655 73 3HG2 THR 8 3HG2 THR 8 10.720 9.284 -18.062 74 H ARG 9 H ARG 9 13.858 9.961 -15.928 75 HA ARG 9 HA ARG 9 11.529 10.052 -14.377 76 1HB ARG 9 2HB ARG 9 14.396 10.665 -13.724 77 2HB ARG 9 1HB ARG 9 13.166 10.430 -12.492 78 1HG ARG 9 2HG ARG 9 13.900 8.399 -14.621 79 2HG ARG 9 1HG ARG 9 14.451 8.347 -12.946 80 1HD ARG 9 2HD ARG 9 12.067 8.260 -12.194 81 2HD ARG 9 1HD ARG 9 11.568 8.188 -13.894 82 HE ARG 9 HE ARG 9 12.601 5.968 -12.408 83 1HH1 ARG 9 1HH1 ARG 9 11.200 6.129 -15.190 84 2HH1 ARG 9 2HH1 ARG 9 12.400 5.356 -16.173 85 1HH2 ARG 9 1HH2 ARG 9 14.890 5.578 -13.769 86 2HH2 ARG 9 2HH2 ARG 9 14.489 5.040 -15.365 87 H SER 10 H SER 10 13.784 12.691 -15.125 88 HA SER 10 HA SER 10 12.536 14.675 -13.480 89 1HB SER 10 2HB SER 10 13.844 16.215 -14.907 90 2HB SER 10 1HB SER 10 14.808 14.810 -14.459 91 HG SER 10 HG SER 10 14.767 14.129 -16.469 92 H ALA 11 H ALA 11 11.657 13.247 -16.535 93 HA ALA 11 HA ALA 11 9.930 15.446 -17.380 94 1HB ALA 11 1HB ALA 11 11.181 13.798 -18.850 95 2HB ALA 11 2HB ALA 11 9.469 13.976 -19.236 96 3HB ALA 11 3HB ALA 11 10.027 12.572 -18.326 97 H ILE 12 H ILE 12 9.645 12.610 -15.393 98 HA ILE 12 HA ILE 12 6.689 12.827 -15.390 99 HB ILE 12 HB ILE 12 8.558 10.651 -14.502 100 1HG1 ILE 12 2HG1 ILE 12 6.783 10.875 -16.947 101 2HG1 ILE 12 1HG1 ILE 12 8.542 11.007 -16.947 102 1HG2 ILE 12 1HG2 ILE 12 6.034 9.574 -14.933 103 2HG2 ILE 12 2HG2 ILE 12 5.702 11.103 -14.124 104 3HG2 ILE 12 3HG2 ILE 12 6.752 9.912 -13.358 105 1HD1 ILE 12 1HD1 ILE 12 6.852 8.612 -16.826 106 2HD1 ILE 12 2HD1 ILE 12 8.116 8.633 -15.597 107 3HD1 ILE 12 3HD1 ILE 12 8.543 8.772 -17.303 108 H ARG 13 H ARG 13 9.562 13.079 -13.432 109 HA ARG 13 HA ARG 13 8.562 12.835 -10.814 110 1HB ARG 13 2HB ARG 13 10.931 13.159 -11.600 111 2HB ARG 13 1HB ARG 13 10.555 14.858 -11.886 112 1HG ARG 13 2HG ARG 13 11.614 14.633 -9.700 113 2HG ARG 13 1HG ARG 13 9.927 15.074 -9.481 114 1HD ARG 13 2HD ARG 13 9.334 12.730 -9.047 115 2HD ARG 13 1HD ARG 13 11.022 12.275 -9.289 116 HE ARG 13 HE ARG 13 9.987 13.417 -6.887 117 1HH1 ARG 13 1HH2 ARG 13 12.539 11.989 -6.840 118 2HH1 ARG 13 2HH2 ARG 13 13.706 13.255 -6.642 119 1HH2 ARG 13 1HH1 ARG 13 11.525 15.777 -7.599 120 2HH2 ARG 13 2HH1 ARG 13 13.132 15.399 -7.076 121 H ARG 14 H ARG 14 8.465 15.626 -13.016 122 HA ARG 14 HA ARG 14 7.487 17.621 -11.322 123 1HB ARG 14 2HB ARG 14 8.222 17.736 -13.728 124 2HB ARG 14 1HB ARG 14 6.671 17.022 -14.181 125 1HG ARG 14 2HG ARG 14 5.486 18.891 -13.122 126 2HG ARG 14 1HG ARG 14 7.033 19.581 -12.633 127 1HD ARG 14 2HD ARG 14 7.696 19.852 -14.987 128 2HD ARG 14 1HD ARG 14 6.172 19.111 -15.509 129 HE ARG 14 HE ARG 14 6.454 21.840 -14.666 130 1HH1 ARG 14 1HH2 ARG 14 4.246 19.441 -15.452 131 2HH1 ARG 14 2HH2 ARG 14 2.898 20.167 -14.644 132 1HH2 ARG 14 1HH1 ARG 14 4.802 22.635 -13.121 133 2HH2 ARG 14 2HH1 ARG 14 3.213 21.978 -13.324 134 H ALA 15 H ALA 15 5.773 14.872 -12.739 135 HA ALA 15 HA ALA 15 3.194 15.906 -11.719 136 1HB ALA 15 1HB ALA 15 2.451 15.000 -13.641 137 2HB ALA 15 2HB ALA 15 3.015 13.412 -13.120 138 3HB ALA 15 3HB ALA 15 4.098 14.484 -14.007 139 H SER 16 H SER 16 5.422 13.165 -11.368 140 HA SER 16 HA SER 16 3.673 11.646 -9.624 141 1HB SER 16 2HB SER 16 5.617 10.202 -9.468 142 2HB SER 16 1HB SER 16 5.499 10.804 -11.116 143 HG SER 16 HG SER 16 7.624 10.944 -10.096 144 H THR 17 H THR 17 5.287 14.487 -9.076 145 HA THR 17 HA THR 17 5.599 13.883 -6.178 146 HB THR 17 HB THR 17 7.178 15.777 -7.944 147 HG1 THR 17 1HG THR 17 7.794 13.720 -8.392 148 1HG2 THR 17 1HG2 THR 17 8.478 15.146 -5.486 149 2HG2 THR 17 2HG2 THR 17 6.835 15.658 -5.107 150 3HG2 THR 17 3HG2 THR 17 7.895 16.717 -6.037 151 H ILE 18 H ILE 18 3.487 15.241 -8.122 152 HA ILE 18 HA ILE 18 3.074 17.642 -6.428 153 HB ILE 18 HB ILE 18 2.472 17.182 -9.334 154 1HG1 ILE 18 2HG1 ILE 18 4.867 17.525 -8.834 155 2HG1 ILE 18 1HG1 ILE 18 4.198 18.913 -9.695 156 1HG2 ILE 18 1HG2 ILE 18 0.797 18.626 -8.207 157 2HG2 ILE 18 2HG2 ILE 18 1.768 19.530 -9.369 158 3HG2 ILE 18 3HG2 ILE 18 2.105 19.666 -7.642 159 1HD1 ILE 18 1HD1 ILE 18 3.734 19.428 -6.966 160 2HD1 ILE 18 2HD1 ILE 18 4.912 20.221 -8.009 161 3HD1 ILE 18 3HD1 ILE 18 5.385 18.814 -7.057 162 H GLU 19 H GLU 19 1.687 14.775 -7.872 163 HA GLU 19 HA GLU 19 -0.932 15.450 -6.646 164 1HB GLU 19 2HB GLU 19 -0.951 15.338 -9.085 165 2HB GLU 19 1HB GLU 19 -0.224 13.740 -9.011 166 1HG GLU 19 2HG GLU 19 -2.624 13.504 -9.363 167 2HG GLU 19 1HG GLU 19 -2.212 12.921 -7.753 168 H MET 20 H MET 20 1.743 13.317 -6.573 169 HA MET 20 HA MET 20 0.605 10.849 -5.816 170 1HB MET 20 2HB MET 20 2.962 11.226 -6.360 171 2HB MET 20 1HB MET 20 3.157 12.212 -4.913 172 1HG MET 20 2HG MET 20 2.569 10.275 -3.505 173 2HG MET 20 1HG MET 20 2.373 9.284 -4.952 174 1HE MET 20 1HE MET 20 5.370 12.069 -4.534 175 2HE MET 20 2HE MET 20 6.135 11.169 -3.229 176 3HE MET 20 3HE MET 20 4.452 11.669 -3.076 177 HA PRO 21 HA PRO 21 0.708 12.328 -1.270 178 1HB PRO 21 2HB PRO 21 0.673 15.023 -0.782 179 2HB PRO 21 1HB PRO 21 2.165 14.081 -0.909 180 1HG PRO 21 2HG PRO 21 0.897 15.866 -2.880 181 2HG PRO 21 1HG PRO 21 2.608 15.589 -2.552 182 1HD PRO 21 2HD PRO 21 1.246 14.521 -4.673 183 2HD PRO 21 1HD PRO 21 2.720 13.817 -3.977 184 H GLN 22 H GLN 22 -0.948 14.587 -3.483 185 HA GLN 22 HA GLN 22 -3.305 14.908 -1.859 186 1HB GLN 22 2HB GLN 22 -2.817 15.175 -4.818 187 2HB GLN 22 1HB GLN 22 -4.212 15.830 -3.975 188 1HG GLN 22 2HG GLN 22 -1.335 16.542 -3.347 189 2HG GLN 22 1HG GLN 22 -2.402 17.520 -4.349 190 1HE2 GLN 22 1HE2 GLN 22 -4.545 16.335 -2.129 191 2HE2 GLN 22 2HE2 GLN 22 -4.396 17.515 -0.927 192 H GLN 23 H GLN 23 -2.341 12.607 -4.356 193 HA GLN 23 HA GLN 23 -4.959 11.337 -4.475 194 1HB GLN 23 2HB GLN 23 -3.504 11.525 -6.426 195 2HB GLN 23 1HB GLN 23 -2.252 10.636 -5.574 196 1HG GLN 23 2HG GLN 23 -3.440 9.131 -7.095 197 2HG GLN 23 1HG GLN 23 -3.753 8.672 -5.424 198 1HE2 GLN 23 1HE2 GLN 23 -5.304 9.191 -8.349 199 2HE2 GLN 23 2HE2 GLN 23 -6.865 9.526 -7.771 200 H ALA 24 H ALA 24 -1.751 10.577 -3.125 201 HA ALA 24 HA ALA 24 -2.225 7.964 -2.183 202 1HB ALA 24 1HB ALA 24 -0.462 8.547 -0.533 203 2HB ALA 24 2HB ALA 24 -0.696 10.255 -0.899 204 3HB ALA 24 3HB ALA 24 -0.065 9.167 -2.135 205 H ARG 25 H ARG 25 -3.032 11.096 -0.686 206 HA ARG 25 HA ARG 25 -4.030 10.186 1.797 207 1HB ARG 25 2HB ARG 25 -3.642 12.528 1.157 208 2HB ARG 25 1HB ARG 25 -4.960 12.415 0.000 209 1HG ARG 25 2HG ARG 25 -5.729 13.486 2.078 210 2HG ARG 25 1HG ARG 25 -6.542 11.941 1.830 211 1HD ARG 25 2HD ARG 25 -4.978 10.843 3.388 212 2HD ARG 25 1HD ARG 25 -4.129 12.384 3.626 213 HE ARG 25 HE ARG 25 -6.903 12.833 4.076 214 1HH1 ARG 25 1HH2 ARG 25 -5.813 10.101 5.367 215 2HH1 ARG 25 2HH2 ARG 25 -5.689 10.637 7.010 216 1HH2 ARG 25 1HH1 ARG 25 -6.056 13.994 6.220 217 2HH2 ARG 25 2HH1 ARG 25 -5.829 12.841 7.492 218 H GLN 26 H GLN 26 -5.648 10.537 -1.344 219 HA GLN 26 HA GLN 26 -8.220 9.615 -0.439 220 1HB GLN 26 2HB GLN 26 -6.942 9.757 -3.164 221 2HB GLN 26 1HB GLN 26 -8.670 9.598 -2.869 222 1HG GLN 26 2HG GLN 26 -6.950 11.894 -1.903 223 2HG GLN 26 1HG GLN 26 -7.981 11.953 -3.329 224 1HE2 GLN 26 1HE2 GLN 26 -9.821 10.060 -1.366 225 2HE2 GLN 26 2HE2 GLN 26 -10.680 11.250 -0.521 226 H ASN 27 H ASN 27 -5.620 8.099 -2.346 227 HA ASN 27 HA ASN 27 -6.797 5.522 -2.572 228 1HB ASN 27 2HB ASN 27 -3.934 6.432 -2.485 229 2HB ASN 27 1HB ASN 27 -4.448 4.856 -3.060 230 1HD2 ASN 27 1HD2 ASN 27 -6.915 6.907 -4.035 231 2HD2 ASN 27 2HD2 ASN 27 -6.326 7.320 -5.567 232 H LEU 28 H LEU 28 -5.299 7.100 0.126 233 HA LEU 28 HA LEU 28 -4.244 4.962 1.614 234 1HB LEU 28 2HB LEU 28 -4.085 7.337 2.196 235 2HB LEU 28 1HB LEU 28 -5.813 7.367 2.512 236 HG LEU 28 HG LEU 28 -5.538 5.714 4.310 237 1HD1 LEU 28 1HD2 LEU 28 -3.738 4.355 4.109 238 2HD1 LEU 28 2HD2 LEU 28 -2.813 5.672 4.831 239 3HD1 LEU 28 3HD2 LEU 28 -2.888 5.505 3.077 240 1HD2 LEU 28 1HD1 LEU 28 -5.141 8.282 4.591 241 2HD2 LEU 28 2HD1 LEU 28 -3.450 7.827 4.801 242 3HD2 LEU 28 3HD1 LEU 28 -4.674 7.204 5.906 243 H GLN 29 H GLN 29 -7.616 6.050 1.322 244 HA GLN 29 HA GLN 29 -8.732 4.285 3.270 245 1HB GLN 29 2HB GLN 29 -9.878 5.495 0.765 246 2HB GLN 29 1HB GLN 29 -10.831 4.829 2.083 247 1HG GLN 29 2HG GLN 29 -9.830 6.475 3.630 248 2HG GLN 29 1HG GLN 29 -8.892 7.151 2.300 249 1HE2 GLN 29 1HE2 GLN 29 -11.877 6.270 0.968 250 2HE2 GLN 29 2HE2 GLN 29 -12.674 7.754 1.140 251 H ASN 30 H ASN 30 -8.072 3.920 -0.194 252 HA ASN 30 HA ASN 30 -9.413 1.466 -0.654 253 1HB ASN 30 2HB ASN 30 -6.858 2.560 -1.808 254 2HB ASN 30 1HB ASN 30 -7.856 1.325 -2.560 255 1HD2 ASN 30 1HD2 ASN 30 -9.201 2.185 -4.141 256 2HD2 ASN 30 2HD2 ASN 30 -9.881 3.740 -4.106 257 H LEU 31 H LEU 31 -6.240 2.157 0.736 258 HA LEU 31 HA LEU 31 -5.117 -0.441 0.687 259 1HB LEU 31 2HB LEU 31 -3.940 1.644 1.233 260 2HB LEU 31 1HB LEU 31 -4.884 1.772 2.710 261 HG LEU 31 HG LEU 31 -3.941 -0.359 3.515 262 1HD1 LEU 31 1HD2 LEU 31 -3.198 -1.770 1.909 263 2HD1 LEU 31 2HD2 LEU 31 -1.734 -0.789 1.876 264 3HD1 LEU 31 3HD2 LEU 31 -3.040 -0.465 0.734 265 1HD2 LEU 31 1HD1 LEU 31 -1.862 1.650 2.593 266 2HD2 LEU 31 2HD1 LEU 31 -1.610 0.433 3.843 267 3HD2 LEU 31 3HD1 LEU 31 -2.781 1.727 4.095 268 H PHE 32 H PHE 32 -7.573 0.948 2.770 269 HA PHE 32 HA PHE 32 -7.415 -1.164 4.754 270 1HB PHE 32 2HB PHE 32 -9.292 1.135 4.198 271 2HB PHE 32 1HB PHE 32 -9.541 0.022 5.540 272 HD1 PHE 32 1HD PHE 32 -6.687 2.004 4.047 273 HD2 PHE 32 2HD PHE 32 -8.716 0.673 7.593 274 HE1 PHE 32 1HE PHE 32 -5.080 3.268 5.442 275 HE2 PHE 32 2HE PHE 32 -7.107 1.942 8.987 276 HZ PHE 32 HZ PHE 32 -5.289 3.239 7.910 277 H ILE 33 H ILE 33 -9.378 -0.415 1.916 278 HA ILE 33 HA ILE 33 -11.317 -2.539 2.410 279 HB ILE 33 HB ILE 33 -10.651 -0.875 -0.005 280 1HG1 ILE 33 2HG1 ILE 33 -12.758 -0.540 2.146 281 2HG1 ILE 33 1HG1 ILE 33 -11.319 0.461 1.954 282 1HG2 ILE 33 1HG2 ILE 33 -12.320 -1.913 -1.118 283 2HG2 ILE 33 2HG2 ILE 33 -13.391 -1.834 0.282 284 3HG2 ILE 33 3HG2 ILE 33 -12.231 -3.155 0.131 285 1HD1 ILE 33 1HD1 ILE 33 -13.839 0.819 0.711 286 2HD1 ILE 33 2HD1 ILE 33 -12.720 0.318 -0.556 287 3HD1 ILE 33 3HD1 ILE 33 -12.363 1.740 0.427 288 H ASN 34 H ASN 34 -8.513 -2.094 0.255 289 HA ASN 34 HA ASN 34 -8.742 -4.565 -1.155 290 1HB ASN 34 2HB ASN 34 -7.374 -2.615 -1.824 291 2HB ASN 34 1HB ASN 34 -6.318 -2.887 -0.438 292 1HD2 ASN 34 1HD2 ASN 34 -4.453 -3.996 -1.010 293 2HD2 ASN 34 2HD2 ASN 34 -4.347 -5.167 -2.235 294 H PHE 35 H PHE 35 -6.773 -3.697 1.712 295 HA PHE 35 HA PHE 35 -5.552 -6.226 2.118 296 1HB PHE 35 2HB PHE 35 -4.984 -4.037 3.187 297 2HB PHE 35 1HB PHE 35 -6.460 -4.144 4.136 298 HD1 PHE 35 1HD PHE 35 -4.483 -3.809 5.907 299 HD2 PHE 35 2HD PHE 35 -5.230 -7.444 3.737 300 HE1 PHE 35 1HE PHE 35 -3.264 -5.098 7.637 301 HE2 PHE 35 2HE PHE 35 -4.019 -8.727 5.472 302 HZ PHE 35 HZ PHE 35 -3.033 -7.555 7.420 303 H CYS 36 H CYS 36 -8.559 -4.895 3.547 304 HA CYS 36 HA CYS 36 -9.280 -7.165 5.089 305 1HB CYS 36 2HB CYS 36 -10.305 -4.923 5.232 306 2HB CYS 36 1HB CYS 36 -10.994 -5.130 3.621 307 HG CYS 36 HG CYS 36 -12.435 -5.961 5.981 308 H LEU 37 H LEU 37 -9.491 -6.555 1.654 309 HA LEU 37 HA LEU 37 -11.351 -8.724 1.082 310 1HB LEU 37 2HB LEU 37 -11.097 -6.589 -0.202 311 2HB LEU 37 1HB LEU 37 -9.494 -7.128 -0.700 312 HG LEU 37 HG LEU 37 -11.990 -8.760 -1.221 313 1HD1 LEU 37 1HD1 LEU 37 -12.251 -7.726 -3.300 314 2HD1 LEU 37 2HD1 LEU 37 -10.613 -7.073 -3.291 315 3HD1 LEU 37 3HD1 LEU 37 -11.852 -6.365 -2.254 316 1HD2 LEU 37 1HD2 LEU 37 -10.241 -9.375 -3.178 317 2HD2 LEU 37 2HD2 LEU 37 -10.253 -10.217 -1.630 318 3HD2 LEU 37 3HD2 LEU 37 -9.096 -8.920 -1.917 319 H ILE 38 H ILE 38 -7.879 -8.147 0.432 320 HA ILE 38 HA ILE 38 -7.338 -10.821 -0.512 321 HB ILE 38 HB ILE 38 -6.058 -8.730 -0.993 322 1HG1 ILE 38 2HG1 ILE 38 -3.807 -9.748 -0.783 323 2HG1 ILE 38 1HG1 ILE 38 -4.458 -10.934 0.348 324 1HG2 ILE 38 1HG2 ILE 38 -6.209 -7.885 1.381 325 2HG2 ILE 38 2HG2 ILE 38 -4.603 -7.766 0.664 326 3HG2 ILE 38 3HG2 ILE 38 -4.965 -9.058 1.809 327 1HD1 ILE 38 1HD1 ILE 38 -4.265 -11.730 -2.060 328 2HD1 ILE 38 2HD1 ILE 38 -5.538 -10.575 -2.456 329 3HD1 ILE 38 3HD1 ILE 38 -5.866 -11.899 -1.337 330 H LEU 39 H LEU 39 -7.762 -9.534 2.650 331 HA LEU 39 HA LEU 39 -5.993 -11.245 4.111 332 1HB LEU 39 2HB LEU 39 -6.814 -9.135 4.960 333 2HB LEU 39 1HB LEU 39 -8.487 -9.669 4.793 334 HG LEU 39 HG LEU 39 -8.079 -11.446 6.424 335 1HD1 LEU 39 1HD1 LEU 39 -5.338 -10.724 5.918 336 2HD1 LEU 39 2HD1 LEU 39 -5.962 -12.107 6.817 337 3HD1 LEU 39 3HD1 LEU 39 -5.674 -10.576 7.642 338 1HD2 LEU 39 1HD2 LEU 39 -8.962 -9.474 7.399 339 2HD2 LEU 39 2HD2 LEU 39 -7.440 -8.604 7.209 340 3HD2 LEU 39 3HD2 LEU 39 -7.582 -9.879 8.420 341 H ILE 40 H ILE 40 -9.245 -11.724 2.824 342 HA ILE 40 HA ILE 40 -9.268 -14.392 4.146 343 HB ILE 40 HB ILE 40 -11.726 -14.082 4.363 344 1HG1 ILE 40 2HG1 ILE 40 -11.097 -11.307 3.304 345 2HG1 ILE 40 1HG1 ILE 40 -12.023 -12.548 2.455 346 1HG2 ILE 40 1HG2 ILE 40 -10.007 -11.873 5.530 347 2HG2 ILE 40 2HG2 ILE 40 -10.289 -13.462 6.239 348 3HG2 ILE 40 3HG2 ILE 40 -11.615 -12.308 6.110 349 1HD1 ILE 40 1HD1 ILE 40 -13.899 -11.992 3.566 350 2HD1 ILE 40 2HD1 ILE 40 -13.024 -10.622 4.252 351 3HD1 ILE 40 3HD1 ILE 40 -13.080 -12.157 5.120 352 H PHE 41 H PHE 41 -10.351 -12.485 1.337 353 HA PHE 41 HA PHE 41 -11.477 -14.690 -0.103 354 1HB PHE 41 2HB PHE 41 -10.315 -12.018 -0.911 355 2HB PHE 41 1HB PHE 41 -11.131 -13.093 -2.048 356 HD1 PHE 41 1HD PHE 41 -13.409 -14.147 -0.878 357 HD2 PHE 41 2HD PHE 41 -11.670 -10.297 -0.110 358 HE1 PHE 41 1HE PHE 41 -15.614 -13.301 -0.123 359 HE2 PHE 41 2HE PHE 41 -13.875 -9.450 0.645 360 HZ PHE 41 HZ PHE 41 -15.847 -10.954 0.640 361 H LEU 42 H LEU 42 -8.197 -13.866 0.588 362 HA LEU 42 HA LEU 42 -6.862 -14.771 -1.729 363 1HB LEU 42 2HB LEU 42 -4.939 -15.020 -0.306 364 2HB LEU 42 1HB LEU 42 -5.872 -13.678 0.342 365 HG LEU 42 HG LEU 42 -6.148 -16.506 1.399 366 1HD1 LEU 42 1HD1 LEU 42 -4.036 -16.230 2.185 367 2HD1 LEU 42 2HD1 LEU 42 -4.761 -15.075 3.303 368 3HD1 LEU 42 3HD1 LEU 42 -4.027 -14.508 1.803 369 1HD2 LEU 42 1HD2 LEU 42 -7.948 -15.353 2.278 370 2HD2 LEU 42 2HD2 LEU 42 -7.139 -13.793 2.166 371 3HD2 LEU 42 3HD2 LEU 42 -6.725 -14.909 3.463 372 H LEU 43 H LEU 43 -8.343 -16.622 0.905 373 HA LEU 43 HA LEU 43 -7.289 -19.181 -0.006 374 1HB LEU 43 2HB LEU 43 -7.860 -18.690 2.344 375 2HB LEU 43 1HB LEU 43 -9.539 -18.413 1.883 376 HG LEU 43 HG LEU 43 -9.708 -20.746 1.087 377 1HD1 LEU 43 1HD1 LEU 43 -7.825 -21.878 0.601 378 2HD1 LEU 43 2HD1 LEU 43 -7.414 -21.893 2.316 379 3HD1 LEU 43 3HD1 LEU 43 -6.845 -20.582 1.285 380 1HD2 LEU 43 1HD2 LEU 43 -8.526 -20.884 3.852 381 2HD2 LEU 43 2HD2 LEU 43 -9.953 -21.702 3.213 382 3HD2 LEU 43 3HD2 LEU 43 -10.013 -19.977 3.572 383 H LEU 44 H LEU 44 -10.141 -17.237 -0.625 384 HA LEU 44 HA LEU 44 -11.720 -19.371 -1.788 385 1HB LEU 44 2HB LEU 44 -11.845 -16.348 -1.791 386 2HB LEU 44 1HB LEU 44 -13.037 -17.334 -2.632 387 HG LEU 44 HG LEU 44 -13.884 -16.779 -0.416 388 1HD1 LEU 44 1HD1 LEU 44 -14.498 -18.954 0.274 389 2HD1 LEU 44 2HD1 LEU 44 -12.962 -19.645 -0.250 390 3HD1 LEU 44 3HD1 LEU 44 -14.150 -19.127 -1.446 391 1HD2 LEU 44 1HD2 LEU 44 -11.559 -18.261 0.807 392 2HD2 LEU 44 2HD2 LEU 44 -12.736 -17.217 1.603 393 3HD2 LEU 44 3HD2 LEU 44 -11.508 -16.517 0.547 394 H ILE 45 H ILE 45 -9.727 -16.720 -3.107 395 HA ILE 45 HA ILE 45 -10.181 -17.335 -5.868 396 HB ILE 45 HB ILE 45 -8.221 -15.872 -6.188 397 1HG1 ILE 45 2HG1 ILE 45 -7.884 -16.175 -3.184 398 2HG1 ILE 45 1HG1 ILE 45 -6.805 -16.843 -4.408 399 1HG2 ILE 45 1HG2 ILE 45 -9.322 -14.452 -3.899 400 2HG2 ILE 45 2HG2 ILE 45 -10.592 -15.226 -4.848 401 3HG2 ILE 45 3HG2 ILE 45 -9.482 -14.092 -5.619 402 1HD1 ILE 45 1HD1 ILE 45 -7.188 -13.996 -3.571 403 2HD1 ILE 45 2HD1 ILE 45 -6.736 -14.325 -5.242 404 3HD1 ILE 45 3HD1 ILE 45 -5.697 -14.866 -3.925 405 H CYS 46 H CYS 46 -8.121 -18.760 -3.441 406 HA CYS 46 HA CYS 46 -6.300 -20.041 -5.301 407 1HB CYS 46 2HB CYS 46 -6.880 -20.204 -2.374 408 2HB CYS 46 1HB CYS 46 -5.671 -21.236 -3.119 409 HG CYS 46 HG CYS 46 -4.155 -19.291 -2.870 410 H ILE 47 H ILE 47 -8.880 -21.300 -3.144 411 HA ILE 47 HA ILE 47 -8.755 -23.997 -3.951 412 HB ILE 47 HB ILE 47 -11.112 -24.060 -3.146 413 1HG1 ILE 47 2HG1 ILE 47 -10.801 -21.043 -3.037 414 2HG1 ILE 47 1HG1 ILE 47 -11.818 -21.915 -4.186 415 1HG2 ILE 47 1HG2 ILE 47 -9.538 -24.161 -1.395 416 2HG2 ILE 47 2HG2 ILE 47 -10.600 -22.837 -0.914 417 3HG2 ILE 47 3HG2 ILE 47 -9.028 -22.490 -1.633 418 1HD1 ILE 47 1HD1 ILE 47 -13.164 -21.114 -2.290 419 2HD1 ILE 47 2HD1 ILE 47 -12.104 -21.965 -1.166 420 3HD1 ILE 47 3HD1 ILE 47 -13.102 -22.877 -2.297 421 H ILE 48 H ILE 48 -10.018 -21.255 -5.705 422 HA ILE 48 HA ILE 48 -11.476 -22.973 -7.598 423 HB ILE 48 HB ILE 48 -12.193 -20.822 -8.551 424 1HG1 ILE 48 2HG1 ILE 48 -10.298 -19.597 -6.519 425 2HG1 ILE 48 1HG1 ILE 48 -10.034 -19.631 -8.259 426 1HG2 ILE 48 1HG2 ILE 48 -13.128 -21.807 -6.341 427 2HG2 ILE 48 2HG2 ILE 48 -13.515 -20.130 -6.727 428 3HG2 ILE 48 3HG2 ILE 48 -12.250 -20.495 -5.556 429 1HD1 ILE 48 1HD1 ILE 48 -10.979 -17.486 -7.764 430 2HD1 ILE 48 2HD1 ILE 48 -12.231 -18.201 -6.750 431 3HD1 ILE 48 3HD1 ILE 48 -12.269 -18.437 -8.497 432 H VAL 49 H VAL 49 -8.497 -21.081 -7.431 433 HA VAL 49 HA VAL 49 -7.924 -21.572 -10.299 434 HB VAL 49 HB VAL 49 -6.441 -20.142 -8.068 435 1HG1 VAL 49 1HG2 VAL 49 -5.887 -20.283 -11.049 436 2HG1 VAL 49 2HG2 VAL 49 -4.880 -20.966 -9.772 437 3HG1 VAL 49 3HG2 VAL 49 -5.057 -19.216 -9.915 438 1HG2 VAL 49 1HG1 VAL 49 -7.325 -18.505 -10.270 439 2HG2 VAL 49 2HG1 VAL 49 -7.748 -18.374 -8.565 440 3HG2 VAL 49 3HG1 VAL 49 -8.691 -19.414 -9.629 441 H MET 50 H MET 50 -6.709 -22.532 -7.088 442 HA MET 50 HA MET 50 -4.461 -24.043 -7.972 443 1HB MET 50 2HB MET 50 -6.260 -24.337 -5.579 444 2HB MET 50 1HB MET 50 -4.661 -25.051 -5.719 445 1HG MET 50 2HG MET 50 -5.278 -22.082 -5.825 446 2HG MET 50 1HG MET 50 -4.578 -22.932 -4.448 447 1HE MET 50 1HE MET 50 -1.698 -20.746 -5.930 448 2HE MET 50 2HE MET 50 -2.445 -21.276 -4.426 449 3HE MET 50 3HE MET 50 -3.417 -20.445 -5.639 450 H LEU 51 H LEU 51 -7.880 -24.745 -7.938 451 HA LEU 51 HA LEU 51 -7.405 -27.640 -8.444 452 1HB LEU 51 2HB LEU 51 -9.902 -25.959 -8.047 453 2HB LEU 51 1HB LEU 51 -9.883 -27.717 -8.188 454 HG LEU 51 HG LEU 51 -8.443 -26.113 -6.055 455 1HD1 LEU 51 1HD1 LEU 51 -11.117 -26.595 -6.171 456 2HD1 LEU 51 2HD1 LEU 51 -10.213 -26.503 -4.658 457 3HD1 LEU 51 3HD1 LEU 51 -10.565 -28.074 -5.382 458 1HD2 LEU 51 1HD2 LEU 51 -8.680 -28.833 -5.356 459 2HD2 LEU 51 2HD2 LEU 51 -7.203 -27.983 -5.809 460 3HD2 LEU 51 3HD2 LEU 51 -8.149 -28.824 -7.036 461 H LEU 52 H LEU 52 -7.730 -24.769 -10.237 462 HA LEU 52 HA LEU 52 -8.624 -26.326 -12.639 463 1HB LEU 52 2HB LEU 52 -9.190 -23.448 -11.847 464 2HB LEU 52 1HB LEU 52 -9.731 -24.214 -13.341 465 HG LEU 52 HG LEU 52 -10.464 -25.116 -10.539 466 1HD1 LEU 52 1HD1 LEU 52 -11.470 -22.936 -11.567 467 2HD1 LEU 52 2HD1 LEU 52 -12.569 -24.131 -10.877 468 3HD1 LEU 52 3HD1 LEU 52 -12.352 -24.039 -12.625 469 1HD2 LEU 52 1HD2 LEU 52 -10.981 -27.072 -11.528 470 2HD2 LEU 52 2HD2 LEU 52 -10.531 -26.436 -13.111 471 3HD2 LEU 52 3HD2 LEU 52 -12.172 -26.211 -12.503 Start of MODEL 10 1 1H MET 1 1HT MET 1 17.734 20.330 20.308 2 2H MET 1 2HT MET 1 17.911 21.990 19.993 3 H MET 1 H MET 1 17.665 21.540 20.398 4 3H MET 1 3HT MET 1 18.973 20.869 19.283 5 HA MET 1 HA MET 1 17.513 21.351 17.542 6 1HB MET 1 2HB MET 1 17.869 18.941 18.131 7 2HB MET 1 1HB MET 1 16.373 19.024 19.036 8 1HG MET 1 2HG MET 1 15.126 19.628 17.033 9 2HG MET 1 1HG MET 1 16.620 19.591 16.108 10 1HE MET 1 1HE MET 1 14.423 16.165 18.128 11 2HE MET 1 2HE MET 1 14.441 17.880 18.525 12 3HE MET 1 3HE MET 1 15.781 16.854 19.027 13 H ASP 2 H ASP 2 15.835 22.663 17.107 14 HA ASP 2 HA ASP 2 13.231 22.401 18.367 15 1HB ASP 2 2HB ASP 2 13.311 24.594 19.529 16 2HB ASP 2 1HB ASP 2 14.527 23.487 20.167 17 H LYS 3 H LYS 3 15.455 24.546 16.589 18 HA LYS 3 HA LYS 3 13.269 25.830 15.123 19 1HB LYS 3 2HB LYS 3 15.159 27.110 15.871 20 2HB LYS 3 1HB LYS 3 16.271 25.966 15.134 21 1HG LYS 3 2HG LYS 3 15.467 26.552 12.925 22 2HG LYS 3 1HG LYS 3 14.288 27.666 13.615 23 1HD LYS 3 2HD LYS 3 16.123 28.992 14.611 24 2HD LYS 3 1HD LYS 3 17.302 27.889 13.907 25 1HE LYS 3 2HE LYS 3 15.293 29.445 12.243 26 2HE LYS 3 1HE LYS 3 16.945 30.004 12.561 27 1HZ LYS 3 1HZ LYS 3 16.765 27.238 11.722 28 2HZ LYS 3 2HZ LYS 3 17.819 28.464 11.211 29 3HZ LYS 3 3HZ LYS 3 16.262 28.349 10.544 30 H VAL 4 H VAL 4 15.805 23.412 14.530 31 HA VAL 4 HA VAL 4 15.439 23.224 11.684 32 HB VAL 4 HB VAL 4 16.619 21.074 11.998 33 1HG1 VAL 4 1HG2 VAL 4 17.845 23.260 12.192 34 2HG1 VAL 4 2HG2 VAL 4 18.605 21.944 13.087 35 3HG1 VAL 4 3HG2 VAL 4 17.652 23.158 13.941 36 1HG2 VAL 4 1HG1 VAL 4 16.177 21.556 14.959 37 2HG2 VAL 4 2HG1 VAL 4 17.046 20.205 14.237 38 3HG2 VAL 4 3HG1 VAL 4 15.306 20.361 14.000 39 H GLN 5 H GLN 5 13.626 22.019 14.416 40 HA GLN 5 HA GLN 5 12.192 19.933 13.029 41 1HB GLN 5 2HB GLN 5 11.572 21.558 15.515 42 2HB GLN 5 1HB GLN 5 10.776 20.048 15.066 43 1HG GLN 5 2HG GLN 5 12.946 18.876 15.150 44 2HG GLN 5 1HG GLN 5 13.741 20.383 15.607 45 1HE2 GLN 5 1HE2 GLN 5 12.543 17.584 16.946 46 2HE2 GLN 5 2HE2 GLN 5 12.167 18.154 18.500 47 H TYR 6 H TYR 6 11.200 23.231 14.070 48 HA TYR 6 HA TYR 6 8.658 23.234 12.814 49 1HB TYR 6 2HB TYR 6 10.627 25.485 13.340 50 2HB TYR 6 1HB TYR 6 8.913 25.709 12.996 51 HD1 TYR 6 1HD TYR 6 7.427 23.881 14.488 52 HD2 TYR 6 2HD TYR 6 11.145 25.723 15.594 53 HE1 TYR 6 1HE TYR 6 6.889 23.528 16.883 54 HE2 TYR 6 2HE TYR 6 10.608 25.367 17.989 55 HH TYR 6 HH TYR 6 7.567 24.636 19.101 56 H LEU 7 H LEU 7 11.805 24.423 11.580 57 HA LEU 7 HA LEU 7 10.918 25.333 9.050 58 1HB LEU 7 2HB LEU 7 13.517 24.026 9.915 59 2HB LEU 7 1HB LEU 7 13.309 24.949 8.425 60 HG LEU 7 HG LEU 7 12.843 26.021 11.224 61 1HD1 LEU 7 1HD2 LEU 7 14.926 27.015 11.126 62 2HD1 LEU 7 2HD2 LEU 7 14.955 27.037 9.364 63 3HD1 LEU 7 3HD2 LEU 7 15.264 25.533 10.234 64 1HD2 LEU 7 1HD1 LEU 7 12.070 26.933 8.573 65 2HD2 LEU 7 2HD1 LEU 7 13.119 28.104 9.370 66 3HD2 LEU 7 3HD1 LEU 7 11.624 27.585 10.148 67 H THR 8 H THR 8 11.948 22.066 10.058 68 HA THR 8 HA THR 8 11.771 20.835 7.482 69 HB THR 8 HB THR 8 11.360 19.733 10.274 70 HG1 THR 8 1HG THR 8 13.550 19.364 10.203 71 1HG2 THR 8 1HG2 THR 8 11.233 18.509 7.659 72 2HG2 THR 8 2HG2 THR 8 10.934 17.783 9.240 73 3HG2 THR 8 3HG2 THR 8 12.571 17.835 8.587 74 H ARG 9 H ARG 9 9.453 20.765 10.218 75 HA ARG 9 HA ARG 9 7.332 19.431 8.963 76 1HB ARG 9 2HB ARG 9 7.456 20.026 11.336 77 2HB ARG 9 1HB ARG 9 7.283 21.723 10.911 78 1HG ARG 9 2HG ARG 9 5.068 21.291 9.951 79 2HG ARG 9 1HG ARG 9 5.238 19.574 10.320 80 1HD ARG 9 2HD ARG 9 5.217 21.820 12.373 81 2HD ARG 9 1HD ARG 9 3.893 20.678 12.071 82 HE ARG 9 HE ARG 9 6.214 20.091 13.641 83 1HH1 ARG 9 1HH2 ARG 9 3.465 18.616 12.932 84 2HH1 ARG 9 2HH2 ARG 9 4.103 17.049 12.561 85 1HH2 ARG 9 1HH1 ARG 9 7.391 18.141 12.387 86 2HH2 ARG 9 2HH1 ARG 9 6.327 16.781 12.248 87 H SER 10 H SER 10 8.291 22.824 8.710 88 HA SER 10 HA SER 10 5.964 23.620 7.181 89 1HB SER 10 2HB SER 10 7.273 25.155 8.576 90 2HB SER 10 1HB SER 10 8.680 24.848 7.573 91 HG SER 10 HG SER 10 7.277 26.778 7.120 92 H ALA 11 H ALA 11 8.902 21.978 6.455 93 HA ALA 11 HA ALA 11 8.820 22.724 3.601 94 1HB ALA 11 1HB ALA 11 10.941 22.679 4.909 95 2HB ALA 11 2HB ALA 11 10.976 21.547 3.557 96 3HB ALA 11 3HB ALA 11 10.698 20.956 5.196 97 H ILE 12 H ILE 12 8.510 19.868 5.706 98 HA ILE 12 HA ILE 12 8.146 17.928 3.645 99 HB ILE 12 HB ILE 12 8.678 17.456 6.017 100 1HG1 ILE 12 2HG1 ILE 12 7.110 15.573 6.321 101 2HG1 ILE 12 1HG1 ILE 12 6.032 16.274 5.114 102 1HG2 ILE 12 1HG2 ILE 12 5.791 18.056 6.651 103 2HG2 ILE 12 2HG2 ILE 12 7.036 19.292 6.810 104 3HG2 ILE 12 3HG2 ILE 12 7.131 17.817 7.770 105 1HD1 ILE 12 1HD1 ILE 12 8.189 14.520 4.647 106 2HD1 ILE 12 2HD1 ILE 12 8.721 16.096 4.063 107 3HD1 ILE 12 3HD1 ILE 12 7.236 15.377 3.437 108 H ARG 13 H ARG 13 5.831 20.019 5.372 109 HA ARG 13 HA ARG 13 3.444 18.847 4.316 110 1HB ARG 13 2HB ARG 13 4.135 21.634 5.283 111 2HB ARG 13 1HB ARG 13 2.489 21.071 4.999 112 1HG ARG 13 2HG ARG 13 4.450 19.779 6.919 113 2HG ARG 13 1HG ARG 13 3.148 20.862 7.387 114 1HD ARG 13 2HD ARG 13 1.499 19.297 6.389 115 2HD ARG 13 1HD ARG 13 2.831 18.196 6.020 116 HE ARG 13 HE ARG 13 2.777 17.553 8.280 117 1HH1 ARG 13 1HH1 ARG 13 0.788 20.263 7.921 118 2HH1 ARG 13 2HH1 ARG 13 0.877 20.752 9.580 119 1HH2 ARG 13 1HH2 ARG 13 3.284 18.406 10.423 120 2HH2 ARG 13 2HH2 ARG 13 2.287 19.700 10.996 121 H ARG 14 H ARG 14 5.801 21.020 2.942 122 HA ARG 14 HA ARG 14 4.088 22.067 0.845 123 1HB ARG 14 2HB ARG 14 7.094 21.947 1.224 124 2HB ARG 14 1HB ARG 14 6.278 22.924 0.004 125 1HG ARG 14 2HG ARG 14 5.839 23.158 2.994 126 2HG ARG 14 1HG ARG 14 6.833 24.251 2.030 127 1HD ARG 14 2HD ARG 14 4.844 24.855 0.672 128 2HD ARG 14 1HD ARG 14 3.847 23.784 1.673 129 HE ARG 14 HE ARG 14 4.689 26.414 2.443 130 1HH1 ARG 14 1HH2 ARG 14 2.997 23.813 3.552 131 2HH1 ARG 14 2HH2 ARG 14 3.412 23.996 5.224 132 1HH2 ARG 14 1HH1 ARG 14 5.847 26.392 4.636 133 2HH2 ARG 14 2HH1 ARG 14 5.025 25.455 5.839 134 H ALA 15 H ALA 15 5.869 19.133 1.291 135 HA ALA 15 HA ALA 15 5.695 18.540 -1.618 136 1HB ALA 15 1HB ALA 15 7.310 17.043 0.439 137 2HB ALA 15 2HB ALA 15 7.900 18.551 -0.258 138 3HB ALA 15 3HB ALA 15 7.590 17.162 -1.298 139 H SER 16 H SER 16 4.005 17.976 1.187 140 HA SER 16 HA SER 16 3.134 15.286 0.262 141 1HB SER 16 2HB SER 16 2.794 14.778 2.640 142 2HB SER 16 1HB SER 16 4.433 15.358 2.372 143 HG SER 16 HG SER 16 3.740 17.419 3.042 144 H THR 17 H THR 17 2.210 18.475 0.695 145 HA THR 17 HA THR 17 -0.664 17.714 0.803 146 HB THR 17 HB THR 17 0.755 20.148 1.926 147 HG1 THR 17 1HG THR 17 -0.619 18.107 3.313 148 1HG2 THR 17 1HG2 THR 17 -1.718 20.105 3.065 149 2HG2 THR 17 2HG2 THR 17 -2.088 19.477 1.458 150 3HG2 THR 17 3HG2 THR 17 -1.316 21.053 1.632 151 H ILE 18 H ILE 18 1.834 19.351 -0.906 152 HA ILE 18 HA ILE 18 -0.136 20.823 -2.545 153 HB ILE 18 HB ILE 18 2.834 21.095 -2.168 154 1HG1 ILE 18 2HG1 ILE 18 2.146 23.388 -1.326 155 2HG1 ILE 18 1HG1 ILE 18 0.479 22.824 -1.375 156 1HG2 ILE 18 1HG2 ILE 18 2.620 23.115 -3.619 157 2HG2 ILE 18 2HG2 ILE 18 0.952 22.649 -3.960 158 3HG2 ILE 18 3HG2 ILE 18 2.282 21.614 -4.483 159 1HD1 ILE 18 1HD1 ILE 18 2.387 21.051 0.042 160 2HD1 ILE 18 2HD1 ILE 18 0.735 21.499 0.469 161 3HD1 ILE 18 3HD1 ILE 18 2.066 22.603 0.815 162 H GLU 19 H GLU 19 1.804 18.010 -2.510 163 HA GLU 19 HA GLU 19 1.748 17.872 -5.480 164 1HB GLU 19 2HB GLU 19 3.983 17.983 -4.477 165 2HB GLU 19 1HB GLU 19 3.586 16.592 -3.479 166 1HG GLU 19 2HG GLU 19 3.265 15.214 -5.499 167 2HG GLU 19 1HG GLU 19 3.666 16.606 -6.505 168 H MET 20 H MET 20 1.091 16.181 -2.459 169 HA MET 20 HA MET 20 -0.528 14.195 -3.988 170 1HB MET 20 2HB MET 20 1.515 13.622 -1.854 171 2HB MET 20 1HB MET 20 0.485 12.413 -2.610 172 1HG MET 20 2HG MET 20 1.467 12.962 -4.810 173 2HG MET 20 1HG MET 20 2.508 14.161 -4.041 174 1HE MET 20 1HE MET 20 2.555 9.631 -3.284 175 2HE MET 20 2HE MET 20 1.360 10.549 -4.196 176 3HE MET 20 3HE MET 20 1.433 10.707 -2.442 177 HA PRO 21 HA PRO 21 -2.547 15.679 -0.092 178 1HB PRO 21 2HB PRO 21 -4.462 17.308 -1.169 179 2HB PRO 21 1HB PRO 21 -2.838 17.873 -0.752 180 1HG PRO 21 2HG PRO 21 -4.020 17.406 -3.372 181 2HG PRO 21 1HG PRO 21 -2.631 18.395 -2.925 182 1HD PRO 21 2HD PRO 21 -2.623 15.784 -4.092 183 2HD PRO 21 1HD PRO 21 -1.228 16.772 -3.609 184 H GLN 22 H GLN 22 -4.969 15.879 -2.673 185 HA GLN 22 HA GLN 22 -6.872 14.216 -1.420 186 1HB GLN 22 2HB GLN 22 -7.894 14.190 -3.685 187 2HB GLN 22 1HB GLN 22 -7.310 15.798 -3.255 188 1HG GLN 22 2HG GLN 22 -5.220 15.362 -4.518 189 2HG GLN 22 1HG GLN 22 -5.842 13.776 -4.978 190 1HE2 GLN 22 1HE2 GLN 22 -5.542 16.889 -6.136 191 2HE2 GLN 22 2HE2 GLN 22 -6.846 16.908 -7.221 192 H GLN 23 H GLN 23 -4.074 13.317 -3.340 193 HA GLN 23 HA GLN 23 -5.021 10.605 -3.831 194 1HB GLN 23 2HB GLN 23 -3.553 11.821 -5.378 195 2HB GLN 23 1HB GLN 23 -2.332 11.922 -4.118 196 1HG GLN 23 2HG GLN 23 -2.172 9.468 -4.042 197 2HG GLN 23 1HG GLN 23 -3.409 9.351 -5.294 198 1HE2 GLN 23 1HE2 GLN 23 -0.099 9.267 -4.896 199 2HE2 GLN 23 2HE2 GLN 23 0.378 9.782 -6.442 200 H ALA 24 H ALA 24 -2.176 11.854 -2.038 201 HA ALA 24 HA ALA 24 -1.496 9.508 -0.665 202 1HB ALA 24 1HB ALA 24 -0.326 11.760 -0.743 203 2HB ALA 24 2HB ALA 24 -0.346 10.998 0.847 204 3HB ALA 24 3HB ALA 24 -1.465 12.313 0.484 205 H ARG 25 H ARG 25 -3.970 11.931 0.211 206 HA ARG 25 HA ARG 25 -4.662 10.820 2.751 207 1HB ARG 25 2HB ARG 25 -5.241 13.073 1.976 208 2HB ARG 25 1HB ARG 25 -6.261 12.370 0.732 209 1HG ARG 25 2HG ARG 25 -7.678 11.326 2.454 210 2HG ARG 25 1HG ARG 25 -6.657 12.023 3.711 211 1HD ARG 25 2HD ARG 25 -8.216 13.626 1.649 212 2HD ARG 25 1HD ARG 25 -8.674 13.420 3.352 213 HE ARG 25 HE ARG 25 -5.973 14.296 3.289 214 1HH1 ARG 25 1HH2 ARG 25 -8.366 15.636 1.401 215 2HH1 ARG 25 2HH2 ARG 25 -8.363 17.190 2.166 216 1HH2 ARG 25 1HH1 ARG 25 -6.296 16.200 4.768 217 2HH2 ARG 25 2HH1 ARG 25 -7.191 17.509 4.073 218 H GLN 26 H GLN 26 -6.322 10.517 -0.397 219 HA GLN 26 HA GLN 26 -8.173 8.509 0.425 220 1HB GLN 26 2HB GLN 26 -7.006 9.218 -2.257 221 2HB GLN 26 1HB GLN 26 -8.473 8.271 -2.026 222 1HG GLN 26 2HG GLN 26 -8.071 11.090 -0.997 223 2HG GLN 26 1HG GLN 26 -8.923 10.695 -2.489 224 1HE2 GLN 26 1HE2 GLN 26 -11.147 10.526 -2.223 225 2HE2 GLN 26 2HE2 GLN 26 -11.932 10.089 -0.783 226 H ASN 27 H ASN 27 -5.153 8.249 -1.436 227 HA ASN 27 HA ASN 27 -5.081 5.457 -1.753 228 1HB ASN 27 2HB ASN 27 -2.915 7.501 -1.372 229 2HB ASN 27 1HB ASN 27 -2.604 5.864 -1.933 230 1HD2 ASN 27 1HD2 ASN 27 -2.474 5.775 -4.178 231 2HD2 ASN 27 2HD2 ASN 27 -3.365 6.745 -5.248 232 H LEU 28 H LEU 28 -4.098 7.389 1.062 233 HA LEU 28 HA LEU 28 -2.696 5.418 2.515 234 1HB LEU 28 2HB LEU 28 -2.969 7.862 3.016 235 2HB LEU 28 1HB LEU 28 -4.596 7.501 3.569 236 HG LEU 28 HG LEU 28 -2.131 6.180 4.727 237 1HD1 LEU 28 1HD1 LEU 28 -2.278 8.727 5.019 238 2HD1 LEU 28 2HD1 LEU 28 -2.167 7.776 6.499 239 3HD1 LEU 28 3HD1 LEU 28 -3.723 8.424 5.983 240 1HD2 LEU 28 1HD2 LEU 28 -4.105 6.197 6.638 241 2HD2 LEU 28 2HD2 LEU 28 -3.773 4.840 5.560 242 3HD2 LEU 28 3HD2 LEU 28 -5.045 5.995 5.160 243 H GLN 29 H GLN 29 -6.174 5.901 2.112 244 HA GLN 29 HA GLN 29 -6.869 3.844 4.063 245 1HB GLN 29 2HB GLN 29 -8.455 5.366 2.013 246 2HB GLN 29 1HB GLN 29 -9.155 4.393 3.299 247 1HG GLN 29 2HG GLN 29 -8.046 5.828 4.979 248 2HG GLN 29 1HG GLN 29 -7.363 6.811 3.683 249 1HE2 GLN 29 1HE2 GLN 29 -9.889 6.773 5.851 250 2HE2 GLN 29 2HE2 GLN 29 -11.013 7.709 4.988 251 H ASN 30 H ASN 30 -6.720 4.159 0.538 252 HA ASN 30 HA ASN 30 -7.964 1.774 -0.263 253 1HB ASN 30 2HB ASN 30 -7.164 3.560 -1.742 254 2HB ASN 30 1HB ASN 30 -5.506 3.138 -1.338 255 1HD2 ASN 30 1HD2 ASN 30 -4.552 1.869 -2.928 256 2HD2 ASN 30 2HD2 ASN 30 -5.366 0.726 -3.881 257 H LEU 31 H LEU 31 -4.733 2.279 1.068 258 HA LEU 31 HA LEU 31 -3.562 -0.228 0.492 259 1HB LEU 31 2HB LEU 31 -2.408 1.743 1.386 260 2HB LEU 31 1HB LEU 31 -3.312 1.583 2.882 261 HG LEU 31 HG LEU 31 -2.298 -0.679 3.212 262 1HD1 LEU 31 1HD2 LEU 31 -1.675 -0.494 0.535 263 2HD1 LEU 31 2HD2 LEU 31 -0.958 -1.650 1.656 264 3HD1 LEU 31 3HD2 LEU 31 -0.127 -0.136 1.298 265 1HD2 LEU 31 1HD1 LEU 31 0.191 0.476 3.237 266 2HD2 LEU 31 2HD1 LEU 31 -1.025 0.709 4.493 267 3HD2 LEU 31 3HD1 LEU 31 -0.855 1.895 3.199 268 H PHE 32 H PHE 32 -5.855 0.722 2.994 269 HA PHE 32 HA PHE 32 -5.641 -1.748 4.484 270 1HB PHE 32 2HB PHE 32 -7.594 0.565 4.462 271 2HB PHE 32 1HB PHE 32 -7.658 -0.742 5.638 272 HD1 PHE 32 1HD PHE 32 -7.463 1.633 6.968 273 HD2 PHE 32 2HD PHE 32 -4.247 -0.363 4.923 274 HE1 PHE 32 1HE PHE 32 -5.816 2.822 8.387 275 HE2 PHE 32 2HE PHE 32 -2.607 0.829 6.345 276 HZ PHE 32 HZ PHE 32 -3.390 2.421 8.076 277 H ILE 33 H ILE 33 -7.945 -0.421 2.106 278 HA ILE 33 HA ILE 33 -9.662 -2.784 2.258 279 HB ILE 33 HB ILE 33 -9.540 -0.364 0.475 280 1HG1 ILE 33 2HG1 ILE 33 -11.690 0.179 1.668 281 2HG1 ILE 33 1HG1 ILE 33 -11.399 -1.209 2.713 282 1HG2 ILE 33 1HG2 ILE 33 -11.488 -2.673 0.480 283 2HG2 ILE 33 2HG2 ILE 33 -10.525 -2.084 -0.874 284 3HG2 ILE 33 3HG2 ILE 33 -11.857 -1.111 -0.249 285 1HD1 ILE 33 1HD1 ILE 33 -10.635 1.129 3.543 286 2HD1 ILE 33 2HD1 ILE 33 -9.312 0.941 2.393 287 3HD1 ILE 33 3HD1 ILE 33 -9.509 -0.218 3.708 288 H ASN 34 H ASN 34 -7.364 -1.440 -0.128 289 HA ASN 34 HA ASN 34 -7.613 -3.374 -2.158 290 1HB ASN 34 2HB ASN 34 -6.276 -1.292 -2.254 291 2HB ASN 34 1HB ASN 34 -5.131 -1.977 -1.099 292 1HD2 ASN 34 1HD2 ASN 34 -5.533 -1.484 -4.366 293 2HD2 ASN 34 2HD2 ASN 34 -4.586 -2.761 -4.961 294 H PHE 35 H PHE 35 -5.776 -3.534 0.879 295 HA PHE 35 HA PHE 35 -4.684 -6.168 0.224 296 1HB PHE 35 2HB PHE 35 -4.612 -4.338 2.631 297 2HB PHE 35 1HB PHE 35 -3.842 -5.924 2.628 298 HD1 PHE 35 1HD PHE 35 -4.048 -2.917 0.350 299 HD2 PHE 35 2HD PHE 35 -1.596 -5.987 2.091 300 HE1 PHE 35 1HE PHE 35 -2.071 -1.999 -0.820 301 HE2 PHE 35 2HE PHE 35 0.385 -5.062 0.924 302 HZ PHE 35 HZ PHE 35 0.147 -3.069 -0.533 303 H CYS 36 H CYS 36 -7.480 -4.850 1.796 304 HA CYS 36 HA CYS 36 -8.107 -7.215 3.370 305 1HB CYS 36 2HB CYS 36 -8.790 -4.917 3.977 306 2HB CYS 36 1HB CYS 36 -9.745 -4.814 2.497 307 HG CYS 36 HG CYS 36 -10.425 -7.033 4.584 308 H LEU 37 H LEU 37 -9.077 -5.856 0.237 309 HA LEU 37 HA LEU 37 -11.128 -7.808 -0.322 310 1HB LEU 37 2HB LEU 37 -10.990 -5.556 -1.314 311 2HB LEU 37 1HB LEU 37 -9.498 -6.022 -2.134 312 HG LEU 37 HG LEU 37 -10.686 -7.797 -3.341 313 1HD1 LEU 37 1HD2 LEU 37 -13.235 -7.775 -3.163 314 2HD1 LEU 37 2HD2 LEU 37 -13.034 -6.810 -1.702 315 3HD1 LEU 37 3HD2 LEU 37 -12.381 -8.446 -1.773 316 1HD2 LEU 37 1HD1 LEU 37 -10.707 -5.250 -3.987 317 2HD2 LEU 37 2HD1 LEU 37 -12.427 -5.379 -3.627 318 3HD2 LEU 37 3HD1 LEU 37 -11.712 -6.389 -4.884 319 H ILE 38 H ILE 38 -7.786 -7.383 -1.547 320 HA ILE 38 HA ILE 38 -7.661 -9.721 -3.142 321 HB ILE 38 HB ILE 38 -6.012 -7.875 -3.097 322 1HG1 ILE 38 2HG1 ILE 38 -3.973 -9.263 -3.194 323 2HG1 ILE 38 1HG1 ILE 38 -4.814 -10.565 -2.352 324 1HG2 ILE 38 1HG2 ILE 38 -6.097 -7.629 -0.581 325 2HG2 ILE 38 2HG2 ILE 38 -4.470 -7.616 -1.260 326 3HG2 ILE 38 3HG2 ILE 38 -5.084 -9.069 -0.471 327 1HD1 ILE 38 1HD1 ILE 38 -6.406 -10.782 -4.186 328 2HD1 ILE 38 2HD1 ILE 38 -4.767 -10.891 -4.830 329 3HD1 ILE 38 3HD1 ILE 38 -5.688 -9.398 -5.010 330 H LEU 39 H LEU 39 -7.025 -9.301 0.348 331 HA LEU 39 HA LEU 39 -6.013 -11.875 0.930 332 1HB LEU 39 2HB LEU 39 -6.182 -9.732 2.332 333 2HB LEU 39 1HB LEU 39 -7.854 -10.190 2.651 334 HG LEU 39 HG LEU 39 -5.463 -11.941 3.222 335 1HD1 LEU 39 1HD1 LEU 39 -5.429 -11.163 5.403 336 2HD1 LEU 39 2HD1 LEU 39 -7.136 -10.713 5.374 337 3HD1 LEU 39 3HD1 LEU 39 -5.940 -9.692 4.574 338 1HD2 LEU 39 1HD2 LEU 39 -7.377 -12.936 4.782 339 2HD2 LEU 39 2HD2 LEU 39 -7.232 -13.436 3.098 340 3HD2 LEU 39 3HD2 LEU 39 -8.424 -12.220 3.556 341 H ILE 40 H ILE 40 -9.378 -10.669 1.159 342 HA ILE 40 HA ILE 40 -10.580 -13.161 1.811 343 HB ILE 40 HB ILE 40 -11.633 -10.747 0.364 344 1HG1 ILE 40 2HG1 ILE 40 -11.657 -11.507 3.297 345 2HG1 ILE 40 1HG1 ILE 40 -10.650 -10.251 2.573 346 1HG2 ILE 40 1HG2 ILE 40 -13.250 -12.431 0.020 347 2HG2 ILE 40 2HG2 ILE 40 -13.819 -11.595 1.464 348 3HG2 ILE 40 3HG2 ILE 40 -12.975 -13.135 1.613 349 1HD1 ILE 40 1HD1 ILE 40 -13.631 -10.280 2.974 350 2HD1 ILE 40 2HD1 ILE 40 -12.920 -9.287 1.703 351 3HD1 ILE 40 3HD1 ILE 40 -12.469 -9.021 3.386 352 H PHE 41 H PHE 41 -10.099 -11.571 -1.348 353 HA PHE 41 HA PHE 41 -11.450 -13.398 -3.013 354 1HB PHE 41 2HB PHE 41 -10.477 -11.263 -3.734 355 2HB PHE 41 1HB PHE 41 -8.853 -11.874 -3.414 356 HD1 PHE 41 1HD PHE 41 -11.922 -13.059 -5.241 357 HD2 PHE 41 2HD PHE 41 -7.659 -12.534 -5.283 358 HE1 PHE 41 1HE PHE 41 -11.824 -14.028 -7.524 359 HE2 PHE 41 2HE PHE 41 -7.562 -13.503 -7.564 360 HZ PHE 41 HZ PHE 41 -9.643 -14.249 -8.683 361 H LEU 42 H LEU 42 -8.041 -13.488 -1.950 362 HA LEU 42 HA LEU 42 -7.223 -15.845 -3.237 363 1HB LEU 42 2HB LEU 42 -5.965 -14.081 -1.851 364 2HB LEU 42 1HB LEU 42 -6.479 -14.987 -0.429 365 HG LEU 42 HG LEU 42 -4.951 -16.174 -2.746 366 1HD1 LEU 42 1HD1 LEU 42 -4.049 -14.505 -0.608 367 2HD1 LEU 42 2HD1 LEU 42 -3.077 -15.335 -1.824 368 3HD1 LEU 42 3HD1 LEU 42 -3.462 -16.141 -0.303 369 1HD2 LEU 42 1HD2 LEU 42 -6.134 -17.228 -0.231 370 2HD2 LEU 42 2HD2 LEU 42 -4.521 -17.814 -0.635 371 3HD2 LEU 42 3HD2 LEU 42 -5.852 -18.045 -1.769 372 H LEU 43 H LEU 43 -8.880 -15.444 -0.098 373 HA LEU 43 HA LEU 43 -8.807 -18.135 0.777 374 1HB LEU 43 2HB LEU 43 -9.471 -16.177 2.119 375 2HB LEU 43 1HB LEU 43 -10.930 -16.002 1.141 376 HG LEU 43 HG LEU 43 -11.690 -18.233 1.853 377 1HD1 LEU 43 1HD2 LEU 43 -10.421 -19.371 3.696 378 2HD1 LEU 43 2HD2 LEU 43 -9.119 -18.203 3.462 379 3HD1 LEU 43 3HD2 LEU 43 -9.542 -19.324 2.167 380 1HD2 LEU 43 1HD1 LEU 43 -12.639 -17.286 3.666 381 2HD2 LEU 43 2HD1 LEU 43 -11.555 -15.916 3.425 382 3HD2 LEU 43 3HD1 LEU 43 -11.095 -17.226 4.515 383 H LEU 44 H LEU 44 -11.443 -16.500 -1.047 384 HA LEU 44 HA LEU 44 -13.053 -18.849 -1.322 385 1HB LEU 44 2HB LEU 44 -12.852 -16.193 -2.731 386 2HB LEU 44 1HB LEU 44 -14.012 -17.408 -3.265 387 HG LEU 44 HG LEU 44 -15.064 -15.856 -1.671 388 1HD1 LEU 44 1HD2 LEU 44 -14.688 -18.372 -0.088 389 2HD1 LEU 44 2HD2 LEU 44 -15.390 -18.485 -1.703 390 3HD1 LEU 44 3HD2 LEU 44 -16.174 -17.498 -0.467 391 1HD2 LEU 44 1HD1 LEU 44 -12.907 -15.340 -0.450 392 2HD2 LEU 44 2HD1 LEU 44 -13.089 -16.886 0.378 393 3HD2 LEU 44 3HD1 LEU 44 -14.300 -15.622 0.593 394 H ILE 45 H ILE 45 -10.806 -17.315 -3.667 395 HA ILE 45 HA ILE 45 -11.169 -19.379 -5.636 396 HB ILE 45 HB ILE 45 -9.247 -17.126 -5.202 397 1HG1 ILE 45 2HG1 ILE 45 -10.377 -16.240 -7.238 398 2HG1 ILE 45 1HG1 ILE 45 -11.406 -17.668 -7.256 399 1HG2 ILE 45 1HG2 ILE 45 -9.202 -19.233 -7.356 400 2HG2 ILE 45 2HG2 ILE 45 -7.855 -18.624 -6.392 401 3HG2 ILE 45 3HG2 ILE 45 -8.569 -17.612 -7.648 402 1HD1 ILE 45 1HD1 ILE 45 -11.245 -15.802 -4.885 403 2HD1 ILE 45 2HD1 ILE 45 -12.443 -17.057 -5.187 404 3HD1 ILE 45 3HD1 ILE 45 -12.420 -15.601 -6.180 405 H CYS 46 H CYS 46 -9.596 -19.576 -2.680 406 HA CYS 46 HA CYS 46 -7.397 -21.282 -3.638 407 1HB CYS 46 2HB CYS 46 -6.975 -19.637 -1.900 408 2HB CYS 46 1HB CYS 46 -8.249 -20.339 -0.916 409 HG CYS 46 HG CYS 46 -6.260 -22.487 -1.535 410 H ILE 47 H ILE 47 -10.517 -21.547 -2.050 411 HA ILE 47 HA ILE 47 -10.245 -24.210 -1.051 412 HB ILE 47 HB ILE 47 -12.641 -22.584 -1.950 413 1HG1 ILE 47 2HG1 ILE 47 -11.317 -22.924 0.763 414 2HG1 ILE 47 1HG1 ILE 47 -11.261 -21.470 -0.234 415 1HG2 ILE 47 1HG2 ILE 47 -12.445 -24.983 -0.112 416 2HG2 ILE 47 2HG2 ILE 47 -13.163 -24.975 -1.721 417 3HG2 ILE 47 3HG2 ILE 47 -13.906 -24.047 -0.419 418 1HD1 ILE 47 1HD1 ILE 47 -13.842 -21.551 -0.160 419 2HD1 ILE 47 2HD1 ILE 47 -13.004 -21.043 1.306 420 3HD1 ILE 47 3HD1 ILE 47 -13.637 -22.684 1.175 421 H ILE 48 H ILE 48 -10.568 -23.032 -4.271 422 HA ILE 48 HA ILE 48 -11.727 -25.573 -5.237 423 HB ILE 48 HB ILE 48 -12.627 -23.378 -5.990 424 1HG1 ILE 48 2HG1 ILE 48 -12.583 -23.885 -8.407 425 2HG1 ILE 48 1HG1 ILE 48 -11.218 -24.973 -8.154 426 1HG2 ILE 48 1HG2 ILE 48 -10.519 -22.095 -5.920 427 2HG2 ILE 48 2HG2 ILE 48 -11.245 -22.007 -7.523 428 3HG2 ILE 48 3HG2 ILE 48 -9.874 -23.074 -7.236 429 1HD1 ILE 48 1HD1 ILE 48 -13.432 -25.561 -6.347 430 2HD1 ILE 48 2HD1 ILE 48 -12.564 -26.641 -7.439 431 3HD1 ILE 48 3HD1 ILE 48 -13.913 -25.676 -8.041 432 H VAL 49 H VAL 49 -8.774 -23.616 -5.488 433 HA VAL 49 HA VAL 49 -7.495 -25.370 -7.430 434 HB VAL 49 HB VAL 49 -7.005 -22.944 -7.106 435 1HG1 VAL 49 1HG2 VAL 49 -5.966 -22.112 -5.161 436 2HG1 VAL 49 2HG2 VAL 49 -5.481 -23.721 -4.622 437 3HG1 VAL 49 3HG2 VAL 49 -7.170 -23.229 -4.521 438 1HG2 VAL 49 1HG1 VAL 49 -4.373 -23.492 -6.652 439 2HG2 VAL 49 2HG1 VAL 49 -5.177 -23.772 -8.196 440 3HG2 VAL 49 3HG1 VAL 49 -4.976 -25.100 -7.052 441 H MET 50 H MET 50 -7.589 -25.185 -3.901 442 HA MET 50 HA MET 50 -5.375 -26.984 -3.462 443 1HB MET 50 2HB MET 50 -7.678 -26.080 -1.759 444 2HB MET 50 1HB MET 50 -6.276 -26.943 -1.142 445 1HG MET 50 2HG MET 50 -6.198 -24.271 -2.577 446 2HG MET 50 1HG MET 50 -6.037 -24.495 -0.835 447 1HE MET 50 1HE MET 50 -3.733 -23.019 -2.776 448 2HE MET 50 2HE MET 50 -2.471 -23.529 -1.655 449 3HE MET 50 3HE MET 50 -4.057 -23.071 -1.038 450 H LEU 51 H LEU 51 -8.416 -27.590 -4.740 451 HA LEU 51 HA LEU 51 -8.580 -30.304 -3.496 452 1HB LEU 51 2HB LEU 51 -10.559 -28.664 -5.110 453 2HB LEU 51 1HB LEU 51 -10.900 -30.222 -4.358 454 HG LEU 51 HG LEU 51 -10.063 -27.703 -2.892 455 1HD1 LEU 51 1HD1 LEU 51 -12.689 -29.161 -2.641 456 2HD1 LEU 51 2HD1 LEU 51 -12.456 -27.932 -3.885 457 3HD1 LEU 51 3HD1 LEU 51 -12.303 -27.505 -2.182 458 1HD2 LEU 51 1HD2 LEU 51 -10.655 -30.530 -1.999 459 2HD2 LEU 51 2HD2 LEU 51 -10.744 -29.160 -0.892 460 3HD2 LEU 51 3HD2 LEU 51 -9.215 -29.566 -1.673 461 H LEU 52 H LEU 52 -6.972 -29.088 -6.004 462 HA LEU 52 HA LEU 52 -7.874 -31.128 -7.994 463 1HB LEU 52 2HB LEU 52 -6.101 -28.673 -8.219 464 2HB LEU 52 1HB LEU 52 -6.597 -29.696 -9.568 465 HG LEU 52 HG LEU 52 -8.465 -28.144 -7.753 466 1HD1 LEU 52 1HD1 LEU 52 -6.957 -27.337 -10.017 467 2HD1 LEU 52 2HD1 LEU 52 -8.236 -26.437 -9.201 468 3HD1 LEU 52 3HD1 LEU 52 -8.629 -27.501 -10.551 469 1HD2 LEU 52 1HD2 LEU 52 -9.952 -28.886 -9.885 470 2HD2 LEU 52 2HD2 LEU 52 -9.847 -29.850 -8.412 471 3HD2 LEU 52 3HD2 LEU 52 -8.847 -30.259 -9.807
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