NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16688 | 2akk | 6746 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -12.141 -19.214 -6.345 2 2H MET 1 2HT MET 1 -12.112 -19.200 -8.037 3 3H MET 1 3HT MET 1 -13.069 -18.079 -7.199 4 HA MET 1 HA MET 1 -10.114 -18.224 -7.201 5 1HB MET 1 2HB MET 1 -12.043 -16.194 -8.349 6 2HB MET 1 1HB MET 1 -10.310 -15.943 -8.218 7 1HG MET 1 2HG MET 1 -10.733 -16.576 -10.441 8 2HG MET 1 1HG MET 1 -10.009 -17.976 -9.654 9 1HE MET 1 1HE MET 1 -11.520 -18.131 -12.446 10 2HE MET 1 2HE MET 1 -12.470 -19.602 -12.227 11 3HE MET 1 3HE MET 1 -10.807 -19.532 -11.647 12 H SER 2 H SER 2 -9.343 -17.737 -5.278 13 HA SER 2 HA SER 2 -10.536 -15.488 -3.826 14 1HB SER 2 2HB SER 2 -9.835 -18.176 -2.626 15 2HB SER 2 1HB SER 2 -10.194 -16.734 -1.678 16 HG SER 2 HG SER 2 -12.223 -16.740 -3.068 17 H ILE 3 H ILE 3 -8.872 -14.156 -4.399 18 HA ILE 3 HA ILE 3 -6.223 -14.867 -3.318 19 HB ILE 3 HB ILE 3 -5.294 -13.124 -4.850 20 1HG1 ILE 3 2HG1 ILE 3 -8.052 -13.212 -6.107 21 2HG1 ILE 3 1HG1 ILE 3 -7.402 -11.857 -5.193 22 1HG2 ILE 3 1HG2 ILE 3 -5.156 -15.468 -5.427 23 2HG2 ILE 3 2HG2 ILE 3 -5.433 -14.506 -6.879 24 3HG2 ILE 3 3HG2 ILE 3 -6.762 -15.411 -6.153 25 1HD1 ILE 3 1HD1 ILE 3 -5.652 -11.571 -6.869 26 2HD1 ILE 3 2HD1 ILE 3 -7.262 -11.456 -7.578 27 3HD1 ILE 3 3HD1 ILE 3 -6.310 -12.926 -7.785 28 H GLU 4 H GLU 4 -7.847 -14.132 -1.456 29 HA GLU 4 HA GLU 4 -8.342 -11.389 -1.092 30 1HB GLU 4 2HB GLU 4 -8.197 -13.688 0.839 31 2HB GLU 4 1HB GLU 4 -8.600 -12.052 1.345 32 1HG GLU 4 2HG GLU 4 -10.556 -12.032 0.015 33 2HG GLU 4 1HG GLU 4 -10.089 -13.527 -0.792 34 H VAL 5 H VAL 5 -6.681 -10.079 -1.306 35 HA VAL 5 HA VAL 5 -4.189 -10.524 0.104 36 HB VAL 5 HB VAL 5 -5.017 -8.041 -1.403 37 1HG1 VAL 5 1HG1 VAL 5 -2.340 -9.177 -0.623 38 2HG1 VAL 5 2HG1 VAL 5 -3.099 -7.711 0.000 39 3HG1 VAL 5 3HG1 VAL 5 -2.567 -7.785 -1.680 40 1HG2 VAL 5 1HG2 VAL 5 -5.241 -9.996 -2.869 41 2HG2 VAL 5 2HG2 VAL 5 -3.580 -10.456 -2.494 42 3HG2 VAL 5 3HG2 VAL 5 -3.904 -8.957 -3.362 43 H ARG 6 H ARG 6 -3.883 -9.905 2.131 44 HA ARG 6 HA ARG 6 -5.465 -7.659 3.174 45 1HB ARG 6 2HB ARG 6 -4.682 -10.153 4.673 46 2HB ARG 6 1HB ARG 6 -5.572 -8.797 5.333 47 1HG ARG 6 2HG ARG 6 -7.425 -9.267 4.000 48 2HG ARG 6 1HG ARG 6 -6.548 -10.433 3.023 49 1HD ARG 6 2HD ARG 6 -6.260 -11.808 5.066 50 2HD ARG 6 1HD ARG 6 -7.304 -10.675 5.922 51 HE ARG 6 HE ARG 6 -8.923 -11.339 3.967 52 1HH1 ARG 6 1HH1 ARG 6 -6.762 -13.421 5.764 53 2HH1 ARG 6 2HH1 ARG 6 -7.764 -14.835 5.576 54 1HH2 ARG 6 1HH2 ARG 6 -10.231 -13.216 3.682 55 2HH2 ARG 6 2HH2 ARG 6 -9.709 -14.715 4.398 56 H ASP 7 H ASP 7 -4.425 -6.417 4.822 57 HA ASP 7 HA ASP 7 -1.666 -5.958 4.249 58 1HB ASP 7 2HB ASP 7 -1.874 -4.030 5.509 59 2HB ASP 7 1HB ASP 7 -3.549 -4.302 5.053 60 H CYS 8 H CYS 8 -0.367 -5.384 6.482 61 HA CYS 8 HA CYS 8 0.628 -7.807 7.410 62 1HB CYS 8 2HB CYS 8 1.722 -6.408 9.185 63 2HB CYS 8 1HB CYS 8 1.958 -5.824 7.539 64 HG CYS 8 HG CYS 8 -0.620 -4.216 8.290 65 H ASN 9 H ASN 9 -1.999 -5.840 8.657 66 HA ASN 9 HA ASN 9 -2.230 -7.355 11.099 67 1HB ASN 9 2HB ASN 9 -3.956 -5.223 9.832 68 2HB ASN 9 1HB ASN 9 -4.294 -5.970 11.379 69 1HD2 ASN 9 1HD2 ASN 9 -2.247 -3.805 9.630 70 2HD2 ASN 9 2HD2 ASN 9 -1.465 -3.105 11.013 71 H GLY 10 H GLY 10 -4.278 -6.804 8.242 72 1HA GLY 10 2HA GLY 10 -4.957 -9.197 7.381 73 2HA GLY 10 1HA GLY 10 -5.799 -9.218 8.922 74 H ALA 11 H ALA 11 -5.595 -6.154 7.358 75 HA ALA 11 HA ALA 11 -8.452 -6.179 6.890 76 1HB ALA 11 1HB ALA 11 -7.440 -4.194 7.847 77 2HB ALA 11 2HB ALA 11 -8.127 -3.819 6.266 78 3HB ALA 11 3HB ALA 11 -6.385 -4.029 6.443 79 H LEU 12 H LEU 12 -9.456 -6.229 4.938 80 HA LEU 12 HA LEU 12 -7.957 -7.444 2.819 81 1HB LEU 12 2HB LEU 12 -10.837 -6.862 3.324 82 2HB LEU 12 1HB LEU 12 -10.318 -7.287 1.702 83 HG LEU 12 HG LEU 12 -9.618 -9.027 4.052 84 1HD1 LEU 12 1HD1 LEU 12 -12.054 -8.751 4.064 85 2HD1 LEU 12 2HD1 LEU 12 -11.592 -10.375 3.555 86 3HD1 LEU 12 3HD1 LEU 12 -12.114 -9.190 2.357 87 1HD2 LEU 12 1HD2 LEU 12 -9.488 -10.737 2.313 88 2HD2 LEU 12 2HD2 LEU 12 -8.424 -9.377 1.955 89 3HD2 LEU 12 3HD2 LEU 12 -9.956 -9.546 1.099 90 H LEU 13 H LEU 13 -7.345 -6.675 0.931 91 HA LEU 13 HA LEU 13 -7.858 -3.831 0.359 92 1HB LEU 13 2HB LEU 13 -5.549 -5.591 -0.473 93 2HB LEU 13 1HB LEU 13 -5.749 -3.908 -0.922 94 HG LEU 13 HG LEU 13 -5.486 -4.833 1.931 95 1HD1 LEU 13 1HD1 LEU 13 -3.364 -3.783 0.065 96 2HD1 LEU 13 2HD1 LEU 13 -3.467 -5.421 0.709 97 3HD1 LEU 13 3HD1 LEU 13 -3.164 -4.064 1.794 98 1HD2 LEU 13 1HD2 LEU 13 -5.019 -2.496 2.377 99 2HD2 LEU 13 2HD2 LEU 13 -6.581 -2.658 1.575 100 3HD2 LEU 13 3HD2 LEU 13 -5.172 -2.114 0.661 101 H ALA 14 H ALA 14 -7.750 -3.299 -1.998 102 HA ALA 14 HA ALA 14 -8.385 -5.371 -3.891 103 1HB ALA 14 1HB ALA 14 -10.563 -5.065 -2.797 104 2HB ALA 14 2HB ALA 14 -10.600 -4.546 -4.482 105 3HB ALA 14 3HB ALA 14 -10.515 -3.346 -3.193 106 H ASP 15 H ASP 15 -9.152 -4.158 -6.041 107 HA ASP 15 HA ASP 15 -7.076 -2.398 -6.798 108 1HB ASP 15 2HB ASP 15 -8.258 -3.838 -8.414 109 2HB ASP 15 1HB ASP 15 -9.731 -2.909 -8.165 110 H GLY 16 H GLY 16 -6.855 -0.341 -6.276 111 1HA GLY 16 2HA GLY 16 -7.581 1.925 -6.403 112 2HA GLY 16 1HA GLY 16 -9.237 1.375 -6.193 113 H ASP 17 H ASP 17 -7.170 -0.239 -4.096 114 HA ASP 17 HA ASP 17 -8.222 1.286 -1.849 115 1HB ASP 17 2HB ASP 17 -7.881 -1.379 -2.168 116 2HB ASP 17 1HB ASP 17 -6.382 -0.977 -1.342 117 H ASN 18 H ASN 18 -6.552 1.416 0.081 118 HA ASN 18 HA ASN 18 -4.019 2.445 -0.974 119 1HB ASN 18 2HB ASN 18 -4.241 4.393 0.646 120 2HB ASN 18 1HB ASN 18 -5.239 4.449 -0.802 121 1HD2 ASN 18 1HD2 ASN 18 -7.411 4.233 -0.640 122 2HD2 ASN 18 2HD2 ASN 18 -8.262 4.374 0.862 123 H VAL 19 H VAL 19 -2.292 2.197 0.262 124 HA VAL 19 HA VAL 19 -2.643 1.143 2.982 125 HB VAL 19 HB VAL 19 -0.776 -0.424 2.636 126 1HG1 VAL 19 1HG1 VAL 19 -3.006 -0.819 0.647 127 2HG1 VAL 19 2HG1 VAL 19 -3.091 -1.186 2.370 128 3HG1 VAL 19 3HG1 VAL 19 -1.978 -2.080 1.331 129 1HG2 VAL 19 1HG2 VAL 19 0.013 -0.942 0.376 130 2HG2 VAL 19 2HG2 VAL 19 0.373 0.727 0.820 131 3HG2 VAL 19 3HG2 VAL 19 -0.970 0.375 -0.266 132 H SER 20 H SER 20 -0.388 1.121 4.092 133 HA SER 20 HA SER 20 1.405 3.191 3.171 134 1HB SER 20 2HB SER 20 -0.276 3.483 5.646 135 2HB SER 20 1HB SER 20 1.246 4.352 5.456 136 HG SER 20 HG SER 20 -0.633 4.449 3.387 137 H LEU 21 H LEU 21 3.428 3.162 4.167 138 HA LEU 21 HA LEU 21 4.414 0.626 4.811 139 1HB LEU 21 2HB LEU 21 5.481 3.401 4.858 140 2HB LEU 21 1HB LEU 21 6.397 2.163 5.687 141 HG LEU 21 HG LEU 21 7.216 2.573 3.410 142 1HD1 LEU 21 1HD1 LEU 21 5.970 -0.150 3.642 143 2HD1 LEU 21 2HD1 LEU 21 7.389 0.369 4.543 144 3HD1 LEU 21 3HD1 LEU 21 7.449 0.290 2.781 145 1HD2 LEU 21 1HD2 LEU 21 4.537 1.515 2.522 146 2HD2 LEU 21 2HD2 LEU 21 5.912 1.874 1.478 147 3HD2 LEU 21 3HD2 LEU 21 5.099 3.177 2.346 148 H ILE 22 H ILE 22 4.600 -0.497 6.660 149 HA ILE 22 HA ILE 22 3.774 0.775 9.162 150 HB ILE 22 HB ILE 22 3.756 -1.431 10.140 151 1HG1 ILE 22 2HG1 ILE 22 4.838 -2.458 7.508 152 2HG1 ILE 22 1HG1 ILE 22 5.796 -2.272 8.973 153 1HG2 ILE 22 1HG2 ILE 22 2.090 -2.522 8.724 154 2HG2 ILE 22 2HG2 ILE 22 2.541 -1.469 7.384 155 3HG2 ILE 22 3HG2 ILE 22 1.812 -0.784 8.837 156 1HD1 ILE 22 1HD1 ILE 22 3.425 -4.091 8.631 157 2HD1 ILE 22 2HD1 ILE 22 4.389 -3.912 10.098 158 3HD1 ILE 22 3HD1 ILE 22 5.122 -4.574 8.636 159 H LYS 23 H LYS 23 6.584 0.182 7.482 160 HA LYS 23 HA LYS 23 8.256 0.927 9.700 161 1HB LYS 23 2HB LYS 23 9.827 -1.047 9.227 162 2HB LYS 23 1HB LYS 23 8.381 -1.386 10.167 163 1HG LYS 23 2HG LYS 23 7.379 -2.556 8.461 164 2HG LYS 23 1HG LYS 23 8.332 -1.757 7.215 165 1HD LYS 23 2HD LYS 23 9.098 -4.005 7.367 166 2HD LYS 23 1HD LYS 23 10.337 -2.978 8.080 167 1HE LYS 23 2HE LYS 23 8.247 -4.345 9.750 168 2HE LYS 23 1HE LYS 23 9.743 -5.149 9.281 169 1HZ LYS 23 1HZ LYS 23 10.931 -3.216 10.318 170 2HZ LYS 23 2HZ LYS 23 10.105 -4.222 11.400 171 3HZ LYS 23 3HZ LYS 23 9.440 -2.725 10.967 172 H ASP 24 H ASP 24 10.665 0.839 8.796 173 HA ASP 24 HA ASP 24 10.572 2.249 6.244 174 1HB ASP 24 2HB ASP 24 13.079 1.793 7.832 175 2HB ASP 24 1HB ASP 24 12.670 3.136 6.776 176 H LEU 25 H LEU 25 11.031 1.256 4.387 177 HA LEU 25 HA LEU 25 12.566 -1.265 4.464 178 1HB LEU 25 2HB LEU 25 10.227 -0.462 2.744 179 2HB LEU 25 1HB LEU 25 11.311 -1.747 2.266 180 HG LEU 25 HG LEU 25 9.328 -2.687 3.247 181 1HD1 LEU 25 1HD1 LEU 25 10.295 -3.995 5.107 182 2HD1 LEU 25 2HD1 LEU 25 11.695 -2.918 5.099 183 3HD1 LEU 25 3HD1 LEU 25 11.346 -3.922 3.691 184 1HD2 LEU 25 1HD2 LEU 25 8.743 -0.711 4.609 185 2HD2 LEU 25 2HD2 LEU 25 9.965 -1.204 5.776 186 3HD2 LEU 25 3HD2 LEU 25 8.578 -2.246 5.453 187 H LYS 26 H LYS 26 14.422 -1.255 3.348 188 HA LYS 26 HA LYS 26 14.912 1.041 1.588 189 1HB LYS 26 2HB LYS 26 16.497 0.803 3.419 190 2HB LYS 26 1HB LYS 26 16.840 -0.839 2.922 191 1HG LYS 26 2HG LYS 26 17.283 1.061 0.785 192 2HG LYS 26 1HG LYS 26 18.262 1.396 2.211 193 1HD LYS 26 2HD LYS 26 18.097 -1.280 0.824 194 2HD LYS 26 1HD LYS 26 19.385 -0.098 0.583 195 1HE LYS 26 2HE LYS 26 19.906 -0.230 2.993 196 2HE LYS 26 1HE LYS 26 18.675 -1.480 3.168 197 1HZ LYS 26 1HZ LYS 26 19.918 -2.933 1.765 198 2HZ LYS 26 2HZ LYS 26 20.975 -2.333 2.949 199 3HZ LYS 26 3HZ LYS 26 21.031 -1.713 1.374 200 H LEU 27 H LEU 27 15.423 0.851 -0.454 201 HA LEU 27 HA LEU 27 15.478 -1.827 -1.667 202 1HB LEU 27 2HB LEU 27 14.429 0.809 -2.592 203 2HB LEU 27 1HB LEU 27 15.062 -0.290 -3.796 204 HG LEU 27 HG LEU 27 12.653 -0.514 -3.634 205 1HD1 LEU 27 1HD1 LEU 27 14.096 -2.888 -2.472 206 2HD1 LEU 27 2HD1 LEU 27 13.936 -2.498 -4.184 207 3HD1 LEU 27 3HD1 LEU 27 12.508 -2.922 -3.239 208 1HD2 LEU 27 1HD2 LEU 27 11.582 -1.349 -1.601 209 2HD2 LEU 27 2HD2 LEU 27 12.345 0.219 -1.332 210 3HD2 LEU 27 3HD2 LEU 27 13.123 -1.253 -0.750 211 H LYS 28 H LYS 28 17.005 -2.220 -3.321 212 HA LYS 28 HA LYS 28 19.557 -1.149 -2.646 213 1HB LYS 28 2HB LYS 28 18.709 -3.075 -4.804 214 2HB LYS 28 1HB LYS 28 20.383 -2.650 -4.473 215 1HG LYS 28 2HG LYS 28 20.072 -3.495 -2.153 216 2HG LYS 28 1HG LYS 28 18.466 -4.055 -2.627 217 1HD LYS 28 2HD LYS 28 20.153 -5.846 -2.742 218 2HD LYS 28 1HD LYS 28 19.434 -5.500 -4.317 219 1HE LYS 28 2HE LYS 28 21.376 -4.112 -4.884 220 2HE LYS 28 1HE LYS 28 22.096 -4.489 -3.320 221 1HZ LYS 28 1HZ LYS 28 21.409 -6.521 -5.372 222 2HZ LYS 28 2HZ LYS 28 22.276 -6.772 -3.931 223 3HZ LYS 28 3HZ LYS 28 22.952 -5.844 -5.177 224 H GLY 29 H GLY 29 17.294 -0.622 -5.264 225 1HA GLY 29 2HA GLY 29 18.984 0.470 -7.188 226 2HA GLY 29 1HA GLY 29 17.282 0.865 -7.007 227 H SER 30 H SER 30 20.468 1.957 -6.736 228 HA SER 30 HA SER 30 21.416 3.954 -6.237 229 1HB SER 30 2HB SER 30 18.575 4.987 -6.434 230 2HB SER 30 1HB SER 30 20.040 5.966 -6.521 231 HG SER 30 HG SER 30 19.712 3.797 -8.290 232 H SER 31 H SER 31 20.232 2.216 -4.096 233 HA SER 31 HA SER 31 19.816 2.176 -1.872 234 1HB SER 31 2HB SER 31 22.086 3.198 -1.826 235 2HB SER 31 1HB SER 31 21.341 4.796 -1.838 236 HG SER 31 HG SER 31 20.890 4.610 0.211 237 H THR 32 H THR 32 17.548 2.515 -2.522 238 HA THR 32 HA THR 32 16.512 5.159 -1.773 239 HB THR 32 HB THR 32 15.066 2.853 -3.105 240 HG1 THR 32 1HG THR 32 16.703 3.887 -4.426 241 1HG2 THR 32 1HG2 THR 32 13.568 4.316 -1.838 242 2HG2 THR 32 2HG2 THR 32 13.321 4.509 -3.574 243 3HG2 THR 32 3HG2 THR 32 14.228 5.723 -2.670 244 H VAL 33 H VAL 33 16.291 5.229 0.389 245 HA VAL 33 HA VAL 33 15.284 2.859 1.801 246 HB VAL 33 HB VAL 33 16.293 5.457 2.984 247 1HG1 VAL 33 1HG1 VAL 33 15.814 2.736 4.193 248 2HG1 VAL 33 2HG1 VAL 33 14.889 4.206 4.501 249 3HG1 VAL 33 3HG1 VAL 33 16.569 4.096 5.024 250 1HG2 VAL 33 1HG2 VAL 33 18.043 4.353 1.651 251 2HG2 VAL 33 2HG2 VAL 33 17.806 2.877 2.586 252 3HG2 VAL 33 3HG2 VAL 33 18.408 4.334 3.375 253 H LEU 34 H LEU 34 13.088 2.817 1.583 254 HA LEU 34 HA LEU 34 11.506 5.214 1.793 255 1HB LEU 34 2HB LEU 34 10.774 2.297 1.660 256 2HB LEU 34 1HB LEU 34 9.580 3.562 1.885 257 HG LEU 34 HG LEU 34 10.671 4.548 -0.298 258 1HD1 LEU 34 1HD1 LEU 34 11.363 2.782 -1.847 259 2HD1 LEU 34 2HD1 LEU 34 11.298 1.612 -0.530 260 3HD1 LEU 34 3HD1 LEU 34 12.466 2.933 -0.478 261 1HD2 LEU 34 1HD2 LEU 34 8.353 3.875 -0.020 262 2HD2 LEU 34 2HD2 LEU 34 8.797 2.192 -0.306 263 3HD2 LEU 34 3HD2 LEU 34 8.977 3.383 -1.594 264 H LYS 35 H LYS 35 10.076 5.703 3.479 265 HA LYS 35 HA LYS 35 11.042 4.675 6.058 266 1HB LYS 35 2HB LYS 35 10.131 7.384 5.174 267 2HB LYS 35 1HB LYS 35 10.052 6.939 6.868 268 1HG LYS 35 2HG LYS 35 12.581 6.717 5.269 269 2HG LYS 35 1HG LYS 35 12.115 8.200 6.108 270 1HD LYS 35 2HD LYS 35 12.534 5.485 7.362 271 2HD LYS 35 1HD LYS 35 13.636 6.859 7.468 272 1HE LYS 35 2HE LYS 35 11.992 8.138 8.697 273 2HE LYS 35 1HE LYS 35 10.794 6.859 8.488 274 1HZ LYS 35 1HZ LYS 35 11.799 6.799 10.685 275 2HZ LYS 35 2HZ LYS 35 13.340 6.592 9.997 276 3HZ LYS 35 3HZ LYS 35 12.155 5.394 9.807 277 H ARG 36 H ARG 36 9.575 4.624 7.801 278 HA ARG 36 HA ARG 36 7.081 3.451 7.306 279 1HB ARG 36 2HB ARG 36 8.420 3.240 9.396 280 2HB ARG 36 1HB ARG 36 8.016 4.903 9.788 281 1HG ARG 36 2HG ARG 36 5.691 4.357 9.983 282 2HG ARG 36 1HG ARG 36 5.994 2.708 9.431 283 1HD ARG 36 2HD ARG 36 7.357 2.277 11.391 284 2HD ARG 36 1HD ARG 36 7.134 3.943 11.934 285 HE ARG 36 HE ARG 36 4.761 2.266 11.564 286 1HH1 ARG 36 1HH1 ARG 36 7.030 3.763 13.772 287 2HH1 ARG 36 2HH1 ARG 36 5.918 3.761 15.111 288 1HH2 ARG 36 1HH2 ARG 36 3.314 2.241 13.303 289 2HH2 ARG 36 2HH2 ARG 36 3.791 2.906 14.839 290 H GLY 37 H GLY 37 5.017 4.278 7.188 291 1HA GLY 37 2HA GLY 37 3.378 5.967 7.500 292 2HA GLY 37 1HA GLY 37 4.665 7.156 7.632 293 H THR 38 H THR 38 5.803 5.642 5.130 294 HA THR 38 HA THR 38 4.960 7.440 3.165 295 HB THR 38 HB THR 38 6.065 4.648 2.744 296 HG1 THR 38 1HG THR 38 7.642 5.678 3.822 297 1HG2 THR 38 1HG2 THR 38 6.837 5.517 0.583 298 2HG2 THR 38 2HG2 THR 38 6.036 7.054 0.911 299 3HG2 THR 38 3HG2 THR 38 5.079 5.585 0.709 300 H MET 39 H MET 39 3.066 7.606 2.152 301 HA MET 39 HA MET 39 1.154 5.460 2.447 302 1HB MET 39 2HB MET 39 0.541 7.847 2.905 303 2HB MET 39 1HB MET 39 0.724 8.167 1.183 304 1HG MET 39 2HG MET 39 -1.123 6.872 0.614 305 2HG MET 39 1HG MET 39 -1.105 6.009 2.154 306 1HE MET 39 1HE MET 39 -3.863 6.567 1.775 307 2HE MET 39 2HE MET 39 -4.322 7.559 3.161 308 3HE MET 39 3HE MET 39 -3.169 6.233 3.365 309 H ILE 40 H ILE 40 0.786 4.030 0.997 310 HA ILE 40 HA ILE 40 1.341 4.635 -1.835 311 HB ILE 40 HB ILE 40 1.208 1.901 -0.537 312 1HG1 ILE 40 2HG1 ILE 40 3.601 3.504 -1.464 313 2HG1 ILE 40 1HG1 ILE 40 3.201 3.098 0.201 314 1HG2 ILE 40 1HG2 ILE 40 0.526 1.823 -2.844 315 2HG2 ILE 40 2HG2 ILE 40 2.136 1.120 -2.691 316 3HG2 ILE 40 3HG2 ILE 40 1.943 2.751 -3.333 317 1HD1 ILE 40 1HD1 ILE 40 3.950 1.156 -1.970 318 2HD1 ILE 40 2HD1 ILE 40 3.518 0.727 -0.315 319 3HD1 ILE 40 3HD1 ILE 40 4.970 1.677 -0.628 320 H ARG 41 H ARG 41 -0.657 5.513 -2.308 321 HA ARG 41 HA ARG 41 -2.983 3.813 -1.715 322 1HB ARG 41 2HB ARG 41 -4.342 5.871 -1.934 323 2HB ARG 41 1HB ARG 41 -3.173 5.944 -0.628 324 1HG ARG 41 2HG ARG 41 -2.705 7.962 -1.452 325 2HG ARG 41 1HG ARG 41 -1.777 7.077 -2.666 326 1HD ARG 41 2HD ARG 41 -3.645 7.098 -4.176 327 2HD ARG 41 1HD ARG 41 -4.674 7.828 -2.947 328 HE ARG 41 HE ARG 41 -2.416 9.174 -4.293 329 1HH1 ARG 41 1HH1 ARG 41 -5.410 9.280 -2.464 330 2HH1 ARG 41 2HH1 ARG 41 -5.663 10.981 -2.727 331 1HH2 ARG 41 1HH2 ARG 41 -2.727 11.415 -4.622 332 2HH2 ARG 41 2HH2 ARG 41 -4.117 12.207 -3.935 333 H GLY 42 H GLY 42 -4.609 3.541 -3.310 334 1HA GLY 42 2HA GLY 42 -5.353 3.347 -5.512 335 2HA GLY 42 1HA GLY 42 -3.919 4.214 -6.051 336 H ILE 43 H ILE 43 -4.185 1.338 -4.017 337 HA ILE 43 HA ILE 43 -2.264 -0.022 -5.743 338 HB ILE 43 HB ILE 43 -1.969 -1.629 -3.986 339 1HG1 ILE 43 2HG1 ILE 43 -3.360 -1.023 -1.763 340 2HG1 ILE 43 1HG1 ILE 43 -4.546 -0.543 -2.971 341 1HG2 ILE 43 1HG2 ILE 43 -1.233 -0.219 -2.142 342 2HG2 ILE 43 2HG2 ILE 43 -2.192 1.119 -2.776 343 3HG2 ILE 43 3HG2 ILE 43 -0.822 0.501 -3.699 344 1HD1 ILE 43 1HD1 ILE 43 -4.443 -2.799 -3.934 345 2HD1 ILE 43 2HD1 ILE 43 -4.947 -2.805 -2.244 346 3HD1 ILE 43 3HD1 ILE 43 -3.299 -3.267 -2.675 347 H ARG 44 H ARG 44 -2.644 -2.260 -6.369 348 HA ARG 44 HA ARG 44 -5.444 -3.095 -6.353 349 1HB ARG 44 2HB ARG 44 -5.182 -3.785 -8.784 350 2HB ARG 44 1HB ARG 44 -5.366 -2.066 -8.468 351 1HG ARG 44 2HG ARG 44 -2.920 -1.803 -8.665 352 2HG ARG 44 1HG ARG 44 -2.804 -3.513 -9.098 353 1HD ARG 44 2HD ARG 44 -4.104 -3.179 -11.068 354 2HD ARG 44 1HD ARG 44 -4.515 -1.533 -10.587 355 HE ARG 44 HE ARG 44 -1.718 -2.273 -11.148 356 1HH1 ARG 44 1HH1 ARG 44 -4.553 -0.299 -11.780 357 2HH1 ARG 44 2HH1 ARG 44 -3.717 0.753 -12.886 358 1HH2 ARG 44 1HH2 ARG 44 -0.631 -0.903 -12.575 359 2HH2 ARG 44 2HH2 ARG 44 -1.485 0.399 -13.360 360 H LEU 45 H LEU 45 -5.699 -5.363 -7.016 361 HA LEU 45 HA LEU 45 -3.726 -6.933 -5.631 362 1HB LEU 45 2HB LEU 45 -6.219 -7.870 -7.050 363 2HB LEU 45 1HB LEU 45 -5.303 -8.751 -5.843 364 HG LEU 45 HG LEU 45 -7.032 -6.322 -5.429 365 1HD1 LEU 45 1HD1 LEU 45 -8.246 -7.787 -3.906 366 2HD1 LEU 45 2HD1 LEU 45 -7.149 -9.109 -4.306 367 3HD1 LEU 45 3HD1 LEU 45 -8.211 -8.438 -5.544 368 1HD2 LEU 45 1HD2 LEU 45 -6.399 -6.396 -3.075 369 2HD2 LEU 45 2HD2 LEU 45 -5.013 -6.036 -4.105 370 3HD2 LEU 45 3HD2 LEU 45 -5.215 -7.653 -3.432 371 H THR 46 H THR 46 -2.743 -8.853 -6.535 372 HA THR 46 HA THR 46 -2.241 -8.580 -9.429 373 HB THR 46 HB THR 46 0.085 -9.347 -8.960 374 HG1 THR 46 1HG THR 46 -0.575 -8.859 -6.219 375 1HG2 THR 46 1HG2 THR 46 0.903 -7.229 -8.037 376 2HG2 THR 46 2HG2 THR 46 -0.727 -6.835 -7.491 377 3HG2 THR 46 3HG2 THR 46 -0.381 -6.960 -9.216 378 H ASP 47 H ASP 47 -0.564 -10.845 -9.653 379 HA ASP 47 HA ASP 47 -2.395 -13.042 -9.555 380 1HB ASP 47 2HB ASP 47 0.606 -12.984 -9.974 381 2HB ASP 47 1HB ASP 47 -0.387 -14.426 -10.139 382 H SER 48 H SER 48 -0.455 -11.507 -7.305 383 HA SER 48 HA SER 48 -0.139 -13.861 -5.614 384 1HB SER 48 2HB SER 48 1.036 -11.088 -5.545 385 2HB SER 48 1HB SER 48 1.311 -12.276 -4.286 386 HG SER 48 HG SER 48 2.980 -12.596 -5.597 387 H GLU 49 H GLU 49 -0.931 -13.964 -3.575 388 HA GLU 49 HA GLU 49 -3.028 -12.077 -2.810 389 1HB GLU 49 2HB GLU 49 -2.071 -14.470 -1.244 390 2HB GLU 49 1HB GLU 49 -3.624 -13.656 -1.132 391 1HG GLU 49 2HG GLU 49 -4.262 -14.498 -3.298 392 2HG GLU 49 1HG GLU 49 -2.667 -15.224 -3.506 393 H ASP 50 H ASP 50 0.221 -12.700 -2.429 394 HA ASP 50 HA ASP 50 0.490 -11.537 0.230 395 1HB ASP 50 2HB ASP 50 2.530 -12.772 -1.631 396 2HB ASP 50 1HB ASP 50 2.835 -12.274 0.031 397 H GLU 51 H GLU 51 0.571 -10.624 -3.005 398 HA GLU 51 HA GLU 51 2.177 -8.238 -2.406 399 1HB GLU 51 2HB GLU 51 2.256 -10.024 -4.800 400 2HB GLU 51 1HB GLU 51 2.659 -8.336 -4.963 401 1HG GLU 51 2HG GLU 51 4.715 -9.307 -4.681 402 2HG GLU 51 1HG GLU 51 4.325 -8.784 -3.047 403 H ILE 52 H ILE 52 1.541 -6.351 -3.290 404 HA ILE 52 HA ILE 52 -0.783 -6.329 -5.076 405 HB ILE 52 HB ILE 52 -1.461 -4.149 -3.978 406 1HG1 ILE 52 2HG1 ILE 52 -0.777 -4.284 -1.412 407 2HG1 ILE 52 1HG1 ILE 52 0.657 -5.050 -2.078 408 1HG2 ILE 52 1HG2 ILE 52 -1.695 -6.676 -2.365 409 2HG2 ILE 52 2HG2 ILE 52 -2.745 -6.170 -3.690 410 3HG2 ILE 52 3HG2 ILE 52 -2.714 -5.248 -2.186 411 1HD1 ILE 52 1HD1 ILE 52 1.086 -3.084 -3.440 412 2HD1 ILE 52 2HD1 ILE 52 0.979 -2.663 -1.730 413 3HD1 ILE 52 3HD1 ILE 52 -0.372 -2.318 -2.813 414 H GLU 53 H GLU 53 -0.877 -4.345 -6.382 415 HA GLU 53 HA GLU 53 1.801 -3.167 -6.730 416 1HB GLU 53 2HB GLU 53 1.073 -4.550 -8.626 417 2HB GLU 53 1HB GLU 53 -0.374 -3.584 -8.766 418 1HG GLU 53 2HG GLU 53 1.078 -1.600 -9.217 419 2HG GLU 53 1HG GLU 53 2.450 -2.706 -9.274 420 H GLY 54 H GLY 54 1.936 -1.053 -6.304 421 1HA GLY 54 2HA GLY 54 -0.563 0.510 -6.371 422 2HA GLY 54 1HA GLY 54 0.458 0.532 -4.944 423 H ARG 55 H ARG 55 0.644 2.794 -5.178 424 HA ARG 55 HA ARG 55 2.806 3.555 -6.961 425 1HB ARG 55 2HB ARG 55 1.659 5.364 -7.994 426 2HB ARG 55 1HB ARG 55 0.624 3.954 -8.182 427 1HG ARG 55 2HG ARG 55 -0.518 4.819 -6.023 428 2HG ARG 55 1HG ARG 55 0.262 6.348 -6.437 429 1HD ARG 55 2HD ARG 55 -1.870 6.451 -7.415 430 2HD ARG 55 1HD ARG 55 -0.766 6.074 -8.736 431 HE ARG 55 HE ARG 55 -1.938 3.752 -7.507 432 1HH1 ARG 55 1HH1 ARG 55 -2.284 6.184 -10.000 433 2HH1 ARG 55 2HH1 ARG 55 -3.465 5.274 -10.896 434 1HH2 ARG 55 1HH2 ARG 55 -3.454 2.536 -8.690 435 2HH2 ARG 55 2HH2 ARG 55 -4.130 3.190 -10.156 436 H THR 56 H THR 56 3.943 5.320 -6.216 437 HA THR 56 HA THR 56 3.067 6.473 -3.650 438 HB THR 56 HB THR 56 5.408 6.689 -2.981 439 HG1 THR 56 1HG THR 56 6.106 5.219 -5.312 440 1HG2 THR 56 1HG2 THR 56 4.831 3.884 -3.936 441 2HG2 THR 56 2HG2 THR 56 4.320 4.577 -2.396 442 3HG2 THR 56 3HG2 THR 56 6.037 4.333 -2.731 443 H ASP 57 H ASP 57 4.630 8.562 -3.358 444 HA ASP 57 HA ASP 57 3.845 10.422 -5.327 445 1HB ASP 57 2HB ASP 57 4.352 11.043 -2.991 446 2HB ASP 57 1HB ASP 57 6.049 10.665 -3.265 447 H LYS 58 H LYS 58 6.804 8.581 -4.847 448 HA LYS 58 HA LYS 58 8.059 9.985 -7.099 449 1HB LYS 58 2HB LYS 58 9.206 9.720 -4.822 450 2HB LYS 58 1HB LYS 58 9.415 8.030 -5.254 451 1HG LYS 58 2HG LYS 58 10.686 8.688 -7.230 452 2HG LYS 58 1HG LYS 58 10.466 10.385 -6.804 453 1HD LYS 58 2HD LYS 58 11.605 9.876 -4.621 454 2HD LYS 58 1HD LYS 58 12.001 8.289 -5.283 455 1HE LYS 58 2HE LYS 58 12.801 10.944 -6.469 456 2HE LYS 58 1HE LYS 58 13.853 9.879 -5.541 457 1HZ LYS 58 1HZ LYS 58 14.176 9.659 -7.938 458 2HZ LYS 58 2HZ LYS 58 12.561 9.168 -8.126 459 3HZ LYS 58 3HZ LYS 58 13.645 8.205 -7.245 460 H ILE 59 H ILE 59 7.163 6.775 -5.958 461 HA ILE 59 HA ILE 59 7.982 5.645 -8.565 462 HB ILE 59 HB ILE 59 7.545 4.037 -6.056 463 1HG1 ILE 59 2HG1 ILE 59 9.301 5.626 -5.501 464 2HG1 ILE 59 1HG1 ILE 59 10.005 4.030 -5.730 465 1HG2 ILE 59 1HG2 ILE 59 8.958 2.395 -7.219 466 2HG2 ILE 59 2HG2 ILE 59 9.053 3.481 -8.607 467 3HG2 ILE 59 3HG2 ILE 59 7.498 2.796 -8.126 468 1HD1 ILE 59 1HD1 ILE 59 10.038 6.286 -7.712 469 2HD1 ILE 59 2HD1 ILE 59 10.734 4.685 -7.965 470 3HD1 ILE 59 3HD1 ILE 59 11.388 5.745 -6.716 471 H LYS 60 H LYS 60 6.106 5.639 -9.762 472 HA LYS 60 HA LYS 60 3.724 4.549 -8.461 473 1HB LYS 60 2HB LYS 60 2.564 5.277 -10.614 474 2HB LYS 60 1HB LYS 60 3.118 6.542 -9.528 475 1HG LYS 60 2HG LYS 60 3.750 7.310 -11.610 476 2HG LYS 60 1HG LYS 60 5.219 6.576 -10.973 477 1HD LYS 60 2HD LYS 60 4.274 4.448 -12.220 478 2HD LYS 60 1HD LYS 60 3.458 5.681 -13.188 479 1HE LYS 60 2HE LYS 60 5.633 6.774 -13.561 480 2HE LYS 60 1HE LYS 60 6.409 5.476 -12.656 481 1HZ LYS 60 1HZ LYS 60 5.649 3.898 -14.313 482 2HZ LYS 60 2HZ LYS 60 6.561 5.127 -15.046 483 3HZ LYS 60 3HZ LYS 60 4.873 5.135 -15.179 484 H GLY 61 H GLY 61 2.579 2.829 -9.335 485 1HA GLY 61 2HA GLY 61 2.296 0.827 -10.400 486 2HA GLY 61 1HA GLY 61 3.387 1.408 -11.645 487 H LEU 62 H LEU 62 3.829 0.685 -8.172 488 HA LEU 62 HA LEU 62 5.959 -1.150 -9.010 489 1HB LEU 62 2HB LEU 62 7.264 -0.592 -7.169 490 2HB LEU 62 1HB LEU 62 6.644 0.945 -7.724 491 HG LEU 62 HG LEU 62 5.494 -0.593 -5.401 492 1HD1 LEU 62 1HD1 LEU 62 7.798 0.062 -4.943 493 2HD1 LEU 62 2HD1 LEU 62 6.666 1.013 -3.981 494 3HD1 LEU 62 3HD1 LEU 62 7.427 1.723 -5.407 495 1HD2 LEU 62 1HD2 LEU 62 3.909 0.956 -6.394 496 2HD2 LEU 62 2HD2 LEU 62 5.103 2.252 -6.332 497 3HD2 LEU 62 3HD2 LEU 62 4.461 1.572 -4.836 498 H VAL 63 H VAL 63 5.932 -3.173 -8.281 499 HA VAL 63 HA VAL 63 3.543 -4.041 -6.845 500 HB VAL 63 HB VAL 63 5.697 -5.735 -8.131 501 1HG1 VAL 63 1HG1 VAL 63 2.908 -6.442 -7.221 502 2HG1 VAL 63 2HG1 VAL 63 4.408 -6.902 -6.416 503 3HG1 VAL 63 3HG1 VAL 63 4.043 -7.529 -8.023 504 1HG2 VAL 63 1HG2 VAL 63 4.613 -4.347 -9.809 505 2HG2 VAL 63 2HG2 VAL 63 3.028 -4.877 -9.243 506 3HG2 VAL 63 3HG2 VAL 63 4.129 -6.033 -9.992 507 H LEU 64 H LEU 64 3.598 -4.461 -4.745 508 HA LEU 64 HA LEU 64 6.171 -5.237 -3.543 509 1HB LEU 64 2HB LEU 64 4.400 -2.981 -2.685 510 2HB LEU 64 1HB LEU 64 5.378 -3.834 -1.510 511 HG LEU 64 HG LEU 64 6.560 -2.583 -3.976 512 1HD1 LEU 64 1HD1 LEU 64 6.203 -1.392 -1.230 513 2HD1 LEU 64 2HD1 LEU 64 5.499 -0.811 -2.743 514 3HD1 LEU 64 3HD1 LEU 64 7.242 -0.730 -2.494 515 1HD2 LEU 64 1HD2 LEU 64 7.659 -3.665 -1.386 516 2HD2 LEU 64 2HD2 LEU 64 8.602 -2.667 -2.499 517 3HD2 LEU 64 3HD2 LEU 64 7.981 -4.231 -3.027 518 H ARG 65 H ARG 65 6.106 -6.598 -1.858 519 HA ARG 65 HA ARG 65 3.807 -8.139 -1.321 520 1HB ARG 65 2HB ARG 65 5.203 -8.870 0.708 521 2HB ARG 65 1HB ARG 65 5.851 -9.202 -0.887 522 1HG ARG 65 2HG ARG 65 7.374 -7.390 -0.736 523 2HG ARG 65 1HG ARG 65 6.626 -6.791 0.740 524 1HD ARG 65 2HD ARG 65 8.378 -7.923 1.666 525 2HD ARG 65 1HD ARG 65 7.238 -9.264 1.552 526 HE ARG 65 HE ARG 65 9.152 -8.782 -0.626 527 1HH1 ARG 65 1HH1 ARG 65 7.874 -10.911 1.868 528 2HH1 ARG 65 2HH1 ARG 65 8.922 -12.237 1.425 529 1HH2 ARG 65 1HH2 ARG 65 10.494 -10.512 -1.191 530 2HH2 ARG 65 2HH2 ARG 65 10.419 -12.004 -0.304 531 H THR 66 H THR 66 2.221 -7.881 0.117 532 HA THR 66 HA THR 66 2.040 -5.290 1.409 533 HB THR 66 HB THR 66 0.145 -6.122 0.095 534 HG1 THR 66 1HG THR 66 -0.504 -6.036 2.870 535 1HG2 THR 66 1HG2 THR 66 0.021 -8.322 2.160 536 2HG2 THR 66 2HG2 THR 66 0.374 -8.506 0.441 537 3HG2 THR 66 3HG2 THR 66 -1.230 -7.989 0.961 538 H GLU 67 H GLU 67 3.892 -7.333 2.475 539 HA GLU 67 HA GLU 67 2.621 -8.368 4.874 540 1HB GLU 67 2HB GLU 67 5.553 -8.451 4.186 541 2HB GLU 67 1HB GLU 67 4.653 -9.538 5.239 542 1HG GLU 67 2HG GLU 67 3.361 -10.251 3.236 543 2HG GLU 67 1HG GLU 67 4.487 -9.328 2.255 544 H PHE 68 H PHE 68 4.444 -5.723 3.820 545 HA PHE 68 HA PHE 68 4.832 -4.822 6.591 546 1HB PHE 68 2HB PHE 68 6.740 -3.486 5.771 547 2HB PHE 68 1HB PHE 68 6.952 -5.217 5.510 548 HD1 PHE 68 1HD PHE 68 5.968 -2.089 3.752 549 HD2 PHE 68 2HD PHE 68 7.501 -6.043 3.428 550 HE1 PHE 68 1HE PHE 68 6.504 -1.684 1.387 551 HE2 PHE 68 2HE PHE 68 8.034 -5.643 1.063 552 HZ PHE 68 HZ PHE 68 7.537 -3.462 0.040 553 H LEU 69 H LEU 69 2.570 -4.519 4.616 554 HA LEU 69 HA LEU 69 2.480 -1.579 4.631 555 1HB LEU 69 2HB LEU 69 1.019 -3.440 2.762 556 2HB LEU 69 1HB LEU 69 0.947 -1.694 2.739 557 HG LEU 69 HG LEU 69 3.460 -3.277 2.201 558 1HD1 LEU 69 1HD1 LEU 69 1.533 -2.000 0.266 559 2HD1 LEU 69 2HD1 LEU 69 1.803 -3.730 0.479 560 3HD1 LEU 69 3HD1 LEU 69 3.094 -2.707 -0.152 561 1HD2 LEU 69 1HD2 LEU 69 3.907 -1.043 3.002 562 2HD2 LEU 69 2HD2 LEU 69 2.768 -0.366 1.839 563 3HD2 LEU 69 3HD2 LEU 69 4.251 -1.134 1.272 564 H LYS 70 H LYS 70 0.662 -0.601 5.306 565 HA LYS 70 HA LYS 70 -1.258 -2.287 6.776 566 1HB LYS 70 2HB LYS 70 0.397 -0.330 7.765 567 2HB LYS 70 1HB LYS 70 -1.074 0.577 7.449 568 1HG LYS 70 2HG LYS 70 -0.848 -1.896 9.144 569 2HG LYS 70 1HG LYS 70 -0.972 -0.243 9.746 570 1HD LYS 70 2HD LYS 70 -3.106 -0.799 7.897 571 2HD LYS 70 1HD LYS 70 -3.065 -2.022 9.167 572 1HE LYS 70 2HE LYS 70 -4.495 -0.269 9.909 573 2HE LYS 70 1HE LYS 70 -3.003 -0.163 10.839 574 1HZ LYS 70 1HZ LYS 70 -2.269 1.612 9.327 575 2HZ LYS 70 2HZ LYS 70 -3.696 2.013 10.149 576 3HZ LYS 70 3HZ LYS 70 -3.763 1.539 8.526 577 H LYS 71 H LYS 71 -3.374 -2.111 6.164 578 HA LYS 71 HA LYS 71 -4.221 -0.578 3.983 579 1HB LYS 71 2HB LYS 71 -5.490 -2.504 4.914 580 2HB LYS 71 1HB LYS 71 -5.904 -1.523 6.312 581 1HG LYS 71 2HG LYS 71 -6.823 0.114 4.463 582 2HG LYS 71 1HG LYS 71 -6.912 -1.377 3.525 583 1HD LYS 71 2HD LYS 71 -8.244 -2.411 5.305 584 2HD LYS 71 1HD LYS 71 -8.167 -0.909 6.228 585 1HE LYS 71 2HE LYS 71 -9.250 0.220 4.255 586 2HE LYS 71 1HE LYS 71 -9.518 -1.388 3.583 587 1HZ LYS 71 1HZ LYS 71 -11.480 -0.754 4.724 588 2HZ LYS 71 2HZ LYS 71 -10.616 -0.272 6.100 589 3HZ LYS 71 3HZ LYS 71 -10.713 -1.914 5.695 590 H ALA 72 H ALA 72 -4.568 1.547 3.793 591 HA ALA 72 HA ALA 72 -4.251 3.167 6.192 592 1HB ALA 72 1HB ALA 72 -4.353 4.019 3.304 593 2HB ALA 72 2HB ALA 72 -2.884 3.647 4.206 594 3HB ALA 72 3HB ALA 72 -3.886 5.019 4.679 595 H GLY 73 H GLY 73 -5.569 5.300 6.122 596 1HA GLY 73 2HA GLY 73 -7.626 6.365 6.097 597 2HA GLY 73 1HA GLY 73 -8.269 5.040 5.135 598 H SER 74 H SER 74 -9.080 3.206 6.166 599 HA SER 74 HA SER 74 -9.099 3.051 9.049 600 1HB SER 74 2HB SER 74 -11.688 3.440 7.517 601 2HB SER 74 1HB SER 74 -11.566 3.033 9.229 602 HG SER 74 HG SER 74 -10.042 5.177 8.701 Start of MODEL 2 1 1H MET 1 1HT MET 1 -12.621 -19.248 -7.133 2 2H MET 1 2HT MET 1 -11.371 -20.243 -6.578 3 3H MET 1 3HT MET 1 -11.708 -20.164 -8.237 4 HA MET 1 HA MET 1 -9.743 -18.892 -7.746 5 1HB MET 1 2HB MET 1 -12.133 -17.121 -8.317 6 2HB MET 1 1HB MET 1 -10.458 -16.707 -8.649 7 1HG MET 1 2HG MET 1 -11.998 -18.965 -9.908 8 2HG MET 1 1HG MET 1 -11.643 -17.411 -10.658 9 1HE MET 1 1HE MET 1 -9.379 -19.921 -12.646 10 2HE MET 1 2HE MET 1 -10.636 -18.688 -12.763 11 3HE MET 1 3HE MET 1 -10.985 -20.236 -11.991 12 H SER 2 H SER 2 -8.783 -18.515 -5.828 13 HA SER 2 HA SER 2 -10.081 -16.564 -4.046 14 1HB SER 2 2HB SER 2 -8.538 -19.010 -3.151 15 2HB SER 2 1HB SER 2 -9.339 -17.834 -2.108 16 HG SER 2 HG SER 2 -11.321 -18.471 -3.271 17 H ILE 3 H ILE 3 -8.862 -14.789 -4.236 18 HA ILE 3 HA ILE 3 -6.082 -15.046 -3.391 19 HB ILE 3 HB ILE 3 -5.418 -13.155 -4.912 20 1HG1 ILE 3 2HG1 ILE 3 -7.908 -13.918 -6.444 21 2HG1 ILE 3 1HG1 ILE 3 -7.745 -12.451 -5.487 22 1HG2 ILE 3 1HG2 ILE 3 -4.717 -15.444 -5.323 23 2HG2 ILE 3 2HG2 ILE 3 -4.999 -14.584 -6.837 24 3HG2 ILE 3 3HG2 ILE 3 -6.190 -15.742 -6.244 25 1HD1 ILE 3 1HD1 ILE 3 -5.912 -11.725 -6.921 26 2HD1 ILE 3 2HD1 ILE 3 -7.391 -12.004 -7.843 27 3HD1 ILE 3 3HD1 ILE 3 -6.088 -13.192 -7.885 28 H GLU 4 H GLU 4 -7.412 -14.511 -1.446 29 HA GLU 4 HA GLU 4 -8.336 -11.803 -1.214 30 1HB GLU 4 2HB GLU 4 -7.948 -13.988 0.821 31 2HB GLU 4 1HB GLU 4 -8.529 -12.382 1.231 32 1HG GLU 4 2HG GLU 4 -10.486 -12.652 -0.053 33 2HG GLU 4 1HG GLU 4 -9.864 -14.117 -0.807 34 H VAL 5 H VAL 5 -6.867 -10.319 -1.419 35 HA VAL 5 HA VAL 5 -4.274 -10.566 -0.113 36 HB VAL 5 HB VAL 5 -5.214 -8.161 -1.659 37 1HG1 VAL 5 1HG1 VAL 5 -2.496 -9.390 -1.224 38 2HG1 VAL 5 2HG1 VAL 5 -3.138 -7.965 -0.406 39 3HG1 VAL 5 3HG1 VAL 5 -2.831 -7.922 -2.142 40 1HG2 VAL 5 1HG2 VAL 5 -3.899 -10.573 -2.903 41 2HG2 VAL 5 2HG2 VAL 5 -4.474 -9.116 -3.721 42 3HG2 VAL 5 3HG2 VAL 5 -5.628 -10.239 -3.000 43 H ARG 6 H ARG 6 -3.771 -9.564 1.758 44 HA ARG 6 HA ARG 6 -5.547 -7.435 2.733 45 1HB ARG 6 2HB ARG 6 -4.508 -9.589 4.575 46 2HB ARG 6 1HB ARG 6 -5.710 -8.358 4.922 47 1HG ARG 6 2HG ARG 6 -7.202 -9.971 4.564 48 2HG ARG 6 1HG ARG 6 -6.855 -9.729 2.851 49 1HD ARG 6 2HD ARG 6 -5.236 -11.493 2.859 50 2HD ARG 6 1HD ARG 6 -5.344 -11.650 4.611 51 HE ARG 6 HE ARG 6 -7.894 -12.089 3.591 52 1HH1 ARG 6 1HH1 ARG 6 -4.735 -13.587 3.459 53 2HH1 ARG 6 2HH1 ARG 6 -5.356 -15.177 3.175 54 1HH2 ARG 6 1HH2 ARG 6 -8.719 -14.195 3.225 55 2HH2 ARG 6 2HH2 ARG 6 -7.619 -15.532 3.048 56 H ASP 7 H ASP 7 -4.497 -6.325 4.697 57 HA ASP 7 HA ASP 7 -1.740 -5.706 4.061 58 1HB ASP 7 2HB ASP 7 -1.959 -3.893 5.507 59 2HB ASP 7 1HB ASP 7 -3.612 -4.105 4.950 60 H CYS 8 H CYS 8 -0.580 -5.269 6.504 61 HA CYS 8 HA CYS 8 0.362 -7.874 7.116 62 1HB CYS 8 2HB CYS 8 1.609 -6.664 8.960 63 2HB CYS 8 1HB CYS 8 1.894 -6.069 7.329 64 HG CYS 8 HG CYS 8 0.432 -3.788 7.560 65 H ASN 9 H ASN 9 -2.109 -5.846 8.499 66 HA ASN 9 HA ASN 9 -2.310 -7.362 10.938 67 1HB ASN 9 2HB ASN 9 -3.959 -5.152 9.719 68 2HB ASN 9 1HB ASN 9 -4.365 -5.921 11.239 69 1HD2 ASN 9 1HD2 ASN 9 -2.072 -3.922 9.567 70 2HD2 ASN 9 2HD2 ASN 9 -1.302 -3.280 10.984 71 H GLY 10 H GLY 10 -4.325 -6.878 8.054 72 1HA GLY 10 2HA GLY 10 -5.084 -9.222 7.253 73 2HA GLY 10 1HA GLY 10 -5.853 -9.273 8.832 74 H ALA 11 H ALA 11 -5.666 -6.267 7.105 75 HA ALA 11 HA ALA 11 -8.557 -6.383 6.661 76 1HB ALA 11 1HB ALA 11 -8.439 -3.989 6.323 77 2HB ALA 11 2HB ALA 11 -6.679 -4.043 6.385 78 3HB ALA 11 3HB ALA 11 -7.624 -4.424 7.824 79 H LEU 12 H LEU 12 -9.373 -6.779 4.742 80 HA LEU 12 HA LEU 12 -7.805 -7.580 2.575 81 1HB LEU 12 2HB LEU 12 -10.715 -6.931 2.875 82 2HB LEU 12 1HB LEU 12 -10.047 -7.399 1.322 83 HG LEU 12 HG LEU 12 -9.655 -9.132 3.748 84 1HD1 LEU 12 1HD1 LEU 12 -12.065 -8.750 3.526 85 2HD1 LEU 12 2HD1 LEU 12 -11.636 -10.397 3.065 86 3HD1 LEU 12 3HD1 LEU 12 -11.982 -9.196 1.822 87 1HD2 LEU 12 1HD2 LEU 12 -9.423 -10.871 2.058 88 2HD2 LEU 12 2HD2 LEU 12 -8.284 -9.555 1.766 89 3HD2 LEU 12 3HD2 LEU 12 -9.743 -9.693 0.785 90 H LEU 13 H LEU 13 -7.297 -6.732 0.647 91 HA LEU 13 HA LEU 13 -7.609 -3.820 0.328 92 1HB LEU 13 2HB LEU 13 -5.499 -5.700 -0.741 93 2HB LEU 13 1HB LEU 13 -5.607 -3.997 -1.143 94 HG LEU 13 HG LEU 13 -5.175 -5.052 1.649 95 1HD1 LEU 13 1HD1 LEU 13 -3.271 -5.588 0.231 96 2HD1 LEU 13 2HD1 LEU 13 -2.862 -4.299 1.364 97 3HD1 LEU 13 3HD1 LEU 13 -3.200 -3.916 -0.325 98 1HD2 LEU 13 1HD2 LEU 13 -4.589 -2.729 2.146 99 2HD2 LEU 13 2HD2 LEU 13 -6.249 -2.867 1.566 100 3HD2 LEU 13 3HD2 LEU 13 -4.983 -2.276 0.488 101 H ALA 14 H ALA 14 -7.503 -3.177 -2.068 102 HA ALA 14 HA ALA 14 -8.478 -5.069 -3.982 103 1HB ALA 14 1HB ALA 14 -10.540 -4.642 -2.709 104 2HB ALA 14 2HB ALA 14 -10.654 -4.066 -4.372 105 3HB ALA 14 3HB ALA 14 -10.385 -2.921 -3.058 106 H ASP 15 H ASP 15 -9.267 -3.740 -6.012 107 HA ASP 15 HA ASP 15 -7.143 -2.107 -6.861 108 1HB ASP 15 2HB ASP 15 -8.443 -3.306 -8.497 109 2HB ASP 15 1HB ASP 15 -9.917 -2.477 -8.004 110 H GLY 16 H GLY 16 -6.694 -0.087 -6.410 111 1HA GLY 16 2HA GLY 16 -7.148 2.225 -6.377 112 2HA GLY 16 1HA GLY 16 -8.853 1.868 -6.142 113 H ASP 17 H ASP 17 -7.044 -0.056 -4.105 114 HA ASP 17 HA ASP 17 -8.050 1.390 -1.825 115 1HB ASP 17 2HB ASP 17 -7.701 -1.232 -2.281 116 2HB ASP 17 1HB ASP 17 -6.190 -0.894 -1.447 117 H ASN 18 H ASN 18 -6.452 1.482 0.162 118 HA ASN 18 HA ASN 18 -3.952 2.747 -0.782 119 1HB ASN 18 2HB ASN 18 -5.755 3.714 1.418 120 2HB ASN 18 1HB ASN 18 -4.146 4.318 1.157 121 1HD2 ASN 18 1HD2 ASN 18 -6.121 3.579 -1.585 122 2HD2 ASN 18 2HD2 ASN 18 -6.447 5.212 -2.046 123 H VAL 19 H VAL 19 -2.201 2.520 0.491 124 HA VAL 19 HA VAL 19 -2.396 1.065 3.008 125 HB VAL 19 HB VAL 19 -0.520 -0.438 2.432 126 1HG1 VAL 19 1HG1 VAL 19 -2.856 -0.750 0.552 127 2HG1 VAL 19 2HG1 VAL 19 -2.850 -1.214 2.254 128 3HG1 VAL 19 3HG1 VAL 19 -1.777 -2.030 1.114 129 1HG2 VAL 19 1HG2 VAL 19 -0.924 0.548 -0.387 130 2HG2 VAL 19 2HG2 VAL 19 0.150 -0.759 0.114 131 3HG2 VAL 19 3HG2 VAL 19 0.468 0.894 0.638 132 H SER 20 H SER 20 -0.153 1.027 4.072 133 HA SER 20 HA SER 20 1.632 3.131 3.211 134 1HB SER 20 2HB SER 20 0.095 3.319 5.801 135 2HB SER 20 1HB SER 20 1.486 4.320 5.416 136 HG SER 20 HG SER 20 -0.442 4.288 3.465 137 H LEU 21 H LEU 21 3.596 3.218 4.499 138 HA LEU 21 HA LEU 21 4.633 0.626 4.975 139 1HB LEU 21 2HB LEU 21 5.653 3.422 5.252 140 2HB LEU 21 1HB LEU 21 6.574 2.113 5.957 141 HG LEU 21 HG LEU 21 7.311 2.866 3.665 142 1HD1 LEU 21 1HD1 LEU 21 8.024 0.761 4.546 143 2HD1 LEU 21 2HD1 LEU 21 7.625 0.556 2.840 144 3HD1 LEU 21 3HD1 LEU 21 6.503 -0.000 4.083 145 1HD2 LEU 21 1HD2 LEU 21 4.808 1.433 2.783 146 2HD2 LEU 21 2HD2 LEU 21 6.075 2.070 1.734 147 3HD2 LEU 21 3HD2 LEU 21 5.078 3.172 2.683 148 H ILE 22 H ILE 22 4.932 -0.530 6.824 149 HA ILE 22 HA ILE 22 3.896 0.630 9.318 150 HB ILE 22 HB ILE 22 3.883 -1.620 10.219 151 1HG1 ILE 22 2HG1 ILE 22 5.043 -2.503 7.565 152 2HG1 ILE 22 1HG1 ILE 22 5.936 -2.425 9.080 153 1HG2 ILE 22 1HG2 ILE 22 1.975 -0.887 8.886 154 2HG2 ILE 22 2HG2 ILE 22 2.227 -2.627 8.756 155 3HG2 ILE 22 3HG2 ILE 22 2.725 -1.564 7.439 156 1HD1 ILE 22 1HD1 ILE 22 3.559 -4.187 8.526 157 2HD1 ILE 22 2HD1 ILE 22 4.467 -4.115 10.036 158 3HD1 ILE 22 3HD1 ILE 22 5.247 -4.697 8.566 159 H LYS 23 H LYS 23 6.796 0.121 7.764 160 HA LYS 23 HA LYS 23 8.315 0.892 10.076 161 1HB LYS 23 2HB LYS 23 10.012 -1.019 9.558 162 2HB LYS 23 1HB LYS 23 8.619 -1.366 10.571 163 1HG LYS 23 2HG LYS 23 7.679 -2.735 9.039 164 2HG LYS 23 1HG LYS 23 8.306 -1.820 7.670 165 1HD LYS 23 2HD LYS 23 9.388 -3.940 7.663 166 2HD LYS 23 1HD LYS 23 10.572 -2.750 8.194 167 1HE LYS 23 2HE LYS 23 8.977 -4.427 10.119 168 2HE LYS 23 1HE LYS 23 10.513 -4.963 9.446 169 1HZ LYS 23 1HZ LYS 23 11.452 -2.817 10.362 170 2HZ LYS 23 2HZ LYS 23 11.014 -3.993 11.501 171 3HZ LYS 23 3HZ LYS 23 10.004 -2.663 11.237 172 H ASP 24 H ASP 24 10.756 1.023 9.324 173 HA ASP 24 HA ASP 24 10.691 2.504 6.831 174 1HB ASP 24 2HB ASP 24 13.157 2.080 8.498 175 2HB ASP 24 1HB ASP 24 12.760 3.431 7.454 176 H LEU 25 H LEU 25 10.887 1.368 5.009 177 HA LEU 25 HA LEU 25 12.529 -1.065 5.026 178 1HB LEU 25 2HB LEU 25 10.235 -0.167 3.330 179 2HB LEU 25 1HB LEU 25 11.368 -1.338 2.697 180 HG LEU 25 HG LEU 25 9.447 -2.485 3.562 181 1HD1 LEU 25 1HD1 LEU 25 10.479 -3.971 5.197 182 2HD1 LEU 25 2HD1 LEU 25 11.786 -2.810 5.428 183 3HD1 LEU 25 3HD1 LEU 25 11.578 -3.602 3.866 184 1HD2 LEU 25 1HD2 LEU 25 8.865 -2.377 5.958 185 2HD2 LEU 25 2HD2 LEU 25 8.586 -0.868 5.095 186 3HD2 LEU 25 3HD2 LEU 25 9.997 -1.036 6.136 187 H LYS 26 H LYS 26 14.491 -0.836 4.336 188 HA LYS 26 HA LYS 26 15.082 1.111 2.237 189 1HB LYS 26 2HB LYS 26 16.503 1.177 4.222 190 2HB LYS 26 1HB LYS 26 16.892 -0.512 3.999 191 1HG LYS 26 2HG LYS 26 17.535 0.891 1.607 192 2HG LYS 26 1HG LYS 26 18.268 1.709 2.990 193 1HD LYS 26 2HD LYS 26 18.524 -1.225 2.328 194 2HD LYS 26 1HD LYS 26 19.768 0.004 2.080 195 1HE LYS 26 2HE LYS 26 19.960 0.377 4.437 196 2HE LYS 26 1HE LYS 26 18.561 -0.644 4.765 197 1HZ LYS 26 1HZ LYS 26 21.146 -1.574 3.629 198 2HZ LYS 26 2HZ LYS 26 19.801 -2.552 3.971 199 3HZ LYS 26 3HZ LYS 26 20.635 -1.785 5.235 200 H LEU 27 H LEU 27 15.653 0.513 0.265 201 HA LEU 27 HA LEU 27 15.380 -2.327 -0.389 202 1HB LEU 27 2HB LEU 27 14.961 0.156 -2.047 203 2HB LEU 27 1HB LEU 27 14.838 -1.472 -2.670 204 HG LEU 27 HG LEU 27 13.072 -0.245 -0.555 205 1HD1 LEU 27 1HD1 LEU 27 12.501 -1.038 -3.406 206 2HD1 LEU 27 2HD1 LEU 27 12.631 0.608 -2.789 207 3HD1 LEU 27 3HD1 LEU 27 11.319 -0.436 -2.244 208 1HD2 LEU 27 1HD2 LEU 27 12.980 -2.989 -1.808 209 2HD2 LEU 27 2HD2 LEU 27 11.775 -2.316 -0.711 210 3HD2 LEU 27 3HD2 LEU 27 13.414 -2.622 -0.139 211 H LYS 28 H LYS 28 16.667 -3.185 -2.116 212 HA LYS 28 HA LYS 28 19.425 -2.435 -1.869 213 1HB LYS 28 2HB LYS 28 18.805 -4.785 -1.981 214 2HB LYS 28 1HB LYS 28 18.056 -4.542 -3.553 215 1HG LYS 28 2HG LYS 28 20.250 -3.981 -4.497 216 2HG LYS 28 1HG LYS 28 20.986 -4.272 -2.920 217 1HD LYS 28 2HD LYS 28 20.318 -6.589 -2.989 218 2HD LYS 28 1HD LYS 28 19.430 -6.324 -4.491 219 1HE LYS 28 2HE LYS 28 21.503 -5.787 -5.642 220 2HE LYS 28 1HE LYS 28 22.407 -5.980 -4.141 221 1HZ LYS 28 1HZ LYS 28 20.857 -8.133 -5.481 222 2HZ LYS 28 2HZ LYS 28 21.811 -8.299 -4.090 223 3HZ LYS 28 3HZ LYS 28 22.541 -7.939 -5.579 224 H GLY 29 H GLY 29 20.799 -1.729 -3.518 225 1HA GLY 29 2HA GLY 29 20.852 -1.307 -6.030 226 2HA GLY 29 1HA GLY 29 19.416 -0.341 -5.713 227 H SER 30 H SER 30 19.816 1.747 -5.625 228 HA SER 30 HA SER 30 22.474 2.729 -5.017 229 1HB SER 30 2HB SER 30 21.289 4.969 -5.489 230 2HB SER 30 1HB SER 30 21.438 3.836 -6.832 231 HG SER 30 HG SER 30 19.225 4.884 -5.848 232 H SER 31 H SER 31 20.762 1.437 -2.966 233 HA SER 31 HA SER 31 20.132 1.625 -0.810 234 1HB SER 31 2HB SER 31 21.738 4.193 -0.874 235 2HB SER 31 1HB SER 31 21.159 3.385 0.584 236 HG SER 31 HG SER 31 23.291 2.774 -1.056 237 H THR 32 H THR 32 17.983 1.834 -1.603 238 HA THR 32 HA THR 32 16.864 4.543 -1.507 239 HB THR 32 HB THR 32 15.577 1.963 -2.435 240 HG1 THR 32 1HG THR 32 16.956 4.040 -3.806 241 1HG2 THR 32 1HG2 THR 32 13.950 3.648 -1.711 242 2HG2 THR 32 2HG2 THR 32 13.902 3.427 -3.459 243 3HG2 THR 32 3HG2 THR 32 14.707 4.839 -2.775 244 H VAL 33 H VAL 33 16.372 5.082 0.535 245 HA VAL 33 HA VAL 33 15.360 3.002 2.350 246 HB VAL 33 HB VAL 33 16.244 5.815 3.032 247 1HG1 VAL 33 1HG1 VAL 33 16.390 4.958 5.320 248 2HG1 VAL 33 2HG1 VAL 33 15.796 3.390 4.772 249 3HG1 VAL 33 3HG1 VAL 33 14.754 4.812 4.678 250 1HG2 VAL 33 1HG2 VAL 33 17.824 3.251 3.224 251 2HG2 VAL 33 2HG2 VAL 33 18.348 4.840 3.781 252 3HG2 VAL 33 3HG2 VAL 33 18.098 4.549 2.060 253 H LEU 34 H LEU 34 13.198 2.871 2.460 254 HA LEU 34 HA LEU 34 11.605 5.325 2.275 255 1HB LEU 34 2HB LEU 34 10.817 2.418 2.202 256 2HB LEU 34 1HB LEU 34 9.655 3.726 2.294 257 HG LEU 34 HG LEU 34 10.934 4.553 0.131 258 1HD1 LEU 34 1HD1 LEU 34 11.602 2.677 -1.284 259 2HD1 LEU 34 2HD1 LEU 34 11.356 1.570 0.067 260 3HD1 LEU 34 3HD1 LEU 34 12.618 2.798 0.153 261 1HD2 LEU 34 1HD2 LEU 34 9.225 3.450 -1.192 262 2HD2 LEU 34 2HD2 LEU 34 8.560 4.047 0.331 263 3HD2 LEU 34 3HD2 LEU 34 8.907 2.328 0.132 264 H LYS 35 H LYS 35 10.154 5.878 3.931 265 HA LYS 35 HA LYS 35 11.046 4.842 6.542 266 1HB LYS 35 2HB LYS 35 10.106 7.538 5.635 267 2HB LYS 35 1HB LYS 35 9.986 7.088 7.327 268 1HG LYS 35 2HG LYS 35 12.558 6.923 5.787 269 2HG LYS 35 1HG LYS 35 12.049 8.379 6.649 270 1HD LYS 35 2HD LYS 35 12.448 5.644 7.863 271 2HD LYS 35 1HD LYS 35 13.571 6.999 7.991 272 1HE LYS 35 2HE LYS 35 11.965 8.283 9.236 273 2HE LYS 35 1HE LYS 35 10.716 7.065 8.967 274 1HZ LYS 35 1HZ LYS 35 11.967 5.507 10.283 275 2HZ LYS 35 2HZ LYS 35 11.688 6.918 11.186 276 3HZ LYS 35 3HZ LYS 35 13.217 6.632 10.509 277 H ARG 36 H ARG 36 9.529 4.797 8.265 278 HA ARG 36 HA ARG 36 7.110 3.495 7.715 279 1HB ARG 36 2HB ARG 36 8.415 3.407 9.853 280 2HB ARG 36 1HB ARG 36 7.854 5.032 10.210 281 1HG ARG 36 2HG ARG 36 5.580 4.283 10.344 282 2HG ARG 36 1HG ARG 36 6.044 2.661 9.815 283 1HD ARG 36 2HD ARG 36 7.452 2.438 11.811 284 2HD ARG 36 1HD ARG 36 6.930 4.035 12.347 285 HE ARG 36 HE ARG 36 4.607 2.616 11.978 286 1HH1 ARG 36 1HH1 ARG 36 7.514 2.245 13.884 287 2HH1 ARG 36 2HH1 ARG 36 6.732 1.352 15.154 288 1HH2 ARG 36 1HH2 ARG 36 3.554 1.446 13.660 289 2HH2 ARG 36 2HH2 ARG 36 4.480 0.906 15.029 290 H GLY 37 H GLY 37 5.020 4.198 7.536 291 1HA GLY 37 2HA GLY 37 3.262 5.754 7.796 292 2HA GLY 37 1HA GLY 37 4.451 7.028 8.008 293 H THR 38 H THR 38 5.724 5.577 5.480 294 HA THR 38 HA THR 38 4.910 7.427 3.554 295 HB THR 38 HB THR 38 6.024 4.649 3.063 296 HG1 THR 38 1HG THR 38 7.544 5.700 4.248 297 1HG2 THR 38 1HG2 THR 38 5.073 5.644 1.042 298 2HG2 THR 38 2HG2 THR 38 6.833 5.596 0.942 299 3HG2 THR 38 3HG2 THR 38 6.010 7.114 1.308 300 H MET 39 H MET 39 3.084 7.619 2.445 301 HA MET 39 HA MET 39 1.151 5.448 2.611 302 1HB MET 39 2HB MET 39 0.214 7.513 3.260 303 2HB MET 39 1HB MET 39 0.914 8.357 1.884 304 1HG MET 39 2HG MET 39 -0.619 7.417 0.383 305 2HG MET 39 1HG MET 39 -1.118 6.181 1.536 306 1HE MET 39 1HE MET 39 -2.735 6.522 3.479 307 2HE MET 39 2HE MET 39 -3.267 8.095 4.073 308 3HE MET 39 3HE MET 39 -1.567 7.638 4.190 309 H ILE 40 H ILE 40 1.062 4.029 1.080 310 HA ILE 40 HA ILE 40 1.547 4.877 -1.701 311 HB ILE 40 HB ILE 40 1.342 2.054 -0.621 312 1HG1 ILE 40 2HG1 ILE 40 3.769 3.665 -1.448 313 2HG1 ILE 40 1HG1 ILE 40 3.360 3.187 0.196 314 1HG2 ILE 40 1HG2 ILE 40 2.162 3.080 -3.337 315 2HG2 ILE 40 2HG2 ILE 40 0.653 2.254 -2.950 316 3HG2 ILE 40 3HG2 ILE 40 2.187 1.393 -2.821 317 1HD1 ILE 40 1HD1 ILE 40 5.102 1.774 -0.721 318 2HD1 ILE 40 2HD1 ILE 40 4.051 1.327 -2.067 319 3HD1 ILE 40 3HD1 ILE 40 3.634 0.841 -0.422 320 H ARG 41 H ARG 41 -0.363 5.770 -2.286 321 HA ARG 41 HA ARG 41 -2.801 4.260 -1.678 322 1HB ARG 41 2HB ARG 41 -3.911 6.534 -2.241 323 2HB ARG 41 1HB ARG 41 -3.113 6.323 -0.693 324 1HG ARG 41 2HG ARG 41 -2.405 8.412 -1.363 325 2HG ARG 41 1HG ARG 41 -1.062 7.376 -1.839 326 1HD ARG 41 2HD ARG 41 -1.474 8.859 -3.652 327 2HD ARG 41 1HD ARG 41 -2.095 7.281 -4.135 328 HE ARG 41 HE ARG 41 -3.788 9.496 -3.164 329 1HH1 ARG 41 1HH1 ARG 41 -3.263 6.710 -5.224 330 2HH1 ARG 41 2HH1 ARG 41 -4.819 6.826 -5.995 331 1HH2 ARG 41 1HH2 ARG 41 -5.830 9.660 -4.182 332 2HH2 ARG 41 2HH2 ARG 41 -6.270 8.514 -5.419 333 H GLY 42 H GLY 42 -4.175 3.614 -3.236 334 1HA GLY 42 2HA GLY 42 -5.033 3.517 -5.440 335 2HA GLY 42 1HA GLY 42 -3.601 4.365 -6.009 336 H ILE 43 H ILE 43 -4.032 1.452 -4.028 337 HA ILE 43 HA ILE 43 -2.075 0.096 -5.716 338 HB ILE 43 HB ILE 43 -1.869 -1.552 -3.983 339 1HG1 ILE 43 2HG1 ILE 43 -3.282 -0.914 -1.781 340 2HG1 ILE 43 1HG1 ILE 43 -4.429 -0.394 -3.009 341 1HG2 ILE 43 1HG2 ILE 43 -2.042 1.161 -2.680 342 2HG2 ILE 43 2HG2 ILE 43 -0.698 0.596 -3.678 343 3HG2 ILE 43 3HG2 ILE 43 -1.061 -0.209 -2.151 344 1HD1 ILE 43 1HD1 ILE 43 -4.386 -2.642 -3.982 345 2HD1 ILE 43 2HD1 ILE 43 -4.894 -2.655 -2.294 346 3HD1 ILE 43 3HD1 ILE 43 -3.259 -3.153 -2.725 347 H ARG 44 H ARG 44 -2.508 -2.148 -6.351 348 HA ARG 44 HA ARG 44 -5.344 -2.814 -6.576 349 1HB ARG 44 2HB ARG 44 -4.924 -3.493 -8.982 350 2HB ARG 44 1HB ARG 44 -4.976 -1.764 -8.670 351 1HG ARG 44 2HG ARG 44 -2.548 -1.666 -8.709 352 2HG ARG 44 1HG ARG 44 -2.473 -3.409 -8.986 353 1HD ARG 44 2HD ARG 44 -3.682 -3.126 -11.095 354 2HD ARG 44 1HD ARG 44 -3.767 -1.387 -10.817 355 HE ARG 44 HE ARG 44 -1.102 -1.907 -10.715 356 1HH1 ARG 44 1HH1 ARG 44 -3.627 -2.562 -13.065 357 2HH1 ARG 44 2HH1 ARG 44 -2.538 -2.573 -14.417 358 1HH2 ARG 44 1HH2 ARG 44 0.330 -1.919 -12.474 359 2HH2 ARG 44 2HH2 ARG 44 -0.275 -2.195 -14.088 360 H LEU 45 H LEU 45 -5.666 -5.085 -7.258 361 HA LEU 45 HA LEU 45 -3.837 -6.706 -5.702 362 1HB LEU 45 2HB LEU 45 -6.420 -7.486 -7.057 363 2HB LEU 45 1HB LEU 45 -5.536 -8.443 -5.884 364 HG LEU 45 HG LEU 45 -7.007 -5.864 -5.391 365 1HD1 LEU 45 1HD1 LEU 45 -8.330 -7.246 -3.859 366 2HD1 LEU 45 2HD1 LEU 45 -7.413 -8.665 -4.368 367 3HD1 LEU 45 3HD1 LEU 45 -8.434 -7.810 -5.527 368 1HD2 LEU 45 1HD2 LEU 45 -4.929 -5.869 -4.112 369 2HD2 LEU 45 2HD2 LEU 45 -5.337 -7.455 -3.455 370 3HD2 LEU 45 3HD2 LEU 45 -6.337 -6.053 -3.065 371 H THR 46 H THR 46 -2.565 -8.309 -6.457 372 HA THR 46 HA THR 46 -2.241 -8.496 -9.361 373 HB THR 46 HB THR 46 -0.080 -9.557 -8.863 374 HG1 THR 46 1HG THR 46 -0.513 -9.013 -6.106 375 1HG2 THR 46 1HG2 THR 46 -0.497 -7.012 -7.291 376 2HG2 THR 46 2HG2 THR 46 -0.166 -7.114 -9.020 377 3HG2 THR 46 3HG2 THR 46 1.053 -7.634 -7.857 378 H ASP 47 H ASP 47 -0.949 -11.063 -9.320 379 HA ASP 47 HA ASP 47 -3.256 -12.800 -8.936 380 1HB ASP 47 2HB ASP 47 -0.538 -13.336 -10.154 381 2HB ASP 47 1HB ASP 47 -1.814 -14.542 -10.011 382 H SER 48 H SER 48 -0.818 -11.645 -7.107 383 HA SER 48 HA SER 48 -0.494 -14.050 -5.488 384 1HB SER 48 2HB SER 48 0.825 -11.336 -5.454 385 2HB SER 48 1HB SER 48 1.119 -12.557 -4.232 386 HG SER 48 HG SER 48 2.705 -12.808 -5.724 387 H GLU 49 H GLU 49 -1.105 -14.093 -3.316 388 HA GLU 49 HA GLU 49 -3.213 -12.200 -2.573 389 1HB GLU 49 2HB GLU 49 -2.302 -14.646 -1.054 390 2HB GLU 49 1HB GLU 49 -3.816 -13.774 -0.869 391 1HG GLU 49 2HG GLU 49 -4.462 -14.472 -3.132 392 2HG GLU 49 1HG GLU 49 -2.970 -15.404 -3.244 393 H ASP 50 H ASP 50 0.043 -12.798 -2.123 394 HA ASP 50 HA ASP 50 0.154 -11.404 0.458 395 1HB ASP 50 2HB ASP 50 2.080 -13.287 -0.908 396 2HB ASP 50 1HB ASP 50 2.514 -12.353 0.519 397 H GLU 51 H GLU 51 0.418 -10.796 -2.759 398 HA GLU 51 HA GLU 51 2.272 -8.566 -2.292 399 1HB GLU 51 2HB GLU 51 2.220 -10.409 -4.668 400 2HB GLU 51 1HB GLU 51 2.928 -8.814 -4.744 401 1HG GLU 51 2HG GLU 51 4.804 -9.949 -4.265 402 2HG GLU 51 1HG GLU 51 4.231 -9.749 -2.612 403 H ILE 52 H ILE 52 1.825 -6.679 -3.337 404 HA ILE 52 HA ILE 52 -0.537 -6.570 -5.081 405 HB ILE 52 HB ILE 52 -1.166 -4.390 -4.086 406 1HG1 ILE 52 2HG1 ILE 52 0.550 -5.080 -1.716 407 2HG1 ILE 52 1HG1 ILE 52 1.188 -4.122 -3.049 408 1HG2 ILE 52 1HG2 ILE 52 -2.416 -6.330 -3.436 409 2HG2 ILE 52 2HG2 ILE 52 -2.198 -5.290 -2.028 410 3HG2 ILE 52 3HG2 ILE 52 -1.217 -6.744 -2.212 411 1HD1 ILE 52 1HD1 ILE 52 -0.567 -2.474 -2.711 412 2HD1 ILE 52 2HD1 ILE 52 0.394 -2.709 -1.249 413 3HD1 ILE 52 3HD1 ILE 52 -1.211 -3.431 -1.375 414 H GLU 53 H GLU 53 -0.594 -4.314 -6.130 415 HA GLU 53 HA GLU 53 2.106 -3.207 -6.450 416 1HB GLU 53 2HB GLU 53 1.364 -4.589 -8.411 417 2HB GLU 53 1HB GLU 53 0.041 -3.460 -8.625 418 1HG GLU 53 2HG GLU 53 2.385 -1.919 -8.465 419 2HG GLU 53 1HG GLU 53 2.732 -3.266 -9.547 420 H GLY 54 H GLY 54 2.179 -0.983 -6.344 421 1HA GLY 54 2HA GLY 54 -0.405 0.422 -6.286 422 2HA GLY 54 1HA GLY 54 0.652 0.541 -4.887 423 H ARG 55 H ARG 55 0.160 2.889 -5.739 424 HA ARG 55 HA ARG 55 2.535 3.606 -7.292 425 1HB ARG 55 2HB ARG 55 1.408 5.215 -8.578 426 2HB ARG 55 1HB ARG 55 0.378 3.796 -8.621 427 1HG ARG 55 2HG ARG 55 -1.027 4.823 -6.859 428 2HG ARG 55 1HG ARG 55 -0.034 6.279 -6.972 429 1HD ARG 55 2HD ARG 55 -0.580 6.196 -9.487 430 2HD ARG 55 1HD ARG 55 -1.869 5.086 -9.026 431 HE ARG 55 HE ARG 55 -1.667 7.822 -7.940 432 1HH1 ARG 55 1HH1 ARG 55 -3.548 5.171 -9.239 433 2HH1 ARG 55 2HH1 ARG 55 -5.027 6.082 -9.295 434 1HH2 ARG 55 1HH2 ARG 55 -3.615 9.030 -8.014 435 2HH2 ARG 55 2HH2 ARG 55 -5.069 8.290 -8.608 436 H THR 56 H THR 56 3.708 5.240 -6.527 437 HA THR 56 HA THR 56 2.843 6.425 -3.984 438 HB THR 56 HB THR 56 5.178 6.828 -3.497 439 HG1 THR 56 1HG THR 56 5.711 5.781 -6.099 440 1HG2 THR 56 1HG2 THR 56 4.431 4.554 -3.022 441 2HG2 THR 56 2HG2 THR 56 6.118 4.556 -3.544 442 3HG2 THR 56 3HG2 THR 56 4.851 4.064 -4.665 443 H ASP 57 H ASP 57 4.314 8.655 -3.821 444 HA ASP 57 HA ASP 57 3.188 10.448 -5.714 445 1HB ASP 57 2HB ASP 57 5.373 10.846 -3.661 446 2HB ASP 57 1HB ASP 57 4.647 12.145 -4.603 447 H LYS 58 H LYS 58 6.080 8.592 -5.580 448 HA LYS 58 HA LYS 58 7.222 10.098 -7.838 449 1HB LYS 58 2HB LYS 58 8.566 8.137 -5.968 450 2HB LYS 58 1HB LYS 58 9.352 8.986 -7.287 451 1HG LYS 58 2HG LYS 58 8.899 11.121 -6.159 452 2HG LYS 58 1HG LYS 58 8.164 10.236 -4.819 453 1HD LYS 58 2HD LYS 58 10.301 9.046 -4.479 454 2HD LYS 58 1HD LYS 58 11.022 10.019 -5.762 455 1HE LYS 58 2HE LYS 58 10.545 12.051 -4.464 456 2HE LYS 58 1HE LYS 58 9.870 11.054 -3.174 457 1HZ LYS 58 1HZ LYS 58 12.059 9.963 -2.989 458 2HZ LYS 58 2HZ LYS 58 12.119 11.621 -2.638 459 3HZ LYS 58 3HZ LYS 58 12.682 11.052 -4.134 460 H ILE 59 H ILE 59 7.513 6.763 -6.702 461 HA ILE 59 HA ILE 59 7.554 5.753 -9.411 462 HB ILE 59 HB ILE 59 7.468 4.092 -6.893 463 1HG1 ILE 59 2HG1 ILE 59 9.257 5.716 -6.578 464 2HG1 ILE 59 1HG1 ILE 59 9.947 4.130 -6.906 465 1HG2 ILE 59 1HG2 ILE 59 7.166 2.874 -8.957 466 2HG2 ILE 59 2HG2 ILE 59 8.742 2.493 -8.263 467 3HG2 ILE 59 3HG2 ILE 59 8.626 3.598 -9.632 468 1HD1 ILE 59 1HD1 ILE 59 9.651 6.363 -8.894 469 2HD1 ILE 59 2HD1 ILE 59 10.372 4.784 -9.204 470 3HD1 ILE 59 3HD1 ILE 59 11.139 5.897 -8.071 471 H LYS 60 H LYS 60 5.694 5.345 -10.477 472 HA LYS 60 HA LYS 60 3.397 4.427 -8.882 473 1HB LYS 60 2HB LYS 60 1.954 5.115 -10.701 474 2HB LYS 60 1HB LYS 60 2.980 6.459 -10.226 475 1HG LYS 60 2HG LYS 60 4.353 6.184 -12.164 476 2HG LYS 60 1HG LYS 60 3.534 4.678 -12.590 477 1HD LYS 60 2HD LYS 60 2.290 7.429 -12.520 478 2HD LYS 60 1HD LYS 60 2.717 6.513 -13.967 479 1HE LYS 60 2HE LYS 60 1.102 4.803 -13.409 480 2HE LYS 60 1HE LYS 60 0.738 5.602 -11.881 481 1HZ LYS 60 1HZ LYS 60 0.112 6.556 -14.617 482 2HZ LYS 60 2HZ LYS 60 0.010 7.554 -13.252 483 3HZ LYS 60 3HZ LYS 60 -0.972 6.178 -13.368 484 H GLY 61 H GLY 61 2.561 2.445 -9.199 485 1HA GLY 61 2HA GLY 61 2.138 0.422 -10.236 486 2HA GLY 61 1HA GLY 61 3.079 0.967 -11.617 487 H LEU 62 H LEU 62 3.935 0.548 -8.175 488 HA LEU 62 HA LEU 62 6.040 -1.290 -9.085 489 1HB LEU 62 2HB LEU 62 7.446 -0.629 -7.349 490 2HB LEU 62 1HB LEU 62 6.746 0.867 -7.915 491 HG LEU 62 HG LEU 62 5.734 -0.594 -5.484 492 1HD1 LEU 62 1HD1 LEU 62 7.750 1.645 -5.650 493 2HD1 LEU 62 2HD1 LEU 62 8.079 -0.016 -5.159 494 3HD1 LEU 62 3HD1 LEU 62 7.040 1.006 -4.167 495 1HD2 LEU 62 1HD2 LEU 62 4.163 1.001 -6.444 496 2HD2 LEU 62 2HD2 LEU 62 5.405 2.252 -6.436 497 3HD2 LEU 62 3HD2 LEU 62 4.796 1.604 -4.912 498 H VAL 63 H VAL 63 6.154 -3.286 -8.248 499 HA VAL 63 HA VAL 63 3.791 -4.173 -6.781 500 HB VAL 63 HB VAL 63 5.963 -5.860 -8.042 501 1HG1 VAL 63 1HG1 VAL 63 3.176 -6.579 -7.138 502 2HG1 VAL 63 2HG1 VAL 63 4.671 -7.004 -6.305 503 3HG1 VAL 63 3HG1 VAL 63 4.334 -7.669 -7.902 504 1HG2 VAL 63 1HG2 VAL 63 4.353 -6.215 -9.884 505 2HG2 VAL 63 2HG2 VAL 63 4.899 -4.541 -9.764 506 3HG2 VAL 63 3HG2 VAL 63 3.303 -4.993 -9.165 507 H LEU 64 H LEU 64 3.845 -4.664 -4.703 508 HA LEU 64 HA LEU 64 6.421 -5.292 -3.450 509 1HB LEU 64 2HB LEU 64 4.561 -3.055 -2.698 510 2HB LEU 64 1HB LEU 64 5.585 -3.815 -1.492 511 HG LEU 64 HG LEU 64 6.684 -2.622 -4.030 512 1HD1 LEU 64 1HD1 LEU 64 6.432 -1.348 -1.308 513 2HD1 LEU 64 2HD1 LEU 64 5.563 -0.866 -2.768 514 3HD1 LEU 64 3HD1 LEU 64 7.315 -0.683 -2.684 515 1HD2 LEU 64 1HD2 LEU 64 8.780 -2.653 -2.722 516 2HD2 LEU 64 2HD2 LEU 64 8.107 -4.264 -2.974 517 3HD2 LEU 64 3HD2 LEU 64 7.921 -3.469 -1.412 518 H ARG 65 H ARG 65 6.337 -6.657 -1.731 519 HA ARG 65 HA ARG 65 4.067 -8.244 -1.254 520 1HB ARG 65 2HB ARG 65 5.385 -8.722 0.974 521 2HB ARG 65 1HB ARG 65 5.981 -9.328 -0.562 522 1HG ARG 65 2HG ARG 65 7.684 -7.773 -0.645 523 2HG ARG 65 1HG ARG 65 6.902 -6.690 0.495 524 1HD ARG 65 2HD ARG 65 8.903 -7.946 1.373 525 2HD ARG 65 1HD ARG 65 7.431 -8.089 2.328 526 HE ARG 65 HE ARG 65 7.218 -10.284 0.902 527 1HH1 ARG 65 1HH1 ARG 65 10.145 -8.918 2.263 528 2HH1 ARG 65 2HH1 ARG 65 10.855 -10.459 2.636 529 1HH2 ARG 65 1HH2 ARG 65 8.136 -12.324 1.398 530 2HH2 ARG 65 2HH2 ARG 65 9.699 -12.400 2.158 531 H THR 66 H THR 66 2.375 -7.995 0.053 532 HA THR 66 HA THR 66 2.034 -5.412 1.317 533 HB THR 66 HB THR 66 0.227 -6.382 -0.042 534 HG1 THR 66 1HG THR 66 -1.124 -6.504 2.296 535 1HG2 THR 66 1HG2 THR 66 0.610 -8.742 0.434 536 2HG2 THR 66 2HG2 THR 66 -1.061 -8.296 0.778 537 3HG2 THR 66 3HG2 THR 66 0.086 -8.501 2.101 538 H GLU 67 H GLU 67 3.952 -7.398 2.406 539 HA GLU 67 HA GLU 67 2.673 -8.396 4.830 540 1HB GLU 67 2HB GLU 67 5.560 -8.690 4.010 541 2HB GLU 67 1HB GLU 67 4.654 -9.681 5.149 542 1HG GLU 67 2HG GLU 67 3.171 -10.285 3.203 543 2HG GLU 67 1HG GLU 67 4.392 -9.567 2.171 544 H PHE 68 H PHE 68 4.429 -5.763 3.741 545 HA PHE 68 HA PHE 68 4.939 -4.925 6.518 546 1HB PHE 68 2HB PHE 68 6.858 -3.618 5.770 547 2HB PHE 68 1HB PHE 68 7.048 -5.311 5.313 548 HD1 PHE 68 1HD PHE 68 7.035 -5.991 3.006 549 HD2 PHE 68 2HD PHE 68 6.515 -1.911 4.084 550 HE1 PHE 68 1HE PHE 68 7.493 -5.320 0.684 551 HE2 PHE 68 2HE PHE 68 6.963 -1.235 1.763 552 HZ PHE 68 HZ PHE 68 7.456 -2.941 0.060 553 H LEU 69 H LEU 69 2.662 -4.592 4.518 554 HA LEU 69 HA LEU 69 2.599 -1.655 4.560 555 1HB LEU 69 2HB LEU 69 1.113 -3.516 2.710 556 2HB LEU 69 1HB LEU 69 1.008 -1.770 2.700 557 HG LEU 69 HG LEU 69 3.531 -3.319 2.111 558 1HD1 LEU 69 1HD1 LEU 69 1.596 -1.997 0.218 559 2HD1 LEU 69 2HD1 LEU 69 1.836 -3.733 0.411 560 3HD1 LEU 69 3HD1 LEU 69 3.140 -2.728 -0.221 561 1HD2 LEU 69 1HD2 LEU 69 3.973 -1.094 2.958 562 2HD2 LEU 69 2HD2 LEU 69 2.828 -0.400 1.811 563 3HD2 LEU 69 3HD2 LEU 69 4.312 -1.155 1.228 564 H LYS 70 H LYS 70 0.778 -0.655 5.208 565 HA LYS 70 HA LYS 70 -1.123 -2.293 6.749 566 1HB LYS 70 2HB LYS 70 0.614 -0.404 7.712 567 2HB LYS 70 1HB LYS 70 -0.826 0.558 7.435 568 1HG LYS 70 2HG LYS 70 -0.567 -1.876 9.166 569 2HG LYS 70 1HG LYS 70 -0.780 -0.208 9.701 570 1HD LYS 70 2HD LYS 70 -2.933 -0.427 8.144 571 2HD LYS 70 1HD LYS 70 -2.744 -2.121 8.586 572 1HE LYS 70 2HE LYS 70 -4.182 -1.150 10.203 573 2HE LYS 70 1HE LYS 70 -2.615 -1.401 10.970 574 1HZ LYS 70 1HZ LYS 70 -2.139 0.991 10.441 575 2HZ LYS 70 2HZ LYS 70 -3.347 0.733 11.600 576 3HZ LYS 70 3HZ LYS 70 -3.774 1.157 10.015 577 H LYS 71 H LYS 71 -3.164 -2.183 6.002 578 HA LYS 71 HA LYS 71 -3.952 -0.560 3.862 579 1HB LYS 71 2HB LYS 71 -5.128 -2.641 4.555 580 2HB LYS 71 1HB LYS 71 -5.731 -1.793 5.974 581 1HG LYS 71 2HG LYS 71 -6.732 -0.122 4.313 582 2HG LYS 71 1HG LYS 71 -6.425 -1.359 3.094 583 1HD LYS 71 2HD LYS 71 -7.775 -2.952 4.345 584 2HD LYS 71 1HD LYS 71 -8.057 -1.746 5.602 585 1HE LYS 71 2HE LYS 71 -9.987 -1.801 4.212 586 2HE LYS 71 1HE LYS 71 -9.122 -0.304 3.866 587 1HZ LYS 71 1HZ LYS 71 -9.928 -1.471 1.865 588 2HZ LYS 71 2HZ LYS 71 -8.902 -2.771 2.230 589 3HZ LYS 71 3HZ LYS 71 -8.248 -1.247 1.867 590 H ALA 72 H ALA 72 -4.288 1.558 3.819 591 HA ALA 72 HA ALA 72 -4.162 3.140 6.165 592 1HB ALA 72 1HB ALA 72 -3.383 3.988 4.026 593 2HB ALA 72 2HB ALA 72 -4.657 5.029 4.667 594 3HB ALA 72 3HB ALA 72 -5.020 3.891 3.368 595 H GLY 73 H GLY 73 -6.809 2.267 3.988 596 1HA GLY 73 2HA GLY 73 -8.832 1.726 5.583 597 2HA GLY 73 1HA GLY 73 -8.751 3.471 5.804 598 H SER 74 H SER 74 -10.376 4.329 4.721 599 HA SER 74 HA SER 74 -10.455 4.054 1.856 600 1HB SER 74 2HB SER 74 -12.888 3.288 3.500 601 2HB SER 74 1HB SER 74 -12.826 3.411 1.741 602 HG SER 74 HG SER 74 -10.853 1.829 2.431 Start of MODEL 3 1 1H MET 1 1HT MET 1 -14.386 -18.238 -5.118 2 2H MET 1 2HT MET 1 -13.184 -19.307 -4.595 3 3H MET 1 3HT MET 1 -13.820 -19.451 -6.160 4 HA MET 1 HA MET 1 -11.672 -18.446 -6.282 5 1HB MET 1 2HB MET 1 -13.368 -17.661 -7.867 6 2HB MET 1 1HB MET 1 -13.915 -16.457 -6.710 7 1HG MET 1 2HG MET 1 -12.525 -15.470 -8.445 8 2HG MET 1 1HG MET 1 -11.786 -15.311 -6.852 9 1HE MET 1 1HE MET 1 -8.712 -15.685 -9.274 10 2HE MET 1 2HE MET 1 -9.500 -14.665 -8.070 11 3HE MET 1 3HE MET 1 -10.241 -14.894 -9.654 12 H SER 2 H SER 2 -10.470 -18.190 -4.435 13 HA SER 2 HA SER 2 -10.826 -15.623 -3.051 14 1HB SER 2 2HB SER 2 -10.328 -18.274 -1.681 15 2HB SER 2 1HB SER 2 -10.402 -16.702 -0.886 16 HG SER 2 HG SER 2 -12.509 -16.733 -0.991 17 H ILE 3 H ILE 3 -9.054 -14.709 -4.036 18 HA ILE 3 HA ILE 3 -6.475 -15.782 -3.081 19 HB ILE 3 HB ILE 3 -5.400 -14.287 -4.793 20 1HG1 ILE 3 2HG1 ILE 3 -8.223 -14.087 -5.872 21 2HG1 ILE 3 1HG1 ILE 3 -7.302 -12.768 -5.164 22 1HG2 ILE 3 1HG2 ILE 3 -5.579 -16.660 -5.160 23 2HG2 ILE 3 2HG2 ILE 3 -5.838 -15.806 -6.682 24 3HG2 ILE 3 3HG2 ILE 3 -7.213 -16.474 -5.799 25 1HD1 ILE 3 1HD1 ILE 3 -6.643 -14.243 -7.702 26 2HD1 ILE 3 2HD1 ILE 3 -5.659 -12.970 -6.980 27 3HD1 ILE 3 3HD1 ILE 3 -7.281 -12.604 -7.569 28 H GLU 4 H GLU 4 -7.780 -14.724 -1.197 29 HA GLU 4 HA GLU 4 -8.167 -11.998 -0.955 30 1HB GLU 4 2HB GLU 4 -7.642 -14.126 1.098 31 2HB GLU 4 1HB GLU 4 -7.961 -12.458 1.544 32 1HG GLU 4 2HG GLU 4 -10.128 -12.534 0.552 33 2HG GLU 4 1HG GLU 4 -9.808 -14.131 -0.123 34 H VAL 5 H VAL 5 -6.892 -10.350 -0.838 35 HA VAL 5 HA VAL 5 -4.124 -10.717 0.115 36 HB VAL 5 HB VAL 5 -5.044 -8.362 -1.517 37 1HG1 VAL 5 1HG1 VAL 5 -2.362 -9.658 -1.066 38 2HG1 VAL 5 2HG1 VAL 5 -2.928 -8.138 -0.372 39 3HG1 VAL 5 3HG1 VAL 5 -2.654 -8.267 -2.109 40 1HG2 VAL 5 1HG2 VAL 5 -5.576 -10.432 -2.773 41 2HG2 VAL 5 2HG2 VAL 5 -3.875 -10.890 -2.663 42 3HG2 VAL 5 3HG2 VAL 5 -4.345 -9.434 -3.548 43 H ARG 6 H ARG 6 -3.766 -9.860 2.070 44 HA ARG 6 HA ARG 6 -5.495 -7.626 2.926 45 1HB ARG 6 2HB ARG 6 -4.379 -9.705 4.805 46 2HB ARG 6 1HB ARG 6 -5.585 -8.477 5.151 47 1HG ARG 6 2HG ARG 6 -7.067 -10.112 4.851 48 2HG ARG 6 1HG ARG 6 -6.760 -9.885 3.131 49 1HD ARG 6 2HD ARG 6 -5.136 -11.627 3.109 50 2HD ARG 6 1HD ARG 6 -5.177 -11.762 4.864 51 HE ARG 6 HE ARG 6 -7.747 -12.245 3.789 52 1HH1 ARG 6 1HH1 ARG 6 -4.584 -13.698 4.110 53 2HH1 ARG 6 2HH1 ARG 6 -5.177 -15.331 4.021 54 1HH2 ARG 6 1HH2 ARG 6 -8.553 -14.386 3.690 55 2HH2 ARG 6 2HH2 ARG 6 -7.438 -15.719 3.795 56 H ASP 7 H ASP 7 -4.470 -6.562 4.983 57 HA ASP 7 HA ASP 7 -1.816 -5.682 4.188 58 1HB ASP 7 2HB ASP 7 -2.151 -3.848 5.632 59 2HB ASP 7 1HB ASP 7 -3.756 -4.168 4.985 60 H CYS 8 H CYS 8 -0.740 -4.981 6.652 61 HA CYS 8 HA CYS 8 0.532 -7.359 7.468 62 1HB CYS 8 2HB CYS 8 1.476 -5.955 9.279 63 2HB CYS 8 1HB CYS 8 1.588 -5.183 7.699 64 HG CYS 8 HG CYS 8 -1.129 -3.977 8.555 65 H ASN 9 H ASN 9 -2.460 -5.965 8.414 66 HA ASN 9 HA ASN 9 -2.513 -7.374 10.976 67 1HB ASN 9 2HB ASN 9 -3.487 -4.928 10.218 68 2HB ASN 9 1HB ASN 9 -4.925 -5.935 10.117 69 1HD2 ASN 9 1HD2 ASN 9 -2.272 -6.458 12.341 70 2HD2 ASN 9 2HD2 ASN 9 -3.165 -6.108 13.781 71 H GLY 10 H GLY 10 -4.374 -7.139 7.967 72 1HA GLY 10 2HA GLY 10 -5.047 -9.532 7.235 73 2HA GLY 10 1HA GLY 10 -5.890 -9.533 8.777 74 H ALA 11 H ALA 11 -5.851 -6.454 7.402 75 HA ALA 11 HA ALA 11 -8.657 -6.608 6.731 76 1HB ALA 11 1HB ALA 11 -7.764 -4.650 7.900 77 2HB ALA 11 2HB ALA 11 -8.463 -4.203 6.344 78 3HB ALA 11 3HB ALA 11 -6.712 -4.308 6.526 79 H LEU 12 H LEU 12 -9.495 -6.719 4.720 80 HA LEU 12 HA LEU 12 -7.740 -7.673 2.682 81 1HB LEU 12 2HB LEU 12 -10.694 -7.265 2.903 82 2HB LEU 12 1HB LEU 12 -9.970 -7.653 1.352 83 HG LEU 12 HG LEU 12 -9.471 -9.364 3.781 84 1HD1 LEU 12 1HD1 LEU 12 -11.274 -10.828 2.989 85 2HD1 LEU 12 2HD1 LEU 12 -11.693 -9.647 1.747 86 3HD1 LEU 12 3HD1 LEU 12 -11.897 -9.245 3.453 87 1HD2 LEU 12 1HD2 LEU 12 -8.961 -11.041 2.104 88 2HD2 LEU 12 2HD2 LEU 12 -7.986 -9.595 1.840 89 3HD2 LEU 12 3HD2 LEU 12 -9.384 -9.913 0.816 90 H LEU 13 H LEU 13 -7.222 -6.842 0.738 91 HA LEU 13 HA LEU 13 -7.685 -3.957 0.372 92 1HB LEU 13 2HB LEU 13 -5.426 -5.732 -0.556 93 2HB LEU 13 1HB LEU 13 -5.615 -4.054 -1.031 94 HG LEU 13 HG LEU 13 -5.277 -4.956 1.828 95 1HD1 LEU 13 1HD1 LEU 13 -3.289 -5.519 0.542 96 2HD1 LEU 13 2HD1 LEU 13 -2.972 -4.158 1.617 97 3HD1 LEU 13 3HD1 LEU 13 -3.229 -3.881 -0.106 98 1HD2 LEU 13 1HD2 LEU 13 -5.071 -2.244 0.521 99 2HD2 LEU 13 2HD2 LEU 13 -4.794 -2.600 2.228 100 3HD2 LEU 13 3HD2 LEU 13 -6.403 -2.805 1.536 101 H ALA 14 H ALA 14 -7.664 -3.261 -1.933 102 HA ALA 14 HA ALA 14 -8.340 -5.199 -3.953 103 1HB ALA 14 1HB ALA 14 -10.543 -4.312 -4.461 104 2HB ALA 14 2HB ALA 14 -10.420 -3.178 -3.116 105 3HB ALA 14 3HB ALA 14 -10.500 -4.911 -2.803 106 H ASP 15 H ASP 15 -8.962 -3.927 -6.050 107 HA ASP 15 HA ASP 15 -6.901 -2.077 -6.620 108 1HB ASP 15 2HB ASP 15 -7.996 -3.471 -8.354 109 2HB ASP 15 1HB ASP 15 -9.469 -2.525 -8.163 110 H GLY 16 H GLY 16 -6.745 -0.015 -6.116 111 1HA GLY 16 2HA GLY 16 -7.558 2.233 -6.205 112 2HA GLY 16 1HA GLY 16 -9.186 1.618 -5.959 113 H ASP 17 H ASP 17 -7.203 -0.064 -3.942 114 HA ASP 17 HA ASP 17 -8.213 1.355 -1.635 115 1HB ASP 17 2HB ASP 17 -7.687 -1.279 -2.123 116 2HB ASP 17 1HB ASP 17 -6.264 -0.814 -1.202 117 H ASN 18 H ASN 18 -6.548 1.525 0.280 118 HA ASN 18 HA ASN 18 -4.040 2.633 -0.754 119 1HB ASN 18 2HB ASN 18 -4.304 4.470 1.026 120 2HB ASN 18 1HB ASN 18 -5.210 4.626 -0.471 121 1HD2 ASN 18 1HD2 ASN 18 -6.620 6.021 0.543 122 2HD2 ASN 18 2HD2 ASN 18 -7.858 5.453 1.621 123 H VAL 19 H VAL 19 -2.294 2.467 0.512 124 HA VAL 19 HA VAL 19 -2.587 1.283 3.176 125 HB VAL 19 HB VAL 19 -0.692 -0.261 2.743 126 1HG1 VAL 19 1HG1 VAL 19 -1.956 -1.936 1.508 127 2HG1 VAL 19 2HG1 VAL 19 -3.056 -0.688 0.924 128 3HG1 VAL 19 3HG1 VAL 19 -2.994 -1.072 2.644 129 1HG2 VAL 19 1HG2 VAL 19 -1.086 0.520 -0.143 130 2HG2 VAL 19 2HG2 VAL 19 -0.040 -0.776 0.442 131 3HG2 VAL 19 3HG2 VAL 19 0.317 0.901 0.854 132 H SER 20 H SER 20 -0.307 1.243 4.239 133 HA SER 20 HA SER 20 1.488 3.285 3.254 134 1HB SER 20 2HB SER 20 0.030 3.576 5.876 135 2HB SER 20 1HB SER 20 1.443 4.528 5.435 136 HG SER 20 HG SER 20 -0.622 4.455 3.589 137 H LEU 21 H LEU 21 3.540 3.244 4.224 138 HA LEU 21 HA LEU 21 4.497 0.685 4.879 139 1HB LEU 21 2HB LEU 21 5.625 3.447 4.892 140 2HB LEU 21 1HB LEU 21 6.534 2.178 5.682 141 HG LEU 21 HG LEU 21 7.262 2.630 3.352 142 1HD1 LEU 21 1HD1 LEU 21 7.737 0.502 4.340 143 2HD1 LEU 21 2HD1 LEU 21 7.303 0.263 2.649 144 3HD1 LEU 21 3HD1 LEU 21 6.136 -0.101 3.922 145 1HD2 LEU 21 1HD2 LEU 21 5.891 1.867 1.493 146 2HD2 LEU 21 2HD2 LEU 21 5.077 3.155 2.381 147 3HD2 LEU 21 3HD2 LEU 21 4.578 1.479 2.605 148 H ILE 22 H ILE 22 4.640 -0.406 6.750 149 HA ILE 22 HA ILE 22 3.814 0.921 9.218 150 HB ILE 22 HB ILE 22 3.746 -1.273 10.234 151 1HG1 ILE 22 2HG1 ILE 22 4.832 -2.347 7.621 152 2HG1 ILE 22 1HG1 ILE 22 5.765 -2.190 9.103 153 1HG2 ILE 22 1HG2 ILE 22 1.837 -0.578 8.878 154 2HG2 ILE 22 2HG2 ILE 22 2.051 -2.329 8.855 155 3HG2 ILE 22 3HG2 ILE 22 2.555 -1.361 7.469 156 1HD1 ILE 22 1HD1 ILE 22 5.017 -4.474 8.755 157 2HD1 ILE 22 2HD1 ILE 22 3.339 -3.930 8.728 158 3HD1 ILE 22 3HD1 ILE 22 4.291 -3.783 10.206 159 H LYS 23 H LYS 23 6.643 0.309 7.605 160 HA LYS 23 HA LYS 23 8.295 1.060 9.828 161 1HB LYS 23 2HB LYS 23 9.813 -0.970 9.494 162 2HB LYS 23 1HB LYS 23 8.309 -1.264 10.359 163 1HG LYS 23 2HG LYS 23 7.365 -2.418 8.603 164 2HG LYS 23 1HG LYS 23 8.421 -1.671 7.411 165 1HD LYS 23 2HD LYS 23 9.275 -3.808 7.525 166 2HD LYS 23 1HD LYS 23 10.305 -2.950 8.669 167 1HE LYS 23 2HE LYS 23 7.875 -4.575 9.406 168 2HE LYS 23 1HE LYS 23 9.537 -5.154 9.480 169 1HZ LYS 23 1HZ LYS 23 9.967 -3.260 11.045 170 2HZ LYS 23 2HZ LYS 23 8.943 -4.474 11.642 171 3HZ LYS 23 3HZ LYS 23 8.287 -3.009 11.105 172 H ASP 24 H ASP 24 10.689 1.053 8.990 173 HA ASP 24 HA ASP 24 10.653 2.242 6.344 174 1HB ASP 24 2HB ASP 24 13.127 1.782 8.003 175 2HB ASP 24 1HB ASP 24 12.879 2.966 6.740 176 H LEU 25 H LEU 25 10.937 1.093 4.555 177 HA LEU 25 HA LEU 25 12.426 -1.446 4.714 178 1HB LEU 25 2HB LEU 25 10.134 -0.600 2.975 179 2HB LEU 25 1HB LEU 25 11.202 -1.888 2.473 180 HG LEU 25 HG LEU 25 9.210 -2.821 3.441 181 1HD1 LEU 25 1HD1 LEU 25 10.168 -4.181 5.257 182 2HD1 LEU 25 2HD1 LEU 25 11.567 -3.106 5.298 183 3HD1 LEU 25 3HD1 LEU 25 11.238 -4.069 3.857 184 1HD2 LEU 25 1HD2 LEU 25 9.878 -1.246 5.907 185 2HD2 LEU 25 2HD2 LEU 25 8.599 -2.453 5.761 186 3HD2 LEU 25 3HD2 LEU 25 8.521 -0.970 4.818 187 H LYS 26 H LYS 26 14.435 -1.083 4.039 188 HA LYS 26 HA LYS 26 14.866 0.745 1.797 189 1HB LYS 26 2HB LYS 26 16.282 0.868 3.880 190 2HB LYS 26 1HB LYS 26 16.933 -0.698 3.439 191 1HG LYS 26 2HG LYS 26 17.083 1.403 1.379 192 2HG LYS 26 1HG LYS 26 18.112 1.602 2.797 193 1HD LYS 26 2HD LYS 26 18.012 -0.856 1.052 194 2HD LYS 26 1HD LYS 26 19.243 0.406 0.965 195 1HE LYS 26 2HE LYS 26 18.648 -1.223 3.426 196 2HE LYS 26 1HE LYS 26 19.926 -1.602 2.274 197 1HZ LYS 26 1HZ LYS 26 19.719 0.926 3.828 198 2HZ LYS 26 2HZ LYS 26 20.966 0.510 2.759 199 3HZ LYS 26 3HZ LYS 26 20.748 -0.370 4.195 200 H LEU 27 H LEU 27 15.397 0.092 -0.171 201 HA LEU 27 HA LEU 27 14.883 -2.660 -0.817 202 1HB LEU 27 2HB LEU 27 15.496 -0.240 -2.505 203 2HB LEU 27 1HB LEU 27 15.172 -1.819 -3.180 204 HG LEU 27 HG LEU 27 13.264 -0.113 -1.592 205 1HD1 LEU 27 1HD1 LEU 27 13.548 0.599 -3.893 206 2HD1 LEU 27 2HD1 LEU 27 11.961 -0.137 -3.671 207 3HD1 LEU 27 3HD1 LEU 27 13.252 -1.045 -4.458 208 1HD2 LEU 27 1HD2 LEU 27 11.614 -1.879 -1.988 209 2HD2 LEU 27 2HD2 LEU 27 12.953 -2.453 -0.994 210 3HD2 LEU 27 3HD2 LEU 27 12.870 -2.891 -2.701 211 H LYS 28 H LYS 28 16.234 -4.022 -2.058 212 HA LYS 28 HA LYS 28 19.000 -3.858 -1.187 213 1HB LYS 28 2HB LYS 28 17.840 -5.968 -0.898 214 2HB LYS 28 1HB LYS 28 17.444 -6.026 -2.610 215 1HG LYS 28 2HG LYS 28 19.932 -6.073 -3.052 216 2HG LYS 28 1HG LYS 28 20.137 -6.348 -1.321 217 1HD LYS 28 2HD LYS 28 18.790 -8.367 -1.460 218 2HD LYS 28 1HD LYS 28 18.507 -8.077 -3.179 219 1HE LYS 28 2HE LYS 28 20.951 -8.226 -3.556 220 2HE LYS 28 1HE LYS 28 21.157 -8.637 -1.854 221 1HZ LYS 28 1HZ LYS 28 19.713 -10.212 -3.910 222 2HZ LYS 28 2HZ LYS 28 19.680 -10.572 -2.258 223 3HZ LYS 28 3HZ LYS 28 21.146 -10.637 -3.111 224 H GLY 29 H GLY 29 17.193 -4.136 -4.231 225 1HA GLY 29 2HA GLY 29 19.571 -4.222 -5.839 226 2HA GLY 29 1HA GLY 29 17.921 -4.099 -6.425 227 H SER 30 H SER 30 18.655 -1.741 -4.129 228 HA SER 30 HA SER 30 19.837 0.190 -5.886 229 1HB SER 30 2HB SER 30 16.946 0.549 -5.037 230 2HB SER 30 1HB SER 30 17.934 1.781 -5.822 231 HG SER 30 HG SER 30 17.966 -0.556 -7.205 232 H SER 31 H SER 31 19.444 2.494 -4.642 233 HA SER 31 HA SER 31 20.072 1.976 -1.817 234 1HB SER 31 2HB SER 31 20.528 4.464 -3.487 235 2HB SER 31 1HB SER 31 21.065 4.223 -1.823 236 HG SER 31 HG SER 31 22.467 2.636 -2.506 237 H THR 32 H THR 32 17.454 2.065 -3.245 238 HA THR 32 HA THR 32 16.027 4.374 -2.431 239 HB THR 32 HB THR 32 14.966 1.629 -3.130 240 HG1 THR 32 1HG THR 32 14.703 3.074 -5.219 241 1HG2 THR 32 1HG2 THR 32 13.668 4.352 -3.281 242 2HG2 THR 32 2HG2 THR 32 13.293 3.082 -2.114 243 3HG2 THR 32 3HG2 THR 32 12.954 2.834 -3.825 244 H VAL 33 H VAL 33 15.961 4.806 -0.281 245 HA VAL 33 HA VAL 33 15.319 2.634 1.588 246 HB VAL 33 HB VAL 33 15.987 5.474 2.353 247 1HG1 VAL 33 1HG1 VAL 33 16.693 4.421 4.459 248 2HG1 VAL 33 2HG1 VAL 33 16.207 2.849 3.822 249 3HG1 VAL 33 3HG1 VAL 33 14.996 4.106 4.091 250 1HG2 VAL 33 1HG2 VAL 33 17.827 4.707 0.976 251 2HG2 VAL 33 2HG2 VAL 33 17.938 3.217 1.915 252 3HG2 VAL 33 3HG2 VAL 33 18.319 4.765 2.669 253 H LEU 34 H LEU 34 13.118 2.354 1.540 254 HA LEU 34 HA LEU 34 11.366 4.658 1.520 255 1HB LEU 34 2HB LEU 34 10.815 1.704 1.734 256 2HB LEU 34 1HB LEU 34 9.559 2.921 1.843 257 HG LEU 34 HG LEU 34 10.627 3.668 -0.484 258 1HD1 LEU 34 1HD1 LEU 34 11.132 0.699 -0.364 259 2HD1 LEU 34 2HD1 LEU 34 12.359 1.960 -0.487 260 3HD1 LEU 34 3HD1 LEU 34 11.221 1.703 -1.810 261 1HD2 LEU 34 1HD2 LEU 34 8.297 3.119 -0.040 262 2HD2 LEU 34 2HD2 LEU 34 8.680 1.399 -0.132 263 3HD2 LEU 34 3HD2 LEU 34 8.845 2.418 -1.563 264 H LYS 35 H LYS 35 10.138 5.378 3.215 265 HA LYS 35 HA LYS 35 11.078 4.436 5.841 266 1HB LYS 35 2HB LYS 35 10.306 7.185 4.891 267 2HB LYS 35 1HB LYS 35 10.404 6.780 6.598 268 1HG LYS 35 2HG LYS 35 12.696 6.320 4.724 269 2HG LYS 35 1HG LYS 35 12.444 7.866 5.541 270 1HD LYS 35 2HD LYS 35 12.829 5.174 6.850 271 2HD LYS 35 1HD LYS 35 14.016 6.476 6.771 272 1HE LYS 35 2HE LYS 35 12.447 7.915 8.049 273 2HE LYS 35 1HE LYS 35 11.360 6.530 8.203 274 1HZ LYS 35 1HZ LYS 35 12.995 5.352 9.447 275 2HZ LYS 35 2HZ LYS 35 12.820 6.888 10.151 276 3HZ LYS 35 3HZ LYS 35 14.165 6.553 9.177 277 H ARG 36 H ARG 36 9.647 4.543 7.593 278 HA ARG 36 HA ARG 36 7.090 3.494 7.188 279 1HB ARG 36 2HB ARG 36 8.444 3.316 9.271 280 2HB ARG 36 1HB ARG 36 8.126 5.011 9.587 281 1HG ARG 36 2HG ARG 36 5.738 4.552 9.736 282 2HG ARG 36 1HG ARG 36 6.049 2.843 9.424 283 1HD ARG 36 2HD ARG 36 7.318 2.650 11.457 284 2HD ARG 36 1HD ARG 36 7.190 4.388 11.746 285 HE ARG 36 HE ARG 36 4.607 3.255 11.521 286 1HH1 ARG 36 1HH1 ARG 36 7.323 3.442 13.728 287 2HH1 ARG 36 2HH1 ARG 36 6.349 3.228 15.148 288 1HH2 ARG 36 1HH2 ARG 36 3.316 2.988 13.388 289 2HH2 ARG 36 2HH2 ARG 36 4.070 2.996 14.959 290 H GLY 37 H GLY 37 5.030 4.401 7.258 291 1HA GLY 37 2HA GLY 37 3.473 6.138 7.566 292 2HA GLY 37 1HA GLY 37 4.801 7.284 7.648 293 H THR 38 H THR 38 5.675 5.616 5.077 294 HA THR 38 HA THR 38 4.815 7.518 3.180 295 HB THR 38 HB THR 38 5.898 4.725 2.709 296 HG1 THR 38 1HG THR 38 7.526 5.800 3.675 297 1HG2 THR 38 1HG2 THR 38 6.528 5.571 0.488 298 2HG2 THR 38 2HG2 THR 38 5.716 7.096 0.840 299 3HG2 THR 38 3HG2 THR 38 4.780 5.606 0.722 300 H MET 39 H MET 39 2.784 7.758 2.521 301 HA MET 39 HA MET 39 0.924 5.562 2.616 302 1HB MET 39 2HB MET 39 0.014 7.651 3.262 303 2HB MET 39 1HB MET 39 0.650 8.458 1.833 304 1HG MET 39 2HG MET 39 -0.936 7.432 0.425 305 2HG MET 39 1HG MET 39 -1.398 6.270 1.665 306 1HE MET 39 1HE MET 39 -3.497 8.321 4.136 307 2HE MET 39 2HE MET 39 -1.832 7.745 4.238 308 3HE MET 39 3HE MET 39 -3.084 6.707 3.555 309 H ILE 40 H ILE 40 0.762 4.143 1.119 310 HA ILE 40 HA ILE 40 1.236 4.913 -1.691 311 HB ILE 40 HB ILE 40 1.197 2.124 -0.509 312 1HG1 ILE 40 2HG1 ILE 40 3.535 3.841 -1.384 313 2HG1 ILE 40 1HG1 ILE 40 3.152 3.381 0.272 314 1HG2 ILE 40 1HG2 ILE 40 0.504 2.183 -2.839 315 2HG2 ILE 40 2HG2 ILE 40 2.094 1.439 -2.685 316 3HG2 ILE 40 3HG2 ILE 40 1.951 3.099 -3.263 317 1HD1 ILE 40 1HD1 ILE 40 3.946 1.506 -1.947 318 2HD1 ILE 40 2HD1 ILE 40 3.555 1.038 -0.290 319 3HD1 ILE 40 3HD1 ILE 40 4.968 2.042 -0.614 320 H ARG 41 H ARG 41 -0.716 5.596 -2.404 321 HA ARG 41 HA ARG 41 -3.046 3.928 -1.748 322 1HB ARG 41 2HB ARG 41 -4.321 6.111 -2.406 323 2HB ARG 41 1HB ARG 41 -3.589 5.959 -0.818 324 1HG ARG 41 2HG ARG 41 -3.094 8.128 -1.591 325 2HG ARG 41 1HG ARG 41 -1.602 7.198 -1.715 326 1HD ARG 41 2HD ARG 41 -2.119 6.823 -4.126 327 2HD ARG 41 1HD ARG 41 -3.490 7.919 -3.953 328 HE ARG 41 HE ARG 41 -0.821 8.888 -3.229 329 1HH1 ARG 41 1HH1 ARG 41 -3.505 8.874 -5.469 330 2HH1 ARG 41 2HH1 ARG 41 -3.056 10.372 -6.229 331 1HH2 ARG 41 1HH2 ARG 41 -0.187 10.840 -4.236 332 2HH2 ARG 41 2HH2 ARG 41 -1.145 11.482 -5.543 333 H GLY 42 H GLY 42 -4.709 3.718 -3.370 334 1HA GLY 42 2HA GLY 42 -5.458 3.467 -5.555 335 2HA GLY 42 1HA GLY 42 -3.984 4.239 -6.125 336 H ILE 43 H ILE 43 -3.971 1.565 -3.883 337 HA ILE 43 HA ILE 43 -2.218 0.103 -5.644 338 HB ILE 43 HB ILE 43 -1.945 -1.480 -3.839 339 1HG1 ILE 43 2HG1 ILE 43 -3.211 -0.713 -1.604 340 2HG1 ILE 43 1HG1 ILE 43 -4.418 -0.200 -2.775 341 1HG2 ILE 43 1HG2 ILE 43 -1.030 -0.022 -2.149 342 2HG2 ILE 43 2HG2 ILE 43 -2.013 1.318 -2.739 343 3HG2 ILE 43 3HG2 ILE 43 -0.732 0.652 -3.752 344 1HD1 ILE 43 1HD1 ILE 43 -3.327 -2.986 -2.464 345 2HD1 ILE 43 2HD1 ILE 43 -4.524 -2.477 -3.655 346 3HD1 ILE 43 3HD1 ILE 43 -4.909 -2.415 -1.934 347 H ARG 44 H ARG 44 -2.581 -2.186 -6.128 348 HA ARG 44 HA ARG 44 -5.392 -2.986 -6.210 349 1HB ARG 44 2HB ARG 44 -4.979 -3.804 -8.585 350 2HB ARG 44 1HB ARG 44 -5.209 -2.075 -8.359 351 1HG ARG 44 2HG ARG 44 -2.968 -1.602 -8.723 352 2HG ARG 44 1HG ARG 44 -2.469 -3.269 -8.416 353 1HD ARG 44 2HD ARG 44 -2.416 -2.603 -10.818 354 2HD ARG 44 1HD ARG 44 -3.417 -4.010 -10.464 355 HE ARG 44 HE ARG 44 -5.131 -1.853 -10.377 356 1HH1 ARG 44 1HH1 ARG 44 -2.980 -3.275 -12.732 357 2HH1 ARG 44 2HH1 ARG 44 -3.962 -2.846 -14.099 358 1HH2 ARG 44 1HH2 ARG 44 -6.429 -1.253 -12.151 359 2HH2 ARG 44 2HH2 ARG 44 -5.944 -1.692 -13.765 360 H LEU 45 H LEU 45 -5.609 -5.277 -6.928 361 HA LEU 45 HA LEU 45 -3.656 -6.868 -5.484 362 1HB LEU 45 2HB LEU 45 -6.201 -7.786 -6.818 363 2HB LEU 45 1HB LEU 45 -5.280 -8.637 -5.592 364 HG LEU 45 HG LEU 45 -6.863 -6.107 -5.202 365 1HD1 LEU 45 1HD1 LEU 45 -8.274 -7.486 -3.778 366 2HD1 LEU 45 2HD1 LEU 45 -7.299 -8.900 -4.181 367 3HD1 LEU 45 3HD1 LEU 45 -8.241 -8.093 -5.433 368 1HD2 LEU 45 1HD2 LEU 45 -6.305 -6.287 -2.854 369 2HD2 LEU 45 2HD2 LEU 45 -4.845 -6.109 -3.828 370 3HD2 LEU 45 3HD2 LEU 45 -5.290 -7.691 -3.187 371 H THR 46 H THR 46 -2.323 -8.355 -6.400 372 HA THR 46 HA THR 46 -2.132 -8.322 -9.318 373 HB THR 46 HB THR 46 0.057 -9.411 -8.984 374 HG1 THR 46 1HG THR 46 -0.358 -9.063 -6.181 375 1HG2 THR 46 1HG2 THR 46 -0.051 -6.970 -9.000 376 2HG2 THR 46 2HG2 THR 46 1.209 -7.536 -7.904 377 3HG2 THR 46 3HG2 THR 46 -0.328 -6.963 -7.257 378 H ASP 47 H ASP 47 -0.868 -10.821 -9.662 379 HA ASP 47 HA ASP 47 -3.064 -12.673 -9.359 380 1HB ASP 47 2HB ASP 47 -0.276 -13.015 -10.488 381 2HB ASP 47 1HB ASP 47 -1.480 -14.298 -10.444 382 H SER 48 H SER 48 -0.705 -11.543 -7.399 383 HA SER 48 HA SER 48 -0.273 -14.025 -5.930 384 1HB SER 48 2HB SER 48 0.943 -11.271 -5.737 385 2HB SER 48 1HB SER 48 1.369 -12.597 -4.675 386 HG SER 48 HG SER 48 2.864 -12.593 -6.288 387 H GLU 49 H GLU 49 -0.874 -14.240 -3.787 388 HA GLU 49 HA GLU 49 -3.021 -12.494 -2.874 389 1HB GLU 49 2HB GLU 49 -1.930 -14.949 -1.494 390 2HB GLU 49 1HB GLU 49 -3.508 -14.201 -1.276 391 1HG GLU 49 2HG GLU 49 -4.166 -14.867 -3.505 392 2HG GLU 49 1HG GLU 49 -2.561 -15.532 -3.801 393 H ASP 50 H ASP 50 0.301 -12.907 -2.470 394 HA ASP 50 HA ASP 50 0.326 -11.564 0.139 395 1HB ASP 50 2HB ASP 50 2.322 -13.259 -1.326 396 2HB ASP 50 1HB ASP 50 2.842 -12.184 -0.033 397 H GLU 51 H GLU 51 0.470 -10.809 -3.065 398 HA GLU 51 HA GLU 51 2.217 -8.505 -2.547 399 1HB GLU 51 2HB GLU 51 2.155 -10.254 -4.987 400 2HB GLU 51 1HB GLU 51 2.834 -8.646 -5.011 401 1HG GLU 51 2HG GLU 51 4.757 -9.540 -4.403 402 2HG GLU 51 1HG GLU 51 4.030 -9.876 -2.835 403 H ILE 52 H ILE 52 1.672 -6.610 -3.406 404 HA ILE 52 HA ILE 52 -0.729 -6.450 -5.098 405 HB ILE 52 HB ILE 52 -1.358 -4.335 -4.000 406 1HG1 ILE 52 2HG1 ILE 52 0.493 -5.021 -1.737 407 2HG1 ILE 52 1HG1 ILE 52 1.049 -4.035 -3.087 408 1HG2 ILE 52 1HG2 ILE 52 -1.233 -6.703 -2.145 409 2HG2 ILE 52 2HG2 ILE 52 -2.493 -6.355 -3.329 410 3HG2 ILE 52 3HG2 ILE 52 -2.277 -5.298 -1.934 411 1HD1 ILE 52 1HD1 ILE 52 -0.720 -2.426 -2.644 412 2HD1 ILE 52 2HD1 ILE 52 0.320 -2.656 -1.236 413 3HD1 ILE 52 3HD1 ILE 52 -1.276 -3.408 -1.288 414 H GLU 53 H GLU 53 -0.811 -4.172 -6.088 415 HA GLU 53 HA GLU 53 1.901 -3.179 -6.632 416 1HB GLU 53 2HB GLU 53 1.002 -4.551 -8.482 417 2HB GLU 53 1HB GLU 53 -0.380 -3.494 -8.568 418 1HG GLU 53 2HG GLU 53 2.385 -2.429 -8.967 419 2HG GLU 53 1HG GLU 53 1.505 -3.199 -10.285 420 H GLY 54 H GLY 54 2.108 -1.000 -6.412 421 1HA GLY 54 2HA GLY 54 -0.326 0.620 -6.358 422 2HA GLY 54 1HA GLY 54 0.638 0.566 -4.894 423 H ARG 55 H ARG 55 0.735 2.918 -5.261 424 HA ARG 55 HA ARG 55 3.045 3.609 -6.864 425 1HB ARG 55 2HB ARG 55 1.835 5.389 -8.075 426 2HB ARG 55 1HB ARG 55 1.314 3.767 -8.502 427 1HG ARG 55 2HG ARG 55 -0.456 4.372 -6.550 428 2HG ARG 55 1HG ARG 55 -0.177 5.962 -7.273 429 1HD ARG 55 2HD ARG 55 -1.811 5.229 -8.674 430 2HD ARG 55 1HD ARG 55 -0.407 4.559 -9.504 431 HE ARG 55 HE ARG 55 -2.413 3.091 -7.970 432 1HH1 ARG 55 1HH1 ARG 55 0.584 2.959 -9.796 433 2HH1 ARG 55 2HH1 ARG 55 0.556 1.225 -9.947 434 1HH2 ARG 55 1HH2 ARG 55 -2.469 0.839 -8.239 435 2HH2 ARG 55 2HH2 ARG 55 -1.196 0.029 -9.120 436 H THR 56 H THR 56 3.967 5.540 -6.330 437 HA THR 56 HA THR 56 2.970 6.816 -3.867 438 HB THR 56 HB THR 56 5.259 7.110 -3.109 439 HG1 THR 56 1HG THR 56 6.071 5.678 -5.437 440 1HG2 THR 56 1HG2 THR 56 5.983 4.779 -2.794 441 2HG2 THR 56 2HG2 THR 56 4.822 4.263 -4.017 442 3HG2 THR 56 3HG2 THR 56 4.253 4.973 -2.504 443 H ASP 57 H ASP 57 4.638 8.921 -3.678 444 HA ASP 57 HA ASP 57 3.809 10.743 -5.628 445 1HB ASP 57 2HB ASP 57 6.170 10.870 -3.742 446 2HB ASP 57 1HB ASP 57 5.594 12.229 -4.700 447 H LYS 58 H LYS 58 6.898 9.033 -5.241 448 HA LYS 58 HA LYS 58 7.716 9.964 -7.890 449 1HB LYS 58 2HB LYS 58 9.307 10.051 -5.910 450 2HB LYS 58 1HB LYS 58 9.346 8.296 -5.972 451 1HG LYS 58 2HG LYS 58 10.243 8.358 -8.215 452 2HG LYS 58 1HG LYS 58 10.126 10.117 -8.239 453 1HD LYS 58 2HD LYS 58 11.701 10.188 -6.317 454 2HD LYS 58 1HD LYS 58 11.885 8.439 -6.457 455 1HE LYS 58 2HE LYS 58 12.484 10.411 -8.658 456 2HE LYS 58 1HE LYS 58 13.693 9.722 -7.576 457 1HZ LYS 58 1HZ LYS 58 11.929 8.030 -9.253 458 2HZ LYS 58 2HZ LYS 58 13.372 7.593 -8.471 459 3HZ LYS 58 3HZ LYS 58 13.414 8.626 -9.814 460 H ILE 59 H ILE 59 7.989 6.879 -6.136 461 HA ILE 59 HA ILE 59 8.152 5.406 -8.594 462 HB ILE 59 HB ILE 59 7.614 4.092 -5.952 463 1HG1 ILE 59 2HG1 ILE 59 9.326 5.841 -5.516 464 2HG1 ILE 59 1HG1 ILE 59 9.978 4.211 -5.355 465 1HG2 ILE 59 1HG2 ILE 59 7.740 2.709 -7.936 466 2HG2 ILE 59 2HG2 ILE 59 9.107 2.382 -6.867 467 3HG2 ILE 59 3HG2 ILE 59 9.335 3.365 -8.314 468 1HD1 ILE 59 1HD1 ILE 59 10.342 6.070 -7.688 469 2HD1 ILE 59 2HD1 ILE 59 10.952 4.417 -7.601 470 3HD1 ILE 59 3HD1 ILE 59 11.552 5.641 -6.480 471 H LYS 60 H LYS 60 6.295 5.398 -9.750 472 HA LYS 60 HA LYS 60 3.901 4.459 -8.339 473 1HB LYS 60 2HB LYS 60 2.600 5.665 -10.129 474 2HB LYS 60 1HB LYS 60 3.453 6.695 -8.989 475 1HG LYS 60 2HG LYS 60 5.272 6.930 -10.666 476 2HG LYS 60 1HG LYS 60 4.258 6.039 -11.801 477 1HD LYS 60 2HD LYS 60 4.020 8.430 -12.174 478 2HD LYS 60 1HD LYS 60 2.509 7.759 -11.556 479 1HE LYS 60 2HE LYS 60 2.915 9.817 -10.409 480 2HE LYS 60 1HE LYS 60 3.198 8.501 -9.273 481 1HZ LYS 60 1HZ LYS 60 5.610 8.726 -9.799 482 2HZ LYS 60 2HZ LYS 60 4.943 10.075 -9.025 483 3HZ LYS 60 3HZ LYS 60 5.242 10.122 -10.691 484 H GLY 61 H GLY 61 3.289 2.524 -8.894 485 1HA GLY 61 2HA GLY 61 2.703 0.869 -10.516 486 2HA GLY 61 1HA GLY 61 3.924 1.539 -11.589 487 H LEU 62 H LEU 62 4.158 0.666 -8.151 488 HA LEU 62 HA LEU 62 6.242 -1.245 -8.931 489 1HB LEU 62 2HB LEU 62 7.535 -0.715 -7.080 490 2HB LEU 62 1HB LEU 62 6.962 0.847 -7.624 491 HG LEU 62 HG LEU 62 5.694 -0.675 -5.354 492 1HD1 LEU 62 1HD1 LEU 62 7.796 1.489 -5.275 493 2HD1 LEU 62 2HD1 LEU 62 8.017 -0.197 -4.806 494 3HD1 LEU 62 3HD1 LEU 62 6.937 0.841 -3.877 495 1HD2 LEU 62 1HD2 LEU 62 4.788 1.531 -4.769 496 2HD2 LEU 62 2HD2 LEU 62 4.262 1.011 -6.371 497 3HD2 LEU 62 3HD2 LEU 62 5.541 2.215 -6.211 498 H VAL 63 H VAL 63 6.053 -3.260 -8.272 499 HA VAL 63 HA VAL 63 3.635 -4.024 -6.828 500 HB VAL 63 HB VAL 63 5.722 -5.778 -8.150 501 1HG1 VAL 63 1HG1 VAL 63 2.952 -6.443 -7.157 502 2HG1 VAL 63 2HG1 VAL 63 4.468 -6.942 -6.405 503 3HG1 VAL 63 3HG1 VAL 63 4.038 -7.543 -8.007 504 1HG2 VAL 63 1HG2 VAL 63 4.604 -4.359 -9.781 505 2HG2 VAL 63 2HG2 VAL 63 3.033 -4.878 -9.171 506 3HG2 VAL 63 3HG2 VAL 63 4.100 -6.039 -9.962 507 H LEU 64 H LEU 64 3.649 -4.539 -4.739 508 HA LEU 64 HA LEU 64 6.204 -5.335 -3.514 509 1HB LEU 64 2HB LEU 64 4.420 -3.092 -2.641 510 2HB LEU 64 1HB LEU 64 5.396 -3.958 -1.474 511 HG LEU 64 HG LEU 64 6.586 -2.665 -3.914 512 1HD1 LEU 64 1HD1 LEU 64 6.226 -1.517 -1.148 513 2HD1 LEU 64 2HD1 LEU 64 5.491 -0.925 -2.642 514 3HD1 LEU 64 3HD1 LEU 64 7.237 -0.822 -2.416 515 1HD2 LEU 64 1HD2 LEU 64 8.619 -2.769 -2.428 516 2HD2 LEU 64 2HD2 LEU 64 8.002 -4.325 -2.979 517 3HD2 LEU 64 3HD2 LEU 64 7.671 -3.783 -1.332 518 H ARG 65 H ARG 65 6.107 -6.748 -1.875 519 HA ARG 65 HA ARG 65 3.796 -8.270 -1.374 520 1HB ARG 65 2HB ARG 65 5.155 -8.973 0.705 521 2HB ARG 65 1HB ARG 65 5.789 -9.367 -0.876 522 1HG ARG 65 2HG ARG 65 7.326 -7.537 -0.783 523 2HG ARG 65 1HG ARG 65 6.633 -6.963 0.727 524 1HD ARG 65 2HD ARG 65 8.594 -8.136 1.332 525 2HD ARG 65 1HD ARG 65 7.270 -9.247 1.685 526 HE ARG 65 HE ARG 65 8.622 -9.478 -0.899 527 1HH1 ARG 65 1HH1 ARG 65 7.938 -10.838 2.269 528 2HH1 ARG 65 2HH1 ARG 65 8.703 -12.360 1.904 529 1HH2 ARG 65 1HH2 ARG 65 9.621 -11.472 -1.359 530 2HH2 ARG 65 2HH2 ARG 65 9.646 -12.725 -0.149 531 H THR 66 H THR 66 2.196 -8.029 0.028 532 HA THR 66 HA THR 66 1.970 -5.445 1.320 533 HB THR 66 HB THR 66 0.118 -6.255 -0.041 534 HG1 THR 66 1HG THR 66 -1.140 -6.500 2.390 535 1HG2 THR 66 1HG2 THR 66 0.435 -8.656 0.274 536 2HG2 THR 66 2HG2 THR 66 -1.226 -8.185 0.637 537 3HG2 THR 66 3HG2 THR 66 -0.094 -8.514 1.951 538 H GLU 67 H GLU 67 3.866 -7.315 2.488 539 HA GLU 67 HA GLU 67 2.556 -8.381 4.864 540 1HB GLU 67 2HB GLU 67 5.525 -8.236 4.422 541 2HB GLU 67 1HB GLU 67 4.613 -9.402 5.373 542 1HG GLU 67 2HG GLU 67 3.597 -10.162 3.196 543 2HG GLU 67 1HG GLU 67 4.835 -9.200 2.401 544 H PHE 68 H PHE 68 4.391 -5.667 3.855 545 HA PHE 68 HA PHE 68 4.694 -4.769 6.638 546 1HB PHE 68 2HB PHE 68 6.632 -3.446 5.834 547 2HB PHE 68 1HB PHE 68 6.827 -5.180 5.585 548 HD1 PHE 68 1HD PHE 68 6.063 -2.002 3.862 549 HD2 PHE 68 2HD PHE 68 7.186 -6.083 3.467 550 HE1 PHE 68 1HE PHE 68 6.588 -1.624 1.487 551 HE2 PHE 68 2HE PHE 68 7.709 -5.713 1.094 552 HZ PHE 68 HZ PHE 68 7.412 -3.483 0.102 553 H LEU 69 H LEU 69 2.471 -4.413 4.603 554 HA LEU 69 HA LEU 69 2.447 -1.471 4.603 555 1HB LEU 69 2HB LEU 69 0.909 -3.334 2.803 556 2HB LEU 69 1HB LEU 69 0.878 -1.587 2.740 557 HG LEU 69 HG LEU 69 3.348 -3.243 2.215 558 1HD1 LEU 69 1HD1 LEU 69 2.980 -2.712 -0.146 559 2HD1 LEU 69 2HD1 LEU 69 1.433 -1.971 0.268 560 3HD1 LEU 69 3HD1 LEU 69 1.678 -3.700 0.517 561 1HD2 LEU 69 1HD2 LEU 69 4.185 -1.142 1.233 562 2HD2 LEU 69 2HD2 LEU 69 3.858 -1.003 2.961 563 3HD2 LEU 69 3HD2 LEU 69 2.726 -0.322 1.792 564 H LYS 70 H LYS 70 0.664 -0.435 5.317 565 HA LYS 70 HA LYS 70 -1.246 -2.063 6.854 566 1HB LYS 70 2HB LYS 70 0.469 -0.086 7.749 567 2HB LYS 70 1HB LYS 70 -1.050 0.777 7.547 568 1HG LYS 70 2HG LYS 70 -0.461 -1.583 9.308 569 2HG LYS 70 1HG LYS 70 -1.002 0.030 9.781 570 1HD LYS 70 2HD LYS 70 -3.155 -0.384 8.679 571 2HD LYS 70 1HD LYS 70 -2.607 -1.992 8.219 572 1HE LYS 70 2HE LYS 70 -2.357 -2.569 10.600 573 2HE LYS 70 1HE LYS 70 -2.976 -0.974 11.033 574 1HZ LYS 70 1HZ LYS 70 -4.450 -3.070 9.534 575 2HZ LYS 70 2HZ LYS 70 -5.047 -1.524 9.889 576 3HZ LYS 70 3HZ LYS 70 -4.720 -2.613 11.145 577 H LYS 71 H LYS 71 -3.257 -2.032 6.057 578 HA LYS 71 HA LYS 71 -4.161 -0.421 3.964 579 1HB LYS 71 2HB LYS 71 -5.235 -2.544 4.726 580 2HB LYS 71 1HB LYS 71 -5.837 -1.692 6.140 581 1HG LYS 71 2HG LYS 71 -6.988 -0.117 4.529 582 2HG LYS 71 1HG LYS 71 -6.597 -1.286 3.267 583 1HD LYS 71 2HD LYS 71 -7.786 -3.026 4.533 584 2HD LYS 71 1HD LYS 71 -8.205 -1.832 5.762 585 1HE LYS 71 2HE LYS 71 -10.092 -2.093 4.332 586 2HE LYS 71 1HE LYS 71 -9.368 -0.524 3.985 587 1HZ LYS 71 1HZ LYS 71 -8.380 -1.383 2.010 588 2HZ LYS 71 2HZ LYS 71 -10.023 -1.817 1.993 589 3HZ LYS 71 3HZ LYS 71 -8.852 -2.972 2.391 590 H ALA 72 H ALA 72 -4.673 1.678 3.909 591 HA ALA 72 HA ALA 72 -4.497 3.197 6.354 592 1HB ALA 72 1HB ALA 72 -3.447 4.001 4.284 593 2HB ALA 72 2HB ALA 72 -4.612 5.158 4.926 594 3HB ALA 72 3HB ALA 72 -5.041 4.151 3.542 595 H GLY 73 H GLY 73 -6.238 2.965 7.631 596 1HA GLY 73 2HA GLY 73 -8.835 3.752 6.473 597 2HA GLY 73 1HA GLY 73 -8.709 2.315 7.480 598 H SER 74 H SER 74 -6.752 5.064 8.190 599 HA SER 74 HA SER 74 -7.778 5.297 10.818 600 1HB SER 74 2HB SER 74 -5.430 5.886 10.035 601 2HB SER 74 1HB SER 74 -6.118 7.358 9.350 602 HG SER 74 HG SER 74 -5.592 8.043 11.307 Start of MODEL 4 1 1H MET 1 1HT MET 1 -7.097 -21.621 -5.700 2 2H MET 1 2HT MET 1 -7.363 -20.441 -4.510 3 3H MET 1 3HT MET 1 -6.505 -20.045 -5.915 4 HA MET 1 HA MET 1 -8.437 -20.390 -7.265 5 1HB MET 1 2HB MET 1 -10.631 -20.770 -6.218 6 2HB MET 1 1HB MET 1 -9.532 -22.110 -5.933 7 1HG MET 1 2HG MET 1 -9.117 -21.326 -3.678 8 2HG MET 1 1HG MET 1 -10.146 -19.924 -3.958 9 1HE MET 1 1HE MET 1 -11.505 -20.500 -1.749 10 2HE MET 1 2HE MET 1 -10.482 -21.911 -1.479 11 3HE MET 1 3HE MET 1 -12.237 -22.076 -1.437 12 H SER 2 H SER 2 -8.251 -18.851 -4.079 13 HA SER 2 HA SER 2 -9.436 -16.426 -5.248 14 1HB SER 2 2HB SER 2 -9.105 -17.120 -2.320 15 2HB SER 2 1HB SER 2 -10.021 -15.772 -2.993 16 HG SER 2 HG SER 2 -11.174 -17.810 -2.339 17 H ILE 3 H ILE 3 -8.412 -14.422 -4.866 18 HA ILE 3 HA ILE 3 -5.636 -14.632 -3.922 19 HB ILE 3 HB ILE 3 -5.051 -12.754 -5.404 20 1HG1 ILE 3 2HG1 ILE 3 -7.795 -13.152 -6.607 21 2HG1 ILE 3 1HG1 ILE 3 -7.350 -11.804 -5.573 22 1HG2 ILE 3 1HG2 ILE 3 -4.673 -15.071 -6.102 23 2HG2 ILE 3 2HG2 ILE 3 -5.007 -14.016 -7.475 24 3HG2 ILE 3 3HG2 ILE 3 -6.263 -15.093 -6.868 25 1HD1 ILE 3 1HD1 ILE 3 -5.688 -11.100 -7.209 26 2HD1 ILE 3 2HD1 ILE 3 -7.308 -11.159 -7.903 27 3HD1 ILE 3 3HD1 ILE 3 -6.149 -12.441 -8.255 28 H GLU 4 H GLU 4 -7.702 -14.168 -2.144 29 HA GLU 4 HA GLU 4 -8.256 -11.454 -1.690 30 1HB GLU 4 2HB GLU 4 -8.171 -13.761 0.258 31 2HB GLU 4 1HB GLU 4 -8.779 -12.158 0.643 32 1HG GLU 4 2HG GLU 4 -10.568 -12.350 -0.867 33 2HG GLU 4 1HG GLU 4 -9.871 -13.778 -1.616 34 H VAL 5 H VAL 5 -6.858 -9.957 -1.379 35 HA VAL 5 HA VAL 5 -4.284 -10.557 -0.143 36 HB VAL 5 HB VAL 5 -5.125 -7.921 -1.346 37 1HG1 VAL 5 1HG1 VAL 5 -2.714 -7.632 -1.663 38 2HG1 VAL 5 2HG1 VAL 5 -2.436 -9.202 -0.905 39 3HG1 VAL 5 3HG1 VAL 5 -3.128 -7.877 0.034 40 1HG2 VAL 5 1HG2 VAL 5 -3.819 -10.237 -2.780 41 2HG2 VAL 5 2HG2 VAL 5 -4.103 -8.629 -3.447 42 3HG2 VAL 5 3HG2 VAL 5 -5.469 -9.666 -3.032 43 H ARG 6 H ARG 6 -3.745 -9.856 1.864 44 HA ARG 6 HA ARG 6 -5.455 -7.842 3.144 45 1HB ARG 6 2HB ARG 6 -4.460 -10.306 4.595 46 2HB ARG 6 1HB ARG 6 -5.529 -9.064 5.222 47 1HG ARG 6 2HG ARG 6 -7.134 -10.567 4.736 48 2HG ARG 6 1HG ARG 6 -6.971 -9.914 3.109 49 1HD ARG 6 2HD ARG 6 -5.686 -11.714 2.378 50 2HD ARG 6 1HD ARG 6 -5.269 -12.205 4.020 51 HE ARG 6 HE ARG 6 -7.984 -12.487 3.883 52 1HH1 ARG 6 1HH1 ARG 6 -5.304 -13.711 2.008 53 2HH1 ARG 6 2HH1 ARG 6 -6.065 -15.231 1.649 54 1HH2 ARG 6 1HH2 ARG 6 -9.010 -14.479 3.420 55 2HH2 ARG 6 2HH2 ARG 6 -8.172 -15.666 2.468 56 H ASP 7 H ASP 7 -4.368 -6.611 4.816 57 HA ASP 7 HA ASP 7 -1.618 -6.130 4.067 58 1HB ASP 7 2HB ASP 7 -1.795 -4.145 5.330 59 2HB ASP 7 1HB ASP 7 -3.402 -4.373 4.647 60 H CYS 8 H CYS 8 -0.547 -5.250 6.519 61 HA CYS 8 HA CYS 8 0.454 -7.740 7.511 62 1HB CYS 8 2HB CYS 8 1.973 -5.920 7.421 63 2HB CYS 8 1HB CYS 8 0.881 -4.863 8.296 64 HG CYS 8 HG CYS 8 2.136 -5.200 10.503 65 H ASN 9 H ASN 9 -2.197 -5.782 8.273 66 HA ASN 9 HA ASN 9 -2.551 -6.745 10.988 67 1HB ASN 9 2HB ASN 9 -3.349 -4.483 9.977 68 2HB ASN 9 1HB ASN 9 -4.650 -5.429 9.286 69 1HD2 ASN 9 1HD2 ASN 9 -3.198 -6.040 12.422 70 2HD2 ASN 9 2HD2 ASN 9 -4.604 -5.632 13.344 71 H GLY 10 H GLY 10 -4.190 -7.033 7.875 72 1HA GLY 10 2HA GLY 10 -4.879 -9.425 7.345 73 2HA GLY 10 1HA GLY 10 -5.670 -9.362 8.915 74 H ALA 11 H ALA 11 -5.727 -6.359 7.386 75 HA ALA 11 HA ALA 11 -8.556 -6.578 6.848 76 1HB ALA 11 1HB ALA 11 -8.422 -4.204 6.301 77 2HB ALA 11 2HB ALA 11 -6.662 -4.270 6.381 78 3HB ALA 11 3HB ALA 11 -7.622 -4.531 7.838 79 H LEU 12 H LEU 12 -9.492 -6.802 4.893 80 HA LEU 12 HA LEU 12 -7.869 -7.785 2.768 81 1HB LEU 12 2HB LEU 12 -10.806 -7.325 3.138 82 2HB LEU 12 1HB LEU 12 -10.167 -7.758 1.564 83 HG LEU 12 HG LEU 12 -9.508 -9.459 3.947 84 1HD1 LEU 12 1HD1 LEU 12 -11.494 -10.822 3.465 85 2HD1 LEU 12 2HD1 LEU 12 -12.034 -9.622 2.291 86 3HD1 LEU 12 3HD1 LEU 12 -11.939 -9.202 4.001 87 1HD2 LEU 12 1HD2 LEU 12 -9.398 -11.197 2.229 88 2HD2 LEU 12 2HD2 LEU 12 -8.339 -9.843 1.836 89 3HD2 LEU 12 3HD2 LEU 12 -9.883 -10.027 1.001 90 H LEU 13 H LEU 13 -7.235 -6.870 0.959 91 HA LEU 13 HA LEU 13 -7.778 -4.020 0.538 92 1HB LEU 13 2HB LEU 13 -5.586 -5.844 -0.459 93 2HB LEU 13 1HB LEU 13 -5.800 -4.198 -1.020 94 HG LEU 13 HG LEU 13 -5.329 -4.881 1.877 95 1HD1 LEU 13 1HD1 LEU 13 -3.312 -4.086 -0.218 96 2HD1 LEU 13 2HD1 LEU 13 -3.440 -5.674 0.538 97 3HD1 LEU 13 3HD1 LEU 13 -2.999 -4.268 1.508 98 1HD2 LEU 13 1HD2 LEU 13 -4.715 -2.536 2.033 99 2HD2 LEU 13 2HD2 LEU 13 -6.351 -2.701 1.392 100 3HD2 LEU 13 3HD2 LEU 13 -5.009 -2.324 0.305 101 H ALA 14 H ALA 14 -7.968 -3.357 -1.760 102 HA ALA 14 HA ALA 14 -8.866 -5.422 -3.593 103 1HB ALA 14 1HB ALA 14 -10.873 -4.826 -2.310 104 2HB ALA 14 2HB ALA 14 -11.013 -4.384 -4.013 105 3HB ALA 14 3HB ALA 14 -10.675 -3.145 -2.805 106 H ASP 15 H ASP 15 -9.631 -4.239 -5.703 107 HA ASP 15 HA ASP 15 -7.449 -2.736 -6.675 108 1HB ASP 15 2HB ASP 15 -8.819 -4.165 -8.121 109 2HB ASP 15 1HB ASP 15 -10.206 -3.120 -7.847 110 H GLY 16 H GLY 16 -7.018 -0.666 -6.329 111 1HA GLY 16 2HA GLY 16 -7.479 1.642 -6.374 112 2HA GLY 16 1HA GLY 16 -9.197 1.282 -6.262 113 H ASP 17 H ASP 17 -6.846 -0.201 -4.169 114 HA ASP 17 HA ASP 17 -8.116 1.113 -1.878 115 1HB ASP 17 2HB ASP 17 -7.646 -1.511 -2.252 116 2HB ASP 17 1HB ASP 17 -6.143 -1.064 -1.458 117 H ASN 18 H ASN 18 -6.456 1.294 0.059 118 HA ASN 18 HA ASN 18 -3.973 2.483 -0.948 119 1HB ASN 18 2HB ASN 18 -4.285 4.330 0.775 120 2HB ASN 18 1HB ASN 18 -5.267 4.419 -0.679 121 1HD2 ASN 18 1HD2 ASN 18 -6.721 5.729 0.322 122 2HD2 ASN 18 2HD2 ASN 18 -7.872 5.153 1.476 123 H VAL 19 H VAL 19 -2.235 2.328 0.303 124 HA VAL 19 HA VAL 19 -2.491 1.129 2.968 125 HB VAL 19 HB VAL 19 -0.573 -0.382 2.515 126 1HG1 VAL 19 1HG1 VAL 19 -2.949 -0.830 0.715 127 2HG1 VAL 19 2HG1 VAL 19 -2.845 -1.252 2.424 128 3HG1 VAL 19 3HG1 VAL 19 -1.811 -2.067 1.250 129 1HG2 VAL 19 1HG2 VAL 19 0.027 -0.880 0.174 130 2HG2 VAL 19 2HG2 VAL 19 0.439 0.768 0.647 131 3HG2 VAL 19 3HG2 VAL 19 -0.985 0.467 -0.349 132 H SER 20 H SER 20 -0.210 1.111 4.020 133 HA SER 20 HA SER 20 1.559 3.196 3.087 134 1HB SER 20 2HB SER 20 0.053 3.443 5.691 135 2HB SER 20 1HB SER 20 1.445 4.431 5.269 136 HG SER 20 HG SER 20 -0.587 4.326 3.390 137 H LEU 21 H LEU 21 3.606 3.176 4.099 138 HA LEU 21 HA LEU 21 4.558 0.614 4.789 139 1HB LEU 21 2HB LEU 21 5.699 3.369 4.745 140 2HB LEU 21 1HB LEU 21 6.597 2.112 5.567 141 HG LEU 21 HG LEU 21 7.353 2.500 3.250 142 1HD1 LEU 21 1HD1 LEU 21 7.769 0.371 4.266 143 2HD1 LEU 21 2HD1 LEU 21 7.358 0.127 2.570 144 3HD1 LEU 21 3HD1 LEU 21 6.162 -0.204 3.824 145 1HD2 LEU 21 1HD2 LEU 21 4.636 1.443 2.494 146 2HD2 LEU 21 2HD2 LEU 21 5.979 1.723 1.384 147 3HD2 LEU 21 3HD2 LEU 21 5.231 3.081 2.225 148 H ILE 22 H ILE 22 4.727 -0.425 6.695 149 HA ILE 22 HA ILE 22 3.952 1.001 9.130 150 HB ILE 22 HB ILE 22 3.835 -1.138 10.222 151 1HG1 ILE 22 2HG1 ILE 22 4.925 -2.361 7.677 152 2HG1 ILE 22 1HG1 ILE 22 5.864 -2.112 9.145 153 1HG2 ILE 22 1HG2 ILE 22 1.934 -0.504 8.828 154 2HG2 ILE 22 2HG2 ILE 22 2.144 -2.254 8.860 155 3HG2 ILE 22 3HG2 ILE 22 2.663 -1.329 7.450 156 1HD1 ILE 22 1HD1 ILE 22 3.441 -3.875 8.877 157 2HD1 ILE 22 2HD1 ILE 22 4.378 -3.623 10.350 158 3HD1 ILE 22 3HD1 ILE 22 5.121 -4.410 8.957 159 H LYS 23 H LYS 23 6.719 0.462 7.477 160 HA LYS 23 HA LYS 23 8.423 1.272 9.605 161 1HB LYS 23 2HB LYS 23 9.974 -0.762 9.290 162 2HB LYS 23 1HB LYS 23 8.557 -0.973 10.308 163 1HG LYS 23 2HG LYS 23 7.486 -2.311 8.780 164 2HG LYS 23 1HG LYS 23 8.387 -1.654 7.418 165 1HD LYS 23 2HD LYS 23 9.235 -3.815 7.689 166 2HD LYS 23 1HD LYS 23 10.434 -2.775 8.452 167 1HE LYS 23 2HE LYS 23 8.256 -4.232 9.939 168 2HE LYS 23 1HE LYS 23 9.891 -4.847 9.723 169 1HZ LYS 23 1HZ LYS 23 10.666 -2.760 10.845 170 2HZ LYS 23 2HZ LYS 23 9.801 -3.833 11.836 171 3HZ LYS 23 3HZ LYS 23 9.043 -2.439 11.238 172 H ASP 24 H ASP 24 10.860 0.986 8.641 173 HA ASP 24 HA ASP 24 10.684 2.173 5.975 174 1HB ASP 24 2HB ASP 24 13.231 1.851 7.553 175 2HB ASP 24 1HB ASP 24 12.856 3.031 6.311 176 H LEU 25 H LEU 25 10.917 0.902 4.252 177 HA LEU 25 HA LEU 25 12.375 -1.638 4.570 178 1HB LEU 25 2HB LEU 25 10.033 -0.879 2.863 179 2HB LEU 25 1HB LEU 25 11.068 -2.209 2.393 180 HG LEU 25 HG LEU 25 9.114 -3.052 3.519 181 1HD1 LEU 25 1HD1 LEU 25 11.135 -4.310 3.890 182 2HD1 LEU 25 2HD1 LEU 25 10.184 -4.298 5.377 183 3HD1 LEU 25 3HD1 LEU 25 11.594 -3.251 5.223 184 1HD2 LEU 25 1HD2 LEU 25 9.936 -1.322 5.834 185 2HD2 LEU 25 2HD2 LEU 25 8.655 -2.536 5.856 186 3HD2 LEU 25 3HD2 LEU 25 8.509 -1.122 4.819 187 H LYS 26 H LYS 26 14.304 -1.642 3.673 188 HA LYS 26 HA LYS 26 14.769 0.067 1.340 189 1HB LYS 26 2HB LYS 26 16.330 0.255 3.260 190 2HB LYS 26 1HB LYS 26 16.760 -1.425 3.026 191 1HG LYS 26 2HG LYS 26 17.054 0.175 0.616 192 2HG LYS 26 1HG LYS 26 18.075 0.706 1.953 193 1HD LYS 26 2HD LYS 26 17.918 -2.112 0.883 194 2HD LYS 26 1HD LYS 26 19.199 -0.951 0.523 195 1HE LYS 26 2HE LYS 26 19.722 -0.835 2.936 196 2HE LYS 26 1HE LYS 26 18.498 -2.067 3.237 197 1HZ LYS 26 1HZ LYS 26 20.883 -2.437 1.510 198 2HZ LYS 26 2HZ LYS 26 19.745 -3.625 1.918 199 3HZ LYS 26 3HZ LYS 26 20.760 -2.973 3.114 200 H LEU 27 H LEU 27 15.139 -0.736 -0.598 201 HA LEU 27 HA LEU 27 14.642 -3.607 -0.929 202 1HB LEU 27 2HB LEU 27 14.159 -1.233 -2.713 203 2HB LEU 27 1HB LEU 27 13.979 -2.884 -3.260 204 HG LEU 27 HG LEU 27 12.387 -1.547 -1.071 205 1HD1 LEU 27 1HD1 LEU 27 10.510 -1.804 -2.614 206 2HD1 LEU 27 2HD1 LEU 27 11.601 -2.465 -3.832 207 3HD1 LEU 27 3HD1 LEU 27 11.780 -0.792 -3.303 208 1HD2 LEU 27 1HD2 LEU 27 12.732 -3.902 -0.566 209 2HD2 LEU 27 2HD2 LEU 27 12.191 -4.342 -2.185 210 3HD2 LEU 27 3HD2 LEU 27 11.061 -3.608 -1.049 211 H LYS 28 H LYS 28 15.714 -4.789 -2.536 212 HA LYS 28 HA LYS 28 18.475 -4.032 -2.940 213 1HB LYS 28 2HB LYS 28 17.948 -6.330 -2.363 214 2HB LYS 28 1HB LYS 28 16.895 -6.475 -3.763 215 1HG LYS 28 2HG LYS 28 18.843 -6.170 -5.232 216 2HG LYS 28 1HG LYS 28 19.881 -6.097 -3.806 217 1HD LYS 28 2HD LYS 28 19.287 -8.354 -3.205 218 2HD LYS 28 1HD LYS 28 18.120 -8.435 -4.527 219 1HE LYS 28 2HE LYS 28 19.940 -8.151 -6.141 220 2HE LYS 28 1HE LYS 28 21.100 -8.085 -4.816 221 1HZ LYS 28 1HZ LYS 28 19.342 -10.411 -5.374 222 2HZ LYS 28 2HZ LYS 28 20.607 -10.333 -4.245 223 3HZ LYS 28 3HZ LYS 28 20.945 -10.278 -5.903 224 H GLY 29 H GLY 29 19.470 -3.617 -4.888 225 1HA GLY 29 2HA GLY 29 18.978 -3.925 -7.429 226 2HA GLY 29 1HA GLY 29 17.675 -2.798 -7.063 227 H SER 30 H SER 30 18.500 -0.870 -5.707 228 HA SER 30 HA SER 30 21.131 0.003 -6.679 229 1HB SER 30 2HB SER 30 18.668 1.750 -6.419 230 2HB SER 30 1HB SER 30 20.259 2.265 -6.978 231 HG SER 30 HG SER 30 19.990 1.172 -8.834 232 H SER 31 H SER 31 18.701 1.520 -4.618 233 HA SER 31 HA SER 31 19.778 0.805 -2.126 234 1HB SER 31 2HB SER 31 21.627 2.336 -3.024 235 2HB SER 31 1HB SER 31 20.458 3.651 -2.923 236 HG SER 31 HG SER 31 20.808 3.756 -0.857 237 H THR 32 H THR 32 17.270 0.814 -3.193 238 HA THR 32 HA THR 32 15.875 3.275 -2.755 239 HB THR 32 HB THR 32 14.621 0.547 -3.043 240 HG1 THR 32 1HG THR 32 14.682 1.297 -5.393 241 1HG2 THR 32 1HG2 THR 32 12.850 1.825 -4.180 242 2HG2 THR 32 2HG2 THR 32 13.740 3.317 -3.875 243 3HG2 THR 32 3HG2 THR 32 13.097 2.383 -2.526 244 H VAL 33 H VAL 33 15.782 3.968 -0.676 245 HA VAL 33 HA VAL 33 15.066 2.024 1.417 246 HB VAL 33 HB VAL 33 16.066 4.850 1.829 247 1HG1 VAL 33 1HG1 VAL 33 14.852 3.846 3.709 248 2HG1 VAL 33 2HG1 VAL 33 16.555 4.105 4.085 249 3HG1 VAL 33 3HG1 VAL 33 15.974 2.486 3.698 250 1HG2 VAL 33 1HG2 VAL 33 18.271 3.889 2.285 251 2HG2 VAL 33 2HG2 VAL 33 17.767 3.591 0.620 252 3HG2 VAL 33 3HG2 VAL 33 17.673 2.298 1.815 253 H LEU 34 H LEU 34 12.847 1.929 1.348 254 HA LEU 34 HA LEU 34 11.268 4.345 1.216 255 1HB LEU 34 2HB LEU 34 10.536 1.461 1.673 256 2HB LEU 34 1HB LEU 34 9.363 2.761 1.759 257 HG LEU 34 HG LEU 34 10.278 3.318 -0.647 258 1HD1 LEU 34 1HD1 LEU 34 10.840 1.302 -1.901 259 2HD1 LEU 34 2HD1 LEU 34 10.844 0.371 -0.403 260 3HD1 LEU 34 3HD1 LEU 34 12.038 1.644 -0.653 261 1HD2 LEU 34 1HD2 LEU 34 8.469 1.979 -1.567 262 2HD2 LEU 34 2HD2 LEU 34 7.984 2.761 -0.062 263 3HD2 LEU 34 3HD2 LEU 34 8.390 1.044 -0.073 264 H LYS 35 H LYS 35 9.973 5.153 2.919 265 HA LYS 35 HA LYS 35 11.131 4.514 5.545 266 1HB LYS 35 2HB LYS 35 10.162 7.114 4.392 267 2HB LYS 35 1HB LYS 35 10.406 6.892 6.119 268 1HG LYS 35 2HG LYS 35 12.583 6.282 4.159 269 2HG LYS 35 1HG LYS 35 12.309 7.927 4.744 270 1HD LYS 35 2HD LYS 35 12.902 5.490 6.424 271 2HD LYS 35 1HD LYS 35 14.019 6.810 6.068 272 1HE LYS 35 2HE LYS 35 12.412 8.366 7.182 273 2HE LYS 35 1HE LYS 35 11.463 6.957 7.662 274 1HZ LYS 35 1HZ LYS 35 14.309 7.389 8.398 275 2HZ LYS 35 2HZ LYS 35 13.288 6.155 8.960 276 3HZ LYS 35 3HZ LYS 35 12.993 7.764 9.397 277 H ARG 36 H ARG 36 9.798 4.784 7.400 278 HA ARG 36 HA ARG 36 7.287 3.533 7.222 279 1HB ARG 36 2HB ARG 36 8.898 3.709 9.215 280 2HB ARG 36 1HB ARG 36 8.176 5.283 9.502 281 1HG ARG 36 2HG ARG 36 6.023 4.304 9.855 282 2HG ARG 36 1HG ARG 36 6.625 2.710 9.388 283 1HD ARG 36 2HD ARG 36 8.229 2.846 11.276 284 2HD ARG 36 1HD ARG 36 7.434 4.331 11.789 285 HE ARG 36 HE ARG 36 6.387 1.611 11.952 286 1HH1 ARG 36 1HH1 ARG 36 5.741 5.043 12.319 287 2HH1 ARG 36 2HH1 ARG 36 4.421 4.789 13.419 288 1HH2 ARG 36 1HH2 ARG 36 4.669 1.291 13.400 289 2HH2 ARG 36 2HH2 ARG 36 3.797 2.665 14.028 290 H GLY 37 H GLY 37 5.215 4.312 7.221 291 1HA GLY 37 2HA GLY 37 3.527 5.925 7.392 292 2HA GLY 37 1HA GLY 37 4.758 7.167 7.551 293 H THR 38 H THR 38 5.829 5.507 4.994 294 HA THR 38 HA THR 38 4.994 7.402 3.079 295 HB THR 38 HB THR 38 6.109 4.628 2.586 296 HG1 THR 38 1HG THR 38 7.690 5.664 3.658 297 1HG2 THR 38 1HG2 THR 38 5.069 5.588 0.589 298 2HG2 THR 38 2HG2 THR 38 6.824 5.539 0.420 299 3HG2 THR 38 3HG2 THR 38 6.016 7.061 0.793 300 H MET 39 H MET 39 3.009 7.606 2.292 301 HA MET 39 HA MET 39 1.140 5.429 2.431 302 1HB MET 39 2HB MET 39 0.191 7.517 2.963 303 2HB MET 39 1HB MET 39 0.909 8.295 1.557 304 1HG MET 39 2HG MET 39 -0.606 7.287 0.082 305 2HG MET 39 1HG MET 39 -1.117 6.103 1.282 306 1HE MET 39 1HE MET 39 -1.701 7.600 3.856 307 2HE MET 39 2HE MET 39 -2.828 6.477 3.098 308 3HE MET 39 3HE MET 39 -3.392 8.057 3.644 309 H ILE 40 H ILE 40 0.974 3.957 0.991 310 HA ILE 40 HA ILE 40 1.483 4.609 -1.836 311 HB ILE 40 HB ILE 40 1.229 1.860 -0.594 312 1HG1 ILE 40 2HG1 ILE 40 3.719 3.383 -1.404 313 2HG1 ILE 40 1HG1 ILE 40 3.237 2.991 0.243 314 1HG2 ILE 40 1HG2 ILE 40 2.149 2.736 -3.328 315 2HG2 ILE 40 2HG2 ILE 40 0.629 1.928 -2.947 316 3HG2 ILE 40 3HG2 ILE 40 2.159 1.079 -2.725 317 1HD1 ILE 40 1HD1 ILE 40 3.961 1.006 -1.898 318 2HD1 ILE 40 2HD1 ILE 40 3.482 0.618 -0.245 319 3HD1 ILE 40 3HD1 ILE 40 4.979 1.500 -0.546 320 H ARG 41 H ARG 41 -0.474 5.559 -2.298 321 HA ARG 41 HA ARG 41 -2.886 4.013 -1.689 322 1HB ARG 41 2HB ARG 41 -4.089 6.163 -2.260 323 2HB ARG 41 1HB ARG 41 -3.081 6.210 -0.825 324 1HG ARG 41 2HG ARG 41 -2.729 8.243 -1.943 325 2HG ARG 41 1HG ARG 41 -1.295 7.267 -2.254 326 1HD ARG 41 2HD ARG 41 -2.295 6.612 -4.438 327 2HD ARG 41 1HD ARG 41 -3.622 7.723 -4.118 328 HE ARG 41 HE ARG 41 -0.876 8.749 -4.199 329 1HH1 ARG 41 1HH1 ARG 41 -4.112 8.593 -5.512 330 2HH1 ARG 41 2HH1 ARG 41 -3.872 9.895 -6.640 331 1HH2 ARG 41 1HH2 ARG 41 -0.514 10.448 -5.708 332 2HH2 ARG 41 2HH2 ARG 41 -1.814 10.948 -6.754 333 H GLY 42 H GLY 42 -4.615 4.043 -3.372 334 1HA GLY 42 2HA GLY 42 -5.317 3.535 -5.499 335 2HA GLY 42 1HA GLY 42 -3.955 4.475 -6.096 336 H ILE 43 H ILE 43 -4.128 1.505 -4.152 337 HA ILE 43 HA ILE 43 -2.196 0.271 -5.954 338 HB ILE 43 HB ILE 43 -1.895 -1.442 -4.290 339 1HG1 ILE 43 2HG1 ILE 43 -3.206 -0.945 -2.011 340 2HG1 ILE 43 1HG1 ILE 43 -4.416 -0.345 -3.137 341 1HG2 ILE 43 1HG2 ILE 43 -2.089 1.153 -2.797 342 2HG2 ILE 43 2HG2 ILE 43 -0.837 0.810 -3.987 343 3HG2 ILE 43 3HG2 ILE 43 -0.956 -0.173 -2.526 344 1HD1 ILE 43 1HD1 ILE 43 -3.251 -3.117 -3.095 345 2HD1 ILE 43 2HD1 ILE 43 -4.450 -2.523 -4.243 346 3HD1 ILE 43 3HD1 ILE 43 -4.854 -2.645 -2.531 347 H ARG 44 H ARG 44 -2.564 -1.990 -6.588 348 HA ARG 44 HA ARG 44 -5.395 -2.740 -6.726 349 1HB ARG 44 2HB ARG 44 -4.959 -3.536 -9.101 350 2HB ARG 44 1HB ARG 44 -5.072 -1.797 -8.871 351 1HG ARG 44 2HG ARG 44 -2.657 -1.605 -8.939 352 2HG ARG 44 1HG ARG 44 -2.509 -3.358 -9.121 353 1HD ARG 44 2HD ARG 44 -3.773 -3.233 -11.227 354 2HD ARG 44 1HD ARG 44 -3.887 -1.484 -11.045 355 HE ARG 44 HE ARG 44 -1.173 -2.255 -10.976 356 1HH1 ARG 44 1HH1 ARG 44 -3.853 -2.040 -13.219 357 2HH1 ARG 44 2HH1 ARG 44 -2.842 -1.774 -14.606 358 1HH2 ARG 44 1HH2 ARG 44 0.165 -1.924 -12.771 359 2HH2 ARG 44 2HH2 ARG 44 -0.540 -1.698 -14.354 360 H LEU 45 H LEU 45 -5.681 -5.043 -7.262 361 HA LEU 45 HA LEU 45 -3.817 -6.556 -5.646 362 1HB LEU 45 2HB LEU 45 -6.314 -7.503 -7.059 363 2HB LEU 45 1HB LEU 45 -5.445 -8.349 -5.795 364 HG LEU 45 HG LEU 45 -7.019 -5.797 -5.498 365 1HD1 LEU 45 1HD1 LEU 45 -7.464 -8.573 -4.425 366 2HD1 LEU 45 2HD1 LEU 45 -8.403 -7.772 -5.685 367 3HD1 LEU 45 3HD1 LEU 45 -8.435 -7.153 -4.034 368 1HD2 LEU 45 1HD2 LEU 45 -5.448 -7.312 -3.422 369 2HD2 LEU 45 2HD2 LEU 45 -6.514 -5.938 -3.118 370 3HD2 LEU 45 3HD2 LEU 45 -5.046 -5.723 -4.074 371 H THR 46 H THR 46 -2.319 -7.920 -6.390 372 HA THR 46 HA THR 46 -1.907 -8.028 -9.263 373 HB THR 46 HB THR 46 0.264 -9.050 -8.714 374 HG1 THR 46 1HG THR 46 -0.444 -8.711 -5.966 375 1HG2 THR 46 1HG2 THR 46 -0.333 -6.605 -7.053 376 2HG2 THR 46 2HG2 THR 46 0.081 -6.614 -8.767 377 3HG2 THR 46 3HG2 THR 46 1.267 -7.140 -7.571 378 H ASP 47 H ASP 47 -0.510 -10.508 -9.352 379 HA ASP 47 HA ASP 47 -2.738 -12.367 -9.382 380 1HB ASP 47 2HB ASP 47 -0.839 -12.118 -11.160 381 2HB ASP 47 1HB ASP 47 0.112 -13.081 -10.036 382 H SER 48 H SER 48 -0.465 -11.290 -7.241 383 HA SER 48 HA SER 48 -0.221 -13.765 -5.722 384 1HB SER 48 2HB SER 48 1.026 -11.026 -5.444 385 2HB SER 48 1HB SER 48 1.325 -12.347 -4.332 386 HG SER 48 HG SER 48 2.951 -12.417 -5.806 387 H GLU 49 H GLU 49 -0.933 -13.913 -3.568 388 HA GLU 49 HA GLU 49 -3.176 -12.175 -2.870 389 1HB GLU 49 2HB GLU 49 -2.119 -14.365 -1.117 390 2HB GLU 49 1HB GLU 49 -3.763 -13.772 -1.281 391 1HG GLU 49 2HG GLU 49 -4.197 -15.073 -3.089 392 2HG GLU 49 1HG GLU 49 -2.517 -15.079 -3.628 393 H ASP 50 H ASP 50 0.125 -12.636 -2.138 394 HA ASP 50 HA ASP 50 -0.072 -11.226 0.420 395 1HB ASP 50 2HB ASP 50 2.148 -12.865 -0.815 396 2HB ASP 50 1HB ASP 50 2.301 -12.001 0.713 397 H GLU 51 H GLU 51 0.239 -10.436 -2.682 398 HA GLU 51 HA GLU 51 2.027 -8.188 -2.120 399 1HB GLU 51 2HB GLU 51 2.134 -10.025 -4.492 400 2HB GLU 51 1HB GLU 51 2.818 -8.418 -4.535 401 1HG GLU 51 2HG GLU 51 4.683 -9.213 -3.678 402 2HG GLU 51 1HG GLU 51 3.801 -9.635 -2.213 403 H ILE 52 H ILE 52 1.518 -6.315 -3.040 404 HA ILE 52 HA ILE 52 -0.693 -6.233 -4.971 405 HB ILE 52 HB ILE 52 -1.377 -4.032 -3.914 406 1HG1 ILE 52 2HG1 ILE 52 -0.852 -4.170 -1.314 407 2HG1 ILE 52 1HG1 ILE 52 0.591 -4.992 -1.883 408 1HG2 ILE 52 1HG2 ILE 52 -1.769 -6.549 -2.317 409 2HG2 ILE 52 2HG2 ILE 52 -2.720 -6.029 -3.709 410 3HG2 ILE 52 3HG2 ILE 52 -2.766 -5.099 -2.211 411 1HD1 ILE 52 1HD1 ILE 52 -0.281 -2.236 -2.719 412 2HD1 ILE 52 2HD1 ILE 52 1.195 -3.064 -3.216 413 3HD1 ILE 52 3HD1 ILE 52 0.967 -2.606 -1.528 414 H GLU 53 H GLU 53 -0.633 -4.355 -6.363 415 HA GLU 53 HA GLU 53 2.057 -3.173 -6.504 416 1HB GLU 53 2HB GLU 53 1.472 -4.598 -8.438 417 2HB GLU 53 1HB GLU 53 0.075 -3.583 -8.733 418 1HG GLU 53 2HG GLU 53 1.643 -1.650 -9.011 419 2HG GLU 53 1HG GLU 53 2.966 -2.812 -8.953 420 H GLY 54 H GLY 54 2.179 -1.043 -6.222 421 1HA GLY 54 2HA GLY 54 -0.300 0.510 -6.494 422 2HA GLY 54 1HA GLY 54 0.582 0.549 -4.978 423 H ARG 55 H ARG 55 0.676 2.811 -5.320 424 HA ARG 55 HA ARG 55 3.037 3.597 -6.820 425 1HB ARG 55 2HB ARG 55 1.708 5.567 -7.755 426 2HB ARG 55 1HB ARG 55 1.450 3.995 -8.504 427 1HG ARG 55 2HG ARG 55 -0.544 3.746 -6.991 428 2HG ARG 55 1HG ARG 55 -0.345 5.453 -6.601 429 1HD ARG 55 2HD ARG 55 -0.841 6.139 -8.753 430 2HD ARG 55 1HD ARG 55 -0.474 4.561 -9.447 431 HE ARG 55 HE ARG 55 -2.587 3.981 -7.921 432 1HH1 ARG 55 1HH1 ARG 55 -2.034 6.622 -10.153 433 2HH1 ARG 55 2HH1 ARG 55 -3.700 6.720 -10.651 434 1HH2 ARG 55 1HH2 ARG 55 -4.783 4.096 -8.569 435 2HH2 ARG 55 2HH2 ARG 55 -5.269 5.290 -9.739 436 H THR 56 H THR 56 3.999 5.366 -6.009 437 HA THR 56 HA THR 56 2.894 6.440 -3.502 438 HB THR 56 HB THR 56 5.216 6.948 -2.841 439 HG1 THR 56 1HG THR 56 6.324 5.356 -4.817 440 1HG2 THR 56 1HG2 THR 56 6.012 4.662 -2.490 441 2HG2 THR 56 2HG2 THR 56 4.872 4.075 -3.699 442 3HG2 THR 56 3HG2 THR 56 4.276 4.779 -2.194 443 H ASP 57 H ASP 57 4.404 8.680 -3.200 444 HA ASP 57 HA ASP 57 3.347 10.419 -5.230 445 1HB ASP 57 2HB ASP 57 5.099 10.986 -2.829 446 2HB ASP 57 1HB ASP 57 4.417 12.225 -3.880 447 H LYS 58 H LYS 58 5.748 8.405 -5.510 448 HA LYS 58 HA LYS 58 7.123 10.077 -7.439 449 1HB LYS 58 2HB LYS 58 8.476 10.188 -5.341 450 2HB LYS 58 1HB LYS 58 8.643 8.443 -5.398 451 1HG LYS 58 2HG LYS 58 10.001 8.504 -7.273 452 2HG LYS 58 1HG LYS 58 9.475 10.129 -7.709 453 1HD LYS 58 2HD LYS 58 11.086 9.482 -5.243 454 2HD LYS 58 1HD LYS 58 11.796 10.002 -6.774 455 1HE LYS 58 2HE LYS 58 10.472 12.078 -6.652 456 2HE LYS 58 1HE LYS 58 9.826 11.559 -5.095 457 1HZ LYS 58 1HZ LYS 58 11.719 13.145 -4.964 458 2HZ LYS 58 2HZ LYS 58 12.723 11.949 -5.628 459 3HZ LYS 58 3HZ LYS 58 11.979 11.693 -4.127 460 H ILE 59 H ILE 59 7.103 6.849 -5.942 461 HA ILE 59 HA ILE 59 7.853 5.638 -8.490 462 HB ILE 59 HB ILE 59 7.355 4.128 -5.934 463 1HG1 ILE 59 2HG1 ILE 59 8.900 5.973 -5.391 464 2HG1 ILE 59 1HG1 ILE 59 9.730 4.419 -5.357 465 1HG2 ILE 59 1HG2 ILE 59 7.606 2.817 -7.947 466 2HG2 ILE 59 2HG2 ILE 59 9.000 2.585 -6.890 467 3HG2 ILE 59 3HG2 ILE 59 9.133 3.622 -8.311 468 1HD1 ILE 59 1HD1 ILE 59 11.105 6.117 -6.388 469 2HD1 ILE 59 2HD1 ILE 59 9.839 6.456 -7.566 470 3HD1 ILE 59 3HD1 ILE 59 10.656 4.892 -7.575 471 H LYS 60 H LYS 60 6.135 5.442 -9.805 472 HA LYS 60 HA LYS 60 3.621 4.416 -8.717 473 1HB LYS 60 2HB LYS 60 2.770 4.963 -11.060 474 2HB LYS 60 1HB LYS 60 3.229 6.329 -10.050 475 1HG LYS 60 2HG LYS 60 4.823 6.969 -11.458 476 2HG LYS 60 1HG LYS 60 5.442 5.326 -11.619 477 1HD LYS 60 2HD LYS 60 2.983 6.339 -13.046 478 2HD LYS 60 1HD LYS 60 4.600 6.358 -13.752 479 1HE LYS 60 2HE LYS 60 4.717 3.903 -13.428 480 2HE LYS 60 1HE LYS 60 3.058 3.930 -12.836 481 1HZ LYS 60 1HZ LYS 60 3.888 4.849 -15.537 482 2HZ LYS 60 2HZ LYS 60 2.299 4.690 -14.962 483 3HZ LYS 60 3HZ LYS 60 3.257 3.309 -15.201 484 H GLY 61 H GLY 61 3.043 2.358 -9.004 485 1HA GLY 61 2HA GLY 61 2.678 0.401 -10.215 486 2HA GLY 61 1HA GLY 61 3.795 0.972 -11.443 487 H LEU 62 H LEU 62 4.229 0.473 -7.941 488 HA LEU 62 HA LEU 62 6.359 -1.419 -8.642 489 1HB LEU 62 2HB LEU 62 7.598 -0.786 -6.773 490 2HB LEU 62 1HB LEU 62 6.993 0.732 -7.402 491 HG LEU 62 HG LEU 62 5.750 -0.728 -5.075 492 1HD1 LEU 62 1HD1 LEU 62 6.881 0.930 -3.667 493 2HD1 LEU 62 2HD1 LEU 62 7.711 1.566 -5.086 494 3HD1 LEU 62 3HD1 LEU 62 8.038 -0.078 -4.536 495 1HD2 LEU 62 1HD2 LEU 62 4.723 1.474 -4.628 496 2HD2 LEU 62 2HD2 LEU 62 4.216 0.794 -6.172 497 3HD2 LEU 62 3HD2 LEU 62 5.420 2.083 -6.130 498 H VAL 63 H VAL 63 6.274 -3.436 -7.853 499 HA VAL 63 HA VAL 63 3.772 -4.217 -6.565 500 HB VAL 63 HB VAL 63 5.917 -6.000 -7.732 501 1HG1 VAL 63 1HG1 VAL 63 4.175 -7.732 -7.678 502 2HG1 VAL 63 2HG1 VAL 63 3.087 -6.598 -6.877 503 3HG1 VAL 63 3HG1 VAL 63 4.559 -7.131 -6.065 504 1HG2 VAL 63 1HG2 VAL 63 3.313 -5.099 -8.955 505 2HG2 VAL 63 2HG2 VAL 63 4.432 -6.273 -9.648 506 3HG2 VAL 63 3HG2 VAL 63 4.925 -4.590 -9.457 507 H LEU 64 H LEU 64 3.733 -4.403 -4.464 508 HA LEU 64 HA LEU 64 6.157 -5.392 -3.128 509 1HB LEU 64 2HB LEU 64 4.491 -3.030 -2.351 510 2HB LEU 64 1HB LEU 64 5.457 -3.901 -1.173 511 HG LEU 64 HG LEU 64 6.626 -2.704 -3.679 512 1HD1 LEU 64 1HD1 LEU 64 5.696 -0.902 -2.381 513 2HD1 LEU 64 2HD1 LEU 64 7.451 -0.907 -2.205 514 3HD1 LEU 64 3HD1 LEU 64 6.433 -1.537 -0.908 515 1HD2 LEU 64 1HD2 LEU 64 7.995 -4.432 -2.805 516 2HD2 LEU 64 2HD2 LEU 64 7.754 -3.884 -1.147 517 3HD2 LEU 64 3HD2 LEU 64 8.713 -2.911 -2.270 518 H ARG 65 H ARG 65 5.902 -6.947 -1.789 519 HA ARG 65 HA ARG 65 3.537 -8.189 -1.060 520 1HB ARG 65 2HB ARG 65 4.981 -8.894 0.998 521 2HB ARG 65 1HB ARG 65 5.413 -9.451 -0.609 522 1HG ARG 65 2HG ARG 65 7.064 -7.663 -0.774 523 2HG ARG 65 1HG ARG 65 6.666 -7.122 0.848 524 1HD ARG 65 2HD ARG 65 8.598 -8.492 1.061 525 2HD ARG 65 1HD ARG 65 7.251 -9.507 1.585 526 HE ARG 65 HE ARG 65 8.781 -9.763 -0.903 527 1HH1 ARG 65 1HH1 ARG 65 6.334 -11.060 1.266 528 2HH1 ARG 65 2HH1 ARG 65 6.058 -12.474 0.283 529 1HH2 ARG 65 1HH2 ARG 65 8.418 -11.655 -2.157 530 2HH2 ARG 65 2HH2 ARG 65 7.229 -12.810 -1.623 531 H THR 66 H THR 66 2.028 -7.798 0.407 532 HA THR 66 HA THR 66 2.086 -5.173 1.645 533 HB THR 66 HB THR 66 0.135 -5.796 0.330 534 HG1 THR 66 1HG THR 66 -0.381 -5.628 3.127 535 1HG2 THR 66 1HG2 THR 66 -0.254 -8.008 2.342 536 2HG2 THR 66 2HG2 THR 66 0.208 -8.208 0.652 537 3HG2 THR 66 3HG2 THR 66 -1.384 -7.568 1.060 538 H GLU 67 H GLU 67 3.754 -7.333 2.740 539 HA GLU 67 HA GLU 67 2.394 -8.211 5.173 540 1HB GLU 67 2HB GLU 67 5.310 -8.599 4.548 541 2HB GLU 67 1HB GLU 67 4.247 -9.617 5.516 542 1HG GLU 67 2HG GLU 67 3.029 -10.219 3.478 543 2HG GLU 67 1HG GLU 67 4.164 -9.270 2.535 544 H PHE 68 H PHE 68 4.296 -5.712 4.052 545 HA PHE 68 HA PHE 68 4.801 -4.798 6.799 546 1HB PHE 68 2HB PHE 68 6.734 -3.532 5.910 547 2HB PHE 68 1HB PHE 68 6.898 -5.276 5.711 548 HD1 PHE 68 1HD PHE 68 6.104 -2.146 3.905 549 HD2 PHE 68 2HD PHE 68 7.243 -6.235 3.619 550 HE1 PHE 68 1HE PHE 68 6.598 -1.839 1.513 551 HE2 PHE 68 2HE PHE 68 7.738 -5.934 1.229 552 HZ PHE 68 HZ PHE 68 7.417 -3.734 0.174 553 H LEU 69 H LEU 69 2.530 -4.474 4.839 554 HA LEU 69 HA LEU 69 2.531 -1.534 4.751 555 1HB LEU 69 2HB LEU 69 1.071 -3.454 2.943 556 2HB LEU 69 1HB LEU 69 0.943 -1.710 2.878 557 HG LEU 69 HG LEU 69 3.477 -3.264 2.352 558 1HD1 LEU 69 1HD1 LEU 69 1.578 -1.928 0.431 559 2HD1 LEU 69 2HD1 LEU 69 1.803 -3.666 0.626 560 3HD1 LEU 69 3HD1 LEU 69 3.123 -2.668 0.014 561 1HD2 LEU 69 1HD2 LEU 69 4.302 -1.114 1.503 562 2HD2 LEU 69 2HD2 LEU 69 3.902 -1.040 3.219 563 3HD2 LEU 69 3HD2 LEU 69 2.805 -0.341 2.028 564 H LYS 70 H LYS 70 0.692 -0.489 5.316 565 HA LYS 70 HA LYS 70 -1.242 -2.065 6.876 566 1HB LYS 70 2HB LYS 70 0.437 -0.076 7.766 567 2HB LYS 70 1HB LYS 70 -1.033 0.820 7.423 568 1HG LYS 70 2HG LYS 70 -0.547 -1.339 9.415 569 2HG LYS 70 1HG LYS 70 -1.300 0.243 9.639 570 1HD LYS 70 2HD LYS 70 -3.203 -0.578 8.225 571 2HD LYS 70 1HD LYS 70 -2.466 -2.173 8.270 572 1HE LYS 70 2HE LYS 70 -2.615 -2.159 10.722 573 2HE LYS 70 1HE LYS 70 -3.412 -0.587 10.650 574 1HZ LYS 70 1HZ LYS 70 -4.989 -2.418 10.882 575 2HZ LYS 70 2HZ LYS 70 -4.449 -3.079 9.421 576 3HZ LYS 70 3HZ LYS 70 -5.232 -1.577 9.427 577 H LYS 71 H LYS 71 -3.280 -2.020 6.098 578 HA LYS 71 HA LYS 71 -4.065 -0.400 3.925 579 1HB LYS 71 2HB LYS 71 -5.158 -2.555 4.531 580 2HB LYS 71 1HB LYS 71 -5.836 -1.785 5.957 581 1HG LYS 71 2HG LYS 71 -6.385 -0.636 3.256 582 2HG LYS 71 1HG LYS 71 -7.271 -2.057 3.803 583 1HD LYS 71 2HD LYS 71 -8.039 -0.839 5.769 584 2HD LYS 71 1HD LYS 71 -7.109 0.574 5.271 585 1HE LYS 71 2HE LYS 71 -9.364 -0.667 3.699 586 2HE LYS 71 1HE LYS 71 -9.504 0.764 4.718 587 1HZ LYS 71 1HZ LYS 71 -7.838 0.489 2.267 588 2HZ LYS 71 2HZ LYS 71 -7.831 1.846 3.286 589 3HZ LYS 71 3HZ LYS 71 -9.241 1.423 2.448 590 H ALA 72 H ALA 72 -4.642 1.664 3.886 591 HA ALA 72 HA ALA 72 -4.478 3.179 6.316 592 1HB ALA 72 1HB ALA 72 -4.750 5.137 4.878 593 2HB ALA 72 2HB ALA 72 -5.128 4.088 3.512 594 3HB ALA 72 3HB ALA 72 -3.523 4.039 4.243 595 H GLY 73 H GLY 73 -6.081 3.604 7.647 596 1HA GLY 73 2HA GLY 73 -8.287 4.687 7.865 597 2HA GLY 73 1HA GLY 73 -8.835 3.619 6.581 598 H SER 74 H SER 74 -7.522 1.268 7.533 599 HA SER 74 HA SER 74 -8.937 0.774 10.056 600 1HB SER 74 2HB SER 74 -8.923 -1.075 7.654 601 2HB SER 74 1HB SER 74 -9.707 -1.391 9.202 602 HG SER 74 HG SER 74 -10.777 0.786 8.630 Start of MODEL 5 1 1H MET 1 1HT MET 1 -11.566 -19.979 -6.428 2 2H MET 1 2HT MET 1 -11.371 -20.169 -8.102 3 3H MET 1 3HT MET 1 -12.388 -18.952 -7.501 4 HA MET 1 HA MET 1 -9.450 -19.109 -7.195 5 1HB MET 1 2HB MET 1 -10.139 -18.442 -9.443 6 2HB MET 1 1HB MET 1 -11.212 -17.221 -8.775 7 1HG MET 1 2HG MET 1 -9.154 -16.243 -9.633 8 2HG MET 1 1HG MET 1 -9.319 -15.993 -7.896 9 1HE MET 1 1HE MET 1 -7.519 -18.032 -10.724 10 2HE MET 1 2HE MET 1 -8.236 -19.313 -9.747 11 3HE MET 1 3HE MET 1 -6.484 -19.114 -9.792 12 H SER 2 H SER 2 -9.086 -18.608 -5.142 13 HA SER 2 HA SER 2 -10.283 -16.119 -4.126 14 1HB SER 2 2HB SER 2 -9.813 -18.637 -2.511 15 2HB SER 2 1HB SER 2 -10.470 -17.118 -1.902 16 HG SER 2 HG SER 2 -12.257 -18.242 -2.329 17 H ILE 3 H ILE 3 -8.344 -15.102 -4.797 18 HA ILE 3 HA ILE 3 -5.967 -15.784 -3.209 19 HB ILE 3 HB ILE 3 -4.724 -14.332 -4.824 20 1HG1 ILE 3 2HG1 ILE 3 -7.358 -14.393 -6.317 21 2HG1 ILE 3 1HG1 ILE 3 -6.564 -12.973 -5.656 22 1HG2 ILE 3 1HG2 ILE 3 -6.176 -16.708 -5.983 23 2HG2 ILE 3 2HG2 ILE 3 -4.700 -16.749 -5.018 24 3HG2 ILE 3 3HG2 ILE 3 -4.688 -16.006 -6.619 25 1HD1 ILE 3 1HD1 ILE 3 -6.280 -13.119 -8.065 26 2HD1 ILE 3 2HD1 ILE 3 -5.500 -14.691 -7.883 27 3HD1 ILE 3 3HD1 ILE 3 -4.733 -13.245 -7.226 28 H GLU 4 H GLU 4 -7.820 -14.654 -1.766 29 HA GLU 4 HA GLU 4 -8.171 -11.911 -1.770 30 1HB GLU 4 2HB GLU 4 -8.155 -13.879 0.511 31 2HB GLU 4 1HB GLU 4 -8.652 -12.202 0.679 32 1HG GLU 4 2HG GLU 4 -10.460 -12.512 -0.839 33 2HG GLU 4 1HG GLU 4 -9.902 -14.132 -1.239 34 H VAL 5 H VAL 5 -6.960 -10.256 -1.312 35 HA VAL 5 HA VAL 5 -4.309 -10.723 -0.115 36 HB VAL 5 HB VAL 5 -5.092 -8.281 -1.698 37 1HG1 VAL 5 1HG1 VAL 5 -2.422 -9.568 -1.143 38 2HG1 VAL 5 2HG1 VAL 5 -3.073 -8.147 -0.324 39 3HG1 VAL 5 3HG1 VAL 5 -2.691 -8.073 -2.045 40 1HG2 VAL 5 1HG2 VAL 5 -4.237 -9.262 -3.708 41 2HG2 VAL 5 2HG2 VAL 5 -5.480 -10.336 -3.063 42 3HG2 VAL 5 3HG2 VAL 5 -3.773 -10.736 -2.852 43 H ARG 6 H ARG 6 -3.822 -9.735 1.790 44 HA ARG 6 HA ARG 6 -5.576 -7.551 2.694 45 1HB ARG 6 2HB ARG 6 -4.579 -9.593 4.657 46 2HB ARG 6 1HB ARG 6 -5.893 -8.444 4.834 47 1HG ARG 6 2HG ARG 6 -7.164 -10.273 4.518 48 2HG ARG 6 1HG ARG 6 -6.846 -9.938 2.815 49 1HD ARG 6 2HD ARG 6 -5.000 -11.474 2.791 50 2HD ARG 6 1HD ARG 6 -5.144 -11.738 4.526 51 HE ARG 6 HE ARG 6 -7.563 -12.512 3.626 52 1HH1 ARG 6 1HH1 ARG 6 -4.306 -13.253 2.553 53 2HH1 ARG 6 2HH1 ARG 6 -4.703 -14.873 2.053 54 1HH2 ARG 6 1HH2 ARG 6 -8.081 -14.662 2.973 55 2HH2 ARG 6 2HH2 ARG 6 -6.833 -15.664 2.293 56 H ASP 7 H ASP 7 -4.618 -6.346 4.549 57 HA ASP 7 HA ASP 7 -1.856 -5.703 3.979 58 1HB ASP 7 2HB ASP 7 -2.194 -3.793 5.284 59 2HB ASP 7 1HB ASP 7 -3.801 -4.098 4.643 60 H CYS 8 H CYS 8 -0.855 -4.979 6.430 61 HA CYS 8 HA CYS 8 0.240 -7.375 7.399 62 1HB CYS 8 2HB CYS 8 1.152 -5.939 9.224 63 2HB CYS 8 1HB CYS 8 1.437 -5.292 7.613 64 HG CYS 8 HG CYS 8 -1.284 -3.877 8.299 65 H ASN 9 H ASN 9 -2.552 -5.492 8.457 66 HA ASN 9 HA ASN 9 -2.803 -6.923 10.940 67 1HB ASN 9 2HB ASN 9 -4.562 -4.930 9.517 68 2HB ASN 9 1HB ASN 9 -5.000 -5.679 11.037 69 1HD2 ASN 9 1HD2 ASN 9 -2.119 -5.657 11.865 70 2HD2 ASN 9 2HD2 ASN 9 -1.821 -4.030 12.350 71 H GLY 10 H GLY 10 -4.368 -6.922 7.774 72 1HA GLY 10 2HA GLY 10 -4.986 -9.261 7.071 73 2HA GLY 10 1HA GLY 10 -5.818 -9.359 8.616 74 H ALA 11 H ALA 11 -5.899 -6.327 7.016 75 HA ALA 11 HA ALA 11 -8.742 -6.694 6.458 76 1HB ALA 11 1HB ALA 11 -8.112 -4.683 7.649 77 2HB ALA 11 2HB ALA 11 -8.728 -4.257 6.052 78 3HB ALA 11 3HB ALA 11 -6.993 -4.239 6.361 79 H LEU 12 H LEU 12 -9.592 -6.777 4.452 80 HA LEU 12 HA LEU 12 -7.824 -7.675 2.409 81 1HB LEU 12 2HB LEU 12 -10.792 -7.243 2.560 82 2HB LEU 12 1HB LEU 12 -10.009 -7.751 1.074 83 HG LEU 12 HG LEU 12 -9.584 -9.307 3.609 84 1HD1 LEU 12 1HD1 LEU 12 -11.874 -9.628 1.661 85 2HD1 LEU 12 2HD1 LEU 12 -12.009 -9.118 3.344 86 3HD1 LEU 12 3HD1 LEU 12 -11.459 -10.749 2.959 87 1HD2 LEU 12 1HD2 LEU 12 -9.152 -11.101 2.066 88 2HD2 LEU 12 2HD2 LEU 12 -8.173 -9.702 1.624 89 3HD2 LEU 12 3HD2 LEU 12 -9.624 -10.091 0.700 90 H LEU 13 H LEU 13 -7.314 -6.810 0.475 91 HA LEU 13 HA LEU 13 -7.738 -3.908 0.199 92 1HB LEU 13 2HB LEU 13 -5.543 -5.682 -0.884 93 2HB LEU 13 1HB LEU 13 -5.689 -3.963 -1.198 94 HG LEU 13 HG LEU 13 -5.324 -5.132 1.559 95 1HD1 LEU 13 1HD1 LEU 13 -3.278 -3.928 -0.302 96 2HD1 LEU 13 2HD1 LEU 13 -3.375 -5.622 0.179 97 3HD1 LEU 13 3HD1 LEU 13 -3.003 -4.385 1.380 98 1HD2 LEU 13 1HD2 LEU 13 -5.051 -2.319 0.504 99 2HD2 LEU 13 2HD2 LEU 13 -4.770 -2.841 2.167 100 3HD2 LEU 13 3HD2 LEU 13 -6.391 -2.928 1.477 101 H ALA 14 H ALA 14 -7.507 -3.212 -2.190 102 HA ALA 14 HA ALA 14 -8.330 -5.034 -4.229 103 1HB ALA 14 1HB ALA 14 -10.501 -4.069 -4.719 104 2HB ALA 14 2HB ALA 14 -10.349 -2.967 -3.351 105 3HB ALA 14 3HB ALA 14 -10.484 -4.704 -3.074 106 H ASP 15 H ASP 15 -8.919 -3.665 -6.291 107 HA ASP 15 HA ASP 15 -6.828 -1.853 -6.814 108 1HB ASP 15 2HB ASP 15 -8.072 -3.112 -8.574 109 2HB ASP 15 1HB ASP 15 -9.455 -2.057 -8.306 110 H GLY 16 H GLY 16 -6.570 0.202 -6.327 111 1HA GLY 16 2HA GLY 16 -7.170 2.454 -6.099 112 2HA GLY 16 1HA GLY 16 -8.863 1.981 -6.091 113 H ASP 17 H ASP 17 -6.879 0.123 -4.049 114 HA ASP 17 HA ASP 17 -8.087 1.371 -1.712 115 1HB ASP 17 2HB ASP 17 -7.671 -1.231 -2.281 116 2HB ASP 17 1HB ASP 17 -6.197 -0.891 -1.385 117 H ASN 18 H ASN 18 -6.501 1.437 0.285 118 HA ASN 18 HA ASN 18 -4.038 2.784 -0.646 119 1HB ASN 18 2HB ASN 18 -5.839 3.645 1.595 120 2HB ASN 18 1HB ASN 18 -4.257 4.311 1.317 121 1HD2 ASN 18 1HD2 ASN 18 -6.368 3.549 -1.354 122 2HD2 ASN 18 2HD2 ASN 18 -6.722 5.190 -1.784 123 H VAL 19 H VAL 19 -2.266 2.567 0.588 124 HA VAL 19 HA VAL 19 -2.372 1.113 3.103 125 HB VAL 19 HB VAL 19 -0.526 -0.406 2.477 126 1HG1 VAL 19 1HG1 VAL 19 -2.943 -0.727 0.701 127 2HG1 VAL 19 2HG1 VAL 19 -2.852 -1.192 2.401 128 3HG1 VAL 19 3HG1 VAL 19 -1.836 -2.004 1.209 129 1HG2 VAL 19 1HG2 VAL 19 0.464 0.815 0.655 130 2HG2 VAL 19 2HG2 VAL 19 -1.004 0.642 -0.308 131 3HG2 VAL 19 3HG2 VAL 19 -0.032 -0.777 0.082 132 H SER 20 H SER 20 -0.053 1.050 4.047 133 HA SER 20 HA SER 20 1.691 3.162 3.132 134 1HB SER 20 2HB SER 20 0.192 3.374 5.745 135 2HB SER 20 1HB SER 20 1.611 4.340 5.362 136 HG SER 20 HG SER 20 -0.397 4.334 3.457 137 H LEU 21 H LEU 21 3.716 3.210 4.270 138 HA LEU 21 HA LEU 21 4.677 0.614 4.920 139 1HB LEU 21 2HB LEU 21 5.827 3.368 4.820 140 2HB LEU 21 1HB LEU 21 6.735 2.109 5.629 141 HG LEU 21 HG LEU 21 7.421 2.493 3.274 142 1HD1 LEU 21 1HD1 LEU 21 7.926 0.400 4.292 143 2HD1 LEU 21 2HD1 LEU 21 7.401 0.093 2.638 144 3HD1 LEU 21 3HD1 LEU 21 6.300 -0.206 3.985 145 1HD2 LEU 21 1HD2 LEU 21 6.010 1.667 1.465 146 2HD2 LEU 21 2HD2 LEU 21 5.236 3.006 2.315 147 3HD2 LEU 21 3HD2 LEU 21 4.711 1.349 2.617 148 H ILE 22 H ILE 22 4.822 -0.391 6.833 149 HA ILE 22 HA ILE 22 4.067 1.073 9.253 150 HB ILE 22 HB ILE 22 3.964 -1.095 10.360 151 1HG1 ILE 22 2HG1 ILE 22 4.854 -2.270 7.715 152 2HG1 ILE 22 1HG1 ILE 22 5.860 -2.151 9.155 153 1HG2 ILE 22 1HG2 ILE 22 2.013 -0.335 9.108 154 2HG2 ILE 22 2HG2 ILE 22 2.142 -2.093 9.087 155 3HG2 ILE 22 3HG2 ILE 22 2.612 -1.158 7.668 156 1HD1 ILE 22 1HD1 ILE 22 3.332 -3.761 8.888 157 2HD1 ILE 22 2HD1 ILE 22 4.327 -3.640 10.339 158 3HD1 ILE 22 3HD1 ILE 22 4.981 -4.390 8.883 159 H LYS 23 H LYS 23 6.847 0.245 7.629 160 HA LYS 23 HA LYS 23 8.521 1.096 9.800 161 1HB LYS 23 2HB LYS 23 10.029 -0.985 9.459 162 2HB LYS 23 1HB LYS 23 8.617 -1.137 10.495 163 1HG LYS 23 2HG LYS 23 7.528 -2.507 9.048 164 2HG LYS 23 1HG LYS 23 8.301 -1.812 7.628 165 1HD LYS 23 2HD LYS 23 9.097 -4.054 7.905 166 2HD LYS 23 1HD LYS 23 10.411 -2.947 8.289 167 1HE LYS 23 2HE LYS 23 8.643 -4.213 10.376 168 2HE LYS 23 1HE LYS 23 10.152 -4.928 9.819 169 1HZ LYS 23 1HZ LYS 23 9.765 -2.396 11.306 170 2HZ LYS 23 2HZ LYS 23 11.211 -2.746 10.492 171 3HZ LYS 23 3HZ LYS 23 10.687 -3.748 11.755 172 H ASP 24 H ASP 24 10.931 0.931 8.964 173 HA ASP 24 HA ASP 24 10.910 2.090 6.304 174 1HB ASP 24 2HB ASP 24 13.391 1.556 7.922 175 2HB ASP 24 1HB ASP 24 13.150 2.750 6.668 176 H LEU 25 H LEU 25 11.118 0.914 4.543 177 HA LEU 25 HA LEU 25 12.568 -1.649 4.688 178 1HB LEU 25 2HB LEU 25 10.215 -0.815 3.007 179 2HB LEU 25 1HB LEU 25 11.231 -2.158 2.543 180 HG LEU 25 HG LEU 25 9.237 -2.978 3.614 181 1HD1 LEU 25 1HD1 LEU 25 11.225 -4.279 4.009 182 2HD1 LEU 25 2HD1 LEU 25 10.216 -4.288 5.459 183 3HD1 LEU 25 3HD1 LEU 25 11.653 -3.267 5.389 184 1HD2 LEU 25 1HD2 LEU 25 10.028 -1.265 5.955 185 2HD2 LEU 25 2HD2 LEU 25 8.766 -2.497 5.983 186 3HD2 LEU 25 3HD2 LEU 25 8.600 -1.091 4.939 187 H LYS 26 H LYS 26 14.529 -1.395 3.866 188 HA LYS 26 HA LYS 26 14.990 0.635 1.821 189 1HB LYS 26 2HB LYS 26 16.495 0.530 3.762 190 2HB LYS 26 1HB LYS 26 16.926 -1.113 3.338 191 1HG LYS 26 2HG LYS 26 17.365 0.701 1.134 192 2HG LYS 26 1HG LYS 26 18.249 1.188 2.581 193 1HD LYS 26 2HD LYS 26 18.321 -1.570 1.354 194 2HD LYS 26 1HD LYS 26 19.546 -0.324 1.113 195 1HE LYS 26 2HE LYS 26 18.769 -1.523 3.770 196 2HE LYS 26 1HE LYS 26 20.194 -1.965 2.830 197 1HZ LYS 26 1HZ LYS 26 20.927 0.379 3.021 198 2HZ LYS 26 2HZ LYS 26 20.832 -0.420 4.511 199 3HZ LYS 26 3HZ LYS 26 19.622 0.676 4.068 200 H LEU 27 H LEU 27 15.823 0.203 -0.195 201 HA LEU 27 HA LEU 27 15.334 -2.510 -1.176 202 1HB LEU 27 2HB LEU 27 15.619 0.154 -2.548 203 2HB LEU 27 1HB LEU 27 15.499 -1.353 -3.420 204 HG LEU 27 HG LEU 27 13.388 -0.175 -1.614 205 1HD1 LEU 27 1HD1 LEU 27 13.622 1.005 -3.731 206 2HD1 LEU 27 2HD1 LEU 27 12.112 0.097 -3.676 207 3HD1 LEU 27 3HD1 LEU 27 13.478 -0.518 -4.608 208 1HD2 LEU 27 1HD2 LEU 27 11.970 -2.011 -2.401 209 2HD2 LEU 27 2HD2 LEU 27 13.369 -2.609 -1.507 210 3HD2 LEU 27 3HD2 LEU 27 13.343 -2.698 -3.269 211 H LYS 28 H LYS 28 16.890 -3.692 -2.230 212 HA LYS 28 HA LYS 28 19.619 -2.930 -1.690 213 1HB LYS 28 2HB LYS 28 20.171 -5.161 -2.671 214 2HB LYS 28 1HB LYS 28 19.114 -5.209 -1.274 215 1HG LYS 28 2HG LYS 28 18.206 -6.758 -2.713 216 2HG LYS 28 1HG LYS 28 17.197 -5.337 -2.955 217 1HD LYS 28 2HD LYS 28 18.444 -4.776 -4.968 218 2HD LYS 28 1HD LYS 28 19.502 -6.163 -4.715 219 1HE LYS 28 2HE LYS 28 16.523 -6.333 -5.138 220 2HE LYS 28 1HE LYS 28 17.726 -6.553 -6.407 221 1HZ LYS 28 1HZ LYS 28 18.633 -8.424 -5.160 222 2HZ LYS 28 2HZ LYS 28 16.997 -8.673 -5.536 223 3HZ LYS 28 3HZ LYS 28 17.445 -8.226 -3.964 224 H GLY 29 H GLY 29 21.305 -3.055 -3.353 225 1HA GLY 29 2HA GLY 29 21.975 -2.981 -5.650 226 2HA GLY 29 1HA GLY 29 20.346 -2.473 -6.075 227 H SER 30 H SER 30 19.866 -0.396 -4.444 228 HA SER 30 HA SER 30 22.105 1.457 -4.739 229 1HB SER 30 2HB SER 30 20.396 3.195 -5.527 230 2HB SER 30 1HB SER 30 20.874 1.963 -6.693 231 HG SER 30 HG SER 30 18.731 1.162 -5.209 232 H SER 31 H SER 31 21.214 3.706 -3.711 233 HA SER 31 HA SER 31 20.867 2.951 -0.949 234 1HB SER 31 2HB SER 31 21.210 5.506 -0.678 235 2HB SER 31 1HB SER 31 22.561 4.535 -1.271 236 HG SER 31 HG SER 31 20.858 6.280 -2.695 237 H THR 32 H THR 32 18.495 2.474 -2.398 238 HA THR 32 HA THR 32 16.725 4.717 -1.828 239 HB THR 32 HB THR 32 16.049 2.019 -3.022 240 HG1 THR 32 1HG THR 32 17.228 4.286 -4.058 241 1HG2 THR 32 1HG2 THR 32 14.021 3.140 -3.809 242 2HG2 THR 32 2HG2 THR 32 14.518 4.627 -3.002 243 3HG2 THR 32 3HG2 THR 32 14.120 3.196 -2.049 244 H VAL 33 H VAL 33 16.213 4.913 0.253 245 HA VAL 33 HA VAL 33 15.505 2.471 1.767 246 HB VAL 33 HB VAL 33 16.298 5.137 2.949 247 1HG1 VAL 33 1HG1 VAL 33 15.011 3.712 4.428 248 2HG1 VAL 33 2HG1 VAL 33 16.684 3.810 4.981 249 3HG1 VAL 33 3HG1 VAL 33 16.119 2.370 4.133 250 1HG2 VAL 33 1HG2 VAL 33 18.056 2.741 2.435 251 2HG2 VAL 33 2HG2 VAL 33 18.510 4.151 3.392 252 3HG2 VAL 33 3HG2 VAL 33 18.186 4.323 1.667 253 H LEU 34 H LEU 34 13.303 2.318 1.557 254 HA LEU 34 HA LEU 34 11.613 4.642 1.665 255 1HB LEU 34 2HB LEU 34 11.017 1.693 1.711 256 2HB LEU 34 1HB LEU 34 9.767 2.910 1.890 257 HG LEU 34 HG LEU 34 10.813 3.814 -0.368 258 1HD1 LEU 34 1HD1 LEU 34 12.611 2.180 -0.478 259 2HD1 LEU 34 2HD1 LEU 34 11.495 1.977 -1.827 260 3HD1 LEU 34 3HD1 LEU 34 11.435 0.865 -0.459 261 1HD2 LEU 34 1HD2 LEU 34 8.946 1.458 -0.191 262 2HD2 LEU 34 2HD2 LEU 34 9.088 2.574 -1.552 263 3HD2 LEU 34 3HD2 LEU 34 8.506 3.154 0.011 264 H LYS 35 H LYS 35 10.306 5.285 3.356 265 HA LYS 35 HA LYS 35 11.285 4.329 5.963 266 1HB LYS 35 2HB LYS 35 10.464 7.071 5.038 267 2HB LYS 35 1HB LYS 35 10.589 6.659 6.743 268 1HG LYS 35 2HG LYS 35 12.864 6.240 4.839 269 2HG LYS 35 1HG LYS 35 12.598 7.783 5.659 270 1HD LYS 35 2HD LYS 35 13.046 5.096 6.958 271 2HD LYS 35 1HD LYS 35 14.210 6.419 6.870 272 1HE LYS 35 2HE LYS 35 12.679 7.822 8.201 273 2HE LYS 35 1HE LYS 35 11.558 6.461 8.315 274 1HZ LYS 35 1HZ LYS 35 13.281 5.193 9.455 275 2HZ LYS 35 2HZ LYS 35 12.924 6.620 10.292 276 3HZ LYS 35 3HZ LYS 35 14.339 6.517 9.367 277 H ARG 36 H ARG 36 9.891 4.444 7.739 278 HA ARG 36 HA ARG 36 7.316 3.416 7.430 279 1HB ARG 36 2HB ARG 36 8.725 3.258 9.461 280 2HB ARG 36 1HB ARG 36 8.483 4.972 9.742 281 1HG ARG 36 2HG ARG 36 6.143 4.645 10.137 282 2HG ARG 36 1HG ARG 36 6.269 2.939 9.692 283 1HD ARG 36 2HD ARG 36 7.772 2.549 11.556 284 2HD ARG 36 1HD ARG 36 7.698 4.252 11.992 285 HE ARG 36 HE ARG 36 5.147 3.671 12.186 286 1HH1 ARG 36 1HH1 ARG 36 7.889 1.730 13.147 287 2HH1 ARG 36 2HH1 ARG 36 7.062 0.949 14.457 288 1HH2 ARG 36 1HH2 ARG 36 4.033 2.654 13.920 289 2HH2 ARG 36 2HH2 ARG 36 4.874 1.495 14.915 290 H GLY 37 H GLY 37 5.324 4.333 7.266 291 1HA GLY 37 2HA GLY 37 3.753 6.091 7.526 292 2HA GLY 37 1HA GLY 37 5.082 7.236 7.603 293 H THR 38 H THR 38 6.070 5.523 5.121 294 HA THR 38 HA THR 38 5.305 7.330 3.130 295 HB THR 38 HB THR 38 6.220 4.467 2.757 296 HG1 THR 38 1HG THR 38 7.870 5.464 3.781 297 1HG2 THR 38 1HG2 THR 38 5.229 5.402 0.723 298 2HG2 THR 38 2HG2 THR 38 6.974 5.224 0.547 299 3HG2 THR 38 3HG2 THR 38 6.276 6.815 0.852 300 H MET 39 H MET 39 3.371 7.637 2.279 301 HA MET 39 HA MET 39 1.337 5.606 2.550 302 1HB MET 39 2HB MET 39 0.374 7.598 3.112 303 2HB MET 39 1HB MET 39 1.361 8.521 1.989 304 1HG MET 39 2HG MET 39 -0.072 8.209 0.249 305 2HG MET 39 1HG MET 39 -0.643 6.655 0.853 306 1HE MET 39 1HE MET 39 -2.824 6.322 2.055 307 2HE MET 39 2HE MET 39 -3.428 7.454 3.266 308 3HE MET 39 3HE MET 39 -1.825 6.735 3.450 309 H ILE 40 H ILE 40 0.868 4.229 1.065 310 HA ILE 40 HA ILE 40 1.347 4.928 -1.761 311 HB ILE 40 HB ILE 40 1.102 2.139 -0.606 312 1HG1 ILE 40 2HG1 ILE 40 3.591 3.645 -1.451 313 2HG1 ILE 40 1HG1 ILE 40 3.145 3.258 0.207 314 1HG2 ILE 40 1HG2 ILE 40 1.934 1.418 -2.780 315 2HG2 ILE 40 2HG2 ILE 40 2.002 3.095 -3.323 316 3HG2 ILE 40 3HG2 ILE 40 0.446 2.348 -2.953 317 1HD1 ILE 40 1HD1 ILE 40 3.357 0.886 -0.274 318 2HD1 ILE 40 2HD1 ILE 40 4.849 1.746 -0.656 319 3HD1 ILE 40 3HD1 ILE 40 3.759 1.253 -1.951 320 H ARG 41 H ARG 41 -0.602 5.832 -2.281 321 HA ARG 41 HA ARG 41 -3.012 4.297 -1.599 322 1HB ARG 41 2HB ARG 41 -4.219 6.485 -2.142 323 2HB ARG 41 1HB ARG 41 -3.305 6.412 -0.646 324 1HG ARG 41 2HG ARG 41 -1.625 7.798 -1.462 325 2HG ARG 41 1HG ARG 41 -2.107 7.549 -3.134 326 1HD ARG 41 2HD ARG 41 -2.743 9.777 -2.304 327 2HD ARG 41 1HD ARG 41 -4.142 8.814 -2.774 328 HE ARG 41 HE ARG 41 -4.245 8.301 -0.256 329 1HH1 ARG 41 1HH1 ARG 41 -3.222 11.360 -1.637 330 2HH1 ARG 41 2HH1 ARG 41 -3.719 12.285 -0.251 331 1HH2 ARG 41 1HH2 ARG 41 -4.900 9.525 1.563 332 2HH2 ARG 41 2HH2 ARG 41 -4.627 11.249 1.576 333 H GLY 42 H GLY 42 -4.365 3.605 -3.136 334 1HA GLY 42 2HA GLY 42 -5.281 3.516 -5.317 335 2HA GLY 42 1HA GLY 42 -3.878 4.391 -5.916 336 H ILE 43 H ILE 43 -3.974 1.534 -3.843 337 HA ILE 43 HA ILE 43 -2.074 0.230 -5.595 338 HB ILE 43 HB ILE 43 -1.824 -1.443 -3.880 339 1HG1 ILE 43 2HG1 ILE 43 -3.214 -0.864 -1.659 340 2HG1 ILE 43 1HG1 ILE 43 -4.383 -0.313 -2.852 341 1HG2 ILE 43 1HG2 ILE 43 -0.709 0.754 -3.602 342 2HG2 ILE 43 2HG2 ILE 43 -0.987 -0.097 -2.081 343 3HG2 ILE 43 3HG2 ILE 43 -2.035 1.249 -2.540 344 1HD1 ILE 43 1HD1 ILE 43 -4.811 -2.604 -2.147 345 2HD1 ILE 43 2HD1 ILE 43 -3.203 -3.079 -2.696 346 3HD1 ILE 43 3HD1 ILE 43 -4.406 -2.527 -3.862 347 H ARG 44 H ARG 44 -2.435 -2.148 -6.024 348 HA ARG 44 HA ARG 44 -5.237 -2.822 -6.492 349 1HB ARG 44 2HB ARG 44 -4.612 -3.499 -8.848 350 2HB ARG 44 1HB ARG 44 -4.678 -1.767 -8.546 351 1HG ARG 44 2HG ARG 44 -2.183 -1.869 -8.170 352 2HG ARG 44 1HG ARG 44 -2.248 -3.506 -8.827 353 1HD ARG 44 2HD ARG 44 -1.656 -1.978 -10.583 354 2HD ARG 44 1HD ARG 44 -3.282 -2.592 -10.874 355 HE ARG 44 HE ARG 44 -4.150 -0.468 -10.133 356 1HH1 ARG 44 1HH1 ARG 44 -0.680 -0.559 -10.667 357 2HH1 ARG 44 2HH1 ARG 44 -0.568 1.153 -10.933 358 1HH2 ARG 44 1HH2 ARG 44 -3.994 1.758 -10.494 359 2HH2 ARG 44 2HH2 ARG 44 -2.448 2.476 -10.863 360 H LEU 45 H LEU 45 -5.503 -5.113 -7.079 361 HA LEU 45 HA LEU 45 -3.684 -6.718 -5.504 362 1HB LEU 45 2HB LEU 45 -6.175 -7.551 -6.990 363 2HB LEU 45 1HB LEU 45 -5.309 -8.509 -5.805 364 HG LEU 45 HG LEU 45 -6.941 -6.030 -5.338 365 1HD1 LEU 45 1HD1 LEU 45 -8.205 -7.486 -3.845 366 2HD1 LEU 45 2HD1 LEU 45 -7.152 -8.835 -4.274 367 3HD1 LEU 45 3HD1 LEU 45 -8.190 -8.102 -5.498 368 1HD2 LEU 45 1HD2 LEU 45 -6.310 -6.141 -2.999 369 2HD2 LEU 45 2HD2 LEU 45 -4.898 -5.856 -4.016 370 3HD2 LEU 45 3HD2 LEU 45 -5.195 -7.463 -3.349 371 H THR 46 H THR 46 -2.929 -8.826 -6.320 372 HA THR 46 HA THR 46 -2.409 -8.800 -9.216 373 HB THR 46 HB THR 46 -0.179 -9.773 -8.784 374 HG1 THR 46 1HG THR 46 -0.661 -9.153 -6.035 375 1HG2 THR 46 1HG2 THR 46 0.932 -7.752 -7.952 376 2HG2 THR 46 2HG2 THR 46 -0.613 -7.143 -7.363 377 3HG2 THR 46 3HG2 THR 46 -0.351 -7.356 -9.093 378 H ASP 47 H ASP 47 -1.174 -11.233 -9.470 379 HA ASP 47 HA ASP 47 -3.285 -13.113 -8.897 380 1HB ASP 47 2HB ASP 47 -0.539 -13.517 -10.116 381 2HB ASP 47 1HB ASP 47 -1.761 -14.775 -9.976 382 H SER 48 H SER 48 -0.780 -11.838 -7.170 383 HA SER 48 HA SER 48 -0.281 -14.194 -5.533 384 1HB SER 48 2HB SER 48 0.904 -11.412 -5.506 385 2HB SER 48 1HB SER 48 1.428 -12.739 -4.483 386 HG SER 48 HG SER 48 2.678 -12.408 -6.452 387 H GLU 49 H GLU 49 -0.784 -14.243 -3.322 388 HA GLU 49 HA GLU 49 -3.073 -12.590 -2.591 389 1HB GLU 49 2HB GLU 49 -1.824 -14.780 -0.944 390 2HB GLU 49 1HB GLU 49 -3.453 -14.138 -0.826 391 1HG GLU 49 2HG GLU 49 -4.010 -15.121 -2.975 392 2HG GLU 49 1HG GLU 49 -2.362 -15.740 -3.118 393 H ASP 50 H ASP 50 0.280 -12.886 -1.920 394 HA ASP 50 HA ASP 50 0.020 -11.282 0.530 395 1HB ASP 50 2HB ASP 50 2.256 -13.040 -0.482 396 2HB ASP 50 1HB ASP 50 2.402 -12.007 0.936 397 H GLU 51 H GLU 51 0.556 -10.866 -2.668 398 HA GLU 51 HA GLU 51 2.331 -8.567 -2.214 399 1HB GLU 51 2HB GLU 51 2.277 -10.459 -4.558 400 2HB GLU 51 1HB GLU 51 3.015 -8.880 -4.645 401 1HG GLU 51 2HG GLU 51 4.726 -10.485 -4.262 402 2HG GLU 51 1HG GLU 51 4.530 -9.526 -2.799 403 H ILE 52 H ILE 52 1.870 -6.696 -3.273 404 HA ILE 52 HA ILE 52 -0.503 -6.630 -5.003 405 HB ILE 52 HB ILE 52 -1.181 -4.470 -4.040 406 1HG1 ILE 52 2HG1 ILE 52 0.692 -5.012 -1.744 407 2HG1 ILE 52 1HG1 ILE 52 1.171 -4.021 -3.119 408 1HG2 ILE 52 1HG2 ILE 52 -1.059 -6.711 -2.035 409 2HG2 ILE 52 2HG2 ILE 52 -2.292 -6.471 -3.274 410 3HG2 ILE 52 3HG2 ILE 52 -2.138 -5.317 -1.949 411 1HD1 ILE 52 1HD1 ILE 52 0.392 -2.668 -1.257 412 2HD1 ILE 52 2HD1 ILE 52 -1.169 -3.489 -1.310 413 3HD1 ILE 52 3HD1 ILE 52 -0.650 -2.489 -2.669 414 H GLU 53 H GLU 53 -0.593 -4.311 -5.992 415 HA GLU 53 HA GLU 53 2.110 -3.309 -6.530 416 1HB GLU 53 2HB GLU 53 1.191 -4.777 -8.362 417 2HB GLU 53 1HB GLU 53 -0.097 -3.614 -8.559 418 1HG GLU 53 2HG GLU 53 2.661 -2.575 -8.720 419 2HG GLU 53 1HG GLU 53 2.111 -3.601 -10.043 420 H GLY 54 H GLY 54 2.232 -1.109 -6.269 421 1HA GLY 54 2HA GLY 54 -0.318 0.355 -6.164 422 2HA GLY 54 1HA GLY 54 0.732 0.379 -4.758 423 H ARG 55 H ARG 55 0.206 2.755 -5.560 424 HA ARG 55 HA ARG 55 2.639 3.595 -6.943 425 1HB ARG 55 2HB ARG 55 1.422 5.268 -8.230 426 2HB ARG 55 1HB ARG 55 0.866 3.645 -8.606 427 1HG ARG 55 2HG ARG 55 -1.074 4.001 -7.144 428 2HG ARG 55 1HG ARG 55 -0.531 5.655 -6.861 429 1HD ARG 55 2HD ARG 55 -0.699 6.146 -9.230 430 2HD ARG 55 1HD ARG 55 -1.170 4.483 -9.563 431 HE ARG 55 HE ARG 55 -3.270 4.905 -8.513 432 1HH1 ARG 55 1HH1 ARG 55 -1.240 7.754 -8.829 433 2HH1 ARG 55 2HH1 ARG 55 -2.583 8.857 -8.792 434 1HH2 ARG 55 1HH2 ARG 55 -5.024 6.369 -8.460 435 2HH2 ARG 55 2HH2 ARG 55 -4.728 8.081 -8.581 436 H THR 56 H THR 56 3.552 5.379 -6.195 437 HA THR 56 HA THR 56 2.352 6.683 -3.847 438 HB THR 56 HB THR 56 4.581 7.286 -3.144 439 HG1 THR 56 1HG THR 56 5.508 6.126 -5.579 440 1HG2 THR 56 1HG2 THR 56 4.588 4.436 -4.151 441 2HG2 THR 56 2HG2 THR 56 4.018 4.993 -2.575 442 3HG2 THR 56 3HG2 THR 56 5.733 5.100 -2.986 443 H ASP 57 H ASP 57 3.714 9.042 -3.796 444 HA ASP 57 HA ASP 57 2.646 10.509 -6.022 445 1HB ASP 57 2HB ASP 57 3.464 12.468 -4.910 446 2HB ASP 57 1HB ASP 57 2.802 11.408 -3.673 447 H LYS 58 H LYS 58 5.508 8.857 -5.362 448 HA LYS 58 HA LYS 58 6.971 10.278 -7.487 449 1HB LYS 58 2HB LYS 58 8.070 8.642 -5.193 450 2HB LYS 58 1HB LYS 58 9.026 9.485 -6.405 451 1HG LYS 58 2HG LYS 58 8.256 11.615 -5.616 452 2HG LYS 58 1HG LYS 58 7.118 10.841 -4.514 453 1HD LYS 58 2HD LYS 58 9.041 9.824 -3.322 454 2HD LYS 58 1HD LYS 58 10.129 10.729 -4.377 455 1HE LYS 58 2HE LYS 58 9.889 11.926 -2.307 456 2HE LYS 58 1HE LYS 58 9.077 12.829 -3.585 457 1HZ LYS 58 1HZ LYS 58 7.801 11.137 -1.507 458 2HZ LYS 58 2HZ LYS 58 6.960 11.814 -2.816 459 3HZ LYS 58 3HZ LYS 58 7.692 12.819 -1.660 460 H ILE 59 H ILE 59 7.357 7.085 -5.998 461 HA ILE 59 HA ILE 59 7.737 5.807 -8.558 462 HB ILE 59 HB ILE 59 7.198 4.207 -6.080 463 1HG1 ILE 59 2HG1 ILE 59 9.875 4.440 -5.887 464 2HG1 ILE 59 1HG1 ILE 59 9.492 6.057 -6.460 465 1HG2 ILE 59 1HG2 ILE 59 9.020 3.890 -8.450 466 2HG2 ILE 59 2HG2 ILE 59 7.539 2.995 -8.096 467 3HG2 ILE 59 3HG2 ILE 59 8.966 2.781 -7.082 468 1HD1 ILE 59 1HD1 ILE 59 9.628 5.966 -4.036 469 2HD1 ILE 59 2HD1 ILE 59 8.355 4.747 -4.002 470 3HD1 ILE 59 3HD1 ILE 59 7.999 6.379 -4.564 471 H LYS 60 H LYS 60 5.955 5.510 -9.818 472 HA LYS 60 HA LYS 60 3.525 4.607 -8.426 473 1HB LYS 60 2HB LYS 60 2.216 5.537 -10.262 474 2HB LYS 60 1HB LYS 60 3.225 6.772 -9.527 475 1HG LYS 60 2HG LYS 60 4.827 6.536 -11.373 476 2HG LYS 60 1HG LYS 60 3.761 5.338 -12.111 477 1HD LYS 60 2HD LYS 60 3.387 7.477 -13.159 478 2HD LYS 60 1HD LYS 60 1.970 7.049 -12.196 479 1HE LYS 60 2HE LYS 60 2.759 8.501 -10.393 480 2HE LYS 60 1HE LYS 60 4.183 8.919 -11.345 481 1HZ LYS 60 1HZ LYS 60 1.354 9.571 -11.957 482 2HZ LYS 60 2HZ LYS 60 2.627 9.799 -13.056 483 3HZ LYS 60 3HZ LYS 60 2.607 10.655 -11.593 484 H GLY 61 H GLY 61 2.973 2.578 -8.724 485 1HA GLY 61 2HA GLY 61 2.374 0.731 -10.031 486 2HA GLY 61 1HA GLY 61 3.371 1.348 -11.338 487 H LEU 62 H LEU 62 4.030 0.555 -7.923 488 HA LEU 62 HA LEU 62 6.148 -1.232 -8.903 489 1HB LEU 62 2HB LEU 62 7.535 -0.686 -7.112 490 2HB LEU 62 1HB LEU 62 6.871 0.854 -7.607 491 HG LEU 62 HG LEU 62 5.794 -0.720 -5.277 492 1HD1 LEU 62 1HD1 LEU 62 7.094 0.794 -3.857 493 2HD1 LEU 62 2HD1 LEU 62 7.838 1.500 -5.291 494 3HD1 LEU 62 3HD1 LEU 62 8.144 -0.187 -4.879 495 1HD2 LEU 62 1HD2 LEU 62 4.262 0.941 -6.177 496 2HD2 LEU 62 2HD2 LEU 62 5.524 2.170 -6.104 497 3HD2 LEU 62 3HD2 LEU 62 4.887 1.470 -4.615 498 H VAL 63 H VAL 63 6.182 -3.289 -8.187 499 HA VAL 63 HA VAL 63 3.804 -4.179 -6.745 500 HB VAL 63 HB VAL 63 5.960 -5.867 -8.042 501 1HG1 VAL 63 1HG1 VAL 63 4.708 -7.049 -6.304 502 2HG1 VAL 63 2HG1 VAL 63 4.316 -7.675 -7.905 503 3HG1 VAL 63 3HG1 VAL 63 3.190 -6.596 -7.082 504 1HG2 VAL 63 1HG2 VAL 63 4.301 -6.204 -9.849 505 2HG2 VAL 63 2HG2 VAL 63 4.869 -4.538 -9.730 506 3HG2 VAL 63 3HG2 VAL 63 3.280 -4.976 -9.099 507 H LEU 64 H LEU 64 3.833 -4.548 -4.665 508 HA LEU 64 HA LEU 64 6.360 -5.329 -3.383 509 1HB LEU 64 2HB LEU 64 4.582 -3.028 -2.655 510 2HB LEU 64 1HB LEU 64 5.491 -3.863 -1.410 511 HG LEU 64 HG LEU 64 6.781 -2.653 -3.848 512 1HD1 LEU 64 1HD1 LEU 64 6.479 -1.501 -1.077 513 2HD1 LEU 64 2HD1 LEU 64 5.715 -0.894 -2.550 514 3HD1 LEU 64 3HD1 LEU 64 7.469 -0.828 -2.373 515 1HD2 LEU 64 1HD2 LEU 64 8.098 -4.392 -2.860 516 2HD2 LEU 64 2HD2 LEU 64 7.823 -3.751 -1.240 517 3HD2 LEU 64 3HD2 LEU 64 8.804 -2.841 -2.396 518 H ARG 65 H ARG 65 6.212 -6.769 -1.778 519 HA ARG 65 HA ARG 65 3.843 -8.207 -1.285 520 1HB ARG 65 2HB ARG 65 5.164 -8.981 0.781 521 2HB ARG 65 1HB ARG 65 5.820 -9.360 -0.799 522 1HG ARG 65 2HG ARG 65 7.452 -7.694 -0.638 523 2HG ARG 65 1HG ARG 65 6.665 -6.926 0.734 524 1HD ARG 65 2HD ARG 65 7.137 -8.940 2.076 525 2HD ARG 65 1HD ARG 65 7.977 -9.643 0.697 526 HE ARG 65 HE ARG 65 9.292 -7.341 0.999 527 1HH1 ARG 65 1HH1 ARG 65 8.322 -9.760 3.345 528 2HH1 ARG 65 2HH1 ARG 65 9.692 -9.479 4.383 529 1HH2 ARG 65 1HH2 ARG 65 11.055 -6.926 2.380 530 2HH2 ARG 65 2HH2 ARG 65 11.240 -7.850 3.847 531 H THR 66 H THR 66 2.263 -7.926 0.157 532 HA THR 66 HA THR 66 2.166 -5.320 1.437 533 HB THR 66 HB THR 66 0.284 -6.049 0.040 534 HG1 THR 66 1HG THR 66 -0.560 -5.971 2.757 535 1HG2 THR 66 1HG2 THR 66 0.408 -8.449 0.451 536 2HG2 THR 66 2HG2 THR 66 -1.212 -7.834 0.782 537 3HG2 THR 66 3HG2 THR 66 -0.117 -8.200 2.115 538 H GLU 67 H GLU 67 3.892 -7.437 2.563 539 HA GLU 67 HA GLU 67 2.524 -8.436 4.919 540 1HB GLU 67 2HB GLU 67 5.507 -8.395 4.574 541 2HB GLU 67 1HB GLU 67 4.511 -9.567 5.427 542 1HG GLU 67 2HG GLU 67 3.609 -10.271 3.217 543 2HG GLU 67 1HG GLU 67 4.815 -9.236 2.466 544 H PHE 68 H PHE 68 4.435 -5.786 3.947 545 HA PHE 68 HA PHE 68 4.673 -4.856 6.721 546 1HB PHE 68 2HB PHE 68 6.639 -3.556 5.961 547 2HB PHE 68 1HB PHE 68 6.826 -5.291 5.713 548 HD1 PHE 68 1HD PHE 68 6.038 -2.128 3.947 549 HD2 PHE 68 2HD PHE 68 7.335 -6.165 3.637 550 HE1 PHE 68 1HE PHE 68 6.638 -1.750 1.591 551 HE2 PHE 68 2HE PHE 68 7.934 -5.795 1.280 552 HZ PHE 68 HZ PHE 68 7.587 -3.585 0.255 553 H LEU 69 H LEU 69 2.497 -4.530 4.606 554 HA LEU 69 HA LEU 69 2.492 -1.591 4.580 555 1HB LEU 69 2HB LEU 69 1.003 -3.455 2.745 556 2HB LEU 69 1HB LEU 69 0.965 -1.710 2.679 557 HG LEU 69 HG LEU 69 3.443 -3.368 2.196 558 1HD1 LEU 69 1HD1 LEU 69 3.131 -2.786 -0.162 559 2HD1 LEU 69 2HD1 LEU 69 1.590 -2.024 0.233 560 3HD1 LEU 69 3HD1 LEU 69 1.797 -3.763 0.449 561 1HD2 LEU 69 1HD2 LEU 69 3.940 -1.143 3.012 562 2HD2 LEU 69 2HD2 LEU 69 2.852 -0.436 1.817 563 3HD2 LEU 69 3HD2 LEU 69 4.326 -1.253 1.292 564 H LYS 70 H LYS 70 0.775 -0.533 5.269 565 HA LYS 70 HA LYS 70 -1.170 -2.088 6.834 566 1HB LYS 70 2HB LYS 70 0.583 -0.194 7.711 567 2HB LYS 70 1HB LYS 70 -0.823 0.799 7.360 568 1HG LYS 70 2HG LYS 70 -0.663 -1.530 9.238 569 2HG LYS 70 1HG LYS 70 -0.870 0.171 9.662 570 1HD LYS 70 2HD LYS 70 -2.983 -0.103 8.069 571 2HD LYS 70 1HD LYS 70 -2.828 -1.781 8.583 572 1HE LYS 70 2HE LYS 70 -2.912 -1.095 10.915 573 2HE LYS 70 1HE LYS 70 -3.037 0.596 10.424 574 1HZ LYS 70 1HZ LYS 70 -5.206 -0.172 10.927 575 2HZ LYS 70 2HZ LYS 70 -5.018 -1.567 9.981 576 3HZ LYS 70 3HZ LYS 70 -5.119 -0.049 9.238 577 H LYS 71 H LYS 71 -3.183 -2.066 6.032 578 HA LYS 71 HA LYS 71 -4.050 -0.472 3.896 579 1HB LYS 71 2HB LYS 71 -5.155 -2.587 4.678 580 2HB LYS 71 1HB LYS 71 -5.788 -1.692 6.055 581 1HG LYS 71 2HG LYS 71 -6.838 -0.130 4.333 582 2HG LYS 71 1HG LYS 71 -6.472 -1.389 3.154 583 1HD LYS 71 2HD LYS 71 -7.750 -3.002 4.490 584 2HD LYS 71 1HD LYS 71 -8.137 -1.729 5.646 585 1HE LYS 71 2HE LYS 71 -10.012 -2.024 4.189 586 2HE LYS 71 1HE LYS 71 -9.249 -0.481 3.806 587 1HZ LYS 71 1HZ LYS 71 -8.217 -1.448 1.892 588 2HZ LYS 71 2HZ LYS 71 -9.875 -1.806 1.835 589 3HZ LYS 71 3HZ LYS 71 -8.772 -2.998 2.307 590 H ALA 72 H ALA 72 -4.540 1.623 3.827 591 HA ALA 72 HA ALA 72 -4.421 3.173 6.249 592 1HB ALA 72 1HB ALA 72 -3.345 4.002 4.233 593 2HB ALA 72 2HB ALA 72 -4.596 5.123 4.771 594 3HB ALA 72 3HB ALA 72 -4.901 4.052 3.403 595 H GLY 73 H GLY 73 -6.356 1.930 7.037 596 1HA GLY 73 2HA GLY 73 -8.676 3.674 6.776 597 2HA GLY 73 1HA GLY 73 -8.919 1.977 6.375 598 H SER 74 H SER 74 -9.484 4.051 8.725 599 HA SER 74 HA SER 74 -9.384 1.999 10.779 600 1HB SER 74 2HB SER 74 -7.234 3.342 10.922 601 2HB SER 74 1HB SER 74 -8.225 4.750 11.298 602 HG SER 74 HG SER 74 -8.183 4.087 13.282 Start of MODEL 6 1 1H MET 1 1HT MET 1 -12.456 -19.314 -6.861 2 2H MET 1 2HT MET 1 -10.869 -19.910 -6.911 3 3H MET 1 3HT MET 1 -11.670 -19.516 -8.352 4 HA MET 1 HA MET 1 -10.054 -17.837 -7.763 5 1HB MET 1 2HB MET 1 -12.954 -17.001 -7.550 6 2HB MET 1 1HB MET 1 -11.624 -15.870 -7.751 7 1HG MET 1 2HG MET 1 -12.592 -16.202 -9.879 8 2HG MET 1 1HG MET 1 -11.047 -17.046 -9.875 9 1HE MET 1 1HE MET 1 -15.172 -19.111 -9.613 10 2HE MET 1 2HE MET 1 -14.947 -17.381 -9.866 11 3HE MET 1 3HE MET 1 -14.521 -18.107 -8.316 12 H SER 2 H SER 2 -8.854 -17.806 -5.949 13 HA SER 2 HA SER 2 -9.950 -16.320 -3.709 14 1HB SER 2 2HB SER 2 -10.378 -18.711 -3.137 15 2HB SER 2 1HB SER 2 -8.645 -19.018 -3.257 16 HG SER 2 HG SER 2 -9.374 -16.893 -1.628 17 H ILE 3 H ILE 3 -8.569 -14.676 -4.114 18 HA ILE 3 HA ILE 3 -5.741 -15.202 -3.519 19 HB ILE 3 HB ILE 3 -5.062 -13.484 -5.175 20 1HG1 ILE 3 2HG1 ILE 3 -7.937 -13.678 -6.094 21 2HG1 ILE 3 1HG1 ILE 3 -7.186 -12.276 -5.345 22 1HG2 ILE 3 1HG2 ILE 3 -6.541 -15.832 -6.353 23 2HG2 ILE 3 2HG2 ILE 3 -4.887 -15.839 -5.745 24 3HG2 ILE 3 3HG2 ILE 3 -5.296 -14.885 -7.170 25 1HD1 ILE 3 1HD1 ILE 3 -7.382 -11.984 -7.740 26 2HD1 ILE 3 2HD1 ILE 3 -6.457 -13.462 -8.013 27 3HD1 ILE 3 3HD1 ILE 3 -5.687 -12.063 -7.262 28 H GLU 4 H GLU 4 -8.007 -14.231 -1.953 29 HA GLU 4 HA GLU 4 -8.247 -11.511 -1.681 30 1HB GLU 4 2HB GLU 4 -8.243 -13.554 0.538 31 2HB GLU 4 1HB GLU 4 -8.825 -11.910 0.701 32 1HG GLU 4 2HG GLU 4 -10.790 -12.953 0.329 33 2HG GLU 4 1HG GLU 4 -10.320 -12.649 -1.339 34 H VAL 5 H VAL 5 -6.727 -10.029 -1.522 35 HA VAL 5 HA VAL 5 -4.266 -10.617 -0.065 36 HB VAL 5 HB VAL 5 -4.825 -8.042 -1.510 37 1HG1 VAL 5 1HG1 VAL 5 -2.410 -8.030 -1.829 38 2HG1 VAL 5 2HG1 VAL 5 -2.286 -9.589 -1.011 39 3HG1 VAL 5 3HG1 VAL 5 -2.828 -8.164 -0.121 40 1HG2 VAL 5 1HG2 VAL 5 -3.803 -10.571 -2.800 41 2HG2 VAL 5 2HG2 VAL 5 -3.912 -8.983 -3.562 42 3HG2 VAL 5 3HG2 VAL 5 -5.381 -9.834 -3.084 43 H ARG 6 H ARG 6 -3.762 -9.668 1.851 44 HA ARG 6 HA ARG 6 -5.525 -7.537 2.850 45 1HB ARG 6 2HB ARG 6 -4.530 -9.821 4.567 46 2HB ARG 6 1HB ARG 6 -5.606 -8.523 5.054 47 1HG ARG 6 2HG ARG 6 -7.157 -10.146 4.749 48 2HG ARG 6 1HG ARG 6 -7.080 -9.549 3.092 49 1HD ARG 6 2HD ARG 6 -6.045 -11.403 2.319 50 2HD ARG 6 1HD ARG 6 -5.113 -11.628 3.799 51 HE ARG 6 HE ARG 6 -7.654 -12.233 4.548 52 1HH1 ARG 6 1HH1 ARG 6 -5.629 -13.358 1.915 53 2HH1 ARG 6 2HH1 ARG 6 -6.266 -14.974 1.948 54 1HH2 ARG 6 1HH2 ARG 6 -8.478 -14.331 4.604 55 2HH2 ARG 6 2HH2 ARG 6 -7.902 -15.533 3.484 56 H ASP 7 H ASP 7 -4.507 -6.396 4.757 57 HA ASP 7 HA ASP 7 -1.733 -5.829 4.150 58 1HB ASP 7 2HB ASP 7 -1.987 -3.902 5.400 59 2HB ASP 7 1HB ASP 7 -3.654 -4.187 4.927 60 H CYS 8 H CYS 8 -0.485 -5.307 6.411 61 HA CYS 8 HA CYS 8 0.410 -7.757 7.378 62 1HB CYS 8 2HB CYS 8 1.494 -6.365 9.178 63 2HB CYS 8 1HB CYS 8 1.817 -5.838 7.530 64 HG CYS 8 HG CYS 8 -0.716 -4.103 8.138 65 H ASN 9 H ASN 9 -2.124 -5.631 8.590 66 HA ASN 9 HA ASN 9 -2.391 -7.029 11.086 67 1HB ASN 9 2HB ASN 9 -3.919 -4.837 9.714 68 2HB ASN 9 1HB ASN 9 -4.530 -5.600 11.170 69 1HD2 ASN 9 1HD2 ASN 9 -2.070 -3.576 9.816 70 2HD2 ASN 9 2HD2 ASN 9 -1.430 -2.996 11.324 71 H GLY 10 H GLY 10 -4.176 -6.856 8.032 72 1HA GLY 10 2HA GLY 10 -4.936 -9.190 7.365 73 2HA GLY 10 1HA GLY 10 -5.737 -9.201 8.928 74 H ALA 11 H ALA 11 -5.664 -6.177 7.324 75 HA ALA 11 HA ALA 11 -8.523 -6.334 6.837 76 1HB ALA 11 1HB ALA 11 -7.579 -4.325 7.885 77 2HB ALA 11 2HB ALA 11 -8.367 -3.951 6.352 78 3HB ALA 11 3HB ALA 11 -6.608 -4.034 6.441 79 H LEU 12 H LEU 12 -9.419 -6.665 4.917 80 HA LEU 12 HA LEU 12 -7.862 -7.600 2.765 81 1HB LEU 12 2HB LEU 12 -10.776 -6.964 3.096 82 2HB LEU 12 1HB LEU 12 -10.129 -7.487 1.552 83 HG LEU 12 HG LEU 12 -9.616 -9.138 4.004 84 1HD1 LEU 12 1HD1 LEU 12 -11.667 -10.401 3.536 85 2HD1 LEU 12 2HD1 LEU 12 -12.118 -9.224 2.303 86 3HD1 LEU 12 3HD1 LEU 12 -12.030 -8.740 3.997 87 1HD2 LEU 12 1HD2 LEU 12 -9.549 -10.934 2.364 88 2HD2 LEU 12 2HD2 LEU 12 -8.436 -9.640 1.920 89 3HD2 LEU 12 3HD2 LEU 12 -9.978 -9.802 1.082 90 H LEU 13 H LEU 13 -7.358 -6.759 0.822 91 HA LEU 13 HA LEU 13 -7.737 -3.859 0.476 92 1HB LEU 13 2HB LEU 13 -5.592 -5.710 -0.581 93 2HB LEU 13 1HB LEU 13 -5.745 -4.020 -1.025 94 HG LEU 13 HG LEU 13 -5.288 -4.963 1.804 95 1HD1 LEU 13 1HD1 LEU 13 -2.969 -4.279 1.489 96 2HD1 LEU 13 2HD1 LEU 13 -3.294 -3.921 -0.206 97 3HD1 LEU 13 3HD1 LEU 13 -3.395 -5.582 0.378 98 1HD2 LEU 13 1HD2 LEU 13 -4.702 -2.633 2.201 99 2HD2 LEU 13 2HD2 LEU 13 -6.346 -2.763 1.573 100 3HD2 LEU 13 3HD2 LEU 13 -5.034 -2.248 0.509 101 H ALA 14 H ALA 14 -7.645 -3.268 -1.948 102 HA ALA 14 HA ALA 14 -8.787 -5.252 -3.714 103 1HB ALA 14 1HB ALA 14 -10.734 -4.410 -2.452 104 2HB ALA 14 2HB ALA 14 -10.825 -4.043 -4.175 105 3HB ALA 14 3HB ALA 14 -10.373 -2.782 -3.029 106 H ASP 15 H ASP 15 -9.453 -3.997 -5.852 107 HA ASP 15 HA ASP 15 -7.084 -2.650 -6.743 108 1HB ASP 15 2HB ASP 15 -8.378 -4.194 -8.198 109 2HB ASP 15 1HB ASP 15 -9.722 -3.060 -8.176 110 H GLY 16 H GLY 16 -6.709 -0.595 -6.264 111 1HA GLY 16 2HA GLY 16 -7.213 1.728 -6.532 112 2HA GLY 16 1HA GLY 16 -8.925 1.337 -6.434 113 H ASP 17 H ASP 17 -6.723 -0.157 -4.242 114 HA ASP 17 HA ASP 17 -8.019 1.254 -2.029 115 1HB ASP 17 2HB ASP 17 -7.590 -1.391 -2.343 116 2HB ASP 17 1HB ASP 17 -6.133 -0.954 -1.462 117 H ASN 18 H ASN 18 -6.392 1.375 -0.016 118 HA ASN 18 HA ASN 18 -3.859 2.485 -0.987 119 1HB ASN 18 2HB ASN 18 -4.158 4.407 0.627 120 2HB ASN 18 1HB ASN 18 -5.172 4.445 -0.809 121 1HD2 ASN 18 1HD2 ASN 18 -7.343 4.176 -0.614 122 2HD2 ASN 18 2HD2 ASN 18 -8.163 4.247 0.900 123 H VAL 19 H VAL 19 -2.158 2.275 0.312 124 HA VAL 19 HA VAL 19 -2.548 1.195 3.015 125 HB VAL 19 HB VAL 19 -0.661 -0.381 2.673 126 1HG1 VAL 19 1HG1 VAL 19 -2.982 -0.817 0.797 127 2HG1 VAL 19 2HG1 VAL 19 -2.977 -1.157 2.528 128 3HG1 VAL 19 3HG1 VAL 19 -1.920 -2.067 1.447 129 1HG2 VAL 19 1HG2 VAL 19 0.022 -0.957 0.382 130 2HG2 VAL 19 2HG2 VAL 19 0.427 0.710 0.793 131 3HG2 VAL 19 3HG2 VAL 19 -0.964 0.370 -0.234 132 H SER 20 H SER 20 -0.271 1.126 4.126 133 HA SER 20 HA SER 20 1.520 3.195 3.184 134 1HB SER 20 2HB SER 20 0.072 3.398 5.820 135 2HB SER 20 1HB SER 20 1.467 4.383 5.387 136 HG SER 20 HG SER 20 -0.545 4.347 3.508 137 H LEU 21 H LEU 21 3.530 3.272 4.352 138 HA LEU 21 HA LEU 21 4.553 0.673 4.851 139 1HB LEU 21 2HB LEU 21 5.629 3.454 4.914 140 2HB LEU 21 1HB LEU 21 6.569 2.180 5.660 141 HG LEU 21 HG LEU 21 7.250 2.715 3.334 142 1HD1 LEU 21 1HD1 LEU 21 6.234 -0.048 3.927 143 2HD1 LEU 21 2HD1 LEU 21 7.851 0.599 4.209 144 3HD1 LEU 21 3HD1 LEU 21 7.281 0.341 2.560 145 1HD2 LEU 21 1HD2 LEU 21 5.872 1.945 1.478 146 2HD2 LEU 21 2HD2 LEU 21 5.051 3.206 2.401 147 3HD2 LEU 21 3HD2 LEU 21 4.584 1.516 2.606 148 H ILE 22 H ILE 22 4.650 -0.450 6.686 149 HA ILE 22 HA ILE 22 4.076 0.872 9.231 150 HB ILE 22 HB ILE 22 3.943 -1.332 10.214 151 1HG1 ILE 22 2HG1 ILE 22 4.739 -2.433 7.513 152 2HG1 ILE 22 1HG1 ILE 22 5.825 -2.309 8.892 153 1HG2 ILE 22 1HG2 ILE 22 2.101 -2.282 8.916 154 2HG2 ILE 22 2HG2 ILE 22 2.542 -1.261 7.549 155 3HG2 ILE 22 3HG2 ILE 22 1.969 -0.528 9.047 156 1HD1 ILE 22 1HD1 ILE 22 4.972 -4.563 8.641 157 2HD1 ILE 22 2HD1 ILE 22 3.315 -3.967 8.762 158 3HD1 ILE 22 3HD1 ILE 22 4.401 -3.846 10.147 159 H LYS 23 H LYS 23 6.730 0.145 7.377 160 HA LYS 23 HA LYS 23 8.546 0.429 9.646 161 1HB LYS 23 2HB LYS 23 9.002 -1.634 7.486 162 2HB LYS 23 1HB LYS 23 9.988 -1.353 8.909 163 1HG LYS 23 2HG LYS 23 8.120 -2.135 10.315 164 2HG LYS 23 1HG LYS 23 7.213 -2.501 8.842 165 1HD LYS 23 2HD LYS 23 8.302 -4.508 9.677 166 2HD LYS 23 1HD LYS 23 9.000 -4.020 8.129 167 1HE LYS 23 2HE LYS 23 10.710 -4.712 9.775 168 2HE LYS 23 1HE LYS 23 10.903 -3.041 9.247 169 1HZ LYS 23 1HZ LYS 23 9.843 -2.299 11.287 170 2HZ LYS 23 2HZ LYS 23 11.192 -3.262 11.641 171 3HZ LYS 23 3HZ LYS 23 9.629 -3.906 11.789 172 H ASP 24 H ASP 24 10.869 0.565 8.643 173 HA ASP 24 HA ASP 24 10.753 2.365 6.326 174 1HB ASP 24 2HB ASP 24 13.223 1.738 7.937 175 2HB ASP 24 1HB ASP 24 12.932 3.121 6.897 176 H LEU 25 H LEU 25 10.558 0.995 4.608 177 HA LEU 25 HA LEU 25 12.431 -1.247 4.376 178 1HB LEU 25 2HB LEU 25 9.956 -0.497 2.829 179 2HB LEU 25 1HB LEU 25 11.045 -1.757 2.297 180 HG LEU 25 HG LEU 25 9.129 -2.733 3.393 181 1HD1 LEU 25 1HD1 LEU 25 10.224 -4.064 5.125 182 2HD1 LEU 25 2HD1 LEU 25 11.589 -2.944 5.115 183 3HD1 LEU 25 3HD1 LEU 25 11.224 -3.903 3.679 184 1HD2 LEU 25 1HD2 LEU 25 9.880 -1.021 5.745 185 2HD2 LEU 25 2HD2 LEU 25 8.759 -2.380 5.826 186 3HD2 LEU 25 3HD2 LEU 25 8.382 -0.988 4.817 187 H LYS 26 H LYS 26 14.323 -0.708 3.524 188 HA LYS 26 HA LYS 26 14.478 1.526 1.657 189 1HB LYS 26 2HB LYS 26 16.087 0.930 3.682 190 2HB LYS 26 1HB LYS 26 16.865 -0.062 2.468 191 1HG LYS 26 2HG LYS 26 16.317 2.832 1.978 192 2HG LYS 26 1HG LYS 26 17.750 2.298 2.853 193 1HD LYS 26 2HD LYS 26 17.002 1.369 0.084 194 2HD LYS 26 1HD LYS 26 18.126 2.688 0.425 195 1HE LYS 26 2HE LYS 26 19.496 1.104 1.748 196 2HE LYS 26 1HE LYS 26 18.415 -0.195 1.247 197 1HZ LYS 26 1HZ LYS 26 20.079 1.487 -0.549 198 2HZ LYS 26 2HZ LYS 26 19.001 0.287 -1.063 199 3HZ LYS 26 3HZ LYS 26 20.364 -0.133 -0.148 200 H LEU 27 H LEU 27 14.725 1.308 -0.468 201 HA LEU 27 HA LEU 27 14.160 -1.169 -1.681 202 1HB LEU 27 2HB LEU 27 13.674 1.183 -2.512 203 2HB LEU 27 1HB LEU 27 15.324 1.235 -3.070 204 HG LEU 27 HG LEU 27 13.453 -0.932 -3.989 205 1HD1 LEU 27 1HD1 LEU 27 12.914 0.462 -5.928 206 2HD1 LEU 27 2HD1 LEU 27 13.788 1.811 -5.200 207 3HD1 LEU 27 3HD1 LEU 27 12.331 1.185 -4.429 208 1HD2 LEU 27 1HD2 LEU 27 15.840 -1.203 -4.464 209 2HD2 LEU 27 2HD2 LEU 27 15.863 0.374 -5.254 210 3HD2 LEU 27 3HD2 LEU 27 14.915 -0.944 -5.943 211 H LYS 28 H LYS 28 15.393 -2.645 -2.651 212 HA LYS 28 HA LYS 28 18.194 -2.652 -1.941 213 1HB LYS 28 2HB LYS 28 18.177 -4.975 -2.826 214 2HB LYS 28 1HB LYS 28 16.996 -4.693 -1.560 215 1HG LYS 28 2HG LYS 28 15.245 -4.478 -3.298 216 2HG LYS 28 1HG LYS 28 16.455 -4.894 -4.516 217 1HD LYS 28 2HD LYS 28 16.851 -7.032 -3.374 218 2HD LYS 28 1HD LYS 28 15.621 -6.616 -2.181 219 1HE LYS 28 2HE LYS 28 14.602 -8.070 -3.757 220 2HE LYS 28 1HE LYS 28 13.981 -6.451 -4.070 221 1HZ LYS 28 1HZ LYS 28 15.498 -6.236 -5.916 222 2HZ LYS 28 2HZ LYS 28 14.572 -7.644 -6.107 223 3HZ LYS 28 3HZ LYS 28 16.182 -7.754 -5.581 224 H GLY 29 H GLY 29 19.654 -1.761 -3.172 225 1HA GLY 29 2HA GLY 29 20.943 -1.719 -5.173 226 2HA GLY 29 1HA GLY 29 19.500 -2.151 -6.079 227 H SER 30 H SER 30 18.710 0.169 -3.840 228 HA SER 30 HA SER 30 19.612 2.465 -5.361 229 1HB SER 30 2HB SER 30 16.661 1.868 -5.009 230 2HB SER 30 1HB SER 30 17.323 3.383 -5.624 231 HG SER 30 HG SER 30 18.360 1.280 -6.962 232 H SER 31 H SER 31 19.293 4.463 -4.219 233 HA SER 31 HA SER 31 19.531 4.065 -1.372 234 1HB SER 31 2HB SER 31 19.926 6.636 -1.513 235 2HB SER 31 1HB SER 31 21.133 5.543 -2.190 236 HG SER 31 HG SER 31 19.042 6.764 -3.688 237 H THR 32 H THR 32 16.847 3.974 -2.920 238 HA THR 32 HA THR 32 15.348 6.112 -1.709 239 HB THR 32 HB THR 32 14.331 3.633 -3.121 240 HG1 THR 32 1HG THR 32 14.974 6.252 -4.062 241 1HG2 THR 32 1HG2 THR 32 12.632 4.738 -1.742 242 2HG2 THR 32 2HG2 THR 32 12.291 4.946 -3.460 243 3HG2 THR 32 3HG2 THR 32 12.987 6.276 -2.534 244 H VAL 33 H VAL 33 15.217 6.022 0.449 245 HA VAL 33 HA VAL 33 14.686 3.460 1.763 246 HB VAL 33 HB VAL 33 14.932 6.125 3.156 247 1HG1 VAL 33 1HG1 VAL 33 15.663 4.736 5.033 248 2HG1 VAL 33 2HG1 VAL 33 15.489 3.294 4.032 249 3HG1 VAL 33 3HG1 VAL 33 14.068 4.254 4.452 250 1HG2 VAL 33 1HG2 VAL 33 17.331 5.681 3.459 251 2HG2 VAL 33 2HG2 VAL 33 16.917 5.917 1.762 252 3HG2 VAL 33 3HG2 VAL 33 17.203 4.289 2.381 253 H LEU 34 H LEU 34 12.557 2.944 1.550 254 HA LEU 34 HA LEU 34 10.523 4.984 1.676 255 1HB LEU 34 2HB LEU 34 10.387 1.975 1.477 256 2HB LEU 34 1HB LEU 34 8.975 3.011 1.527 257 HG LEU 34 HG LEU 34 11.022 3.603 -0.521 258 1HD1 LEU 34 1HD1 LEU 34 10.052 1.984 -2.072 259 2HD1 LEU 34 2HD1 LEU 34 9.060 1.332 -0.767 260 3HD1 LEU 34 3HD1 LEU 34 10.817 1.185 -0.699 261 1HD2 LEU 34 1HD2 LEU 34 8.014 3.650 -0.522 262 2HD2 LEU 34 2HD2 LEU 34 9.063 4.255 -1.804 263 3HD2 LEU 34 3HD2 LEU 34 9.067 5.033 -0.221 264 H LYS 35 H LYS 35 10.626 5.898 3.618 265 HA LYS 35 HA LYS 35 11.102 4.492 6.033 266 1HB LYS 35 2HB LYS 35 10.343 7.319 5.363 267 2HB LYS 35 1HB LYS 35 10.459 6.779 7.030 268 1HG LYS 35 2HG LYS 35 12.719 6.456 5.079 269 2HG LYS 35 1HG LYS 35 12.498 7.920 6.044 270 1HD LYS 35 2HD LYS 35 12.811 5.121 7.132 271 2HD LYS 35 1HD LYS 35 14.073 6.354 7.096 272 1HE LYS 35 2HE LYS 35 12.798 7.767 8.580 273 2HE LYS 35 1HE LYS 35 11.431 6.654 8.520 274 1HZ LYS 35 1HZ LYS 35 14.104 5.950 9.607 275 2HZ LYS 35 2HZ LYS 35 12.692 5.010 9.667 276 3HZ LYS 35 3HZ LYS 35 12.783 6.450 10.549 277 H ARG 36 H ARG 36 9.759 4.521 7.894 278 HA ARG 36 HA ARG 36 7.222 3.451 7.572 279 1HB ARG 36 2HB ARG 36 8.721 3.323 9.589 280 2HB ARG 36 1HB ARG 36 8.222 4.960 9.987 281 1HG ARG 36 2HG ARG 36 5.990 4.294 10.372 282 2HG ARG 36 1HG ARG 36 6.272 2.703 9.657 283 1HD ARG 36 2HD ARG 36 7.839 2.179 11.457 284 2HD ARG 36 1HD ARG 36 7.527 3.756 12.189 285 HE ARG 36 HE ARG 36 5.118 2.269 11.798 286 1HH1 ARG 36 1HH1 ARG 36 7.879 2.654 13.925 287 2HH1 ARG 36 2HH1 ARG 36 7.068 1.970 15.304 288 1HH2 ARG 36 1HH2 ARG 36 4.058 1.374 13.594 289 2HH2 ARG 36 2HH2 ARG 36 4.890 1.230 15.113 290 H GLY 37 H GLY 37 5.204 4.296 7.422 291 1HA GLY 37 2HA GLY 37 3.570 5.991 7.736 292 2HA GLY 37 1HA GLY 37 4.860 7.176 7.855 293 H THR 38 H THR 38 5.899 5.538 5.319 294 HA THR 38 HA THR 38 5.107 7.406 3.379 295 HB THR 38 HB THR 38 6.129 4.580 2.960 296 HG1 THR 38 1HG THR 38 7.674 5.778 4.028 297 1HG2 THR 38 1HG2 THR 38 6.803 5.351 0.730 298 2HG2 THR 38 2HG2 THR 38 6.032 6.910 1.033 299 3HG2 THR 38 3HG2 THR 38 5.053 5.447 0.938 300 H MET 39 H MET 39 3.195 7.661 2.419 301 HA MET 39 HA MET 39 1.229 5.545 2.614 302 1HB MET 39 2HB MET 39 0.257 7.585 3.177 303 2HB MET 39 1HB MET 39 1.089 8.449 1.890 304 1HG MET 39 2HG MET 39 -0.375 7.696 0.258 305 2HG MET 39 1HG MET 39 -0.921 6.336 1.235 306 1HE MET 39 1HE MET 39 -2.805 6.364 2.879 307 2HE MET 39 2HE MET 39 -3.444 7.810 3.662 308 3HE MET 39 3HE MET 39 -1.773 7.321 3.942 309 H ILE 40 H ILE 40 0.925 4.138 1.123 310 HA ILE 40 HA ILE 40 1.463 4.867 -1.687 311 HB ILE 40 HB ILE 40 1.319 2.081 -0.509 312 1HG1 ILE 40 2HG1 ILE 40 3.728 3.690 -1.389 313 2HG1 ILE 40 1HG1 ILE 40 3.321 3.274 0.272 314 1HG2 ILE 40 1HG2 ILE 40 2.101 3.044 -3.259 315 2HG2 ILE 40 2HG2 ILE 40 0.636 2.157 -2.838 316 3HG2 ILE 40 3HG2 ILE 40 2.211 1.378 -2.692 317 1HD1 ILE 40 1HD1 ILE 40 3.630 0.913 -0.243 318 2HD1 ILE 40 2HD1 ILE 40 5.082 1.847 -0.604 319 3HD1 ILE 40 3HD1 ILE 40 4.020 1.327 -1.912 320 H ARG 41 H ARG 41 -0.544 5.754 -2.152 321 HA ARG 41 HA ARG 41 -2.836 3.986 -1.679 322 1HB ARG 41 2HB ARG 41 -4.273 5.984 -1.714 323 2HB ARG 41 1HB ARG 41 -3.087 6.026 -0.424 324 1HG ARG 41 2HG ARG 41 -2.743 8.120 -1.103 325 2HG ARG 41 1HG ARG 41 -1.790 7.381 -2.390 326 1HD ARG 41 2HD ARG 41 -3.432 9.033 -3.227 327 2HD ARG 41 1HD ARG 41 -3.694 7.413 -3.874 328 HE ARG 41 HE ARG 41 -5.249 7.762 -1.548 329 1HH1 ARG 41 1HH1 ARG 41 -5.105 8.863 -4.864 330 2HH1 ARG 41 2HH1 ARG 41 -6.816 9.097 -4.997 331 1HH2 ARG 41 1HH2 ARG 41 -7.502 8.000 -1.723 332 2HH2 ARG 41 2HH2 ARG 41 -8.190 8.586 -3.217 333 H GLY 42 H GLY 42 -4.181 3.455 -3.290 334 1HA GLY 42 2HA GLY 42 -4.934 3.531 -5.563 335 2HA GLY 42 1HA GLY 42 -3.430 4.342 -5.994 336 H ILE 43 H ILE 43 -3.992 1.452 -4.036 337 HA ILE 43 HA ILE 43 -2.060 0.026 -5.709 338 HB ILE 43 HB ILE 43 -1.743 -1.507 -3.905 339 1HG1 ILE 43 2HG1 ILE 43 -3.092 -0.855 -1.679 340 2HG1 ILE 43 1HG1 ILE 43 -4.300 -0.376 -2.865 341 1HG2 ILE 43 1HG2 ILE 43 -0.634 0.673 -3.722 342 2HG2 ILE 43 2HG2 ILE 43 -0.939 -0.063 -2.150 343 3HG2 ILE 43 3HG2 ILE 43 -1.968 1.250 -2.724 344 1HD1 ILE 43 1HD1 ILE 43 -4.655 -2.645 -2.052 345 2HD1 ILE 43 2HD1 ILE 43 -3.055 -3.107 -2.638 346 3HD1 ILE 43 3HD1 ILE 43 -4.309 -2.625 -3.781 347 H ARG 44 H ARG 44 -2.519 -2.182 -6.302 348 HA ARG 44 HA ARG 44 -5.363 -2.874 -6.280 349 1HB ARG 44 2HB ARG 44 -5.046 -3.752 -8.637 350 2HB ARG 44 1HB ARG 44 -5.162 -2.011 -8.443 351 1HG ARG 44 2HG ARG 44 -2.966 -1.665 -8.979 352 2HG ARG 44 1HG ARG 44 -2.477 -3.287 -8.477 353 1HD ARG 44 2HD ARG 44 -2.563 -2.762 -10.993 354 2HD ARG 44 1HD ARG 44 -3.276 -4.268 -10.419 355 HE ARG 44 HE ARG 44 -5.418 -2.721 -10.402 356 1HH1 ARG 44 1HH1 ARG 44 -2.905 -2.981 -12.846 357 2HH1 ARG 44 2HH1 ARG 44 -3.986 -2.592 -14.162 358 1HH2 ARG 44 1HH2 ARG 44 -6.818 -2.253 -12.100 359 2HH2 ARG 44 2HH2 ARG 44 -6.224 -2.174 -13.734 360 H LEU 45 H LEU 45 -5.818 -5.098 -6.567 361 HA LEU 45 HA LEU 45 -3.887 -6.833 -5.352 362 1HB LEU 45 2HB LEU 45 -6.464 -7.640 -6.701 363 2HB LEU 45 1HB LEU 45 -5.580 -8.524 -5.471 364 HG LEU 45 HG LEU 45 -7.139 -5.975 -5.099 365 1HD1 LEU 45 1HD1 LEU 45 -7.538 -8.749 -4.004 366 2HD1 LEU 45 2HD1 LEU 45 -8.504 -7.979 -5.264 367 3HD1 LEU 45 3HD1 LEU 45 -8.519 -7.334 -3.622 368 1HD2 LEU 45 1HD2 LEU 45 -5.119 -5.919 -3.735 369 2HD2 LEU 45 2HD2 LEU 45 -5.528 -7.501 -3.070 370 3HD2 LEU 45 3HD2 LEU 45 -6.567 -6.112 -2.746 371 H THR 46 H THR 46 -2.904 -8.635 -6.333 372 HA THR 46 HA THR 46 -2.826 -8.524 -9.277 373 HB THR 46 HB THR 46 -0.503 -9.327 -9.166 374 HG1 THR 46 1HG THR 46 -0.757 -8.966 -6.337 375 1HG2 THR 46 1HG2 THR 46 -0.957 -6.840 -7.516 376 2HG2 THR 46 2HG2 THR 46 -0.889 -6.918 -9.276 377 3HG2 THR 46 3HG2 THR 46 0.549 -7.281 -8.321 378 H ASP 47 H ASP 47 -1.499 -10.842 -9.815 379 HA ASP 47 HA ASP 47 -3.354 -12.899 -9.092 380 1HB ASP 47 2HB ASP 47 -0.781 -12.904 -10.664 381 2HB ASP 47 1HB ASP 47 -1.648 -14.391 -10.295 382 H SER 48 H SER 48 -0.840 -11.493 -7.484 383 HA SER 48 HA SER 48 -0.248 -13.868 -5.897 384 1HB SER 48 2HB SER 48 0.912 -11.079 -5.804 385 2HB SER 48 1HB SER 48 1.474 -12.456 -4.874 386 HG SER 48 HG SER 48 2.523 -11.840 -7.033 387 H GLU 49 H GLU 49 -0.937 -14.060 -3.826 388 HA GLU 49 HA GLU 49 -3.013 -12.196 -2.963 389 1HB GLU 49 2HB GLU 49 -2.373 -14.513 -1.251 390 2HB GLU 49 1HB GLU 49 -3.931 -13.912 -1.795 391 1HG GLU 49 2HG GLU 49 -3.821 -15.960 -2.827 392 2HG GLU 49 1HG GLU 49 -3.213 -14.892 -4.091 393 H ASP 50 H ASP 50 0.252 -12.840 -2.407 394 HA ASP 50 HA ASP 50 0.194 -11.530 0.221 395 1HB ASP 50 2HB ASP 50 1.334 -13.796 -0.065 396 2HB ASP 50 1HB ASP 50 2.548 -12.957 -1.021 397 H GLU 51 H GLU 51 0.599 -10.850 -2.973 398 HA GLU 51 HA GLU 51 2.304 -8.530 -2.382 399 1HB GLU 51 2HB GLU 51 2.304 -10.222 -4.879 400 2HB GLU 51 1HB GLU 51 3.036 -8.633 -4.796 401 1HG GLU 51 2HG GLU 51 4.888 -9.789 -4.323 402 2HG GLU 51 1HG GLU 51 4.220 -9.816 -2.692 403 H ILE 52 H ILE 52 1.753 -6.625 -3.294 404 HA ILE 52 HA ILE 52 -0.576 -6.549 -5.091 405 HB ILE 52 HB ILE 52 -1.224 -4.367 -4.061 406 1HG1 ILE 52 2HG1 ILE 52 0.343 -5.161 -1.631 407 2HG1 ILE 52 1HG1 ILE 52 1.112 -4.220 -2.904 408 1HG2 ILE 52 1HG2 ILE 52 -2.429 -5.325 -2.194 409 2HG2 ILE 52 2HG2 ILE 52 -1.355 -6.724 -2.196 410 3HG2 ILE 52 3HG2 ILE 52 -2.429 -6.435 -3.564 411 1HD1 ILE 52 1HD1 ILE 52 -1.367 -3.434 -1.395 412 2HD1 ILE 52 2HD1 ILE 52 -0.574 -2.491 -2.659 413 3HD1 ILE 52 3HD1 ILE 52 0.258 -2.796 -1.133 414 H GLU 53 H GLU 53 -0.666 -4.329 -6.178 415 HA GLU 53 HA GLU 53 2.041 -3.242 -6.563 416 1HB GLU 53 2HB GLU 53 1.281 -4.573 -8.497 417 2HB GLU 53 1HB GLU 53 -0.135 -3.556 -8.609 418 1HG GLU 53 2HG GLU 53 1.354 -1.604 -9.005 419 2HG GLU 53 1HG GLU 53 2.715 -2.722 -9.056 420 H GLY 54 H GLY 54 2.176 -1.069 -6.275 421 1HA GLY 54 2HA GLY 54 -0.349 0.440 -6.242 422 2HA GLY 54 1HA GLY 54 0.702 0.485 -4.838 423 H ARG 55 H ARG 55 0.560 2.817 -5.324 424 HA ARG 55 HA ARG 55 2.849 3.609 -6.927 425 1HB ARG 55 2HB ARG 55 1.508 5.441 -8.004 426 2HB ARG 55 1HB ARG 55 1.148 3.814 -8.567 427 1HG ARG 55 2HG ARG 55 -0.794 3.808 -6.983 428 2HG ARG 55 1HG ARG 55 -0.492 5.528 -6.732 429 1HD ARG 55 2HD ARG 55 -1.014 6.074 -8.925 430 2HD ARG 55 1HD ARG 55 -0.762 4.429 -9.499 431 HE ARG 55 HE ARG 55 -3.069 5.186 -7.822 432 1HH1 ARG 55 1HH1 ARG 55 -1.636 3.512 -10.526 433 2HH1 ARG 55 2HH1 ARG 55 -3.137 2.848 -11.094 434 1HH2 ARG 55 1HH2 ARG 55 -5.081 4.305 -8.551 435 2HH2 ARG 55 2HH2 ARG 55 -5.093 3.307 -9.982 436 H THR 56 H THR 56 3.774 5.484 -6.252 437 HA THR 56 HA THR 56 2.705 6.646 -3.764 438 HB THR 56 HB THR 56 4.991 7.102 -3.067 439 HG1 THR 56 1HG THR 56 5.751 5.869 -5.527 440 1HG2 THR 56 1HG2 THR 56 4.718 4.255 -4.032 441 2HG2 THR 56 2HG2 THR 56 4.146 4.892 -2.488 442 3HG2 THR 56 3HG2 THR 56 5.876 4.820 -2.830 443 H ASP 57 H ASP 57 4.168 8.848 -3.490 444 HA ASP 57 HA ASP 57 3.232 10.721 -5.358 445 1HB ASP 57 2HB ASP 57 5.687 11.078 -3.634 446 2HB ASP 57 1HB ASP 57 4.575 12.319 -4.195 447 H LYS 58 H LYS 58 6.006 8.671 -5.332 448 HA LYS 58 HA LYS 58 7.142 10.095 -7.647 449 1HB LYS 58 2HB LYS 58 8.595 8.552 -5.491 450 2HB LYS 58 1HB LYS 58 9.353 9.245 -6.916 451 1HG LYS 58 2HG LYS 58 8.709 11.481 -6.179 452 2HG LYS 58 1HG LYS 58 7.935 10.786 -4.754 453 1HD LYS 58 2HD LYS 58 10.088 9.902 -4.011 454 2HD LYS 58 1HD LYS 58 10.865 10.583 -5.443 455 1HE LYS 58 2HE LYS 58 9.459 12.140 -3.276 456 2HE LYS 58 1HE LYS 58 11.203 12.005 -3.485 457 1HZ LYS 58 1HZ LYS 58 9.300 13.260 -5.396 458 2HZ LYS 58 2HZ LYS 58 10.964 13.079 -5.660 459 3HZ LYS 58 3HZ LYS 58 10.410 14.074 -4.400 460 H ILE 59 H ILE 59 7.663 6.937 -6.113 461 HA ILE 59 HA ILE 59 7.933 5.606 -8.634 462 HB ILE 59 HB ILE 59 7.443 4.190 -6.020 463 1HG1 ILE 59 2HG1 ILE 59 9.177 5.859 -5.562 464 2HG1 ILE 59 1HG1 ILE 59 9.883 4.247 -5.611 465 1HG2 ILE 59 1HG2 ILE 59 7.489 2.862 -8.078 466 2HG2 ILE 59 2HG2 ILE 59 8.834 2.463 -7.009 467 3HG2 ILE 59 3HG2 ILE 59 9.108 3.471 -8.431 468 1HD1 ILE 59 1HD1 ILE 59 11.305 5.859 -6.720 469 2HD1 ILE 59 2HD1 ILE 59 9.989 6.293 -7.809 470 3HD1 ILE 59 3HD1 ILE 59 10.689 4.677 -7.875 471 H LYS 60 H LYS 60 6.180 5.347 -9.888 472 HA LYS 60 HA LYS 60 3.683 4.490 -8.580 473 1HB LYS 60 2HB LYS 60 2.513 5.271 -10.586 474 2HB LYS 60 1HB LYS 60 3.467 6.566 -9.875 475 1HG LYS 60 2HG LYS 60 5.175 6.283 -11.551 476 2HG LYS 60 1HG LYS 60 4.322 4.889 -12.212 477 1HD LYS 60 2HD LYS 60 3.910 6.846 -13.588 478 2HD LYS 60 1HD LYS 60 2.421 6.347 -12.785 479 1HE LYS 60 2HE LYS 60 2.746 8.087 -11.096 480 2HE LYS 60 1HE LYS 60 4.242 8.580 -11.887 481 1HZ LYS 60 1HZ LYS 60 3.000 9.223 -13.834 482 2HZ LYS 60 2HZ LYS 60 2.347 9.999 -12.474 483 3HZ LYS 60 3HZ LYS 60 1.551 8.659 -13.151 484 H GLY 61 H GLY 61 2.740 2.582 -9.165 485 1HA GLY 61 2HA GLY 61 2.458 0.559 -10.221 486 2HA GLY 61 1HA GLY 61 3.504 1.132 -11.511 487 H LEU 62 H LEU 62 4.028 0.575 -8.025 488 HA LEU 62 HA LEU 62 6.217 -1.225 -8.797 489 1HB LEU 62 2HB LEU 62 7.465 -0.607 -6.922 490 2HB LEU 62 1HB LEU 62 6.840 0.906 -7.538 491 HG LEU 62 HG LEU 62 5.595 -0.567 -5.224 492 1HD1 LEU 62 1HD1 LEU 62 7.614 1.675 -5.193 493 2HD1 LEU 62 2HD1 LEU 62 7.899 0.014 -4.674 494 3HD1 LEU 62 3HD1 LEU 62 6.767 1.035 -3.787 495 1HD2 LEU 62 1HD2 LEU 62 4.639 1.656 -4.735 496 2HD2 LEU 62 2HD2 LEU 62 4.104 1.016 -6.287 497 3HD2 LEU 62 3HD2 LEU 62 5.345 2.267 -6.231 498 H VAL 63 H VAL 63 6.267 -3.238 -7.963 499 HA VAL 63 HA VAL 63 3.779 -4.111 -6.687 500 HB VAL 63 HB VAL 63 5.942 -5.788 -7.975 501 1HG1 VAL 63 1HG1 VAL 63 4.251 -7.568 -7.961 502 2HG1 VAL 63 2HG1 VAL 63 3.147 -6.502 -7.094 503 3HG1 VAL 63 3HG1 VAL 63 4.647 -7.027 -6.330 504 1HG2 VAL 63 1HG2 VAL 63 3.294 -4.871 -9.086 505 2HG2 VAL 63 2HG2 VAL 63 4.389 -6.017 -9.859 506 3HG2 VAL 63 3HG2 VAL 63 4.890 -4.343 -9.617 507 H LEU 64 H LEU 64 3.756 -4.550 -4.604 508 HA LEU 64 HA LEU 64 6.266 -5.372 -3.314 509 1HB LEU 64 2HB LEU 64 4.490 -3.101 -2.506 510 2HB LEU 64 1HB LEU 64 5.464 -3.944 -1.321 511 HG LEU 64 HG LEU 64 6.658 -2.704 -3.789 512 1HD1 LEU 64 1HD1 LEU 64 5.575 -0.926 -2.583 513 2HD1 LEU 64 2HD1 LEU 64 7.316 -0.832 -2.316 514 3HD1 LEU 64 3HD1 LEU 64 6.267 -1.489 -1.059 515 1HD2 LEU 64 1HD2 LEU 64 7.739 -3.757 -1.181 516 2HD2 LEU 64 2HD2 LEU 64 8.685 -2.757 -2.287 517 3HD2 LEU 64 3HD2 LEU 64 8.086 -4.327 -2.816 518 H ARG 65 H ARG 65 6.122 -6.919 -1.900 519 HA ARG 65 HA ARG 65 3.855 -8.364 -1.236 520 1HB ARG 65 2HB ARG 65 5.260 -8.967 0.857 521 2HB ARG 65 1HB ARG 65 5.858 -9.423 -0.729 522 1HG ARG 65 2HG ARG 65 7.335 -7.501 -0.747 523 2HG ARG 65 1HG ARG 65 6.730 -6.987 0.824 524 1HD ARG 65 2HD ARG 65 8.765 -8.128 1.241 525 2HD ARG 65 1HD ARG 65 7.490 -9.267 1.674 526 HE ARG 65 HE ARG 65 8.680 -9.408 -1.001 527 1HH1 ARG 65 1HH1 ARG 65 8.089 -10.895 2.122 528 2HH1 ARG 65 2HH1 ARG 65 8.806 -12.416 1.657 529 1HH2 ARG 65 1HH2 ARG 65 9.589 -11.415 -1.606 530 2HH2 ARG 65 2HH2 ARG 65 9.660 -12.702 -0.440 531 H THR 66 H THR 66 2.318 -8.186 0.261 532 HA THR 66 HA THR 66 2.032 -5.562 1.478 533 HB THR 66 HB THR 66 0.192 -6.466 0.142 534 HG1 THR 66 1HG THR 66 -1.073 -6.645 2.558 535 1HG2 THR 66 1HG2 THR 66 0.073 -8.656 2.215 536 2HG2 THR 66 2HG2 THR 66 0.538 -8.840 0.523 537 3HG2 THR 66 3HG2 THR 66 -1.116 -8.388 0.939 538 H GLU 67 H GLU 67 3.985 -7.408 2.616 539 HA GLU 67 HA GLU 67 2.808 -8.499 5.036 540 1HB GLU 67 2HB GLU 67 5.729 -8.111 4.405 541 2HB GLU 67 1HB GLU 67 5.032 -9.199 5.594 542 1HG GLU 67 2HG GLU 67 3.924 -10.358 3.650 543 2HG GLU 67 1HG GLU 67 5.008 -9.430 2.618 544 H PHE 68 H PHE 68 4.513 -5.730 3.967 545 HA PHE 68 HA PHE 68 4.710 -4.728 6.721 546 1HB PHE 68 2HB PHE 68 6.684 -3.445 5.951 547 2HB PHE 68 1HB PHE 68 6.872 -5.184 5.746 548 HD1 PHE 68 1HD PHE 68 7.398 -6.106 3.707 549 HD2 PHE 68 2HD PHE 68 6.081 -2.073 3.901 550 HE1 PHE 68 1HE PHE 68 7.994 -5.805 1.338 551 HE2 PHE 68 2HE PHE 68 6.667 -1.761 1.529 552 HZ PHE 68 HZ PHE 68 7.627 -3.629 0.247 553 H LEU 69 H LEU 69 2.540 -4.493 4.635 554 HA LEU 69 HA LEU 69 2.444 -1.555 4.578 555 1HB LEU 69 2HB LEU 69 1.051 -3.460 2.704 556 2HB LEU 69 1HB LEU 69 0.968 -1.715 2.643 557 HG LEU 69 HG LEU 69 3.488 -3.316 2.201 558 1HD1 LEU 69 1HD1 LEU 69 3.223 -2.731 -0.153 559 2HD1 LEU 69 2HD1 LEU 69 1.678 -1.961 0.208 560 3HD1 LEU 69 3HD1 LEU 69 1.866 -3.701 0.419 561 1HD2 LEU 69 1HD2 LEU 69 3.921 -1.095 3.072 562 2HD2 LEU 69 2HD2 LEU 69 2.872 -0.385 1.846 563 3HD2 LEU 69 3HD2 LEU 69 4.374 -1.180 1.370 564 H LYS 70 H LYS 70 0.611 -0.565 5.186 565 HA LYS 70 HA LYS 70 -1.328 -2.233 6.648 566 1HB LYS 70 2HB LYS 70 0.450 -0.481 7.738 567 2HB LYS 70 1HB LYS 70 -0.938 0.569 7.490 568 1HG LYS 70 2HG LYS 70 -1.039 -2.052 8.947 569 2HG LYS 70 1HG LYS 70 -0.813 -0.493 9.737 570 1HD LYS 70 2HD LYS 70 -3.145 -0.882 7.918 571 2HD LYS 70 1HD LYS 70 -3.201 -1.566 9.538 572 1HE LYS 70 2HE LYS 70 -4.208 0.568 9.690 573 2HE LYS 70 1HE LYS 70 -2.601 0.734 10.396 574 1HZ LYS 70 1HZ LYS 70 -1.820 1.758 8.380 575 2HZ LYS 70 2HZ LYS 70 -3.207 2.579 8.911 576 3HZ LYS 70 3HZ LYS 70 -3.314 1.493 7.618 577 H LYS 71 H LYS 71 -3.414 -1.961 6.072 578 HA LYS 71 HA LYS 71 -4.164 -0.361 3.889 579 1HB LYS 71 2HB LYS 71 -5.391 -2.389 4.748 580 2HB LYS 71 1HB LYS 71 -6.003 -1.391 6.058 581 1HG LYS 71 2HG LYS 71 -6.973 0.121 4.280 582 2HG LYS 71 1HG LYS 71 -6.574 -1.146 3.121 583 1HD LYS 71 2HD LYS 71 -7.935 -2.737 4.400 584 2HD LYS 71 1HD LYS 71 -8.346 -1.459 5.543 585 1HE LYS 71 2HE LYS 71 -10.175 -1.672 4.045 586 2HE LYS 71 1HE LYS 71 -9.330 -0.186 3.623 587 1HZ LYS 71 1HZ LYS 71 -8.927 -2.773 2.226 588 2HZ LYS 71 2HZ LYS 71 -8.327 -1.253 1.756 589 3HZ LYS 71 3HZ LYS 71 -9.995 -1.569 1.697 590 H ALA 72 H ALA 72 -4.733 1.729 3.740 591 HA ALA 72 HA ALA 72 -4.531 3.297 6.215 592 1HB ALA 72 1HB ALA 72 -2.901 3.753 4.427 593 2HB ALA 72 2HB ALA 72 -3.911 5.156 4.779 594 3HB ALA 72 3HB ALA 72 -4.228 4.180 3.342 595 H GLY 73 H GLY 73 -5.614 5.640 4.734 596 1HA GLY 73 2HA GLY 73 -8.402 4.901 4.272 597 2HA GLY 73 1HA GLY 73 -8.066 6.098 5.517 598 H SER 74 H SER 74 -9.473 6.223 2.885 599 HA SER 74 HA SER 74 -9.788 7.612 1.146 600 1HB SER 74 2HB SER 74 -9.167 10.020 1.565 601 2HB SER 74 1HB SER 74 -10.131 9.264 2.829 602 HG SER 74 HG SER 74 -7.379 9.087 3.126 Start of MODEL 7 1 1H MET 1 1HT MET 1 -13.086 -17.080 -7.654 2 2H MET 1 2HT MET 1 -13.077 -15.941 -6.395 3 3H MET 1 3HT MET 1 -13.016 -17.599 -6.042 4 HA MET 1 HA MET 1 -10.864 -17.821 -6.962 5 1HB MET 1 2HB MET 1 -11.211 -14.918 -7.729 6 2HB MET 1 1HB MET 1 -9.666 -15.756 -7.765 7 1HG MET 1 2HG MET 1 -10.554 -17.328 -9.405 8 2HG MET 1 1HG MET 1 -12.105 -16.492 -9.366 9 1HE MET 1 1HE MET 1 -10.583 -15.608 -12.889 10 2HE MET 1 2HE MET 1 -11.941 -16.345 -12.039 11 3HE MET 1 3HE MET 1 -10.355 -17.116 -12.002 12 H SER 2 H SER 2 -10.310 -18.273 -4.880 13 HA SER 2 HA SER 2 -10.317 -16.222 -2.864 14 1HB SER 2 2HB SER 2 -9.206 -19.036 -2.752 15 2HB SER 2 1HB SER 2 -9.477 -17.971 -1.373 16 HG SER 2 HG SER 2 -11.208 -19.393 -1.589 17 H ILE 3 H ILE 3 -8.907 -14.707 -3.790 18 HA ILE 3 HA ILE 3 -6.093 -15.334 -3.200 19 HB ILE 3 HB ILE 3 -5.411 -13.665 -4.911 20 1HG1 ILE 3 2HG1 ILE 3 -8.284 -13.837 -5.843 21 2HG1 ILE 3 1HG1 ILE 3 -7.574 -12.448 -5.031 22 1HG2 ILE 3 1HG2 ILE 3 -6.978 -16.016 -5.956 23 2HG2 ILE 3 2HG2 ILE 3 -5.301 -16.029 -5.413 24 3HG2 ILE 3 3HG2 ILE 3 -5.752 -15.122 -6.856 25 1HD1 ILE 3 1HD1 ILE 3 -6.012 -12.164 -6.880 26 2HD1 ILE 3 2HD1 ILE 3 -7.688 -12.099 -7.427 27 3HD1 ILE 3 3HD1 ILE 3 -6.726 -13.553 -7.697 28 H GLU 4 H GLU 4 -7.764 -14.486 -1.292 29 HA GLU 4 HA GLU 4 -8.240 -11.730 -1.115 30 1HB GLU 4 2HB GLU 4 -7.993 -13.835 1.024 31 2HB GLU 4 1HB GLU 4 -8.494 -12.179 1.340 32 1HG GLU 4 2HG GLU 4 -10.445 -12.419 0.041 33 2HG GLU 4 1HG GLU 4 -9.889 -13.955 -0.620 34 H VAL 5 H VAL 5 -6.701 -10.321 -1.308 35 HA VAL 5 HA VAL 5 -4.152 -10.669 0.070 36 HB VAL 5 HB VAL 5 -4.933 -8.241 -1.529 37 1HG1 VAL 5 1HG1 VAL 5 -2.878 -8.148 -0.211 38 2HG1 VAL 5 2HG1 VAL 5 -2.535 -8.098 -1.941 39 3HG1 VAL 5 3HG1 VAL 5 -2.281 -9.590 -1.035 40 1HG2 VAL 5 1HG2 VAL 5 -5.422 -10.235 -2.904 41 2HG2 VAL 5 2HG2 VAL 5 -3.752 -10.760 -2.688 42 3HG2 VAL 5 3HG2 VAL 5 -4.101 -9.260 -3.548 43 H ARG 6 H ARG 6 -3.830 -9.821 2.028 44 HA ARG 6 HA ARG 6 -5.485 -7.528 2.839 45 1HB ARG 6 2HB ARG 6 -4.639 -9.744 4.724 46 2HB ARG 6 1HB ARG 6 -5.674 -8.376 5.092 47 1HG ARG 6 2HG ARG 6 -7.326 -9.847 4.792 48 2HG ARG 6 1HG ARG 6 -7.064 -9.514 3.080 49 1HD ARG 6 2HD ARG 6 -5.702 -11.452 2.832 50 2HD ARG 6 1HD ARG 6 -5.652 -11.714 4.574 51 HE ARG 6 HE ARG 6 -8.173 -11.918 3.061 52 1HH1 ARG 6 1HH1 ARG 6 -5.829 -13.210 5.302 53 2HH1 ARG 6 2HH1 ARG 6 -6.761 -14.634 5.665 54 1HH2 ARG 6 1HH2 ARG 6 -9.433 -13.786 3.535 55 2HH2 ARG 6 2HH2 ARG 6 -8.799 -14.970 4.654 56 H ASP 7 H ASP 7 -4.460 -6.435 4.834 57 HA ASP 7 HA ASP 7 -1.690 -5.886 4.156 58 1HB ASP 7 2HB ASP 7 -1.885 -4.028 5.711 59 2HB ASP 7 1HB ASP 7 -3.289 -4.047 4.653 60 H CYS 8 H CYS 8 -0.735 -5.159 6.710 61 HA CYS 8 HA CYS 8 0.067 -7.758 7.666 62 1HB CYS 8 2HB CYS 8 1.460 -6.422 9.257 63 2HB CYS 8 1HB CYS 8 1.718 -6.001 7.568 64 HG CYS 8 HG CYS 8 0.651 -3.581 7.611 65 H ASN 9 H ASN 9 -2.728 -6.437 8.034 66 HA ASN 9 HA ASN 9 -2.987 -6.943 10.930 67 1HB ASN 9 2HB ASN 9 -3.436 -4.582 10.026 68 2HB ASN 9 1HB ASN 9 -4.847 -5.270 9.252 69 1HD2 ASN 9 1HD2 ASN 9 -3.711 -6.361 12.373 70 2HD2 ASN 9 2HD2 ASN 9 -5.040 -5.717 13.278 71 H GLY 10 H GLY 10 -4.570 -7.118 7.790 72 1HA GLY 10 2HA GLY 10 -5.636 -9.392 7.380 73 2HA GLY 10 1HA GLY 10 -6.468 -9.083 8.898 74 H ALA 11 H ALA 11 -6.004 -6.183 7.380 75 HA ALA 11 HA ALA 11 -8.761 -5.990 6.579 76 1HB ALA 11 1HB ALA 11 -8.225 -3.678 6.025 77 2HB ALA 11 2HB ALA 11 -6.508 -4.006 6.252 78 3HB ALA 11 3HB ALA 11 -7.610 -4.090 7.625 79 H LEU 12 H LEU 12 -9.556 -6.315 4.618 80 HA LEU 12 HA LEU 12 -7.880 -7.495 2.634 81 1HB LEU 12 2HB LEU 12 -10.803 -6.839 2.787 82 2HB LEU 12 1HB LEU 12 -10.087 -7.448 1.307 83 HG LEU 12 HG LEU 12 -9.691 -8.953 3.868 84 1HD1 LEU 12 1HD1 LEU 12 -12.099 -9.157 2.052 85 2HD1 LEU 12 2HD1 LEU 12 -12.107 -8.554 3.709 86 3HD1 LEU 12 3HD1 LEU 12 -11.715 -10.243 3.387 87 1HD2 LEU 12 1HD2 LEU 12 -9.906 -9.769 0.971 88 2HD2 LEU 12 2HD2 LEU 12 -9.559 -10.841 2.327 89 3HD2 LEU 12 3HD2 LEU 12 -8.410 -9.579 1.883 90 H LEU 13 H LEU 13 -7.090 -6.709 0.811 91 HA LEU 13 HA LEU 13 -7.505 -3.858 0.253 92 1HB LEU 13 2HB LEU 13 -5.287 -5.740 -0.552 93 2HB LEU 13 1HB LEU 13 -5.402 -4.068 -1.066 94 HG LEU 13 HG LEU 13 -5.162 -4.934 1.810 95 1HD1 LEU 13 1HD1 LEU 13 -2.840 -4.195 1.662 96 2HD1 LEU 13 2HD1 LEU 13 -3.044 -3.882 -0.061 97 3HD1 LEU 13 3HD1 LEU 13 -3.153 -5.531 0.555 98 1HD2 LEU 13 1HD2 LEU 13 -4.645 -2.582 2.210 99 2HD2 LEU 13 2HD2 LEU 13 -6.244 -2.767 1.490 100 3HD2 LEU 13 3HD2 LEU 13 -4.888 -2.231 0.497 101 H ALA 14 H ALA 14 -7.486 -3.235 -2.027 102 HA ALA 14 HA ALA 14 -8.095 -5.210 -4.026 103 1HB ALA 14 1HB ALA 14 -10.274 -5.013 -2.906 104 2HB ALA 14 2HB ALA 14 -10.332 -4.401 -4.559 105 3HB ALA 14 3HB ALA 14 -10.263 -3.275 -3.202 106 H ASP 15 H ASP 15 -8.893 -3.894 -6.093 107 HA ASP 15 HA ASP 15 -6.879 -2.019 -6.724 108 1HB ASP 15 2HB ASP 15 -8.048 -3.404 -8.420 109 2HB ASP 15 1HB ASP 15 -9.516 -2.475 -8.142 110 H GLY 16 H GLY 16 -6.740 0.074 -6.298 111 1HA GLY 16 2HA GLY 16 -7.512 2.288 -6.167 112 2HA GLY 16 1HA GLY 16 -9.161 1.688 -6.056 113 H ASP 17 H ASP 17 -6.898 0.134 -4.036 114 HA ASP 17 HA ASP 17 -8.102 1.415 -1.699 115 1HB ASP 17 2HB ASP 17 -7.758 -1.191 -2.147 116 2HB ASP 17 1HB ASP 17 -6.193 -0.856 -1.423 117 H ASN 18 H ASN 18 -6.413 1.452 0.247 118 HA ASN 18 HA ASN 18 -3.946 2.666 -0.763 119 1HB ASN 18 2HB ASN 18 -4.168 4.410 1.067 120 2HB ASN 18 1HB ASN 18 -5.202 4.597 -0.338 121 1HD2 ASN 18 1HD2 ASN 18 -6.552 5.893 0.829 122 2HD2 ASN 18 2HD2 ASN 18 -7.671 5.277 2.000 123 H VAL 19 H VAL 19 -2.166 2.373 0.379 124 HA VAL 19 HA VAL 19 -2.369 0.990 2.966 125 HB VAL 19 HB VAL 19 -0.491 -0.467 2.402 126 1HG1 VAL 19 1HG1 VAL 19 -2.712 -1.335 2.027 127 2HG1 VAL 19 2HG1 VAL 19 -1.618 -1.937 0.782 128 3HG1 VAL 19 3HG1 VAL 19 -2.745 -0.633 0.410 129 1HG2 VAL 19 1HG2 VAL 19 0.331 -0.646 0.098 130 2HG2 VAL 19 2HG2 VAL 19 0.651 0.944 0.789 131 3HG2 VAL 19 3HG2 VAL 19 -0.671 0.732 -0.359 132 H SER 20 H SER 20 -0.108 0.987 4.035 133 HA SER 20 HA SER 20 1.608 3.167 3.241 134 1HB SER 20 2HB SER 20 0.077 3.219 5.836 135 2HB SER 20 1HB SER 20 1.481 4.233 5.522 136 HG SER 20 HG SER 20 -0.493 4.272 3.587 137 H LEU 21 H LEU 21 3.631 3.155 4.281 138 HA LEU 21 HA LEU 21 4.684 0.588 4.771 139 1HB LEU 21 2HB LEU 21 5.699 3.386 4.946 140 2HB LEU 21 1HB LEU 21 6.652 2.112 5.673 141 HG LEU 21 HG LEU 21 7.367 2.741 3.375 142 1HD1 LEU 21 1HD1 LEU 21 7.997 0.616 4.232 143 2HD1 LEU 21 2HD1 LEU 21 7.510 0.401 2.550 144 3HD1 LEU 21 3HD1 LEU 21 6.417 -0.070 3.854 145 1HD2 LEU 21 1HD2 LEU 21 4.756 1.478 2.554 146 2HD2 LEU 21 2HD2 LEU 21 6.053 1.979 1.471 147 3HD2 LEU 21 3HD2 LEU 21 5.169 3.186 2.405 148 H ILE 22 H ILE 22 4.843 -0.601 6.600 149 HA ILE 22 HA ILE 22 4.064 0.656 9.132 150 HB ILE 22 HB ILE 22 3.945 -1.551 10.080 151 1HG1 ILE 22 2HG1 ILE 22 4.983 -2.618 7.447 152 2HG1 ILE 22 1HG1 ILE 22 5.965 -2.446 8.897 153 1HG2 ILE 22 1HG2 ILE 22 2.747 -1.450 7.320 154 2HG2 ILE 22 2HG2 ILE 22 2.020 -0.862 8.817 155 3HG2 ILE 22 3HG2 ILE 22 2.278 -2.591 8.580 156 1HD1 ILE 22 1HD1 ILE 22 5.230 -4.731 8.606 157 2HD1 ILE 22 2HD1 ILE 22 3.545 -4.209 8.590 158 3HD1 ILE 22 3HD1 ILE 22 4.508 -4.032 10.057 159 H LYS 23 H LYS 23 6.817 0.048 7.407 160 HA LYS 23 HA LYS 23 8.539 0.480 9.719 161 1HB LYS 23 2HB LYS 23 9.199 -1.635 7.661 162 2HB LYS 23 1HB LYS 23 10.068 -1.275 9.142 163 1HG LYS 23 2HG LYS 23 8.338 -2.230 10.473 164 2HG LYS 23 1HG LYS 23 7.280 -2.391 9.065 165 1HD LYS 23 2HD LYS 23 8.257 -4.535 9.571 166 2HD LYS 23 1HD LYS 23 8.921 -3.926 8.054 167 1HE LYS 23 2HE LYS 23 10.662 -4.920 9.447 168 2HE LYS 23 1HE LYS 23 10.934 -3.195 9.210 169 1HZ LYS 23 1HZ LYS 23 10.120 -2.744 11.397 170 2HZ LYS 23 2HZ LYS 23 11.295 -3.962 11.520 171 3HZ LYS 23 3HZ LYS 23 9.647 -4.357 11.623 172 H ASP 24 H ASP 24 10.906 0.627 8.681 173 HA ASP 24 HA ASP 24 10.689 2.313 6.293 174 1HB ASP 24 2HB ASP 24 13.235 1.852 7.821 175 2HB ASP 24 1HB ASP 24 12.795 3.217 6.812 176 H LEU 25 H LEU 25 10.815 1.214 4.458 177 HA LEU 25 HA LEU 25 12.564 -1.150 4.336 178 1HB LEU 25 2HB LEU 25 10.043 -0.468 2.840 179 2HB LEU 25 1HB LEU 25 11.141 -1.708 2.279 180 HG LEU 25 HG LEU 25 9.273 -2.708 3.448 181 1HD1 LEU 25 1HD1 LEU 25 11.802 -2.894 5.065 182 2HD1 LEU 25 2HD1 LEU 25 11.393 -3.852 3.642 183 3HD1 LEU 25 3HD1 LEU 25 10.452 -4.029 5.126 184 1HD2 LEU 25 1HD2 LEU 25 10.108 -1.017 5.788 185 2HD2 LEU 25 2HD2 LEU 25 8.968 -2.357 5.877 186 3HD2 LEU 25 3HD2 LEU 25 8.587 -0.943 4.901 187 H LYS 26 H LYS 26 14.419 -0.712 3.386 188 HA LYS 26 HA LYS 26 14.555 1.447 1.420 189 1HB LYS 26 2HB LYS 26 16.157 1.481 3.273 190 2HB LYS 26 1HB LYS 26 16.737 -0.103 2.808 191 1HG LYS 26 2HG LYS 26 16.870 1.953 0.713 192 2HG LYS 26 1HG LYS 26 17.929 2.194 2.104 193 1HD LYS 26 2HD LYS 26 17.777 -0.359 0.506 194 2HD LYS 26 1HD LYS 26 18.965 0.916 0.230 195 1HE LYS 26 2HE LYS 26 18.597 -0.543 2.843 196 2HE LYS 26 1HE LYS 26 19.805 -0.964 1.629 197 1HZ LYS 26 1HZ LYS 26 19.641 1.495 3.275 198 2HZ LYS 26 2HZ LYS 26 20.577 1.426 1.867 199 3HZ LYS 26 3HZ LYS 26 20.919 0.386 3.156 200 H LEU 27 H LEU 27 15.331 1.170 -0.652 201 HA LEU 27 HA LEU 27 14.808 -1.479 -1.736 202 1HB LEU 27 2HB LEU 27 14.165 1.020 -2.573 203 2HB LEU 27 1HB LEU 27 15.568 0.707 -3.555 204 HG LEU 27 HG LEU 27 13.470 0.161 -4.711 205 1HD1 LEU 27 1HD1 LEU 27 15.492 -1.040 -5.326 206 2HD1 LEU 27 2HD1 LEU 27 14.072 -2.076 -5.472 207 3HD1 LEU 27 3HD1 LEU 27 15.156 -2.255 -4.092 208 1HD2 LEU 27 1HD2 LEU 27 13.133 -1.922 -2.559 209 2HD2 LEU 27 2HD2 LEU 27 12.124 -1.741 -3.994 210 3HD2 LEU 27 3HD2 LEU 27 12.145 -0.476 -2.765 211 H LYS 28 H LYS 28 16.236 -2.706 -2.764 212 HA LYS 28 HA LYS 28 19.045 -2.124 -2.315 213 1HB LYS 28 2HB LYS 28 18.271 -4.355 -1.724 214 2HB LYS 28 1HB LYS 28 17.677 -4.611 -3.361 215 1HG LYS 28 2HG LYS 28 19.969 -4.472 -4.211 216 2HG LYS 28 1HG LYS 28 20.558 -4.235 -2.566 217 1HD LYS 28 2HD LYS 28 19.815 -6.429 -1.926 218 2HD LYS 28 1HD LYS 28 19.020 -6.659 -3.487 219 1HE LYS 28 2HE LYS 28 21.160 -6.585 -4.621 220 2HE LYS 28 1HE LYS 28 21.985 -6.256 -3.098 221 1HZ LYS 28 1HZ LYS 28 20.415 -8.723 -3.619 222 2HZ LYS 28 2HZ LYS 28 21.443 -8.410 -2.302 223 3HZ LYS 28 3HZ LYS 28 22.089 -8.603 -3.859 224 H GLY 29 H GLY 29 20.422 -1.460 -3.836 225 1HA GLY 29 2HA GLY 29 21.319 -1.387 -6.027 226 2HA GLY 29 1HA GLY 29 19.752 -1.870 -6.662 227 H SER 30 H SER 30 19.552 0.510 -4.287 228 HA SER 30 HA SER 30 20.024 2.807 -5.907 229 1HB SER 30 2HB SER 30 17.832 1.945 -6.822 230 2HB SER 30 1HB SER 30 17.130 2.208 -5.226 231 HG SER 30 HG SER 30 18.260 4.171 -6.952 232 H SER 31 H SER 31 19.059 4.802 -4.677 233 HA SER 31 HA SER 31 19.822 4.447 -1.887 234 1HB SER 31 2HB SER 31 19.871 6.966 -1.909 235 2HB SER 31 1HB SER 31 20.979 6.206 -3.051 236 HG SER 31 HG SER 31 18.503 7.488 -3.562 237 H THR 32 H THR 32 17.066 4.016 -3.396 238 HA THR 32 HA THR 32 15.248 5.819 -2.178 239 HB THR 32 HB THR 32 14.561 3.051 -3.160 240 HG1 THR 32 1HG THR 32 15.130 5.421 -4.646 241 1HG2 THR 32 1HG2 THR 32 12.759 4.293 -2.074 242 2HG2 THR 32 2HG2 THR 32 12.450 4.133 -3.803 243 3HG2 THR 32 3HG2 THR 32 13.040 5.662 -3.152 244 H VAL 33 H VAL 33 15.201 5.901 0.003 245 HA VAL 33 HA VAL 33 14.901 3.360 1.476 246 HB VAL 33 HB VAL 33 15.628 6.038 2.679 247 1HG1 VAL 33 1HG1 VAL 33 16.371 4.685 4.577 248 2HG1 VAL 33 2HG1 VAL 33 15.868 3.221 3.733 249 3HG1 VAL 33 3HG1 VAL 33 14.665 4.414 4.222 250 1HG2 VAL 33 1HG2 VAL 33 17.374 5.427 1.106 251 2HG2 VAL 33 2HG2 VAL 33 17.488 3.823 1.832 252 3HG2 VAL 33 3HG2 VAL 33 17.947 5.248 2.764 253 H LEU 34 H LEU 34 12.706 3.047 1.465 254 HA LEU 34 HA LEU 34 10.891 5.234 1.861 255 1HB LEU 34 2HB LEU 34 10.470 2.253 1.790 256 2HB LEU 34 1HB LEU 34 9.174 3.395 2.086 257 HG LEU 34 HG LEU 34 10.080 4.436 -0.189 258 1HD1 LEU 34 1HD1 LEU 34 10.749 1.507 -0.436 259 2HD1 LEU 34 2HD1 LEU 34 11.901 2.842 -0.463 260 3HD1 LEU 34 3HD1 LEU 34 10.713 2.675 -1.757 261 1HD2 LEU 34 1HD2 LEU 34 7.809 3.701 0.308 262 2HD2 LEU 34 2HD2 LEU 34 8.278 2.031 -0.018 263 3HD2 LEU 34 3HD2 LEU 34 8.309 3.226 -1.316 264 H LYS 35 H LYS 35 9.742 5.728 3.675 265 HA LYS 35 HA LYS 35 10.925 4.650 6.147 266 1HB LYS 35 2HB LYS 35 9.972 7.397 5.402 267 2HB LYS 35 1HB LYS 35 10.068 6.913 7.086 268 1HG LYS 35 2HG LYS 35 12.407 6.712 5.213 269 2HG LYS 35 1HG LYS 35 12.057 8.164 6.155 270 1HD LYS 35 2HD LYS 35 12.557 5.399 7.260 271 2HD LYS 35 1HD LYS 35 13.702 6.741 7.276 272 1HE LYS 35 2HE LYS 35 12.309 8.001 8.757 273 2HE LYS 35 1HE LYS 35 10.994 6.835 8.598 274 1HZ LYS 35 1HZ LYS 35 13.644 6.246 9.805 275 2HZ LYS 35 2HZ LYS 35 12.318 5.190 9.709 276 3HZ LYS 35 3HZ LYS 35 12.227 6.575 10.680 277 H ARG 36 H ARG 36 9.593 4.607 8.017 278 HA ARG 36 HA ARG 36 7.135 3.342 7.664 279 1HB ARG 36 2HB ARG 36 8.636 3.252 9.676 280 2HB ARG 36 1HB ARG 36 8.040 4.844 10.119 281 1HG ARG 36 2HG ARG 36 5.843 4.029 10.462 282 2HG ARG 36 1HG ARG 36 6.243 2.467 9.739 283 1HD ARG 36 2HD ARG 36 7.868 2.087 11.536 284 2HD ARG 36 1HD ARG 36 7.370 3.603 12.291 285 HE ARG 36 HE ARG 36 5.805 1.130 12.118 286 1HH1 ARG 36 1HH1 ARG 36 6.044 4.454 13.194 287 2HH1 ARG 36 2HH1 ARG 36 4.802 4.287 14.401 288 1HH2 ARG 36 1HH2 ARG 36 4.187 0.894 13.699 289 2HH2 ARG 36 2HH2 ARG 36 3.763 2.249 14.714 290 H GLY 37 H GLY 37 5.085 4.057 7.476 291 1HA GLY 37 2HA GLY 37 3.315 5.600 7.788 292 2HA GLY 37 1HA GLY 37 4.499 6.866 8.065 293 H THR 38 H THR 38 5.670 5.363 5.425 294 HA THR 38 HA THR 38 4.858 7.380 3.618 295 HB THR 38 HB THR 38 6.053 4.664 2.987 296 HG1 THR 38 1HG THR 38 7.545 5.747 4.183 297 1HG2 THR 38 1HG2 THR 38 5.927 7.184 1.314 298 2HG2 THR 38 2HG2 THR 38 5.006 5.707 1.025 299 3HG2 THR 38 3HG2 THR 38 6.764 5.694 0.879 300 H MET 39 H MET 39 2.879 7.607 2.813 301 HA MET 39 HA MET 39 1.073 5.373 2.732 302 1HB MET 39 2HB MET 39 0.094 7.407 3.469 303 2HB MET 39 1HB MET 39 0.727 8.293 2.086 304 1HG MET 39 2HG MET 39 -0.779 7.228 0.598 305 2HG MET 39 1HG MET 39 -1.259 6.053 1.819 306 1HE MET 39 1HE MET 39 -2.906 6.477 3.728 307 2HE MET 39 2HE MET 39 -3.434 8.078 4.248 308 3HE MET 39 3HE MET 39 -1.737 7.619 4.394 309 H ILE 40 H ILE 40 0.846 4.086 1.140 310 HA ILE 40 HA ILE 40 1.343 5.046 -1.605 311 HB ILE 40 HB ILE 40 1.329 2.181 -0.631 312 1HG1 ILE 40 2HG1 ILE 40 3.662 3.946 -1.419 313 2HG1 ILE 40 1HG1 ILE 40 3.275 3.433 0.220 314 1HG2 ILE 40 1HG2 ILE 40 1.997 3.385 -3.316 315 2HG2 ILE 40 2HG2 ILE 40 0.630 2.336 -2.933 316 3HG2 ILE 40 3HG2 ILE 40 2.274 1.700 -2.875 317 1HD1 ILE 40 1HD1 ILE 40 4.062 1.632 -2.056 318 2HD1 ILE 40 2HD1 ILE 40 3.670 1.112 -0.417 319 3HD1 ILE 40 3HD1 ILE 40 5.088 2.119 -0.707 320 H ARG 41 H ARG 41 -0.675 5.874 -2.026 321 HA ARG 41 HA ARG 41 -2.952 4.076 -1.632 322 1HB ARG 41 2HB ARG 41 -4.326 6.181 -2.117 323 2HB ARG 41 1HB ARG 41 -3.488 6.086 -0.581 324 1HG ARG 41 2HG ARG 41 -3.227 8.291 -1.360 325 2HG ARG 41 1HG ARG 41 -1.674 7.495 -1.599 326 1HD ARG 41 2HD ARG 41 -2.069 7.254 -3.940 327 2HD ARG 41 1HD ARG 41 -3.746 7.767 -3.768 328 HE ARG 41 HE ARG 41 -3.007 9.991 -3.424 329 1HH1 ARG 41 1HH1 ARG 41 -0.431 7.776 -4.291 330 2HH1 ARG 41 2HH1 ARG 41 0.654 9.033 -4.786 331 1HH2 ARG 41 1HH2 ARG 41 -1.594 11.638 -4.082 332 2HH2 ARG 41 2HH2 ARG 41 -0.001 11.248 -4.660 333 H GLY 42 H GLY 42 -4.465 3.723 -3.299 334 1HA GLY 42 2HA GLY 42 -5.138 3.604 -5.542 335 2HA GLY 42 1HA GLY 42 -3.672 4.462 -6.005 336 H ILE 43 H ILE 43 -4.053 1.564 -4.009 337 HA ILE 43 HA ILE 43 -2.087 0.231 -5.698 338 HB ILE 43 HB ILE 43 -1.910 -1.456 -3.982 339 1HG1 ILE 43 2HG1 ILE 43 -3.301 -0.739 -1.773 340 2HG1 ILE 43 1HG1 ILE 43 -4.448 -0.271 -3.020 341 1HG2 ILE 43 1HG2 ILE 43 -1.081 -0.111 -2.146 342 2HG2 ILE 43 2HG2 ILE 43 -1.999 1.278 -2.730 343 3HG2 ILE 43 3HG2 ILE 43 -0.668 0.633 -3.693 344 1HD1 ILE 43 1HD1 ILE 43 -4.392 -2.546 -3.912 345 2HD1 ILE 43 2HD1 ILE 43 -4.898 -2.510 -2.223 346 3HD1 ILE 43 3HD1 ILE 43 -3.259 -3.010 -2.643 347 H ARG 44 H ARG 44 -2.470 -2.114 -6.136 348 HA ARG 44 HA ARG 44 -5.254 -2.856 -6.513 349 1HB ARG 44 2HB ARG 44 -4.745 -3.448 -8.932 350 2HB ARG 44 1HB ARG 44 -4.900 -1.734 -8.576 351 1HG ARG 44 2HG ARG 44 -2.977 -1.489 -9.660 352 2HG ARG 44 1HG ARG 44 -2.213 -2.189 -8.233 353 1HD ARG 44 2HD ARG 44 -1.427 -3.365 -10.164 354 2HD ARG 44 1HD ARG 44 -2.497 -4.435 -9.260 355 HE ARG 44 HE ARG 44 -4.200 -4.042 -10.924 356 1HH1 ARG 44 1HH1 ARG 44 -0.994 -2.857 -11.727 357 2HH1 ARG 44 2HH1 ARG 44 -1.275 -2.907 -13.445 358 1HH2 ARG 44 1HH2 ARG 44 -4.566 -4.089 -13.181 359 2HH2 ARG 44 2HH2 ARG 44 -3.306 -3.591 -14.270 360 H LEU 45 H LEU 45 -5.464 -5.137 -7.116 361 HA LEU 45 HA LEU 45 -3.486 -6.665 -5.656 362 1HB LEU 45 2HB LEU 45 -6.033 -7.627 -6.960 363 2HB LEU 45 1HB LEU 45 -5.064 -8.500 -5.790 364 HG LEU 45 HG LEU 45 -6.725 -6.041 -5.296 365 1HD1 LEU 45 1HD1 LEU 45 -7.925 -7.508 -3.749 366 2HD1 LEU 45 2HD1 LEU 45 -6.901 -8.854 -4.247 367 3HD1 LEU 45 3HD1 LEU 45 -7.991 -8.099 -5.410 368 1HD2 LEU 45 1HD2 LEU 45 -6.014 -6.175 -2.974 369 2HD2 LEU 45 2HD2 LEU 45 -4.644 -5.870 -4.042 370 3HD2 LEU 45 3HD2 LEU 45 -4.905 -7.486 -3.383 371 H THR 46 H THR 46 -2.608 -8.665 -6.492 372 HA THR 46 HA THR 46 -2.308 -8.641 -9.423 373 HB THR 46 HB THR 46 -0.079 -9.671 -9.095 374 HG1 THR 46 1HG THR 46 -0.492 -9.098 -6.322 375 1HG2 THR 46 1HG2 THR 46 -0.431 -7.047 -7.640 376 2HG2 THR 46 2HG2 THR 46 -0.214 -7.251 -9.377 377 3HG2 THR 46 3HG2 THR 46 1.092 -7.672 -8.270 378 H ASP 47 H ASP 47 -1.050 -11.141 -9.661 379 HA ASP 47 HA ASP 47 -3.220 -12.965 -9.197 380 1HB ASP 47 2HB ASP 47 -1.660 -13.151 -11.143 381 2HB ASP 47 1HB ASP 47 -0.371 -13.584 -10.025 382 H SER 48 H SER 48 -0.631 -11.801 -7.416 383 HA SER 48 HA SER 48 -0.276 -14.108 -5.716 384 1HB SER 48 2HB SER 48 0.849 -11.309 -5.533 385 2HB SER 48 1HB SER 48 1.427 -12.720 -4.658 386 HG SER 48 HG SER 48 2.606 -13.176 -6.325 387 H GLU 49 H GLU 49 -0.922 -14.242 -3.573 388 HA GLU 49 HA GLU 49 -3.054 -12.420 -2.758 389 1HB GLU 49 2HB GLU 49 -2.015 -14.813 -1.242 390 2HB GLU 49 1HB GLU 49 -3.568 -14.014 -1.058 391 1HG GLU 49 2HG GLU 49 -4.184 -14.773 -3.319 392 2HG GLU 49 1HG GLU 49 -2.654 -15.652 -3.399 393 H ASP 50 H ASP 50 0.245 -12.816 -2.382 394 HA ASP 50 HA ASP 50 0.282 -11.456 0.223 395 1HB ASP 50 2HB ASP 50 2.336 -13.206 -1.133 396 2HB ASP 50 1HB ASP 50 2.642 -12.318 0.357 397 H GLU 51 H GLU 51 0.608 -10.885 -3.005 398 HA GLU 51 HA GLU 51 2.410 -8.609 -2.533 399 1HB GLU 51 2HB GLU 51 2.262 -10.451 -4.894 400 2HB GLU 51 1HB GLU 51 2.881 -8.829 -5.059 401 1HG GLU 51 2HG GLU 51 4.742 -10.247 -4.818 402 2HG GLU 51 1HG GLU 51 4.565 -9.380 -3.296 403 H ILE 52 H ILE 52 1.879 -6.700 -3.434 404 HA ILE 52 HA ILE 52 -0.485 -6.548 -5.167 405 HB ILE 52 HB ILE 52 -1.157 -4.422 -4.063 406 1HG1 ILE 52 2HG1 ILE 52 0.470 -5.243 -1.680 407 2HG1 ILE 52 1HG1 ILE 52 1.181 -4.234 -2.936 408 1HG2 ILE 52 1HG2 ILE 52 -1.223 -6.831 -2.262 409 2HG2 ILE 52 2HG2 ILE 52 -2.338 -6.495 -3.587 410 3HG2 ILE 52 3HG2 ILE 52 -2.301 -5.437 -2.176 411 1HD1 ILE 52 1HD1 ILE 52 0.324 -2.902 -1.097 412 2HD1 ILE 52 2HD1 ILE 52 -1.286 -3.582 -1.344 413 3HD1 ILE 52 3HD1 ILE 52 -0.552 -2.569 -2.591 414 H GLU 53 H GLU 53 -0.584 -4.222 -6.082 415 HA GLU 53 HA GLU 53 2.119 -3.131 -6.452 416 1HB GLU 53 2HB GLU 53 1.363 -4.446 -8.410 417 2HB GLU 53 1HB GLU 53 -0.042 -3.412 -8.530 418 1HG GLU 53 2HG GLU 53 1.550 -1.475 -8.811 419 2HG GLU 53 1HG GLU 53 2.827 -2.676 -8.998 420 H GLY 54 H GLY 54 2.212 -0.887 -6.331 421 1HA GLY 54 2HA GLY 54 -0.357 0.537 -6.229 422 2HA GLY 54 1HA GLY 54 0.719 0.655 -4.849 423 H ARG 55 H ARG 55 0.479 2.980 -5.414 424 HA ARG 55 HA ARG 55 2.693 3.772 -7.140 425 1HB ARG 55 2HB ARG 55 1.369 5.464 -8.294 426 2HB ARG 55 1HB ARG 55 0.711 3.859 -8.583 427 1HG ARG 55 2HG ARG 55 -0.976 4.305 -6.812 428 2HG ARG 55 1HG ARG 55 -0.371 5.960 -6.732 429 1HD ARG 55 2HD ARG 55 -2.322 5.878 -8.151 430 2HD ARG 55 1HD ARG 55 -0.893 6.239 -9.120 431 HE ARG 55 HE ARG 55 -0.962 3.679 -9.541 432 1HH1 ARG 55 1HH1 ARG 55 -3.750 5.775 -9.222 433 2HH1 ARG 55 2HH1 ARG 55 -4.766 4.805 -10.245 434 1HH2 ARG 55 1HH2 ARG 55 -2.286 2.409 -10.896 435 2HH2 ARG 55 2HH2 ARG 55 -3.919 2.900 -11.225 436 H THR 56 H THR 56 3.685 5.613 -6.502 437 HA THR 56 HA THR 56 2.742 6.804 -3.975 438 HB THR 56 HB THR 56 5.051 7.215 -3.367 439 HG1 THR 56 1HG THR 56 5.772 5.967 -5.826 440 1HG2 THR 56 1HG2 THR 56 4.689 4.394 -4.375 441 2HG2 THR 56 2HG2 THR 56 4.289 5.001 -2.767 442 3HG2 THR 56 3HG2 THR 56 5.975 4.913 -3.287 443 H ASP 57 H ASP 57 4.235 8.995 -3.781 444 HA ASP 57 HA ASP 57 3.321 10.906 -5.581 445 1HB ASP 57 2HB ASP 57 4.220 11.530 -3.422 446 2HB ASP 57 1HB ASP 57 5.803 10.887 -3.844 447 H LYS 58 H LYS 58 6.082 8.782 -5.766 448 HA LYS 58 HA LYS 58 6.870 10.035 -8.310 449 1HB LYS 58 2HB LYS 58 8.614 8.959 -6.102 450 2HB LYS 58 1HB LYS 58 9.216 9.287 -7.721 451 1HG LYS 58 2HG LYS 58 8.680 11.616 -7.512 452 2HG LYS 58 1HG LYS 58 7.872 11.332 -5.970 453 1HD LYS 58 2HD LYS 58 10.030 10.612 -5.013 454 2HD LYS 58 1HD LYS 58 10.813 10.996 -6.549 455 1HE LYS 58 2HE LYS 58 11.078 12.817 -4.936 456 2HE LYS 58 1HE LYS 58 10.126 13.326 -6.330 457 1HZ LYS 58 1HZ LYS 58 9.061 12.556 -3.661 458 2HZ LYS 58 2HZ LYS 58 8.104 12.956 -5.004 459 3HZ LYS 58 3HZ LYS 58 9.117 14.124 -4.307 460 H ILE 59 H ILE 59 7.622 7.067 -6.509 461 HA ILE 59 HA ILE 59 7.876 5.473 -8.842 462 HB ILE 59 HB ILE 59 7.233 4.304 -6.143 463 1HG1 ILE 59 2HG1 ILE 59 9.922 4.236 -6.119 464 2HG1 ILE 59 1HG1 ILE 59 9.689 5.768 -6.952 465 1HG2 ILE 59 1HG2 ILE 59 8.935 3.375 -8.448 466 2HG2 ILE 59 2HG2 ILE 59 7.329 2.783 -8.018 467 3HG2 ILE 59 3HG2 ILE 59 8.692 2.502 -6.934 468 1HD1 ILE 59 1HD1 ILE 59 9.984 6.060 -4.551 469 2HD1 ILE 59 2HD1 ILE 59 8.569 5.051 -4.252 470 3HD1 ILE 59 3HD1 ILE 59 8.389 6.600 -5.070 471 H LYS 60 H LYS 60 6.141 5.191 -10.132 472 HA LYS 60 HA LYS 60 3.608 4.444 -8.848 473 1HB LYS 60 2HB LYS 60 2.630 4.917 -11.165 474 2HB LYS 60 1HB LYS 60 3.169 6.300 -10.223 475 1HG LYS 60 2HG LYS 60 4.002 6.783 -12.308 476 2HG LYS 60 1HG LYS 60 5.373 6.008 -11.518 477 1HD LYS 60 2HD LYS 60 5.204 5.125 -13.733 478 2HD LYS 60 1HD LYS 60 4.710 3.867 -12.600 479 1HE LYS 60 2HE LYS 60 3.205 3.880 -14.479 480 2HE LYS 60 1HE LYS 60 2.348 4.445 -13.047 481 1HZ LYS 60 1HZ LYS 60 2.415 6.654 -13.809 482 2HZ LYS 60 2HZ LYS 60 1.978 5.736 -15.167 483 3HZ LYS 60 3HZ LYS 60 3.565 6.306 -15.002 484 H GLY 61 H GLY 61 2.552 2.606 -9.423 485 1HA GLY 61 2HA GLY 61 2.280 0.461 -10.175 486 2HA GLY 61 1HA GLY 61 3.259 0.914 -11.561 487 H LEU 62 H LEU 62 4.039 0.670 -8.080 488 HA LEU 62 HA LEU 62 6.185 -1.175 -8.855 489 1HB LEU 62 2HB LEU 62 7.443 -0.525 -6.994 490 2HB LEU 62 1HB LEU 62 6.773 0.972 -7.602 491 HG LEU 62 HG LEU 62 5.587 -0.533 -5.278 492 1HD1 LEU 62 1HD1 LEU 62 7.871 0.089 -4.736 493 2HD1 LEU 62 2HD1 LEU 62 6.734 1.106 -3.852 494 3HD1 LEU 62 3HD1 LEU 62 7.567 1.742 -5.271 495 1HD2 LEU 62 1HD2 LEU 62 5.256 2.295 -6.285 496 2HD2 LEU 62 2HD2 LEU 62 4.589 1.676 -4.775 497 3HD2 LEU 62 3HD2 LEU 62 4.042 1.014 -6.313 498 H VAL 63 H VAL 63 6.253 -3.189 -8.055 499 HA VAL 63 HA VAL 63 3.824 -4.108 -6.713 500 HB VAL 63 HB VAL 63 6.002 -5.765 -8.011 501 1HG1 VAL 63 1HG1 VAL 63 4.699 -6.981 -6.338 502 2HG1 VAL 63 2HG1 VAL 63 4.345 -7.564 -7.965 503 3HG1 VAL 63 3HG1 VAL 63 3.206 -6.496 -7.143 504 1HG2 VAL 63 1HG2 VAL 63 4.913 -4.332 -9.659 505 2HG2 VAL 63 2HG2 VAL 63 3.332 -4.901 -9.121 506 3HG2 VAL 63 3HG2 VAL 63 4.458 -6.019 -9.892 507 H LEU 64 H LEU 64 3.831 -4.552 -4.642 508 HA LEU 64 HA LEU 64 6.370 -5.259 -3.343 509 1HB LEU 64 2HB LEU 64 4.483 -3.053 -2.610 510 2HB LEU 64 1HB LEU 64 5.430 -3.849 -1.368 511 HG LEU 64 HG LEU 64 6.678 -2.600 -3.804 512 1HD1 LEU 64 1HD1 LEU 64 5.523 -0.844 -2.627 513 2HD1 LEU 64 2HD1 LEU 64 7.256 -0.712 -2.324 514 3HD1 LEU 64 3HD1 LEU 64 6.193 -1.387 -1.086 515 1HD2 LEU 64 1HD2 LEU 64 7.722 -3.592 -1.156 516 2HD2 LEU 64 2HD2 LEU 64 8.674 -2.628 -2.291 517 3HD2 LEU 64 3HD2 LEU 64 8.082 -4.221 -2.766 518 H ARG 65 H ARG 65 6.265 -6.700 -1.721 519 HA ARG 65 HA ARG 65 3.958 -8.272 -1.312 520 1HB ARG 65 2HB ARG 65 5.249 -9.006 0.793 521 2HB ARG 65 1HB ARG 65 5.958 -9.356 -0.773 522 1HG ARG 65 2HG ARG 65 7.585 -7.730 -0.535 523 2HG ARG 65 1HG ARG 65 6.695 -6.869 0.719 524 1HD ARG 65 2HD ARG 65 8.590 -8.042 1.678 525 2HD ARG 65 1HD ARG 65 7.084 -8.754 2.253 526 HE ARG 65 HE ARG 65 7.486 -10.519 0.507 527 1HH1 ARG 65 1HH1 ARG 65 10.133 -8.673 1.885 528 2HH1 ARG 65 2HH1 ARG 65 11.296 -9.944 1.665 529 1HH2 ARG 65 1HH2 ARG 65 9.028 -12.191 0.217 530 2HH2 ARG 65 2HH2 ARG 65 10.676 -11.934 0.714 531 H THR 66 H THR 66 2.342 -8.131 0.119 532 HA THR 66 HA THR 66 1.995 -5.557 1.405 533 HB THR 66 HB THR 66 0.182 -6.523 0.056 534 HG1 THR 66 1HG THR 66 -1.064 -6.686 2.494 535 1HG2 THR 66 1HG2 THR 66 -1.087 -8.459 0.882 536 2HG2 THR 66 2HG2 THR 66 0.098 -8.678 2.168 537 3HG2 THR 66 3HG2 THR 66 0.578 -8.883 0.483 538 H GLU 67 H GLU 67 3.948 -7.489 2.500 539 HA GLU 67 HA GLU 67 2.700 -8.532 4.916 540 1HB GLU 67 2HB GLU 67 5.615 -8.634 4.145 541 2HB GLU 67 1HB GLU 67 4.777 -9.651 5.311 542 1HG GLU 67 2HG GLU 67 3.344 -10.344 3.278 543 2HG GLU 67 1HG GLU 67 4.690 -9.718 2.336 544 H PHE 68 H PHE 68 4.455 -5.850 3.839 545 HA PHE 68 HA PHE 68 4.884 -4.974 6.617 546 1HB PHE 68 2HB PHE 68 6.848 -3.724 5.875 547 2HB PHE 68 1HB PHE 68 7.005 -5.434 5.469 548 HD1 PHE 68 1HD PHE 68 6.527 -2.065 4.146 549 HD2 PHE 68 2HD PHE 68 7.057 -6.170 3.187 550 HE1 PHE 68 1HE PHE 68 7.006 -1.451 1.810 551 HE2 PHE 68 2HE PHE 68 7.538 -5.566 0.851 552 HZ PHE 68 HZ PHE 68 7.512 -3.206 0.161 553 H LEU 69 H LEU 69 2.613 -4.630 4.684 554 HA LEU 69 HA LEU 69 2.624 -1.690 4.631 555 1HB LEU 69 2HB LEU 69 1.143 -3.555 2.781 556 2HB LEU 69 1HB LEU 69 1.045 -1.809 2.756 557 HG LEU 69 HG LEU 69 3.567 -3.379 2.211 558 1HD1 LEU 69 1HD1 LEU 69 3.220 -2.741 -0.129 559 2HD1 LEU 69 2HD1 LEU 69 1.657 -2.043 0.298 560 3HD1 LEU 69 3HD1 LEU 69 1.924 -3.778 0.469 561 1HD2 LEU 69 1HD2 LEU 69 2.907 -0.450 1.916 562 2HD2 LEU 69 2HD2 LEU 69 4.386 -1.222 1.344 563 3HD2 LEU 69 3HD2 LEU 69 4.031 -1.168 3.072 564 H LYS 70 H LYS 70 0.750 -0.645 5.201 565 HA LYS 70 HA LYS 70 -1.175 -2.274 6.725 566 1HB LYS 70 2HB LYS 70 0.578 -0.410 7.731 567 2HB LYS 70 1HB LYS 70 -0.873 0.552 7.489 568 1HG LYS 70 2HG LYS 70 -0.543 -1.907 9.184 569 2HG LYS 70 1HG LYS 70 -0.912 -0.265 9.720 570 1HD LYS 70 2HD LYS 70 -3.059 -0.394 8.516 571 2HD LYS 70 1HD LYS 70 -2.684 -2.050 8.058 572 1HE LYS 70 2HE LYS 70 -2.584 -2.655 10.449 573 2HE LYS 70 1HE LYS 70 -3.064 -1.007 10.859 574 1HZ LYS 70 1HZ LYS 70 -4.668 -2.853 9.179 575 2HZ LYS 70 2HZ LYS 70 -5.141 -1.322 9.733 576 3HZ LYS 70 3HZ LYS 70 -4.928 -2.590 10.834 577 H LYS 71 H LYS 71 -3.285 -2.017 6.164 578 HA LYS 71 HA LYS 71 -4.030 -0.368 3.986 579 1HB LYS 71 2HB LYS 71 -5.220 -2.461 4.728 580 2HB LYS 71 1HB LYS 71 -5.853 -1.553 6.090 581 1HG LYS 71 2HG LYS 71 -6.320 -0.586 3.303 582 2HG LYS 71 1HG LYS 71 -7.301 -1.885 3.972 583 1HD LYS 71 2HD LYS 71 -7.845 -0.398 5.895 584 2HD LYS 71 1HD LYS 71 -6.986 0.903 5.068 585 1HE LYS 71 2HE LYS 71 -9.371 -0.590 3.985 586 2HE LYS 71 1HE LYS 71 -9.419 1.011 4.721 587 1HZ LYS 71 1HZ LYS 71 -8.062 0.238 2.188 588 2HZ LYS 71 2HZ LYS 71 -7.879 1.746 2.932 589 3HZ LYS 71 3HZ LYS 71 -9.401 1.267 2.372 590 H ALA 72 H ALA 72 -4.486 1.723 3.938 591 HA ALA 72 HA ALA 72 -3.993 3.255 6.310 592 1HB ALA 72 1HB ALA 72 -3.163 3.949 4.106 593 2HB ALA 72 2HB ALA 72 -4.144 5.198 4.875 594 3HB ALA 72 3HB ALA 72 -4.825 4.215 3.578 595 H GLY 73 H GLY 73 -6.734 3.274 4.034 596 1HA GLY 73 2HA GLY 73 -8.869 2.790 5.510 597 2HA GLY 73 1HA GLY 73 -8.428 4.369 6.147 598 H SER 74 H SER 74 -10.631 3.116 4.318 599 HA SER 74 HA SER 74 -10.700 5.443 2.541 600 1HB SER 74 2HB SER 74 -11.884 3.706 0.911 601 2HB SER 74 1HB SER 74 -10.133 3.914 0.914 602 HG SER 74 HG SER 74 -11.545 1.707 1.422 Start of MODEL 8 1 1H MET 1 1HT MET 1 -9.231 -18.777 -8.382 2 2H MET 1 2HT MET 1 -9.636 -17.826 -9.726 3 3H MET 1 3HT MET 1 -10.611 -17.794 -8.336 4 HA MET 1 HA MET 1 -7.811 -16.866 -8.519 5 1HB MET 1 2HB MET 1 -10.439 -15.414 -8.516 6 2HB MET 1 1HB MET 1 -8.983 -14.630 -7.921 7 1HG MET 1 2HG MET 1 -9.381 -15.765 -10.680 8 2HG MET 1 1HG MET 1 -9.415 -14.058 -10.240 9 1HE MET 1 1HE MET 1 -7.572 -13.412 -12.036 10 2HE MET 1 2HE MET 1 -7.621 -15.091 -12.574 11 3HE MET 1 3HE MET 1 -6.071 -14.317 -12.243 12 H SER 2 H SER 2 -10.416 -15.709 -6.459 13 HA SER 2 HA SER 2 -10.555 -15.443 -4.209 14 1HB SER 2 2HB SER 2 -9.196 -18.153 -4.213 15 2HB SER 2 1HB SER 2 -9.978 -17.415 -2.813 16 HG SER 2 HG SER 2 -11.931 -17.669 -3.740 17 H ILE 3 H ILE 3 -8.520 -14.048 -5.324 18 HA ILE 3 HA ILE 3 -6.085 -14.585 -3.823 19 HB ILE 3 HB ILE 3 -5.114 -12.713 -5.182 20 1HG1 ILE 3 2HG1 ILE 3 -7.708 -12.938 -6.727 21 2HG1 ILE 3 1HG1 ILE 3 -7.267 -11.577 -5.702 22 1HG2 ILE 3 1HG2 ILE 3 -4.827 -15.068 -5.782 23 2HG2 ILE 3 2HG2 ILE 3 -4.901 -14.037 -7.212 24 3HG2 ILE 3 3HG2 ILE 3 -6.303 -14.998 -6.747 25 1HD1 ILE 3 1HD1 ILE 3 -5.362 -11.108 -7.162 26 2HD1 ILE 3 2HD1 ILE 3 -6.891 -11.071 -8.042 27 3HD1 ILE 3 3HD1 ILE 3 -5.822 -12.467 -8.187 28 H GLU 4 H GLU 4 -7.914 -14.000 -2.119 29 HA GLU 4 HA GLU 4 -8.298 -11.290 -1.476 30 1HB GLU 4 2HB GLU 4 -8.358 -13.771 0.230 31 2HB GLU 4 1HB GLU 4 -8.766 -12.175 0.840 32 1HG GLU 4 2HG GLU 4 -10.586 -11.980 -0.681 33 2HG GLU 4 1HG GLU 4 -10.113 -13.464 -1.499 34 H VAL 5 H VAL 5 -6.513 -10.120 -1.552 35 HA VAL 5 HA VAL 5 -4.154 -10.828 -0.007 36 HB VAL 5 HB VAL 5 -4.623 -8.227 -1.463 37 1HG1 VAL 5 1HG1 VAL 5 -2.226 -8.141 -1.617 38 2HG1 VAL 5 2HG1 VAL 5 -2.086 -9.736 -0.877 39 3HG1 VAL 5 3HG1 VAL 5 -2.699 -8.375 0.067 40 1HG2 VAL 5 1HG2 VAL 5 -3.578 -10.805 -2.627 41 2HG2 VAL 5 2HG2 VAL 5 -3.519 -9.231 -3.423 42 3HG2 VAL 5 3HG2 VAL 5 -5.076 -9.981 -3.067 43 H ARG 6 H ARG 6 -3.682 -10.016 1.978 44 HA ARG 6 HA ARG 6 -5.417 -7.882 3.019 45 1HB ARG 6 2HB ARG 6 -4.312 -10.167 4.647 46 2HB ARG 6 1HB ARG 6 -5.419 -8.924 5.185 47 1HG ARG 6 2HG ARG 6 -7.149 -9.788 3.898 48 2HG ARG 6 1HG ARG 6 -6.089 -10.848 2.991 49 1HD ARG 6 2HD ARG 6 -5.632 -12.105 5.035 50 2HD ARG 6 1HD ARG 6 -6.711 -11.033 5.926 51 HE ARG 6 HE ARG 6 -8.541 -12.076 4.973 52 1HH1 ARG 6 1HH1 ARG 6 -5.568 -13.275 3.533 53 2HH1 ARG 6 2HH1 ARG 6 -6.359 -14.583 2.703 54 1HH2 ARG 6 1HH2 ARG 6 -9.563 -13.804 3.887 55 2HH2 ARG 6 2HH2 ARG 6 -8.617 -14.894 2.910 56 H ASP 7 H ASP 7 -4.381 -6.775 4.971 57 HA ASP 7 HA ASP 7 -1.656 -6.065 4.201 58 1HB ASP 7 2HB ASP 7 -1.953 -4.126 5.639 59 2HB ASP 7 1HB ASP 7 -3.345 -4.281 4.577 60 H CYS 8 H CYS 8 -0.760 -5.113 6.710 61 HA CYS 8 HA CYS 8 0.236 -7.576 7.818 62 1HB CYS 8 2HB CYS 8 1.458 -6.061 9.383 63 2HB CYS 8 1HB CYS 8 1.726 -5.686 7.684 64 HG CYS 8 HG CYS 8 0.314 -3.400 7.601 65 H ASN 9 H ASN 9 -2.631 -6.185 8.147 66 HA ASN 9 HA ASN 9 -2.939 -6.750 11.018 67 1HB ASN 9 2HB ASN 9 -3.672 -4.513 10.057 68 2HB ASN 9 1HB ASN 9 -4.897 -5.387 9.163 69 1HD2 ASN 9 1HD2 ASN 9 -3.847 -6.171 12.418 70 2HD2 ASN 9 2HD2 ASN 9 -5.354 -5.783 13.182 71 H GLY 10 H GLY 10 -4.349 -7.250 7.843 72 1HA GLY 10 2HA GLY 10 -5.112 -9.598 7.392 73 2HA GLY 10 1HA GLY 10 -5.957 -9.471 8.928 74 H ALA 11 H ALA 11 -5.909 -6.510 7.422 75 HA ALA 11 HA ALA 11 -8.705 -6.670 6.698 76 1HB ALA 11 1HB ALA 11 -6.748 -4.382 6.443 77 2HB ALA 11 2HB ALA 11 -7.821 -4.669 7.813 78 3HB ALA 11 3HB ALA 11 -8.496 -4.278 6.230 79 H LEU 12 H LEU 12 -9.527 -6.646 4.648 80 HA LEU 12 HA LEU 12 -7.735 -7.732 2.676 81 1HB LEU 12 2HB LEU 12 -10.705 -7.362 2.842 82 2HB LEU 12 1HB LEU 12 -9.934 -7.868 1.347 83 HG LEU 12 HG LEU 12 -9.466 -9.348 3.923 84 1HD1 LEU 12 1HD1 LEU 12 -11.636 -9.868 1.893 85 2HD1 LEU 12 2HD1 LEU 12 -11.882 -9.316 3.550 86 3HD1 LEU 12 3HD1 LEU 12 -11.207 -10.917 3.242 87 1HD2 LEU 12 1HD2 LEU 12 -7.932 -9.727 2.059 88 2HD2 LEU 12 2HD2 LEU 12 -9.299 -10.148 1.025 89 3HD2 LEU 12 3HD2 LEU 12 -8.901 -11.158 2.415 90 H LEU 13 H LEU 13 -7.048 -6.865 0.860 91 HA LEU 13 HA LEU 13 -7.573 -4.017 0.394 92 1HB LEU 13 2HB LEU 13 -5.367 -5.843 -0.575 93 2HB LEU 13 1HB LEU 13 -5.525 -4.158 -1.029 94 HG LEU 13 HG LEU 13 -5.159 -5.094 1.811 95 1HD1 LEU 13 1HD1 LEU 13 -2.837 -4.342 1.566 96 2HD1 LEU 13 2HD1 LEU 13 -3.117 -4.061 -0.154 97 3HD1 LEU 13 3HD1 LEU 13 -3.205 -5.697 0.500 98 1HD2 LEU 13 1HD2 LEU 13 -4.943 -2.382 0.512 99 2HD2 LEU 13 2HD2 LEU 13 -4.580 -2.745 2.199 100 3HD2 LEU 13 3HD2 LEU 13 -6.227 -2.924 1.596 101 H ALA 14 H ALA 14 -7.549 -3.358 -1.931 102 HA ALA 14 HA ALA 14 -8.263 -5.290 -3.924 103 1HB ALA 14 1HB ALA 14 -10.382 -3.381 -2.941 104 2HB ALA 14 2HB ALA 14 -10.397 -5.137 -2.781 105 3HB ALA 14 3HB ALA 14 -10.507 -4.397 -4.377 106 H ASP 15 H ASP 15 -9.009 -4.055 -5.975 107 HA ASP 15 HA ASP 15 -7.028 -2.178 -6.673 108 1HB ASP 15 2HB ASP 15 -8.089 -3.591 -8.350 109 2HB ASP 15 1HB ASP 15 -9.649 -2.838 -8.036 110 H GLY 16 H GLY 16 -6.884 -0.131 -6.097 111 1HA GLY 16 2HA GLY 16 -7.756 2.109 -6.253 112 2HA GLY 16 1HA GLY 16 -9.352 1.467 -5.891 113 H ASP 17 H ASP 17 -7.274 -0.140 -3.930 114 HA ASP 17 HA ASP 17 -8.159 1.398 -1.647 115 1HB ASP 17 2HB ASP 17 -7.817 -1.264 -1.989 116 2HB ASP 17 1HB ASP 17 -6.287 -0.852 -1.222 117 H ASN 18 H ASN 18 -6.415 1.487 0.204 118 HA ASN 18 HA ASN 18 -3.922 2.582 -0.884 119 1HB ASN 18 2HB ASN 18 -4.281 4.428 0.968 120 2HB ASN 18 1HB ASN 18 -4.950 4.621 -0.647 121 1HD2 ASN 18 1HD2 ASN 18 -7.139 4.445 -0.957 122 2HD2 ASN 18 2HD2 ASN 18 -8.274 4.482 0.350 123 H VAL 19 H VAL 19 -2.167 2.281 0.329 124 HA VAL 19 HA VAL 19 -2.522 1.112 3.008 125 HB VAL 19 HB VAL 19 -0.647 -0.414 2.613 126 1HG1 VAL 19 1HG1 VAL 19 -2.930 -1.197 2.226 127 2HG1 VAL 19 2HG1 VAL 19 -1.775 -2.002 1.165 128 3HG1 VAL 19 3HG1 VAL 19 -2.806 -0.717 0.533 129 1HG2 VAL 19 1HG2 VAL 19 0.228 -0.777 0.356 130 2HG2 VAL 19 2HG2 VAL 19 0.551 0.862 0.921 131 3HG2 VAL 19 3HG2 VAL 19 -0.747 0.569 -0.237 132 H SER 20 H SER 20 -0.434 1.174 4.271 133 HA SER 20 HA SER 20 1.300 3.395 3.483 134 1HB SER 20 2HB SER 20 -0.731 3.771 5.292 135 2HB SER 20 1HB SER 20 0.625 3.383 6.336 136 HG SER 20 HG SER 20 0.288 5.548 4.600 137 H LEU 21 H LEU 21 3.352 3.389 4.478 138 HA LEU 21 HA LEU 21 4.413 0.795 5.002 139 1HB LEU 21 2HB LEU 21 5.469 3.564 4.826 140 2HB LEU 21 1HB LEU 21 6.441 2.389 5.686 141 HG LEU 21 HG LEU 21 7.020 2.738 3.263 142 1HD1 LEU 21 1HD1 LEU 21 6.259 -0.022 4.186 143 2HD1 LEU 21 2HD1 LEU 21 7.789 0.810 4.470 144 3HD1 LEU 21 3HD1 LEU 21 7.334 0.335 2.834 145 1HD2 LEU 21 1HD2 LEU 21 4.447 1.230 2.833 146 2HD2 LEU 21 2HD2 LEU 21 5.658 1.576 1.599 147 3HD2 LEU 21 3HD2 LEU 21 4.768 2.898 2.356 148 H ILE 22 H ILE 22 4.520 -0.256 6.868 149 HA ILE 22 HA ILE 22 3.835 1.129 9.343 150 HB ILE 22 HB ILE 22 3.738 -1.069 10.371 151 1HG1 ILE 22 2HG1 ILE 22 4.660 -2.144 7.692 152 2HG1 ILE 22 1HG1 ILE 22 5.667 -2.041 9.133 153 1HG2 ILE 22 1HG2 ILE 22 2.412 -1.052 7.659 154 2HG2 ILE 22 2HG2 ILE 22 1.794 -0.272 9.113 155 3HG2 ILE 22 3HG2 ILE 22 1.927 -2.030 9.045 156 1HD1 ILE 22 1HD1 ILE 22 3.177 -3.699 8.830 157 2HD1 ILE 22 2HD1 ILE 22 4.179 -3.596 10.279 158 3HD1 ILE 22 3HD1 ILE 22 4.839 -4.288 8.796 159 H LYS 23 H LYS 23 6.602 0.438 7.665 160 HA LYS 23 HA LYS 23 8.289 1.248 9.835 161 1HB LYS 23 2HB LYS 23 9.843 -0.758 9.505 162 2HB LYS 23 1HB LYS 23 8.379 -1.041 10.438 163 1HG LYS 23 2HG LYS 23 7.409 -2.312 8.792 164 2HG LYS 23 1HG LYS 23 8.361 -1.569 7.513 165 1HD LYS 23 2HD LYS 23 9.248 -3.721 7.700 166 2HD LYS 23 1HD LYS 23 10.378 -2.715 8.603 167 1HE LYS 23 2HE LYS 23 8.137 -4.292 9.859 168 2HE LYS 23 1HE LYS 23 9.788 -4.879 9.695 169 1HZ LYS 23 1HZ LYS 23 9.577 -4.011 11.862 170 2HZ LYS 23 2HZ LYS 23 8.830 -2.590 11.319 171 3HZ LYS 23 3HZ LYS 23 10.476 -2.864 10.992 172 H ASP 24 H ASP 24 10.733 0.888 8.867 173 HA ASP 24 HA ASP 24 10.626 2.319 6.324 174 1HB ASP 24 2HB ASP 24 13.182 1.757 7.769 175 2HB ASP 24 1HB ASP 24 12.721 3.179 6.842 176 H LEU 25 H LEU 25 10.856 1.198 4.494 177 HA LEU 25 HA LEU 25 12.347 -1.343 4.587 178 1HB LEU 25 2HB LEU 25 9.950 -0.539 2.960 179 2HB LEU 25 1HB LEU 25 10.994 -1.845 2.444 180 HG LEU 25 HG LEU 25 9.077 -2.767 3.545 181 1HD1 LEU 25 1HD1 LEU 25 11.512 -2.933 5.312 182 2HD1 LEU 25 2HD1 LEU 25 11.122 -3.977 3.946 183 3HD1 LEU 25 3HD1 LEU 25 10.122 -4.016 5.402 184 1HD2 LEU 25 1HD2 LEU 25 9.805 -1.072 5.915 185 2HD2 LEU 25 2HD2 LEU 25 8.532 -2.292 5.861 186 3HD2 LEU 25 3HD2 LEU 25 8.412 -0.851 4.858 187 H LYS 26 H LYS 26 14.216 -1.268 3.595 188 HA LYS 26 HA LYS 26 14.680 0.804 1.592 189 1HB LYS 26 2HB LYS 26 16.265 0.733 3.413 190 2HB LYS 26 1HB LYS 26 16.552 -0.968 3.140 191 1HG LYS 26 2HG LYS 26 17.116 0.801 0.860 192 2HG LYS 26 1HG LYS 26 18.176 0.961 2.262 193 1HD LYS 26 2HD LYS 26 17.557 -1.628 0.835 194 2HD LYS 26 1HD LYS 26 19.025 -0.672 0.619 195 1HE LYS 26 2HE LYS 26 18.106 -1.861 3.232 196 2HE LYS 26 1HE LYS 26 19.322 -2.577 2.172 197 1HZ LYS 26 1HZ LYS 26 20.639 -0.524 2.448 198 2HZ LYS 26 2HZ LYS 26 20.405 -1.351 3.907 199 3HZ LYS 26 3HZ LYS 26 19.502 0.039 3.570 200 H LEU 27 H LEU 27 15.418 0.356 -0.444 201 HA LEU 27 HA LEU 27 15.096 -2.421 -1.353 202 1HB LEU 27 2HB LEU 27 14.429 0.188 -2.706 203 2HB LEU 27 1HB LEU 27 14.445 -1.348 -3.536 204 HG LEU 27 HG LEU 27 12.626 -0.600 -1.246 205 1HD1 LEU 27 1HD1 LEU 27 12.045 -0.990 -4.177 206 2HD1 LEU 27 2HD1 LEU 27 12.064 0.551 -3.322 207 3HD1 LEU 27 3HD1 LEU 27 10.853 -0.666 -2.921 208 1HD2 LEU 27 1HD2 LEU 27 11.498 -2.722 -1.715 209 2HD2 LEU 27 2HD2 LEU 27 13.170 -2.976 -1.214 210 3HD2 LEU 27 3HD2 LEU 27 12.729 -3.109 -2.918 211 H LYS 28 H LYS 28 16.370 -3.055 -3.172 212 HA LYS 28 HA LYS 28 18.169 -3.192 -4.530 213 1HB LYS 28 2HB LYS 28 18.638 -0.281 -3.884 214 2HB LYS 28 1HB LYS 28 19.411 -1.193 -5.169 215 1HG LYS 28 2HG LYS 28 17.335 -1.445 -6.334 216 2HG LYS 28 1HG LYS 28 16.445 -0.726 -4.990 217 1HD LYS 28 2HD LYS 28 16.691 0.936 -6.690 218 2HD LYS 28 1HD LYS 28 17.750 1.370 -5.348 219 1HE LYS 28 2HE LYS 28 19.644 0.344 -6.571 220 2HE LYS 28 1HE LYS 28 18.561 0.036 -7.929 221 1HZ LYS 28 1HZ LYS 28 19.641 2.023 -8.452 222 2HZ LYS 28 2HZ LYS 28 19.496 2.636 -6.884 223 3HZ LYS 28 3HZ LYS 28 18.126 2.528 -7.873 224 H GLY 29 H GLY 29 19.147 -1.029 -1.867 225 1HA GLY 29 2HA GLY 29 20.545 -2.642 -0.255 226 2HA GLY 29 1HA GLY 29 21.658 -2.461 -1.606 227 H SER 30 H SER 30 21.676 0.011 -2.339 228 HA SER 30 HA SER 30 21.724 1.766 -0.001 229 1HB SER 30 2HB SER 30 24.047 2.565 -0.858 230 2HB SER 30 1HB SER 30 23.963 1.087 0.102 231 HG SER 30 HG SER 30 24.464 -0.084 -1.601 232 H SER 31 H SER 31 19.799 2.050 -1.734 233 HA SER 31 HA SER 31 20.512 4.496 -3.152 234 1HB SER 31 2HB SER 31 18.945 2.263 -4.464 235 2HB SER 31 1HB SER 31 19.316 3.834 -5.175 236 HG SER 31 HG SER 31 21.620 2.884 -4.441 237 H THR 32 H THR 32 17.603 2.425 -3.078 238 HA THR 32 HA THR 32 16.077 4.804 -2.322 239 HB THR 32 HB THR 32 15.018 2.153 -3.324 240 HG1 THR 32 1HG THR 32 15.716 4.552 -4.722 241 1HG2 THR 32 1HG2 THR 32 13.765 4.902 -3.153 242 2HG2 THR 32 2HG2 THR 32 13.361 3.510 -2.147 243 3HG2 THR 32 3HG2 THR 32 13.015 3.480 -3.877 244 H VAL 33 H VAL 33 16.041 4.987 -0.159 245 HA VAL 33 HA VAL 33 15.290 2.606 1.427 246 HB VAL 33 HB VAL 33 16.354 5.228 2.503 247 1HG1 VAL 33 1HG1 VAL 33 16.149 2.470 3.708 248 2HG1 VAL 33 2HG1 VAL 33 15.162 3.872 4.120 249 3HG1 VAL 33 3HG1 VAL 33 16.887 3.870 4.483 250 1HG2 VAL 33 1HG2 VAL 33 18.065 4.360 1.057 251 2HG2 VAL 33 2HG2 VAL 33 17.891 2.746 1.748 252 3HG2 VAL 33 3HG2 VAL 33 18.539 4.062 2.730 253 H LEU 34 H LEU 34 13.108 2.546 1.650 254 HA LEU 34 HA LEU 34 11.597 5.026 1.783 255 1HB LEU 34 2HB LEU 34 10.746 2.139 1.773 256 2HB LEU 34 1HB LEU 34 9.622 3.464 2.004 257 HG LEU 34 HG LEU 34 10.670 4.309 -0.269 258 1HD1 LEU 34 1HD1 LEU 34 11.202 2.468 -1.769 259 2HD1 LEU 34 2HD1 LEU 34 11.059 1.324 -0.434 260 3HD1 LEU 34 3HD1 LEU 34 12.342 2.536 -0.424 261 1HD2 LEU 34 1HD2 LEU 34 8.839 3.199 -1.432 262 2HD2 LEU 34 2HD2 LEU 34 8.329 3.809 0.145 263 3HD2 LEU 34 3HD2 LEU 34 8.647 2.088 -0.074 264 H LYS 35 H LYS 35 10.306 5.620 3.535 265 HA LYS 35 HA LYS 35 11.323 4.551 6.078 266 1HB LYS 35 2HB LYS 35 10.520 7.337 5.273 267 2HB LYS 35 1HB LYS 35 10.674 6.860 6.959 268 1HG LYS 35 2HG LYS 35 12.898 6.531 4.968 269 2HG LYS 35 1HG LYS 35 12.678 7.994 5.932 270 1HD LYS 35 2HD LYS 35 13.049 5.205 7.030 271 2HD LYS 35 1HD LYS 35 14.304 6.444 6.939 272 1HE LYS 35 2HE LYS 35 13.026 7.878 8.430 273 2HE LYS 35 1HE LYS 35 11.715 6.696 8.472 274 1HZ LYS 35 1HZ LYS 35 14.478 6.121 9.400 275 2HZ LYS 35 2HZ LYS 35 13.096 5.157 9.600 276 3HZ LYS 35 3HZ LYS 35 13.224 6.630 10.424 277 H ARG 36 H ARG 36 9.897 4.724 7.918 278 HA ARG 36 HA ARG 36 7.360 3.619 7.526 279 1HB ARG 36 2HB ARG 36 8.769 3.563 9.618 280 2HB ARG 36 1HB ARG 36 8.273 5.219 9.916 281 1HG ARG 36 2HG ARG 36 5.985 4.569 10.159 282 2HG ARG 36 1HG ARG 36 6.355 2.916 9.660 283 1HD ARG 36 2HD ARG 36 7.799 2.656 11.608 284 2HD ARG 36 1HD ARG 36 7.416 4.299 12.114 285 HE ARG 36 HE ARG 36 5.089 2.651 11.790 286 1HH1 ARG 36 1HH1 ARG 36 7.650 3.606 13.980 287 2HH1 ARG 36 2HH1 ARG 36 6.777 3.125 15.409 288 1HH2 ARG 36 1HH2 ARG 36 3.931 2.060 13.652 289 2HH2 ARG 36 2HH2 ARG 36 4.648 2.277 15.224 290 H GLY 37 H GLY 37 5.349 4.476 7.319 291 1HA GLY 37 2HA GLY 37 3.726 6.193 7.473 292 2HA GLY 37 1HA GLY 37 5.019 7.373 7.598 293 H THR 38 H THR 38 5.963 5.420 5.150 294 HA THR 38 HA THR 38 5.348 7.245 3.096 295 HB THR 38 HB THR 38 6.138 4.331 2.841 296 HG1 THR 38 1HG THR 38 7.798 5.401 3.834 297 1HG2 THR 38 1HG2 THR 38 6.243 6.567 0.808 298 2HG2 THR 38 2HG2 THR 38 5.136 5.195 0.775 299 3HG2 THR 38 3HG2 THR 38 6.870 4.935 0.579 300 H MET 39 H MET 39 3.519 7.579 2.057 301 HA MET 39 HA MET 39 1.318 5.722 2.540 302 1HB MET 39 2HB MET 39 1.104 8.198 2.988 303 2HB MET 39 1HB MET 39 1.203 8.454 1.249 304 1HG MET 39 2HG MET 39 -1.100 8.473 2.009 305 2HG MET 39 1HG MET 39 -0.804 7.110 0.926 306 1HE MET 39 1HE MET 39 -3.429 5.628 3.426 307 2HE MET 39 2HE MET 39 -3.040 5.944 1.733 308 3HE MET 39 3HE MET 39 -3.372 7.287 2.829 309 H ILE 40 H ILE 40 0.970 4.209 1.076 310 HA ILE 40 HA ILE 40 1.425 4.852 -1.761 311 HB ILE 40 HB ILE 40 1.338 2.113 -0.473 312 1HG1 ILE 40 2HG1 ILE 40 3.667 3.723 -1.553 313 2HG1 ILE 40 1HG1 ILE 40 3.371 3.336 0.138 314 1HG2 ILE 40 1HG2 ILE 40 1.899 2.963 -3.313 315 2HG2 ILE 40 2HG2 ILE 40 0.520 2.025 -2.739 316 3HG2 ILE 40 3HG2 ILE 40 2.142 1.333 -2.685 317 1HD1 ILE 40 1HD1 ILE 40 4.000 1.369 -2.050 318 2HD1 ILE 40 2HD1 ILE 40 3.675 0.959 -0.366 319 3HD1 ILE 40 3HD1 ILE 40 5.098 1.914 -0.783 320 H ARG 41 H ARG 41 -0.540 5.759 -2.187 321 HA ARG 41 HA ARG 41 -2.915 4.147 -1.589 322 1HB ARG 41 2HB ARG 41 -4.160 6.321 -1.953 323 2HB ARG 41 1HB ARG 41 -3.135 6.243 -0.532 324 1HG ARG 41 2HG ARG 41 -2.560 8.300 -1.272 325 2HG ARG 41 1HG ARG 41 -1.390 7.353 -2.192 326 1HD ARG 41 2HD ARG 41 -2.510 9.020 -3.588 327 2HD ARG 41 1HD ARG 41 -2.866 7.375 -4.122 328 HE ARG 41 HE ARG 41 -4.962 7.803 -2.582 329 1HH1 ARG 41 1HH1 ARG 41 -3.471 10.001 -4.873 330 2HH1 ARG 41 2HH1 ARG 41 -4.965 10.828 -5.228 331 1HH2 ARG 41 1HH2 ARG 41 -6.897 8.869 -3.048 332 2HH2 ARG 41 2HH2 ARG 41 -6.922 10.158 -4.206 333 H GLY 42 H GLY 42 -4.293 3.520 -3.162 334 1HA GLY 42 2HA GLY 42 -5.156 3.494 -5.377 335 2HA GLY 42 1HA GLY 42 -3.707 4.333 -5.923 336 H ILE 43 H ILE 43 -4.128 1.427 -3.944 337 HA ILE 43 HA ILE 43 -2.188 0.049 -5.635 338 HB ILE 43 HB ILE 43 -2.011 -1.608 -3.894 339 1HG1 ILE 43 2HG1 ILE 43 -3.398 -0.873 -1.693 340 2HG1 ILE 43 1HG1 ILE 43 -4.543 -0.401 -2.941 341 1HG2 ILE 43 1HG2 ILE 43 -2.083 1.148 -2.685 342 2HG2 ILE 43 2HG2 ILE 43 -0.740 0.443 -3.585 343 3HG2 ILE 43 3HG2 ILE 43 -1.219 -0.245 -2.035 344 1HD1 ILE 43 1HD1 ILE 43 -4.477 -2.690 -3.829 345 2HD1 ILE 43 2HD1 ILE 43 -5.028 -2.625 -2.155 346 3HD1 ILE 43 3HD1 ILE 43 -3.383 -3.145 -2.524 347 H ARG 44 H ARG 44 -2.633 -2.301 -6.061 348 HA ARG 44 HA ARG 44 -5.430 -3.056 -6.165 349 1HB ARG 44 2HB ARG 44 -5.272 -3.648 -8.595 350 2HB ARG 44 1HB ARG 44 -5.331 -1.928 -8.244 351 1HG ARG 44 2HG ARG 44 -2.904 -1.797 -8.540 352 2HG ARG 44 1HG ARG 44 -2.873 -3.519 -8.932 353 1HD ARG 44 2HD ARG 44 -2.872 -2.101 -10.945 354 2HD ARG 44 1HD ARG 44 -4.294 -3.140 -10.847 355 HE ARG 44 HE ARG 44 -5.497 -1.126 -9.994 356 1HH1 ARG 44 1HH1 ARG 44 -2.664 -0.818 -12.036 357 2HH1 ARG 44 2HH1 ARG 44 -3.081 0.783 -12.586 358 1HH2 ARG 44 1HH2 ARG 44 -6.050 0.977 -10.718 359 2HH2 ARG 44 2HH2 ARG 44 -5.007 1.791 -11.848 360 H LEU 45 H LEU 45 -5.753 -5.293 -6.686 361 HA LEU 45 HA LEU 45 -3.630 -6.944 -5.657 362 1HB LEU 45 2HB LEU 45 -6.238 -7.877 -6.852 363 2HB LEU 45 1HB LEU 45 -5.210 -8.739 -5.723 364 HG LEU 45 HG LEU 45 -6.941 -6.344 -5.149 365 1HD1 LEU 45 1HD1 LEU 45 -6.988 -9.167 -4.116 366 2HD1 LEU 45 2HD1 LEU 45 -8.134 -8.447 -5.248 367 3HD1 LEU 45 3HD1 LEU 45 -8.048 -7.860 -3.586 368 1HD2 LEU 45 1HD2 LEU 45 -4.833 -6.107 -3.954 369 2HD2 LEU 45 2HD2 LEU 45 -5.026 -7.730 -3.290 370 3HD2 LEU 45 3HD2 LEU 45 -6.168 -6.456 -2.856 371 H THR 46 H THR 46 -2.228 -8.119 -6.818 372 HA THR 46 HA THR 46 -2.089 -7.548 -9.639 373 HB THR 46 HB THR 46 0.105 -8.789 -9.461 374 HG1 THR 46 1HG THR 46 0.193 -8.603 -6.736 375 1HG2 THR 46 1HG2 THR 46 -0.019 -6.346 -9.246 376 2HG2 THR 46 2HG2 THR 46 1.226 -7.025 -8.194 377 3HG2 THR 46 3HG2 THR 46 -0.322 -6.520 -7.516 378 H ASP 47 H ASP 47 -1.603 -10.422 -7.823 379 HA ASP 47 HA ASP 47 -3.247 -12.234 -9.194 380 1HB ASP 47 2HB ASP 47 -1.809 -11.955 -11.124 381 2HB ASP 47 1HB ASP 47 -0.363 -12.060 -10.127 382 H SER 48 H SER 48 -0.263 -11.520 -7.584 383 HA SER 48 HA SER 48 -0.102 -13.877 -6.008 384 1HB SER 48 2HB SER 48 1.111 -11.129 -5.634 385 2HB SER 48 1HB SER 48 1.634 -12.599 -4.820 386 HG SER 48 HG SER 48 2.927 -12.747 -6.490 387 H GLU 49 H GLU 49 -0.690 -14.151 -3.864 388 HA GLU 49 HA GLU 49 -2.860 -12.442 -2.933 389 1HB GLU 49 2HB GLU 49 -1.792 -14.917 -1.579 390 2HB GLU 49 1HB GLU 49 -3.384 -14.188 -1.407 391 1HG GLU 49 2HG GLU 49 -3.961 -15.855 -2.794 392 2HG GLU 49 1HG GLU 49 -3.435 -14.701 -4.014 393 H ASP 50 H ASP 50 0.444 -12.981 -2.416 394 HA ASP 50 HA ASP 50 0.383 -11.672 0.215 395 1HB ASP 50 2HB ASP 50 1.607 -13.879 -0.181 396 2HB ASP 50 1HB ASP 50 2.774 -12.942 -1.110 397 H GLU 51 H GLU 51 0.647 -10.842 -2.947 398 HA GLU 51 HA GLU 51 2.283 -8.498 -2.307 399 1HB GLU 51 2HB GLU 51 2.573 -10.345 -4.635 400 2HB GLU 51 1HB GLU 51 3.030 -8.665 -4.784 401 1HG GLU 51 2HG GLU 51 4.907 -8.944 -3.634 402 2HG GLU 51 1HG GLU 51 4.109 -9.916 -2.406 403 H ILE 52 H ILE 52 1.737 -6.653 -3.262 404 HA ILE 52 HA ILE 52 -0.558 -6.649 -5.098 405 HB ILE 52 HB ILE 52 -1.338 -4.523 -4.030 406 1HG1 ILE 52 2HG1 ILE 52 0.226 -5.290 -1.590 407 2HG1 ILE 52 1HG1 ILE 52 0.972 -4.285 -2.829 408 1HG2 ILE 52 1HG2 ILE 52 -2.534 -5.575 -2.215 409 2HG2 ILE 52 2HG2 ILE 52 -1.382 -6.909 -2.195 410 3HG2 ILE 52 3HG2 ILE 52 -2.436 -6.674 -3.591 411 1HD1 ILE 52 1HD1 ILE 52 0.003 -2.975 -1.007 412 2HD1 ILE 52 2HD1 ILE 52 -1.587 -3.640 -1.390 413 3HD1 ILE 52 3HD1 ILE 52 -0.749 -2.622 -2.564 414 H GLU 53 H GLU 53 -0.741 -4.353 -6.087 415 HA GLU 53 HA GLU 53 1.950 -3.216 -6.436 416 1HB GLU 53 2HB GLU 53 1.162 -4.478 -8.421 417 2HB GLU 53 1HB GLU 53 -0.232 -3.428 -8.493 418 1HG GLU 53 2HG GLU 53 1.429 -1.503 -8.686 419 2HG GLU 53 1HG GLU 53 2.632 -2.749 -9.017 420 H GLY 54 H GLY 54 2.068 -1.014 -6.267 421 1HA GLY 54 2HA GLY 54 -0.458 0.471 -6.178 422 2HA GLY 54 1HA GLY 54 0.586 0.532 -4.769 423 H ARG 55 H ARG 55 0.656 2.840 -5.136 424 HA ARG 55 HA ARG 55 2.771 3.583 -6.981 425 1HB ARG 55 2HB ARG 55 1.452 5.353 -8.026 426 2HB ARG 55 1HB ARG 55 0.756 3.771 -8.345 427 1HG ARG 55 2HG ARG 55 -0.751 4.281 -6.313 428 2HG ARG 55 1HG ARG 55 -0.255 5.953 -6.580 429 1HD ARG 55 2HD ARG 55 -2.314 5.555 -7.752 430 2HD ARG 55 1HD ARG 55 -1.009 5.754 -8.924 431 HE ARG 55 HE ARG 55 -2.229 3.176 -8.162 432 1HH1 ARG 55 1HH1 ARG 55 -0.492 5.197 -10.426 433 2HH1 ARG 55 2HH1 ARG 55 -0.461 3.995 -11.687 434 1HH2 ARG 55 1HH2 ARG 55 -2.195 1.589 -9.808 435 2HH2 ARG 55 2HH2 ARG 55 -1.420 1.930 -11.324 436 H THR 56 H THR 56 3.760 5.508 -6.454 437 HA THR 56 HA THR 56 2.912 6.780 -3.933 438 HB THR 56 HB THR 56 5.237 7.148 -3.351 439 HG1 THR 56 1HG THR 56 5.898 5.798 -5.773 440 1HG2 THR 56 1HG2 THR 56 4.783 4.297 -4.238 441 2HG2 THR 56 2HG2 THR 56 4.459 4.980 -2.641 442 3HG2 THR 56 3HG2 THR 56 6.123 4.819 -3.216 443 H ASP 57 H ASP 57 4.408 8.961 -3.863 444 HA ASP 57 HA ASP 57 3.568 10.726 -5.860 445 1HB ASP 57 2HB ASP 57 4.287 11.555 -3.719 446 2HB ASP 57 1HB ASP 57 5.891 10.862 -3.929 447 H LYS 58 H LYS 58 6.321 8.605 -5.700 448 HA LYS 58 HA LYS 58 7.372 9.745 -8.206 449 1HB LYS 58 2HB LYS 58 8.824 8.328 -5.971 450 2HB LYS 58 1HB LYS 58 9.563 8.769 -7.502 451 1HG LYS 58 2HG LYS 58 9.255 11.103 -7.045 452 2HG LYS 58 1HG LYS 58 8.320 10.739 -5.594 453 1HD LYS 58 2HD LYS 58 10.304 9.690 -4.595 454 2HD LYS 58 1HD LYS 58 11.232 10.091 -6.043 455 1HE LYS 58 2HE LYS 58 10.929 12.449 -5.643 456 2HE LYS 58 1HE LYS 58 9.856 12.116 -4.284 457 1HZ LYS 58 1HZ LYS 58 12.727 11.367 -4.410 458 2HZ LYS 58 2HZ LYS 58 11.687 11.133 -3.091 459 3HZ LYS 58 3HZ LYS 58 12.101 12.706 -3.574 460 H ILE 59 H ILE 59 7.749 6.684 -6.463 461 HA ILE 59 HA ILE 59 7.845 5.157 -8.882 462 HB ILE 59 HB ILE 59 7.313 3.890 -6.218 463 1HG1 ILE 59 2HG1 ILE 59 10.010 3.848 -6.262 464 2HG1 ILE 59 1HG1 ILE 59 9.730 5.430 -6.974 465 1HG2 ILE 59 1HG2 ILE 59 7.377 2.473 -8.172 466 2HG2 ILE 59 2HG2 ILE 59 8.769 2.140 -7.140 467 3HG2 ILE 59 3HG2 ILE 59 8.968 3.099 -8.606 468 1HD1 ILE 59 1HD1 ILE 59 8.737 4.482 -4.299 469 2HD1 ILE 59 2HD1 ILE 59 8.423 6.067 -5.002 470 3HD1 ILE 59 3HD1 ILE 59 10.069 5.599 -4.586 471 H LYS 60 H LYS 60 5.968 5.123 -10.029 472 HA LYS 60 HA LYS 60 3.559 4.289 -8.567 473 1HB LYS 60 2HB LYS 60 2.287 5.165 -10.528 474 2HB LYS 60 1HB LYS 60 3.175 6.397 -9.644 475 1HG LYS 60 2HG LYS 60 4.902 6.417 -11.334 476 2HG LYS 60 1HG LYS 60 4.100 5.101 -12.192 477 1HD LYS 60 2HD LYS 60 3.643 7.291 -13.216 478 2HD LYS 60 1HD LYS 60 2.173 6.520 -12.615 479 1HE LYS 60 2HE LYS 60 2.320 7.890 -10.573 480 2HE LYS 60 1HE LYS 60 3.749 8.687 -11.232 481 1HZ LYS 60 1HZ LYS 60 2.452 9.575 -13.011 482 2HZ LYS 60 2HZ LYS 60 1.676 9.951 -11.553 483 3HZ LYS 60 3HZ LYS 60 1.082 8.700 -12.529 484 H GLY 61 H GLY 61 2.658 2.387 -9.016 485 1HA GLY 61 2HA GLY 61 2.162 0.454 -10.198 486 2HA GLY 61 1HA GLY 61 3.172 1.028 -11.519 487 H LEU 62 H LEU 62 3.903 0.443 -8.082 488 HA LEU 62 HA LEU 62 5.950 -1.464 -8.984 489 1HB LEU 62 2HB LEU 62 7.336 -0.890 -7.189 490 2HB LEU 62 1HB LEU 62 6.732 0.643 -7.773 491 HG LEU 62 HG LEU 62 5.582 -0.782 -5.379 492 1HD1 LEU 62 1HD1 LEU 62 7.654 1.409 -5.477 493 2HD1 LEU 62 2HD1 LEU 62 7.926 -0.259 -4.972 494 3HD1 LEU 62 3HD1 LEU 62 6.875 0.790 -4.022 495 1HD2 LEU 62 1HD2 LEU 62 5.329 2.047 -6.399 496 2HD2 LEU 62 2HD2 LEU 62 4.721 1.479 -4.845 497 3HD2 LEU 62 3HD2 LEU 62 4.058 0.826 -6.343 498 H VAL 63 H VAL 63 5.974 -3.485 -8.134 499 HA VAL 63 HA VAL 63 3.579 -4.236 -6.631 500 HB VAL 63 HB VAL 63 5.614 -6.056 -7.941 501 1HG1 VAL 63 1HG1 VAL 63 2.832 -6.587 -6.894 502 2HG1 VAL 63 2HG1 VAL 63 4.344 -7.133 -6.162 503 3HG1 VAL 63 3HG1 VAL 63 3.852 -7.755 -7.737 504 1HG2 VAL 63 1HG2 VAL 63 3.989 -6.326 -9.748 505 2HG2 VAL 63 2HG2 VAL 63 4.524 -4.651 -9.616 506 3HG2 VAL 63 3HG2 VAL 63 2.943 -5.123 -8.992 507 H LEU 64 H LEU 64 3.694 -4.521 -4.539 508 HA LEU 64 HA LEU 64 6.280 -5.315 -3.369 509 1HB LEU 64 2HB LEU 64 4.477 -3.072 -2.552 510 2HB LEU 64 1HB LEU 64 5.476 -3.878 -1.359 511 HG LEU 64 HG LEU 64 6.616 -2.668 -3.868 512 1HD1 LEU 64 1HD1 LEU 64 6.336 -1.422 -1.137 513 2HD1 LEU 64 2HD1 LEU 64 5.522 -0.902 -2.617 514 3HD1 LEU 64 3HD1 LEU 64 7.274 -0.762 -2.478 515 1HD2 LEU 64 1HD2 LEU 64 7.787 -3.636 -1.261 516 2HD2 LEU 64 2HD2 LEU 64 8.689 -2.713 -2.469 517 3HD2 LEU 64 3HD2 LEU 64 8.048 -4.306 -2.873 518 H ARG 65 H ARG 65 6.244 -6.673 -1.676 519 HA ARG 65 HA ARG 65 3.988 -8.275 -1.164 520 1HB ARG 65 2HB ARG 65 5.397 -8.891 0.935 521 2HB ARG 65 1HB ARG 65 5.972 -9.344 -0.658 522 1HG ARG 65 2HG ARG 65 7.532 -7.556 -0.685 523 2HG ARG 65 1HG ARG 65 6.860 -6.854 0.782 524 1HD ARG 65 2HD ARG 65 7.530 -8.867 2.022 525 2HD ARG 65 1HD ARG 65 8.210 -9.547 0.546 526 HE ARG 65 HE ARG 65 9.574 -7.264 0.731 527 1HH1 ARG 65 1HH1 ARG 65 8.798 -9.662 3.178 528 2HH1 ARG 65 2HH1 ARG 65 10.280 -9.403 4.063 529 1HH2 ARG 65 1HH2 ARG 65 11.499 -6.935 1.884 530 2HH2 ARG 65 2HH2 ARG 65 11.828 -7.861 3.317 531 H THR 66 H THR 66 2.463 -8.194 0.368 532 HA THR 66 HA THR 66 2.118 -5.592 1.620 533 HB THR 66 HB THR 66 0.283 -6.491 0.302 534 HG1 THR 66 1HG THR 66 -1.037 -6.800 2.629 535 1HG2 THR 66 1HG2 THR 66 0.268 -8.776 2.275 536 2HG2 THR 66 2HG2 THR 66 0.690 -8.864 0.565 537 3HG2 THR 66 3HG2 THR 66 -0.962 -8.481 1.044 538 H GLU 67 H GLU 67 4.138 -7.367 2.718 539 HA GLU 67 HA GLU 67 3.024 -8.505 5.145 540 1HB GLU 67 2HB GLU 67 5.934 -8.014 4.510 541 2HB GLU 67 1HB GLU 67 5.268 -9.162 5.663 542 1HG GLU 67 2HG GLU 67 4.179 -10.273 3.666 543 2HG GLU 67 1HG GLU 67 5.250 -9.291 2.677 544 H PHE 68 H PHE 68 4.522 -5.641 4.046 545 HA PHE 68 HA PHE 68 4.771 -4.630 6.795 546 1HB PHE 68 2HB PHE 68 6.610 -3.208 5.935 547 2HB PHE 68 1HB PHE 68 6.921 -4.934 5.758 548 HD1 PHE 68 1HD PHE 68 5.962 -1.881 3.909 549 HD2 PHE 68 2HD PHE 68 7.326 -5.904 3.672 550 HE1 PHE 68 1HE PHE 68 6.468 -1.566 1.520 551 HE2 PHE 68 2HE PHE 68 7.829 -5.597 1.285 552 HZ PHE 68 HZ PHE 68 7.404 -3.426 0.206 553 H LEU 69 H LEU 69 2.514 -4.481 4.752 554 HA LEU 69 HA LEU 69 2.319 -1.546 4.648 555 1HB LEU 69 2HB LEU 69 0.897 -3.558 2.909 556 2HB LEU 69 1HB LEU 69 0.761 -1.818 2.786 557 HG LEU 69 HG LEU 69 3.314 -3.355 2.309 558 1HD1 LEU 69 1HD1 LEU 69 2.920 -2.878 -0.065 559 2HD1 LEU 69 2HD1 LEU 69 1.339 -2.207 0.341 560 3HD1 LEU 69 3HD1 LEU 69 1.669 -3.917 0.617 561 1HD2 LEU 69 1HD2 LEU 69 4.085 -1.247 1.334 562 2HD2 LEU 69 2HD2 LEU 69 3.668 -1.062 3.039 563 3HD2 LEU 69 3HD2 LEU 69 2.563 -0.480 1.793 564 H LYS 70 H LYS 70 0.438 -0.578 5.255 565 HA LYS 70 HA LYS 70 -1.427 -2.269 6.784 566 1HB LYS 70 2HB LYS 70 0.164 -0.252 7.770 567 2HB LYS 70 1HB LYS 70 -1.340 0.593 7.446 568 1HG LYS 70 2HG LYS 70 -0.936 -1.793 9.221 569 2HG LYS 70 1HG LYS 70 -1.397 -0.157 9.708 570 1HD LYS 70 2HD LYS 70 -3.462 -0.457 8.284 571 2HD LYS 70 1HD LYS 70 -3.018 -2.149 8.133 572 1HE LYS 70 2HE LYS 70 -3.168 -2.427 10.547 573 2HE LYS 70 1HE LYS 70 -3.563 -0.716 10.732 574 1HZ LYS 70 1HZ LYS 70 -5.537 -2.153 10.783 575 2HZ LYS 70 2HZ LYS 70 -5.196 -2.675 9.207 576 3HZ LYS 70 3HZ LYS 70 -5.592 -1.052 9.495 577 H LYS 71 H LYS 71 -3.518 -2.197 6.158 578 HA LYS 71 HA LYS 71 -4.350 -0.622 3.944 579 1HB LYS 71 2HB LYS 71 -5.323 -2.848 4.793 580 2HB LYS 71 1HB LYS 71 -6.197 -1.881 5.970 581 1HG LYS 71 2HG LYS 71 -6.391 -1.266 3.052 582 2HG LYS 71 1HG LYS 71 -7.347 -2.556 3.763 583 1HD LYS 71 2HD LYS 71 -8.211 -0.872 5.414 584 2HD LYS 71 1HD LYS 71 -7.400 0.371 4.456 585 1HE LYS 71 2HE LYS 71 -8.714 -0.241 2.508 586 2HE LYS 71 1HE LYS 71 -9.481 -1.547 3.409 587 1HZ LYS 71 1HZ LYS 71 -10.279 0.254 4.969 588 2HZ LYS 71 2HZ LYS 71 -10.998 0.211 3.437 589 3HZ LYS 71 3HZ LYS 71 -9.811 1.372 3.780 590 H ALA 72 H ALA 72 -4.964 1.425 3.913 591 HA ALA 72 HA ALA 72 -4.834 2.879 6.413 592 1HB ALA 72 1HB ALA 72 -3.629 3.698 4.453 593 2HB ALA 72 2HB ALA 72 -4.805 4.877 5.032 594 3HB ALA 72 3HB ALA 72 -5.159 3.909 3.600 595 H GLY 73 H GLY 73 -6.462 3.828 7.468 596 1HA GLY 73 2HA GLY 73 -8.564 4.801 7.775 597 2HA GLY 73 1HA GLY 73 -9.009 4.300 6.149 598 H SER 74 H SER 74 -7.580 1.939 8.184 599 HA SER 74 HA SER 74 -10.064 0.919 9.225 600 1HB SER 74 2HB SER 74 -8.569 -0.660 7.111 601 2HB SER 74 1HB SER 74 -9.956 -1.235 8.041 602 HG SER 74 HG SER 74 -10.563 1.126 6.940 Start of MODEL 9 1 1H MET 1 1HT MET 1 -8.673 -18.444 -7.614 2 2H MET 1 2HT MET 1 -9.981 -18.955 -8.568 3 3H MET 1 3HT MET 1 -9.944 -19.323 -6.913 4 HA MET 1 HA MET 1 -10.128 -16.608 -8.079 5 1HB MET 1 2HB MET 1 -12.184 -17.924 -8.377 6 2HB MET 1 1HB MET 1 -12.213 -18.273 -6.655 7 1HG MET 1 2HG MET 1 -12.518 -15.917 -6.160 8 2HG MET 1 1HG MET 1 -12.436 -15.532 -7.877 9 1HE MET 1 1HE MET 1 -14.244 -16.333 -9.654 10 2HE MET 1 2HE MET 1 -15.656 -17.306 -9.240 11 3HE MET 1 3HE MET 1 -14.040 -18.001 -9.118 12 H SER 2 H SER 2 -9.843 -18.641 -5.219 13 HA SER 2 HA SER 2 -10.177 -16.495 -3.365 14 1HB SER 2 2HB SER 2 -8.969 -19.228 -2.900 15 2HB SER 2 1HB SER 2 -9.609 -18.136 -1.672 16 HG SER 2 HG SER 2 -11.066 -19.840 -2.342 17 H ILE 3 H ILE 3 -8.649 -14.967 -4.173 18 HA ILE 3 HA ILE 3 -5.948 -15.487 -3.119 19 HB ILE 3 HB ILE 3 -5.073 -13.853 -4.795 20 1HG1 ILE 3 2HG1 ILE 3 -7.809 -14.211 -6.033 21 2HG1 ILE 3 1HG1 ILE 3 -7.161 -12.725 -5.357 22 1HG2 ILE 3 1HG2 ILE 3 -4.786 -16.241 -5.093 23 2HG2 ILE 3 2HG2 ILE 3 -5.011 -15.440 -6.647 24 3HG2 ILE 3 3HG2 ILE 3 -6.340 -16.341 -5.920 25 1HD1 ILE 3 1HD1 ILE 3 -6.105 -14.165 -7.779 26 2HD1 ILE 3 2HD1 ILE 3 -5.448 -12.679 -7.095 27 3HD1 ILE 3 3HD1 ILE 3 -7.074 -12.692 -7.776 28 H GLU 4 H GLU 4 -7.970 -14.512 -1.541 29 HA GLU 4 HA GLU 4 -8.345 -11.762 -1.467 30 1HB GLU 4 2HB GLU 4 -8.268 -13.817 0.725 31 2HB GLU 4 1HB GLU 4 -8.613 -12.124 1.047 32 1HG GLU 4 2HG GLU 4 -10.570 -12.193 -0.310 33 2HG GLU 4 1HG GLU 4 -10.176 -13.817 -0.871 34 H VAL 5 H VAL 5 -6.953 -10.206 -1.342 35 HA VAL 5 HA VAL 5 -4.324 -10.666 -0.155 36 HB VAL 5 HB VAL 5 -5.188 -8.130 -1.528 37 1HG1 VAL 5 1HG1 VAL 5 -2.800 -7.935 -2.011 38 2HG1 VAL 5 2HG1 VAL 5 -2.511 -9.468 -1.186 39 3HG1 VAL 5 3HG1 VAL 5 -3.101 -8.074 -0.277 40 1HG2 VAL 5 1HG2 VAL 5 -3.841 -10.382 -2.984 41 2HG2 VAL 5 2HG2 VAL 5 -4.626 -8.939 -3.646 42 3HG2 VAL 5 3HG2 VAL 5 -5.599 -10.232 -2.940 43 H ARG 6 H ARG 6 -3.949 -10.061 1.872 44 HA ARG 6 HA ARG 6 -5.411 -7.735 2.928 45 1HB ARG 6 2HB ARG 6 -4.555 -10.019 4.702 46 2HB ARG 6 1HB ARG 6 -5.665 -8.711 5.072 47 1HG ARG 6 2HG ARG 6 -7.177 -10.377 4.766 48 2HG ARG 6 1HG ARG 6 -7.040 -9.827 3.095 49 1HD ARG 6 2HD ARG 6 -5.453 -11.557 2.592 50 2HD ARG 6 1HD ARG 6 -5.395 -12.051 4.281 51 HE ARG 6 HE ARG 6 -8.007 -12.232 3.062 52 1HH1 ARG 6 1HH1 ARG 6 -4.990 -13.844 3.757 53 2HH1 ARG 6 2HH1 ARG 6 -5.629 -15.446 3.523 54 1HH2 ARG 6 1HH2 ARG 6 -8.882 -14.336 2.759 55 2HH2 ARG 6 2HH2 ARG 6 -7.851 -15.725 2.975 56 H ASP 7 H ASP 7 -4.238 -6.507 4.533 57 HA ASP 7 HA ASP 7 -1.442 -6.320 3.814 58 1HB ASP 7 2HB ASP 7 -1.451 -4.258 5.000 59 2HB ASP 7 1HB ASP 7 -2.999 -4.348 4.173 60 H CYS 8 H CYS 8 -0.180 -5.511 6.089 61 HA CYS 8 HA CYS 8 0.456 -7.957 7.340 62 1HB CYS 8 2HB CYS 8 1.846 -6.602 8.851 63 2HB CYS 8 1HB CYS 8 2.063 -6.119 7.172 64 HG CYS 8 HG CYS 8 0.519 -3.822 7.364 65 H ASN 9 H ASN 9 -1.878 -5.508 8.051 66 HA ASN 9 HA ASN 9 -2.278 -6.209 10.805 67 1HB ASN 9 2HB ASN 9 -2.907 -4.021 9.410 68 2HB ASN 9 1HB ASN 9 -4.416 -4.889 9.210 69 1HD2 ASN 9 1HD2 ASN 9 -5.515 -3.328 10.412 70 2HD2 ASN 9 2HD2 ASN 9 -5.393 -3.265 12.144 71 H GLY 10 H GLY 10 -3.773 -6.946 7.721 72 1HA GLY 10 2HA GLY 10 -4.686 -9.231 7.495 73 2HA GLY 10 1HA GLY 10 -5.412 -8.990 9.079 74 H ALA 11 H ALA 11 -5.403 -6.194 7.195 75 HA ALA 11 HA ALA 11 -8.290 -6.364 6.888 76 1HB ALA 11 1HB ALA 11 -8.183 -4.014 6.328 77 2HB ALA 11 2HB ALA 11 -6.425 -4.087 6.233 78 3HB ALA 11 3HB ALA 11 -7.232 -4.317 7.783 79 H LEU 12 H LEU 12 -9.323 -6.665 5.019 80 HA LEU 12 HA LEU 12 -7.889 -7.656 2.784 81 1HB LEU 12 2HB LEU 12 -10.770 -7.097 3.363 82 2HB LEU 12 1HB LEU 12 -10.265 -7.487 1.729 83 HG LEU 12 HG LEU 12 -9.576 -9.289 4.039 84 1HD1 LEU 12 1HD1 LEU 12 -12.007 -9.002 4.050 85 2HD1 LEU 12 2HD1 LEU 12 -11.563 -10.611 3.479 86 3HD1 LEU 12 3HD1 LEU 12 -12.065 -9.374 2.326 87 1HD2 LEU 12 1HD2 LEU 12 -8.377 -9.567 1.910 88 2HD2 LEU 12 2HD2 LEU 12 -9.920 -9.777 1.080 89 3HD2 LEU 12 3HD2 LEU 12 -9.399 -10.954 2.286 90 H LEU 13 H LEU 13 -7.235 -6.720 1.001 91 HA LEU 13 HA LEU 13 -7.645 -3.846 0.693 92 1HB LEU 13 2HB LEU 13 -5.665 -5.779 -0.510 93 2HB LEU 13 1HB LEU 13 -5.803 -4.108 -1.021 94 HG LEU 13 HG LEU 13 -5.150 -4.943 1.804 95 1HD1 LEU 13 1HD1 LEU 13 -2.847 -4.324 1.275 96 2HD1 LEU 13 2HD1 LEU 13 -3.301 -4.048 -0.406 97 3HD1 LEU 13 3HD1 LEU 13 -3.388 -5.672 0.275 98 1HD2 LEU 13 1HD2 LEU 13 -4.462 -2.608 2.035 99 2HD2 LEU 13 2HD2 LEU 13 -6.163 -2.731 1.586 100 3HD2 LEU 13 3HD2 LEU 13 -4.960 -2.291 0.371 101 H ALA 14 H ALA 14 -7.552 -3.252 -1.790 102 HA ALA 14 HA ALA 14 -9.022 -5.093 -3.450 103 1HB ALA 14 1HB ALA 14 -10.927 -3.649 -3.801 104 2HB ALA 14 2HB ALA 14 -10.274 -2.474 -2.657 105 3HB ALA 14 3HB ALA 14 -10.780 -4.068 -2.092 106 H ASP 15 H ASP 15 -9.705 -3.767 -5.533 107 HA ASP 15 HA ASP 15 -7.223 -2.761 -6.583 108 1HB ASP 15 2HB ASP 15 -9.011 -4.283 -7.724 109 2HB ASP 15 1HB ASP 15 -9.838 -2.766 -8.058 110 H GLY 16 H GLY 16 -6.663 -0.713 -6.255 111 1HA GLY 16 2HA GLY 16 -6.945 1.621 -6.638 112 2HA GLY 16 1HA GLY 16 -8.689 1.394 -6.567 113 H ASP 17 H ASP 17 -6.551 -0.054 -4.242 114 HA ASP 17 HA ASP 17 -7.848 1.514 -2.132 115 1HB ASP 17 2HB ASP 17 -7.714 -1.097 -2.223 116 2HB ASP 17 1HB ASP 17 -6.078 -0.860 -1.628 117 H ASN 18 H ASN 18 -6.261 1.696 -0.105 118 HA ASN 18 HA ASN 18 -3.662 2.667 -1.062 119 1HB ASN 18 2HB ASN 18 -3.952 4.483 0.795 120 2HB ASN 18 1HB ASN 18 -4.657 4.736 -0.794 121 1HD2 ASN 18 1HD2 ASN 18 -6.835 4.710 -1.036 122 2HD2 ASN 18 2HD2 ASN 18 -7.941 4.751 0.294 123 H VAL 19 H VAL 19 -1.978 2.191 0.146 124 HA VAL 19 HA VAL 19 -2.439 1.036 2.818 125 HB VAL 19 HB VAL 19 -0.541 -0.487 2.457 126 1HG1 VAL 19 1HG1 VAL 19 -2.788 -1.302 2.021 127 2HG1 VAL 19 2HG1 VAL 19 -1.637 -2.034 0.904 128 3HG1 VAL 19 3HG1 VAL 19 -2.689 -0.729 0.354 129 1HG2 VAL 19 1HG2 VAL 19 -0.578 0.562 -0.370 130 2HG2 VAL 19 2HG2 VAL 19 0.357 -0.823 0.192 131 3HG2 VAL 19 3HG2 VAL 19 0.707 0.788 0.817 132 H SER 20 H SER 20 -0.092 0.907 3.932 133 HA SER 20 HA SER 20 1.610 3.127 3.238 134 1HB SER 20 2HB SER 20 0.046 3.125 5.809 135 2HB SER 20 1HB SER 20 1.420 4.180 5.503 136 HG SER 20 HG SER 20 -0.521 4.197 3.548 137 H LEU 21 H LEU 21 3.629 3.104 4.284 138 HA LEU 21 HA LEU 21 4.650 0.539 4.903 139 1HB LEU 21 2HB LEU 21 5.713 3.334 4.998 140 2HB LEU 21 1HB LEU 21 6.636 2.049 5.744 141 HG LEU 21 HG LEU 21 7.376 2.622 3.444 142 1HD1 LEU 21 1HD1 LEU 21 7.990 0.508 4.252 143 2HD1 LEU 21 2HD1 LEU 21 7.374 0.240 2.621 144 3HD1 LEU 21 3HD1 LEU 21 6.368 -0.144 4.020 145 1HD2 LEU 21 1HD2 LEU 21 6.043 1.867 1.540 146 2HD2 LEU 21 2HD2 LEU 21 5.219 3.137 2.446 147 3HD2 LEU 21 3HD2 LEU 21 4.717 1.456 2.630 148 H ILE 22 H ILE 22 4.844 -0.538 6.812 149 HA ILE 22 HA ILE 22 3.887 0.828 9.228 150 HB ILE 22 HB ILE 22 3.835 -1.347 10.293 151 1HG1 ILE 22 2HG1 ILE 22 4.934 -2.477 7.710 152 2HG1 ILE 22 1HG1 ILE 22 5.871 -2.266 9.185 153 1HG2 ILE 22 1HG2 ILE 22 1.933 -0.679 8.924 154 2HG2 ILE 22 2HG2 ILE 22 2.154 -2.428 8.902 155 3HG2 ILE 22 3HG2 ILE 22 2.663 -1.459 7.521 156 1HD1 ILE 22 1HD1 ILE 22 5.142 -4.566 8.915 157 2HD1 ILE 22 2HD1 ILE 22 3.459 -4.038 8.870 158 3HD1 ILE 22 3HD1 ILE 22 4.409 -3.833 10.342 159 H LYS 23 H LYS 23 6.752 0.233 7.712 160 HA LYS 23 HA LYS 23 8.298 1.132 9.949 161 1HB LYS 23 2HB LYS 23 9.981 -0.830 9.483 162 2HB LYS 23 1HB LYS 23 8.639 -1.079 10.588 163 1HG LYS 23 2HG LYS 23 7.653 -2.586 9.248 164 2HG LYS 23 1HG LYS 23 8.101 -1.728 7.777 165 1HD LYS 23 2HD LYS 23 9.261 -3.826 7.797 166 2HD LYS 23 1HD LYS 23 10.442 -2.549 8.101 167 1HE LYS 23 2HE LYS 23 10.229 -3.017 10.533 168 2HE LYS 23 1HE LYS 23 9.168 -4.364 10.132 169 1HZ LYS 23 1HZ LYS 23 12.013 -4.089 9.324 170 2HZ LYS 23 2HZ LYS 23 10.989 -5.363 8.875 171 3HZ LYS 23 3HZ LYS 23 11.398 -5.143 10.506 172 H ASP 24 H ASP 24 10.784 1.023 9.045 173 HA ASP 24 HA ASP 24 10.598 2.460 6.515 174 1HB ASP 24 2HB ASP 24 13.136 2.049 8.068 175 2HB ASP 24 1HB ASP 24 12.723 3.356 6.975 176 H LEU 25 H LEU 25 10.641 1.235 4.762 177 HA LEU 25 HA LEU 25 12.534 -1.024 4.673 178 1HB LEU 25 2HB LEU 25 9.953 -0.599 3.170 179 2HB LEU 25 1HB LEU 25 11.109 -1.840 2.753 180 HG LEU 25 HG LEU 25 9.373 -2.887 3.951 181 1HD1 LEU 25 1HD1 LEU 25 11.730 -2.468 5.773 182 2HD1 LEU 25 2HD1 LEU 25 11.518 -3.746 4.574 183 3HD1 LEU 25 3HD1 LEU 25 10.488 -3.700 6.009 184 1HD2 LEU 25 1HD2 LEU 25 9.683 -0.717 5.990 185 2HD2 LEU 25 2HD2 LEU 25 8.768 -2.200 6.250 186 3HD2 LEU 25 3HD2 LEU 25 8.279 -1.080 4.987 187 H LYS 26 H LYS 26 14.330 -0.306 3.699 188 HA LYS 26 HA LYS 26 14.331 1.432 1.438 189 1HB LYS 26 2HB LYS 26 16.333 0.943 2.859 190 2HB LYS 26 1HB LYS 26 16.343 -0.681 2.211 191 1HG LYS 26 2HG LYS 26 16.535 0.434 -0.087 192 2HG LYS 26 1HG LYS 26 16.978 1.882 0.819 193 1HD LYS 26 2HD LYS 26 18.368 -0.792 0.982 194 2HD LYS 26 1HD LYS 26 18.949 0.611 0.087 195 1HE LYS 26 2HE LYS 26 18.464 0.565 3.065 196 2HE LYS 26 1HE LYS 26 20.034 0.302 2.310 197 1HZ LYS 26 1HZ LYS 26 20.048 2.503 1.471 198 2HZ LYS 26 2HZ LYS 26 19.604 2.614 3.108 199 3HZ LYS 26 3HZ LYS 26 18.431 2.759 1.904 200 H LEU 27 H LEU 27 14.304 0.870 -0.758 201 HA LEU 27 HA LEU 27 12.533 -1.045 -1.571 202 1HB LEU 27 2HB LEU 27 13.412 0.871 -2.907 203 2HB LEU 27 1HB LEU 27 14.869 -0.044 -3.199 204 HG LEU 27 HG LEU 27 12.205 -1.147 -4.040 205 1HD1 LEU 27 1HD1 LEU 27 12.340 1.128 -4.949 206 2HD1 LEU 27 2HD1 LEU 27 12.495 -0.088 -6.217 207 3HD1 LEU 27 3HD1 LEU 27 13.926 0.759 -5.628 208 1HD2 LEU 27 1HD2 LEU 27 15.009 -1.449 -5.118 209 2HD2 LEU 27 2HD2 LEU 27 13.570 -2.264 -5.735 210 3HD2 LEU 27 3HD2 LEU 27 14.160 -2.619 -4.110 211 H LYS 28 H LYS 28 15.958 -1.452 -2.429 212 HA LYS 28 HA LYS 28 16.236 -3.935 -1.052 213 1HB LYS 28 2HB LYS 28 15.852 -3.963 -4.037 214 2HB LYS 28 1HB LYS 28 16.938 -5.124 -3.291 215 1HG LYS 28 2HG LYS 28 15.114 -5.983 -1.932 216 2HG LYS 28 1HG LYS 28 14.019 -4.788 -2.625 217 1HD LYS 28 2HD LYS 28 14.402 -5.785 -4.855 218 2HD LYS 28 1HD LYS 28 15.414 -7.021 -4.102 219 1HE LYS 28 2HE LYS 28 13.515 -7.764 -2.756 220 2HE LYS 28 1HE LYS 28 12.503 -6.518 -3.484 221 1HZ LYS 28 1HZ LYS 28 12.862 -7.590 -5.650 222 2HZ LYS 28 2HZ LYS 28 12.099 -8.622 -4.541 223 3HZ LYS 28 3HZ LYS 28 13.744 -8.826 -4.889 224 H GLY 29 H GLY 29 17.933 -3.575 -4.040 225 1HA GLY 29 2HA GLY 29 20.255 -2.469 -2.622 226 2HA GLY 29 1HA GLY 29 20.277 -3.217 -4.218 227 H SER 30 H SER 30 18.637 -0.520 -2.594 228 HA SER 30 HA SER 30 19.190 1.184 -4.906 229 1HB SER 30 2HB SER 30 17.030 0.289 -5.441 230 2HB SER 30 1HB SER 30 16.454 0.524 -3.792 231 HG SER 30 HG SER 30 17.138 2.567 -5.653 232 H SER 31 H SER 31 18.898 3.452 -4.458 233 HA SER 31 HA SER 31 19.523 4.097 -1.701 234 1HB SER 31 2HB SER 31 19.369 5.870 -4.152 235 2HB SER 31 1HB SER 31 20.019 6.336 -2.580 236 HG SER 31 HG SER 31 21.652 4.803 -2.840 237 H THR 32 H THR 32 16.739 3.423 -3.016 238 HA THR 32 HA THR 32 15.240 5.685 -1.937 239 HB THR 32 HB THR 32 14.225 3.220 -3.378 240 HG1 THR 32 1HG THR 32 15.090 4.320 -5.007 241 1HG2 THR 32 1HG2 THR 32 12.831 5.797 -2.631 242 2HG2 THR 32 2HG2 THR 32 12.521 4.205 -1.938 243 3HG2 THR 32 3HG2 THR 32 12.146 4.518 -3.633 244 H VAL 33 H VAL 33 15.088 5.606 0.210 245 HA VAL 33 HA VAL 33 14.454 3.039 1.525 246 HB VAL 33 HB VAL 33 15.158 5.682 2.830 247 1HG1 VAL 33 1HG1 VAL 33 15.150 2.871 3.927 248 2HG1 VAL 33 2HG1 VAL 33 13.931 4.104 4.249 249 3HG1 VAL 33 3HG1 VAL 33 15.587 4.336 4.809 250 1HG2 VAL 33 1HG2 VAL 33 17.034 4.994 1.484 251 2HG2 VAL 33 2HG2 VAL 33 16.951 3.361 2.145 252 3HG2 VAL 33 3HG2 VAL 33 17.399 4.712 3.187 253 H LEU 34 H LEU 34 12.311 2.699 1.670 254 HA LEU 34 HA LEU 34 10.471 4.937 1.674 255 1HB LEU 34 2HB LEU 34 10.057 1.949 1.584 256 2HB LEU 34 1HB LEU 34 8.748 3.117 1.587 257 HG LEU 34 HG LEU 34 10.795 3.564 -0.462 258 1HD1 LEU 34 1HD1 LEU 34 9.951 1.841 -1.957 259 2HD1 LEU 34 2HD1 LEU 34 8.931 1.208 -0.663 260 3HD1 LEU 34 3HD1 LEU 34 10.689 1.130 -0.523 261 1HD2 LEU 34 1HD2 LEU 34 8.777 4.917 -0.260 262 2HD2 LEU 34 2HD2 LEU 34 7.789 3.478 -0.518 263 3HD2 LEU 34 3HD2 LEU 34 8.838 4.071 -1.807 264 H LYS 35 H LYS 35 10.415 5.926 3.541 265 HA LYS 35 HA LYS 35 10.914 4.723 6.056 266 1HB LYS 35 2HB LYS 35 9.973 7.415 5.138 267 2HB LYS 35 1HB LYS 35 9.938 7.016 6.844 268 1HG LYS 35 2HG LYS 35 12.428 6.734 5.197 269 2HG LYS 35 1HG LYS 35 11.981 8.251 5.981 270 1HD LYS 35 2HD LYS 35 12.386 5.599 7.360 271 2HD LYS 35 1HD LYS 35 13.532 6.940 7.353 272 1HE LYS 35 2HE LYS 35 12.036 8.325 8.597 273 2HE LYS 35 1HE LYS 35 10.717 7.170 8.409 274 1HZ LYS 35 1HZ LYS 35 13.215 6.707 9.946 275 2HZ LYS 35 2HZ LYS 35 11.947 5.593 9.751 276 3HZ LYS 35 3HZ LYS 35 11.683 7.036 10.605 277 H ARG 36 H ARG 36 9.523 4.771 7.890 278 HA ARG 36 HA ARG 36 7.070 3.478 7.581 279 1HB ARG 36 2HB ARG 36 8.545 3.534 9.622 280 2HB ARG 36 1HB ARG 36 7.936 5.148 9.940 281 1HG ARG 36 2HG ARG 36 5.714 4.319 10.256 282 2HG ARG 36 1HG ARG 36 6.203 2.699 9.747 283 1HD ARG 36 2HD ARG 36 7.769 2.624 11.649 284 2HD ARG 36 1HD ARG 36 7.155 4.186 12.186 285 HE ARG 36 HE ARG 36 5.441 1.798 11.964 286 1HH1 ARG 36 1HH1 ARG 36 6.620 4.570 13.750 287 2HH1 ARG 36 2HH1 ARG 36 5.516 4.346 15.069 288 1HH2 ARG 36 1HH2 ARG 36 4.008 1.484 13.720 289 2HH2 ARG 36 2HH2 ARG 36 4.024 2.602 15.052 290 H GLY 37 H GLY 37 4.995 4.157 7.434 291 1HA GLY 37 2HA GLY 37 3.207 5.663 7.613 292 2HA GLY 37 1HA GLY 37 4.354 6.961 7.902 293 H THR 38 H THR 38 5.627 5.466 5.318 294 HA THR 38 HA THR 38 4.783 7.386 3.434 295 HB THR 38 HB THR 38 6.039 4.671 2.929 296 HG1 THR 38 1HG THR 38 7.544 5.795 4.021 297 1HG2 THR 38 1HG2 THR 38 5.845 7.095 1.130 298 2HG2 THR 38 2HG2 THR 38 4.994 5.567 0.905 299 3HG2 THR 38 3HG2 THR 38 6.753 5.624 0.778 300 H MET 39 H MET 39 2.795 7.554 2.631 301 HA MET 39 HA MET 39 1.036 5.274 2.640 302 1HB MET 39 2HB MET 39 0.040 7.324 3.335 303 2HB MET 39 1HB MET 39 0.606 8.163 1.896 304 1HG MET 39 2HG MET 39 -0.913 6.992 0.506 305 2HG MET 39 1HG MET 39 -1.321 5.861 1.795 306 1HE MET 39 1HE MET 39 -1.764 7.537 4.313 307 2HE MET 39 2HE MET 39 -2.915 6.332 3.735 308 3HE MET 39 3HE MET 39 -3.477 7.939 4.199 309 H ILE 40 H ILE 40 1.033 3.889 1.090 310 HA ILE 40 HA ILE 40 1.569 4.766 -1.662 311 HB ILE 40 HB ILE 40 1.281 1.942 -0.607 312 1HG1 ILE 40 2HG1 ILE 40 3.753 3.561 -1.267 313 2HG1 ILE 40 1HG1 ILE 40 3.266 3.004 0.330 314 1HG2 ILE 40 1HG2 ILE 40 0.719 2.150 -2.970 315 2HG2 ILE 40 2HG2 ILE 40 2.238 1.280 -2.763 316 3HG2 ILE 40 3HG2 ILE 40 2.250 2.967 -3.275 317 1HD1 ILE 40 1HD1 ILE 40 3.572 0.688 -0.398 318 2HD1 ILE 40 2HD1 ILE 40 5.051 1.638 -0.554 319 3HD1 ILE 40 3HD1 ILE 40 4.086 1.267 -1.984 320 H ARG 41 H ARG 41 -0.369 5.773 -2.126 321 HA ARG 41 HA ARG 41 -2.802 4.180 -1.811 322 1HB ARG 41 2HB ARG 41 -3.865 6.494 -2.500 323 2HB ARG 41 1HB ARG 41 -3.349 6.177 -0.854 324 1HG ARG 41 2HG ARG 41 -2.599 8.342 -1.357 325 2HG ARG 41 1HG ARG 41 -1.173 7.309 -1.434 326 1HD ARG 41 2HD ARG 41 -1.405 7.220 -3.889 327 2HD ARG 41 1HD ARG 41 -2.777 8.323 -3.778 328 HE ARG 41 HE ARG 41 -0.797 9.661 -2.500 329 1HH1 ARG 41 1HH1 ARG 41 -1.014 8.131 -5.640 330 2HH1 ARG 41 2HH1 ARG 41 0.092 9.235 -6.403 331 1HH2 ARG 41 1HH2 ARG 41 0.651 11.107 -3.468 332 2HH2 ARG 41 2HH2 ARG 41 1.034 10.957 -5.163 333 H GLY 42 H GLY 42 -4.036 3.545 -3.478 334 1HA GLY 42 2HA GLY 42 -4.692 3.502 -5.769 335 2HA GLY 42 1HA GLY 42 -3.167 4.273 -6.187 336 H ILE 43 H ILE 43 -3.885 1.439 -4.175 337 HA ILE 43 HA ILE 43 -1.912 -0.063 -5.724 338 HB ILE 43 HB ILE 43 -1.789 -1.620 -3.917 339 1HG1 ILE 43 2HG1 ILE 43 -3.267 -0.872 -1.791 340 2HG1 ILE 43 1HG1 ILE 43 -4.369 -0.412 -3.082 341 1HG2 ILE 43 1HG2 ILE 43 -0.562 0.460 -3.620 342 2HG2 ILE 43 2HG2 ILE 43 -1.088 -0.194 -2.070 343 3HG2 ILE 43 3HG2 ILE 43 -1.947 1.168 -2.790 344 1HD1 ILE 43 1HD1 ILE 43 -4.309 -2.698 -3.941 345 2HD1 ILE 43 2HD1 ILE 43 -4.849 -2.642 -2.261 346 3HD1 ILE 43 3HD1 ILE 43 -3.204 -3.151 -2.644 347 H ARG 44 H ARG 44 -2.392 -2.071 -6.592 348 HA ARG 44 HA ARG 44 -5.257 -2.683 -6.826 349 1HB ARG 44 2HB ARG 44 -4.665 -3.496 -9.187 350 2HB ARG 44 1HB ARG 44 -4.741 -1.758 -8.930 351 1HG ARG 44 2HG ARG 44 -2.754 -1.680 -9.918 352 2HG ARG 44 1HG ARG 44 -2.114 -2.328 -8.409 353 1HD ARG 44 2HD ARG 44 -1.268 -3.643 -10.228 354 2HD ARG 44 1HD ARG 44 -2.427 -4.616 -9.325 355 HE ARG 44 HE ARG 44 -4.050 -4.057 -11.124 356 1HH1 ARG 44 1HH1 ARG 44 -0.598 -3.879 -11.797 357 2HH1 ARG 44 2HH1 ARG 44 -0.794 -4.209 -13.493 358 1HH2 ARG 44 1HH2 ARG 44 -4.287 -4.468 -13.364 359 2HH2 ARG 44 2HH2 ARG 44 -2.875 -4.536 -14.373 360 H LEU 45 H LEU 45 -5.826 -4.815 -6.824 361 HA LEU 45 HA LEU 45 -4.019 -6.603 -5.526 362 1HB LEU 45 2HB LEU 45 -6.676 -7.261 -6.801 363 2HB LEU 45 1HB LEU 45 -5.815 -8.229 -5.622 364 HG LEU 45 HG LEU 45 -7.111 -5.557 -5.135 365 1HD1 LEU 45 1HD1 LEU 45 -8.709 -7.360 -5.353 366 2HD1 LEU 45 2HD1 LEU 45 -8.601 -6.844 -3.670 367 3HD1 LEU 45 3HD1 LEU 45 -7.804 -8.328 -4.191 368 1HD2 LEU 45 1HD2 LEU 45 -5.077 -5.791 -3.803 369 2HD2 LEU 45 2HD2 LEU 45 -5.660 -7.342 -3.193 370 3HD2 LEU 45 3HD2 LEU 45 -6.528 -5.853 -2.801 371 H THR 46 H THR 46 -2.773 -8.147 -6.391 372 HA THR 46 HA THR 46 -2.707 -8.345 -9.308 373 HB THR 46 HB THR 46 -0.508 -9.403 -9.004 374 HG1 THR 46 1HG THR 46 -0.853 -8.904 -6.208 375 1HG2 THR 46 1HG2 THR 46 -0.813 -6.829 -7.451 376 2HG2 THR 46 2HG2 THR 46 -0.585 -6.978 -9.193 377 3HG2 THR 46 3HG2 THR 46 0.703 -7.462 -8.092 378 H ASP 47 H ASP 47 -1.647 -10.801 -9.726 379 HA ASP 47 HA ASP 47 -3.767 -12.616 -8.955 380 1HB ASP 47 2HB ASP 47 -2.744 -14.202 -10.453 381 2HB ASP 47 1HB ASP 47 -2.756 -12.633 -11.248 382 H SER 48 H SER 48 -1.316 -11.440 -7.330 383 HA SER 48 HA SER 48 -0.716 -13.905 -5.870 384 1HB SER 48 2HB SER 48 0.678 -11.222 -5.989 385 2HB SER 48 1HB SER 48 1.136 -12.520 -4.896 386 HG SER 48 HG SER 48 1.185 -13.785 -7.017 387 H GLU 49 H GLU 49 -0.949 -13.866 -3.561 388 HA GLU 49 HA GLU 49 -3.037 -11.972 -2.741 389 1HB GLU 49 2HB GLU 49 -3.022 -13.938 -0.816 390 2HB GLU 49 1HB GLU 49 -4.121 -13.819 -2.175 391 1HG GLU 49 2HG GLU 49 -3.244 -16.051 -2.028 392 2HG GLU 49 1HG GLU 49 -2.638 -15.273 -3.487 393 H ASP 50 H ASP 50 0.207 -12.774 -2.139 394 HA ASP 50 HA ASP 50 0.144 -11.315 0.414 395 1HB ASP 50 2HB ASP 50 2.287 -13.017 -0.862 396 2HB ASP 50 1HB ASP 50 2.594 -11.998 0.539 397 H GLU 51 H GLU 51 0.500 -10.740 -2.808 398 HA GLU 51 HA GLU 51 2.261 -8.434 -2.328 399 1HB GLU 51 2HB GLU 51 2.271 -10.360 -4.612 400 2HB GLU 51 1HB GLU 51 2.743 -8.701 -4.887 401 1HG GLU 51 2HG GLU 51 4.738 -9.860 -4.542 402 2HG GLU 51 1HG GLU 51 4.432 -9.009 -3.032 403 H ILE 52 H ILE 52 1.807 -6.574 -3.387 404 HA ILE 52 HA ILE 52 -0.564 -6.493 -5.109 405 HB ILE 52 HB ILE 52 -1.210 -4.310 -4.115 406 1HG1 ILE 52 2HG1 ILE 52 0.545 -4.996 -1.771 407 2HG1 ILE 52 1HG1 ILE 52 1.145 -4.012 -3.101 408 1HG2 ILE 52 1HG2 ILE 52 -2.270 -5.203 -2.100 409 2HG2 ILE 52 2HG2 ILE 52 -1.219 -6.618 -2.180 410 3HG2 ILE 52 3HG2 ILE 52 -2.398 -6.321 -3.459 411 1HD1 ILE 52 1HD1 ILE 52 -1.233 -3.379 -1.378 412 2HD1 ILE 52 2HD1 ILE 52 -0.619 -2.393 -2.707 413 3HD1 ILE 52 3HD1 ILE 52 0.366 -2.641 -1.264 414 H GLU 53 H GLU 53 -0.614 -4.292 -6.234 415 HA GLU 53 HA GLU 53 2.106 -3.247 -6.637 416 1HB GLU 53 2HB GLU 53 1.319 -4.551 -8.558 417 2HB GLU 53 1HB GLU 53 -0.113 -3.552 -8.636 418 1HG GLU 53 2HG GLU 53 1.599 -1.599 -8.870 419 2HG GLU 53 1HG GLU 53 2.684 -2.889 -9.389 420 H GLY 54 H GLY 54 2.243 -1.134 -6.098 421 1HA GLY 54 2HA GLY 54 -0.280 0.401 -6.119 422 2HA GLY 54 1HA GLY 54 0.804 0.449 -4.742 423 H ARG 55 H ARG 55 0.556 2.789 -5.285 424 HA ARG 55 HA ARG 55 2.859 3.577 -6.865 425 1HB ARG 55 2HB ARG 55 1.602 5.284 -8.093 426 2HB ARG 55 1HB ARG 55 1.048 3.661 -8.474 427 1HG ARG 55 2HG ARG 55 -0.773 4.092 -6.714 428 2HG ARG 55 1HG ARG 55 -0.327 5.792 -6.895 429 1HD ARG 55 2HD ARG 55 -2.149 5.309 -8.385 430 2HD ARG 55 1HD ARG 55 -0.683 5.572 -9.333 431 HE ARG 55 HE ARG 55 -1.087 2.813 -8.721 432 1HH1 ARG 55 1HH1 ARG 55 -2.144 5.362 -10.891 433 2HH1 ARG 55 2HH1 ARG 55 -2.545 4.256 -12.177 434 1HH2 ARG 55 1HH2 ARG 55 -1.600 1.377 -10.397 435 2HH2 ARG 55 2HH2 ARG 55 -2.242 1.990 -11.892 436 H THR 56 H THR 56 3.731 5.505 -6.239 437 HA THR 56 HA THR 56 2.655 6.655 -3.748 438 HB THR 56 HB THR 56 4.949 7.059 -3.012 439 HG1 THR 56 1HG THR 56 5.766 5.654 -5.355 440 1HG2 THR 56 1HG2 THR 56 3.984 4.886 -2.421 441 2HG2 THR 56 2HG2 THR 56 5.725 4.758 -2.686 442 3HG2 THR 56 3HG2 THR 56 4.602 4.201 -3.926 443 H ASP 57 H ASP 57 4.207 8.827 -3.462 444 HA ASP 57 HA ASP 57 3.284 10.658 -5.400 445 1HB ASP 57 2HB ASP 57 3.803 11.268 -3.054 446 2HB ASP 57 1HB ASP 57 5.511 10.993 -3.374 447 H LYS 58 H LYS 58 6.150 8.727 -5.133 448 HA LYS 58 HA LYS 58 7.309 10.085 -7.470 449 1HB LYS 58 2HB LYS 58 8.684 10.078 -5.372 450 2HB LYS 58 1HB LYS 58 8.728 8.327 -5.465 451 1HG LYS 58 2HG LYS 58 9.914 8.420 -7.557 452 2HG LYS 58 1HG LYS 58 9.779 10.179 -7.583 453 1HD LYS 58 2HD LYS 58 11.127 10.317 -5.551 454 2HD LYS 58 1HD LYS 58 11.242 8.556 -5.503 455 1HE LYS 58 2HE LYS 58 12.446 8.543 -7.600 456 2HE LYS 58 1HE LYS 58 12.251 10.287 -7.757 457 1HZ LYS 58 1HZ LYS 58 14.443 9.737 -6.941 458 2HZ LYS 58 2HZ LYS 58 13.783 8.890 -5.626 459 3HZ LYS 58 3HZ LYS 58 13.573 10.570 -5.751 460 H ILE 59 H ILE 59 7.337 6.867 -5.953 461 HA ILE 59 HA ILE 59 7.853 5.607 -8.515 462 HB ILE 59 HB ILE 59 7.327 4.145 -5.939 463 1HG1 ILE 59 2HG1 ILE 59 8.988 5.880 -5.420 464 2HG1 ILE 59 1HG1 ILE 59 9.732 4.283 -5.424 465 1HG2 ILE 59 1HG2 ILE 59 7.455 2.809 -7.949 466 2HG2 ILE 59 2HG2 ILE 59 8.865 2.506 -6.931 467 3HG2 ILE 59 3HG2 ILE 59 9.013 3.531 -8.358 468 1HD1 ILE 59 1HD1 ILE 59 9.899 6.335 -7.616 469 2HD1 ILE 59 2HD1 ILE 59 10.625 4.728 -7.661 470 3HD1 ILE 59 3HD1 ILE 59 11.173 5.910 -6.473 471 H LYS 60 H LYS 60 6.094 5.369 -9.799 472 HA LYS 60 HA LYS 60 3.614 4.423 -8.543 473 1HB LYS 60 2HB LYS 60 2.488 5.095 -10.630 474 2HB LYS 60 1HB LYS 60 3.320 6.445 -9.868 475 1HG LYS 60 2HG LYS 60 4.967 6.516 -11.493 476 2HG LYS 60 1HG LYS 60 4.657 4.857 -12.010 477 1HD LYS 60 2HD LYS 60 2.744 7.161 -12.392 478 2HD LYS 60 1HD LYS 60 3.857 6.567 -13.629 479 1HE LYS 60 2HE LYS 60 2.783 4.361 -13.515 480 2HE LYS 60 1HE LYS 60 1.667 4.973 -12.297 481 1HZ LYS 60 1HZ LYS 60 0.779 6.517 -13.906 482 2HZ LYS 60 2HZ LYS 60 0.692 4.940 -14.522 483 3HZ LYS 60 3HZ LYS 60 1.894 6.003 -15.076 484 H GLY 61 H GLY 61 2.728 2.502 -9.103 485 1HA GLY 61 2HA GLY 61 2.411 0.517 -10.207 486 2HA GLY 61 1HA GLY 61 3.464 1.101 -11.484 487 H LEU 62 H LEU 62 4.150 0.637 -8.027 488 HA LEU 62 HA LEU 62 6.235 -1.250 -8.861 489 1HB LEU 62 2HB LEU 62 7.555 -0.639 -7.048 490 2HB LEU 62 1HB LEU 62 6.877 0.882 -7.586 491 HG LEU 62 HG LEU 62 5.770 -0.689 -5.267 492 1HD1 LEU 62 1HD1 LEU 62 6.961 0.919 -3.841 493 2HD1 LEU 62 2HD1 LEU 62 7.736 1.602 -5.271 494 3HD1 LEU 62 3HD1 LEU 62 8.074 -0.062 -4.796 495 1HD2 LEU 62 1HD2 LEU 62 4.192 0.880 -6.228 496 2HD2 LEU 62 2HD2 LEU 62 5.398 2.164 -6.181 497 3HD2 LEU 62 3HD2 LEU 62 4.768 1.491 -4.677 498 H VAL 63 H VAL 63 6.173 -3.276 -8.194 499 HA VAL 63 HA VAL 63 3.787 -4.145 -6.765 500 HB VAL 63 HB VAL 63 5.935 -5.844 -8.058 501 1HG1 VAL 63 1HG1 VAL 63 4.671 -7.066 -6.396 502 2HG1 VAL 63 2HG1 VAL 63 4.208 -7.605 -8.009 503 3HG1 VAL 63 3HG1 VAL 63 3.153 -6.517 -7.107 504 1HG2 VAL 63 1HG2 VAL 63 3.275 -4.955 -9.168 505 2HG2 VAL 63 2HG2 VAL 63 4.375 -6.108 -9.928 506 3HG2 VAL 63 3HG2 VAL 63 4.864 -4.426 -9.720 507 H LEU 64 H LEU 64 3.807 -4.554 -4.681 508 HA LEU 64 HA LEU 64 6.340 -5.348 -3.414 509 1HB LEU 64 2HB LEU 64 4.575 -3.050 -2.648 510 2HB LEU 64 1HB LEU 64 5.520 -3.883 -1.432 511 HG LEU 64 HG LEU 64 6.733 -2.645 -3.896 512 1HD1 LEU 64 1HD1 LEU 64 5.700 -0.893 -2.585 513 2HD1 LEU 64 2HD1 LEU 64 7.453 -0.831 -2.398 514 3HD1 LEU 64 3HD1 LEU 64 6.454 -1.515 -1.114 515 1HD2 LEU 64 1HD2 LEU 64 8.799 -2.827 -2.518 516 2HD2 LEU 64 2HD2 LEU 64 8.090 -4.384 -2.947 517 3HD2 LEU 64 3HD2 LEU 64 7.868 -3.735 -1.322 518 H ARG 65 H ARG 65 6.188 -6.874 -1.898 519 HA ARG 65 HA ARG 65 3.838 -8.232 -1.257 520 1HB ARG 65 2HB ARG 65 5.189 -8.871 0.869 521 2HB ARG 65 1HB ARG 65 5.766 -9.405 -0.700 522 1HG ARG 65 2HG ARG 65 7.458 -7.771 -0.733 523 2HG ARG 65 1HG ARG 65 6.768 -6.903 0.630 524 1HD ARG 65 2HD ARG 65 8.806 -8.317 1.126 525 2HD ARG 65 1HD ARG 65 7.400 -8.607 2.148 526 HE ARG 65 HE ARG 65 7.132 -10.441 0.166 527 1HH1 ARG 65 1HH1 ARG 65 9.783 -9.631 2.310 528 2HH1 ARG 65 2HH1 ARG 65 10.323 -11.280 2.464 529 1HH2 ARG 65 1HH2 ARG 65 7.832 -12.589 0.357 530 2HH2 ARG 65 2HH2 ARG 65 9.221 -12.966 1.343 531 H THR 66 H THR 66 2.239 -7.866 0.134 532 HA THR 66 HA THR 66 2.173 -5.239 1.371 533 HB THR 66 HB THR 66 0.264 -5.987 0.011 534 HG1 THR 66 1HG THR 66 -0.390 -5.748 2.777 535 1HG2 THR 66 1HG2 THR 66 -0.091 -8.101 2.135 536 2HG2 THR 66 2HG2 THR 66 0.353 -8.375 0.450 537 3HG2 THR 66 3HG2 THR 66 -1.242 -7.739 0.848 538 H GLU 67 H GLU 67 3.885 -7.361 2.463 539 HA GLU 67 HA GLU 67 2.496 -8.306 4.847 540 1HB GLU 67 2HB GLU 67 5.363 -8.821 4.061 541 2HB GLU 67 1HB GLU 67 4.343 -9.775 5.137 542 1HG GLU 67 2HG GLU 67 2.850 -10.139 3.122 543 2HG GLU 67 1HG GLU 67 4.179 -9.518 2.160 544 H PHE 68 H PHE 68 4.331 -5.745 3.841 545 HA PHE 68 HA PHE 68 4.830 -4.959 6.632 546 1HB PHE 68 2HB PHE 68 6.795 -3.666 5.885 547 2HB PHE 68 1HB PHE 68 6.959 -5.391 5.542 548 HD1 PHE 68 1HD PHE 68 7.253 -6.192 3.358 549 HD2 PHE 68 2HD PHE 68 6.304 -2.098 4.002 550 HE1 PHE 68 1HE PHE 68 7.796 -5.701 1.011 551 HE2 PHE 68 2HE PHE 68 6.839 -1.600 1.653 552 HZ PHE 68 HZ PHE 68 7.589 -3.403 0.155 553 H LEU 69 H LEU 69 2.654 -4.561 4.516 554 HA LEU 69 HA LEU 69 2.611 -1.618 4.604 555 1HB LEU 69 2HB LEU 69 1.139 -3.456 2.716 556 2HB LEU 69 1HB LEU 69 1.066 -1.708 2.703 557 HG LEU 69 HG LEU 69 3.579 -3.297 2.167 558 1HD1 LEU 69 1HD1 LEU 69 1.923 -3.710 0.431 559 2HD1 LEU 69 2HD1 LEU 69 3.236 -2.703 -0.180 560 3HD1 LEU 69 3HD1 LEU 69 1.683 -1.974 0.230 561 1HD2 LEU 69 1HD2 LEU 69 2.913 -0.373 1.833 562 2HD2 LEU 69 2HD2 LEU 69 4.400 -1.149 1.285 563 3HD2 LEU 69 3HD2 LEU 69 4.029 -1.071 3.008 564 H LYS 70 H LYS 70 0.713 -0.610 5.198 565 HA LYS 70 HA LYS 70 -1.210 -2.304 6.650 566 1HB LYS 70 2HB LYS 70 0.495 -0.437 7.732 567 2HB LYS 70 1HB LYS 70 -0.976 0.499 7.501 568 1HG LYS 70 2HG LYS 70 -0.797 -2.116 8.982 569 2HG LYS 70 1HG LYS 70 -0.804 -0.524 9.741 570 1HD LYS 70 2HD LYS 70 -3.015 -1.322 7.891 571 2HD LYS 70 1HD LYS 70 -3.016 -1.878 9.559 572 1HE LYS 70 2HE LYS 70 -2.963 0.406 10.357 573 2HE LYS 70 1HE LYS 70 -2.846 1.007 8.703 574 1HZ LYS 70 1HZ LYS 70 -5.112 1.134 9.619 575 2HZ LYS 70 2HZ LYS 70 -5.137 -0.553 9.774 576 3HZ LYS 70 3HZ LYS 70 -5.025 0.157 8.239 577 H LYS 71 H LYS 71 -3.292 -2.081 6.088 578 HA LYS 71 HA LYS 71 -4.041 -0.566 3.830 579 1HB LYS 71 2HB LYS 71 -5.193 -2.630 4.685 580 2HB LYS 71 1HB LYS 71 -5.883 -1.650 5.969 581 1HG LYS 71 2HG LYS 71 -6.293 -0.773 3.161 582 2HG LYS 71 1HG LYS 71 -7.204 -2.161 3.750 583 1HD LYS 71 2HD LYS 71 -8.150 -0.850 5.533 584 2HD LYS 71 1HD LYS 71 -7.123 0.523 5.118 585 1HE LYS 71 2HE LYS 71 -9.197 -0.674 3.289 586 2HE LYS 71 1HE LYS 71 -9.463 0.738 4.312 587 1HZ LYS 71 1HZ LYS 71 -8.909 1.527 2.175 588 2HZ LYS 71 2HZ LYS 71 -7.579 0.481 2.029 589 3HZ LYS 71 3HZ LYS 71 -7.533 1.772 3.133 590 H ALA 72 H ALA 72 -4.527 1.508 3.618 591 HA ALA 72 HA ALA 72 -4.407 3.143 6.036 592 1HB ALA 72 1HB ALA 72 -3.924 4.995 4.518 593 2HB ALA 72 2HB ALA 72 -4.154 3.924 3.134 594 3HB ALA 72 3HB ALA 72 -2.824 3.641 4.259 595 H GLY 73 H GLY 73 -5.611 5.419 5.457 596 1HA GLY 73 2HA GLY 73 -7.645 6.486 5.138 597 2HA GLY 73 1HA GLY 73 -8.292 4.993 4.466 598 H SER 74 H SER 74 -9.038 3.375 5.879 599 HA SER 74 HA SER 74 -9.087 3.885 8.722 600 1HB SER 74 2HB SER 74 -11.662 3.676 7.131 601 2HB SER 74 1HB SER 74 -11.543 3.730 8.892 602 HG SER 74 HG SER 74 -10.174 5.783 7.859 Start of MODEL 10 1 1H MET 1 1HT MET 1 -8.138 -19.959 -1.767 2 2H MET 1 2HT MET 1 -6.663 -19.881 -2.597 3 3H MET 1 3HT MET 1 -7.249 -21.374 -2.055 4 HA MET 1 HA MET 1 -7.593 -21.192 -4.402 5 1HB MET 1 2HB MET 1 -10.146 -20.872 -2.811 6 2HB MET 1 1HB MET 1 -10.078 -21.426 -4.476 7 1HG MET 1 2HG MET 1 -8.756 -23.357 -3.780 8 2HG MET 1 1HG MET 1 -8.830 -22.804 -2.108 9 1HE MET 1 1HE MET 1 -9.759 -25.192 -1.384 10 2HE MET 1 2HE MET 1 -9.696 -25.730 -3.063 11 3HE MET 1 3HE MET 1 -11.170 -25.953 -2.121 12 H SER 2 H SER 2 -9.079 -18.522 -2.607 13 HA SER 2 HA SER 2 -9.488 -16.991 -5.038 14 1HB SER 2 2HB SER 2 -9.789 -16.100 -2.159 15 2HB SER 2 1HB SER 2 -10.480 -15.333 -3.588 16 HG SER 2 HG SER 2 -11.461 -17.351 -2.090 17 H ILE 3 H ILE 3 -8.773 -14.418 -4.170 18 HA ILE 3 HA ILE 3 -5.939 -14.682 -3.501 19 HB ILE 3 HB ILE 3 -5.458 -12.642 -4.880 20 1HG1 ILE 3 2HG1 ILE 3 -8.023 -13.308 -6.329 21 2HG1 ILE 3 1HG1 ILE 3 -7.931 -12.040 -5.110 22 1HG2 ILE 3 1HG2 ILE 3 -4.762 -14.839 -5.584 23 2HG2 ILE 3 2HG2 ILE 3 -5.276 -13.895 -6.984 24 3HG2 ILE 3 3HG2 ILE 3 -6.337 -15.137 -6.318 25 1HD1 ILE 3 1HD1 ILE 3 -6.202 -10.921 -6.444 26 2HD1 ILE 3 2HD1 ILE 3 -7.728 -11.094 -7.315 27 3HD1 ILE 3 3HD1 ILE 3 -6.376 -12.167 -7.681 28 H GLU 4 H GLU 4 -7.149 -14.428 -1.434 29 HA GLU 4 HA GLU 4 -8.186 -11.838 -0.800 30 1HB GLU 4 2HB GLU 4 -7.504 -14.210 0.931 31 2HB GLU 4 1HB GLU 4 -8.259 -12.735 1.527 32 1HG GLU 4 2HG GLU 4 -10.199 -13.091 0.242 33 2HG GLU 4 1HG GLU 4 -9.424 -14.369 -0.693 34 H VAL 5 H VAL 5 -6.535 -10.476 -1.314 35 HA VAL 5 HA VAL 5 -3.997 -10.622 0.043 36 HB VAL 5 HB VAL 5 -5.073 -8.207 -1.400 37 1HG1 VAL 5 1HG1 VAL 5 -2.276 -9.253 -0.981 38 2HG1 VAL 5 2HG1 VAL 5 -3.025 -7.921 -0.102 39 3HG1 VAL 5 3HG1 VAL 5 -2.713 -7.771 -1.831 40 1HG2 VAL 5 1HG2 VAL 5 -5.347 -10.196 -2.840 41 2HG2 VAL 5 2HG2 VAL 5 -3.623 -10.526 -2.665 42 3HG2 VAL 5 3HG2 VAL 5 -4.161 -9.053 -3.469 43 H ARG 6 H ARG 6 -3.718 -9.995 2.068 44 HA ARG 6 HA ARG 6 -5.461 -7.886 3.150 45 1HB ARG 6 2HB ARG 6 -4.453 -10.271 4.692 46 2HB ARG 6 1HB ARG 6 -5.538 -9.026 5.270 47 1HG ARG 6 2HG ARG 6 -7.262 -9.773 3.905 48 2HG ARG 6 1HG ARG 6 -6.208 -10.816 2.968 49 1HD ARG 6 2HD ARG 6 -5.806 -12.134 5.030 50 2HD ARG 6 1HD ARG 6 -6.999 -11.131 5.850 51 HE ARG 6 HE ARG 6 -8.217 -12.179 3.575 52 1HH1 ARG 6 1HH1 ARG 6 -6.853 -13.372 6.571 53 2HH1 ARG 6 2HH1 ARG 6 -7.921 -14.741 6.658 54 1HH2 ARG 6 1HH2 ARG 6 -9.624 -14.014 3.681 55 2HH2 ARG 6 2HH2 ARG 6 -9.492 -15.096 5.035 56 H ASP 7 H ASP 7 -4.486 -6.628 4.892 57 HA ASP 7 HA ASP 7 -1.731 -6.013 4.248 58 1HB ASP 7 2HB ASP 7 -2.033 -4.079 5.690 59 2HB ASP 7 1HB ASP 7 -3.430 -4.232 4.632 60 H CYS 8 H CYS 8 -0.850 -5.081 6.768 61 HA CYS 8 HA CYS 8 0.164 -7.543 7.827 62 1HB CYS 8 2HB CYS 8 1.376 -6.054 9.403 63 2HB CYS 8 1HB CYS 8 1.587 -5.592 7.720 64 HG CYS 8 HG CYS 8 0.426 -3.820 10.239 65 H ASN 9 H ASN 9 -2.724 -6.095 8.234 66 HA ASN 9 HA ASN 9 -3.026 -6.791 11.078 67 1HB ASN 9 2HB ASN 9 -3.762 -4.520 10.086 68 2HB ASN 9 1HB ASN 9 -5.066 -5.419 9.342 69 1HD2 ASN 9 1HD2 ASN 9 -3.740 -4.270 12.335 70 2HD2 ASN 9 2HD2 ASN 9 -5.149 -4.580 13.305 71 H GLY 10 H GLY 10 -4.403 -7.239 7.880 72 1HA GLY 10 2HA GLY 10 -5.207 -9.564 7.395 73 2HA GLY 10 1HA GLY 10 -6.063 -9.443 8.926 74 H ALA 11 H ALA 11 -5.930 -6.481 7.352 75 HA ALA 11 HA ALA 11 -8.742 -6.600 6.663 76 1HB ALA 11 1HB ALA 11 -8.534 -4.233 6.203 77 2HB ALA 11 2HB ALA 11 -6.777 -4.337 6.296 78 3HB ALA 11 3HB ALA 11 -7.753 -4.600 7.741 79 H LEU 12 H LEU 12 -9.573 -6.687 4.633 80 HA LEU 12 HA LEU 12 -7.815 -7.742 2.628 81 1HB LEU 12 2HB LEU 12 -10.772 -7.384 2.869 82 2HB LEU 12 1HB LEU 12 -10.061 -7.774 1.313 83 HG LEU 12 HG LEU 12 -9.481 -9.448 3.745 84 1HD1 LEU 12 1HD1 LEU 12 -11.917 -9.364 3.495 85 2HD1 LEU 12 2HD1 LEU 12 -11.277 -10.947 3.049 86 3HD1 LEU 12 3HD1 LEU 12 -11.760 -9.805 1.794 87 1HD2 LEU 12 1HD2 LEU 12 -8.040 -9.724 1.800 88 2HD2 LEU 12 2HD2 LEU 12 -9.453 -9.998 0.778 89 3HD2 LEU 12 3HD2 LEU 12 -9.044 -11.153 2.048 90 H LEU 13 H LEU 13 -7.090 -6.840 0.848 91 HA LEU 13 HA LEU 13 -7.655 -4.003 0.383 92 1HB LEU 13 2HB LEU 13 -5.422 -5.814 -0.537 93 2HB LEU 13 1HB LEU 13 -5.611 -4.156 -1.073 94 HG LEU 13 HG LEU 13 -5.282 -4.906 1.825 95 1HD1 LEU 13 1HD1 LEU 13 -3.170 -4.052 -0.150 96 2HD1 LEU 13 2HD1 LEU 13 -3.322 -5.652 0.577 97 3HD1 LEU 13 3HD1 LEU 13 -2.943 -4.258 1.587 98 1HD2 LEU 13 1HD2 LEU 13 -4.661 -2.549 2.045 99 2HD2 LEU 13 2HD2 LEU 13 -6.293 -2.734 1.405 100 3HD2 LEU 13 3HD2 LEU 13 -4.966 -2.312 0.323 101 H ALA 14 H ALA 14 -7.761 -3.310 -1.899 102 HA ALA 14 HA ALA 14 -8.497 -5.293 -3.859 103 1HB ALA 14 1HB ALA 14 -10.593 -4.976 -2.608 104 2HB ALA 14 2HB ALA 14 -10.722 -4.428 -4.280 105 3HB ALA 14 3HB ALA 14 -10.535 -3.252 -2.978 106 H ASP 15 H ASP 15 -9.294 -4.043 -5.917 107 HA ASP 15 HA ASP 15 -7.221 -2.359 -6.773 108 1HB ASP 15 2HB ASP 15 -8.631 -3.701 -8.286 109 2HB ASP 15 1HB ASP 15 -10.002 -2.659 -7.929 110 H GLY 16 H GLY 16 -6.819 -0.301 -6.354 111 1HA GLY 16 2HA GLY 16 -7.341 1.995 -6.454 112 2HA GLY 16 1HA GLY 16 -9.040 1.599 -6.244 113 H ASP 17 H ASP 17 -6.875 0.015 -4.114 114 HA ASP 17 HA ASP 17 -7.956 1.612 -1.921 115 1HB ASP 17 2HB ASP 17 -7.730 -1.066 -2.132 116 2HB ASP 17 1HB ASP 17 -6.208 -0.704 -1.323 117 H ASN 18 H ASN 18 -6.293 1.719 0.023 118 HA ASN 18 HA ASN 18 -3.721 2.679 -1.024 119 1HB ASN 18 2HB ASN 18 -4.024 4.448 0.953 120 2HB ASN 18 1HB ASN 18 -4.559 4.775 -0.688 121 1HD2 ASN 18 1HD2 ASN 18 -6.688 4.896 -1.141 122 2HD2 ASN 18 2HD2 ASN 18 -7.925 4.916 0.073 123 H VAL 19 H VAL 19 -2.002 2.176 0.129 124 HA VAL 19 HA VAL 19 -2.401 1.027 2.813 125 HB VAL 19 HB VAL 19 -0.481 -0.475 2.393 126 1HG1 VAL 19 1HG1 VAL 19 -2.740 -0.775 0.419 127 2HG1 VAL 19 2HG1 VAL 19 -2.733 -1.329 2.093 128 3HG1 VAL 19 3HG1 VAL 19 -1.638 -2.057 0.918 129 1HG2 VAL 19 1HG2 VAL 19 0.667 0.789 0.671 130 2HG2 VAL 19 2HG2 VAL 19 -0.676 0.536 -0.444 131 3HG2 VAL 19 3HG2 VAL 19 0.300 -0.834 0.085 132 H SER 20 H SER 20 -0.147 0.975 3.972 133 HA SER 20 HA SER 20 1.603 3.144 3.161 134 1HB SER 20 2HB SER 20 0.115 3.167 5.777 135 2HB SER 20 1HB SER 20 1.482 4.215 5.421 136 HG SER 20 HG SER 20 -0.567 4.189 3.552 137 H LEU 21 H LEU 21 3.624 3.138 4.159 138 HA LEU 21 HA LEU 21 4.716 0.603 4.729 139 1HB LEU 21 2HB LEU 21 5.693 3.423 4.824 140 2HB LEU 21 1HB LEU 21 6.658 2.183 5.594 141 HG LEU 21 HG LEU 21 7.377 2.757 3.280 142 1HD1 LEU 21 1HD1 LEU 21 8.063 0.681 4.188 143 2HD1 LEU 21 2HD1 LEU 21 7.549 0.382 2.527 144 3HD1 LEU 21 3HD1 LEU 21 6.490 -0.052 3.871 145 1HD2 LEU 21 1HD2 LEU 21 5.188 3.133 2.276 146 2HD2 LEU 21 2HD2 LEU 21 4.783 1.431 2.500 147 3HD2 LEU 21 3HD2 LEU 21 6.080 1.891 1.397 148 H ILE 22 H ILE 22 4.856 -0.523 6.592 149 HA ILE 22 HA ILE 22 4.100 0.846 9.075 150 HB ILE 22 HB ILE 22 3.880 -1.336 10.095 151 1HG1 ILE 22 2HG1 ILE 22 4.768 -2.497 7.445 152 2HG1 ILE 22 1HG1 ILE 22 5.774 -2.416 8.888 153 1HG2 ILE 22 1HG2 ILE 22 1.994 -0.467 8.821 154 2HG2 ILE 22 2HG2 ILE 22 2.054 -2.228 8.745 155 3HG2 ILE 22 3HG2 ILE 22 2.596 -1.265 7.370 156 1HD1 ILE 22 1HD1 ILE 22 3.190 -3.935 8.631 157 2HD1 ILE 22 2HD1 ILE 22 4.221 -3.874 10.060 158 3HD1 ILE 22 3HD1 ILE 22 4.813 -4.627 8.578 159 H LYS 23 H LYS 23 6.848 0.074 7.408 160 HA LYS 23 HA LYS 23 8.531 0.458 9.765 161 1HB LYS 23 2HB LYS 23 9.450 -1.500 7.689 162 2HB LYS 23 1HB LYS 23 9.936 -1.360 9.368 163 1HG LYS 23 2HG LYS 23 7.992 -2.477 10.119 164 2HG LYS 23 1HG LYS 23 7.230 -2.361 8.529 165 1HD LYS 23 2HD LYS 23 9.125 -3.757 7.635 166 2HD LYS 23 1HD LYS 23 9.625 -4.021 9.307 167 1HE LYS 23 2HE LYS 23 7.418 -5.003 9.783 168 2HE LYS 23 1HE LYS 23 6.967 -4.766 8.096 169 1HZ LYS 23 1HZ LYS 23 8.720 -6.269 7.430 170 2HZ LYS 23 2HZ LYS 23 7.696 -7.037 8.539 171 3HZ LYS 23 3HZ LYS 23 9.214 -6.468 9.042 172 H ASP 24 H ASP 24 10.902 0.767 8.835 173 HA ASP 24 HA ASP 24 10.741 2.421 6.427 174 1HB ASP 24 2HB ASP 24 13.208 2.025 8.119 175 2HB ASP 24 1HB ASP 24 12.825 3.360 7.045 176 H LEU 25 H LEU 25 10.826 1.158 4.658 177 HA LEU 25 HA LEU 25 12.568 -1.209 4.702 178 1HB LEU 25 2HB LEU 25 10.138 -0.538 3.056 179 2HB LEU 25 1HB LEU 25 11.219 -1.841 2.619 180 HG LEU 25 HG LEU 25 9.315 -2.764 3.724 181 1HD1 LEU 25 1HD1 LEU 25 11.402 -3.866 4.235 182 2HD1 LEU 25 2HD1 LEU 25 10.328 -3.909 5.636 183 3HD1 LEU 25 3HD1 LEU 25 11.676 -2.770 5.591 184 1HD2 LEU 25 1HD2 LEU 25 8.457 -0.912 4.921 185 2HD2 LEU 25 2HD2 LEU 25 9.895 -0.820 5.935 186 3HD2 LEU 25 3HD2 LEU 25 8.794 -2.191 6.084 187 H LYS 26 H LYS 26 14.474 -0.908 3.761 188 HA LYS 26 HA LYS 26 14.726 0.971 1.549 189 1HB LYS 26 2HB LYS 26 16.412 0.803 3.458 190 2HB LYS 26 1HB LYS 26 16.905 -0.723 2.755 191 1HG LYS 26 2HG LYS 26 16.893 1.714 1.050 192 2HG LYS 26 1HG LYS 26 18.200 1.468 2.207 193 1HD LYS 26 2HD LYS 26 17.380 -0.536 0.110 194 2HD LYS 26 1HD LYS 26 18.697 0.625 -0.080 195 1HE LYS 26 2HE LYS 26 19.855 -0.337 1.819 196 2HE LYS 26 1HE LYS 26 18.516 -1.450 2.100 197 1HZ LYS 26 1HZ LYS 26 20.431 -2.436 0.902 198 2HZ LYS 26 2HZ LYS 26 20.118 -1.396 -0.401 199 3HZ LYS 26 3HZ LYS 26 18.966 -2.555 0.060 200 H LEU 27 H LEU 27 15.039 0.368 -0.536 201 HA LEU 27 HA LEU 27 13.950 -2.175 -1.200 202 1HB LEU 27 2HB LEU 27 14.968 0.107 -2.868 203 2HB LEU 27 1HB LEU 27 14.346 -1.367 -3.577 204 HG LEU 27 HG LEU 27 12.827 0.610 -1.884 205 1HD1 LEU 27 1HD1 LEU 27 12.541 -0.269 -4.754 206 2HD1 LEU 27 2HD1 LEU 27 13.135 1.293 -4.188 207 3HD1 LEU 27 3HD1 LEU 27 11.456 0.835 -3.908 208 1HD2 LEU 27 1HD2 LEU 27 10.881 -0.843 -2.220 209 2HD2 LEU 27 2HD2 LEU 27 12.143 -1.652 -1.290 210 3HD2 LEU 27 3HD2 LEU 27 11.916 -2.044 -2.995 211 H LYS 28 H LYS 28 14.844 -3.504 -2.956 212 HA LYS 28 HA LYS 28 17.428 -4.476 -2.127 213 1HB LYS 28 2HB LYS 28 15.628 -6.050 -2.471 214 2HB LYS 28 1HB LYS 28 15.372 -5.466 -4.107 215 1HG LYS 28 2HG LYS 28 17.650 -6.307 -4.682 216 2HG LYS 28 1HG LYS 28 17.717 -7.040 -3.075 217 1HD LYS 28 2HD LYS 28 15.772 -8.383 -3.555 218 2HD LYS 28 1HD LYS 28 15.556 -7.579 -5.109 219 1HE LYS 28 2HE LYS 28 17.809 -8.453 -5.770 220 2HE LYS 28 1HE LYS 28 17.807 -9.400 -4.282 221 1HZ LYS 28 1HZ LYS 28 15.761 -9.590 -6.427 222 2HZ LYS 28 2HZ LYS 28 15.827 -10.540 -5.028 223 3HZ LYS 28 3HZ LYS 28 17.041 -10.681 -6.205 224 H GLY 29 H GLY 29 19.286 -3.911 -3.062 225 1HA GLY 29 2HA GLY 29 20.783 -3.740 -4.847 226 2HA GLY 29 1HA GLY 29 19.424 -3.682 -5.957 227 H SER 30 H SER 30 17.993 -1.622 -5.425 228 HA SER 30 HA SER 30 19.706 0.615 -5.998 229 1HB SER 30 2HB SER 30 16.705 0.562 -5.598 230 2HB SER 30 1HB SER 30 17.642 1.820 -6.406 231 HG SER 30 HG SER 30 16.861 0.543 -8.014 232 H SER 31 H SER 31 19.773 2.582 -4.780 233 HA SER 31 HA SER 31 19.776 2.070 -1.924 234 1HB SER 31 2HB SER 31 21.625 3.266 -3.242 235 2HB SER 31 1HB SER 31 20.537 4.651 -3.300 236 HG SER 31 HG SER 31 22.133 3.819 -1.293 237 H THR 32 H THR 32 17.227 2.185 -3.225 238 HA THR 32 HA THR 32 16.001 4.700 -2.497 239 HB THR 32 HB THR 32 14.720 2.115 -3.412 240 HG1 THR 32 1HG THR 32 16.111 4.056 -4.748 241 1HG2 THR 32 1HG2 THR 32 13.639 4.938 -3.352 242 2HG2 THR 32 2HG2 THR 32 13.162 3.628 -2.272 243 3HG2 THR 32 3HG2 THR 32 12.806 3.520 -3.995 244 H VAL 33 H VAL 33 15.856 5.041 -0.347 245 HA VAL 33 HA VAL 33 15.130 2.803 1.412 246 HB VAL 33 HB VAL 33 15.866 5.573 2.339 247 1HG1 VAL 33 1HG1 VAL 33 16.172 2.855 3.609 248 2HG1 VAL 33 2HG1 VAL 33 14.899 4.024 3.969 249 3HG1 VAL 33 3HG1 VAL 33 16.579 4.403 4.351 250 1HG2 VAL 33 1HG2 VAL 33 18.199 4.868 2.506 251 2HG2 VAL 33 2HG2 VAL 33 17.650 4.861 0.831 252 3HG2 VAL 33 3HG2 VAL 33 17.799 3.343 1.716 253 H LEU 34 H LEU 34 12.954 2.588 1.647 254 HA LEU 34 HA LEU 34 11.280 4.975 1.673 255 1HB LEU 34 2HB LEU 34 10.635 2.040 1.721 256 2HB LEU 34 1HB LEU 34 9.420 3.269 2.012 257 HG LEU 34 HG LEU 34 10.275 4.216 -0.287 258 1HD1 LEU 34 1HD1 LEU 34 10.969 1.293 -0.500 259 2HD1 LEU 34 2HD1 LEU 34 12.106 2.640 -0.548 260 3HD1 LEU 34 3HD1 LEU 34 10.915 2.446 -1.834 261 1HD2 LEU 34 1HD2 LEU 34 8.523 2.935 -1.392 262 2HD2 LEU 34 2HD2 LEU 34 8.019 3.484 0.208 263 3HD2 LEU 34 3HD2 LEU 34 8.494 1.803 -0.039 264 H LYS 35 H LYS 35 10.015 5.569 3.430 265 HA LYS 35 HA LYS 35 11.122 4.628 5.992 266 1HB LYS 35 2HB LYS 35 10.204 7.332 5.059 267 2HB LYS 35 1HB LYS 35 10.272 6.950 6.772 268 1HG LYS 35 2HG LYS 35 12.639 6.582 4.968 269 2HG LYS 35 1HG LYS 35 12.287 8.123 5.757 270 1HD LYS 35 2HD LYS 35 12.716 5.474 7.143 271 2HD LYS 35 1HD LYS 35 13.891 6.787 7.040 272 1HE LYS 35 2HE LYS 35 12.445 8.240 8.312 273 2HE LYS 35 1HE LYS 35 11.165 7.025 8.313 274 1HZ LYS 35 1HZ LYS 35 12.451 7.133 10.402 275 2HZ LYS 35 2HZ LYS 35 13.832 6.621 9.553 276 3HZ LYS 35 3HZ LYS 35 12.478 5.605 9.668 277 H ARG 36 H ARG 36 9.729 4.747 7.835 278 HA ARG 36 HA ARG 36 7.267 3.459 7.474 279 1HB ARG 36 2HB ARG 36 8.778 3.495 9.521 280 2HB ARG 36 1HB ARG 36 8.077 5.061 9.894 281 1HG ARG 36 2HG ARG 36 5.918 4.126 10.197 282 2HG ARG 36 1HG ARG 36 6.437 2.566 9.547 283 1HD ARG 36 2HD ARG 36 8.031 2.372 11.420 284 2HD ARG 36 1HD ARG 36 7.373 3.860 12.105 285 HE ARG 36 HE ARG 36 5.802 1.389 11.718 286 1HH1 ARG 36 1HH1 ARG 36 6.618 4.248 13.577 287 2HH1 ARG 36 2HH1 ARG 36 5.544 3.857 14.885 288 1HH2 ARG 36 1HH2 ARG 36 4.377 0.888 13.441 289 2HH2 ARG 36 2HH2 ARG 36 4.241 1.977 14.786 290 H GLY 37 H GLY 37 5.197 4.175 7.369 291 1HA GLY 37 2HA GLY 37 3.438 5.707 7.549 292 2HA GLY 37 1HA GLY 37 4.604 6.970 7.905 293 H THR 38 H THR 38 5.651 5.295 5.215 294 HA THR 38 HA THR 38 4.897 7.369 3.397 295 HB THR 38 HB THR 38 6.056 4.633 2.794 296 HG1 THR 38 1HG THR 38 7.609 5.652 3.932 297 1HG2 THR 38 1HG2 THR 38 5.017 5.670 0.831 298 2HG2 THR 38 2HG2 THR 38 6.773 5.639 0.674 299 3HG2 THR 38 3HG2 THR 38 5.953 7.140 1.104 300 H MET 39 H MET 39 2.942 7.573 2.508 301 HA MET 39 HA MET 39 1.125 5.311 2.630 302 1HB MET 39 2HB MET 39 0.185 7.352 3.403 303 2HB MET 39 1HB MET 39 0.711 8.219 1.965 304 1HG MET 39 2HG MET 39 -0.878 7.095 0.604 305 2HG MET 39 1HG MET 39 -1.277 5.966 1.897 306 1HE MET 39 1HE MET 39 -3.324 8.051 4.376 307 2HE MET 39 2HE MET 39 -1.673 7.434 4.427 308 3HE MET 39 3HE MET 39 -2.972 6.424 3.793 309 H ILE 40 H ILE 40 1.163 3.914 1.065 310 HA ILE 40 HA ILE 40 1.600 4.819 -1.692 311 HB ILE 40 HB ILE 40 1.292 1.990 -0.660 312 1HG1 ILE 40 2HG1 ILE 40 3.784 3.544 -1.396 313 2HG1 ILE 40 1HG1 ILE 40 3.322 3.037 0.226 314 1HG2 ILE 40 1HG2 ILE 40 2.191 1.337 -2.851 315 2HG2 ILE 40 2HG2 ILE 40 2.193 3.029 -3.346 316 3HG2 ILE 40 3HG2 ILE 40 0.666 2.214 -3.002 317 1HD1 ILE 40 1HD1 ILE 40 3.540 0.699 -0.451 318 2HD1 ILE 40 2HD1 ILE 40 5.042 1.595 -0.676 319 3HD1 ILE 40 3HD1 ILE 40 4.023 1.217 -2.067 320 H ARG 41 H ARG 41 -0.311 5.832 -2.168 321 HA ARG 41 HA ARG 41 -2.781 4.330 -1.721 322 1HB ARG 41 2HB ARG 41 -3.731 6.712 -2.452 323 2HB ARG 41 1HB ARG 41 -3.276 6.339 -0.799 324 1HG ARG 41 2HG ARG 41 -2.355 8.438 -1.209 325 2HG ARG 41 1HG ARG 41 -1.001 7.323 -1.368 326 1HD ARG 41 2HD ARG 41 -1.195 7.396 -3.790 327 2HD ARG 41 1HD ARG 41 -2.603 8.450 -3.662 328 HE ARG 41 HE ARG 41 0.180 9.186 -3.074 329 1HH1 ARG 41 1HH1 ARG 41 -3.171 10.094 -3.448 330 2HH1 ARG 41 2HH1 ARG 41 -2.843 11.796 -3.547 331 1HH2 ARG 41 1HH2 ARG 41 0.640 11.442 -3.192 332 2HH2 ARG 41 2HH2 ARG 41 -0.680 12.561 -3.386 333 H GLY 42 H GLY 42 -4.088 3.693 -3.322 334 1HA GLY 42 2HA GLY 42 -4.873 3.612 -5.559 335 2HA GLY 42 1HA GLY 42 -3.400 4.420 -6.079 336 H ILE 43 H ILE 43 -4.065 1.504 -4.149 337 HA ILE 43 HA ILE 43 -2.112 0.081 -5.812 338 HB ILE 43 HB ILE 43 -1.803 -1.481 -4.031 339 1HG1 ILE 43 2HG1 ILE 43 -3.165 -0.822 -1.806 340 2HG1 ILE 43 1HG1 ILE 43 -4.362 -0.366 -3.010 341 1HG2 ILE 43 1HG2 ILE 43 -2.037 1.208 -2.708 342 2HG2 ILE 43 2HG2 ILE 43 -0.752 0.781 -3.832 343 3HG2 ILE 43 3HG2 ILE 43 -0.916 -0.097 -2.311 344 1HD1 ILE 43 1HD1 ILE 43 -3.116 -3.084 -2.677 345 2HD1 ILE 43 2HD1 ILE 43 -4.278 -2.639 -3.926 346 3HD1 ILE 43 3HD1 ILE 43 -4.756 -2.615 -2.228 347 H ARG 44 H ARG 44 -2.582 -2.187 -6.295 348 HA ARG 44 HA ARG 44 -5.413 -2.900 -6.311 349 1HB ARG 44 2HB ARG 44 -5.201 -3.622 -8.714 350 2HB ARG 44 1HB ARG 44 -5.220 -1.884 -8.451 351 1HG ARG 44 2HG ARG 44 -2.795 -1.813 -8.693 352 2HG ARG 44 1HG ARG 44 -2.768 -3.560 -8.947 353 1HD ARG 44 2HD ARG 44 -4.000 -3.363 -10.970 354 2HD ARG 44 1HD ARG 44 -4.341 -1.661 -10.667 355 HE ARG 44 HE ARG 44 -1.544 -2.490 -10.987 356 1HH1 ARG 44 1HH1 ARG 44 -4.376 -0.888 -12.294 357 2HH1 ARG 44 2HH1 ARG 44 -3.478 -0.009 -13.495 358 1HH2 ARG 44 1HH2 ARG 44 -0.370 -1.367 -12.534 359 2HH2 ARG 44 2HH2 ARG 44 -1.176 -0.264 -13.624 360 H LEU 45 H LEU 45 -5.705 -5.192 -7.046 361 HA LEU 45 HA LEU 45 -3.805 -6.792 -5.572 362 1HB LEU 45 2HB LEU 45 -6.309 -7.652 -7.023 363 2HB LEU 45 1HB LEU 45 -5.404 -8.604 -5.861 364 HG LEU 45 HG LEU 45 -7.036 -6.133 -5.320 365 1HD1 LEU 45 1HD1 LEU 45 -8.324 -7.626 -3.883 366 2HD1 LEU 45 2HD1 LEU 45 -7.298 -8.976 -4.369 367 3HD1 LEU 45 3HD1 LEU 45 -8.324 -8.174 -5.560 368 1HD2 LEU 45 1HD2 LEU 45 -4.967 -6.082 -4.000 369 2HD2 LEU 45 2HD2 LEU 45 -5.352 -7.684 -3.370 370 3HD2 LEU 45 3HD2 LEU 45 -6.401 -6.317 -3.001 371 H THR 46 H THR 46 -2.533 -8.422 -6.395 372 HA THR 46 HA THR 46 -2.093 -8.296 -9.296 373 HB THR 46 HB THR 46 0.149 -9.211 -8.815 374 HG1 THR 46 1HG THR 46 -0.356 -8.824 -6.047 375 1HG2 THR 46 1HG2 THR 46 1.084 -7.248 -7.691 376 2HG2 THR 46 2HG2 THR 46 -0.532 -6.788 -7.151 377 3HG2 THR 46 3HG2 THR 46 -0.143 -6.790 -8.871 378 H ASP 47 H ASP 47 -0.535 -10.735 -9.341 379 HA ASP 47 HA ASP 47 -2.654 -12.704 -9.381 380 1HB ASP 47 2HB ASP 47 -1.068 -14.160 -10.441 381 2HB ASP 47 1HB ASP 47 -0.838 -12.561 -11.139 382 H SER 48 H SER 48 -0.786 -11.438 -7.035 383 HA SER 48 HA SER 48 -0.417 -13.967 -5.584 384 1HB SER 48 2HB SER 48 1.621 -12.583 -5.936 385 2HB SER 48 1HB SER 48 0.837 -11.256 -5.087 386 HG SER 48 HG SER 48 2.286 -12.593 -3.799 387 H GLU 49 H GLU 49 -0.953 -14.036 -3.352 388 HA GLU 49 HA GLU 49 -3.100 -12.215 -2.559 389 1HB GLU 49 2HB GLU 49 -2.056 -14.659 -1.116 390 2HB GLU 49 1HB GLU 49 -3.525 -13.768 -0.751 391 1HG GLU 49 2HG GLU 49 -4.381 -14.404 -2.989 392 2HG GLU 49 1HG GLU 49 -2.969 -15.440 -3.178 393 H ASP 50 H ASP 50 0.219 -12.594 -2.232 394 HA ASP 50 HA ASP 50 0.279 -11.236 0.385 395 1HB ASP 50 2HB ASP 50 1.414 -13.467 0.202 396 2HB ASP 50 1HB ASP 50 2.514 -12.760 -0.973 397 H GLU 51 H GLU 51 0.648 -10.732 -2.889 398 HA GLU 51 HA GLU 51 2.301 -8.344 -2.421 399 1HB GLU 51 2HB GLU 51 2.294 -10.244 -4.724 400 2HB GLU 51 1HB GLU 51 2.751 -8.582 -4.976 401 1HG GLU 51 2HG GLU 51 4.791 -9.543 -4.647 402 2HG GLU 51 1HG GLU 51 4.403 -9.030 -3.009 403 H ILE 52 H ILE 52 1.683 -6.471 -3.335 404 HA ILE 52 HA ILE 52 -0.621 -6.444 -5.143 405 HB ILE 52 HB ILE 52 -1.321 -4.261 -4.051 406 1HG1 ILE 52 2HG1 ILE 52 -0.664 -4.435 -1.464 407 2HG1 ILE 52 1HG1 ILE 52 0.789 -5.152 -2.147 408 1HG2 ILE 52 1HG2 ILE 52 -1.577 -6.789 -2.449 409 2HG2 ILE 52 2HG2 ILE 52 -2.607 -6.283 -3.788 410 3HG2 ILE 52 3HG2 ILE 52 -2.600 -5.363 -2.282 411 1HD1 ILE 52 1HD1 ILE 52 1.119 -3.138 -3.507 412 2HD1 ILE 52 2HD1 ILE 52 1.102 -2.789 -1.778 413 3HD1 ILE 52 3HD1 ILE 52 -0.312 -2.421 -2.767 414 H GLU 53 H GLU 53 -0.730 -4.316 -6.331 415 HA GLU 53 HA GLU 53 1.957 -3.151 -6.616 416 1HB GLU 53 2HB GLU 53 1.282 -4.475 -8.580 417 2HB GLU 53 1HB GLU 53 -0.153 -3.489 -8.740 418 1HG GLU 53 2HG GLU 53 1.329 -1.501 -9.040 419 2HG GLU 53 1HG GLU 53 2.699 -2.610 -9.086 420 H GLY 54 H GLY 54 2.088 -0.985 -6.358 421 1HA GLY 54 2HA GLY 54 -0.433 0.530 -6.336 422 2HA GLY 54 1HA GLY 54 0.588 0.544 -4.908 423 H ARG 55 H ARG 55 0.228 2.920 -5.601 424 HA ARG 55 HA ARG 55 2.682 3.664 -7.013 425 1HB ARG 55 2HB ARG 55 1.530 5.551 -8.085 426 2HB ARG 55 1HB ARG 55 0.903 3.996 -8.610 427 1HG ARG 55 2HG ARG 55 -0.995 4.271 -7.085 428 2HG ARG 55 1HG ARG 55 -0.382 5.862 -6.635 429 1HD ARG 55 2HD ARG 55 -0.655 6.684 -8.858 430 2HD ARG 55 1HD ARG 55 -1.014 5.073 -9.472 431 HE ARG 55 HE ARG 55 -3.067 5.268 -7.957 432 1HH1 ARG 55 1HH1 ARG 55 -1.524 8.027 -9.445 433 2HH1 ARG 55 2HH1 ARG 55 -3.015 8.890 -9.705 434 1HH2 ARG 55 1HH2 ARG 55 -5.032 6.396 -8.267 435 2HH2 ARG 55 2HH2 ARG 55 -5.010 7.967 -9.021 436 H THR 56 H THR 56 3.770 5.286 -6.172 437 HA THR 56 HA THR 56 2.792 6.510 -3.683 438 HB THR 56 HB THR 56 5.099 6.884 -3.064 439 HG1 THR 56 1HG THR 56 5.769 5.841 -5.635 440 1HG2 THR 56 1HG2 THR 56 6.057 4.592 -3.101 441 2HG2 THR 56 2HG2 THR 56 4.783 4.111 -4.223 442 3HG2 THR 56 3HG2 THR 56 4.368 4.624 -2.586 443 H ASP 57 H ASP 57 4.342 8.733 -3.534 444 HA ASP 57 HA ASP 57 3.291 10.431 -5.599 445 1HB ASP 57 2HB ASP 57 5.271 11.050 -3.391 446 2HB ASP 57 1HB ASP 57 4.461 12.242 -4.403 447 H LYS 58 H LYS 58 6.083 8.550 -5.211 448 HA LYS 58 HA LYS 58 7.473 10.009 -7.365 449 1HB LYS 58 2HB LYS 58 8.579 8.166 -5.240 450 2HB LYS 58 1HB LYS 58 9.526 8.814 -6.565 451 1HG LYS 58 2HG LYS 58 9.140 11.078 -5.739 452 2HG LYS 58 1HG LYS 58 8.188 10.421 -4.405 453 1HD LYS 58 2HD LYS 58 10.419 10.858 -3.617 454 2HD LYS 58 1HD LYS 58 10.171 9.114 -3.706 455 1HE LYS 58 2HE LYS 58 11.304 9.118 -5.913 456 2HE LYS 58 1HE LYS 58 11.661 10.829 -5.681 457 1HZ LYS 58 1HZ LYS 58 13.515 9.354 -5.066 458 2HZ LYS 58 2HZ LYS 58 12.553 8.662 -3.855 459 3HZ LYS 58 3HZ LYS 58 12.981 10.298 -3.762 460 H ILE 59 H ILE 59 7.627 6.709 -6.100 461 HA ILE 59 HA ILE 59 7.894 5.572 -8.728 462 HB ILE 59 HB ILE 59 7.272 3.931 -6.293 463 1HG1 ILE 59 2HG1 ILE 59 9.979 3.921 -6.257 464 2HG1 ILE 59 1HG1 ILE 59 9.682 5.592 -6.715 465 1HG2 ILE 59 1HG2 ILE 59 7.437 2.811 -8.438 466 2HG2 ILE 59 2HG2 ILE 59 8.761 2.324 -7.380 467 3HG2 ILE 59 3HG2 ILE 59 9.053 3.477 -8.681 468 1HD1 ILE 59 1HD1 ILE 59 8.619 4.208 -4.265 469 2HD1 ILE 59 2HD1 ILE 59 8.298 5.880 -4.717 470 3HD1 ILE 59 3HD1 ILE 59 9.938 5.376 -4.318 471 H LYS 60 H LYS 60 6.156 5.257 -10.017 472 HA LYS 60 HA LYS 60 3.602 4.618 -8.697 473 1HB LYS 60 2HB LYS 60 2.440 5.492 -10.605 474 2HB LYS 60 1HB LYS 60 3.625 6.690 -10.109 475 1HG LYS 60 2HG LYS 60 5.073 6.102 -11.914 476 2HG LYS 60 1HG LYS 60 4.060 4.720 -12.331 477 1HD LYS 60 2HD LYS 60 3.576 6.451 -13.893 478 2HD LYS 60 1HD LYS 60 2.203 6.337 -12.795 479 1HE LYS 60 2HE LYS 60 2.724 8.655 -13.183 480 2HE LYS 60 1HE LYS 60 3.114 8.243 -11.513 481 1HZ LYS 60 1HZ LYS 60 4.813 9.613 -12.668 482 2HZ LYS 60 2HZ LYS 60 5.118 8.305 -13.703 483 3HZ LYS 60 3HZ LYS 60 5.419 8.158 -12.042 484 H GLY 61 H GLY 61 2.668 2.693 -9.084 485 1HA GLY 61 2HA GLY 61 2.176 0.693 -10.110 486 2HA GLY 61 1HA GLY 61 3.095 1.235 -11.506 487 H LEU 62 H LEU 62 3.934 0.536 -8.102 488 HA LEU 62 HA LEU 62 5.955 -1.328 -9.145 489 1HB LEU 62 2HB LEU 62 7.411 -0.833 -7.382 490 2HB LEU 62 1HB LEU 62 6.817 0.724 -7.908 491 HG LEU 62 HG LEU 62 5.743 -0.739 -5.498 492 1HD1 LEU 62 1HD1 LEU 62 7.117 0.803 -4.177 493 2HD1 LEU 62 2HD1 LEU 62 7.842 1.419 -5.663 494 3HD1 LEU 62 3HD1 LEU 62 8.104 -0.258 -5.182 495 1HD2 LEU 62 1HD2 LEU 62 5.497 2.124 -6.422 496 2HD2 LEU 62 2HD2 LEU 62 4.923 1.501 -4.874 497 3HD2 LEU 62 3HD2 LEU 62 4.207 0.920 -6.376 498 H VAL 63 H VAL 63 6.032 -3.368 -8.313 499 HA VAL 63 HA VAL 63 3.641 -4.164 -6.837 500 HB VAL 63 HB VAL 63 5.725 -5.918 -8.148 501 1HG1 VAL 63 1HG1 VAL 63 2.964 -6.563 -7.118 502 2HG1 VAL 63 2HG1 VAL 63 4.488 -7.048 -6.374 503 3HG1 VAL 63 3HG1 VAL 63 4.038 -7.680 -7.957 504 1HG2 VAL 63 1HG2 VAL 63 4.078 -6.221 -9.941 505 2HG2 VAL 63 2HG2 VAL 63 4.603 -4.542 -9.806 506 3HG2 VAL 63 3HG2 VAL 63 3.032 -5.029 -9.169 507 H LEU 64 H LEU 64 3.738 -4.355 -4.740 508 HA LEU 64 HA LEU 64 6.248 -5.284 -3.516 509 1HB LEU 64 2HB LEU 64 4.590 -2.915 -2.725 510 2HB LEU 64 1HB LEU 64 5.530 -3.783 -1.530 511 HG LEU 64 HG LEU 64 6.760 -2.652 -4.031 512 1HD1 LEU 64 1HD1 LEU 64 7.544 -0.801 -2.629 513 2HD1 LEU 64 2HD1 LEU 64 6.558 -1.400 -1.293 514 3HD1 LEU 64 3HD1 LEU 64 5.787 -0.817 -2.771 515 1HD2 LEU 64 1HD2 LEU 64 7.830 -3.729 -1.424 516 2HD2 LEU 64 2HD2 LEU 64 8.814 -2.849 -2.600 517 3HD2 LEU 64 3HD2 LEU 64 8.069 -4.383 -3.046 518 H ARG 65 H ARG 65 6.086 -6.599 -1.797 519 HA ARG 65 HA ARG 65 3.717 -8.049 -1.344 520 1HB ARG 65 2HB ARG 65 5.030 -8.754 0.785 521 2HB ARG 65 1HB ARG 65 5.629 -9.234 -0.797 522 1HG ARG 65 2HG ARG 65 7.273 -7.515 -0.767 523 2HG ARG 65 1HG ARG 65 6.610 -6.811 0.702 524 1HD ARG 65 2HD ARG 65 8.587 -8.114 1.234 525 2HD ARG 65 1HD ARG 65 7.163 -8.911 1.900 526 HE ARG 65 HE ARG 65 8.793 -9.823 -0.363 527 1HH1 ARG 65 1HH1 ARG 65 6.071 -10.352 1.781 528 2HH1 ARG 65 2HH1 ARG 65 5.843 -12.004 1.312 529 1HH2 ARG 65 1HH2 ARG 65 8.548 -12.025 -0.934 530 2HH2 ARG 65 2HH2 ARG 65 7.285 -12.971 -0.209 531 H THR 66 H THR 66 2.214 -7.928 0.246 532 HA THR 66 HA THR 66 1.963 -5.264 1.414 533 HB THR 66 HB THR 66 0.106 -6.094 0.048 534 HG1 THR 66 1HG THR 66 -0.490 -5.878 2.827 535 1HG2 THR 66 1HG2 THR 66 -1.298 -7.952 0.856 536 2HG2 THR 66 2HG2 THR 66 -0.117 -8.273 2.125 537 3HG2 THR 66 3HG2 THR 66 0.331 -8.480 0.431 538 H GLU 67 H GLU 67 3.738 -7.395 2.528 539 HA GLU 67 HA GLU 67 2.328 -8.137 4.982 540 1HB GLU 67 2HB GLU 67 4.322 -9.548 5.423 541 2HB GLU 67 1HB GLU 67 3.512 -9.926 3.912 542 1HG GLU 67 2HG GLU 67 5.653 -9.963 3.193 543 2HG GLU 67 1HG GLU 67 5.307 -8.256 2.943 544 H PHE 68 H PHE 68 4.279 -5.722 3.816 545 HA PHE 68 HA PHE 68 4.867 -4.862 6.564 546 1HB PHE 68 2HB PHE 68 6.797 -3.629 5.737 547 2HB PHE 68 1HB PHE 68 6.933 -5.335 5.321 548 HD1 PHE 68 1HD PHE 68 6.458 -1.953 4.018 549 HD2 PHE 68 2HD PHE 68 6.870 -6.065 3.029 550 HE1 PHE 68 1HE PHE 68 6.886 -1.342 1.674 551 HE2 PHE 68 2HE PHE 68 7.293 -5.461 0.684 552 HZ PHE 68 HZ PHE 68 7.302 -3.098 0.004 553 H LEU 69 H LEU 69 2.533 -4.535 4.709 554 HA LEU 69 HA LEU 69 2.507 -1.591 4.641 555 1HB LEU 69 2HB LEU 69 1.061 -3.447 2.755 556 2HB LEU 69 1HB LEU 69 0.995 -1.702 2.726 557 HG LEU 69 HG LEU 69 3.502 -3.303 2.209 558 1HD1 LEU 69 1HD1 LEU 69 1.598 -2.003 0.267 559 2HD1 LEU 69 2HD1 LEU 69 1.858 -3.735 0.471 560 3HD1 LEU 69 3HD1 LEU 69 3.159 -2.714 -0.144 561 1HD2 LEU 69 1HD2 LEU 69 3.975 -1.075 3.013 562 2HD2 LEU 69 2HD2 LEU 69 2.840 -0.384 1.854 563 3HD2 LEU 69 3HD2 LEU 69 4.315 -1.166 1.283 564 H LYS 70 H LYS 70 0.702 -0.587 5.265 565 HA LYS 70 HA LYS 70 -1.253 -2.247 6.696 566 1HB LYS 70 2HB LYS 70 0.374 -0.334 7.755 567 2HB LYS 70 1HB LYS 70 -1.044 0.627 7.357 568 1HG LYS 70 2HG LYS 70 -0.874 -1.756 9.167 569 2HG LYS 70 1HG LYS 70 -1.301 -0.096 9.600 570 1HD LYS 70 2HD LYS 70 -3.315 -0.279 8.207 571 2HD LYS 70 1HD LYS 70 -2.891 -1.938 7.821 572 1HE LYS 70 2HE LYS 70 -3.027 -2.465 10.249 573 2HE LYS 70 1HE LYS 70 -3.640 -0.830 10.515 574 1HZ LYS 70 1HZ LYS 70 -5.427 -2.477 10.300 575 2HZ LYS 70 2HZ LYS 70 -4.896 -2.846 8.731 576 3HZ LYS 70 3HZ LYS 70 -5.505 -1.303 9.082 577 H LYS 71 H LYS 71 -3.322 -2.132 6.040 578 HA LYS 71 HA LYS 71 -4.117 -0.580 3.818 579 1HB LYS 71 2HB LYS 71 -5.176 -2.731 4.635 580 2HB LYS 71 1HB LYS 71 -5.921 -1.795 5.921 581 1HG LYS 71 2HG LYS 71 -6.329 -1.067 3.047 582 2HG LYS 71 1HG LYS 71 -7.291 -2.318 3.821 583 1HD LYS 71 2HD LYS 71 -8.069 -0.743 5.482 584 2HD LYS 71 1HD LYS 71 -7.032 0.514 4.806 585 1HE LYS 71 2HE LYS 71 -8.280 0.291 2.662 586 2HE LYS 71 1HE LYS 71 -9.384 -0.817 3.479 587 1HZ LYS 71 1HZ LYS 71 -8.863 1.966 4.355 588 2HZ LYS 71 2HZ LYS 71 -10.037 0.904 4.973 589 3HZ LYS 71 3HZ LYS 71 -10.178 1.504 3.395 590 H ALA 72 H ALA 72 -4.698 1.494 3.718 591 HA ALA 72 HA ALA 72 -4.554 3.039 6.164 592 1HB ALA 72 1HB ALA 72 -4.514 4.986 4.729 593 2HB ALA 72 2HB ALA 72 -4.917 3.992 3.329 594 3HB ALA 72 3HB ALA 72 -3.369 3.778 4.146 595 H GLY 73 H GLY 73 -6.167 4.081 7.166 596 1HA GLY 73 2HA GLY 73 -8.282 4.900 7.602 597 2HA GLY 73 1HA GLY 73 -8.717 4.559 5.933 598 H SER 74 H SER 74 -10.745 3.926 7.143 599 HA SER 74 HA SER 74 -10.567 1.271 8.353 600 1HB SER 74 2HB SER 74 -13.005 1.668 8.863 601 2HB SER 74 1HB SER 74 -11.911 2.846 9.587 602 HG SER 74 HG SER 74 -13.205 3.260 7.102 Start of MODEL 11 1 1H MET 1 1HT MET 1 -11.723 -19.242 -7.628 2 2H MET 1 2HT MET 1 -10.835 -20.107 -8.779 3 3H MET 1 3HT MET 1 -10.777 -18.411 -8.765 4 HA MET 1 HA MET 1 -9.757 -20.217 -6.654 5 1HB MET 1 2HB MET 1 -8.319 -18.452 -8.648 6 2HB MET 1 1HB MET 1 -7.543 -19.255 -7.290 7 1HG MET 1 2HG MET 1 -7.103 -20.562 -9.201 8 2HG MET 1 1HG MET 1 -8.314 -21.432 -8.263 9 1HE MET 1 1HE MET 1 -7.663 -22.160 -11.253 10 2HE MET 1 2HE MET 1 -9.275 -22.339 -11.947 11 3HE MET 1 3HE MET 1 -8.931 -22.977 -10.338 12 H SER 2 H SER 2 -9.422 -19.317 -4.733 13 HA SER 2 HA SER 2 -10.202 -16.528 -4.397 14 1HB SER 2 2HB SER 2 -9.641 -18.653 -2.312 15 2HB SER 2 1HB SER 2 -10.377 -17.075 -2.026 16 HG SER 2 HG SER 2 -11.978 -18.661 -2.186 17 H ILE 3 H ILE 3 -8.720 -14.999 -4.277 18 HA ILE 3 HA ILE 3 -6.092 -15.628 -3.139 19 HB ILE 3 HB ILE 3 -5.112 -13.932 -4.729 20 1HG1 ILE 3 2HG1 ILE 3 -7.720 -14.359 -6.206 21 2HG1 ILE 3 1HG1 ILE 3 -7.237 -12.869 -5.407 22 1HG2 ILE 3 1HG2 ILE 3 -4.907 -15.513 -6.584 23 2HG2 ILE 3 2HG2 ILE 3 -6.266 -16.437 -5.944 24 3HG2 ILE 3 3HG2 ILE 3 -4.769 -16.321 -5.021 25 1HD1 ILE 3 1HD1 ILE 3 -5.374 -12.635 -6.955 26 2HD1 ILE 3 2HD1 ILE 3 -6.912 -12.744 -7.812 27 3HD1 ILE 3 3HD1 ILE 3 -5.838 -14.140 -7.748 28 H GLU 4 H GLU 4 -7.522 -14.842 -1.331 29 HA GLU 4 HA GLU 4 -8.258 -12.116 -1.184 30 1HB GLU 4 2HB GLU 4 -7.924 -14.256 0.897 31 2HB GLU 4 1HB GLU 4 -8.396 -12.611 1.310 32 1HG GLU 4 2HG GLU 4 -10.355 -12.776 -0.060 33 2HG GLU 4 1HG GLU 4 -9.862 -14.369 -0.625 34 H VAL 5 H VAL 5 -6.863 -10.585 -1.340 35 HA VAL 5 HA VAL 5 -4.204 -10.798 -0.188 36 HB VAL 5 HB VAL 5 -5.371 -8.426 -1.643 37 1HG1 VAL 5 1HG1 VAL 5 -2.537 -9.353 -1.211 38 2HG1 VAL 5 2HG1 VAL 5 -3.324 -7.992 -0.412 39 3HG1 VAL 5 3HG1 VAL 5 -3.021 -7.941 -2.150 40 1HG2 VAL 5 1HG2 VAL 5 -4.515 -9.284 -3.707 41 2HG2 VAL 5 2HG2 VAL 5 -5.567 -10.512 -2.998 42 3HG2 VAL 5 3HG2 VAL 5 -3.815 -10.684 -2.891 43 H ARG 6 H ARG 6 -3.855 -10.186 1.838 44 HA ARG 6 HA ARG 6 -5.410 -7.935 2.917 45 1HB ARG 6 2HB ARG 6 -4.604 -10.353 4.525 46 2HB ARG 6 1HB ARG 6 -5.573 -9.000 5.062 47 1HG ARG 6 2HG ARG 6 -7.366 -9.639 3.743 48 2HG ARG 6 1HG ARG 6 -6.409 -10.786 2.820 49 1HD ARG 6 2HD ARG 6 -6.120 -12.139 4.824 50 2HD ARG 6 1HD ARG 6 -7.084 -10.986 5.744 51 HE ARG 6 HE ARG 6 -8.431 -12.087 3.444 52 1HH1 ARG 6 1HH1 ARG 6 -7.696 -12.560 6.837 53 2HH1 ARG 6 2HH1 ARG 6 -9.131 -13.505 7.135 54 1HH2 ARG 6 1HH2 ARG 6 -10.306 -13.366 3.839 55 2HH2 ARG 6 2HH2 ARG 6 -10.589 -13.958 5.452 56 H ASP 7 H ASP 7 -4.322 -6.617 4.422 57 HA ASP 7 HA ASP 7 -1.481 -6.420 3.884 58 1HB ASP 7 2HB ASP 7 -1.612 -4.276 4.887 59 2HB ASP 7 1HB ASP 7 -3.126 -4.471 4.013 60 H CYS 8 H CYS 8 -0.409 -5.412 6.186 61 HA CYS 8 HA CYS 8 0.186 -7.750 7.649 62 1HB CYS 8 2HB CYS 8 1.485 -6.281 9.116 63 2HB CYS 8 1HB CYS 8 1.776 -5.904 7.421 64 HG CYS 8 HG CYS 8 0.179 -3.632 7.395 65 H ASN 9 H ASN 9 -2.242 -5.334 8.001 66 HA ASN 9 HA ASN 9 -2.890 -5.837 10.754 67 1HB ASN 9 2HB ASN 9 -3.463 -3.809 9.152 68 2HB ASN 9 1HB ASN 9 -4.875 -4.775 8.786 69 1HD2 ASN 9 1HD2 ASN 9 -6.248 -3.243 9.679 70 2HD2 ASN 9 2HD2 ASN 9 -6.386 -3.018 11.388 71 H GLY 10 H GLY 10 -3.769 -7.083 7.639 72 1HA GLY 10 2HA GLY 10 -4.666 -9.281 7.367 73 2HA GLY 10 1HA GLY 10 -5.448 -9.106 8.929 74 H ALA 11 H ALA 11 -5.582 -6.345 6.983 75 HA ALA 11 HA ALA 11 -8.453 -6.739 6.638 76 1HB ALA 11 1HB ALA 11 -6.739 -4.295 6.200 77 2HB ALA 11 2HB ALA 11 -7.669 -4.657 7.655 78 3HB ALA 11 3HB ALA 11 -8.500 -4.353 6.129 79 H LEU 12 H LEU 12 -9.448 -6.844 4.689 80 HA LEU 12 HA LEU 12 -7.876 -7.804 2.524 81 1HB LEU 12 2HB LEU 12 -10.793 -7.334 2.971 82 2HB LEU 12 1HB LEU 12 -10.205 -7.687 1.355 83 HG LEU 12 HG LEU 12 -9.547 -9.483 3.676 84 1HD1 LEU 12 1HD1 LEU 12 -11.447 -10.881 3.017 85 2HD1 LEU 12 2HD1 LEU 12 -11.957 -9.646 1.866 86 3HD1 LEU 12 3HD1 LEU 12 -11.981 -9.303 3.596 87 1HD2 LEU 12 1HD2 LEU 12 -9.713 -9.901 0.693 88 2HD2 LEU 12 2HD2 LEU 12 -9.290 -11.131 1.884 89 3HD2 LEU 12 3HD2 LEU 12 -8.236 -9.738 1.643 90 H LEU 13 H LEU 13 -7.397 -6.940 0.604 91 HA LEU 13 HA LEU 13 -7.808 -4.044 0.320 92 1HB LEU 13 2HB LEU 13 -5.688 -5.873 -0.813 93 2HB LEU 13 1HB LEU 13 -5.830 -4.166 -1.198 94 HG LEU 13 HG LEU 13 -5.344 -5.238 1.584 95 1HD1 LEU 13 1HD1 LEU 13 -3.404 -4.063 -0.401 96 2HD1 LEU 13 2HD1 LEU 13 -3.453 -5.741 0.139 97 3HD1 LEU 13 3HD1 LEU 13 -3.045 -4.459 1.280 98 1HD2 LEU 13 1HD2 LEU 13 -4.790 -2.918 2.105 99 2HD2 LEU 13 2HD2 LEU 13 -6.448 -3.056 1.518 100 3HD2 LEU 13 3HD2 LEU 13 -5.182 -2.445 0.451 101 H ALA 14 H ALA 14 -7.589 -3.424 -2.125 102 HA ALA 14 HA ALA 14 -8.647 -5.228 -4.061 103 1HB ALA 14 1HB ALA 14 -10.783 -4.090 -4.442 104 2HB ALA 14 2HB ALA 14 -10.486 -3.059 -3.041 105 3HB ALA 14 3HB ALA 14 -10.712 -4.795 -2.828 106 H ASP 15 H ASP 15 -9.219 -3.924 -6.131 107 HA ASP 15 HA ASP 15 -7.091 -2.155 -6.737 108 1HB ASP 15 2HB ASP 15 -8.118 -3.431 -8.514 109 2HB ASP 15 1HB ASP 15 -9.686 -2.698 -8.194 110 H GLY 16 H GLY 16 -6.856 -0.104 -6.219 111 1HA GLY 16 2HA GLY 16 -7.558 2.166 -6.221 112 2HA GLY 16 1HA GLY 16 -9.223 1.624 -6.054 113 H ASP 17 H ASP 17 -7.136 -0.081 -4.035 114 HA ASP 17 HA ASP 17 -8.201 1.302 -1.708 115 1HB ASP 17 2HB ASP 17 -7.763 -1.335 -2.160 116 2HB ASP 17 1HB ASP 17 -6.276 -0.910 -1.323 117 H ASN 18 H ASN 18 -6.490 1.399 0.198 118 HA ASN 18 HA ASN 18 -3.972 2.469 -0.824 119 1HB ASN 18 2HB ASN 18 -4.305 4.426 0.853 120 2HB ASN 18 1HB ASN 18 -5.059 4.507 -0.732 121 1HD2 ASN 18 1HD2 ASN 18 -7.254 4.257 -0.916 122 2HD2 ASN 18 2HD2 ASN 18 -8.326 4.431 0.435 123 H VAL 19 H VAL 19 -2.281 2.151 0.417 124 HA VAL 19 HA VAL 19 -2.699 1.172 3.158 125 HB VAL 19 HB VAL 19 -0.811 -0.397 2.855 126 1HG1 VAL 19 1HG1 VAL 19 -3.095 -1.211 2.613 127 2HG1 VAL 19 2HG1 VAL 19 -2.003 -2.070 1.526 128 3HG1 VAL 19 3HG1 VAL 19 -3.067 -0.814 0.894 129 1HG2 VAL 19 1HG2 VAL 19 0.027 -0.926 0.637 130 2HG2 VAL 19 2HG2 VAL 19 0.301 0.776 1.002 131 3HG2 VAL 19 3HG2 VAL 19 -1.015 0.307 -0.073 132 H SER 20 H SER 20 -0.414 1.138 4.286 133 HA SER 20 HA SER 20 1.346 3.228 3.349 134 1HB SER 20 2HB SER 20 -0.283 3.472 5.862 135 2HB SER 20 1HB SER 20 1.218 4.372 5.641 136 HG SER 20 HG SER 20 -0.696 4.443 3.607 137 H LEU 21 H LEU 21 3.383 3.242 4.333 138 HA LEU 21 HA LEU 21 4.426 0.693 4.842 139 1HB LEU 21 2HB LEU 21 5.458 3.484 4.975 140 2HB LEU 21 1HB LEU 21 6.425 2.214 5.693 141 HG LEU 21 HG LEU 21 7.118 2.776 3.392 142 1HD1 LEU 21 1HD1 LEU 21 5.981 0.001 3.641 143 2HD1 LEU 21 2HD1 LEU 21 7.487 0.556 4.367 144 3HD1 LEU 21 3HD1 LEU 21 7.322 0.509 2.612 145 1HD2 LEU 21 1HD2 LEU 21 4.939 3.347 2.455 146 2HD2 LEU 21 2HD2 LEU 21 4.429 1.666 2.602 147 3HD2 LEU 21 3HD2 LEU 21 5.737 2.097 1.500 148 H ILE 22 H ILE 22 4.801 -0.472 6.652 149 HA ILE 22 HA ILE 22 4.018 0.708 9.222 150 HB ILE 22 HB ILE 22 4.063 -1.534 10.123 151 1HG1 ILE 22 2HG1 ILE 22 5.021 -2.454 7.404 152 2HG1 ILE 22 1HG1 ILE 22 6.055 -2.297 8.818 153 1HG2 ILE 22 1HG2 ILE 22 2.327 -2.569 8.759 154 2HG2 ILE 22 2HG2 ILE 22 2.724 -1.488 7.424 155 3HG2 ILE 22 3HG2 ILE 22 2.059 -0.835 8.922 156 1HD1 ILE 22 1HD1 ILE 22 3.698 -4.147 8.560 157 2HD1 ILE 22 2HD1 ILE 22 4.750 -3.999 9.968 158 3HD1 ILE 22 3HD1 ILE 22 5.399 -4.600 8.440 159 H LYS 23 H LYS 23 6.761 0.205 7.407 160 HA LYS 23 HA LYS 23 8.533 0.876 9.564 161 1HB LYS 23 2HB LYS 23 10.050 -1.103 9.070 162 2HB LYS 23 1HB LYS 23 8.583 -1.474 9.969 163 1HG LYS 23 2HG LYS 23 7.537 -2.386 8.035 164 2HG LYS 23 1HG LYS 23 8.834 -1.809 6.994 165 1HD LYS 23 2HD LYS 23 9.229 -3.818 9.201 166 2HD LYS 23 1HD LYS 23 8.904 -4.254 7.522 167 1HE LYS 23 2HE LYS 23 10.925 -2.967 6.861 168 2HE LYS 23 1HE LYS 23 11.272 -2.707 8.571 169 1HZ LYS 23 1HZ LYS 23 12.510 -4.582 7.614 170 2HZ LYS 23 2HZ LYS 23 11.046 -5.371 7.274 171 3HZ LYS 23 3HZ LYS 23 11.493 -5.066 8.884 172 H ASP 24 H ASP 24 10.883 0.866 8.603 173 HA ASP 24 HA ASP 24 10.733 2.293 6.079 174 1HB ASP 24 2HB ASP 24 13.290 1.561 7.493 175 2HB ASP 24 1HB ASP 24 13.015 2.875 6.373 176 H LEU 25 H LEU 25 11.086 1.449 4.124 177 HA LEU 25 HA LEU 25 12.520 -1.128 3.911 178 1HB LEU 25 2HB LEU 25 10.049 -0.201 2.454 179 2HB LEU 25 1HB LEU 25 11.094 -1.428 1.777 180 HG LEU 25 HG LEU 25 9.174 -2.451 2.822 181 1HD1 LEU 25 1HD1 LEU 25 10.262 -3.965 4.406 182 2HD1 LEU 25 2HD1 LEU 25 11.669 -2.898 4.439 183 3HD1 LEU 25 3HD1 LEU 25 11.219 -3.716 2.942 184 1HD2 LEU 25 1HD2 LEU 25 10.056 -1.184 5.397 185 2HD2 LEU 25 2HD2 LEU 25 8.685 -2.271 5.162 186 3HD2 LEU 25 3HD2 LEU 25 8.682 -0.672 4.426 187 H LYS 26 H LYS 26 13.820 -1.376 1.988 188 HA LYS 26 HA LYS 26 14.353 1.198 0.660 189 1HB LYS 26 2HB LYS 26 16.376 -0.902 1.421 190 2HB LYS 26 1HB LYS 26 16.719 0.522 0.451 191 1HG LYS 26 2HG LYS 26 17.340 1.377 2.416 192 2HG LYS 26 1HG LYS 26 15.613 1.678 2.607 193 1HD LYS 26 2HD LYS 26 15.370 -0.434 3.808 194 2HD LYS 26 1HD LYS 26 17.095 -0.751 3.612 195 1HE LYS 26 2HE LYS 26 17.516 1.400 4.844 196 2HE LYS 26 1HE LYS 26 15.790 1.448 5.200 197 1HZ LYS 26 1HZ LYS 26 17.705 -0.667 6.015 198 2HZ LYS 26 2HZ LYS 26 16.032 -0.738 6.273 199 3HZ LYS 26 3HZ LYS 26 16.955 0.465 7.029 200 H LEU 27 H LEU 27 15.020 1.182 -1.437 201 HA LEU 27 HA LEU 27 14.451 -1.281 -2.950 202 1HB LEU 27 2HB LEU 27 13.667 1.558 -3.404 203 2HB LEU 27 1HB LEU 27 13.993 0.561 -4.804 204 HG LEU 27 HG LEU 27 11.620 0.606 -4.359 205 1HD1 LEU 27 1HD1 LEU 27 11.197 -1.796 -4.196 206 2HD1 LEU 27 2HD1 LEU 27 12.849 -2.041 -3.625 207 3HD1 LEU 27 3HD1 LEU 27 12.562 -1.438 -5.256 208 1HD2 LEU 27 1HD2 LEU 27 11.652 1.104 -1.982 209 2HD2 LEU 27 2HD2 LEU 27 12.318 -0.493 -1.640 210 3HD2 LEU 27 3HD2 LEU 27 10.686 -0.339 -2.293 211 H LYS 28 H LYS 28 15.715 -1.666 -4.784 212 HA LYS 28 HA LYS 28 17.607 -1.758 -6.036 213 1HB LYS 28 2HB LYS 28 18.034 1.113 -5.190 214 2HB LYS 28 1HB LYS 28 18.839 0.288 -6.514 215 1HG LYS 28 2HG LYS 28 16.810 0.147 -7.761 216 2HG LYS 28 1HG LYS 28 15.868 0.736 -6.387 217 1HD LYS 28 2HD LYS 28 17.051 2.878 -6.503 218 2HD LYS 28 1HD LYS 28 17.985 2.289 -7.878 219 1HE LYS 28 2HE LYS 28 15.950 2.076 -9.192 220 2HE LYS 28 1HE LYS 28 14.985 2.594 -7.810 221 1HZ LYS 28 1HZ LYS 28 15.963 4.744 -7.894 222 2HZ LYS 28 2HZ LYS 28 15.456 4.370 -9.468 223 3HZ LYS 28 3HZ LYS 28 17.098 4.265 -9.059 224 H GLY 29 H GLY 29 17.578 -1.648 -2.824 225 1HA GLY 29 2HA GLY 29 19.392 -2.804 -1.636 226 2HA GLY 29 1HA GLY 29 20.513 -1.821 -2.572 227 H SER 30 H SER 30 20.595 0.465 -2.159 228 HA SER 30 HA SER 30 19.251 1.364 0.280 229 1HB SER 30 2HB SER 30 21.386 2.430 1.055 230 2HB SER 30 1HB SER 30 21.409 0.668 1.094 231 HG SER 30 HG SER 30 22.788 2.453 -0.571 232 H SER 31 H SER 31 19.498 1.830 -2.827 233 HA SER 31 HA SER 31 20.185 4.588 -3.051 234 1HB SER 31 2HB SER 31 18.544 2.878 -4.936 235 2HB SER 31 1HB SER 31 19.310 4.421 -5.323 236 HG SER 31 HG SER 31 21.312 3.226 -4.558 237 H THR 32 H THR 32 16.994 3.065 -3.649 238 HA THR 32 HA THR 32 15.732 5.582 -2.888 239 HB THR 32 HB THR 32 14.451 3.041 -3.909 240 HG1 THR 32 1HG THR 32 15.930 4.944 -5.196 241 1HG2 THR 32 1HG2 THR 32 12.592 4.531 -4.530 242 2HG2 THR 32 2HG2 THR 32 13.441 5.884 -3.783 243 3HG2 THR 32 3HG2 THR 32 12.885 4.538 -2.791 244 H VAL 33 H VAL 33 15.551 5.806 -0.714 245 HA VAL 33 HA VAL 33 14.846 3.414 0.846 246 HB VAL 33 HB VAL 33 16.024 6.019 1.835 247 1HG1 VAL 33 1HG1 VAL 33 15.586 3.395 3.259 248 2HG1 VAL 33 2HG1 VAL 33 14.655 4.872 3.511 249 3HG1 VAL 33 3HG1 VAL 33 16.367 4.824 3.936 250 1HG2 VAL 33 1HG2 VAL 33 17.635 4.829 0.481 251 2HG2 VAL 33 2HG2 VAL 33 17.308 3.332 1.357 252 3HG2 VAL 33 3HG2 VAL 33 18.076 4.688 2.185 253 H LEU 34 H LEU 34 12.836 3.238 1.487 254 HA LEU 34 HA LEU 34 11.207 5.657 1.770 255 1HB LEU 34 2HB LEU 34 10.478 2.767 1.398 256 2HB LEU 34 1HB LEU 34 9.310 3.959 1.936 257 HG LEU 34 HG LEU 34 10.064 5.250 -0.213 258 1HD1 LEU 34 1HD1 LEU 34 10.749 2.408 -0.943 259 2HD1 LEU 34 2HD1 LEU 34 11.886 3.749 -0.806 260 3HD1 LEU 34 3HD1 LEU 34 10.645 3.772 -2.058 261 1HD2 LEU 34 1HD2 LEU 34 7.835 4.397 0.275 262 2HD2 LEU 34 2HD2 LEU 34 8.307 2.810 -0.332 263 3HD2 LEU 34 3HD2 LEU 34 8.256 4.193 -1.425 264 H LYS 35 H LYS 35 10.067 6.039 3.641 265 HA LYS 35 HA LYS 35 11.174 4.645 5.990 266 1HB LYS 35 2HB LYS 35 10.316 7.484 5.533 267 2HB LYS 35 1HB LYS 35 10.370 6.822 7.156 268 1HG LYS 35 2HG LYS 35 12.741 6.696 5.328 269 2HG LYS 35 1HG LYS 35 12.407 8.115 6.326 270 1HD LYS 35 2HD LYS 35 12.862 5.289 7.278 271 2HD LYS 35 1HD LYS 35 13.970 6.650 7.455 272 1HE LYS 35 2HE LYS 35 12.358 7.790 8.890 273 2HE LYS 35 1HE LYS 35 11.217 6.460 8.682 274 1HZ LYS 35 1HZ LYS 35 12.868 4.981 9.708 275 2HZ LYS 35 2HZ LYS 35 12.355 6.213 10.758 276 3HZ LYS 35 3HZ LYS 35 13.871 6.319 10.005 277 H ARG 36 H ARG 36 9.821 4.426 7.812 278 HA ARG 36 HA ARG 36 7.316 3.330 7.384 279 1HB ARG 36 2HB ARG 36 8.654 2.948 9.389 280 2HB ARG 36 1HB ARG 36 8.440 4.626 9.867 281 1HG ARG 36 2HG ARG 36 6.075 4.287 10.159 282 2HG ARG 36 1HG ARG 36 6.217 2.625 9.577 283 1HD ARG 36 2HD ARG 36 7.621 2.052 11.449 284 2HD ARG 36 1HD ARG 36 7.601 3.727 12.013 285 HE ARG 36 HE ARG 36 5.111 2.161 11.816 286 1HH1 ARG 36 1HH1 ARG 36 7.379 4.088 13.648 287 2HH1 ARG 36 2HH1 ARG 36 6.336 4.243 15.033 288 1HH2 ARG 36 1HH2 ARG 36 3.714 2.385 13.616 289 2HH2 ARG 36 2HH2 ARG 36 4.236 3.294 15.002 290 H GLY 37 H GLY 37 5.293 4.123 7.227 291 1HA GLY 37 2HA GLY 37 3.600 5.725 7.751 292 2HA GLY 37 1HA GLY 37 4.854 6.948 7.904 293 H THR 38 H THR 38 5.920 5.566 5.265 294 HA THR 38 HA THR 38 4.957 7.473 3.455 295 HB THR 38 HB THR 38 6.064 4.731 2.778 296 HG1 THR 38 1HG THR 38 7.625 5.779 3.949 297 1HG2 THR 38 1HG2 THR 38 4.968 5.823 0.880 298 2HG2 THR 38 2HG2 THR 38 6.716 5.780 0.655 299 3HG2 THR 38 3HG2 THR 38 5.928 7.277 1.149 300 H MET 39 H MET 39 3.085 7.629 2.369 301 HA MET 39 HA MET 39 1.187 5.460 2.689 302 1HB MET 39 2HB MET 39 0.490 7.771 3.212 303 2HB MET 39 1HB MET 39 0.752 8.212 1.528 304 1HG MET 39 2HG MET 39 -1.030 6.905 0.779 305 2HG MET 39 1HG MET 39 -1.098 5.985 2.283 306 1HE MET 39 1HE MET 39 -4.348 7.421 3.228 307 2HE MET 39 2HE MET 39 -3.146 6.149 3.483 308 3HE MET 39 3HE MET 39 -3.794 6.444 1.866 309 H ILE 40 H ILE 40 0.876 4.014 1.223 310 HA ILE 40 HA ILE 40 1.366 4.714 -1.595 311 HB ILE 40 HB ILE 40 1.350 1.959 -0.336 312 1HG1 ILE 40 2HG1 ILE 40 3.604 3.639 -1.456 313 2HG1 ILE 40 1HG1 ILE 40 3.360 3.212 0.234 314 1HG2 ILE 40 1HG2 ILE 40 1.894 2.786 -3.187 315 2HG2 ILE 40 2HG2 ILE 40 0.471 1.920 -2.608 316 3HG2 ILE 40 3HG2 ILE 40 2.057 1.154 -2.536 317 1HD1 ILE 40 1HD1 ILE 40 5.105 1.860 -0.749 318 2HD1 ILE 40 2HD1 ILE 40 3.998 1.305 -2.006 319 3HD1 ILE 40 3HD1 ILE 40 3.720 0.856 -0.323 320 H ARG 41 H ARG 41 -0.614 5.610 -1.998 321 HA ARG 41 HA ARG 41 -2.977 3.933 -1.515 322 1HB ARG 41 2HB ARG 41 -4.218 6.082 -2.165 323 2HB ARG 41 1HB ARG 41 -3.387 6.061 -0.616 324 1HG ARG 41 2HG ARG 41 -1.826 7.575 -1.261 325 2HG ARG 41 1HG ARG 41 -1.889 7.093 -2.952 326 1HD ARG 41 2HD ARG 41 -3.961 8.699 -1.466 327 2HD ARG 41 1HD ARG 41 -2.815 9.321 -2.654 328 HE ARG 41 HE ARG 41 -4.836 7.307 -3.379 329 1HH1 ARG 41 1HH1 ARG 41 -3.239 10.378 -3.945 330 2HH1 ARG 41 2HH1 ARG 41 -4.166 10.727 -5.380 331 1HH2 ARG 41 1HH2 ARG 41 -6.026 7.754 -5.276 332 2HH2 ARG 41 2HH2 ARG 41 -5.754 9.250 -6.124 333 H GLY 42 H GLY 42 -4.533 3.664 -3.214 334 1HA GLY 42 2HA GLY 42 -5.189 3.434 -5.431 335 2HA GLY 42 1HA GLY 42 -3.735 4.294 -5.923 336 H ILE 43 H ILE 43 -4.153 1.380 -3.953 337 HA ILE 43 HA ILE 43 -2.218 0.022 -5.661 338 HB ILE 43 HB ILE 43 -2.012 -1.648 -3.932 339 1HG1 ILE 43 2HG1 ILE 43 -3.321 -0.989 -1.690 340 2HG1 ILE 43 1HG1 ILE 43 -4.494 -0.401 -2.861 341 1HG2 ILE 43 1HG2 ILE 43 -2.039 1.114 -2.741 342 2HG2 ILE 43 2HG2 ILE 43 -0.714 0.369 -3.636 343 3HG2 ILE 43 3HG2 ILE 43 -1.197 -0.284 -2.072 344 1HD1 ILE 43 1HD1 ILE 43 -5.001 -2.667 -2.133 345 2HD1 ILE 43 2HD1 ILE 43 -3.421 -3.209 -2.701 346 3HD1 ILE 43 3HD1 ILE 43 -4.620 -2.620 -3.853 347 H ARG 44 H ARG 44 -2.649 -2.181 -6.312 348 HA ARG 44 HA ARG 44 -5.478 -2.923 -6.382 349 1HB ARG 44 2HB ARG 44 -5.202 -3.588 -8.791 350 2HB ARG 44 1HB ARG 44 -5.216 -1.855 -8.491 351 1HG ARG 44 2HG ARG 44 -2.792 -1.790 -8.670 352 2HG ARG 44 1HG ARG 44 -2.758 -3.536 -8.950 353 1HD ARG 44 2HD ARG 44 -4.218 -3.162 -10.943 354 2HD ARG 44 1HD ARG 44 -4.020 -1.428 -10.699 355 HE ARG 44 HE ARG 44 -1.487 -2.133 -10.873 356 1HH1 ARG 44 1HH1 ARG 44 -4.206 -3.238 -12.780 357 2HH1 ARG 44 2HH1 ARG 44 -3.251 -3.552 -14.192 358 1HH2 ARG 44 1HH2 ARG 44 -0.223 -2.545 -12.713 359 2HH2 ARG 44 2HH2 ARG 44 -0.978 -3.177 -14.159 360 H LEU 45 H LEU 45 -5.799 -5.197 -6.997 361 HA LEU 45 HA LEU 45 -3.902 -6.793 -5.529 362 1HB LEU 45 2HB LEU 45 -6.381 -7.685 -7.004 363 2HB LEU 45 1HB LEU 45 -5.501 -8.598 -5.793 364 HG LEU 45 HG LEU 45 -7.113 -6.095 -5.342 365 1HD1 LEU 45 1HD1 LEU 45 -8.493 -7.551 -3.944 366 2HD1 LEU 45 2HD1 LEU 45 -7.499 -8.930 -4.414 367 3HD1 LEU 45 3HD1 LEU 45 -8.463 -8.085 -5.625 368 1HD2 LEU 45 1HD2 LEU 45 -5.514 -7.695 -3.360 369 2HD2 LEU 45 2HD2 LEU 45 -6.585 -6.345 -2.983 370 3HD2 LEU 45 3HD2 LEU 45 -5.124 -6.075 -3.934 371 H THR 46 H THR 46 -2.460 -8.204 -6.325 372 HA THR 46 HA THR 46 -2.075 -8.214 -9.220 373 HB THR 46 HB THR 46 0.131 -9.184 -8.735 374 HG1 THR 46 1HG THR 46 -0.467 -8.870 -5.963 375 1HG2 THR 46 1HG2 THR 46 -0.062 -6.762 -8.760 376 2HG2 THR 46 2HG2 THR 46 1.115 -7.268 -7.548 377 3HG2 THR 46 3HG2 THR 46 -0.500 -6.759 -7.051 378 H ASP 47 H ASP 47 -0.640 -10.668 -9.342 379 HA ASP 47 HA ASP 47 -2.818 -12.581 -9.286 380 1HB ASP 47 2HB ASP 47 0.091 -13.010 -10.025 381 2HB ASP 47 1HB ASP 47 -1.245 -14.105 -10.363 382 H SER 48 H SER 48 -0.648 -11.396 -7.130 383 HA SER 48 HA SER 48 -0.261 -13.891 -5.662 384 1HB SER 48 2HB SER 48 1.030 -11.167 -5.476 385 2HB SER 48 1HB SER 48 1.424 -12.516 -4.422 386 HG SER 48 HG SER 48 1.816 -13.672 -6.524 387 H GLU 49 H GLU 49 -0.791 -14.014 -3.445 388 HA GLU 49 HA GLU 49 -3.057 -12.363 -2.658 389 1HB GLU 49 2HB GLU 49 -1.772 -14.512 -0.990 390 2HB GLU 49 1HB GLU 49 -3.434 -13.943 -0.949 391 1HG GLU 49 2HG GLU 49 -3.914 -15.019 -3.031 392 2HG GLU 49 1HG GLU 49 -2.215 -15.457 -3.239 393 H ASP 50 H ASP 50 0.293 -12.738 -2.020 394 HA ASP 50 HA ASP 50 0.154 -11.226 0.476 395 1HB ASP 50 2HB ASP 50 2.448 -12.695 -0.837 396 2HB ASP 50 1HB ASP 50 2.538 -11.875 0.717 397 H GLU 51 H GLU 51 0.473 -10.617 -2.747 398 HA GLU 51 HA GLU 51 2.161 -8.256 -2.282 399 1HB GLU 51 2HB GLU 51 2.196 -10.182 -4.566 400 2HB GLU 51 1HB GLU 51 2.706 -8.534 -4.806 401 1HG GLU 51 2HG GLU 51 4.665 -9.755 -4.444 402 2HG GLU 51 1HG GLU 51 4.358 -8.894 -2.940 403 H ILE 52 H ILE 52 1.571 -6.392 -3.224 404 HA ILE 52 HA ILE 52 -0.718 -6.386 -5.056 405 HB ILE 52 HB ILE 52 -1.432 -4.198 -4.004 406 1HG1 ILE 52 2HG1 ILE 52 -0.772 -4.273 -1.425 407 2HG1 ILE 52 1HG1 ILE 52 0.675 -5.032 -2.067 408 1HG2 ILE 52 1HG2 ILE 52 -1.665 -6.668 -2.306 409 2HG2 ILE 52 2HG2 ILE 52 -2.676 -6.258 -3.690 410 3HG2 ILE 52 3HG2 ILE 52 -2.724 -5.260 -2.236 411 1HD1 ILE 52 1HD1 ILE 52 1.074 -3.087 -3.479 412 2HD1 ILE 52 2HD1 ILE 52 0.982 -2.644 -1.774 413 3HD1 ILE 52 3HD1 ILE 52 -0.385 -2.326 -2.843 414 H GLU 53 H GLU 53 -0.816 -4.258 -6.267 415 HA GLU 53 HA GLU 53 1.889 -3.137 -6.572 416 1HB GLU 53 2HB GLU 53 1.136 -4.479 -8.520 417 2HB GLU 53 1HB GLU 53 -0.238 -3.411 -8.687 418 1HG GLU 53 2HG GLU 53 1.388 -1.518 -8.974 419 2HG GLU 53 1HG GLU 53 2.659 -2.734 -9.071 420 H GLY 54 H GLY 54 2.052 -0.997 -6.257 421 1HA GLY 54 2HA GLY 54 -0.407 0.609 -6.341 422 2HA GLY 54 1HA GLY 54 0.546 0.592 -4.868 423 H ARG 55 H ARG 55 0.783 2.890 -5.135 424 HA ARG 55 HA ARG 55 2.949 3.585 -6.978 425 1HB ARG 55 2HB ARG 55 1.806 5.442 -7.910 426 2HB ARG 55 1HB ARG 55 0.696 4.084 -8.031 427 1HG ARG 55 2HG ARG 55 -0.245 4.969 -5.788 428 2HG ARG 55 1HG ARG 55 0.580 6.464 -6.232 429 1HD ARG 55 2HD ARG 55 -1.626 6.678 -7.034 430 2HD ARG 55 1HD ARG 55 -0.627 6.321 -8.443 431 HE ARG 55 HE ARG 55 -1.648 3.923 -7.368 432 1HH1 ARG 55 1HH1 ARG 55 -2.681 6.750 -9.156 433 2HH1 ARG 55 2HH1 ARG 55 -4.021 5.936 -9.914 434 1HH2 ARG 55 1HH2 ARG 55 -3.393 2.850 -8.347 435 2HH2 ARG 55 2HH2 ARG 55 -4.411 3.699 -9.474 436 H THR 56 H THR 56 4.189 5.320 -6.276 437 HA THR 56 HA THR 56 3.528 6.424 -3.623 438 HB THR 56 HB THR 56 5.886 6.748 -3.213 439 HG1 THR 56 1HG THR 56 6.326 5.702 -5.827 440 1HG2 THR 56 1HG2 THR 56 5.380 4.000 -4.354 441 2HG2 THR 56 2HG2 THR 56 5.189 4.507 -2.673 442 3HG2 THR 56 3HG2 THR 56 6.798 4.433 -3.400 443 H ASP 57 H ASP 57 5.113 8.622 -3.571 444 HA ASP 57 HA ASP 57 3.855 10.395 -5.418 445 1HB ASP 57 2HB ASP 57 6.126 10.806 -3.465 446 2HB ASP 57 1HB ASP 57 5.447 12.100 -4.448 447 H LYS 58 H LYS 58 6.757 8.551 -5.442 448 HA LYS 58 HA LYS 58 7.698 9.969 -7.852 449 1HB LYS 58 2HB LYS 58 9.215 8.327 -5.822 450 2HB LYS 58 1HB LYS 58 9.913 8.877 -7.333 451 1HG LYS 58 2HG LYS 58 9.496 11.210 -6.635 452 2HG LYS 58 1HG LYS 58 8.904 10.602 -5.086 453 1HD LYS 58 2HD LYS 58 11.208 11.251 -4.831 454 2HD LYS 58 1HD LYS 58 11.096 9.493 -4.747 455 1HE LYS 58 2HE LYS 58 11.745 9.375 -7.128 456 2HE LYS 58 1HE LYS 58 11.953 11.125 -7.131 457 1HZ LYS 58 1HZ LYS 58 14.053 9.933 -6.819 458 2HZ LYS 58 2HZ LYS 58 13.451 9.234 -5.398 459 3HZ LYS 58 3HZ LYS 58 13.685 10.909 -5.480 460 H ILE 59 H ILE 59 8.079 6.735 -6.454 461 HA ILE 59 HA ILE 59 8.130 5.468 -9.034 462 HB ILE 59 HB ILE 59 7.754 3.976 -6.444 463 1HG1 ILE 59 2HG1 ILE 59 10.438 3.889 -6.737 464 2HG1 ILE 59 1HG1 ILE 59 10.129 5.524 -7.301 465 1HG2 ILE 59 1HG2 ILE 59 7.621 2.739 -8.545 466 2HG2 ILE 59 2HG2 ILE 59 9.014 2.243 -7.585 467 3HG2 ILE 59 3HG2 ILE 59 9.238 3.300 -8.979 468 1HD1 ILE 59 1HD1 ILE 59 10.683 5.505 -4.947 469 2HD1 ILE 59 2HD1 ILE 59 9.355 4.392 -4.625 470 3HD1 ILE 59 3HD1 ILE 59 9.018 6.030 -5.179 471 H LYS 60 H LYS 60 6.224 5.373 -10.128 472 HA LYS 60 HA LYS 60 3.841 4.596 -8.587 473 1HB LYS 60 2HB LYS 60 2.498 5.498 -10.406 474 2HB LYS 60 1HB LYS 60 3.613 6.718 -9.808 475 1HG LYS 60 2HG LYS 60 5.075 6.352 -11.702 476 2HG LYS 60 1HG LYS 60 4.026 5.054 -12.275 477 1HD LYS 60 2HD LYS 60 3.247 7.957 -11.991 478 2HD LYS 60 1HD LYS 60 3.641 7.142 -13.505 479 1HE LYS 60 2HE LYS 60 1.752 5.597 -13.126 480 2HE LYS 60 1HE LYS 60 1.339 6.495 -11.666 481 1HZ LYS 60 1HZ LYS 60 1.349 7.572 -14.434 482 2HZ LYS 60 2HZ LYS 60 0.997 8.472 -13.039 483 3HZ LYS 60 3HZ LYS 60 -0.023 7.204 -13.508 484 H GLY 61 H GLY 61 2.840 2.715 -8.998 485 1HA GLY 61 2HA GLY 61 2.258 0.776 -10.109 486 2HA GLY 61 1HA GLY 61 3.227 1.301 -11.477 487 H LEU 62 H LEU 62 3.987 0.602 -8.062 488 HA LEU 62 HA LEU 62 5.986 -1.302 -9.062 489 1HB LEU 62 2HB LEU 62 7.432 -0.808 -7.297 490 2HB LEU 62 1HB LEU 62 6.853 0.750 -7.832 491 HG LEU 62 HG LEU 62 5.768 -0.699 -5.419 492 1HD1 LEU 62 1HD1 LEU 62 7.121 0.863 -4.101 493 2HD1 LEU 62 2HD1 LEU 62 7.840 1.487 -5.585 494 3HD1 LEU 62 3HD1 LEU 62 8.127 -0.185 -5.101 495 1HD2 LEU 62 1HD2 LEU 62 4.212 0.925 -6.309 496 2HD2 LEU 62 2HD2 LEU 62 5.481 2.147 -6.384 497 3HD2 LEU 62 3HD2 LEU 62 4.924 1.548 -4.820 498 H VAL 63 H VAL 63 5.998 -3.334 -8.251 499 HA VAL 63 HA VAL 63 3.600 -4.116 -6.783 500 HB VAL 63 HB VAL 63 5.692 -5.898 -8.050 501 1HG1 VAL 63 1HG1 VAL 63 4.008 -7.643 -7.887 502 2HG1 VAL 63 2HG1 VAL 63 2.878 -6.507 -7.150 503 3HG1 VAL 63 3HG1 VAL 63 4.348 -6.969 -6.292 504 1HG2 VAL 63 1HG2 VAL 63 4.661 -4.525 -9.756 505 2HG2 VAL 63 2HG2 VAL 63 3.056 -4.940 -9.157 506 3HG2 VAL 63 3HG2 VAL 63 4.074 -6.182 -9.884 507 H LEU 64 H LEU 64 3.656 -4.463 -4.682 508 HA LEU 64 HA LEU 64 6.174 -5.373 -3.472 509 1HB LEU 64 2HB LEU 64 4.583 -2.961 -2.678 510 2HB LEU 64 1HB LEU 64 5.505 -3.846 -1.482 511 HG LEU 64 HG LEU 64 6.744 -2.757 -3.998 512 1HD1 LEU 64 1HD1 LEU 64 7.611 -0.942 -2.579 513 2HD1 LEU 64 2HD1 LEU 64 6.576 -1.499 -1.263 514 3HD1 LEU 64 3HD1 LEU 64 5.858 -0.887 -2.756 515 1HD2 LEU 64 1HD2 LEU 64 8.807 -2.999 -2.566 516 2HD2 LEU 64 2HD2 LEU 64 8.038 -4.506 -3.059 517 3HD2 LEU 64 3HD2 LEU 64 7.807 -3.899 -1.418 518 H ARG 65 H ARG 65 6.008 -6.769 -1.835 519 HA ARG 65 HA ARG 65 3.633 -8.114 -1.239 520 1HB ARG 65 2HB ARG 65 4.961 -8.825 0.847 521 2HB ARG 65 1HB ARG 65 5.613 -9.258 -0.721 522 1HG ARG 65 2HG ARG 65 7.200 -7.492 -0.621 523 2HG ARG 65 1HG ARG 65 6.478 -6.833 0.838 524 1HD ARG 65 2HD ARG 65 8.400 -8.029 1.535 525 2HD ARG 65 1HD ARG 65 7.023 -9.054 1.937 526 HE ARG 65 HE ARG 65 8.287 -9.576 -0.625 527 1HH1 ARG 65 1HH1 ARG 65 7.921 -10.526 2.740 528 2HH1 ARG 65 2HH1 ARG 65 8.744 -12.039 2.514 529 1HH2 ARG 65 1HH2 ARG 65 9.382 -11.572 -0.885 530 2HH2 ARG 65 2HH2 ARG 65 9.567 -12.627 0.490 531 H THR 66 H THR 66 2.031 -7.730 0.160 532 HA THR 66 HA THR 66 1.977 -5.068 1.328 533 HB THR 66 HB THR 66 0.089 -5.804 -0.064 534 HG1 THR 66 1HG THR 66 -0.551 -5.433 2.691 535 1HG2 THR 66 1HG2 THR 66 0.108 -8.183 0.421 536 2HG2 THR 66 2HG2 THR 66 -1.481 -7.503 0.779 537 3HG2 THR 66 3HG2 THR 66 -0.361 -7.867 2.092 538 H GLU 67 H GLU 67 3.552 -7.327 2.506 539 HA GLU 67 HA GLU 67 2.071 -7.896 4.961 540 1HB GLU 67 2HB GLU 67 4.317 -9.210 5.405 541 2HB GLU 67 1HB GLU 67 3.070 -9.863 4.351 542 1HG GLU 67 2HG GLU 67 4.274 -8.978 2.412 543 2HG GLU 67 1HG GLU 67 5.552 -8.399 3.477 544 H PHE 68 H PHE 68 4.238 -5.657 3.755 545 HA PHE 68 HA PHE 68 4.829 -4.786 6.497 546 1HB PHE 68 2HB PHE 68 6.776 -3.577 5.628 547 2HB PHE 68 1HB PHE 68 6.875 -5.299 5.266 548 HD1 PHE 68 1HD PHE 68 6.055 -2.007 3.765 549 HD2 PHE 68 2HD PHE 68 7.207 -6.044 3.097 550 HE1 PHE 68 1HE PHE 68 6.505 -1.482 1.406 551 HE2 PHE 68 2HE PHE 68 7.651 -5.526 0.733 552 HZ PHE 68 HZ PHE 68 7.301 -3.244 -0.113 553 H LEU 69 H LEU 69 2.522 -4.432 4.577 554 HA LEU 69 HA LEU 69 2.488 -1.488 4.601 555 1HB LEU 69 2HB LEU 69 0.974 -3.317 2.740 556 2HB LEU 69 1HB LEU 69 0.922 -1.571 2.730 557 HG LEU 69 HG LEU 69 3.390 -3.198 2.121 558 1HD1 LEU 69 1HD1 LEU 69 1.675 -3.541 0.423 559 2HD1 LEU 69 2HD1 LEU 69 3.005 -2.567 -0.205 560 3HD1 LEU 69 3HD1 LEU 69 1.485 -1.797 0.253 561 1HD2 LEU 69 1HD2 LEU 69 3.915 -0.997 2.974 562 2HD2 LEU 69 2HD2 LEU 69 2.782 -0.259 1.842 563 3HD2 LEU 69 3HD2 LEU 69 4.234 -1.061 1.239 564 H LYS 70 H LYS 70 0.630 -0.510 5.303 565 HA LYS 70 HA LYS 70 -1.222 -2.267 6.764 566 1HB LYS 70 2HB LYS 70 0.502 -0.428 7.846 567 2HB LYS 70 1HB LYS 70 -0.977 0.512 7.691 568 1HG LYS 70 2HG LYS 70 -0.739 -2.143 9.087 569 2HG LYS 70 1HG LYS 70 -0.768 -0.568 9.885 570 1HD LYS 70 2HD LYS 70 -2.979 -1.321 8.029 571 2HD LYS 70 1HD LYS 70 -2.957 -1.983 9.659 572 1HE LYS 70 2HE LYS 70 -2.922 0.247 10.597 573 2HE LYS 70 1HE LYS 70 -2.834 0.950 8.981 574 1HZ LYS 70 1HZ LYS 70 -5.079 -0.734 9.924 575 2HZ LYS 70 2HZ LYS 70 -5.011 0.171 8.496 576 3HZ LYS 70 3HZ LYS 70 -5.086 0.955 9.998 577 H LYS 71 H LYS 71 -3.281 -2.137 6.170 578 HA LYS 71 HA LYS 71 -4.111 -0.518 4.010 579 1HB LYS 71 2HB LYS 71 -5.196 -2.657 4.601 580 2HB LYS 71 1HB LYS 71 -5.827 -1.923 6.069 581 1HG LYS 71 2HG LYS 71 -6.978 -0.242 4.555 582 2HG LYS 71 1HG LYS 71 -6.568 -1.326 3.225 583 1HD LYS 71 2HD LYS 71 -7.749 -3.151 4.390 584 2HD LYS 71 1HD LYS 71 -8.209 -2.014 5.658 585 1HE LYS 71 2HE LYS 71 -10.061 -2.214 4.183 586 2HE LYS 71 1HE LYS 71 -9.325 -0.638 3.892 587 1HZ LYS 71 1HZ LYS 71 -9.884 -1.760 1.828 588 2HZ LYS 71 2HZ LYS 71 -8.900 -3.070 2.243 589 3HZ LYS 71 3HZ LYS 71 -8.210 -1.546 1.956 590 H ALA 72 H ALA 72 -4.634 1.560 3.966 591 HA ALA 72 HA ALA 72 -4.840 3.045 6.425 592 1HB ALA 72 1HB ALA 72 -3.646 3.992 4.523 593 2HB ALA 72 2HB ALA 72 -5.017 5.009 4.970 594 3HB ALA 72 3HB ALA 72 -5.125 3.954 3.559 595 H GLY 73 H GLY 73 -6.640 3.995 7.277 596 1HA GLY 73 2HA GLY 73 -8.959 4.640 7.186 597 2HA GLY 73 1HA GLY 73 -9.210 3.399 5.962 598 H SER 74 H SER 74 -7.334 2.916 8.859 599 HA SER 74 HA SER 74 -9.421 1.774 10.413 600 1HB SER 74 2HB SER 74 -8.363 -0.568 10.412 601 2HB SER 74 1HB SER 74 -9.336 -0.129 9.009 602 HG SER 74 HG SER 74 -7.410 0.336 7.894 Start of MODEL 12 1 1H MET 1 1HT MET 1 -11.717 -17.974 -7.782 2 2H MET 1 2HT MET 1 -11.810 -17.214 -9.293 3 3H MET 1 3HT MET 1 -12.156 -16.342 -7.882 4 HA MET 1 HA MET 1 -9.522 -17.521 -8.521 5 1HB MET 1 2HB MET 1 -10.569 -14.708 -8.841 6 2HB MET 1 1HB MET 1 -8.853 -15.076 -8.758 7 1HG MET 1 2HG MET 1 -9.035 -16.471 -10.738 8 2HG MET 1 1HG MET 1 -10.770 -16.161 -10.808 9 1HE MET 1 1HE MET 1 -9.359 -14.174 -13.890 10 2HE MET 1 2HE MET 1 -10.446 -15.456 -13.355 11 3HE MET 1 3HE MET 1 -8.701 -15.683 -13.256 12 H SER 2 H SER 2 -8.861 -18.189 -6.592 13 HA SER 2 HA SER 2 -9.629 -16.771 -4.194 14 1HB SER 2 2HB SER 2 -7.871 -19.210 -4.543 15 2HB SER 2 1HB SER 2 -8.513 -18.607 -3.015 16 HG SER 2 HG SER 2 -9.947 -20.128 -3.611 17 H ILE 3 H ILE 3 -8.594 -14.821 -4.220 18 HA ILE 3 HA ILE 3 -5.803 -14.924 -3.454 19 HB ILE 3 HB ILE 3 -5.310 -12.853 -4.847 20 1HG1 ILE 3 2HG1 ILE 3 -7.635 -13.870 -6.489 21 2HG1 ILE 3 1HG1 ILE 3 -7.672 -12.418 -5.495 22 1HG2 ILE 3 1HG2 ILE 3 -4.668 -14.154 -6.820 23 2HG2 ILE 3 2HG2 ILE 3 -5.687 -15.482 -6.267 24 3HG2 ILE 3 3HG2 ILE 3 -4.285 -14.993 -5.318 25 1HD1 ILE 3 1HD1 ILE 3 -5.893 -12.902 -7.873 26 2HD1 ILE 3 2HD1 ILE 3 -5.878 -11.460 -6.856 27 3HD1 ILE 3 3HD1 ILE 3 -7.308 -11.850 -7.812 28 H GLU 4 H GLU 4 -6.991 -14.575 -1.469 29 HA GLU 4 HA GLU 4 -8.189 -11.982 -1.064 30 1HB GLU 4 2HB GLU 4 -7.539 -14.208 0.865 31 2HB GLU 4 1HB GLU 4 -8.288 -12.692 1.337 32 1HG GLU 4 2HG GLU 4 -10.236 -13.138 0.143 33 2HG GLU 4 1HG GLU 4 -9.469 -14.422 -0.786 34 H VAL 5 H VAL 5 -6.777 -10.403 -1.305 35 HA VAL 5 HA VAL 5 -4.154 -10.567 -0.049 36 HB VAL 5 HB VAL 5 -5.241 -8.245 -1.640 37 1HG1 VAL 5 1HG1 VAL 5 -2.440 -9.201 -1.069 38 2HG1 VAL 5 2HG1 VAL 5 -3.234 -7.793 -0.360 39 3HG1 VAL 5 3HG1 VAL 5 -2.866 -7.821 -2.085 40 1HG2 VAL 5 1HG2 VAL 5 -5.438 -10.337 -2.958 41 2HG2 VAL 5 2HG2 VAL 5 -3.706 -10.594 -2.742 42 3HG2 VAL 5 3HG2 VAL 5 -4.284 -9.189 -3.638 43 H ARG 6 H ARG 6 -3.793 -9.749 1.906 44 HA ARG 6 HA ARG 6 -5.492 -7.545 2.849 45 1HB ARG 6 2HB ARG 6 -4.535 -9.729 4.694 46 2HB ARG 6 1HB ARG 6 -5.730 -8.487 5.017 47 1HG ARG 6 2HG ARG 6 -7.192 -10.161 4.659 48 2HG ARG 6 1HG ARG 6 -6.908 -9.785 2.960 49 1HD ARG 6 2HD ARG 6 -5.329 -11.525 2.733 50 2HD ARG 6 1HD ARG 6 -5.227 -11.758 4.475 51 HE ARG 6 HE ARG 6 -7.862 -12.247 3.506 52 1HH1 ARG 6 1HH1 ARG 6 -4.652 -13.622 3.745 53 2HH1 ARG 6 2HH1 ARG 6 -5.212 -15.274 3.683 54 1HH2 ARG 6 1HH2 ARG 6 -8.616 -14.432 3.442 55 2HH2 ARG 6 2HH2 ARG 6 -7.457 -15.725 3.546 56 H ASP 7 H ASP 7 -4.452 -6.348 4.699 57 HA ASP 7 HA ASP 7 -1.683 -5.841 3.986 58 1HB ASP 7 2HB ASP 7 -1.899 -3.851 5.249 59 2HB ASP 7 1HB ASP 7 -3.476 -4.066 4.495 60 H CYS 8 H CYS 8 -0.629 -5.008 6.418 61 HA CYS 8 HA CYS 8 0.300 -7.446 7.510 62 1HB CYS 8 2HB CYS 8 1.425 -6.036 9.174 63 2HB CYS 8 1HB CYS 8 1.623 -5.382 7.551 64 HG CYS 8 HG CYS 8 -0.876 -3.750 8.284 65 H ASN 9 H ASN 9 -2.368 -5.376 8.286 66 HA ASN 9 HA ASN 9 -2.892 -6.406 10.908 67 1HB ASN 9 2HB ASN 9 -3.736 -4.205 9.919 68 2HB ASN 9 1HB ASN 9 -4.880 -5.164 9.008 69 1HD2 ASN 9 1HD2 ASN 9 -6.608 -4.137 10.023 70 2HD2 ASN 9 2HD2 ASN 9 -7.068 -4.519 11.647 71 H GLY 10 H GLY 10 -4.262 -6.907 7.700 72 1HA GLY 10 2HA GLY 10 -4.921 -9.272 7.186 73 2HA GLY 10 1HA GLY 10 -5.725 -9.242 8.752 74 H ALA 11 H ALA 11 -5.831 -6.255 7.184 75 HA ALA 11 HA ALA 11 -8.661 -6.594 6.615 76 1HB ALA 11 1HB ALA 11 -6.908 -4.150 6.364 77 2HB ALA 11 2HB ALA 11 -7.887 -4.570 7.767 78 3HB ALA 11 3HB ALA 11 -8.666 -4.187 6.232 79 H LEU 12 H LEU 12 -9.536 -6.725 4.628 80 HA LEU 12 HA LEU 12 -7.829 -7.619 2.548 81 1HB LEU 12 2HB LEU 12 -10.776 -7.161 2.787 82 2HB LEU 12 1HB LEU 12 -10.064 -7.546 1.232 83 HG LEU 12 HG LEU 12 -9.569 -9.307 3.621 84 1HD1 LEU 12 1HD1 LEU 12 -11.992 -9.107 3.414 85 2HD1 LEU 12 2HD1 LEU 12 -11.448 -10.698 2.881 86 3HD1 LEU 12 3HD1 LEU 12 -11.886 -9.473 1.692 87 1HD2 LEU 12 1HD2 LEU 12 -8.158 -9.629 1.666 88 2HD2 LEU 12 2HD2 LEU 12 -9.584 -9.780 0.640 89 3HD2 LEU 12 3HD2 LEU 12 -9.253 -10.998 1.873 90 H LEU 13 H LEU 13 -7.373 -6.791 0.583 91 HA LEU 13 HA LEU 13 -7.756 -3.887 0.250 92 1HB LEU 13 2HB LEU 13 -5.514 -5.693 -0.669 93 2HB LEU 13 1HB LEU 13 -5.658 -3.998 -1.100 94 HG LEU 13 HG LEU 13 -5.387 -4.983 1.739 95 1HD1 LEU 13 1HD1 LEU 13 -3.275 -3.888 -0.115 96 2HD1 LEU 13 2HD1 LEU 13 -3.387 -5.551 0.465 97 3HD1 LEU 13 3HD1 LEU 13 -3.062 -4.240 1.598 98 1HD2 LEU 13 1HD2 LEU 13 -5.063 -2.236 0.536 99 2HD2 LEU 13 2HD2 LEU 13 -4.885 -2.663 2.241 100 3HD2 LEU 13 3HD2 LEU 13 -6.461 -2.790 1.460 101 H ALA 14 H ALA 14 -7.598 -3.221 -2.112 102 HA ALA 14 HA ALA 14 -8.337 -5.166 -4.106 103 1HB ALA 14 1HB ALA 14 -10.341 -3.068 -3.265 104 2HB ALA 14 2HB ALA 14 -10.506 -4.813 -3.060 105 3HB ALA 14 3HB ALA 14 -10.484 -4.113 -4.679 106 H ASP 15 H ASP 15 -8.871 -3.898 -6.248 107 HA ASP 15 HA ASP 15 -6.776 -2.035 -6.727 108 1HB ASP 15 2HB ASP 15 -7.596 -3.425 -8.543 109 2HB ASP 15 1HB ASP 15 -9.200 -2.710 -8.406 110 H GLY 16 H GLY 16 -6.705 0.004 -6.167 111 1HA GLY 16 2HA GLY 16 -7.597 2.235 -6.275 112 2HA GLY 16 1HA GLY 16 -9.209 1.557 -6.092 113 H ASP 17 H ASP 17 -6.959 0.048 -4.103 114 HA ASP 17 HA ASP 17 -8.118 1.333 -1.756 115 1HB ASP 17 2HB ASP 17 -7.578 -1.277 -2.290 116 2HB ASP 17 1HB ASP 17 -6.122 -0.823 -1.412 117 H ASN 18 H ASN 18 -6.440 1.510 0.158 118 HA ASN 18 HA ASN 18 -3.936 2.639 -0.866 119 1HB ASN 18 2HB ASN 18 -4.199 4.473 0.916 120 2HB ASN 18 1HB ASN 18 -5.108 4.640 -0.576 121 1HD2 ASN 18 1HD2 ASN 18 -6.573 5.997 0.363 122 2HD2 ASN 18 2HD2 ASN 18 -7.786 5.436 1.471 123 H VAL 19 H VAL 19 -2.189 2.534 0.461 124 HA VAL 19 HA VAL 19 -2.498 1.288 3.091 125 HB VAL 19 HB VAL 19 -0.618 -0.273 2.648 126 1HG1 VAL 19 1HG1 VAL 19 -3.010 -0.638 0.849 127 2HG1 VAL 19 2HG1 VAL 19 -2.908 -1.085 2.553 128 3HG1 VAL 19 3HG1 VAL 19 -1.903 -1.914 1.360 129 1HG2 VAL 19 1HG2 VAL 19 0.010 -0.779 0.329 130 2HG2 VAL 19 2HG2 VAL 19 0.418 0.878 0.775 131 3HG2 VAL 19 3HG2 VAL 19 -0.998 0.559 -0.226 132 H SER 20 H SER 20 -0.199 1.178 4.142 133 HA SER 20 HA SER 20 1.620 3.239 3.221 134 1HB SER 20 2HB SER 20 0.243 3.428 5.900 135 2HB SER 20 1HB SER 20 1.593 4.438 5.392 136 HG SER 20 HG SER 20 -0.523 4.358 3.631 137 H LEU 21 H LEU 21 3.655 3.219 4.375 138 HA LEU 21 HA LEU 21 4.553 0.581 4.905 139 1HB LEU 21 2HB LEU 21 5.769 3.308 5.002 140 2HB LEU 21 1HB LEU 21 6.640 1.965 5.704 141 HG LEU 21 HG LEU 21 7.360 2.504 3.407 142 1HD1 LEU 21 1HD1 LEU 21 7.163 0.169 2.518 143 2HD1 LEU 21 2HD1 LEU 21 6.119 -0.187 3.897 144 3HD1 LEU 21 3HD1 LEU 21 7.791 0.312 4.158 145 1HD2 LEU 21 1HD2 LEU 21 5.929 1.936 1.518 146 2HD2 LEU 21 2HD2 LEU 21 5.225 3.230 2.487 147 3HD2 LEU 21 3HD2 LEU 21 4.599 1.587 2.622 148 H ILE 22 H ILE 22 4.752 -0.530 6.778 149 HA ILE 22 HA ILE 22 4.019 0.816 9.275 150 HB ILE 22 HB ILE 22 3.938 -1.383 10.297 151 1HG1 ILE 22 2HG1 ILE 22 4.843 -2.475 7.622 152 2HG1 ILE 22 1HG1 ILE 22 5.857 -2.363 9.055 153 1HG2 ILE 22 1HG2 ILE 22 2.593 -1.360 7.602 154 2HG2 ILE 22 2HG2 ILE 22 1.978 -0.624 9.081 155 3HG2 ILE 22 3HG2 ILE 22 2.141 -2.376 8.971 156 1HD1 ILE 22 1HD1 ILE 22 5.016 -4.617 8.731 157 2HD1 ILE 22 2HD1 ILE 22 3.357 -4.017 8.792 158 3HD1 ILE 22 3HD1 ILE 22 4.385 -3.915 10.223 159 H LYS 23 H LYS 23 6.750 0.057 7.549 160 HA LYS 23 HA LYS 23 8.491 0.860 9.694 161 1HB LYS 23 2HB LYS 23 10.029 -1.191 8.977 162 2HB LYS 23 1HB LYS 23 8.843 -1.346 10.265 163 1HG LYS 23 2HG LYS 23 7.512 -2.728 9.067 164 2HG LYS 23 1HG LYS 23 7.911 -1.966 7.530 165 1HD LYS 23 2HD LYS 23 8.774 -4.243 7.623 166 2HD LYS 23 1HD LYS 23 10.094 -3.076 7.548 167 1HE LYS 23 2HE LYS 23 10.640 -4.784 9.144 168 2HE LYS 23 1HE LYS 23 10.351 -3.269 9.990 169 1HZ LYS 23 1HZ LYS 23 8.313 -5.408 9.698 170 2HZ LYS 23 2HZ LYS 23 8.214 -4.032 10.687 171 3HZ LYS 23 3HZ LYS 23 9.334 -5.256 11.042 172 H ASP 24 H ASP 24 10.901 0.681 8.621 173 HA ASP 24 HA ASP 24 10.600 2.139 6.106 174 1HB ASP 24 2HB ASP 24 13.215 1.703 7.521 175 2HB ASP 24 1HB ASP 24 12.749 3.021 6.461 176 H LEU 25 H LEU 25 10.693 1.041 4.282 177 HA LEU 25 HA LEU 25 12.390 -1.365 4.152 178 1HB LEU 25 2HB LEU 25 9.746 -0.803 2.816 179 2HB LEU 25 1HB LEU 25 10.811 -2.093 2.300 180 HG LEU 25 HG LEU 25 9.116 -3.058 3.643 181 1HD1 LEU 25 1HD1 LEU 25 10.377 -3.988 5.553 182 2HD1 LEU 25 2HD1 LEU 25 11.646 -2.799 5.258 183 3HD1 LEU 25 3HD1 LEU 25 11.287 -4.023 4.041 184 1HD2 LEU 25 1HD2 LEU 25 9.720 -0.879 5.602 185 2HD2 LEU 25 2HD2 LEU 25 8.855 -2.348 6.047 186 3HD2 LEU 25 3HD2 LEU 25 8.189 -1.276 4.822 187 H LYS 26 H LYS 26 14.030 -1.222 2.786 188 HA LYS 26 HA LYS 26 14.050 0.902 0.784 189 1HB LYS 26 2HB LYS 26 16.009 0.555 2.294 190 2HB LYS 26 1HB LYS 26 16.235 -1.026 1.573 191 1HG LYS 26 2HG LYS 26 16.153 1.175 -0.355 192 2HG LYS 26 1HG LYS 26 17.499 1.239 0.783 193 1HD LYS 26 2HD LYS 26 16.777 -1.121 -0.953 194 2HD LYS 26 1HD LYS 26 18.085 0.021 -1.264 195 1HE LYS 26 2HE LYS 26 17.879 -1.615 1.250 196 2HE LYS 26 1HE LYS 26 18.759 -2.152 -0.181 197 1HZ LYS 26 1HZ LYS 26 20.300 -0.418 0.046 198 2HZ LYS 26 2HZ LYS 26 20.086 -1.017 1.618 199 3HZ LYS 26 3HZ LYS 26 19.336 0.431 1.153 200 H LEU 27 H LEU 27 14.170 0.524 -1.390 201 HA LEU 27 HA LEU 27 12.883 -1.862 -2.287 202 1HB LEU 27 2HB LEU 27 13.983 0.555 -3.698 203 2HB LEU 27 1HB LEU 27 13.263 -0.781 -4.570 204 HG LEU 27 HG LEU 27 11.885 0.996 -2.558 205 1HD1 LEU 27 1HD1 LEU 27 11.520 0.676 -5.533 206 2HD1 LEU 27 2HD1 LEU 27 12.255 2.056 -4.717 207 3HD1 LEU 27 3HD1 LEU 27 10.544 1.698 -4.478 208 1HD2 LEU 27 1HD2 LEU 27 11.070 -1.302 -2.394 209 2HD2 LEU 27 2HD2 LEU 27 10.785 -1.329 -4.135 210 3HD2 LEU 27 3HD2 LEU 27 9.855 -0.240 -3.105 211 H LYS 28 H LYS 28 13.637 -3.377 -3.787 212 HA LYS 28 HA LYS 28 16.374 -4.146 -3.418 213 1HB LYS 28 2HB LYS 28 15.758 -6.065 -4.882 214 2HB LYS 28 1HB LYS 28 14.695 -5.869 -3.497 215 1HG LYS 28 2HG LYS 28 13.047 -4.757 -4.944 216 2HG LYS 28 1HG LYS 28 14.107 -5.030 -6.328 217 1HD LYS 28 2HD LYS 28 13.951 -7.446 -5.967 218 2HD LYS 28 1HD LYS 28 12.893 -7.171 -4.582 219 1HE LYS 28 2HE LYS 28 11.247 -6.113 -6.044 220 2HE LYS 28 1HE LYS 28 12.308 -6.363 -7.429 221 1HZ LYS 28 1HZ LYS 28 10.576 -8.046 -7.299 222 2HZ LYS 28 2HZ LYS 28 11.118 -8.516 -5.763 223 3HZ LYS 28 3HZ LYS 28 12.112 -8.743 -7.120 224 H GLY 29 H GLY 29 15.095 -1.861 -5.292 225 1HA GLY 29 2HA GLY 29 17.199 -2.176 -7.334 226 2HA GLY 29 1HA GLY 29 15.614 -1.510 -7.720 227 H SER 30 H SER 30 18.715 -0.699 -7.060 228 HA SER 30 HA SER 30 19.800 1.236 -6.598 229 1HB SER 30 2HB SER 30 18.035 2.246 -8.076 230 2HB SER 30 1HB SER 30 17.077 2.568 -6.633 231 HG SER 30 HG SER 30 18.781 4.175 -7.634 232 H SER 31 H SER 31 19.308 3.333 -4.910 233 HA SER 31 HA SER 31 19.096 1.916 -2.350 234 1HB SER 31 2HB SER 31 21.190 3.231 -2.998 235 2HB SER 31 1HB SER 31 20.219 4.687 -2.793 236 HG SER 31 HG SER 31 21.416 3.146 -0.923 237 H THR 32 H THR 32 16.725 2.618 -3.778 238 HA THR 32 HA THR 32 15.600 4.992 -2.621 239 HB THR 32 HB THR 32 14.217 2.673 -3.989 240 HG1 THR 32 1HG THR 32 15.596 4.927 -4.921 241 1HG2 THR 32 1HG2 THR 32 12.693 4.075 -2.663 242 2HG2 THR 32 2HG2 THR 32 12.404 4.257 -4.394 243 3HG2 THR 32 3HG2 THR 32 13.281 5.506 -3.508 244 H VAL 33 H VAL 33 15.323 5.042 -0.465 245 HA VAL 33 HA VAL 33 14.413 2.587 0.889 246 HB VAL 33 HB VAL 33 15.421 5.032 2.318 247 1HG1 VAL 33 1HG1 VAL 33 16.041 3.402 4.032 248 2HG1 VAL 33 2HG1 VAL 33 15.439 2.097 3.009 249 3HG1 VAL 33 3HG1 VAL 33 14.324 3.311 3.641 250 1HG2 VAL 33 1HG2 VAL 33 17.677 4.055 2.328 251 2HG2 VAL 33 2HG2 VAL 33 17.154 4.511 0.708 252 3HG2 VAL 33 3HG2 VAL 33 17.132 2.818 1.194 253 H LEU 34 H LEU 34 12.240 2.559 1.106 254 HA LEU 34 HA LEU 34 10.752 5.007 1.508 255 1HB LEU 34 2HB LEU 34 9.929 2.112 1.485 256 2HB LEU 34 1HB LEU 34 8.820 3.410 1.880 257 HG LEU 34 HG LEU 34 9.594 4.374 -0.432 258 1HD1 LEU 34 1HD1 LEU 34 11.319 2.732 -0.869 259 2HD1 LEU 34 2HD1 LEU 34 10.030 2.604 -2.068 260 3HD1 LEU 34 3HD1 LEU 34 10.135 1.430 -0.756 261 1HD2 LEU 34 1HD2 LEU 34 7.332 3.735 0.176 262 2HD2 LEU 34 2HD2 LEU 34 7.705 2.046 -0.171 263 3HD2 LEU 34 3HD2 LEU 34 7.714 3.238 -1.473 264 H LYS 35 H LYS 35 9.582 5.506 3.411 265 HA LYS 35 HA LYS 35 10.929 4.409 5.784 266 1HB LYS 35 2HB LYS 35 9.978 7.197 5.170 267 2HB LYS 35 1HB LYS 35 10.360 6.675 6.807 268 1HG LYS 35 2HG LYS 35 12.322 6.391 4.561 269 2HG LYS 35 1HG LYS 35 12.184 7.881 5.499 270 1HD LYS 35 2HD LYS 35 12.743 5.139 6.629 271 2HD LYS 35 1HD LYS 35 13.961 6.378 6.323 272 1HE LYS 35 2HE LYS 35 11.639 6.568 8.247 273 2HE LYS 35 1HE LYS 35 13.341 6.362 8.669 274 1HZ LYS 35 1HZ LYS 35 12.948 8.630 8.937 275 2HZ LYS 35 2HZ LYS 35 12.004 8.741 7.537 276 3HZ LYS 35 3HZ LYS 35 13.685 8.540 7.407 277 H ARG 36 H ARG 36 9.735 4.453 7.770 278 HA ARG 36 HA ARG 36 7.201 3.308 7.631 279 1HB ARG 36 2HB ARG 36 8.796 3.237 9.578 280 2HB ARG 36 1HB ARG 36 8.302 4.880 9.959 281 1HG ARG 36 2HG ARG 36 6.075 4.212 10.414 282 2HG ARG 36 1HG ARG 36 6.363 2.594 9.768 283 1HD ARG 36 2HD ARG 36 7.991 2.198 11.555 284 2HD ARG 36 1HD ARG 36 7.626 3.789 12.229 285 HE ARG 36 HE ARG 36 5.565 1.694 11.961 286 1HH1 ARG 36 1HH1 ARG 36 7.319 4.015 13.923 287 2HH1 ARG 36 2HH1 ARG 36 6.247 3.862 15.283 288 1HH2 ARG 36 1HH2 ARG 36 4.159 1.491 13.737 289 2HH2 ARG 36 2HH2 ARG 36 4.449 2.432 15.178 290 H GLY 37 H GLY 37 5.203 4.107 7.453 291 1HA GLY 37 2HA GLY 37 3.501 5.707 7.779 292 2HA GLY 37 1HA GLY 37 4.731 6.933 8.030 293 H THR 38 H THR 38 5.846 5.462 5.361 294 HA THR 38 HA THR 38 4.992 7.459 3.562 295 HB THR 38 HB THR 38 6.138 4.717 2.949 296 HG1 THR 38 1HG THR 38 7.230 7.219 3.639 297 1HG2 THR 38 1HG2 THR 38 4.983 5.719 1.010 298 2HG2 THR 38 2HG2 THR 38 6.729 5.640 0.769 299 3HG2 THR 38 3HG2 THR 38 5.964 7.173 1.189 300 H MET 39 H MET 39 3.052 7.709 2.642 301 HA MET 39 HA MET 39 1.176 5.503 2.729 302 1HB MET 39 2HB MET 39 0.247 7.551 3.469 303 2HB MET 39 1HB MET 39 0.870 8.425 2.076 304 1HG MET 39 2HG MET 39 -0.708 7.444 0.626 305 2HG MET 39 1HG MET 39 -1.161 6.230 1.820 306 1HE MET 39 1HE MET 39 -3.349 8.104 4.326 307 2HE MET 39 2HE MET 39 -1.714 7.444 4.420 308 3HE MET 39 3HE MET 39 -2.990 6.537 3.602 309 H ILE 40 H ILE 40 0.937 4.172 1.174 310 HA ILE 40 HA ILE 40 1.438 5.044 -1.597 311 HB ILE 40 HB ILE 40 1.338 2.225 -0.494 312 1HG1 ILE 40 2HG1 ILE 40 3.674 3.891 -1.453 313 2HG1 ILE 40 1HG1 ILE 40 3.346 3.444 0.216 314 1HG2 ILE 40 1HG2 ILE 40 0.548 2.317 -2.792 315 2HG2 ILE 40 2HG2 ILE 40 2.133 1.546 -2.716 316 3HG2 ILE 40 3HG2 ILE 40 1.990 3.215 -3.269 317 1HD1 ILE 40 1HD1 ILE 40 3.997 1.537 -2.018 318 2HD1 ILE 40 2HD1 ILE 40 3.687 1.099 -0.338 319 3HD1 ILE 40 3HD1 ILE 40 5.100 2.070 -0.750 320 H ARG 41 H ARG 41 -0.510 5.910 -2.143 321 HA ARG 41 HA ARG 41 -2.898 4.306 -1.611 322 1HB ARG 41 2HB ARG 41 -4.029 6.600 -2.293 323 2HB ARG 41 1HB ARG 41 -3.471 6.282 -0.664 324 1HG ARG 41 2HG ARG 41 -2.841 8.499 -1.269 325 2HG ARG 41 1HG ARG 41 -1.388 7.512 -1.170 326 1HD ARG 41 2HD ARG 41 -1.109 7.487 -3.491 327 2HD ARG 41 1HD ARG 41 -2.778 7.976 -3.786 328 HE ARG 41 HE ARG 41 -2.190 10.177 -3.425 329 1HH1 ARG 41 1HH1 ARG 41 0.533 8.118 -2.606 330 2HH1 ARG 41 2HH1 ARG 41 1.649 9.446 -2.474 331 1HH2 ARG 41 1HH2 ARG 41 -0.723 11.899 -3.274 332 2HH2 ARG 41 2HH2 ARG 41 0.951 11.583 -2.891 333 H GLY 42 H GLY 42 -4.217 3.631 -3.189 334 1HA GLY 42 2HA GLY 42 -5.037 3.548 -5.416 335 2HA GLY 42 1HA GLY 42 -3.594 4.404 -5.948 336 H ILE 43 H ILE 43 -4.125 1.474 -4.009 337 HA ILE 43 HA ILE 43 -2.102 0.133 -5.647 338 HB ILE 43 HB ILE 43 -1.858 -1.481 -3.875 339 1HG1 ILE 43 2HG1 ILE 43 -3.186 -0.782 -1.649 340 2HG1 ILE 43 1HG1 ILE 43 -4.371 -0.258 -2.840 341 1HG2 ILE 43 1HG2 ILE 43 -0.684 0.685 -3.703 342 2HG2 ILE 43 2HG2 ILE 43 -0.963 -0.086 -2.142 343 3HG2 ILE 43 3HG2 ILE 43 -1.975 1.266 -2.652 344 1HD1 ILE 43 1HD1 ILE 43 -4.839 -2.505 -2.054 345 2HD1 ILE 43 2HD1 ILE 43 -3.240 -3.035 -2.578 346 3HD1 ILE 43 3HD1 ILE 43 -4.431 -2.513 -3.770 347 H ARG 44 H ARG 44 -2.485 -2.171 -6.106 348 HA ARG 44 HA ARG 44 -5.293 -2.921 -6.351 349 1HB ARG 44 2HB ARG 44 -4.844 -3.674 -8.706 350 2HB ARG 44 1HB ARG 44 -4.896 -1.932 -8.476 351 1HG ARG 44 2HG ARG 44 -2.475 -1.840 -8.477 352 2HG ARG 44 1HG ARG 44 -2.397 -3.594 -8.655 353 1HD ARG 44 2HD ARG 44 -2.065 -2.506 -10.796 354 2HD ARG 44 1HD ARG 44 -3.569 -3.425 -10.789 355 HE ARG 44 HE ARG 44 -4.756 -1.314 -10.540 356 1HH1 ARG 44 1HH1 ARG 44 -1.367 -1.100 -11.417 357 2HH1 ARG 44 2HH1 ARG 44 -1.556 0.408 -12.265 358 1HH2 ARG 44 1HH2 ARG 44 -5.004 0.676 -11.659 359 2HH2 ARG 44 2HH2 ARG 44 -3.614 1.408 -12.415 360 H LEU 45 H LEU 45 -5.457 -5.232 -7.148 361 HA LEU 45 HA LEU 45 -3.615 -6.790 -5.527 362 1HB LEU 45 2HB LEU 45 -6.082 -7.714 -7.002 363 2HB LEU 45 1HB LEU 45 -5.212 -8.590 -5.757 364 HG LEU 45 HG LEU 45 -6.872 -6.099 -5.406 365 1HD1 LEU 45 1HD1 LEU 45 -7.163 -8.891 -4.315 366 2HD1 LEU 45 2HD1 LEU 45 -8.143 -8.164 -5.589 367 3HD1 LEU 45 3HD1 LEU 45 -8.213 -7.522 -3.947 368 1HD2 LEU 45 1HD2 LEU 45 -5.202 -7.548 -3.361 369 2HD2 LEU 45 2HD2 LEU 45 -6.323 -6.226 -3.033 370 3HD2 LEU 45 3HD2 LEU 45 -4.882 -5.940 -4.011 371 H THR 46 H THR 46 -2.460 -8.564 -6.312 372 HA THR 46 HA THR 46 -1.898 -8.435 -9.192 373 HB THR 46 HB THR 46 0.229 -9.567 -8.634 374 HG1 THR 46 1HG THR 46 -0.399 -9.147 -5.888 375 1HG2 THR 46 1HG2 THR 46 -0.292 -7.081 -7.005 376 2HG2 THR 46 2HG2 THR 46 0.181 -7.132 -8.704 377 3HG2 THR 46 3HG2 THR 46 1.298 -7.694 -7.459 378 H ASP 47 H ASP 47 -0.628 -10.944 -9.394 379 HA ASP 47 HA ASP 47 -2.892 -12.761 -9.294 380 1HB ASP 47 2HB ASP 47 -0.041 -13.345 -10.134 381 2HB ASP 47 1HB ASP 47 -1.453 -14.346 -10.446 382 H SER 48 H SER 48 -0.856 -11.640 -7.086 383 HA SER 48 HA SER 48 -0.559 -14.174 -5.634 384 1HB SER 48 2HB SER 48 1.060 -11.644 -5.718 385 2HB SER 48 1HB SER 48 1.173 -12.724 -4.340 386 HG SER 48 HG SER 48 2.636 -12.974 -6.336 387 H GLU 49 H GLU 49 -0.915 -14.095 -3.324 388 HA GLU 49 HA GLU 49 -3.062 -12.242 -2.603 389 1HB GLU 49 2HB GLU 49 -2.003 -14.535 -0.947 390 2HB GLU 49 1HB GLU 49 -3.554 -13.723 -0.792 391 1HG GLU 49 2HG GLU 49 -4.130 -14.613 -3.058 392 2HG GLU 49 1HG GLU 49 -2.657 -15.576 -2.973 393 H ASP 50 H ASP 50 0.225 -13.005 -1.946 394 HA ASP 50 HA ASP 50 0.349 -11.436 0.498 395 1HB ASP 50 2HB ASP 50 2.383 -13.065 -1.019 396 2HB ASP 50 1HB ASP 50 2.786 -12.123 0.414 397 H GLU 51 H GLU 51 0.603 -10.850 -2.785 398 HA GLU 51 HA GLU 51 2.356 -8.532 -2.332 399 1HB GLU 51 2HB GLU 51 2.284 -10.471 -4.592 400 2HB GLU 51 1HB GLU 51 2.751 -8.826 -4.904 401 1HG GLU 51 2HG GLU 51 4.754 -9.994 -4.597 402 2HG GLU 51 1HG GLU 51 4.497 -9.096 -3.106 403 H ILE 52 H ILE 52 1.866 -6.650 -3.356 404 HA ILE 52 HA ILE 52 -0.573 -6.562 -4.979 405 HB ILE 52 HB ILE 52 -1.204 -4.399 -3.997 406 1HG1 ILE 52 2HG1 ILE 52 0.783 -4.918 -1.794 407 2HG1 ILE 52 1HG1 ILE 52 1.182 -3.929 -3.196 408 1HG2 ILE 52 1HG2 ILE 52 -2.073 -5.208 -1.868 409 2HG2 ILE 52 2HG2 ILE 52 -0.981 -6.589 -1.947 410 3HG2 ILE 52 3HG2 ILE 52 -2.262 -6.409 -3.146 411 1HD1 ILE 52 1HD1 ILE 52 -0.644 -2.420 -2.658 412 2HD1 ILE 52 2HD1 ILE 52 0.494 -2.564 -1.318 413 3HD1 ILE 52 3HD1 ILE 52 -1.053 -3.410 -1.255 414 H GLU 53 H GLU 53 -0.688 -4.301 -6.031 415 HA GLU 53 HA GLU 53 1.999 -3.291 -6.642 416 1HB GLU 53 2HB GLU 53 1.106 -4.718 -8.456 417 2HB GLU 53 1HB GLU 53 -0.291 -3.674 -8.558 418 1HG GLU 53 2HG GLU 53 2.253 -2.265 -8.828 419 2HG GLU 53 1HG GLU 53 1.942 -3.454 -10.093 420 H GLY 54 H GLY 54 2.149 -1.140 -6.257 421 1HA GLY 54 2HA GLY 54 -0.367 0.387 -6.162 422 2HA GLY 54 1HA GLY 54 0.692 0.375 -4.764 423 H ARG 55 H ARG 55 0.304 2.758 -5.429 424 HA ARG 55 HA ARG 55 2.706 3.573 -6.879 425 1HB ARG 55 2HB ARG 55 1.411 5.397 -7.981 426 2HB ARG 55 1HB ARG 55 0.993 3.781 -8.534 427 1HG ARG 55 2HG ARG 55 -0.948 3.855 -6.946 428 2HG ARG 55 1HG ARG 55 -0.579 5.561 -6.699 429 1HD ARG 55 2HD ARG 55 -0.999 6.091 -8.954 430 2HD ARG 55 1HD ARG 55 -0.989 4.396 -9.435 431 HE ARG 55 HE ARG 55 -3.064 4.483 -7.739 432 1HH1 ARG 55 1HH1 ARG 55 -2.161 6.578 -10.386 433 2HH1 ARG 55 2HH1 ARG 55 -3.802 6.889 -10.873 434 1HH2 ARG 55 1HH2 ARG 55 -5.248 4.888 -8.374 435 2HH2 ARG 55 2HH2 ARG 55 -5.549 5.925 -9.743 436 H THR 56 H THR 56 3.635 5.410 -6.133 437 HA THR 56 HA THR 56 2.350 6.731 -3.853 438 HB THR 56 HB THR 56 4.030 5.172 -2.984 439 HG1 THR 56 1HG THR 56 4.080 6.787 -1.601 440 1HG2 THR 56 1HG2 THR 56 6.024 6.741 -4.619 441 2HG2 THR 56 2HG2 THR 56 5.530 5.073 -4.905 442 3HG2 THR 56 3HG2 THR 56 6.414 5.492 -3.437 443 H ASP 57 H ASP 57 4.238 8.674 -3.366 444 HA ASP 57 HA ASP 57 3.539 10.505 -5.448 445 1HB ASP 57 2HB ASP 57 5.238 10.831 -2.972 446 2HB ASP 57 1HB ASP 57 4.824 12.154 -4.057 447 H LYS 58 H LYS 58 5.817 8.265 -5.550 448 HA LYS 58 HA LYS 58 7.555 9.902 -7.246 449 1HB LYS 58 2HB LYS 58 8.486 7.888 -5.193 450 2HB LYS 58 1HB LYS 58 9.520 8.595 -6.423 451 1HG LYS 58 2HG LYS 58 9.049 10.830 -5.474 452 2HG LYS 58 1HG LYS 58 8.117 10.051 -4.194 453 1HD LYS 58 2HD LYS 58 10.143 8.790 -3.541 454 2HD LYS 58 1HD LYS 58 11.054 9.674 -4.767 455 1HE LYS 58 2HE LYS 58 9.640 10.865 -2.384 456 2HE LYS 58 1HE LYS 58 11.381 10.670 -2.572 457 1HZ LYS 58 1HZ LYS 58 9.638 12.379 -4.271 458 2HZ LYS 58 2HZ LYS 58 11.314 12.194 -4.451 459 3HZ LYS 58 3HZ LYS 58 10.685 12.927 -3.055 460 H ILE 59 H ILE 59 7.393 6.520 -6.202 461 HA ILE 59 HA ILE 59 7.652 5.676 -8.979 462 HB ILE 59 HB ILE 59 7.616 3.971 -6.481 463 1HG1 ILE 59 2HG1 ILE 59 9.506 5.521 -6.425 464 2HG1 ILE 59 1HG1 ILE 59 10.068 3.880 -6.722 465 1HG2 ILE 59 1HG2 ILE 59 7.037 2.748 -8.509 466 2HG2 ILE 59 2HG2 ILE 59 8.621 2.258 -7.910 467 3HG2 ILE 59 3HG2 ILE 59 8.502 3.341 -9.296 468 1HD1 ILE 59 1HD1 ILE 59 9.742 6.035 -8.801 469 2HD1 ILE 59 2HD1 ILE 59 10.312 4.392 -9.096 470 3HD1 ILE 59 3HD1 ILE 59 11.263 5.489 -8.094 471 H LYS 60 H LYS 60 5.929 5.118 -10.138 472 HA LYS 60 HA LYS 60 3.421 4.517 -8.732 473 1HB LYS 60 2HB LYS 60 2.266 5.127 -10.734 474 2HB LYS 60 1HB LYS 60 3.482 6.368 -10.456 475 1HG LYS 60 2HG LYS 60 4.914 5.432 -12.130 476 2HG LYS 60 1HG LYS 60 3.846 4.041 -12.317 477 1HD LYS 60 2HD LYS 60 3.406 5.481 -14.144 478 2HD LYS 60 1HD LYS 60 2.053 5.661 -13.028 479 1HE LYS 60 2HE LYS 60 3.010 7.720 -12.165 480 2HE LYS 60 1HE LYS 60 4.416 7.524 -13.213 481 1HZ LYS 60 1HZ LYS 60 1.611 7.998 -14.056 482 2HZ LYS 60 2HZ LYS 60 2.867 7.618 -15.127 483 3HZ LYS 60 3HZ LYS 60 2.923 9.059 -14.234 484 H GLY 61 H GLY 61 2.262 2.651 -9.202 485 1HA GLY 61 2HA GLY 61 1.857 0.517 -9.904 486 2HA GLY 61 1HA GLY 61 2.695 0.965 -11.378 487 H LEU 62 H LEU 62 3.898 0.627 -8.036 488 HA LEU 62 HA LEU 62 5.845 -1.294 -9.110 489 1HB LEU 62 2HB LEU 62 7.344 -0.761 -7.395 490 2HB LEU 62 1HB LEU 62 6.688 0.778 -7.899 491 HG LEU 62 HG LEU 62 5.731 -0.713 -5.463 492 1HD1 LEU 62 1HD1 LEU 62 7.778 1.496 -5.671 493 2HD1 LEU 62 2HD1 LEU 62 8.102 -0.180 -5.229 494 3HD1 LEU 62 3HD1 LEU 62 7.123 0.836 -4.172 495 1HD2 LEU 62 1HD2 LEU 62 4.140 0.918 -6.280 496 2HD2 LEU 62 2HD2 LEU 62 5.404 2.143 -6.382 497 3HD2 LEU 62 3HD2 LEU 62 4.901 1.523 -4.809 498 H VAL 63 H VAL 63 5.958 -3.326 -8.360 499 HA VAL 63 HA VAL 63 3.650 -4.236 -6.842 500 HB VAL 63 HB VAL 63 5.805 -5.892 -8.171 501 1HG1 VAL 63 1HG1 VAL 63 4.196 -7.721 -8.016 502 2HG1 VAL 63 2HG1 VAL 63 3.055 -6.655 -7.195 503 3HG1 VAL 63 3HG1 VAL 63 4.582 -7.080 -6.419 504 1HG2 VAL 63 1HG2 VAL 63 3.095 -5.074 -9.215 505 2HG2 VAL 63 2HG2 VAL 63 4.183 -6.229 -9.986 506 3HG2 VAL 63 3HG2 VAL 63 4.659 -4.538 -9.830 507 H LEU 64 H LEU 64 3.768 -4.457 -4.745 508 HA LEU 64 HA LEU 64 6.334 -5.250 -3.546 509 1HB LEU 64 2HB LEU 64 4.560 -2.972 -2.720 510 2HB LEU 64 1HB LEU 64 5.567 -3.793 -1.547 511 HG LEU 64 HG LEU 64 6.682 -2.562 -4.058 512 1HD1 LEU 64 1HD1 LEU 64 5.608 -0.831 -2.695 513 2HD1 LEU 64 2HD1 LEU 64 7.364 -0.675 -2.689 514 3HD1 LEU 64 3HD1 LEU 64 6.534 -1.366 -1.292 515 1HD2 LEU 64 1HD2 LEU 64 8.779 -2.665 -2.689 516 2HD2 LEU 64 2HD2 LEU 64 8.110 -4.236 -3.131 517 3HD2 LEU 64 3HD2 LEU 64 7.881 -3.613 -1.496 518 H ARG 65 H ARG 65 6.259 -6.661 -1.922 519 HA ARG 65 HA ARG 65 3.961 -8.170 -1.345 520 1HB ARG 65 2HB ARG 65 5.380 -8.744 0.781 521 2HB ARG 65 1HB ARG 65 5.921 -9.278 -0.801 522 1HG ARG 65 2HG ARG 65 7.476 -7.465 -0.928 523 2HG ARG 65 1HG ARG 65 6.886 -6.781 0.576 524 1HD ARG 65 2HD ARG 65 7.776 -8.566 1.840 525 2HD ARG 65 1HD ARG 65 8.025 -9.562 0.408 526 HE ARG 65 HE ARG 65 9.552 -7.234 0.121 527 1HH1 ARG 65 1HH1 ARG 65 9.446 -10.072 2.179 528 2HH1 ARG 65 2HH1 ARG 65 11.163 -10.115 2.426 529 1HH2 ARG 65 1HH2 ARG 65 11.809 -7.293 0.442 530 2HH2 ARG 65 2HH2 ARG 65 12.509 -8.523 1.447 531 H THR 66 H THR 66 2.343 -7.872 0.050 532 HA THR 66 HA THR 66 2.189 -5.264 1.322 533 HB THR 66 HB THR 66 0.313 -6.052 -0.069 534 HG1 THR 66 1HG THR 66 -0.392 -5.853 2.690 535 1HG2 THR 66 1HG2 THR 66 -0.039 -8.173 2.053 536 2HG2 THR 66 2HG2 THR 66 0.458 -8.446 0.384 537 3HG2 THR 66 3HG2 THR 66 -1.162 -7.841 0.733 538 H GLU 67 H GLU 67 3.957 -7.334 2.429 539 HA GLU 67 HA GLU 67 2.605 -8.411 4.765 540 1HB GLU 67 2HB GLU 67 5.575 -8.399 4.266 541 2HB GLU 67 1HB GLU 67 4.632 -9.548 5.207 542 1HG GLU 67 2HG GLU 67 3.558 -10.291 3.127 543 2HG GLU 67 1HG GLU 67 4.618 -9.224 2.230 544 H PHE 68 H PHE 68 4.491 -5.753 3.821 545 HA PHE 68 HA PHE 68 4.806 -4.889 6.610 546 1HB PHE 68 2HB PHE 68 6.741 -3.555 5.817 547 2HB PHE 68 1HB PHE 68 6.937 -5.289 5.570 548 HD1 PHE 68 1HD PHE 68 5.965 -2.176 3.775 549 HD2 PHE 68 2HD PHE 68 7.538 -6.119 3.511 550 HE1 PHE 68 1HE PHE 68 6.525 -1.790 1.412 551 HE2 PHE 68 2HE PHE 68 8.095 -5.738 1.147 552 HZ PHE 68 HZ PHE 68 7.591 -3.573 0.094 553 H LEU 69 H LEU 69 2.589 -4.498 4.546 554 HA LEU 69 HA LEU 69 2.567 -1.558 4.630 555 1HB LEU 69 2HB LEU 69 1.056 -3.353 2.736 556 2HB LEU 69 1HB LEU 69 1.038 -1.605 2.732 557 HG LEU 69 HG LEU 69 3.501 -3.263 2.179 558 1HD1 LEU 69 1HD1 LEU 69 3.157 -2.675 -0.163 559 2HD1 LEU 69 2HD1 LEU 69 1.636 -1.886 0.253 560 3HD1 LEU 69 3HD1 LEU 69 1.811 -3.629 0.458 561 1HD2 LEU 69 1HD2 LEU 69 4.030 -1.055 3.003 562 2HD2 LEU 69 2HD2 LEU 69 2.906 -0.324 1.856 563 3HD2 LEU 69 3HD2 LEU 69 4.361 -1.134 1.270 564 H LYS 70 H LYS 70 0.772 -0.537 5.306 565 HA LYS 70 HA LYS 70 -1.163 -2.171 6.811 566 1HB LYS 70 2HB LYS 70 0.560 -0.267 7.770 567 2HB LYS 70 1HB LYS 70 -0.881 0.690 7.477 568 1HG LYS 70 2HG LYS 70 -0.530 -1.666 9.292 569 2HG LYS 70 1HG LYS 70 -0.954 -0.007 9.723 570 1HD LYS 70 2HD LYS 70 -3.058 -0.364 8.334 571 2HD LYS 70 1HD LYS 70 -2.642 -2.075 8.345 572 1HE LYS 70 2HE LYS 70 -4.186 -1.644 10.130 573 2HE LYS 70 1HE LYS 70 -2.600 -2.018 10.804 574 1HZ LYS 70 1HZ LYS 70 -3.722 -0.113 11.886 575 2HZ LYS 70 2HZ LYS 70 -3.630 0.743 10.423 576 3HZ LYS 70 3HZ LYS 70 -2.215 0.281 11.227 577 H LYS 71 H LYS 71 -3.253 -1.984 6.192 578 HA LYS 71 HA LYS 71 -4.032 -0.474 3.957 579 1HB LYS 71 2HB LYS 71 -5.245 -2.473 4.826 580 2HB LYS 71 1HB LYS 71 -5.811 -1.501 6.174 581 1HG LYS 71 2HG LYS 71 -6.857 0.036 4.477 582 2HG LYS 71 1HG LYS 71 -6.485 -1.191 3.268 583 1HD LYS 71 2HD LYS 71 -7.793 -2.830 4.532 584 2HD LYS 71 1HD LYS 71 -8.174 -1.597 5.734 585 1HE LYS 71 2HE LYS 71 -10.036 -1.832 4.236 586 2HE LYS 71 1HE LYS 71 -9.268 -0.270 3.954 587 1HZ LYS 71 1HZ LYS 71 -9.828 -1.386 1.887 588 2HZ LYS 71 2HZ LYS 71 -8.855 -2.709 2.309 589 3HZ LYS 71 3HZ LYS 71 -8.152 -1.189 2.027 590 H ALA 72 H ALA 72 -4.724 1.573 3.728 591 HA ALA 72 HA ALA 72 -4.368 3.307 6.036 592 1HB ALA 72 1HB ALA 72 -3.193 3.870 3.987 593 2HB ALA 72 2HB ALA 72 -4.362 5.127 4.392 594 3HB ALA 72 3HB ALA 72 -4.723 3.965 3.115 595 H GLY 73 H GLY 73 -5.965 5.451 4.968 596 1HA GLY 73 2HA GLY 73 -8.362 5.845 4.643 597 2HA GLY 73 1HA GLY 73 -8.650 4.442 5.669 598 H SER 74 H SER 74 -6.547 5.094 7.513 599 HA SER 74 HA SER 74 -7.940 6.940 9.204 600 1HB SER 74 2HB SER 74 -5.974 6.466 10.749 601 2HB SER 74 1HB SER 74 -6.923 5.057 10.271 602 HG SER 74 HG SER 74 -4.627 5.859 8.832 Start of MODEL 13 1 1H MET 1 1HT MET 1 -12.281 -18.470 -6.888 2 2H MET 1 2HT MET 1 -11.316 -19.856 -6.757 3 3H MET 1 3HT MET 1 -11.693 -19.230 -8.288 4 HA MET 1 HA MET 1 -9.429 -18.692 -7.657 5 1HB MET 1 2HB MET 1 -11.325 -16.334 -7.707 6 2HB MET 1 1HB MET 1 -9.586 -16.214 -7.929 7 1HG MET 1 2HG MET 1 -9.771 -17.646 -9.922 8 2HG MET 1 1HG MET 1 -11.521 -17.673 -9.712 9 1HE MET 1 1HE MET 1 -9.084 -13.880 -10.707 10 2HE MET 1 2HE MET 1 -8.379 -15.483 -10.502 11 3HE MET 1 3HE MET 1 -9.059 -14.634 -9.113 12 H SER 2 H SER 2 -8.312 -18.939 -5.843 13 HA SER 2 HA SER 2 -9.253 -17.551 -3.428 14 1HB SER 2 2HB SER 2 -7.284 -19.844 -3.604 15 2HB SER 2 1HB SER 2 -8.027 -19.191 -2.144 16 HG SER 2 HG SER 2 -10.077 -19.855 -3.037 17 H ILE 3 H ILE 3 -8.322 -15.531 -4.098 18 HA ILE 3 HA ILE 3 -5.501 -15.431 -3.352 19 HB ILE 3 HB ILE 3 -5.062 -13.625 -5.005 20 1HG1 ILE 3 2HG1 ILE 3 -7.654 -14.520 -6.274 21 2HG1 ILE 3 1HG1 ILE 3 -7.437 -13.011 -5.401 22 1HG2 ILE 3 1HG2 ILE 3 -5.844 -16.284 -6.187 23 2HG2 ILE 3 2HG2 ILE 3 -4.302 -15.890 -5.426 24 3HG2 ILE 3 3HG2 ILE 3 -4.771 -15.100 -6.931 25 1HD1 ILE 3 1HD1 ILE 3 -7.327 -12.657 -7.795 26 2HD1 ILE 3 2HD1 ILE 3 -5.999 -13.811 -7.919 27 3HD1 ILE 3 3HD1 ILE 3 -5.776 -12.301 -7.034 28 H GLU 4 H GLU 4 -7.055 -14.967 -1.415 29 HA GLU 4 HA GLU 4 -8.092 -12.300 -1.280 30 1HB GLU 4 2HB GLU 4 -7.609 -14.421 0.801 31 2HB GLU 4 1HB GLU 4 -8.230 -12.823 1.204 32 1HG GLU 4 2HG GLU 4 -10.181 -13.165 -0.094 33 2HG GLU 4 1HG GLU 4 -9.528 -14.645 -0.789 34 H VAL 5 H VAL 5 -6.851 -10.606 -1.271 35 HA VAL 5 HA VAL 5 -4.150 -10.782 -0.156 36 HB VAL 5 HB VAL 5 -5.292 -8.444 -1.683 37 1HG1 VAL 5 1HG1 VAL 5 -3.242 -8.003 -0.485 38 2HG1 VAL 5 2HG1 VAL 5 -2.918 -8.046 -2.219 39 3HG1 VAL 5 3HG1 VAL 5 -2.482 -9.423 -1.204 40 1HG2 VAL 5 1HG2 VAL 5 -4.466 -9.365 -3.736 41 2HG2 VAL 5 2HG2 VAL 5 -5.540 -10.557 -2.998 42 3HG2 VAL 5 3HG2 VAL 5 -3.791 -10.762 -2.892 43 H ARG 6 H ARG 6 -3.787 -10.010 1.826 44 HA ARG 6 HA ARG 6 -5.474 -7.802 2.803 45 1HB ARG 6 2HB ARG 6 -4.456 -9.899 4.698 46 2HB ARG 6 1HB ARG 6 -5.743 -8.730 4.937 47 1HG ARG 6 2HG ARG 6 -7.059 -10.524 4.634 48 2HG ARG 6 1HG ARG 6 -6.786 -10.179 2.927 49 1HD ARG 6 2HD ARG 6 -5.157 -11.829 2.715 50 2HD ARG 6 1HD ARG 6 -4.909 -11.942 4.455 51 HE ARG 6 HE ARG 6 -7.476 -12.744 4.166 52 1HH1 ARG 6 1HH1 ARG 6 -4.494 -13.700 2.588 53 2HH1 ARG 6 2HH1 ARG 6 -4.994 -15.342 2.332 54 1HH2 ARG 6 1HH2 ARG 6 -8.133 -14.912 3.850 55 2HH2 ARG 6 2HH2 ARG 6 -7.072 -16.027 3.039 56 H ASP 7 H ASP 7 -4.424 -6.494 4.470 57 HA ASP 7 HA ASP 7 -1.598 -6.190 3.887 58 1HB ASP 7 2HB ASP 7 -1.761 -4.097 5.008 59 2HB ASP 7 1HB ASP 7 -3.260 -4.273 4.103 60 H CYS 8 H CYS 8 -0.564 -5.263 6.267 61 HA CYS 8 HA CYS 8 0.052 -7.696 7.592 62 1HB CYS 8 2HB CYS 8 1.360 -6.267 9.134 63 2HB CYS 8 1HB CYS 8 1.695 -5.917 7.443 64 HG CYS 8 HG CYS 8 0.179 -3.590 7.365 65 H ASN 9 H ASN 9 -2.522 -5.538 7.937 66 HA ASN 9 HA ASN 9 -3.009 -6.080 10.752 67 1HB ASN 9 2HB ASN 9 -3.581 -3.913 9.410 68 2HB ASN 9 1HB ASN 9 -4.979 -4.818 8.872 69 1HD2 ASN 9 1HD2 ASN 9 -6.304 -3.290 9.915 70 2HD2 ASN 9 2HD2 ASN 9 -6.555 -3.354 11.624 71 H GLY 10 H GLY 10 -4.202 -6.987 7.591 72 1HA GLY 10 2HA GLY 10 -5.131 -9.265 7.384 73 2HA GLY 10 1HA GLY 10 -5.979 -8.947 8.894 74 H ALA 11 H ALA 11 -5.817 -6.193 7.004 75 HA ALA 11 HA ALA 11 -8.650 -6.361 6.418 76 1HB ALA 11 1HB ALA 11 -7.761 -4.272 7.275 77 2HB ALA 11 2HB ALA 11 -8.385 -4.036 5.642 78 3HB ALA 11 3HB ALA 11 -6.646 -4.159 5.912 79 H LEU 12 H LEU 12 -9.459 -7.033 4.561 80 HA LEU 12 HA LEU 12 -7.834 -7.935 2.434 81 1HB LEU 12 2HB LEU 12 -10.796 -7.562 2.778 82 2HB LEU 12 1HB LEU 12 -10.121 -8.078 1.245 83 HG LEU 12 HG LEU 12 -9.492 -9.585 3.771 84 1HD1 LEU 12 1HD1 LEU 12 -11.373 -11.074 3.259 85 2HD1 LEU 12 2HD1 LEU 12 -11.884 -9.990 1.965 86 3HD1 LEU 12 3HD1 LEU 12 -11.930 -9.446 3.641 87 1HD2 LEU 12 1HD2 LEU 12 -8.165 -10.032 1.765 88 2HD2 LEU 12 2HD2 LEU 12 -9.640 -10.369 0.858 89 3HD2 LEU 12 3HD2 LEU 12 -9.166 -11.417 2.196 90 H LEU 13 H LEU 13 -7.166 -6.984 0.661 91 HA LEU 13 HA LEU 13 -7.758 -4.138 0.303 92 1HB LEU 13 2HB LEU 13 -5.485 -5.892 -0.628 93 2HB LEU 13 1HB LEU 13 -5.677 -4.216 -1.118 94 HG LEU 13 HG LEU 13 -5.365 -5.088 1.757 95 1HD1 LEU 13 1HD1 LEU 13 -3.284 -4.025 -0.146 96 2HD1 LEU 13 2HD1 LEU 13 -3.371 -5.672 0.475 97 3HD1 LEU 13 3HD1 LEU 13 -3.055 -4.330 1.576 98 1HD2 LEU 13 1HD2 LEU 13 -6.478 -2.908 1.355 99 2HD2 LEU 13 2HD2 LEU 13 -5.048 -2.376 0.464 100 3HD2 LEU 13 3HD2 LEU 13 -4.931 -2.754 2.188 101 H ALA 14 H ALA 14 -7.726 -3.371 -1.978 102 HA ALA 14 HA ALA 14 -8.354 -5.270 -4.053 103 1HB ALA 14 1HB ALA 14 -10.559 -4.441 -4.557 104 2HB ALA 14 2HB ALA 14 -10.458 -3.264 -3.248 105 3HB ALA 14 3HB ALA 14 -10.519 -4.989 -2.880 106 H ASP 15 H ASP 15 -9.059 -3.881 -6.104 107 HA ASP 15 HA ASP 15 -6.962 -2.069 -6.644 108 1HB ASP 15 2HB ASP 15 -8.128 -3.368 -8.408 109 2HB ASP 15 1HB ASP 15 -9.566 -2.384 -8.154 110 H GLY 16 H GLY 16 -6.771 0.045 -6.329 111 1HA GLY 16 2HA GLY 16 -7.483 2.277 -6.154 112 2HA GLY 16 1HA GLY 16 -9.143 1.716 -5.999 113 H ASP 17 H ASP 17 -6.941 0.030 -4.054 114 HA ASP 17 HA ASP 17 -8.129 1.213 -1.678 115 1HB ASP 17 2HB ASP 17 -7.618 -1.343 -2.244 116 2HB ASP 17 1HB ASP 17 -6.075 -0.942 -1.496 117 H ASN 18 H ASN 18 -6.485 1.327 0.267 118 HA ASN 18 HA ASN 18 -4.074 2.748 -0.627 119 1HB ASN 18 2HB ASN 18 -4.636 4.335 1.414 120 2HB ASN 18 1HB ASN 18 -5.283 4.649 -0.191 121 1HD2 ASN 18 1HD2 ASN 18 -7.410 4.362 -0.584 122 2HD2 ASN 18 2HD2 ASN 18 -8.592 4.143 0.658 123 H VAL 19 H VAL 19 -2.336 2.211 0.407 124 HA VAL 19 HA VAL 19 -2.557 1.019 3.091 125 HB VAL 19 HB VAL 19 -0.625 -0.421 2.571 126 1HG1 VAL 19 1HG1 VAL 19 -2.972 -0.762 0.715 127 2HG1 VAL 19 2HG1 VAL 19 -2.842 -1.357 2.370 128 3HG1 VAL 19 3HG1 VAL 19 -1.798 -2.017 1.109 129 1HG2 VAL 19 1HG2 VAL 19 -0.963 0.638 -0.234 130 2HG2 VAL 19 2HG2 VAL 19 0.038 -0.745 0.206 131 3HG2 VAL 19 3HG2 VAL 19 0.434 0.859 0.823 132 H SER 20 H SER 20 -0.212 0.993 4.096 133 HA SER 20 HA SER 20 1.422 3.227 3.292 134 1HB SER 20 2HB SER 20 -0.078 3.213 5.894 135 2HB SER 20 1HB SER 20 1.329 4.230 5.617 136 HG SER 20 HG SER 20 -0.736 4.285 3.736 137 H LEU 21 H LEU 21 3.485 3.222 4.178 138 HA LEU 21 HA LEU 21 4.584 0.694 4.764 139 1HB LEU 21 2HB LEU 21 5.576 3.503 4.721 140 2HB LEU 21 1HB LEU 21 6.573 2.287 5.489 141 HG LEU 21 HG LEU 21 7.208 2.738 3.148 142 1HD1 LEU 21 1HD1 LEU 21 6.194 -0.010 3.808 143 2HD1 LEU 21 2HD1 LEU 21 7.812 0.641 4.076 144 3HD1 LEU 21 3HD1 LEU 21 7.239 0.354 2.432 145 1HD2 LEU 21 1HD2 LEU 21 4.990 3.205 2.238 146 2HD2 LEU 21 2HD2 LEU 21 4.534 1.521 2.481 147 3HD2 LEU 21 3HD2 LEU 21 5.803 1.933 1.328 148 H ILE 22 H ILE 22 4.722 -0.395 6.634 149 HA ILE 22 HA ILE 22 4.166 1.034 9.135 150 HB ILE 22 HB ILE 22 3.958 -1.113 10.202 151 1HG1 ILE 22 2HG1 ILE 22 4.772 -2.364 7.572 152 2HG1 ILE 22 1HG1 ILE 22 5.825 -2.220 8.976 153 1HG2 ILE 22 1HG2 ILE 22 2.116 -2.087 8.911 154 2HG2 ILE 22 2HG2 ILE 22 2.593 -1.118 7.518 155 3HG2 ILE 22 3HG2 ILE 22 2.016 -0.329 8.986 156 1HD1 ILE 22 1HD1 ILE 22 4.899 -4.447 8.799 157 2HD1 ILE 22 2HD1 ILE 22 3.262 -3.789 8.836 158 3HD1 ILE 22 3HD1 ILE 22 4.304 -3.641 10.251 159 H LYS 23 H LYS 23 6.767 0.229 7.293 160 HA LYS 23 HA LYS 23 8.629 0.626 9.502 161 1HB LYS 23 2HB LYS 23 9.140 -1.502 7.424 162 2HB LYS 23 1HB LYS 23 10.069 -1.171 8.873 163 1HG LYS 23 2HG LYS 23 8.375 -2.109 10.258 164 2HG LYS 23 1HG LYS 23 7.261 -2.235 8.890 165 1HD LYS 23 2HD LYS 23 8.094 -4.398 9.104 166 2HD LYS 23 1HD LYS 23 9.068 -3.699 7.814 167 1HE LYS 23 2HE LYS 23 9.921 -3.887 10.700 168 2HE LYS 23 1HE LYS 23 10.375 -5.031 9.442 169 1HZ LYS 23 1HZ LYS 23 12.152 -3.517 9.704 170 2HZ LYS 23 2HZ LYS 23 11.134 -2.168 9.633 171 3HZ LYS 23 3HZ LYS 23 11.399 -3.104 8.244 172 H ASP 24 H ASP 24 10.899 0.858 8.468 173 HA ASP 24 HA ASP 24 10.733 2.456 6.030 174 1HB ASP 24 2HB ASP 24 13.224 1.849 7.610 175 2HB ASP 24 1HB ASP 24 12.918 3.200 6.533 176 H LEU 25 H LEU 25 10.693 1.164 4.232 177 HA LEU 25 HA LEU 25 12.154 -1.381 4.364 178 1HB LEU 25 2HB LEU 25 9.705 -0.543 2.874 179 2HB LEU 25 1HB LEU 25 10.687 -1.845 2.242 180 HG LEU 25 HG LEU 25 8.853 -2.771 3.479 181 1HD1 LEU 25 1HD1 LEU 25 11.411 -3.022 5.045 182 2HD1 LEU 25 2HD1 LEU 25 10.941 -3.982 3.641 183 3HD1 LEU 25 3HD1 LEU 25 10.031 -4.114 5.148 184 1HD2 LEU 25 1HD2 LEU 25 8.571 -2.351 5.882 185 2HD2 LEU 25 2HD2 LEU 25 8.299 -0.917 4.896 186 3HD2 LEU 25 3HD2 LEU 25 9.809 -1.098 5.787 187 H LYS 26 H LYS 26 14.061 -1.197 3.556 188 HA LYS 26 HA LYS 26 14.508 0.307 1.109 189 1HB LYS 26 2HB LYS 26 16.148 0.495 2.903 190 2HB LYS 26 1HB LYS 26 16.374 -1.238 2.889 191 1HG LYS 26 2HG LYS 26 16.863 0.082 0.321 192 2HG LYS 26 1HG LYS 26 17.985 0.497 1.619 193 1HD LYS 26 2HD LYS 26 17.302 -2.302 0.718 194 2HD LYS 26 1HD LYS 26 18.775 -1.420 0.305 195 1HE LYS 26 2HE LYS 26 19.376 -1.302 2.666 196 2HE LYS 26 1HE LYS 26 17.894 -2.148 3.100 197 1HZ LYS 26 1HZ LYS 26 18.705 -4.040 1.744 198 2HZ LYS 26 2HZ LYS 26 19.666 -3.702 3.101 199 3HZ LYS 26 3HZ LYS 26 20.187 -3.229 1.559 200 H LEU 27 H LEU 27 14.985 -0.617 -0.815 201 HA LEU 27 HA LEU 27 13.733 -3.176 -1.201 202 1HB LEU 27 2HB LEU 27 13.709 -0.965 -2.669 203 2HB LEU 27 1HB LEU 27 15.111 -1.707 -3.405 204 HG LEU 27 HG LEU 27 13.028 -2.133 -4.663 205 1HD1 LEU 27 1HD1 LEU 27 14.249 -4.603 -3.442 206 2HD1 LEU 27 2HD1 LEU 27 14.858 -3.722 -4.844 207 3HD1 LEU 27 3HD1 LEU 27 13.301 -4.544 -4.928 208 1HD2 LEU 27 1HD2 LEU 27 12.206 -3.668 -2.203 209 2HD2 LEU 27 2HD2 LEU 27 11.347 -3.649 -3.744 210 3HD2 LEU 27 3HD2 LEU 27 11.478 -2.172 -2.788 211 H LYS 28 H LYS 28 16.748 -1.968 -2.628 212 HA LYS 28 HA LYS 28 18.115 -4.439 -1.893 213 1HB LYS 28 2HB LYS 28 16.988 -4.765 -4.120 214 2HB LYS 28 1HB LYS 28 17.972 -3.451 -4.749 215 1HG LYS 28 2HG LYS 28 19.992 -4.729 -4.295 216 2HG LYS 28 1HG LYS 28 19.018 -6.042 -3.627 217 1HD LYS 28 2HD LYS 28 17.888 -6.258 -5.821 218 2HD LYS 28 1HD LYS 28 18.975 -5.026 -6.468 219 1HE LYS 28 2HE LYS 28 20.892 -6.442 -5.946 220 2HE LYS 28 1HE LYS 28 19.813 -7.669 -5.283 221 1HZ LYS 28 1HZ LYS 28 18.777 -7.823 -7.507 222 2HZ LYS 28 2HZ LYS 28 20.410 -8.276 -7.495 223 3HZ LYS 28 3HZ LYS 28 19.958 -6.760 -8.106 224 H GLY 29 H GLY 29 20.336 -4.222 -1.753 225 1HA GLY 29 2HA GLY 29 22.282 -3.097 -1.314 226 2HA GLY 29 1HA GLY 29 21.924 -2.189 -2.777 227 H SER 30 H SER 30 21.895 -0.083 -2.481 228 HA SER 30 HA SER 30 20.486 0.969 -0.136 229 1HB SER 30 2HB SER 30 23.158 1.984 -1.145 230 2HB SER 30 1HB SER 30 22.201 2.725 0.138 231 HG SER 30 HG SER 30 23.252 0.071 0.175 232 H SER 31 H SER 31 20.059 0.569 -3.112 233 HA SER 31 HA SER 31 20.106 3.175 -4.289 234 1HB SER 31 2HB SER 31 18.661 0.692 -5.230 235 2HB SER 31 1HB SER 31 19.061 2.109 -6.201 236 HG SER 31 HG SER 31 21.334 1.408 -5.217 237 H THR 32 H THR 32 17.360 0.991 -3.604 238 HA THR 32 HA THR 32 15.639 3.360 -3.450 239 HB THR 32 HB THR 32 14.670 0.513 -3.607 240 HG1 THR 32 1HG THR 32 15.470 2.226 -5.757 241 1HG2 THR 32 1HG2 THR 32 13.497 3.155 -4.490 242 2HG2 THR 32 2HG2 THR 32 13.026 2.234 -3.061 243 3HG2 THR 32 3HG2 THR 32 12.726 1.578 -4.672 244 H VAL 33 H VAL 33 15.495 4.059 -1.397 245 HA VAL 33 HA VAL 33 15.002 2.050 0.716 246 HB VAL 33 HB VAL 33 16.129 4.831 1.121 247 1HG1 VAL 33 1HG1 VAL 33 16.648 4.024 3.371 248 2HG1 VAL 33 2HG1 VAL 33 15.901 2.472 2.987 249 3HG1 VAL 33 3HG1 VAL 33 14.918 3.936 3.035 250 1HG2 VAL 33 1HG2 VAL 33 17.753 3.514 -0.109 251 2HG2 VAL 33 2HG2 VAL 33 17.590 2.191 1.045 252 3HG2 VAL 33 3HG2 VAL 33 18.288 3.728 1.557 253 H LEU 34 H LEU 34 12.848 2.031 1.090 254 HA LEU 34 HA LEU 34 11.350 4.533 0.971 255 1HB LEU 34 2HB LEU 34 10.467 1.681 1.362 256 2HB LEU 34 1HB LEU 34 9.377 3.050 1.461 257 HG LEU 34 HG LEU 34 10.310 3.574 -0.941 258 1HD1 LEU 34 1HD1 LEU 34 10.787 1.563 -2.223 259 2HD1 LEU 34 2HD1 LEU 34 10.706 0.590 -0.756 260 3HD1 LEU 34 3HD1 LEU 34 11.983 1.789 -0.948 261 1HD2 LEU 34 1HD2 LEU 34 8.311 1.397 -0.377 262 2HD2 LEU 34 2HD2 LEU 34 8.436 2.335 -1.866 263 3HD2 LEU 34 3HD2 LEU 34 7.997 3.132 -0.353 264 H LYS 35 H LYS 35 10.101 5.262 2.744 265 HA LYS 35 HA LYS 35 11.340 4.536 5.323 266 1HB LYS 35 2HB LYS 35 10.410 7.132 4.156 267 2HB LYS 35 1HB LYS 35 10.382 6.922 5.898 268 1HG LYS 35 2HG LYS 35 12.868 6.338 4.355 269 2HG LYS 35 1HG LYS 35 12.442 8.002 4.776 270 1HD LYS 35 2HD LYS 35 13.504 7.583 6.709 271 2HD LYS 35 1HD LYS 35 12.054 6.667 7.133 272 1HE LYS 35 2HE LYS 35 13.015 4.630 6.487 273 2HE LYS 35 1HE LYS 35 14.385 5.433 5.700 274 1HZ LYS 35 1HZ LYS 35 13.808 5.265 8.606 275 2HZ LYS 35 2HZ LYS 35 14.993 6.286 7.956 276 3HZ LYS 35 3HZ LYS 35 15.134 4.604 7.778 277 H ARG 36 H ARG 36 10.045 4.855 7.205 278 HA ARG 36 HA ARG 36 7.541 3.554 7.049 279 1HB ARG 36 2HB ARG 36 9.268 3.603 8.944 280 2HB ARG 36 1HB ARG 36 8.578 5.166 9.368 281 1HG ARG 36 2HG ARG 36 6.432 4.193 9.786 282 2HG ARG 36 1HG ARG 36 6.985 2.620 9.205 283 1HD ARG 36 2HD ARG 36 8.599 2.513 11.029 284 2HD ARG 36 1HD ARG 36 8.054 4.088 11.612 285 HE ARG 36 HE ARG 36 6.082 1.948 11.398 286 1HH1 ARG 36 1HH1 ARG 36 8.133 3.927 13.432 287 2HH1 ARG 36 2HH1 ARG 36 7.263 3.546 14.893 288 1HH2 ARG 36 1HH2 ARG 36 4.937 1.450 13.310 289 2HH2 ARG 36 2HH2 ARG 36 5.442 2.138 14.819 290 H GLY 37 H GLY 37 5.456 4.374 7.332 291 1HA GLY 37 2HA GLY 37 3.804 5.989 7.577 292 2HA GLY 37 1HA GLY 37 5.058 7.199 7.804 293 H THR 38 H THR 38 5.526 5.280 5.052 294 HA THR 38 HA THR 38 4.785 7.462 3.301 295 HB THR 38 HB THR 38 5.887 4.725 2.605 296 HG1 THR 38 1HG THR 38 7.548 5.665 3.626 297 1HG2 THR 38 1HG2 THR 38 5.740 7.265 0.973 298 2HG2 THR 38 2HG2 THR 38 4.757 5.822 0.722 299 3HG2 THR 38 3HG2 THR 38 6.502 5.758 0.472 300 H MET 39 H MET 39 2.778 7.664 2.524 301 HA MET 39 HA MET 39 0.953 5.430 2.706 302 1HB MET 39 2HB MET 39 0.026 7.485 3.451 303 2HB MET 39 1HB MET 39 0.560 8.333 2.006 304 1HG MET 39 2HG MET 39 -1.057 7.260 0.660 305 2HG MET 39 1HG MET 39 -1.439 6.094 1.925 306 1HE MET 39 1HE MET 39 -3.053 6.531 3.912 307 2HE MET 39 2HE MET 39 -3.426 8.152 4.502 308 3HE MET 39 3HE MET 39 -1.759 7.573 4.504 309 H ILE 40 H ILE 40 0.564 4.107 1.158 310 HA ILE 40 HA ILE 40 1.050 4.951 -1.631 311 HB ILE 40 HB ILE 40 0.923 2.109 -0.603 312 1HG1 ILE 40 2HG1 ILE 40 3.346 3.799 -1.269 313 2HG1 ILE 40 1HG1 ILE 40 2.881 3.255 0.341 314 1HG2 ILE 40 1HG2 ILE 40 0.335 2.321 -2.943 315 2HG2 ILE 40 2HG2 ILE 40 1.926 1.571 -2.795 316 3HG2 ILE 40 3HG2 ILE 40 1.788 3.270 -3.250 317 1HD1 ILE 40 1HD1 ILE 40 3.714 1.500 -1.960 318 2HD1 ILE 40 2HD1 ILE 40 3.218 0.933 -0.364 319 3HD1 ILE 40 3HD1 ILE 40 4.681 1.901 -0.542 320 H ARG 41 H ARG 41 -0.945 5.774 -2.151 321 HA ARG 41 HA ARG 41 -3.247 4.011 -1.692 322 1HB ARG 41 2HB ARG 41 -4.560 6.208 -2.196 323 2HB ARG 41 1HB ARG 41 -3.851 5.949 -0.613 324 1HG ARG 41 2HG ARG 41 -3.339 8.155 -1.117 325 2HG ARG 41 1HG ARG 41 -1.851 7.277 -1.465 326 1HD ARG 41 2HD ARG 41 -2.223 8.848 -3.230 327 2HD ARG 41 1HD ARG 41 -2.529 7.232 -3.867 328 HE ARG 41 HE ARG 41 -4.743 7.785 -4.166 329 1HH1 ARG 41 1HH1 ARG 41 -3.187 10.236 -2.183 330 2HH1 ARG 41 2HH1 ARG 41 -4.519 11.350 -2.299 331 1HH2 ARG 41 1HH2 ARG 41 -6.487 9.266 -4.316 332 2HH2 ARG 41 2HH2 ARG 41 -6.402 10.785 -3.469 333 H GLY 42 H GLY 42 -4.650 3.513 -3.325 334 1HA GLY 42 2HA GLY 42 -5.373 3.447 -5.573 335 2HA GLY 42 1HA GLY 42 -3.933 4.345 -6.039 336 H ILE 43 H ILE 43 -4.205 1.434 -4.050 337 HA ILE 43 HA ILE 43 -2.222 0.158 -5.757 338 HB ILE 43 HB ILE 43 -1.942 -1.485 -4.001 339 1HG1 ILE 43 2HG1 ILE 43 -3.237 -0.822 -1.753 340 2HG1 ILE 43 1HG1 ILE 43 -4.443 -0.272 -2.910 341 1HG2 ILE 43 1HG2 ILE 43 -2.073 1.256 -2.771 342 2HG2 ILE 43 2HG2 ILE 43 -0.804 0.709 -3.862 343 3HG2 ILE 43 3HG2 ILE 43 -1.020 -0.078 -2.297 344 1HD1 ILE 43 1HD1 ILE 43 -4.503 -2.517 -3.890 345 2HD1 ILE 43 2HD1 ILE 43 -4.922 -2.520 -2.176 346 3HD1 ILE 43 3HD1 ILE 43 -3.324 -3.056 -2.695 347 H ARG 44 H ARG 44 -2.536 -2.208 -6.162 348 HA ARG 44 HA ARG 44 -5.341 -2.927 -6.609 349 1HB ARG 44 2HB ARG 44 -4.699 -3.692 -8.918 350 2HB ARG 44 1HB ARG 44 -4.716 -1.946 -8.694 351 1HG ARG 44 2HG ARG 44 -2.331 -1.884 -8.510 352 2HG ARG 44 1HG ARG 44 -2.239 -3.647 -8.545 353 1HD ARG 44 2HD ARG 44 -1.656 -2.776 -10.708 354 2HD ARG 44 1HD ARG 44 -3.202 -3.615 -10.812 355 HE ARG 44 HE ARG 44 -4.151 -1.237 -10.576 356 1HH1 ARG 44 1HH1 ARG 44 -1.092 -1.970 -12.115 357 2HH1 ARG 44 2HH1 ARG 44 -1.260 -0.724 -13.327 358 1HH2 ARG 44 1HH2 ARG 44 -4.357 0.427 -12.109 359 2HH2 ARG 44 2HH2 ARG 44 -3.114 0.655 -13.305 360 H LEU 45 H LEU 45 -5.536 -5.240 -7.270 361 HA LEU 45 HA LEU 45 -3.707 -6.825 -5.644 362 1HB LEU 45 2HB LEU 45 -6.258 -7.669 -7.025 363 2HB LEU 45 1HB LEU 45 -5.358 -8.605 -5.847 364 HG LEU 45 HG LEU 45 -6.925 -6.083 -5.364 365 1HD1 LEU 45 1HD1 LEU 45 -7.230 -8.900 -4.350 366 2HD1 LEU 45 2HD1 LEU 45 -8.271 -8.081 -5.515 367 3HD1 LEU 45 3HD1 LEU 45 -8.207 -7.519 -3.846 368 1HD2 LEU 45 1HD2 LEU 45 -6.264 -6.265 -3.024 369 2HD2 LEU 45 2HD2 LEU 45 -4.869 -5.989 -4.066 370 3HD2 LEU 45 3HD2 LEU 45 -5.188 -7.604 -3.429 371 H THR 46 H THR 46 -2.997 -8.954 -6.486 372 HA THR 46 HA THR 46 -2.613 -8.965 -9.404 373 HB THR 46 HB THR 46 -0.311 -9.844 -9.052 374 HG1 THR 46 1HG THR 46 -0.786 -9.112 -6.327 375 1HG2 THR 46 1HG2 THR 46 -0.618 -7.470 -9.528 376 2HG2 THR 46 2HG2 THR 46 0.737 -7.714 -8.426 377 3HG2 THR 46 3HG2 THR 46 -0.811 -7.138 -7.808 378 H ASP 47 H ASP 47 -1.259 -11.346 -9.664 379 HA ASP 47 HA ASP 47 -3.205 -13.326 -8.918 380 1HB ASP 47 2HB ASP 47 -0.466 -13.601 -10.176 381 2HB ASP 47 1HB ASP 47 -1.557 -14.954 -9.896 382 H SER 48 H SER 48 -0.674 -11.837 -7.355 383 HA SER 48 HA SER 48 -0.092 -14.041 -5.562 384 1HB SER 48 2HB SER 48 0.907 -11.183 -5.651 385 2HB SER 48 1HB SER 48 1.494 -12.432 -4.560 386 HG SER 48 HG SER 48 2.257 -13.587 -6.329 387 H GLU 49 H GLU 49 -0.626 -14.011 -3.367 388 HA GLU 49 HA GLU 49 -2.988 -12.396 -2.727 389 1HB GLU 49 2HB GLU 49 -1.825 -14.594 -1.030 390 2HB GLU 49 1HB GLU 49 -3.482 -14.003 -1.072 391 1HG GLU 49 2HG GLU 49 -3.825 -15.000 -3.230 392 2HG GLU 49 1HG GLU 49 -2.133 -15.484 -3.308 393 H ASP 50 H ASP 50 0.329 -12.692 -2.072 394 HA ASP 50 HA ASP 50 0.145 -11.236 0.470 395 1HB ASP 50 2HB ASP 50 2.520 -12.643 -0.772 396 2HB ASP 50 1HB ASP 50 2.440 -11.974 0.855 397 H GLU 51 H GLU 51 0.507 -10.654 -2.737 398 HA GLU 51 HA GLU 51 2.259 -8.338 -2.304 399 1HB GLU 51 2HB GLU 51 2.199 -10.259 -4.614 400 2HB GLU 51 1HB GLU 51 2.838 -8.639 -4.789 401 1HG GLU 51 2HG GLU 51 4.659 -10.116 -4.444 402 2HG GLU 51 1HG GLU 51 4.466 -9.147 -2.987 403 H ILE 52 H ILE 52 1.760 -6.485 -3.373 404 HA ILE 52 HA ILE 52 -0.615 -6.432 -5.098 405 HB ILE 52 HB ILE 52 -1.329 -4.293 -4.080 406 1HG1 ILE 52 2HG1 ILE 52 0.452 -4.911 -1.739 407 2HG1 ILE 52 1HG1 ILE 52 1.026 -3.923 -3.080 408 1HG2 ILE 52 1HG2 ILE 52 -2.289 -5.235 -1.998 409 2HG2 ILE 52 2HG2 ILE 52 -1.257 -6.650 -2.208 410 3HG2 ILE 52 3HG2 ILE 52 -2.496 -6.276 -3.407 411 1HD1 ILE 52 1HD1 ILE 52 -0.798 -2.358 -2.702 412 2HD1 ILE 52 2HD1 ILE 52 0.217 -2.547 -1.268 413 3HD1 ILE 52 3HD1 ILE 52 -1.359 -3.340 -1.346 414 H GLU 53 H GLU 53 -0.708 -4.199 -6.191 415 HA GLU 53 HA GLU 53 1.998 -3.108 -6.566 416 1HB GLU 53 2HB GLU 53 1.242 -4.425 -8.509 417 2HB GLU 53 1HB GLU 53 -0.180 -3.413 -8.619 418 1HG GLU 53 2HG GLU 53 1.256 -1.463 -9.048 419 2HG GLU 53 1HG GLU 53 2.666 -2.520 -8.999 420 H GLY 54 H GLY 54 2.139 -0.884 -6.418 421 1HA GLY 54 2HA GLY 54 -0.372 0.627 -6.395 422 2HA GLY 54 1HA GLY 54 0.587 0.630 -4.928 423 H ARG 55 H ARG 55 0.242 3.003 -5.659 424 HA ARG 55 HA ARG 55 2.700 3.795 -7.060 425 1HB ARG 55 2HB ARG 55 1.491 5.648 -8.124 426 2HB ARG 55 1HB ARG 55 0.869 4.080 -8.620 427 1HG ARG 55 2HG ARG 55 -0.998 4.339 -7.063 428 2HG ARG 55 1HG ARG 55 -0.394 5.935 -6.619 429 1HD ARG 55 2HD ARG 55 -0.726 6.763 -8.826 430 2HD ARG 55 1HD ARG 55 -1.078 5.151 -9.442 431 HE ARG 55 HE ARG 55 -3.075 5.340 -7.814 432 1HH1 ARG 55 1HH1 ARG 55 -1.670 8.012 -9.575 433 2HH1 ARG 55 2HH1 ARG 55 -3.187 8.834 -9.792 434 1HH2 ARG 55 1HH2 ARG 55 -5.091 6.419 -8.114 435 2HH2 ARG 55 2HH2 ARG 55 -5.114 7.933 -8.972 436 H THR 56 H THR 56 3.704 5.567 -6.253 437 HA THR 56 HA THR 56 2.639 6.667 -3.735 438 HB THR 56 HB THR 56 4.854 6.697 -2.797 439 HG1 THR 56 1HG THR 56 5.753 5.699 -5.309 440 1HG2 THR 56 1HG2 THR 56 5.555 4.325 -2.868 441 2HG2 THR 56 2HG2 THR 56 4.428 4.054 -4.197 442 3HG2 THR 56 3HG2 THR 56 3.818 4.506 -2.602 443 H ASP 57 H ASP 57 4.369 8.647 -3.237 444 HA ASP 57 HA ASP 57 3.885 10.578 -5.310 445 1HB ASP 57 2HB ASP 57 5.445 10.773 -2.723 446 2HB ASP 57 1HB ASP 57 5.144 12.130 -3.802 447 H LYS 58 H LYS 58 6.347 8.341 -4.659 448 HA LYS 58 HA LYS 58 8.248 9.797 -6.372 449 1HB LYS 58 2HB LYS 58 9.162 9.401 -4.159 450 2HB LYS 58 1HB LYS 58 8.741 7.700 -4.250 451 1HG LYS 58 2HG LYS 58 10.366 7.324 -5.960 452 2HG LYS 58 1HG LYS 58 10.693 9.052 -6.086 453 1HD LYS 58 2HD LYS 58 11.621 9.086 -3.857 454 2HD LYS 58 1HD LYS 58 11.168 7.398 -3.608 455 1HE LYS 58 2HE LYS 58 12.713 6.685 -5.319 456 2HE LYS 58 1HE LYS 58 13.094 8.358 -5.723 457 1HZ LYS 58 1HZ LYS 58 14.189 8.657 -3.672 458 2HZ LYS 58 2HZ LYS 58 14.747 7.173 -4.279 459 3HZ LYS 58 3HZ LYS 58 13.597 7.202 -3.036 460 H ILE 59 H ILE 59 7.332 6.500 -5.467 461 HA ILE 59 HA ILE 59 8.101 5.533 -8.132 462 HB ILE 59 HB ILE 59 7.243 3.699 -5.937 463 1HG1 ILE 59 2HG1 ILE 59 9.954 3.813 -5.541 464 2HG1 ILE 59 1HG1 ILE 59 9.553 5.511 -5.788 465 1HG2 ILE 59 1HG2 ILE 59 8.978 2.266 -6.933 466 2HG2 ILE 59 2HG2 ILE 59 9.334 3.542 -8.097 467 3HG2 ILE 59 3HG2 ILE 59 7.749 2.767 -8.095 468 1HD1 ILE 59 1HD1 ILE 59 8.331 3.679 -3.742 469 2HD1 ILE 59 2HD1 ILE 59 7.890 5.366 -4.005 470 3HD1 ILE 59 3HD1 ILE 59 9.510 4.956 -3.441 471 H LYS 60 H LYS 60 6.429 5.489 -9.549 472 HA LYS 60 HA LYS 60 3.764 4.818 -8.490 473 1HB LYS 60 2HB LYS 60 2.948 5.659 -10.726 474 2HB LYS 60 1HB LYS 60 3.655 6.873 -9.668 475 1HG LYS 60 2HG LYS 60 5.600 7.027 -10.945 476 2HG LYS 60 1HG LYS 60 5.278 5.498 -11.763 477 1HD LYS 60 2HD LYS 60 3.483 7.892 -12.063 478 2HD LYS 60 1HD LYS 60 4.885 7.628 -13.105 479 1HE LYS 60 2HE LYS 60 2.637 5.654 -12.725 480 2HE LYS 60 1HE LYS 60 2.743 6.797 -14.063 481 1HZ LYS 60 1HZ LYS 60 3.571 4.594 -14.666 482 2HZ LYS 60 2HZ LYS 60 4.754 4.690 -13.454 483 3HZ LYS 60 3HZ LYS 60 4.797 5.760 -14.764 484 H GLY 61 H GLY 61 3.067 2.825 -8.768 485 1HA GLY 61 2HA GLY 61 2.436 0.950 -9.985 486 2HA GLY 61 1HA GLY 61 3.440 1.499 -11.317 487 H LEU 62 H LEU 62 4.091 0.671 -7.908 488 HA LEU 62 HA LEU 62 6.095 -1.224 -8.915 489 1HB LEU 62 2HB LEU 62 7.488 -0.819 -7.078 490 2HB LEU 62 1HB LEU 62 6.974 0.763 -7.606 491 HG LEU 62 HG LEU 62 5.764 -0.697 -5.262 492 1HD1 LEU 62 1HD1 LEU 62 7.910 1.422 -5.326 493 2HD1 LEU 62 2HD1 LEU 62 8.113 -0.261 -4.837 494 3HD1 LEU 62 3HD1 LEU 62 7.107 0.823 -3.875 495 1HD2 LEU 62 1HD2 LEU 62 5.586 2.175 -6.175 496 2HD2 LEU 62 2HD2 LEU 62 4.965 1.559 -4.644 497 3HD2 LEU 62 3HD2 LEU 62 4.281 0.988 -6.165 498 H VAL 63 H VAL 63 6.086 -3.269 -8.141 499 HA VAL 63 HA VAL 63 3.662 -4.078 -6.732 500 HB VAL 63 HB VAL 63 5.761 -5.803 -8.062 501 1HG1 VAL 63 1HG1 VAL 63 2.980 -6.489 -7.119 502 2HG1 VAL 63 2HG1 VAL 63 4.483 -6.963 -6.326 503 3HG1 VAL 63 3HG1 VAL 63 4.102 -7.581 -7.934 504 1HG2 VAL 63 1HG2 VAL 63 4.138 -6.057 -9.886 505 2HG2 VAL 63 2HG2 VAL 63 4.670 -4.386 -9.703 506 3HG2 VAL 63 3HG2 VAL 63 3.086 -4.878 -9.102 507 H LEU 64 H LEU 64 3.720 -4.374 -4.638 508 HA LEU 64 HA LEU 64 6.246 -5.234 -3.388 509 1HB LEU 64 2HB LEU 64 4.489 -2.932 -2.620 510 2HB LEU 64 1HB LEU 64 5.425 -3.771 -1.401 511 HG LEU 64 HG LEU 64 6.644 -2.522 -3.860 512 1HD1 LEU 64 1HD1 LEU 64 6.424 -1.435 -1.054 513 2HD1 LEU 64 2HD1 LEU 64 5.635 -0.787 -2.495 514 3HD1 LEU 64 3HD1 LEU 64 7.392 -0.736 -2.354 515 1HD2 LEU 64 1HD2 LEU 64 8.006 -4.272 -2.980 516 2HD2 LEU 64 2HD2 LEU 64 7.766 -3.711 -1.326 517 3HD2 LEU 64 3HD2 LEU 64 8.714 -2.742 -2.459 518 H ARG 65 H ARG 65 6.095 -6.713 -1.812 519 HA ARG 65 HA ARG 65 3.737 -8.092 -1.216 520 1HB ARG 65 2HB ARG 65 5.056 -8.740 0.918 521 2HB ARG 65 1HB ARG 65 5.672 -9.256 -0.643 522 1HG ARG 65 2HG ARG 65 7.333 -7.572 -0.631 523 2HG ARG 65 1HG ARG 65 6.622 -6.770 0.763 524 1HD ARG 65 2HD ARG 65 8.679 -8.195 1.198 525 2HD ARG 65 1HD ARG 65 7.277 -8.516 2.217 526 HE ARG 65 HE ARG 65 6.857 -10.497 0.928 527 1HH1 ARG 65 1HH1 ARG 65 9.992 -8.998 0.385 528 2HH1 ARG 65 2HH1 ARG 65 10.674 -10.435 -0.326 529 1HH2 ARG 65 1HH2 ARG 65 7.760 -12.352 0.005 530 2HH2 ARG 65 2HH2 ARG 65 9.419 -12.334 -0.531 531 H THR 66 H THR 66 2.133 -7.736 0.166 532 HA THR 66 HA THR 66 2.051 -5.100 1.391 533 HB THR 66 HB THR 66 0.166 -5.831 -0.008 534 HG1 THR 66 1HG THR 66 -0.564 -5.621 2.741 535 1HG2 THR 66 1HG2 THR 66 -1.362 -7.584 0.785 536 2HG2 THR 66 2HG2 THR 66 -0.241 -7.955 2.095 537 3HG2 THR 66 3HG2 THR 66 0.243 -8.222 0.421 538 H GLU 67 H GLU 67 3.703 -7.302 2.508 539 HA GLU 67 HA GLU 67 2.303 -8.247 4.870 540 1HB GLU 67 2HB GLU 67 5.241 -8.502 4.224 541 2HB GLU 67 1HB GLU 67 4.288 -9.514 5.304 542 1HG GLU 67 2HG GLU 67 2.947 -10.175 3.293 543 2HG GLU 67 1HG GLU 67 4.165 -9.376 2.314 544 H PHE 68 H PHE 68 4.251 -5.689 3.887 545 HA PHE 68 HA PHE 68 4.645 -4.828 6.673 546 1HB PHE 68 2HB PHE 68 6.606 -3.565 5.903 547 2HB PHE 68 1HB PHE 68 6.759 -5.288 5.565 548 HD1 PHE 68 1HD PHE 68 5.996 -2.022 4.009 549 HD2 PHE 68 2HD PHE 68 7.148 -6.068 3.409 550 HE1 PHE 68 1HE PHE 68 6.517 -1.520 1.655 551 HE2 PHE 68 2HE PHE 68 7.671 -5.576 1.057 552 HZ PHE 68 HZ PHE 68 7.357 -3.299 0.177 553 H LEU 69 H LEU 69 2.440 -4.432 4.610 554 HA LEU 69 HA LEU 69 2.424 -1.490 4.680 555 1HB LEU 69 2HB LEU 69 0.882 -3.295 2.823 556 2HB LEU 69 1HB LEU 69 0.872 -1.549 2.803 557 HG LEU 69 HG LEU 69 3.314 -3.229 2.229 558 1HD1 LEU 69 1HD1 LEU 69 1.607 -3.571 0.523 559 2HD1 LEU 69 2HD1 LEU 69 2.951 -2.620 -0.110 560 3HD1 LEU 69 3HD1 LEU 69 1.438 -1.827 0.330 561 1HD2 LEU 69 1HD2 LEU 69 2.748 -0.285 1.907 562 2HD2 LEU 69 2HD2 LEU 69 4.191 -1.113 1.321 563 3HD2 LEU 69 3HD2 LEU 69 3.866 -1.022 3.054 564 H LYS 70 H LYS 70 0.658 -0.467 5.431 565 HA LYS 70 HA LYS 70 -1.320 -2.122 6.862 566 1HB LYS 70 2HB LYS 70 0.390 -0.176 7.862 567 2HB LYS 70 1HB LYS 70 -1.122 0.689 7.645 568 1HG LYS 70 2HG LYS 70 -0.651 -1.774 9.302 569 2HG LYS 70 1HG LYS 70 -1.012 -0.149 9.883 570 1HD LYS 70 2HD LYS 70 -3.030 -1.047 8.033 571 2HD LYS 70 1HD LYS 70 -2.825 -2.206 9.341 572 1HE LYS 70 2HE LYS 70 -4.473 -0.719 10.100 573 2HE LYS 70 1HE LYS 70 -2.995 -0.217 10.919 574 1HZ LYS 70 1HZ LYS 70 -4.221 1.678 10.070 575 2HZ LYS 70 2HZ LYS 70 -4.158 1.051 8.496 576 3HZ LYS 70 3HZ LYS 70 -2.735 1.538 9.272 577 H LYS 71 H LYS 71 -3.366 -1.966 6.120 578 HA LYS 71 HA LYS 71 -4.120 -0.242 4.031 579 1HB LYS 71 2HB LYS 71 -5.282 -2.382 4.842 580 2HB LYS 71 1HB LYS 71 -6.040 -1.378 6.062 581 1HG LYS 71 2HG LYS 71 -6.261 -0.839 3.114 582 2HG LYS 71 1HG LYS 71 -7.412 -1.819 4.014 583 1HD LYS 71 2HD LYS 71 -7.975 0.060 5.421 584 2HD LYS 71 1HD LYS 71 -6.735 1.047 4.647 585 1HE LYS 71 2HE LYS 71 -7.935 0.810 2.504 586 2HE LYS 71 1HE LYS 71 -9.201 -0.091 3.340 587 1HZ LYS 71 1HZ LYS 71 -9.611 1.846 4.723 588 2HZ LYS 71 2HZ LYS 71 -9.814 2.215 3.084 589 3HZ LYS 71 3HZ LYS 71 -8.413 2.717 3.896 590 H ALA 72 H ALA 72 -4.696 1.838 4.011 591 HA ALA 72 HA ALA 72 -4.016 3.375 6.307 592 1HB ALA 72 1HB ALA 72 -4.394 5.310 4.913 593 2HB ALA 72 2HB ALA 72 -5.219 4.315 3.713 594 3HB ALA 72 3HB ALA 72 -3.498 4.083 4.017 595 H GLY 73 H GLY 73 -5.224 4.052 7.903 596 1HA GLY 73 2HA GLY 73 -7.031 4.765 9.121 597 2HA GLY 73 1HA GLY 73 -7.802 5.163 7.593 598 H SER 74 H SER 74 -9.691 4.240 7.398 599 HA SER 74 HA SER 74 -10.047 1.494 8.395 600 1HB SER 74 2HB SER 74 -12.156 3.652 8.085 601 2HB SER 74 1HB SER 74 -12.417 2.027 8.718 602 HG SER 74 HG SER 74 -10.662 2.720 10.293 Start of MODEL 14 1 1H MET 1 1HT MET 1 -12.570 -17.290 -7.329 2 2H MET 1 2HT MET 1 -12.125 -18.677 -6.461 3 3H MET 1 3HT MET 1 -12.364 -18.767 -8.136 4 HA MET 1 HA MET 1 -10.025 -18.772 -7.618 5 1HB MET 1 2HB MET 1 -10.899 -16.143 -8.841 6 2HB MET 1 1HB MET 1 -9.328 -16.904 -9.043 7 1HG MET 1 2HG MET 1 -10.536 -17.328 -11.015 8 2HG MET 1 1HG MET 1 -10.525 -18.838 -10.111 9 1HE MET 1 1HE MET 1 -12.516 -19.769 -11.655 10 2HE MET 1 2HE MET 1 -12.481 -18.252 -12.552 11 3HE MET 1 3HE MET 1 -14.011 -18.876 -11.937 12 H SER 2 H SER 2 -9.376 -18.642 -5.507 13 HA SER 2 HA SER 2 -9.898 -16.248 -3.993 14 1HB SER 2 2HB SER 2 -8.703 -17.545 -2.168 15 2HB SER 2 1HB SER 2 -10.178 -18.275 -2.801 16 HG SER 2 HG SER 2 -7.485 -18.976 -3.379 17 H ILE 3 H ILE 3 -8.666 -14.538 -4.092 18 HA ILE 3 HA ILE 3 -5.803 -14.899 -3.711 19 HB ILE 3 HB ILE 3 -5.281 -12.936 -5.151 20 1HG1 ILE 3 2HG1 ILE 3 -8.028 -13.356 -6.334 21 2HG1 ILE 3 1HG1 ILE 3 -7.633 -12.047 -5.226 22 1HG2 ILE 3 1HG2 ILE 3 -6.480 -15.329 -6.528 23 2HG2 ILE 3 2HG2 ILE 3 -4.827 -15.166 -5.934 24 3HG2 ILE 3 3HG2 ILE 3 -5.384 -14.169 -7.279 25 1HD1 ILE 3 1HD1 ILE 3 -5.942 -11.246 -6.818 26 2HD1 ILE 3 2HD1 ILE 3 -7.573 -11.250 -7.493 27 3HD1 ILE 3 3HD1 ILE 3 -6.431 -12.517 -7.942 28 H GLU 4 H GLU 4 -6.737 -14.592 -1.587 29 HA GLU 4 HA GLU 4 -7.886 -12.026 -0.963 30 1HB GLU 4 2HB GLU 4 -7.160 -14.384 0.768 31 2HB GLU 4 1HB GLU 4 -7.941 -12.923 1.360 32 1HG GLU 4 2HG GLU 4 -9.920 -13.385 0.333 33 2HG GLU 4 1HG GLU 4 -9.162 -14.350 -0.934 34 H VAL 5 H VAL 5 -6.330 -10.542 -1.361 35 HA VAL 5 HA VAL 5 -3.797 -10.685 0.046 36 HB VAL 5 HB VAL 5 -4.794 -8.251 -1.400 37 1HG1 VAL 5 1HG1 VAL 5 -2.077 -9.481 -0.997 38 2HG1 VAL 5 2HG1 VAL 5 -2.728 -8.059 -0.179 39 3HG1 VAL 5 3HG1 VAL 5 -2.401 -8.008 -1.911 40 1HG2 VAL 5 1HG2 VAL 5 -5.224 -10.180 -2.888 41 2HG2 VAL 5 2HG2 VAL 5 -3.522 -10.628 -2.751 42 3HG2 VAL 5 3HG2 VAL 5 -3.974 -9.101 -3.513 43 H ARG 6 H ARG 6 -3.418 -9.734 1.979 44 HA ARG 6 HA ARG 6 -5.386 -7.792 2.975 45 1HB ARG 6 2HB ARG 6 -4.240 -9.990 4.704 46 2HB ARG 6 1HB ARG 6 -5.482 -8.829 5.139 47 1HG ARG 6 2HG ARG 6 -6.932 -10.438 4.650 48 2HG ARG 6 1HG ARG 6 -6.569 -10.088 2.960 49 1HD ARG 6 2HD ARG 6 -4.924 -11.814 2.880 50 2HD ARG 6 1HD ARG 6 -5.022 -12.067 4.621 51 HE ARG 6 HE ARG 6 -7.462 -12.522 3.104 52 1HH1 ARG 6 1HH1 ARG 6 -4.627 -13.884 4.634 53 2HH1 ARG 6 2HH1 ARG 6 -5.280 -15.491 4.717 54 1HH2 ARG 6 1HH2 ARG 6 -8.341 -14.666 3.200 55 2HH2 ARG 6 2HH2 ARG 6 -7.379 -15.933 3.907 56 H ASP 7 H ASP 7 -4.564 -6.453 4.750 57 HA ASP 7 HA ASP 7 -1.831 -5.669 4.263 58 1HB ASP 7 2HB ASP 7 -2.316 -3.723 5.429 59 2HB ASP 7 1HB ASP 7 -3.915 -4.169 4.856 60 H CYS 8 H CYS 8 -0.816 -4.862 6.617 61 HA CYS 8 HA CYS 8 0.333 -7.158 7.702 62 1HB CYS 8 2HB CYS 8 1.228 -5.652 9.441 63 2HB CYS 8 1HB CYS 8 1.404 -4.982 7.824 64 HG CYS 8 HG CYS 8 -1.329 -3.693 8.536 65 H ASN 9 H ASN 9 -2.587 -5.435 8.654 66 HA ASN 9 HA ASN 9 -2.817 -6.902 11.132 67 1HB ASN 9 2HB ASN 9 -4.603 -4.946 9.698 68 2HB ASN 9 1HB ASN 9 -5.112 -5.796 11.140 69 1HD2 ASN 9 1HD2 ASN 9 -2.321 -5.704 12.202 70 2HD2 ASN 9 2HD2 ASN 9 -2.127 -4.087 12.785 71 H GLY 10 H GLY 10 -4.318 -6.863 7.942 72 1HA GLY 10 2HA GLY 10 -4.768 -9.232 7.152 73 2HA GLY 10 1HA GLY 10 -5.686 -9.387 8.643 74 H ALA 11 H ALA 11 -5.834 -6.306 7.183 75 HA ALA 11 HA ALA 11 -8.616 -6.683 6.513 76 1HB ALA 11 1HB ALA 11 -7.923 -4.590 7.520 77 2HB ALA 11 2HB ALA 11 -8.537 -4.294 5.893 78 3HB ALA 11 3HB ALA 11 -6.800 -4.294 6.194 79 H LEU 12 H LEU 12 -9.388 -7.195 4.595 80 HA LEU 12 HA LEU 12 -7.682 -7.997 2.498 81 1HB LEU 12 2HB LEU 12 -10.652 -7.642 2.737 82 2HB LEU 12 1HB LEU 12 -9.910 -8.122 1.220 83 HG LEU 12 HG LEU 12 -9.376 -9.673 3.742 84 1HD1 LEU 12 1HD1 LEU 12 -11.671 -10.082 1.813 85 2HD1 LEU 12 2HD1 LEU 12 -11.815 -9.553 3.488 86 3HD1 LEU 12 3HD1 LEU 12 -11.215 -11.171 3.122 87 1HD2 LEU 12 1HD2 LEU 12 -8.963 -11.468 2.135 88 2HD2 LEU 12 2HD2 LEU 12 -7.950 -10.064 1.798 89 3HD2 LEU 12 3HD2 LEU 12 -9.372 -10.382 0.807 90 H LEU 13 H LEU 13 -6.944 -7.003 0.778 91 HA LEU 13 HA LEU 13 -7.612 -4.181 0.374 92 1HB LEU 13 2HB LEU 13 -5.330 -5.887 -0.633 93 2HB LEU 13 1HB LEU 13 -5.574 -4.212 -1.086 94 HG LEU 13 HG LEU 13 -5.153 -5.112 1.759 95 1HD1 LEU 13 1HD1 LEU 13 -3.184 -5.669 0.455 96 2HD1 LEU 13 2HD1 LEU 13 -2.857 -4.278 1.490 97 3HD1 LEU 13 3HD1 LEU 13 -3.156 -4.044 -0.232 98 1HD2 LEU 13 1HD2 LEU 13 -4.662 -2.747 2.133 99 2HD2 LEU 13 2HD2 LEU 13 -6.293 -2.970 1.500 100 3HD2 LEU 13 3HD2 LEU 13 -5.004 -2.404 0.435 101 H ALA 14 H ALA 14 -7.712 -3.451 -1.908 102 HA ALA 14 HA ALA 14 -8.429 -5.417 -3.894 103 1HB ALA 14 1HB ALA 14 -10.516 -5.164 -2.623 104 2HB ALA 14 2HB ALA 14 -10.674 -4.578 -4.280 105 3HB ALA 14 3HB ALA 14 -10.495 -3.431 -2.951 106 H ASP 15 H ASP 15 -9.326 -4.101 -5.909 107 HA ASP 15 HA ASP 15 -7.271 -2.295 -6.665 108 1HB ASP 15 2HB ASP 15 -8.371 -3.661 -8.336 109 2HB ASP 15 1HB ASP 15 -9.928 -2.934 -7.962 110 H GLY 16 H GLY 16 -7.068 -0.276 -5.996 111 1HA GLY 16 2HA GLY 16 -7.850 1.991 -6.065 112 2HA GLY 16 1HA GLY 16 -9.484 1.395 -5.812 113 H ASP 17 H ASP 17 -7.164 -0.140 -3.873 114 HA ASP 17 HA ASP 17 -8.168 1.257 -1.517 115 1HB ASP 17 2HB ASP 17 -7.777 -1.361 -1.884 116 2HB ASP 17 1HB ASP 17 -6.169 -0.946 -1.308 117 H ASN 18 H ASN 18 -6.397 1.542 0.274 118 HA ASN 18 HA ASN 18 -3.915 2.532 -0.920 119 1HB ASN 18 2HB ASN 18 -4.021 4.494 0.626 120 2HB ASN 18 1HB ASN 18 -5.192 4.519 -0.678 121 1HD2 ASN 18 1HD2 ASN 18 -5.351 6.045 1.579 122 2HD2 ASN 18 2HD2 ASN 18 -6.737 5.586 2.513 123 H VAL 19 H VAL 19 -2.125 2.210 0.207 124 HA VAL 19 HA VAL 19 -2.375 1.081 2.913 125 HB VAL 19 HB VAL 19 -0.468 -0.409 2.441 126 1HG1 VAL 19 1HG1 VAL 19 -2.766 -0.791 0.529 127 2HG1 VAL 19 2HG1 VAL 19 -2.749 -1.258 2.229 128 3HG1 VAL 19 3HG1 VAL 19 -1.660 -2.045 1.088 129 1HG2 VAL 19 1HG2 VAL 19 -0.795 0.473 -0.425 130 2HG2 VAL 19 2HG2 VAL 19 0.296 -0.784 0.161 131 3HG2 VAL 19 3HG2 VAL 19 0.551 0.896 0.634 132 H SER 20 H SER 20 -0.071 1.054 3.949 133 HA SER 20 HA SER 20 1.662 3.190 3.052 134 1HB SER 20 2HB SER 20 0.295 3.320 5.746 135 2HB SER 20 1HB SER 20 1.589 4.391 5.218 136 HG SER 20 HG SER 20 -0.484 4.253 3.442 137 H LEU 21 H LEU 21 3.684 3.236 4.166 138 HA LEU 21 HA LEU 21 4.739 0.685 4.786 139 1HB LEU 21 2HB LEU 21 5.738 3.496 4.830 140 2HB LEU 21 1HB LEU 21 6.671 2.276 5.668 141 HG LEU 21 HG LEU 21 7.445 2.773 3.353 142 1HD1 LEU 21 1HD1 LEU 21 7.671 0.385 2.709 143 2HD1 LEU 21 2HD1 LEU 21 6.546 -0.017 4.009 144 3HD1 LEU 21 3HD1 LEU 21 8.097 0.735 4.383 145 1HD2 LEU 21 1HD2 LEU 21 4.887 1.391 2.551 146 2HD2 LEU 21 2HD2 LEU 21 6.205 1.845 1.470 147 3HD2 LEU 21 3HD2 LEU 21 5.268 3.094 2.291 148 H ILE 22 H ILE 22 4.810 -0.404 6.675 149 HA ILE 22 HA ILE 22 3.996 1.009 9.116 150 HB ILE 22 HB ILE 22 3.804 -1.146 10.183 151 1HG1 ILE 22 2HG1 ILE 22 4.850 -2.372 7.621 152 2HG1 ILE 22 1HG1 ILE 22 5.784 -2.197 9.103 153 1HG2 ILE 22 1HG2 ILE 22 1.906 -0.472 8.886 154 2HG2 ILE 22 2HG2 ILE 22 2.117 -2.216 8.719 155 3HG2 ILE 22 3HG2 ILE 22 2.621 -1.137 7.418 156 1HD1 ILE 22 1HD1 ILE 22 3.273 -3.829 8.793 157 2HD1 ILE 22 2HD1 ILE 22 4.229 -3.666 10.265 158 3HD1 ILE 22 3HD1 ILE 22 4.920 -4.457 8.848 159 H LYS 23 H LYS 23 6.782 0.204 7.509 160 HA LYS 23 HA LYS 23 8.387 0.784 9.882 161 1HB LYS 23 2HB LYS 23 9.197 -1.359 7.916 162 2HB LYS 23 1HB LYS 23 9.971 -0.949 9.436 163 1HG LYS 23 2HG LYS 23 8.262 -1.960 10.693 164 2HG LYS 23 1HG LYS 23 7.191 -2.061 9.289 165 1HD LYS 23 2HD LYS 23 8.217 -4.231 9.865 166 2HD LYS 23 1HD LYS 23 8.635 -3.672 8.245 167 1HE LYS 23 2HE LYS 23 10.811 -3.041 8.922 168 2HE LYS 23 1HE LYS 23 10.410 -3.225 10.625 169 1HZ LYS 23 1HZ LYS 23 10.189 -5.596 10.300 170 2HZ LYS 23 2HZ LYS 23 11.725 -5.083 9.794 171 3HZ LYS 23 3HZ LYS 23 10.529 -5.436 8.644 172 H ASP 24 H ASP 24 10.804 0.885 8.915 173 HA ASP 24 HA ASP 24 10.666 2.591 6.540 174 1HB ASP 24 2HB ASP 24 13.136 2.104 8.193 175 2HB ASP 24 1HB ASP 24 12.771 3.470 7.152 176 H LEU 25 H LEU 25 10.525 1.178 4.864 177 HA LEU 25 HA LEU 25 12.419 -1.067 4.775 178 1HB LEU 25 2HB LEU 25 9.825 -0.598 3.311 179 2HB LEU 25 1HB LEU 25 10.935 -1.881 2.885 180 HG LEU 25 HG LEU 25 9.208 -2.852 4.169 181 1HD1 LEU 25 1HD1 LEU 25 10.371 -3.705 6.153 182 2HD1 LEU 25 2HD1 LEU 25 11.605 -2.460 5.949 183 3HD1 LEU 25 3HD1 LEU 25 11.401 -3.708 4.719 184 1HD2 LEU 25 1HD2 LEU 25 9.670 -0.670 6.177 185 2HD2 LEU 25 2HD2 LEU 25 8.665 -2.091 6.457 186 3HD2 LEU 25 3HD2 LEU 25 8.232 -0.943 5.194 187 H LYS 26 H LYS 26 14.198 -0.609 3.725 188 HA LYS 26 HA LYS 26 14.167 1.317 1.558 189 1HB LYS 26 2HB LYS 26 15.965 1.444 3.171 190 2HB LYS 26 1HB LYS 26 16.384 -0.222 2.862 191 1HG LYS 26 2HG LYS 26 16.473 1.606 0.547 192 2HG LYS 26 1HG LYS 26 17.716 1.805 1.784 193 1HD LYS 26 2HD LYS 26 17.063 -0.773 0.351 194 2HD LYS 26 1HD LYS 26 18.433 0.281 -0.010 195 1HE LYS 26 2HE LYS 26 19.429 -0.147 2.102 196 2HE LYS 26 1HE LYS 26 17.971 -0.926 2.709 197 1HZ LYS 26 1HZ LYS 26 18.323 -2.668 0.994 198 2HZ LYS 26 2HZ LYS 26 19.535 -2.607 2.178 199 3HZ LYS 26 3HZ LYS 26 19.825 -1.964 0.634 200 H LEU 27 H LEU 27 14.330 0.883 -0.486 201 HA LEU 27 HA LEU 27 14.337 -1.903 -1.388 202 1HB LEU 27 2HB LEU 27 13.372 0.653 -2.670 203 2HB LEU 27 1HB LEU 27 13.429 -0.872 -3.510 204 HG LEU 27 HG LEU 27 11.728 -0.228 -1.110 205 1HD1 LEU 27 1HD1 LEU 27 10.940 0.782 -3.179 206 2HD1 LEU 27 2HD1 LEU 27 9.873 -0.526 -2.671 207 3HD1 LEU 27 3HD1 LEU 27 11.019 -0.784 -3.986 208 1HD2 LEU 27 1HD2 LEU 27 12.471 -2.547 -1.026 209 2HD2 LEU 27 2HD2 LEU 27 11.951 -2.787 -2.694 210 3HD2 LEU 27 3HD2 LEU 27 10.759 -2.455 -1.438 211 H LYS 28 H LYS 28 15.791 -2.574 -2.953 212 HA LYS 28 HA LYS 28 18.262 -1.133 -3.038 213 1HB LYS 28 2HB LYS 28 18.077 -3.630 -3.033 214 2HB LYS 28 1HB LYS 28 17.448 -3.541 -4.671 215 1HG LYS 28 2HG LYS 28 19.510 -2.680 -5.500 216 2HG LYS 28 1HG LYS 28 20.142 -2.476 -3.865 217 1HD LYS 28 2HD LYS 28 20.016 -4.927 -3.554 218 2HD LYS 28 1HD LYS 28 19.484 -5.087 -5.227 219 1HE LYS 28 2HE LYS 28 22.078 -3.785 -4.426 220 2HE LYS 28 1HE LYS 28 21.934 -5.495 -4.823 221 1HZ LYS 28 1HZ LYS 28 21.114 -3.329 -6.680 222 2HZ LYS 28 2HZ LYS 28 21.314 -4.977 -7.028 223 3HZ LYS 28 3HZ LYS 28 22.664 -4.015 -6.676 224 H GLY 29 H GLY 29 15.540 -1.575 -5.190 225 1HA GLY 29 2HA GLY 29 16.702 -0.466 -7.522 226 2HA GLY 29 1HA GLY 29 14.981 -0.571 -7.175 227 H SER 30 H SER 30 17.517 1.491 -7.692 228 HA SER 30 HA SER 30 17.750 3.740 -7.664 229 1HB SER 30 2HB SER 30 15.393 3.685 -8.496 230 2HB SER 30 1HB SER 30 14.837 3.818 -6.828 231 HG SER 30 HG SER 30 15.925 5.733 -8.511 232 H SER 31 H SER 31 17.780 1.942 -5.137 233 HA SER 31 HA SER 31 18.193 2.120 -2.908 234 1HB SER 31 2HB SER 31 19.000 4.958 -3.590 235 2HB SER 31 1HB SER 31 19.541 4.008 -2.206 236 HG SER 31 HG SER 31 20.912 2.967 -3.440 237 H THR 32 H THR 32 15.542 2.603 -3.713 238 HA THR 32 HA THR 32 14.470 4.977 -2.577 239 HB THR 32 HB THR 32 13.076 2.393 -3.306 240 HG1 THR 32 1HG THR 32 13.718 3.012 -5.238 241 1HG2 THR 32 1HG2 THR 32 11.698 3.823 -1.895 242 2HG2 THR 32 2HG2 THR 32 11.080 3.798 -3.547 243 3HG2 THR 32 3HG2 THR 32 11.994 5.193 -2.968 244 H VAL 33 H VAL 33 14.755 5.269 -0.404 245 HA VAL 33 HA VAL 33 14.293 3.024 1.407 246 HB VAL 33 HB VAL 33 14.991 5.859 2.188 247 1HG1 VAL 33 1HG1 VAL 33 14.090 4.401 3.951 248 2HG1 VAL 33 2HG1 VAL 33 15.776 4.832 4.242 249 3HG1 VAL 33 3HG1 VAL 33 15.370 3.230 3.620 250 1HG2 VAL 33 1HG2 VAL 33 16.894 3.576 1.673 251 2HG2 VAL 33 2HG2 VAL 33 17.322 5.181 2.268 252 3HG2 VAL 33 3HG2 VAL 33 16.686 4.985 0.634 253 H LEU 34 H LEU 34 12.173 2.634 1.637 254 HA LEU 34 HA LEU 34 10.253 4.798 1.685 255 1HB LEU 34 2HB LEU 34 9.904 1.815 1.983 256 2HB LEU 34 1HB LEU 34 8.603 2.975 1.870 257 HG LEU 34 HG LEU 34 10.628 2.725 -0.304 258 1HD1 LEU 34 1HD1 LEU 34 9.132 1.204 -1.464 259 2HD1 LEU 34 2HD1 LEU 34 8.044 1.196 -0.075 260 3HD1 LEU 34 3HD1 LEU 34 9.661 0.502 0.066 261 1HD2 LEU 34 1HD2 LEU 34 8.837 3.676 -1.656 262 2HD2 LEU 34 2HD2 LEU 34 9.222 4.716 -0.283 263 3HD2 LEU 34 3HD2 LEU 34 7.781 3.697 -0.244 264 H LYS 35 H LYS 35 10.642 5.910 3.547 265 HA LYS 35 HA LYS 35 11.087 4.756 6.085 266 1HB LYS 35 2HB LYS 35 10.252 7.485 5.148 267 2HB LYS 35 1HB LYS 35 10.331 7.110 6.860 268 1HG LYS 35 2HG LYS 35 12.662 6.664 5.028 269 2HG LYS 35 1HG LYS 35 12.364 8.218 5.812 270 1HD LYS 35 2HD LYS 35 12.756 5.563 7.193 271 2HD LYS 35 1HD LYS 35 13.937 6.872 7.102 272 1HE LYS 35 2HE LYS 35 12.433 8.329 8.362 273 2HE LYS 35 1HE LYS 35 11.220 7.044 8.414 274 1HZ LYS 35 1HZ LYS 35 12.600 5.734 9.774 275 2HZ LYS 35 2HZ LYS 35 12.604 7.285 10.456 276 3HZ LYS 35 3HZ LYS 35 13.940 6.750 9.559 277 H ARG 36 H ARG 36 9.730 4.887 7.936 278 HA ARG 36 HA ARG 36 7.238 3.674 7.600 279 1HB ARG 36 2HB ARG 36 8.676 3.571 9.631 280 2HB ARG 36 1HB ARG 36 8.224 5.228 9.991 281 1HG ARG 36 2HG ARG 36 6.001 4.652 10.450 282 2HG ARG 36 1HG ARG 36 6.169 3.064 9.694 283 1HD ARG 36 2HD ARG 36 7.402 2.209 11.462 284 2HD ARG 36 1HD ARG 36 7.861 3.809 12.031 285 HE ARG 36 HE ARG 36 5.441 4.056 12.676 286 1HH1 ARG 36 1HH1 ARG 36 6.965 0.915 12.499 287 2HH1 ARG 36 2HH1 ARG 36 5.970 0.211 13.738 288 1HH2 ARG 36 1HH2 ARG 36 4.141 3.133 14.325 289 2HH2 ARG 36 2HH2 ARG 36 4.375 1.477 14.771 290 H GLY 37 H GLY 37 5.245 4.427 7.290 291 1HA GLY 37 2HA GLY 37 3.507 6.034 7.581 292 2HA GLY 37 1HA GLY 37 4.730 7.285 7.729 293 H THR 38 H THR 38 5.891 5.631 5.227 294 HA THR 38 HA THR 38 5.076 7.420 3.227 295 HB THR 38 HB THR 38 6.121 4.591 2.871 296 HG1 THR 38 1HG THR 38 7.691 5.738 3.914 297 1HG2 THR 38 1HG2 THR 38 5.087 5.432 0.823 298 2HG2 THR 38 2HG2 THR 38 6.842 5.367 0.649 299 3HG2 THR 38 3HG2 THR 38 6.039 6.913 0.931 300 H MET 39 H MET 39 3.068 7.666 2.459 301 HA MET 39 HA MET 39 1.216 5.440 2.618 302 1HB MET 39 2HB MET 39 0.267 7.440 3.433 303 2HB MET 39 1HB MET 39 0.854 8.374 2.064 304 1HG MET 39 2HG MET 39 -0.738 7.414 0.603 305 2HG MET 39 1HG MET 39 -1.176 6.178 1.778 306 1HE MET 39 1HE MET 39 -3.013 6.396 3.486 307 2HE MET 39 2HE MET 39 -3.452 7.920 4.262 308 3HE MET 39 3HE MET 39 -1.808 7.297 4.407 309 H ILE 40 H ILE 40 0.991 4.115 1.037 310 HA ILE 40 HA ILE 40 1.378 5.050 -1.729 311 HB ILE 40 HB ILE 40 1.341 2.215 -0.660 312 1HG1 ILE 40 2HG1 ILE 40 3.645 3.902 -1.672 313 2HG1 ILE 40 1HG1 ILE 40 3.351 3.474 0.011 314 1HG2 ILE 40 1HG2 ILE 40 1.885 3.265 -3.435 315 2HG2 ILE 40 2HG2 ILE 40 0.503 2.293 -2.928 316 3HG2 ILE 40 3HG2 ILE 40 2.123 1.595 -2.919 317 1HD1 ILE 40 1HD1 ILE 40 3.987 1.560 -2.223 318 2HD1 ILE 40 2HD1 ILE 40 3.667 1.112 -0.547 319 3HD1 ILE 40 3HD1 ILE 40 5.083 2.084 -0.945 320 H ARG 41 H ARG 41 -0.621 5.923 -2.155 321 HA ARG 41 HA ARG 41 -2.941 4.244 -1.550 322 1HB ARG 41 2HB ARG 41 -4.198 6.495 -2.023 323 2HB ARG 41 1HB ARG 41 -3.436 6.192 -0.479 324 1HG ARG 41 2HG ARG 41 -2.838 8.368 -0.932 325 2HG ARG 41 1HG ARG 41 -1.420 7.459 -1.444 326 1HD ARG 41 2HD ARG 41 -3.503 8.023 -3.483 327 2HD ARG 41 1HD ARG 41 -2.517 9.375 -2.931 328 HE ARG 41 HE ARG 41 -1.621 7.039 -4.437 329 1HH1 ARG 41 1HH1 ARG 41 -0.813 10.030 -2.784 330 2HH1 ARG 41 2HH1 ARG 41 0.734 10.180 -3.558 331 1HH2 ARG 41 1HH2 ARG 41 0.390 7.267 -5.479 332 2HH2 ARG 41 2HH2 ARG 41 1.412 8.613 -5.099 333 H GLY 42 H GLY 42 -4.427 3.686 -3.061 334 1HA GLY 42 2HA GLY 42 -5.357 3.598 -5.224 335 2HA GLY 42 1HA GLY 42 -3.985 4.518 -5.829 336 H ILE 43 H ILE 43 -4.252 1.505 -3.965 337 HA ILE 43 HA ILE 43 -2.298 0.277 -5.759 338 HB ILE 43 HB ILE 43 -2.016 -1.444 -4.095 339 1HG1 ILE 43 2HG1 ILE 43 -3.330 -0.883 -1.815 340 2HG1 ILE 43 1HG1 ILE 43 -4.535 -0.326 -2.969 341 1HG2 ILE 43 1HG2 ILE 43 -0.846 0.704 -3.781 342 2HG2 ILE 43 2HG2 ILE 43 -1.136 -0.147 -2.262 343 3HG2 ILE 43 3HG2 ILE 43 -2.145 1.228 -2.711 344 1HD1 ILE 43 1HD1 ILE 43 -3.348 -3.088 -2.840 345 2HD1 ILE 43 2HD1 ILE 43 -4.551 -2.538 -4.008 346 3HD1 ILE 43 3HD1 ILE 43 -4.954 -2.613 -2.292 347 H ARG 44 H ARG 44 -2.715 -2.111 -6.199 348 HA ARG 44 HA ARG 44 -5.527 -2.820 -6.436 349 1HB ARG 44 2HB ARG 44 -5.240 -3.378 -8.863 350 2HB ARG 44 1HB ARG 44 -5.208 -1.656 -8.513 351 1HG ARG 44 2HG ARG 44 -2.807 -1.618 -8.692 352 2HG ARG 44 1HG ARG 44 -2.767 -3.368 -8.917 353 1HD ARG 44 2HD ARG 44 -4.122 -3.078 -10.978 354 2HD ARG 44 1HD ARG 44 -3.994 -1.331 -10.773 355 HE ARG 44 HE ARG 44 -1.430 -1.970 -10.787 356 1HH1 ARG 44 1HH1 ARG 44 -4.010 -3.130 -12.873 357 2HH1 ARG 44 2HH1 ARG 44 -2.946 -3.458 -14.198 358 1HH2 ARG 44 1HH2 ARG 44 -0.044 -2.439 -12.505 359 2HH2 ARG 44 2HH2 ARG 44 -0.686 -3.062 -14.000 360 H LEU 45 H LEU 45 -5.834 -5.076 -6.942 361 HA LEU 45 HA LEU 45 -3.781 -6.724 -5.801 362 1HB LEU 45 2HB LEU 45 -6.332 -7.603 -7.155 363 2HB LEU 45 1HB LEU 45 -5.330 -8.561 -6.083 364 HG LEU 45 HG LEU 45 -7.041 -6.201 -5.347 365 1HD1 LEU 45 1HD1 LEU 45 -8.181 -7.826 -3.921 366 2HD1 LEU 45 2HD1 LEU 45 -7.134 -9.096 -4.554 367 3HD1 LEU 45 3HD1 LEU 45 -8.261 -8.266 -5.627 368 1HD2 LEU 45 1HD2 LEU 45 -5.204 -7.762 -3.554 369 2HD2 LEU 45 2HD2 LEU 45 -6.298 -6.466 -3.071 370 3HD2 LEU 45 3HD2 LEU 45 -4.921 -6.116 -4.118 371 H THR 46 H THR 46 -2.398 -8.074 -6.832 372 HA THR 46 HA THR 46 -2.038 -7.589 -9.663 373 HB THR 46 HB THR 46 0.068 -8.962 -9.300 374 HG1 THR 46 1HG THR 46 0.267 -8.635 -6.678 375 1HG2 THR 46 1HG2 THR 46 -0.320 -6.489 -7.612 376 2HG2 THR 46 2HG2 THR 46 0.117 -6.523 -9.322 377 3HG2 THR 46 3HG2 THR 46 1.233 -7.157 -8.111 378 H ASP 47 H ASP 47 -1.729 -10.427 -7.727 379 HA ASP 47 HA ASP 47 -3.542 -12.148 -8.950 380 1HB ASP 47 2HB ASP 47 -2.113 -11.853 -10.969 381 2HB ASP 47 1HB ASP 47 -0.719 -12.401 -10.046 382 H SER 48 H SER 48 -0.439 -11.602 -7.512 383 HA SER 48 HA SER 48 -0.321 -13.945 -5.912 384 1HB SER 48 2HB SER 48 0.950 -11.216 -5.570 385 2HB SER 48 1HB SER 48 1.445 -12.671 -4.724 386 HG SER 48 HG SER 48 1.809 -13.576 -6.898 387 H GLU 49 H GLU 49 -0.992 -14.219 -3.775 388 HA GLU 49 HA GLU 49 -2.945 -12.299 -2.762 389 1HB GLU 49 2HB GLU 49 -2.018 -14.778 -1.317 390 2HB GLU 49 1HB GLU 49 -3.549 -13.928 -1.159 391 1HG GLU 49 2HG GLU 49 -4.087 -14.638 -3.485 392 2HG GLU 49 1HG GLU 49 -2.629 -15.628 -3.448 393 H ASP 50 H ASP 50 0.310 -13.080 -2.537 394 HA ASP 50 HA ASP 50 0.746 -12.068 0.151 395 1HB ASP 50 2HB ASP 50 2.728 -13.049 -1.916 396 2HB ASP 50 1HB ASP 50 3.061 -12.771 -0.211 397 H GLU 51 H GLU 51 0.739 -10.942 -3.057 398 HA GLU 51 HA GLU 51 2.286 -8.555 -2.323 399 1HB GLU 51 2HB GLU 51 2.543 -10.332 -4.684 400 2HB GLU 51 1HB GLU 51 2.746 -8.622 -4.944 401 1HG GLU 51 2HG GLU 51 4.899 -9.476 -4.626 402 2HG GLU 51 1HG GLU 51 4.482 -8.665 -3.120 403 H ILE 52 H ILE 52 1.711 -6.651 -3.330 404 HA ILE 52 HA ILE 52 -0.628 -6.678 -5.105 405 HB ILE 52 HB ILE 52 -1.310 -4.462 -4.125 406 1HG1 ILE 52 2HG1 ILE 52 0.250 -5.254 -1.684 407 2HG1 ILE 52 1HG1 ILE 52 0.980 -4.254 -2.936 408 1HG2 ILE 52 1HG2 ILE 52 -1.476 -6.826 -2.274 409 2HG2 ILE 52 2HG2 ILE 52 -2.546 -6.494 -3.637 410 3HG2 ILE 52 3HG2 ILE 52 -2.528 -5.409 -2.245 411 1HD1 ILE 52 1HD1 ILE 52 0.088 -2.900 -1.136 412 2HD1 ILE 52 2HD1 ILE 52 -1.512 -3.600 -1.384 413 3HD1 ILE 52 3HD1 ILE 52 -0.781 -2.600 -2.641 414 H GLU 53 H GLU 53 -0.779 -4.384 -6.146 415 HA GLU 53 HA GLU 53 1.919 -3.269 -6.492 416 1HB GLU 53 2HB GLU 53 1.095 -4.485 -8.511 417 2HB GLU 53 1HB GLU 53 -0.259 -3.377 -8.563 418 1HG GLU 53 2HG GLU 53 1.654 -1.566 -8.555 419 2HG GLU 53 1HG GLU 53 2.593 -2.902 -9.215 420 H GLY 54 H GLY 54 2.048 -1.057 -6.362 421 1HA GLY 54 2HA GLY 54 -0.455 0.453 -6.288 422 2HA GLY 54 1HA GLY 54 0.559 0.503 -4.857 423 H ARG 55 H ARG 55 0.509 2.820 -5.356 424 HA ARG 55 HA ARG 55 2.790 3.529 -7.007 425 1HB ARG 55 2HB ARG 55 1.476 5.375 -8.074 426 2HB ARG 55 1HB ARG 55 1.036 3.754 -8.593 427 1HG ARG 55 2HG ARG 55 -0.829 3.836 -6.931 428 2HG ARG 55 1HG ARG 55 -0.456 5.544 -6.706 429 1HD ARG 55 2HD ARG 55 -1.004 6.069 -8.927 430 2HD ARG 55 1HD ARG 55 -0.993 4.375 -9.414 431 HE ARG 55 HE ARG 55 -2.974 4.228 -7.775 432 1HH1 ARG 55 1HH1 ARG 55 -2.266 6.955 -9.851 433 2HH1 ARG 55 2HH1 ARG 55 -3.925 7.464 -9.962 434 1HH2 ARG 55 1HH2 ARG 55 -5.158 4.900 -7.928 435 2HH2 ARG 55 2HH2 ARG 55 -5.557 6.312 -8.849 436 H THR 56 H THR 56 3.858 5.254 -6.285 437 HA THR 56 HA THR 56 2.702 6.766 -4.055 438 HB THR 56 HB THR 56 4.186 5.023 -3.113 439 HG1 THR 56 1HG THR 56 4.041 7.207 -2.187 440 1HG2 THR 56 1HG2 THR 56 5.716 4.816 -5.036 441 2HG2 THR 56 2HG2 THR 56 6.576 5.055 -3.513 442 3HG2 THR 56 3HG2 THR 56 6.392 6.396 -4.641 443 H ASP 57 H ASP 57 4.674 8.539 -3.570 444 HA ASP 57 HA ASP 57 4.265 10.312 -5.738 445 1HB ASP 57 2HB ASP 57 6.066 10.604 -3.326 446 2HB ASP 57 1HB ASP 57 5.603 11.908 -4.419 447 H LYS 58 H LYS 58 7.024 8.359 -4.741 448 HA LYS 58 HA LYS 58 8.734 9.564 -6.734 449 1HB LYS 58 2HB LYS 58 9.662 8.708 -4.592 450 2HB LYS 58 1HB LYS 58 9.244 7.077 -5.102 451 1HG LYS 58 2HG LYS 58 10.706 7.359 -7.075 452 2HG LYS 58 1HG LYS 58 11.182 8.940 -6.458 453 1HD LYS 58 2HD LYS 58 12.119 7.900 -4.466 454 2HD LYS 58 1HD LYS 58 11.593 6.312 -5.034 455 1HE LYS 58 2HE LYS 58 13.012 6.627 -7.051 456 2HE LYS 58 1HE LYS 58 13.606 8.131 -6.351 457 1HZ LYS 58 1HZ LYS 58 15.115 6.268 -5.976 458 2HZ LYS 58 2HZ LYS 58 13.905 5.440 -5.126 459 3HZ LYS 58 3HZ LYS 58 14.529 6.894 -4.512 460 H ILE 59 H ILE 59 7.125 6.437 -6.294 461 HA ILE 59 HA ILE 59 7.646 5.841 -9.128 462 HB ILE 59 HB ILE 59 7.900 3.883 -6.836 463 1HG1 ILE 59 2HG1 ILE 59 10.219 4.463 -8.555 464 2HG1 ILE 59 1HG1 ILE 59 9.690 5.811 -7.551 465 1HG2 ILE 59 1HG2 ILE 59 7.084 2.825 -8.871 466 2HG2 ILE 59 2HG2 ILE 59 8.745 2.333 -8.539 467 3HG2 ILE 59 3HG2 ILE 59 8.414 3.531 -9.790 468 1HD1 ILE 59 1HD1 ILE 59 11.418 4.509 -6.457 469 2HD1 ILE 59 2HD1 ILE 59 10.410 3.064 -6.564 470 3HD1 ILE 59 3HD1 ILE 59 9.896 4.430 -5.571 471 H LYS 60 H LYS 60 5.878 5.251 -10.213 472 HA LYS 60 HA LYS 60 3.556 4.331 -8.656 473 1HB LYS 60 2HB LYS 60 2.154 5.081 -10.502 474 2HB LYS 60 1HB LYS 60 3.155 6.403 -9.918 475 1HG LYS 60 2HG LYS 60 4.612 6.227 -11.793 476 2HG LYS 60 1HG LYS 60 3.834 4.734 -12.319 477 1HD LYS 60 2HD LYS 60 2.551 7.463 -12.210 478 2HD LYS 60 1HD LYS 60 3.092 6.628 -13.668 479 1HE LYS 60 2HE LYS 60 1.502 4.790 -13.132 480 2HE LYS 60 1HE LYS 60 0.900 5.758 -11.787 481 1HZ LYS 60 1HZ LYS 60 -0.493 5.990 -13.740 482 2HZ LYS 60 2HZ LYS 60 0.829 6.537 -14.651 483 3HZ LYS 60 3HZ LYS 60 0.244 7.472 -13.361 484 H GLY 61 H GLY 61 2.449 2.486 -9.316 485 1HA GLY 61 2HA GLY 61 2.119 0.473 -10.370 486 2HA GLY 61 1HA GLY 61 3.134 1.054 -11.682 487 H LEU 62 H LEU 62 3.839 0.503 -8.227 488 HA LEU 62 HA LEU 62 5.906 -1.390 -9.115 489 1HB LEU 62 2HB LEU 62 7.322 -0.772 -7.362 490 2HB LEU 62 1HB LEU 62 6.715 0.738 -7.991 491 HG LEU 62 HG LEU 62 5.587 -0.577 -5.531 492 1HD1 LEU 62 1HD1 LEU 62 6.951 0.986 -4.243 493 2HD1 LEU 62 2HD1 LEU 62 7.711 1.556 -5.729 494 3HD1 LEU 62 3HD1 LEU 62 7.959 -0.106 -5.192 495 1HD2 LEU 62 1HD2 LEU 62 4.791 1.717 -5.060 496 2HD2 LEU 62 2HD2 LEU 62 4.101 1.047 -6.536 497 3HD2 LEU 62 3HD2 LEU 62 5.407 2.228 -6.632 498 H VAL 63 H VAL 63 5.976 -3.361 -8.227 499 HA VAL 63 HA VAL 63 3.587 -4.166 -6.755 500 HB VAL 63 HB VAL 63 5.712 -5.928 -7.999 501 1HG1 VAL 63 1HG1 VAL 63 2.897 -6.541 -7.107 502 2HG1 VAL 63 2HG1 VAL 63 4.378 -7.032 -6.280 503 3HG1 VAL 63 3HG1 VAL 63 4.008 -7.674 -7.880 504 1HG2 VAL 63 1HG2 VAL 63 4.131 -6.231 -9.861 505 2HG2 VAL 63 2HG2 VAL 63 4.700 -4.567 -9.727 506 3HG2 VAL 63 3HG2 VAL 63 3.088 -4.995 -9.157 507 H LEU 64 H LEU 64 3.638 -4.597 -4.662 508 HA LEU 64 HA LEU 64 6.210 -5.262 -3.410 509 1HB LEU 64 2HB LEU 64 4.402 -2.979 -2.705 510 2HB LEU 64 1HB LEU 64 5.377 -3.748 -1.465 511 HG LEU 64 HG LEU 64 6.566 -2.632 -3.995 512 1HD1 LEU 64 1HD1 LEU 64 7.219 -0.684 -2.663 513 2HD1 LEU 64 2HD1 LEU 64 6.251 -1.285 -1.316 514 3HD1 LEU 64 3HD1 LEU 64 5.469 -0.814 -2.827 515 1HD2 LEU 64 1HD2 LEU 64 8.622 -2.655 -2.588 516 2HD2 LEU 64 2HD2 LEU 64 7.954 -4.256 -2.902 517 3HD2 LEU 64 3HD2 LEU 64 7.700 -3.490 -1.334 518 H ARG 65 H ARG 65 6.139 -6.650 -1.743 519 HA ARG 65 HA ARG 65 3.909 -8.241 -1.206 520 1HB ARG 65 2HB ARG 65 5.249 -8.705 1.001 521 2HB ARG 65 1HB ARG 65 5.874 -9.254 -0.546 522 1HG ARG 65 2HG ARG 65 7.430 -7.484 -0.641 523 2HG ARG 65 1HG ARG 65 6.679 -6.644 0.709 524 1HD ARG 65 2HD ARG 65 8.830 -7.892 1.206 525 2HD ARG 65 1HD ARG 65 7.462 -8.240 2.261 526 HE ARG 65 HE ARG 65 7.284 -10.374 1.324 527 1HH1 ARG 65 1HH1 ARG 65 9.839 -8.521 -0.207 528 2HH1 ARG 65 2HH1 ARG 65 10.641 -9.915 -0.858 529 1HH2 ARG 65 1HH2 ARG 65 8.329 -12.209 0.470 530 2HH2 ARG 65 2HH2 ARG 65 9.768 -12.018 -0.487 531 H THR 66 H THR 66 2.282 -8.124 0.204 532 HA THR 66 HA THR 66 1.822 -5.532 1.436 533 HB THR 66 HB THR 66 0.055 -6.541 0.075 534 HG1 THR 66 1HG THR 66 -1.072 -6.762 2.615 535 1HG2 THR 66 1HG2 THR 66 0.081 -8.750 2.133 536 2HG2 THR 66 2HG2 THR 66 0.506 -8.889 0.426 537 3HG2 THR 66 3HG2 THR 66 -1.158 -8.536 0.895 538 H GLU 67 H GLU 67 3.823 -7.401 2.554 539 HA GLU 67 HA GLU 67 2.611 -8.524 4.947 540 1HB GLU 67 2HB GLU 67 5.538 -8.365 4.209 541 2HB GLU 67 1HB GLU 67 4.791 -9.449 5.379 542 1HG GLU 67 2HG GLU 67 3.501 -10.438 3.510 543 2HG GLU 67 1HG GLU 67 4.452 -9.471 2.399 544 H PHE 68 H PHE 68 4.443 -5.818 3.928 545 HA PHE 68 HA PHE 68 4.720 -4.900 6.712 546 1HB PHE 68 2HB PHE 68 6.680 -3.634 6.008 547 2HB PHE 68 1HB PHE 68 6.856 -5.335 5.574 548 HD1 PHE 68 1HD PHE 68 6.496 -1.942 4.334 549 HD2 PHE 68 2HD PHE 68 6.793 -6.040 3.248 550 HE1 PHE 68 1HE PHE 68 6.985 -1.288 2.010 551 HE2 PHE 68 2HE PHE 68 7.285 -5.393 0.925 552 HZ PHE 68 HZ PHE 68 7.382 -3.016 0.304 553 H LEU 69 H LEU 69 2.487 -4.543 4.697 554 HA LEU 69 HA LEU 69 2.521 -1.602 4.632 555 1HB LEU 69 2HB LEU 69 1.008 -3.471 2.817 556 2HB LEU 69 1HB LEU 69 0.962 -1.726 2.748 557 HG LEU 69 HG LEU 69 3.441 -3.376 2.250 558 1HD1 LEU 69 1HD1 LEU 69 1.564 -2.057 0.293 559 2HD1 LEU 69 2HD1 LEU 69 1.779 -3.793 0.525 560 3HD1 LEU 69 3HD1 LEU 69 3.104 -2.817 -0.109 561 1HD2 LEU 69 1HD2 LEU 69 2.836 -0.441 1.900 562 2HD2 LEU 69 2HD2 LEU 69 4.279 -1.247 1.287 563 3HD2 LEU 69 3HD2 LEU 69 3.986 -1.165 3.025 564 H LYS 70 H LYS 70 0.752 -0.506 5.232 565 HA LYS 70 HA LYS 70 -1.204 -2.013 6.840 566 1HB LYS 70 2HB LYS 70 0.540 -0.076 7.672 567 2HB LYS 70 1HB LYS 70 -0.881 0.885 7.299 568 1HG LYS 70 2HG LYS 70 -0.654 -1.372 9.258 569 2HG LYS 70 1HG LYS 70 -0.941 0.334 9.609 570 1HD LYS 70 2HD LYS 70 -3.059 -0.012 8.122 571 2HD LYS 70 1HD LYS 70 -2.800 -1.718 8.478 572 1HE LYS 70 2HE LYS 70 -2.838 -1.206 10.881 573 2HE LYS 70 1HE LYS 70 -3.160 0.486 10.503 574 1HZ LYS 70 1HZ LYS 70 -5.206 -0.275 9.351 575 2HZ LYS 70 2HZ LYS 70 -5.209 -0.572 11.017 576 3HZ LYS 70 3HZ LYS 70 -4.906 -1.838 9.934 577 H LYS 71 H LYS 71 -3.252 -1.942 6.106 578 HA LYS 71 HA LYS 71 -4.052 -0.341 3.919 579 1HB LYS 71 2HB LYS 71 -5.142 -2.489 4.586 580 2HB LYS 71 1HB LYS 71 -5.821 -1.673 5.987 581 1HG LYS 71 2HG LYS 71 -6.346 -0.560 3.275 582 2HG LYS 71 1HG LYS 71 -7.219 -1.997 3.800 583 1HD LYS 71 2HD LYS 71 -8.061 -0.812 5.740 584 2HD LYS 71 1HD LYS 71 -7.117 0.614 5.306 585 1HE LYS 71 2HE LYS 71 -9.295 -0.600 3.610 586 2HE LYS 71 1HE LYS 71 -9.505 0.787 4.677 587 1HZ LYS 71 1HZ LYS 71 -9.152 1.579 2.481 588 2HZ LYS 71 2HZ LYS 71 -7.771 0.621 2.267 589 3HZ LYS 71 3HZ LYS 71 -7.748 1.921 3.362 590 H ALA 72 H ALA 72 -4.590 1.729 3.859 591 HA ALA 72 HA ALA 72 -4.558 3.207 6.362 592 1HB ALA 72 1HB ALA 72 -3.186 4.017 4.537 593 2HB ALA 72 2HB ALA 72 -4.443 5.197 4.919 594 3HB ALA 72 3HB ALA 72 -4.608 4.160 3.502 595 H GLY 73 H GLY 73 -6.228 4.347 7.218 596 1HA GLY 73 2HA GLY 73 -8.344 5.394 7.206 597 2HA GLY 73 1HA GLY 73 -8.732 4.542 5.720 598 H SER 74 H SER 74 -10.743 4.372 7.219 599 HA SER 74 HA SER 74 -10.573 1.749 8.536 600 1HB SER 74 2HB SER 74 -12.195 4.090 9.569 601 2HB SER 74 1HB SER 74 -12.035 2.501 10.321 602 HG SER 74 HG SER 74 -9.892 4.303 9.858 Start of MODEL 15 1 1H MET 1 1HT MET 1 -8.248 -21.718 -2.346 2 2H MET 1 2HT MET 1 -9.177 -22.926 -3.094 3 3H MET 1 3HT MET 1 -9.820 -22.041 -1.799 4 HA MET 1 HA MET 1 -9.100 -20.940 -4.452 5 1HB MET 1 2HB MET 1 -11.127 -22.364 -4.462 6 2HB MET 1 1HB MET 1 -11.805 -21.393 -3.166 7 1HG MET 1 2HG MET 1 -11.702 -19.423 -4.691 8 2HG MET 1 1HG MET 1 -11.225 -20.524 -5.983 9 1HE MET 1 1HE MET 1 -14.378 -22.878 -6.174 10 2HE MET 1 2HE MET 1 -12.944 -23.107 -5.174 11 3HE MET 1 3HE MET 1 -12.779 -22.540 -6.836 12 H SER 2 H SER 2 -7.827 -19.350 -3.317 13 HA SER 2 HA SER 2 -9.336 -17.078 -2.446 14 1HB SER 2 2HB SER 2 -7.620 -18.522 -0.410 15 2HB SER 2 1HB SER 2 -8.330 -16.925 -0.186 16 HG SER 2 HG SER 2 -10.223 -18.687 -0.943 17 H ILE 3 H ILE 3 -8.269 -15.465 -3.393 18 HA ILE 3 HA ILE 3 -5.341 -15.420 -3.108 19 HB ILE 3 HB ILE 3 -5.172 -13.942 -5.008 20 1HG1 ILE 3 2HG1 ILE 3 -8.158 -14.217 -5.392 21 2HG1 ILE 3 1HG1 ILE 3 -7.393 -12.814 -4.656 22 1HG2 ILE 3 1HG2 ILE 3 -6.883 -16.331 -5.661 23 2HG2 ILE 3 2HG2 ILE 3 -5.134 -16.331 -5.444 24 3HG2 ILE 3 3HG2 ILE 3 -5.854 -15.457 -6.797 25 1HD1 ILE 3 1HD1 ILE 3 -7.889 -12.395 -6.987 26 2HD1 ILE 3 2HD1 ILE 3 -6.947 -13.809 -7.460 27 3HD1 ILE 3 3HD1 ILE 3 -6.145 -12.422 -6.722 28 H GLU 4 H GLU 4 -7.430 -14.715 -1.256 29 HA GLU 4 HA GLU 4 -8.047 -12.048 -1.011 30 1HB GLU 4 2HB GLU 4 -8.006 -12.596 1.518 31 2HB GLU 4 1HB GLU 4 -9.133 -13.461 0.484 32 1HG GLU 4 2HG GLU 4 -7.725 -15.383 0.438 33 2HG GLU 4 1HG GLU 4 -6.435 -14.512 1.259 34 H VAL 5 H VAL 5 -6.650 -10.446 -1.218 35 HA VAL 5 HA VAL 5 -4.024 -10.594 0.029 36 HB VAL 5 HB VAL 5 -5.079 -8.202 -1.459 37 1HG1 VAL 5 1HG1 VAL 5 -2.708 -7.919 -2.023 38 2HG1 VAL 5 2HG1 VAL 5 -2.326 -9.373 -1.102 39 3HG1 VAL 5 3HG1 VAL 5 -2.977 -7.953 -0.281 40 1HG2 VAL 5 1HG2 VAL 5 -3.768 -10.584 -2.759 41 2HG2 VAL 5 2HG2 VAL 5 -4.320 -9.104 -3.553 42 3HG2 VAL 5 3HG2 VAL 5 -5.492 -10.218 -2.847 43 H ARG 6 H ARG 6 -3.748 -9.871 2.022 44 HA ARG 6 HA ARG 6 -5.525 -7.750 3.029 45 1HB ARG 6 2HB ARG 6 -4.383 -10.007 4.666 46 2HB ARG 6 1HB ARG 6 -5.472 -8.758 5.221 47 1HG ARG 6 2HG ARG 6 -7.235 -9.640 3.966 48 2HG ARG 6 1HG ARG 6 -6.184 -10.758 3.108 49 1HD ARG 6 2HD ARG 6 -5.711 -11.917 5.170 50 2HD ARG 6 1HD ARG 6 -6.683 -10.761 6.074 51 HE ARG 6 HE ARG 6 -7.769 -12.694 4.115 52 1HH1 ARG 6 1HH1 ARG 6 -8.108 -10.697 6.970 53 2HH1 ARG 6 2HH1 ARG 6 -9.586 -11.451 7.485 54 1HH2 ARG 6 1HH2 ARG 6 -9.729 -13.664 4.758 55 2HH2 ARG 6 2HH2 ARG 6 -10.517 -13.130 6.212 56 H ASP 7 H ASP 7 -4.536 -6.455 4.792 57 HA ASP 7 HA ASP 7 -1.778 -5.853 4.146 58 1HB ASP 7 2HB ASP 7 -2.050 -3.887 5.496 59 2HB ASP 7 1HB ASP 7 -3.513 -4.067 4.544 60 H CYS 8 H CYS 8 -0.800 -4.978 6.624 61 HA CYS 8 HA CYS 8 0.127 -7.474 7.665 62 1HB CYS 8 2HB CYS 8 1.397 -6.058 9.261 63 2HB CYS 8 1HB CYS 8 1.615 -5.565 7.586 64 HG CYS 8 HG CYS 8 0.271 -3.264 7.701 65 H ASN 9 H ASN 9 -2.652 -5.757 8.214 66 HA ASN 9 HA ASN 9 -2.911 -6.511 11.035 67 1HB ASN 9 2HB ASN 9 -3.605 -4.224 9.851 68 2HB ASN 9 1HB ASN 9 -5.071 -5.123 9.517 69 1HD2 ASN 9 1HD2 ASN 9 -6.501 -5.523 11.117 70 2HD2 ASN 9 2HD2 ASN 9 -6.343 -4.907 12.724 71 H GLY 10 H GLY 10 -4.264 -7.029 7.852 72 1HA GLY 10 2HA GLY 10 -5.033 -9.357 7.425 73 2HA GLY 10 1HA GLY 10 -5.896 -9.229 8.949 74 H ALA 11 H ALA 11 -5.876 -6.303 7.341 75 HA ALA 11 HA ALA 11 -8.682 -6.548 6.680 76 1HB ALA 11 1HB ALA 11 -8.535 -4.160 6.147 77 2HB ALA 11 2HB ALA 11 -6.789 -4.216 6.380 78 3HB ALA 11 3HB ALA 11 -7.870 -4.508 7.742 79 H LEU 12 H LEU 12 -9.494 -6.883 4.719 80 HA LEU 12 HA LEU 12 -7.766 -7.758 2.645 81 1HB LEU 12 2HB LEU 12 -10.732 -7.420 2.898 82 2HB LEU 12 1HB LEU 12 -10.002 -7.861 1.364 83 HG LEU 12 HG LEU 12 -9.432 -9.454 3.848 84 1HD1 LEU 12 1HD1 LEU 12 -11.738 -9.846 1.937 85 2HD1 LEU 12 2HD1 LEU 12 -11.864 -9.379 3.633 86 3HD1 LEU 12 3HD1 LEU 12 -11.244 -10.971 3.200 87 1HD2 LEU 12 1HD2 LEU 12 -9.028 -11.221 2.199 88 2HD2 LEU 12 2HD2 LEU 12 -8.008 -9.812 1.910 89 3HD2 LEU 12 3HD2 LEU 12 -9.425 -10.097 0.900 90 H LEU 13 H LEU 13 -7.217 -6.872 0.766 91 HA LEU 13 HA LEU 13 -7.793 -4.018 0.388 92 1HB LEU 13 2HB LEU 13 -5.602 -5.787 -0.708 93 2HB LEU 13 1HB LEU 13 -5.824 -4.107 -1.153 94 HG LEU 13 HG LEU 13 -5.298 -5.011 1.676 95 1HD1 LEU 13 1HD1 LEU 13 -2.997 -4.271 1.319 96 2HD1 LEU 13 2HD1 LEU 13 -3.354 -3.973 -0.384 97 3HD1 LEU 13 3HD1 LEU 13 -3.407 -5.617 0.255 98 1HD2 LEU 13 1HD2 LEU 13 -5.089 -2.311 0.347 99 2HD2 LEU 13 2HD2 LEU 13 -4.759 -2.674 2.042 100 3HD2 LEU 13 3HD2 LEU 13 -6.399 -2.830 1.412 101 H ALA 14 H ALA 14 -7.735 -3.405 -2.030 102 HA ALA 14 HA ALA 14 -8.658 -5.385 -3.892 103 1HB ALA 14 1HB ALA 14 -10.844 -4.442 -4.309 104 2HB ALA 14 2HB ALA 14 -10.585 -3.215 -3.070 105 3HB ALA 14 3HB ALA 14 -10.719 -4.913 -2.614 106 H ASP 15 H ASP 15 -9.473 -4.095 -5.966 107 HA ASP 15 HA ASP 15 -7.380 -2.362 -6.790 108 1HB ASP 15 2HB ASP 15 -8.577 -3.716 -8.416 109 2HB ASP 15 1HB ASP 15 -10.091 -2.910 -8.022 110 H GLY 16 H GLY 16 -7.118 -0.276 -6.384 111 1HA GLY 16 2HA GLY 16 -7.764 1.981 -6.240 112 2HA GLY 16 1HA GLY 16 -9.443 1.471 -6.126 113 H ASP 17 H ASP 17 -6.983 0.011 -4.166 114 HA ASP 17 HA ASP 17 -8.270 1.108 -1.771 115 1HB ASP 17 2HB ASP 17 -7.708 -1.433 -2.313 116 2HB ASP 17 1HB ASP 17 -6.143 -0.984 -1.651 117 H ASN 18 H ASN 18 -6.600 1.376 0.135 118 HA ASN 18 HA ASN 18 -4.132 2.597 -0.865 119 1HB ASN 18 2HB ASN 18 -4.439 4.472 0.816 120 2HB ASN 18 1HB ASN 18 -5.435 4.542 -0.626 121 1HD2 ASN 18 1HD2 ASN 18 -6.757 5.971 0.528 122 2HD2 ASN 18 2HD2 ASN 18 -7.941 5.378 1.645 123 H VAL 19 H VAL 19 -2.399 2.449 0.405 124 HA VAL 19 HA VAL 19 -2.681 1.319 3.089 125 HB VAL 19 HB VAL 19 -0.802 -0.268 2.661 126 1HG1 VAL 19 1HG1 VAL 19 -3.123 -1.037 2.696 127 2HG1 VAL 19 2HG1 VAL 19 -2.152 -1.968 1.554 128 3HG1 VAL 19 3HG1 VAL 19 -3.252 -0.723 0.966 129 1HG2 VAL 19 1HG2 VAL 19 0.159 0.772 0.690 130 2HG2 VAL 19 2HG2 VAL 19 -1.308 0.435 -0.228 131 3HG2 VAL 19 3HG2 VAL 19 -0.297 -0.895 0.337 132 H SER 20 H SER 20 -0.299 1.157 4.034 133 HA SER 20 HA SER 20 1.439 3.258 3.091 134 1HB SER 20 2HB SER 20 0.029 3.441 5.747 135 2HB SER 20 1HB SER 20 1.424 4.422 5.319 136 HG SER 20 HG SER 20 -0.642 4.410 3.483 137 H LEU 21 H LEU 21 3.501 3.291 4.142 138 HA LEU 21 HA LEU 21 4.515 0.691 4.668 139 1HB LEU 21 2HB LEU 21 5.619 3.464 4.640 140 2HB LEU 21 1HB LEU 21 6.575 2.192 5.371 141 HG LEU 21 HG LEU 21 7.176 2.683 3.015 142 1HD1 LEU 21 1HD1 LEU 21 6.142 -0.058 3.673 143 2HD1 LEU 21 2HD1 LEU 21 7.770 0.577 3.912 144 3HD1 LEU 21 3HD1 LEU 21 7.163 0.305 2.281 145 1HD2 LEU 21 1HD2 LEU 21 4.465 1.521 2.400 146 2HD2 LEU 21 2HD2 LEU 21 5.723 1.894 1.221 147 3HD2 LEU 21 3HD2 LEU 21 4.962 3.193 2.140 148 H ILE 22 H ILE 22 4.718 -0.396 6.545 149 HA ILE 22 HA ILE 22 4.098 1.015 9.038 150 HB ILE 22 HB ILE 22 3.872 -1.118 10.099 151 1HG1 ILE 22 2HG1 ILE 22 4.851 -2.390 7.531 152 2HG1 ILE 22 1HG1 ILE 22 5.826 -2.204 8.983 153 1HG2 ILE 22 1HG2 ILE 22 1.984 -0.383 8.752 154 2HG2 ILE 22 2HG2 ILE 22 2.108 -2.142 8.756 155 3HG2 ILE 22 3HG2 ILE 22 2.645 -1.223 7.350 156 1HD1 ILE 22 1HD1 ILE 22 3.303 -3.822 8.748 157 2HD1 ILE 22 2HD1 ILE 22 4.278 -3.638 10.206 158 3HD1 ILE 22 3HD1 ILE 22 4.949 -4.455 8.793 159 H LYS 23 H LYS 23 6.792 0.229 7.274 160 HA LYS 23 HA LYS 23 8.555 0.969 9.412 161 1HB LYS 23 2HB LYS 23 9.946 -1.032 9.364 162 2HB LYS 23 1HB LYS 23 8.303 -1.479 9.803 163 1HG LYS 23 2HG LYS 23 7.891 -2.216 7.510 164 2HG LYS 23 1HG LYS 23 9.538 -1.766 7.076 165 1HD LYS 23 2HD LYS 23 9.583 -4.091 7.419 166 2HD LYS 23 1HD LYS 23 10.301 -3.386 8.870 167 1HE LYS 23 2HE LYS 23 8.132 -3.608 10.015 168 2HE LYS 23 1HE LYS 23 7.470 -4.358 8.561 169 1HZ LYS 23 1HZ LYS 23 8.138 -6.005 10.217 170 2HZ LYS 23 2HZ LYS 23 9.731 -5.436 10.157 171 3HZ LYS 23 3HZ LYS 23 9.041 -6.159 8.789 172 H ASP 24 H ASP 24 10.939 0.760 8.434 173 HA ASP 24 HA ASP 24 10.829 2.018 5.816 174 1HB ASP 24 2HB ASP 24 13.381 1.332 7.244 175 2HB ASP 24 1HB ASP 24 13.068 2.650 6.132 176 H LEU 25 H LEU 25 11.042 0.927 3.964 177 HA LEU 25 HA LEU 25 12.377 -1.705 4.025 178 1HB LEU 25 2HB LEU 25 10.016 -0.779 2.392 179 2HB LEU 25 1HB LEU 25 10.964 -2.179 1.945 180 HG LEU 25 HG LEU 25 9.002 -2.943 3.038 181 1HD1 LEU 25 1HD1 LEU 25 9.904 -4.113 5.022 182 2HD1 LEU 25 2HD1 LEU 25 11.354 -3.110 4.915 183 3HD1 LEU 25 3HD1 LEU 25 10.956 -4.224 3.607 184 1HD2 LEU 25 1HD2 LEU 25 9.679 -0.967 5.179 185 2HD2 LEU 25 2HD2 LEU 25 8.547 -2.299 5.415 186 3HD2 LEU 25 3HD2 LEU 25 8.224 -1.076 4.193 187 H LYS 26 H LYS 26 14.188 -1.802 2.871 188 HA LYS 26 HA LYS 26 14.631 0.257 0.838 189 1HB LYS 26 2HB LYS 26 16.352 0.099 2.557 190 2HB LYS 26 1HB LYS 26 16.575 -1.596 2.188 191 1HG LYS 26 2HG LYS 26 16.908 -0.012 -0.184 192 2HG LYS 26 1HG LYS 26 17.970 0.552 1.109 193 1HD LYS 26 2HD LYS 26 17.741 -2.332 0.260 194 2HD LYS 26 1HD LYS 26 18.959 -1.217 -0.367 195 1HE LYS 26 2HE LYS 26 19.882 -0.910 1.833 196 2HE LYS 26 1HE LYS 26 18.584 -1.858 2.557 197 1HZ LYS 26 1HZ LYS 26 20.438 -2.999 0.550 198 2HZ LYS 26 2HZ LYS 26 19.411 -3.823 1.621 199 3HZ LYS 26 3HZ LYS 26 20.785 -3.016 2.207 200 H LEU 27 H LEU 27 15.043 -0.209 -1.222 201 HA LEU 27 HA LEU 27 14.474 -2.954 -2.096 202 1HB LEU 27 2HB LEU 27 13.820 -0.270 -3.148 203 2HB LEU 27 1HB LEU 27 14.250 -1.472 -4.348 204 HG LEU 27 HG LEU 27 11.833 -1.346 -4.050 205 1HD1 LEU 27 1HD1 LEU 27 11.420 -3.720 -3.696 206 2HD1 LEU 27 2HD1 LEU 27 13.023 -3.895 -2.977 207 3HD1 LEU 27 3HD1 LEU 27 12.863 -3.460 -4.677 208 1HD2 LEU 27 1HD2 LEU 27 11.752 -0.614 -1.730 209 2HD2 LEU 27 2HD2 LEU 27 12.386 -2.171 -1.202 210 3HD2 LEU 27 3HD2 LEU 27 10.795 -2.077 -1.954 211 H LYS 28 H LYS 28 15.619 -3.808 -3.879 212 HA LYS 28 HA LYS 28 17.442 -4.331 -5.121 213 1HB LYS 28 2HB LYS 28 17.058 -1.739 -5.687 214 2HB LYS 28 1HB LYS 28 18.619 -1.604 -4.895 215 1HG LYS 28 2HG LYS 28 19.044 -1.798 -7.207 216 2HG LYS 28 1HG LYS 28 19.461 -3.356 -6.489 217 1HD LYS 28 2HD LYS 28 17.254 -4.220 -7.154 218 2HD LYS 28 1HD LYS 28 16.902 -2.675 -7.928 219 1HE LYS 28 2HE LYS 28 18.900 -3.015 -9.371 220 2HE LYS 28 1HE LYS 28 19.090 -4.618 -8.658 221 1HZ LYS 28 1HZ LYS 28 17.929 -4.885 -10.677 222 2HZ LYS 28 2HZ LYS 28 16.844 -3.630 -10.324 223 3HZ LYS 28 3HZ LYS 28 16.776 -5.082 -9.449 224 H GLY 29 H GLY 29 20.112 -3.567 -4.959 225 1HA GLY 29 2HA GLY 29 20.947 -4.751 -2.511 226 2HA GLY 29 1HA GLY 29 21.992 -3.974 -3.696 227 H SER 30 H SER 30 21.485 -1.487 -3.792 228 HA SER 30 HA SER 30 20.763 -0.290 -1.272 229 1HB SER 30 2HB SER 30 23.588 0.058 -2.317 230 2HB SER 30 1HB SER 30 22.886 0.891 -0.931 231 HG SER 30 HG SER 30 22.563 -1.759 -0.645 232 H SER 31 H SER 31 19.155 0.618 -2.652 233 HA SER 31 HA SER 31 20.146 2.971 -4.048 234 1HB SER 31 2HB SER 31 19.917 1.215 -5.788 235 2HB SER 31 1HB SER 31 18.214 1.044 -5.363 236 HG SER 31 HG SER 31 19.232 3.582 -6.034 237 H THR 32 H THR 32 16.912 1.441 -3.994 238 HA THR 32 HA THR 32 15.871 4.029 -3.158 239 HB THR 32 HB THR 32 14.304 1.569 -3.945 240 HG1 THR 32 1HG THR 32 15.552 3.604 -5.474 241 1HG2 THR 32 1HG2 THR 32 13.003 3.270 -2.768 242 2HG2 THR 32 2HG2 THR 32 12.547 3.217 -4.471 243 3HG2 THR 32 3HG2 THR 32 13.592 4.507 -3.878 244 H VAL 33 H VAL 33 15.970 4.320 -1.023 245 HA VAL 33 HA VAL 33 15.201 2.105 0.764 246 HB VAL 33 HB VAL 33 16.430 4.764 1.529 247 1HG1 VAL 33 1HG1 VAL 33 16.976 3.623 3.625 248 2HG1 VAL 33 2HG1 VAL 33 16.161 2.172 3.044 249 3HG1 VAL 33 3HG1 VAL 33 15.237 3.647 3.329 250 1HG2 VAL 33 1HG2 VAL 33 17.809 2.123 1.057 251 2HG2 VAL 33 2HG2 VAL 33 18.563 3.563 1.742 252 3HG2 VAL 33 3HG2 VAL 33 17.978 3.580 0.078 253 H LEU 34 H LEU 34 13.013 2.139 1.002 254 HA LEU 34 HA LEU 34 11.596 4.662 1.158 255 1HB LEU 34 2HB LEU 34 10.674 1.801 1.291 256 2HB LEU 34 1HB LEU 34 9.598 3.153 1.586 257 HG LEU 34 HG LEU 34 10.479 3.943 -0.772 258 1HD1 LEU 34 1HD1 LEU 34 12.100 2.147 -1.044 259 2HD1 LEU 34 2HD1 LEU 34 10.845 2.063 -2.281 260 3HD1 LEU 34 3HD1 LEU 34 10.810 0.952 -0.912 261 1HD2 LEU 34 1HD2 LEU 34 8.430 1.774 -0.370 262 2HD2 LEU 34 2HD2 LEU 34 8.540 2.845 -1.767 263 3HD2 LEU 34 3HD2 LEU 34 8.171 3.507 -0.174 264 H LYS 35 H LYS 35 10.481 5.398 2.956 265 HA LYS 35 HA LYS 35 11.479 4.302 5.494 266 1HB LYS 35 2HB LYS 35 10.831 7.112 4.651 267 2HB LYS 35 1HB LYS 35 10.945 6.659 6.347 268 1HG LYS 35 2HG LYS 35 13.159 6.145 4.389 269 2HG LYS 35 1HG LYS 35 13.017 7.656 5.294 270 1HD LYS 35 2HD LYS 35 13.267 4.882 6.457 271 2HD LYS 35 1HD LYS 35 14.538 6.104 6.398 272 1HE LYS 35 2HE LYS 35 13.152 7.577 7.808 273 2HE LYS 35 1HE LYS 35 11.927 6.308 7.902 274 1HZ LYS 35 1HZ LYS 35 13.430 6.383 9.841 275 2HZ LYS 35 2HZ LYS 35 14.732 5.999 8.825 276 3HZ LYS 35 3HZ LYS 35 13.461 4.894 9.032 277 H ARG 36 H ARG 36 10.087 4.490 7.332 278 HA ARG 36 HA ARG 36 7.459 3.613 6.919 279 1HB ARG 36 2HB ARG 36 8.847 3.311 9.007 280 2HB ARG 36 1HB ARG 36 8.511 4.991 9.392 281 1HG ARG 36 2HG ARG 36 6.166 4.558 9.546 282 2HG ARG 36 1HG ARG 36 6.391 2.903 8.980 283 1HD ARG 36 2HD ARG 36 7.711 2.407 10.986 284 2HD ARG 36 1HD ARG 36 7.452 4.061 11.555 285 HE ARG 36 HE ARG 36 4.994 2.737 10.962 286 1HH1 ARG 36 1HH1 ARG 36 7.474 2.983 13.429 287 2HH1 ARG 36 2HH1 ARG 36 6.386 2.569 14.723 288 1HH2 ARG 36 1HH2 ARG 36 3.591 2.190 12.630 289 2HH2 ARG 36 2HH2 ARG 36 4.173 2.113 14.273 290 H GLY 37 H GLY 37 5.492 4.667 6.928 291 1HA GLY 37 2HA GLY 37 4.098 6.560 7.348 292 2HA GLY 37 1HA GLY 37 5.520 7.588 7.246 293 H THR 38 H THR 38 6.010 5.616 4.775 294 HA THR 38 HA THR 38 5.100 7.453 2.798 295 HB THR 38 HB THR 38 6.076 4.611 2.390 296 HG1 THR 38 1HG THR 38 7.802 5.549 3.302 297 1HG2 THR 38 1HG2 THR 38 4.994 5.561 0.418 298 2HG2 THR 38 2HG2 THR 38 6.735 5.435 0.164 299 3HG2 THR 38 3HG2 THR 38 6.007 6.999 0.535 300 H MET 39 H MET 39 3.099 7.584 1.977 301 HA MET 39 HA MET 39 1.244 5.403 2.431 302 1HB MET 39 2HB MET 39 0.287 7.478 2.983 303 2HB MET 39 1HB MET 39 0.909 8.252 1.531 304 1HG MET 39 2HG MET 39 -0.674 7.166 0.157 305 2HG MET 39 1HG MET 39 -1.133 6.053 1.443 306 1HE MET 39 1HE MET 39 -2.854 6.497 3.231 307 2HE MET 39 2HE MET 39 -3.329 8.104 3.779 308 3HE MET 39 3HE MET 39 -1.658 7.566 3.962 309 H ILE 40 H ILE 40 0.671 4.010 0.984 310 HA ILE 40 HA ILE 40 1.226 4.577 -1.863 311 HB ILE 40 HB ILE 40 0.894 1.844 -0.610 312 1HG1 ILE 40 2HG1 ILE 40 3.428 3.303 -1.397 313 2HG1 ILE 40 1HG1 ILE 40 2.932 2.903 0.243 314 1HG2 ILE 40 1HG2 ILE 40 0.314 1.957 -2.974 315 2HG2 ILE 40 2HG2 ILE 40 1.798 1.033 -2.733 316 3HG2 ILE 40 3HG2 ILE 40 1.877 2.691 -3.333 317 1HD1 ILE 40 1HD1 ILE 40 3.629 0.936 -1.924 318 2HD1 ILE 40 2HD1 ILE 40 3.111 0.524 -0.289 319 3HD1 ILE 40 3HD1 ILE 40 4.635 1.376 -0.544 320 H ARG 41 H ARG 41 -0.708 5.518 -2.429 321 HA ARG 41 HA ARG 41 -3.134 3.977 -1.813 322 1HB ARG 41 2HB ARG 41 -4.353 6.175 -2.198 323 2HB ARG 41 1HB ARG 41 -3.397 6.043 -0.735 324 1HG ARG 41 2HG ARG 41 -2.901 8.164 -1.470 325 2HG ARG 41 1HG ARG 41 -1.556 7.221 -2.108 326 1HD ARG 41 2HD ARG 41 -2.398 8.772 -3.784 327 2HD ARG 41 1HD ARG 41 -2.676 7.103 -4.281 328 HE ARG 41 HE ARG 41 -5.021 7.458 -3.432 329 1HH1 ARG 41 1HH1 ARG 41 -3.056 10.122 -4.604 330 2HH1 ARG 41 2HH1 ARG 41 -4.433 11.086 -5.055 331 1HH2 ARG 41 1HH2 ARG 41 -6.809 8.730 -4.036 332 2HH2 ARG 41 2HH2 ARG 41 -6.559 10.293 -4.753 333 H GLY 42 H GLY 42 -4.628 3.561 -3.384 334 1HA GLY 42 2HA GLY 42 -5.450 3.434 -5.572 335 2HA GLY 42 1HA GLY 42 -4.057 4.358 -6.126 336 H ILE 43 H ILE 43 -4.305 1.365 -4.231 337 HA ILE 43 HA ILE 43 -2.352 0.156 -6.029 338 HB ILE 43 HB ILE 43 -1.984 -1.535 -4.359 339 1HG1 ILE 43 2HG1 ILE 43 -3.281 -1.044 -2.062 340 2HG1 ILE 43 1HG1 ILE 43 -4.520 -0.499 -3.186 341 1HG2 ILE 43 1HG2 ILE 43 -0.937 0.710 -4.083 342 2HG2 ILE 43 2HG2 ILE 43 -1.067 -0.223 -2.595 343 3HG2 ILE 43 3HG2 ILE 43 -2.196 1.094 -2.912 344 1HD1 ILE 43 1HD1 ILE 43 -3.255 -3.227 -3.158 345 2HD1 ILE 43 2HD1 ILE 43 -4.528 -2.682 -4.251 346 3HD1 ILE 43 3HD1 ILE 43 -4.848 -2.815 -2.522 347 H ARG 44 H ARG 44 -2.674 -2.139 -6.615 348 HA ARG 44 HA ARG 44 -5.492 -2.918 -6.783 349 1HB ARG 44 2HB ARG 44 -5.028 -3.684 -9.166 350 2HB ARG 44 1HB ARG 44 -5.182 -1.951 -8.918 351 1HG ARG 44 2HG ARG 44 -2.753 -1.727 -8.932 352 2HG ARG 44 1HG ARG 44 -2.594 -3.470 -9.174 353 1HD ARG 44 2HD ARG 44 -3.783 -3.294 -11.296 354 2HD ARG 44 1HD ARG 44 -3.988 -1.561 -11.051 355 HE ARG 44 HE ARG 44 -1.243 -2.285 -10.953 356 1HH1 ARG 44 1HH1 ARG 44 -3.891 -1.793 -13.202 357 2HH1 ARG 44 2HH1 ARG 44 -2.852 -1.344 -14.517 358 1HH2 ARG 44 1HH2 ARG 44 0.126 -1.695 -12.667 359 2HH2 ARG 44 2HH2 ARG 44 -0.567 -1.277 -14.218 360 H LEU 45 H LEU 45 -5.844 -5.148 -6.931 361 HA LEU 45 HA LEU 45 -3.863 -6.743 -5.646 362 1HB LEU 45 2HB LEU 45 -6.408 -7.654 -6.991 363 2HB LEU 45 1HB LEU 45 -5.471 -8.552 -5.812 364 HG LEU 45 HG LEU 45 -7.098 -6.065 -5.328 365 1HD1 LEU 45 1HD1 LEU 45 -7.363 -8.879 -4.299 366 2HD1 LEU 45 2HD1 LEU 45 -8.406 -8.097 -5.487 367 3HD1 LEU 45 3HD1 LEU 45 -8.369 -7.511 -3.823 368 1HD2 LEU 45 1HD2 LEU 45 -5.367 -7.564 -3.374 369 2HD2 LEU 45 2HD2 LEU 45 -6.443 -6.215 -2.999 370 3HD2 LEU 45 3HD2 LEU 45 -5.033 -5.960 -4.029 371 H THR 46 H THR 46 -2.819 -8.610 -6.499 372 HA THR 46 HA THR 46 -2.459 -8.467 -9.420 373 HB THR 46 HB THR 46 -0.139 -9.208 -9.082 374 HG1 THR 46 1HG THR 46 -0.592 -8.854 -6.285 375 1HG2 THR 46 1HG2 THR 46 -0.827 -6.787 -7.415 376 2HG2 THR 46 2HG2 THR 46 -0.592 -6.804 -9.162 377 3HG2 THR 46 3HG2 THR 46 0.760 -7.160 -8.086 378 H ASP 47 H ASP 47 -0.855 -10.748 -9.652 379 HA ASP 47 HA ASP 47 -2.760 -12.884 -9.450 380 1HB ASP 47 2HB ASP 47 0.189 -13.046 -10.122 381 2HB ASP 47 1HB ASP 47 -1.032 -14.267 -10.456 382 H SER 48 H SER 48 -0.704 -11.434 -7.311 383 HA SER 48 HA SER 48 -0.200 -13.867 -5.772 384 1HB SER 48 2HB SER 48 1.089 -11.144 -5.703 385 2HB SER 48 1HB SER 48 1.492 -12.456 -4.615 386 HG SER 48 HG SER 48 1.919 -13.690 -6.618 387 H GLU 49 H GLU 49 -0.878 -14.041 -3.713 388 HA GLU 49 HA GLU 49 -2.938 -12.197 -2.808 389 1HB GLU 49 2HB GLU 49 -2.021 -14.461 -1.102 390 2HB GLU 49 1HB GLU 49 -3.648 -13.865 -1.393 391 1HG GLU 49 2HG GLU 49 -3.724 -15.890 -2.448 392 2HG GLU 49 1HG GLU 49 -3.264 -14.836 -3.784 393 H ASP 50 H ASP 50 0.359 -12.798 -2.372 394 HA ASP 50 HA ASP 50 0.509 -11.481 0.229 395 1HB ASP 50 2HB ASP 50 1.839 -13.545 -0.223 396 2HB ASP 50 1HB ASP 50 2.709 -12.672 -1.476 397 H GLU 51 H GLU 51 0.555 -10.682 -3.021 398 HA GLU 51 HA GLU 51 2.193 -8.298 -2.525 399 1HB GLU 51 2HB GLU 51 2.296 -10.187 -4.838 400 2HB GLU 51 1HB GLU 51 2.816 -8.526 -5.011 401 1HG GLU 51 2HG GLU 51 4.704 -8.851 -3.866 402 2HG GLU 51 1HG GLU 51 3.929 -9.922 -2.705 403 H ILE 52 H ILE 52 1.632 -6.476 -3.441 404 HA ILE 52 HA ILE 52 -0.624 -6.406 -5.316 405 HB ILE 52 HB ILE 52 -1.356 -4.250 -4.203 406 1HG1 ILE 52 2HG1 ILE 52 -0.774 -4.450 -1.607 407 2HG1 ILE 52 1HG1 ILE 52 0.687 -5.187 -2.246 408 1HG2 ILE 52 1HG2 ILE 52 -1.652 -6.813 -2.662 409 2HG2 ILE 52 2HG2 ILE 52 -2.648 -6.275 -4.015 410 3HG2 ILE 52 3HG2 ILE 52 -2.683 -5.392 -2.489 411 1HD1 ILE 52 1HD1 ILE 52 -0.333 -2.436 -2.916 412 2HD1 ILE 52 2HD1 ILE 52 1.131 -3.182 -3.557 413 3HD1 ILE 52 3HD1 ILE 52 1.007 -2.821 -1.835 414 H GLU 53 H GLU 53 -0.657 -4.350 -6.553 415 HA GLU 53 HA GLU 53 2.016 -3.126 -6.670 416 1HB GLU 53 2HB GLU 53 1.470 -4.524 -8.649 417 2HB GLU 53 1HB GLU 53 0.084 -3.503 -8.945 418 1HG GLU 53 2HG GLU 53 1.626 -1.561 -9.165 419 2HG GLU 53 1HG GLU 53 2.974 -2.689 -9.043 420 H GLY 54 H GLY 54 2.091 -0.947 -6.533 421 1HA GLY 54 2HA GLY 54 -0.389 0.563 -6.825 422 2HA GLY 54 1HA GLY 54 0.347 0.539 -5.233 423 H ARG 55 H ARG 55 0.377 2.847 -5.558 424 HA ARG 55 HA ARG 55 2.893 3.672 -6.788 425 1HB ARG 55 2HB ARG 55 1.782 5.667 -7.762 426 2HB ARG 55 1HB ARG 55 1.264 4.151 -8.488 427 1HG ARG 55 2HG ARG 55 -0.748 4.205 -7.059 428 2HG ARG 55 1HG ARG 55 -0.245 5.791 -6.477 429 1HD ARG 55 2HD ARG 55 -1.928 5.846 -8.325 430 2HD ARG 55 1HD ARG 55 -0.445 6.740 -8.647 431 HE ARG 55 HE ARG 55 0.143 5.182 -10.270 432 1HH1 ARG 55 1HH1 ARG 55 -2.795 4.207 -8.633 433 2HH1 ARG 55 2HH1 ARG 55 -3.226 3.021 -9.829 434 1HH2 ARG 55 1HH2 ARG 55 -0.400 3.618 -11.834 435 2HH2 ARG 55 2HH2 ARG 55 -1.870 2.705 -11.660 436 H THR 56 H THR 56 3.810 5.447 -5.818 437 HA THR 56 HA THR 56 2.631 6.238 -3.233 438 HB THR 56 HB THR 56 4.839 6.480 -2.328 439 HG1 THR 56 1HG THR 56 5.656 6.163 -5.029 440 1HG2 THR 56 1HG2 THR 56 5.841 4.235 -2.632 441 2HG2 THR 56 2HG2 THR 56 4.730 3.948 -3.971 442 3HG2 THR 56 3HG2 THR 56 4.102 4.169 -2.337 443 H ASP 57 H ASP 57 4.103 8.391 -2.595 444 HA ASP 57 HA ASP 57 3.286 10.454 -4.351 445 1HB ASP 57 2HB ASP 57 5.320 10.488 -2.107 446 2HB ASP 57 1HB ASP 57 4.698 11.922 -2.915 447 H LYS 58 H LYS 58 6.122 8.478 -4.154 448 HA LYS 58 HA LYS 58 7.487 10.157 -6.157 449 1HB LYS 58 2HB LYS 58 8.631 8.302 -4.066 450 2HB LYS 58 1HB LYS 58 9.586 9.016 -5.358 451 1HG LYS 58 2HG LYS 58 9.134 11.235 -4.523 452 2HG LYS 58 1HG LYS 58 8.053 10.580 -3.291 453 1HD LYS 58 2HD LYS 58 9.883 9.460 -2.205 454 2HD LYS 58 1HD LYS 58 10.986 9.907 -3.507 455 1HE LYS 58 2HE LYS 58 11.289 11.330 -1.538 456 2HE LYS 58 1HE LYS 58 10.739 12.259 -2.931 457 1HZ LYS 58 1HZ LYS 58 9.550 12.937 -0.968 458 2HZ LYS 58 2HZ LYS 58 9.058 11.349 -0.649 459 3HZ LYS 58 3HZ LYS 58 8.476 12.160 -2.020 460 H ILE 59 H ILE 59 7.745 6.759 -5.131 461 HA ILE 59 HA ILE 59 8.292 5.838 -7.780 462 HB ILE 59 HB ILE 59 7.311 4.028 -5.575 463 1HG1 ILE 59 2HG1 ILE 59 9.990 3.840 -5.279 464 2HG1 ILE 59 1HG1 ILE 59 9.858 5.547 -5.678 465 1HG2 ILE 59 1HG2 ILE 59 8.775 2.402 -6.639 466 2HG2 ILE 59 2HG2 ILE 59 9.293 3.619 -7.806 467 3HG2 ILE 59 3HG2 ILE 59 7.616 3.069 -7.790 468 1HD1 ILE 59 1HD1 ILE 59 8.428 4.164 -3.420 469 2HD1 ILE 59 2HD1 ILE 59 8.357 5.885 -3.795 470 3HD1 ILE 59 3HD1 ILE 59 9.875 5.161 -3.270 471 H LYS 60 H LYS 60 6.905 4.801 -9.223 472 HA LYS 60 HA LYS 60 4.107 4.519 -8.365 473 1HB LYS 60 2HB LYS 60 3.285 5.422 -10.430 474 2HB LYS 60 1HB LYS 60 4.405 6.589 -9.737 475 1HG LYS 60 2HG LYS 60 6.123 5.943 -11.269 476 2HG LYS 60 1HG LYS 60 5.135 4.609 -11.867 477 1HD LYS 60 2HD LYS 60 5.059 6.447 -13.439 478 2HD LYS 60 1HD LYS 60 3.478 6.242 -12.686 479 1HE LYS 60 2HE LYS 60 3.957 8.082 -11.160 480 2HE LYS 60 1HE LYS 60 5.555 8.274 -11.880 481 1HZ LYS 60 1HZ LYS 60 4.377 8.684 -14.029 482 2HZ LYS 60 2HZ LYS 60 4.165 9.885 -12.854 483 3HZ LYS 60 3HZ LYS 60 2.923 8.769 -13.153 484 H GLY 61 H GLY 61 3.015 2.780 -9.184 485 1HA GLY 61 2HA GLY 61 2.674 0.757 -10.200 486 2HA GLY 61 1HA GLY 61 3.799 1.286 -11.441 487 H LEU 62 H LEU 62 4.252 0.640 -7.969 488 HA LEU 62 HA LEU 62 6.349 -1.262 -8.752 489 1HB LEU 62 2HB LEU 62 7.587 -0.727 -6.850 490 2HB LEU 62 1HB LEU 62 6.997 0.823 -7.410 491 HG LEU 62 HG LEU 62 5.727 -0.730 -5.159 492 1HD1 LEU 62 1HD1 LEU 62 7.709 1.542 -5.046 493 2HD1 LEU 62 2HD1 LEU 62 8.029 -0.133 -4.598 494 3HD1 LEU 62 3HD1 LEU 62 6.878 0.825 -3.666 495 1HD2 LEU 62 1HD2 LEU 62 4.739 1.471 -4.609 496 2HD2 LEU 62 2HD2 LEU 62 4.217 0.864 -6.180 497 3HD2 LEU 62 3HD2 LEU 62 5.441 2.130 -6.089 498 H VAL 63 H VAL 63 6.277 -3.307 -8.012 499 HA VAL 63 HA VAL 63 3.787 -4.136 -6.736 500 HB VAL 63 HB VAL 63 5.976 -5.869 -7.900 501 1HG1 VAL 63 1HG1 VAL 63 4.584 -7.033 -6.273 502 2HG1 VAL 63 2HG1 VAL 63 4.260 -7.622 -7.904 503 3HG1 VAL 63 3HG1 VAL 63 3.131 -6.515 -7.127 504 1HG2 VAL 63 1HG2 VAL 63 4.993 -4.431 -9.612 505 2HG2 VAL 63 2HG2 VAL 63 3.382 -4.991 -9.157 506 3HG2 VAL 63 3HG2 VAL 63 4.545 -6.120 -9.852 507 H LEU 64 H LEU 64 3.713 -4.529 -4.639 508 HA LEU 64 HA LEU 64 6.214 -5.318 -3.300 509 1HB LEU 64 2HB LEU 64 4.371 -3.091 -2.518 510 2HB LEU 64 1HB LEU 64 5.357 -3.911 -1.327 511 HG LEU 64 HG LEU 64 6.499 -2.578 -3.776 512 1HD1 LEU 64 1HD1 LEU 64 7.182 -0.782 -2.250 513 2HD1 LEU 64 2HD1 LEU 64 6.244 -1.536 -0.959 514 3HD1 LEU 64 3HD1 LEU 64 5.428 -0.902 -2.390 515 1HD2 LEU 64 1HD2 LEU 64 8.584 -2.722 -2.388 516 2HD2 LEU 64 2HD2 LEU 64 7.943 -4.275 -2.924 517 3HD2 LEU 64 3HD2 LEU 64 7.687 -3.747 -1.260 518 H ARG 65 H ARG 65 6.083 -6.850 -1.857 519 HA ARG 65 HA ARG 65 3.874 -8.314 -1.091 520 1HB ARG 65 2HB ARG 65 5.275 -8.673 1.077 521 2HB ARG 65 1HB ARG 65 5.936 -9.225 -0.455 522 1HG ARG 65 2HG ARG 65 7.166 -7.045 -0.581 523 2HG ARG 65 1HG ARG 65 6.672 -6.732 1.067 524 1HD ARG 65 2HD ARG 65 8.284 -9.105 0.121 525 2HD ARG 65 1HD ARG 65 8.949 -7.673 0.897 526 HE ARG 65 HE ARG 65 7.311 -8.461 2.800 527 1HH1 ARG 65 1HH1 ARG 65 9.402 -10.396 0.746 528 2HH1 ARG 65 2HH1 ARG 65 9.627 -11.651 1.937 529 1HH2 ARG 65 1HH2 ARG 65 7.635 -10.128 4.383 530 2HH2 ARG 65 2HH2 ARG 65 8.630 -11.495 3.977 531 H THR 66 H THR 66 2.208 -7.957 0.235 532 HA THR 66 HA THR 66 1.935 -5.230 1.234 533 HB THR 66 HB THR 66 0.160 -6.108 -0.202 534 HG1 THR 66 1HG THR 66 -0.784 -5.864 2.475 535 1HG2 THR 66 1HG2 THR 66 -1.317 -7.903 0.589 536 2HG2 THR 66 2HG2 THR 66 -0.253 -8.160 1.972 537 3HG2 THR 66 3HG2 THR 66 0.333 -8.471 0.338 538 H GLU 67 H GLU 67 3.557 -7.361 2.615 539 HA GLU 67 HA GLU 67 1.908 -7.854 4.984 540 1HB GLU 67 2HB GLU 67 3.799 -9.375 5.649 541 2HB GLU 67 1HB GLU 67 2.932 -9.835 4.193 542 1HG GLU 67 2HG GLU 67 5.072 -10.152 3.512 543 2HG GLU 67 1HG GLU 67 4.839 -8.486 3.011 544 H PHE 68 H PHE 68 4.193 -5.694 3.867 545 HA PHE 68 HA PHE 68 4.661 -4.802 6.627 546 1HB PHE 68 2HB PHE 68 6.601 -3.547 5.801 547 2HB PHE 68 1HB PHE 68 6.743 -5.269 5.470 548 HD1 PHE 68 1HD PHE 68 7.568 -5.883 3.456 549 HD2 PHE 68 2HD PHE 68 5.510 -2.177 3.754 550 HE1 PHE 68 1HE PHE 68 8.101 -5.400 1.106 551 HE2 PHE 68 2HE PHE 68 6.032 -1.692 1.400 552 HZ PHE 68 HZ PHE 68 7.335 -3.304 0.075 553 H LEU 69 H LEU 69 2.407 -4.429 4.626 554 HA LEU 69 HA LEU 69 2.390 -1.491 4.626 555 1HB LEU 69 2HB LEU 69 0.827 -3.372 2.863 556 2HB LEU 69 1HB LEU 69 0.740 -1.627 2.815 557 HG LEU 69 HG LEU 69 3.211 -3.236 2.167 558 1HD1 LEU 69 1HD1 LEU 69 1.231 -1.869 0.351 559 2HD1 LEU 69 2HD1 LEU 69 1.483 -3.609 0.505 560 3HD1 LEU 69 3HD1 LEU 69 2.761 -2.587 -0.155 561 1HD2 LEU 69 1HD2 LEU 69 3.730 -1.029 3.021 562 2HD2 LEU 69 2HD2 LEU 69 2.589 -0.299 1.892 563 3HD2 LEU 69 3HD2 LEU 69 4.041 -1.099 1.285 564 H LYS 70 H LYS 70 0.574 -0.434 5.261 565 HA LYS 70 HA LYS 70 -1.364 -2.029 6.795 566 1HB LYS 70 2HB LYS 70 0.394 -0.189 7.798 567 2HB LYS 70 1HB LYS 70 -1.024 0.812 7.501 568 1HG LYS 70 2HG LYS 70 -0.749 -1.578 9.284 569 2HG LYS 70 1HG LYS 70 -1.228 0.066 9.723 570 1HD LYS 70 2HD LYS 70 -3.270 -0.257 8.307 571 2HD LYS 70 1HD LYS 70 -2.800 -1.936 8.108 572 1HE LYS 70 2HE LYS 70 -2.947 -2.273 10.521 573 2HE LYS 70 1HE LYS 70 -3.420 -0.586 10.727 574 1HZ LYS 70 1HZ LYS 70 -4.930 -2.562 9.111 575 2HZ LYS 70 2HZ LYS 70 -5.413 -0.980 9.484 576 3HZ LYS 70 3HZ LYS 70 -5.310 -2.144 10.706 577 H LYS 71 H LYS 71 -3.402 -1.888 6.049 578 HA LYS 71 HA LYS 71 -4.143 -0.199 3.912 579 1HB LYS 71 2HB LYS 71 -5.323 -2.301 4.429 580 2HB LYS 71 1HB LYS 71 -5.908 -1.605 5.933 581 1HG LYS 71 2HG LYS 71 -7.100 0.117 4.607 582 2HG LYS 71 1HG LYS 71 -6.604 -0.728 3.141 583 1HD LYS 71 2HD LYS 71 -7.841 -2.669 3.743 584 2HD LYS 71 1HD LYS 71 -8.148 -2.045 5.365 585 1HE LYS 71 2HE LYS 71 -10.130 -1.819 3.999 586 2HE LYS 71 1HE LYS 71 -9.484 -0.229 4.397 587 1HZ LYS 71 1HZ LYS 71 -10.137 -0.310 2.098 588 2HZ LYS 71 2HZ LYS 71 -9.160 -1.660 1.812 589 3HZ LYS 71 3HZ LYS 71 -8.449 -0.171 2.181 590 H ALA 72 H ALA 72 -4.780 1.870 3.887 591 HA ALA 72 HA ALA 72 -4.519 3.357 6.337 592 1HB ALA 72 1HB ALA 72 -3.560 4.215 4.271 593 2HB ALA 72 2HB ALA 72 -4.763 5.334 4.920 594 3HB ALA 72 3HB ALA 72 -5.170 4.301 3.549 595 H GLY 73 H GLY 73 -6.076 4.784 7.218 596 1HA GLY 73 2HA GLY 73 -8.317 5.633 7.358 597 2HA GLY 73 1HA GLY 73 -8.865 4.230 6.449 598 H SER 74 H SER 74 -7.510 2.236 7.864 599 HA SER 74 HA SER 74 -8.355 2.487 10.641 600 1HB SER 74 2HB SER 74 -9.312 0.264 8.816 601 2HB SER 74 1HB SER 74 -9.595 0.355 10.554 602 HG SER 74 HG SER 74 -10.754 2.301 10.187 Start of MODEL 16 1 1H MET 1 1HT MET 1 -9.709 -21.154 -1.627 2 2H MET 1 2HT MET 1 -9.652 -22.687 -2.347 3 3H MET 1 3HT MET 1 -10.894 -21.608 -2.751 4 HA MET 1 HA MET 1 -8.017 -21.209 -3.311 5 1HB MET 1 2HB MET 1 -10.325 -21.948 -5.119 6 2HB MET 1 1HB MET 1 -8.761 -21.404 -5.705 7 1HG MET 1 2HG MET 1 -8.856 -23.781 -5.850 8 2HG MET 1 1HG MET 1 -7.714 -23.338 -4.584 9 1HE MET 1 1HE MET 1 -7.752 -25.812 -3.655 10 2HE MET 1 2HE MET 1 -8.889 -26.275 -4.923 11 3HE MET 1 3HE MET 1 -9.231 -26.682 -3.241 12 H SER 2 H SER 2 -8.048 -19.130 -2.450 13 HA SER 2 HA SER 2 -9.416 -17.156 -4.127 14 1HB SER 2 2HB SER 2 -9.465 -16.960 -1.107 15 2HB SER 2 1HB SER 2 -10.308 -15.935 -2.267 16 HG SER 2 HG SER 2 -10.961 -18.443 -1.297 17 H ILE 3 H ILE 3 -8.308 -15.182 -4.257 18 HA ILE 3 HA ILE 3 -5.659 -15.190 -2.991 19 HB ILE 3 HB ILE 3 -4.936 -13.616 -4.731 20 1HG1 ILE 3 2HG1 ILE 3 -7.617 -14.114 -6.041 21 2HG1 ILE 3 1HG1 ILE 3 -7.193 -12.629 -5.196 22 1HG2 ILE 3 1HG2 ILE 3 -6.181 -16.145 -5.795 23 2HG2 ILE 3 2HG2 ILE 3 -4.583 -15.990 -5.063 24 3HG2 ILE 3 3HG2 ILE 3 -4.929 -15.204 -6.605 25 1HD1 ILE 3 1HD1 ILE 3 -5.376 -12.256 -6.788 26 2HD1 ILE 3 2HD1 ILE 3 -6.948 -12.362 -7.587 27 3HD1 ILE 3 3HD1 ILE 3 -5.834 -13.729 -7.642 28 H GLU 4 H GLU 4 -7.564 -14.496 -1.312 29 HA GLU 4 HA GLU 4 -8.261 -11.754 -1.291 30 1HB GLU 4 2HB GLU 4 -8.177 -13.823 0.894 31 2HB GLU 4 1HB GLU 4 -8.747 -12.176 1.145 32 1HG GLU 4 2HG GLU 4 -10.527 -12.477 -0.399 33 2HG GLU 4 1HG GLU 4 -9.889 -14.040 -0.902 34 H VAL 5 H VAL 5 -6.661 -10.384 -1.478 35 HA VAL 5 HA VAL 5 -4.204 -10.657 0.002 36 HB VAL 5 HB VAL 5 -4.986 -8.164 -1.475 37 1HG1 VAL 5 1HG1 VAL 5 -2.366 -9.602 -1.116 38 2HG1 VAL 5 2HG1 VAL 5 -2.907 -8.203 -0.184 39 3HG1 VAL 5 3HG1 VAL 5 -2.601 -8.047 -1.916 40 1HG2 VAL 5 1HG2 VAL 5 -5.550 -9.814 -3.077 41 2HG2 VAL 5 2HG2 VAL 5 -4.130 -10.780 -2.679 42 3HG2 VAL 5 3HG2 VAL 5 -3.939 -9.235 -3.511 43 H ARG 6 H ARG 6 -3.766 -9.782 1.916 44 HA ARG 6 HA ARG 6 -5.510 -7.646 2.919 45 1HB ARG 6 2HB ARG 6 -4.522 -9.954 4.600 46 2HB ARG 6 1HB ARG 6 -5.560 -8.641 5.124 47 1HG ARG 6 2HG ARG 6 -7.345 -9.731 4.502 48 2HG ARG 6 1HG ARG 6 -6.716 -9.975 2.875 49 1HD ARG 6 2HD ARG 6 -7.192 -12.105 3.926 50 2HD ARG 6 1HD ARG 6 -5.457 -11.913 3.679 51 HE ARG 6 HE ARG 6 -5.299 -11.371 6.076 52 1HH1 ARG 6 1HH1 ARG 6 -8.158 -13.038 4.936 53 2HH1 ARG 6 2HH1 ARG 6 -8.519 -13.770 6.470 54 1HH2 ARG 6 1HH2 ARG 6 -5.756 -12.331 8.116 55 2HH2 ARG 6 2HH2 ARG 6 -7.154 -13.361 8.285 56 H ASP 7 H ASP 7 -4.509 -6.375 4.658 57 HA ASP 7 HA ASP 7 -1.763 -5.774 4.066 58 1HB ASP 7 2HB ASP 7 -2.042 -3.884 5.392 59 2HB ASP 7 1HB ASP 7 -3.687 -4.183 4.851 60 H CYS 8 H CYS 8 -0.509 -5.195 6.333 61 HA CYS 8 HA CYS 8 0.539 -7.579 7.281 62 1HB CYS 8 2HB CYS 8 1.469 -6.164 9.142 63 2HB CYS 8 1HB CYS 8 1.776 -5.550 7.522 64 HG CYS 8 HG CYS 8 -0.899 -4.050 8.137 65 H ASN 9 H ASN 9 -2.196 -5.722 8.486 66 HA ASN 9 HA ASN 9 -2.448 -7.255 10.907 67 1HB ASN 9 2HB ASN 9 -4.188 -5.190 9.564 68 2HB ASN 9 1HB ASN 9 -4.609 -5.970 11.074 69 1HD2 ASN 9 1HD2 ASN 9 -2.532 -3.708 9.500 70 2HD2 ASN 9 2HD2 ASN 9 -1.864 -3.011 10.942 71 H GLY 10 H GLY 10 -4.471 -6.781 8.038 72 1HA GLY 10 2HA GLY 10 -5.117 -9.171 7.162 73 2HA GLY 10 1HA GLY 10 -5.936 -9.227 8.716 74 H ALA 11 H ALA 11 -5.726 -6.194 7.048 75 HA ALA 11 HA ALA 11 -8.598 -6.236 6.588 76 1HB ALA 11 1HB ALA 11 -6.559 -4.047 6.180 77 2HB ALA 11 2HB ALA 11 -7.631 -4.231 7.569 78 3HB ALA 11 3HB ALA 11 -8.300 -3.868 5.978 79 H LEU 12 H LEU 12 -9.514 -6.574 4.681 80 HA LEU 12 HA LEU 12 -7.932 -7.596 2.545 81 1HB LEU 12 2HB LEU 12 -10.871 -7.015 2.828 82 2HB LEU 12 1HB LEU 12 -10.176 -7.719 1.379 83 HG LEU 12 HG LEU 12 -9.684 -9.027 4.028 84 1HD1 LEU 12 1HD1 LEU 12 -12.154 -9.385 2.322 85 2HD1 LEU 12 2HD1 LEU 12 -12.106 -8.680 3.938 86 3HD1 LEU 12 3HD1 LEU 12 -11.701 -10.382 3.706 87 1HD2 LEU 12 1HD2 LEU 12 -8.454 -9.798 2.074 88 2HD2 LEU 12 2HD2 LEU 12 -9.966 -10.042 1.200 89 3HD2 LEU 12 3HD2 LEU 12 -9.597 -11.027 2.615 90 H LEU 13 H LEU 13 -7.393 -6.751 0.627 91 HA LEU 13 HA LEU 13 -7.868 -3.870 0.265 92 1HB LEU 13 2HB LEU 13 -5.675 -5.663 -0.790 93 2HB LEU 13 1HB LEU 13 -5.842 -3.958 -1.173 94 HG LEU 13 HG LEU 13 -5.419 -5.021 1.620 95 1HD1 LEU 13 1HD1 LEU 13 -3.114 -4.228 1.377 96 2HD1 LEU 13 2HD1 LEU 13 -3.428 -3.851 -0.316 97 3HD1 LEU 13 3HD1 LEU 13 -3.481 -5.524 0.238 98 1HD2 LEU 13 1HD2 LEU 13 -5.199 -2.236 0.488 99 2HD2 LEU 13 2HD2 LEU 13 -4.919 -2.711 2.165 100 3HD2 LEU 13 3HD2 LEU 13 -6.535 -2.837 1.470 101 H ALA 14 H ALA 14 -7.741 -3.217 -2.117 102 HA ALA 14 HA ALA 14 -8.564 -5.125 -4.091 103 1HB ALA 14 1HB ALA 14 -10.744 -4.118 -4.582 104 2HB ALA 14 2HB ALA 14 -10.564 -3.047 -3.191 105 3HB ALA 14 3HB ALA 14 -10.702 -4.789 -2.951 106 H ASP 15 H ASP 15 -9.209 -3.839 -6.171 107 HA ASP 15 HA ASP 15 -7.092 -2.076 -6.811 108 1HB ASP 15 2HB ASP 15 -8.197 -3.479 -8.498 109 2HB ASP 15 1HB ASP 15 -9.687 -2.564 -8.293 110 H GLY 16 H GLY 16 -6.868 -0.041 -6.228 111 1HA GLY 16 2HA GLY 16 -7.586 2.244 -6.345 112 2HA GLY 16 1HA GLY 16 -9.246 1.695 -6.153 113 H ASP 17 H ASP 17 -7.156 0.040 -4.112 114 HA ASP 17 HA ASP 17 -8.200 1.486 -1.808 115 1HB ASP 17 2HB ASP 17 -7.851 -1.169 -2.239 116 2HB ASP 17 1HB ASP 17 -6.366 -0.792 -1.381 117 H ASN 18 H ASN 18 -6.513 1.562 0.120 118 HA ASN 18 HA ASN 18 -3.955 2.546 -0.924 119 1HB ASN 18 2HB ASN 18 -4.118 4.476 0.718 120 2HB ASN 18 1HB ASN 18 -5.097 4.578 -0.736 121 1HD2 ASN 18 1HD2 ASN 18 -6.528 5.965 0.074 122 2HD2 ASN 18 2HD2 ASN 18 -7.682 5.577 1.311 123 H VAL 19 H VAL 19 -2.224 2.403 0.371 124 HA VAL 19 HA VAL 19 -2.556 1.177 3.019 125 HB VAL 19 HB VAL 19 -0.707 -0.379 2.592 126 1HG1 VAL 19 1HG1 VAL 19 -2.950 -0.635 0.591 127 2HG1 VAL 19 2HG1 VAL 19 -2.973 -1.187 2.267 128 3HG1 VAL 19 3HG1 VAL 19 -1.880 -1.940 1.106 129 1HG2 VAL 19 1HG2 VAL 19 -0.867 0.524 -0.280 130 2HG2 VAL 19 2HG2 VAL 19 0.177 -0.742 0.367 131 3HG2 VAL 19 3HG2 VAL 19 0.424 0.938 0.844 132 H SER 20 H SER 20 -0.256 1.103 4.097 133 HA SER 20 HA SER 20 1.508 3.226 3.243 134 1HB SER 20 2HB SER 20 -0.032 3.391 5.833 135 2HB SER 20 1HB SER 20 1.390 4.371 5.486 136 HG SER 20 HG SER 20 -0.580 4.384 3.548 137 H LEU 21 H LEU 21 3.497 3.313 4.469 138 HA LEU 21 HA LEU 21 4.536 0.720 5.006 139 1HB LEU 21 2HB LEU 21 5.576 3.515 5.075 140 2HB LEU 21 1HB LEU 21 6.510 2.266 5.869 141 HG LEU 21 HG LEU 21 7.240 2.809 3.542 142 1HD1 LEU 21 1HD1 LEU 21 7.461 0.439 2.851 143 2HD1 LEU 21 2HD1 LEU 21 6.343 0.003 4.146 144 3HD1 LEU 21 3HD1 LEU 21 7.896 0.742 4.531 145 1HD2 LEU 21 1HD2 LEU 21 5.957 1.895 1.674 146 2HD2 LEU 21 2HD2 LEU 21 5.063 3.159 2.516 147 3HD2 LEU 21 3HD2 LEU 21 4.651 1.463 2.780 148 H ILE 22 H ILE 22 4.686 -0.389 6.866 149 HA ILE 22 HA ILE 22 3.880 0.908 9.362 150 HB ILE 22 HB ILE 22 3.794 -1.307 10.337 151 1HG1 ILE 22 2HG1 ILE 22 4.796 -2.342 7.677 152 2HG1 ILE 22 1HG1 ILE 22 5.766 -2.238 9.142 153 1HG2 ILE 22 1HG2 ILE 22 2.036 -2.283 8.974 154 2HG2 ILE 22 2HG2 ILE 22 2.534 -1.296 7.602 155 3HG2 ILE 22 3HG2 ILE 22 1.870 -0.528 9.044 156 1HD1 ILE 22 1HD1 ILE 22 4.266 -3.818 10.241 157 2HD1 ILE 22 2HD1 ILE 22 4.978 -4.495 8.776 158 3HD1 ILE 22 3HD1 ILE 22 3.308 -3.930 8.763 159 H LYS 23 H LYS 23 6.677 0.451 7.716 160 HA LYS 23 HA LYS 23 8.354 1.050 9.942 161 1HB LYS 23 2HB LYS 23 9.858 -1.004 9.453 162 2HB LYS 23 1HB LYS 23 8.436 -1.239 10.461 163 1HG LYS 23 2HG LYS 23 7.308 -2.411 8.840 164 2HG LYS 23 1HG LYS 23 8.226 -1.682 7.529 165 1HD LYS 23 2HD LYS 23 9.007 -3.878 7.605 166 2HD LYS 23 1HD LYS 23 10.234 -2.965 8.480 167 1HE LYS 23 2HE LYS 23 7.966 -4.435 9.809 168 2HE LYS 23 1HE LYS 23 9.557 -5.136 9.525 169 1HZ LYS 23 1HZ LYS 23 8.886 -2.822 11.262 170 2HZ LYS 23 2HZ LYS 23 10.476 -3.238 10.837 171 3HZ LYS 23 3HZ LYS 23 9.527 -4.321 11.730 172 H ASP 24 H ASP 24 10.781 0.827 9.064 173 HA ASP 24 HA ASP 24 10.775 2.295 6.549 174 1HB ASP 24 2HB ASP 24 13.227 1.526 8.126 175 2HB ASP 24 1HB ASP 24 13.046 2.845 6.987 176 H LEU 25 H LEU 25 10.711 1.140 4.729 177 HA LEU 25 HA LEU 25 12.305 -1.336 4.588 178 1HB LEU 25 2HB LEU 25 9.827 -0.485 3.117 179 2HB LEU 25 1HB LEU 25 10.875 -1.726 2.470 180 HG LEU 25 HG LEU 25 9.041 -2.779 3.580 181 1HD1 LEU 25 1HD1 LEU 25 11.133 -3.941 3.846 182 2HD1 LEU 25 2HD1 LEU 25 10.189 -4.092 5.331 183 3HD1 LEU 25 3HD1 LEU 25 11.541 -2.961 5.254 184 1HD2 LEU 25 1HD2 LEU 25 8.588 -2.452 5.953 185 2HD2 LEU 25 2HD2 LEU 25 8.336 -0.985 5.012 186 3HD2 LEU 25 3HD2 LEU 25 9.788 -1.161 5.997 187 H LYS 26 H LYS 26 14.144 -1.150 3.516 188 HA LYS 26 HA LYS 26 14.393 0.978 1.521 189 1HB LYS 26 2HB LYS 26 16.070 0.894 3.329 190 2HB LYS 26 1HB LYS 26 16.514 -0.720 2.817 191 1HG LYS 26 2HG LYS 26 16.684 1.107 0.608 192 2HG LYS 26 1HG LYS 26 17.638 1.677 1.980 193 1HD LYS 26 2HD LYS 26 17.810 -1.048 0.694 194 2HD LYS 26 1HD LYS 26 18.985 0.258 0.531 195 1HE LYS 26 2HE LYS 26 18.235 -1.048 3.141 196 2HE LYS 26 1HE LYS 26 19.642 -1.494 2.176 197 1HZ LYS 26 1HZ LYS 26 20.446 0.797 2.428 198 2HZ LYS 26 2HZ LYS 26 20.275 0.007 3.920 199 3HZ LYS 26 3HZ LYS 26 19.123 1.151 3.433 200 H LEU 27 H LEU 27 14.799 0.565 -0.563 201 HA LEU 27 HA LEU 27 14.103 -2.054 -1.527 202 1HB LEU 27 2HB LEU 27 13.296 0.121 -2.471 203 2HB LEU 27 1HB LEU 27 14.902 0.395 -3.098 204 HG LEU 27 HG LEU 27 13.442 -2.099 -3.876 205 1HD1 LEU 27 1HD1 LEU 27 13.020 0.616 -5.127 206 2HD1 LEU 27 2HD1 LEU 27 11.821 -0.292 -4.204 207 3HD1 LEU 27 3HD1 LEU 27 12.408 -0.919 -5.744 208 1HD2 LEU 27 1HD2 LEU 27 14.704 -1.785 -5.939 209 2HD2 LEU 27 2HD2 LEU 27 15.771 -1.805 -4.535 210 3HD2 LEU 27 3HD2 LEU 27 15.366 -0.276 -5.314 211 H LYS 28 H LYS 28 15.375 -3.385 -2.856 212 HA LYS 28 HA LYS 28 18.099 -3.441 -1.879 213 1HB LYS 28 2HB LYS 28 16.724 -5.454 -1.774 214 2HB LYS 28 1HB LYS 28 16.552 -5.445 -3.523 215 1HG LYS 28 2HG LYS 28 18.919 -5.856 -3.793 216 2HG LYS 28 1HG LYS 28 19.155 -5.769 -2.045 217 1HD LYS 28 2HD LYS 28 17.668 -7.708 -1.767 218 2HD LYS 28 1HD LYS 28 17.480 -7.803 -3.518 219 1HE LYS 28 2HE LYS 28 20.098 -8.051 -2.041 220 2HE LYS 28 1HE LYS 28 19.138 -9.407 -2.631 221 1HZ LYS 28 1HZ LYS 28 20.931 -8.842 -4.151 222 2HZ LYS 28 2HZ LYS 28 20.322 -7.270 -4.330 223 3HZ LYS 28 3HZ LYS 28 19.420 -8.600 -4.882 224 H GLY 29 H GLY 29 16.550 -3.604 -5.094 225 1HA GLY 29 2HA GLY 29 18.820 -3.801 -6.667 226 2HA GLY 29 1HA GLY 29 17.336 -3.006 -7.174 227 H SER 30 H SER 30 17.197 -0.810 -5.679 228 HA SER 30 HA SER 30 19.787 0.554 -5.848 229 1HB SER 30 2HB SER 30 17.116 1.699 -6.725 230 2HB SER 30 1HB SER 30 18.650 2.574 -6.689 231 HG SER 30 HG SER 30 19.387 0.769 -8.133 232 H SER 31 H SER 31 20.105 2.147 -4.245 233 HA SER 31 HA SER 31 18.861 1.455 -1.787 234 1HB SER 31 2HB SER 31 20.314 3.324 -0.874 235 2HB SER 31 1HB SER 31 21.165 2.029 -1.718 236 HG SER 31 HG SER 31 20.413 4.528 -2.842 237 H THR 32 H THR 32 16.651 1.984 -2.551 238 HA THR 32 HA THR 32 15.972 4.790 -1.995 239 HB THR 32 HB THR 32 14.216 2.586 -3.109 240 HG1 THR 32 1HG THR 32 16.120 3.897 -4.311 241 1HG2 THR 32 1HG2 THR 32 12.930 4.299 -1.938 242 2HG2 THR 32 2HG2 THR 32 12.678 4.424 -3.678 243 3HG2 THR 32 3HG2 THR 32 13.746 5.564 -2.858 244 H VAL 33 H VAL 33 15.711 5.093 0.152 245 HA VAL 33 HA VAL 33 14.766 2.874 1.797 246 HB VAL 33 HB VAL 33 15.531 5.595 2.831 247 1HG1 VAL 33 1HG1 VAL 33 15.663 2.844 4.060 248 2HG1 VAL 33 2HG1 VAL 33 14.394 4.036 4.351 249 3HG1 VAL 33 3HG1 VAL 33 16.050 4.368 4.862 250 1HG2 VAL 33 1HG2 VAL 33 17.392 3.296 2.243 251 2HG2 VAL 33 2HG2 VAL 33 17.818 4.757 3.133 252 3HG2 VAL 33 3HG2 VAL 33 17.374 4.861 1.430 253 H LEU 34 H LEU 34 12.620 2.659 1.817 254 HA LEU 34 HA LEU 34 10.906 5.018 1.837 255 1HB LEU 34 2HB LEU 34 10.283 2.067 1.652 256 2HB LEU 34 1HB LEU 34 9.081 3.338 1.633 257 HG LEU 34 HG LEU 34 11.262 3.429 -0.372 258 1HD1 LEU 34 1HD1 LEU 34 10.484 1.123 -0.474 259 2HD1 LEU 34 2HD1 LEU 34 9.982 2.034 -1.899 260 3HD1 LEU 34 3HD1 LEU 34 8.819 1.690 -0.616 261 1HD2 LEU 34 1HD2 LEU 34 9.713 5.292 -0.199 262 2HD2 LEU 34 2HD2 LEU 34 8.353 4.193 -0.420 263 3HD2 LEU 34 3HD2 LEU 34 9.504 4.446 -1.731 264 H LYS 35 H LYS 35 10.915 5.904 3.787 265 HA LYS 35 HA LYS 35 11.278 4.490 6.218 266 1HB LYS 35 2HB LYS 35 10.586 7.313 5.489 267 2HB LYS 35 1HB LYS 35 10.473 6.794 7.159 268 1HG LYS 35 2HG LYS 35 12.976 6.421 5.549 269 2HG LYS 35 1HG LYS 35 12.631 7.919 6.420 270 1HD LYS 35 2HD LYS 35 12.814 5.155 7.626 271 2HD LYS 35 1HD LYS 35 14.035 6.425 7.750 272 1HE LYS 35 2HE LYS 35 12.517 7.824 9.002 273 2HE LYS 35 1HE LYS 35 11.202 6.674 8.767 274 1HZ LYS 35 1HZ LYS 35 12.377 5.065 10.088 275 2HZ LYS 35 2HZ LYS 35 12.203 6.504 10.973 276 3HZ LYS 35 3HZ LYS 35 13.698 6.110 10.274 277 H ARG 36 H ARG 36 9.835 4.535 8.033 278 HA ARG 36 HA ARG 36 7.264 3.546 7.573 279 1HB ARG 36 2HB ARG 36 8.575 3.238 9.655 280 2HB ARG 36 1HB ARG 36 8.329 4.934 10.038 281 1HG ARG 36 2HG ARG 36 5.983 4.613 10.315 282 2HG ARG 36 1HG ARG 36 6.085 2.961 9.702 283 1HD ARG 36 2HD ARG 36 7.451 2.320 11.596 284 2HD ARG 36 1HD ARG 36 7.425 3.976 12.201 285 HE ARG 36 HE ARG 36 4.775 3.147 11.931 286 1HH1 ARG 36 1HH1 ARG 36 7.599 2.384 13.837 287 2HH1 ARG 36 2HH1 ARG 36 6.699 1.790 15.201 288 1HH2 ARG 36 1HH2 ARG 36 3.555 2.415 13.744 289 2HH2 ARG 36 2HH2 ARG 36 4.391 1.836 15.153 290 H GLY 37 H GLY 37 5.317 4.491 7.299 291 1HA GLY 37 2HA GLY 37 3.774 6.303 7.671 292 2HA GLY 37 1HA GLY 37 5.140 7.408 7.677 293 H THR 38 H THR 38 6.150 5.750 5.253 294 HA THR 38 HA THR 38 5.312 7.419 3.189 295 HB THR 38 HB THR 38 6.241 4.541 2.916 296 HG1 THR 38 1HG THR 38 7.912 5.530 3.897 297 1HG2 THR 38 1HG2 THR 38 7.009 5.233 0.690 298 2HG2 THR 38 2HG2 THR 38 6.327 6.840 0.949 299 3HG2 THR 38 3HG2 THR 38 5.265 5.436 0.850 300 H MET 39 H MET 39 3.433 7.576 2.106 301 HA MET 39 HA MET 39 1.434 5.515 2.665 302 1HB MET 39 2HB MET 39 1.039 7.948 3.276 303 2HB MET 39 1HB MET 39 0.911 8.262 1.549 304 1HG MET 39 2HG MET 39 -0.987 6.861 1.347 305 2HG MET 39 1HG MET 39 -0.777 6.236 2.982 306 1HE MET 39 1HE MET 39 -3.612 6.962 2.657 307 2HE MET 39 2HE MET 39 -3.849 8.034 4.039 308 3HE MET 39 3HE MET 39 -2.783 6.630 4.180 309 H ILE 40 H ILE 40 0.915 4.135 1.165 310 HA ILE 40 HA ILE 40 1.409 4.853 -1.654 311 HB ILE 40 HB ILE 40 1.213 2.071 -0.470 312 1HG1 ILE 40 2HG1 ILE 40 3.626 3.644 -1.403 313 2HG1 ILE 40 1HG1 ILE 40 3.254 3.211 0.262 314 1HG2 ILE 40 1HG2 ILE 40 2.025 2.956 -3.240 315 2HG2 ILE 40 2HG2 ILE 40 0.475 2.233 -2.813 316 3HG2 ILE 40 3HG2 ILE 40 1.960 1.296 -2.647 317 1HD1 ILE 40 1HD1 ILE 40 3.886 1.289 -1.966 318 2HD1 ILE 40 2HD1 ILE 40 3.513 0.849 -0.297 319 3HD1 ILE 40 3HD1 ILE 40 4.973 1.770 -0.662 320 H ARG 41 H ARG 41 -0.534 5.830 -2.045 321 HA ARG 41 HA ARG 41 -2.957 4.256 -1.609 322 1HB ARG 41 2HB ARG 41 -3.875 6.676 -2.444 323 2HB ARG 41 1HB ARG 41 -3.630 6.224 -0.768 324 1HG ARG 41 2HG ARG 41 -2.673 8.362 -1.059 325 2HG ARG 41 1HG ARG 41 -1.345 7.214 -0.905 326 1HD ARG 41 2HD ARG 41 -1.200 7.189 -3.409 327 2HD ARG 41 1HD ARG 41 -2.370 8.510 -3.425 328 HE ARG 41 HE ARG 41 0.290 8.679 -2.155 329 1HH1 ARG 41 1HH1 ARG 41 -2.376 10.123 -3.907 330 2HH1 ARG 41 2HH1 ARG 41 -1.608 11.680 -4.041 331 1HH2 ARG 41 1HH2 ARG 41 1.307 10.720 -2.327 332 2HH2 ARG 41 2HH2 ARG 41 0.495 12.011 -3.157 333 H GLY 42 H GLY 42 -4.229 3.573 -3.245 334 1HA GLY 42 2HA GLY 42 -4.974 3.538 -5.509 335 2HA GLY 42 1HA GLY 42 -3.477 4.333 -5.983 336 H ILE 43 H ILE 43 -4.200 1.416 -4.070 337 HA ILE 43 HA ILE 43 -2.201 -0.005 -5.679 338 HB ILE 43 HB ILE 43 -2.038 -1.626 -3.914 339 1HG1 ILE 43 2HG1 ILE 43 -3.421 -0.894 -1.721 340 2HG1 ILE 43 1HG1 ILE 43 -4.558 -0.377 -2.959 341 1HG2 ILE 43 1HG2 ILE 43 -2.097 1.149 -2.749 342 2HG2 ILE 43 2HG2 ILE 43 -0.758 0.419 -3.634 343 3HG2 ILE 43 3HG2 ILE 43 -1.243 -0.236 -2.072 344 1HD1 ILE 43 1HD1 ILE 43 -4.593 -2.640 -3.871 345 2HD1 ILE 43 2HD1 ILE 43 -5.064 -2.615 -2.172 346 3HD1 ILE 43 3HD1 ILE 43 -3.450 -3.156 -2.634 347 H ARG 44 H ARG 44 -2.676 -2.314 -6.119 348 HA ARG 44 HA ARG 44 -5.518 -2.925 -6.449 349 1HB ARG 44 2HB ARG 44 -5.012 -3.711 -8.797 350 2HB ARG 44 1HB ARG 44 -5.010 -1.967 -8.567 351 1HG ARG 44 2HG ARG 44 -2.597 -1.940 -8.501 352 2HG ARG 44 1HG ARG 44 -2.549 -3.701 -8.619 353 1HD ARG 44 2HD ARG 44 -2.092 -2.689 -10.773 354 2HD ARG 44 1HD ARG 44 -3.613 -3.576 -10.810 355 HE ARG 44 HE ARG 44 -4.664 -1.293 -10.472 356 1HH1 ARG 44 1HH1 ARG 44 -1.543 -1.666 -12.019 357 2HH1 ARG 44 2HH1 ARG 44 -1.797 -0.357 -13.141 358 1HH2 ARG 44 1HH2 ARG 44 -4.991 0.453 -11.901 359 2HH2 ARG 44 2HH2 ARG 44 -3.762 0.859 -13.065 360 H LEU 45 H LEU 45 -5.904 -5.218 -6.900 361 HA LEU 45 HA LEU 45 -4.056 -6.879 -5.444 362 1HB LEU 45 2HB LEU 45 -6.538 -7.696 -6.956 363 2HB LEU 45 1HB LEU 45 -5.667 -8.667 -5.785 364 HG LEU 45 HG LEU 45 -7.311 -6.204 -5.264 365 1HD1 LEU 45 1HD1 LEU 45 -7.534 -9.035 -4.270 366 2HD1 LEU 45 2HD1 LEU 45 -8.553 -8.285 -5.498 367 3HD1 LEU 45 3HD1 LEU 45 -8.598 -7.697 -3.835 368 1HD2 LEU 45 1HD2 LEU 45 -6.690 -6.402 -2.920 369 2HD2 LEU 45 2HD2 LEU 45 -5.280 -6.072 -3.928 370 3HD2 LEU 45 3HD2 LEU 45 -5.569 -7.704 -3.322 371 H THR 46 H THR 46 -2.785 -8.504 -6.245 372 HA THR 46 HA THR 46 -2.132 -8.178 -9.097 373 HB THR 46 HB THR 46 -0.193 -9.397 -7.201 374 HG1 THR 46 1HG THR 46 -1.441 -7.032 -6.723 375 1HG2 THR 46 1HG2 THR 46 0.406 -8.923 -9.550 376 2HG2 THR 46 2HG2 THR 46 1.392 -8.005 -8.415 377 3HG2 THR 46 3HG2 THR 46 0.071 -7.211 -9.271 378 H ASP 47 H ASP 47 -0.671 -10.310 -9.710 379 HA ASP 47 HA ASP 47 -2.316 -12.582 -9.777 380 1HB ASP 47 2HB ASP 47 0.704 -12.419 -10.016 381 2HB ASP 47 1HB ASP 47 -0.272 -13.815 -10.459 382 H SER 48 H SER 48 0.176 -11.522 -7.589 383 HA SER 48 HA SER 48 -0.063 -13.841 -5.886 384 1HB SER 48 2HB SER 48 1.509 -11.272 -5.647 385 2HB SER 48 1HB SER 48 1.595 -12.589 -4.493 386 HG SER 48 HG SER 48 3.041 -13.419 -5.750 387 H GLU 49 H GLU 49 -0.980 -13.824 -3.851 388 HA GLU 49 HA GLU 49 -2.616 -11.477 -3.205 389 1HB GLU 49 2HB GLU 49 -3.907 -12.952 -1.732 390 2HB GLU 49 1HB GLU 49 -3.904 -13.526 -3.387 391 1HG GLU 49 2HG GLU 49 -2.199 -14.624 -1.163 392 2HG GLU 49 1HG GLU 49 -3.707 -15.326 -1.737 393 H ASP 50 H ASP 50 0.255 -12.830 -2.549 394 HA ASP 50 HA ASP 50 0.422 -11.817 0.186 395 1HB ASP 50 2HB ASP 50 1.539 -13.970 -0.411 396 2HB ASP 50 1HB ASP 50 2.549 -13.093 -1.553 397 H GLU 51 H GLU 51 0.507 -10.688 -2.879 398 HA GLU 51 HA GLU 51 2.234 -8.430 -2.180 399 1HB GLU 51 2HB GLU 51 2.463 -10.254 -4.501 400 2HB GLU 51 1HB GLU 51 2.666 -8.547 -4.827 401 1HG GLU 51 2HG GLU 51 4.522 -8.373 -3.422 402 2HG GLU 51 1HG GLU 51 4.180 -9.914 -2.650 403 H ILE 52 H ILE 52 1.787 -6.542 -3.303 404 HA ILE 52 HA ILE 52 -0.623 -6.506 -4.958 405 HB ILE 52 HB ILE 52 -1.321 -4.335 -3.930 406 1HG1 ILE 52 2HG1 ILE 52 0.274 -5.048 -1.503 407 2HG1 ILE 52 1HG1 ILE 52 1.046 -4.152 -2.806 408 1HG2 ILE 52 1HG2 ILE 52 -2.478 -6.403 -3.388 409 2HG2 ILE 52 2HG2 ILE 52 -2.434 -5.317 -1.999 410 3HG2 ILE 52 3HG2 ILE 52 -1.344 -6.702 -2.071 411 1HD1 ILE 52 1HD1 ILE 52 -0.711 -2.447 -2.634 412 2HD1 ILE 52 2HD1 ILE 52 0.223 -2.629 -1.147 413 3HD1 ILE 52 3HD1 ILE 52 -1.395 -3.324 -1.264 414 H GLU 53 H GLU 53 -0.787 -4.380 -6.116 415 HA GLU 53 HA GLU 53 1.880 -3.234 -6.579 416 1HB GLU 53 2HB GLU 53 1.100 -4.658 -8.429 417 2HB GLU 53 1HB GLU 53 -0.346 -3.685 -8.545 418 1HG GLU 53 2HG GLU 53 2.129 -2.150 -8.752 419 2HG GLU 53 1HG GLU 53 1.908 -3.342 -10.030 420 H GLY 54 H GLY 54 1.993 -1.081 -6.309 421 1HA GLY 54 2HA GLY 54 -0.522 0.432 -6.287 422 2HA GLY 54 1HA GLY 54 0.509 0.470 -4.864 423 H ARG 55 H ARG 55 0.293 2.820 -5.467 424 HA ARG 55 HA ARG 55 2.622 3.511 -7.096 425 1HB ARG 55 2HB ARG 55 1.465 5.322 -8.174 426 2HB ARG 55 1HB ARG 55 0.560 3.840 -8.442 427 1HG ARG 55 2HG ARG 55 -0.877 4.549 -6.471 428 2HG ARG 55 1HG ARG 55 -0.108 6.127 -6.631 429 1HD ARG 55 2HD ARG 55 -2.140 6.205 -7.861 430 2HD ARG 55 1HD ARG 55 -0.819 6.131 -9.027 431 HE ARG 55 HE ARG 55 -1.380 3.592 -8.956 432 1HH1 ARG 55 1HH1 ARG 55 -3.679 6.242 -8.816 433 2HH1 ARG 55 2HH1 ARG 55 -4.979 5.299 -9.488 434 1HH2 ARG 55 1HH2 ARG 55 -3.077 2.368 -9.839 435 2HH2 ARG 55 2HH2 ARG 55 -4.638 3.098 -10.072 436 H THR 56 H THR 56 3.768 5.250 -6.377 437 HA THR 56 HA THR 56 3.000 6.259 -3.720 438 HB THR 56 HB THR 56 5.384 6.587 -3.261 439 HG1 THR 56 1HG THR 56 5.814 5.395 -5.817 440 1HG2 THR 56 1HG2 THR 56 4.815 3.819 -4.323 441 2HG2 THR 56 2HG2 THR 56 4.482 4.398 -2.688 442 3HG2 THR 56 3HG2 THR 56 6.149 4.246 -3.253 443 H ASP 57 H ASP 57 4.598 8.379 -3.434 444 HA ASP 57 HA ASP 57 3.507 10.371 -5.109 445 1HB ASP 57 2HB ASP 57 5.785 10.374 -3.138 446 2HB ASP 57 1HB ASP 57 5.356 11.812 -4.059 447 H LYS 58 H LYS 58 6.307 8.363 -5.404 448 HA LYS 58 HA LYS 58 7.198 9.928 -7.734 449 1HB LYS 58 2HB LYS 58 8.828 9.822 -5.841 450 2HB LYS 58 1HB LYS 58 8.866 8.077 -6.021 451 1HG LYS 58 2HG LYS 58 9.781 8.277 -8.236 452 2HG LYS 58 1HG LYS 58 9.627 10.032 -8.165 453 1HD LYS 58 2HD LYS 58 11.358 8.365 -6.342 454 2HD LYS 58 1HD LYS 58 11.936 9.265 -7.745 455 1HE LYS 58 2HE LYS 58 11.131 11.347 -6.712 456 2HE LYS 58 1HE LYS 58 10.608 10.430 -5.301 457 1HZ LYS 58 1HZ LYS 58 12.879 9.818 -4.861 458 2HZ LYS 58 2HZ LYS 58 12.775 11.502 -4.992 459 3HZ LYS 58 3HZ LYS 58 13.411 10.591 -6.271 460 H ILE 59 H ILE 59 7.399 6.634 -6.438 461 HA ILE 59 HA ILE 59 7.661 5.533 -9.109 462 HB ILE 59 HB ILE 59 7.443 3.968 -6.541 463 1HG1 ILE 59 2HG1 ILE 59 9.170 5.652 -6.180 464 2HG1 ILE 59 1HG1 ILE 59 9.911 4.065 -6.384 465 1HG2 ILE 59 1HG2 ILE 59 8.808 2.334 -7.760 466 2HG2 ILE 59 2HG2 ILE 59 8.798 3.393 -9.172 467 3HG2 ILE 59 3HG2 ILE 59 7.290 2.682 -8.591 468 1HD1 ILE 59 1HD1 ILE 59 9.722 6.209 -8.478 469 2HD1 ILE 59 2HD1 ILE 59 10.486 4.631 -8.677 470 3HD1 ILE 59 3HD1 ILE 59 11.155 5.799 -7.537 471 H LYS 60 H LYS 60 5.852 5.184 -10.252 472 HA LYS 60 HA LYS 60 3.436 4.360 -8.807 473 1HB LYS 60 2HB LYS 60 2.182 4.935 -10.775 474 2HB LYS 60 1HB LYS 60 3.252 6.277 -10.395 475 1HG LYS 60 2HG LYS 60 4.722 5.721 -12.173 476 2HG LYS 60 1HG LYS 60 3.912 4.176 -12.439 477 1HD LYS 60 2HD LYS 60 3.228 5.732 -14.144 478 2HD LYS 60 1HD LYS 60 1.863 5.410 -13.074 479 1HE LYS 60 2HE LYS 60 2.435 7.505 -11.847 480 2HE LYS 60 1HE LYS 60 3.649 7.834 -13.083 481 1HZ LYS 60 1HZ LYS 60 1.661 9.009 -13.627 482 2HZ LYS 60 2HZ LYS 60 0.719 7.609 -13.475 483 3HZ LYS 60 3HZ LYS 60 1.838 7.744 -14.746 484 H GLY 61 H GLY 61 2.379 2.450 -9.300 485 1HA GLY 61 2HA GLY 61 2.041 0.355 -10.154 486 2HA GLY 61 1HA GLY 61 2.991 0.843 -11.548 487 H LEU 62 H LEU 62 3.866 0.506 -8.107 488 HA LEU 62 HA LEU 62 5.922 -1.398 -8.984 489 1HB LEU 62 2HB LEU 62 7.309 -0.775 -7.225 490 2HB LEU 62 1HB LEU 62 6.648 0.739 -7.790 491 HG LEU 62 HG LEU 62 5.594 -0.725 -5.377 492 1HD1 LEU 62 1HD1 LEU 62 7.603 1.524 -5.528 493 2HD1 LEU 62 2HD1 LEU 62 7.933 -0.134 -5.023 494 3HD1 LEU 62 3HD1 LEU 62 6.878 0.891 -4.051 495 1HD2 LEU 62 1HD2 LEU 62 4.018 0.854 -6.336 496 2HD2 LEU 62 2HD2 LEU 62 5.255 2.110 -6.357 497 3HD2 LEU 62 3HD2 LEU 62 4.659 1.487 -4.818 498 H VAL 63 H VAL 63 5.942 -3.398 -8.198 499 HA VAL 63 HA VAL 63 3.576 -4.225 -6.709 500 HB VAL 63 HB VAL 63 5.657 -5.940 -8.073 501 1HG1 VAL 63 1HG1 VAL 63 4.466 -7.122 -6.312 502 2HG1 VAL 63 2HG1 VAL 63 3.976 -7.716 -7.900 503 3HG1 VAL 63 3HG1 VAL 63 2.924 -6.621 -7.004 504 1HG2 VAL 63 1HG2 VAL 63 4.485 -4.535 -9.685 505 2HG2 VAL 63 2HG2 VAL 63 2.937 -5.097 -9.056 506 3HG2 VAL 63 3HG2 VAL 63 4.024 -6.228 -9.863 507 H LEU 64 H LEU 64 3.692 -4.498 -4.617 508 HA LEU 64 HA LEU 64 6.284 -5.258 -3.436 509 1HB LEU 64 2HB LEU 64 4.445 -3.040 -2.624 510 2HB LEU 64 1HB LEU 64 5.439 -3.838 -1.424 511 HG LEU 64 HG LEU 64 6.595 -2.607 -3.915 512 1HD1 LEU 64 1HD1 LEU 64 6.291 -1.376 -1.180 513 2HD1 LEU 64 2HD1 LEU 64 5.458 -0.867 -2.651 514 3HD1 LEU 64 3HD1 LEU 64 7.208 -0.696 -2.525 515 1HD2 LEU 64 1HD2 LEU 64 8.647 -2.628 -2.469 516 2HD2 LEU 64 2HD2 LEU 64 8.043 -4.219 -2.932 517 3HD2 LEU 64 3HD2 LEU 64 7.735 -3.602 -1.307 518 H ARG 65 H ARG 65 6.280 -6.657 -1.801 519 HA ARG 65 HA ARG 65 4.136 -8.351 -1.248 520 1HB ARG 65 2HB ARG 65 5.522 -8.866 0.862 521 2HB ARG 65 1HB ARG 65 6.254 -9.181 -0.700 522 1HG ARG 65 2HG ARG 65 7.536 -7.168 -0.577 523 2HG ARG 65 1HG ARG 65 6.718 -6.676 0.899 524 1HD ARG 65 2HD ARG 65 8.758 -7.554 1.635 525 2HD ARG 65 1HD ARG 65 7.616 -8.874 1.885 526 HE ARG 65 HE ARG 65 9.046 -8.881 -0.646 527 1HH1 ARG 65 1HH1 ARG 65 8.751 -10.169 2.602 528 2HH1 ARG 65 2HH1 ARG 65 9.891 -11.456 2.324 529 1HH2 ARG 65 1HH2 ARG 65 10.528 -10.590 -1.008 530 2HH2 ARG 65 2HH2 ARG 65 10.857 -11.725 0.272 531 H THR 66 H THR 66 2.502 -8.302 0.198 532 HA THR 66 HA THR 66 2.018 -5.696 1.420 533 HB THR 66 HB THR 66 0.259 -6.719 0.028 534 HG1 THR 66 1HG THR 66 -1.025 -6.833 2.454 535 1HG2 THR 66 1HG2 THR 66 0.662 -9.073 0.528 536 2HG2 THR 66 2HG2 THR 66 -1.017 -8.644 0.862 537 3HG2 THR 66 3HG2 THR 66 0.130 -8.824 2.191 538 H GLU 67 H GLU 67 4.035 -7.412 2.594 539 HA GLU 67 HA GLU 67 2.845 -8.528 5.007 540 1HB GLU 67 2HB GLU 67 5.786 -8.124 4.559 541 2HB GLU 67 1HB GLU 67 4.984 -9.344 5.535 542 1HG GLU 67 2HG GLU 67 4.109 -10.319 3.414 543 2HG GLU 67 1HG GLU 67 5.160 -9.208 2.548 544 H PHE 68 H PHE 68 4.513 -5.720 3.919 545 HA PHE 68 HA PHE 68 4.754 -4.750 6.683 546 1HB PHE 68 2HB PHE 68 6.646 -3.394 5.912 547 2HB PHE 68 1HB PHE 68 6.900 -5.105 5.588 548 HD1 PHE 68 1HD PHE 68 6.006 -1.882 4.002 549 HD2 PHE 68 2HD PHE 68 7.293 -5.895 3.419 550 HE1 PHE 68 1HE PHE 68 6.520 -1.372 1.653 551 HE2 PHE 68 2HE PHE 68 7.805 -5.388 1.068 552 HZ PHE 68 HZ PHE 68 7.419 -3.127 0.183 553 H LEU 69 H LEU 69 2.543 -4.507 4.561 554 HA LEU 69 HA LEU 69 2.404 -1.570 4.581 555 1HB LEU 69 2HB LEU 69 0.998 -3.456 2.701 556 2HB LEU 69 1HB LEU 69 0.922 -1.711 2.654 557 HG LEU 69 HG LEU 69 3.445 -3.302 2.195 558 1HD1 LEU 69 1HD1 LEU 69 3.142 -2.730 -0.168 559 2HD1 LEU 69 2HD1 LEU 69 1.570 -2.025 0.212 560 3HD1 LEU 69 3HD1 LEU 69 1.837 -3.753 0.435 561 1HD2 LEU 69 1HD2 LEU 69 2.773 -0.384 1.823 562 2HD2 LEU 69 2HD2 LEU 69 4.267 -1.157 1.289 563 3HD2 LEU 69 3HD2 LEU 69 3.884 -1.073 3.008 564 H LYS 70 H LYS 70 0.633 -0.590 5.248 565 HA LYS 70 HA LYS 70 -1.297 -2.263 6.704 566 1HB LYS 70 2HB LYS 70 0.433 -0.503 7.797 567 2HB LYS 70 1HB LYS 70 -0.913 0.579 7.458 568 1HG LYS 70 2HG LYS 70 -1.273 -2.005 8.909 569 2HG LYS 70 1HG LYS 70 -0.828 -0.518 9.749 570 1HD LYS 70 2HD LYS 70 -3.231 -0.690 7.947 571 2HD LYS 70 1HD LYS 70 -3.313 -1.096 9.661 572 1HE LYS 70 2HE LYS 70 -2.512 1.137 10.236 573 2HE LYS 70 1HE LYS 70 -2.390 1.543 8.526 574 1HZ LYS 70 1HZ LYS 70 -4.898 0.879 9.981 575 2HZ LYS 70 2HZ LYS 70 -4.785 1.245 8.329 576 3HZ LYS 70 3HZ LYS 70 -4.411 2.427 9.484 577 H LYS 71 H LYS 71 -3.412 -1.979 6.257 578 HA LYS 71 HA LYS 71 -4.162 -0.490 3.958 579 1HB LYS 71 2HB LYS 71 -5.270 -2.594 4.932 580 2HB LYS 71 1HB LYS 71 -6.059 -1.512 6.066 581 1HG LYS 71 2HG LYS 71 -6.267 -1.084 3.116 582 2HG LYS 71 1HG LYS 71 -7.322 -2.210 3.955 583 1HD LYS 71 2HD LYS 71 -7.996 -0.337 5.463 584 2HD LYS 71 1HD LYS 71 -7.063 0.752 4.431 585 1HE LYS 71 2HE LYS 71 -8.437 0.123 2.517 586 2HE LYS 71 1HE LYS 71 -9.354 -0.990 3.530 587 1HZ LYS 71 1HZ LYS 71 -10.593 1.004 3.311 588 2HZ LYS 71 2HZ LYS 71 -9.267 1.963 3.733 589 3HZ LYS 71 3HZ LYS 71 -9.992 0.966 4.898 590 H ALA 72 H ALA 72 -4.700 1.602 3.805 591 HA ALA 72 HA ALA 72 -4.059 3.203 6.088 592 1HB ALA 72 1HB ALA 72 -3.354 3.804 3.818 593 2HB ALA 72 2HB ALA 72 -4.252 5.100 4.606 594 3HB ALA 72 3HB ALA 72 -5.038 4.098 3.385 595 H GLY 73 H GLY 73 -6.888 3.593 3.948 596 1HA GLY 73 2HA GLY 73 -8.892 3.303 5.831 597 2HA GLY 73 1HA GLY 73 -8.342 4.966 5.980 598 H SER 74 H SER 74 -9.588 6.328 4.897 599 HA SER 74 HA SER 74 -11.006 5.338 2.538 600 1HB SER 74 2HB SER 74 -12.281 7.576 2.878 601 2HB SER 74 1HB SER 74 -12.581 6.250 4.000 602 HG SER 74 HG SER 74 -10.528 8.043 4.637 Start of MODEL 17 1 1H MET 1 1HT MET 1 -10.613 -21.590 -5.132 2 2H MET 1 2HT MET 1 -9.726 -22.572 -6.190 3 3H MET 1 3HT MET 1 -10.397 -21.113 -6.744 4 HA MET 1 HA MET 1 -8.338 -21.308 -4.632 5 1HB MET 1 2HB MET 1 -7.496 -22.074 -6.835 6 2HB MET 1 1HB MET 1 -8.000 -20.544 -7.540 7 1HG MET 1 2HG MET 1 -6.439 -19.356 -6.088 8 2HG MET 1 1HG MET 1 -5.938 -20.886 -5.371 9 1HE MET 1 1HE MET 1 -5.963 -22.774 -8.021 10 2HE MET 1 2HE MET 1 -4.748 -22.826 -6.744 11 3HE MET 1 3HE MET 1 -4.250 -22.681 -8.430 12 H SER 2 H SER 2 -9.138 -19.723 -3.337 13 HA SER 2 HA SER 2 -9.740 -17.122 -4.548 14 1HB SER 2 2HB SER 2 -10.158 -18.085 -1.710 15 2HB SER 2 1HB SER 2 -10.687 -16.536 -2.366 16 HG SER 2 HG SER 2 -11.642 -18.306 -4.004 17 H ILE 3 H ILE 3 -8.365 -15.458 -4.375 18 HA ILE 3 HA ILE 3 -5.918 -15.942 -2.822 19 HB ILE 3 HB ILE 3 -4.769 -14.476 -4.473 20 1HG1 ILE 3 2HG1 ILE 3 -7.354 -14.742 -6.031 21 2HG1 ILE 3 1HG1 ILE 3 -6.773 -13.261 -5.281 22 1HG2 ILE 3 1HG2 ILE 3 -4.607 -16.874 -4.658 23 2HG2 ILE 3 2HG2 ILE 3 -4.725 -16.174 -6.274 24 3HG2 ILE 3 3HG2 ILE 3 -6.133 -16.943 -5.540 25 1HD1 ILE 3 1HD1 ILE 3 -5.386 -14.761 -7.489 26 2HD1 ILE 3 2HD1 ILE 3 -4.851 -13.247 -6.759 27 3HD1 ILE 3 3HD1 ILE 3 -6.353 -13.298 -7.679 28 H GLU 4 H GLU 4 -7.741 -14.946 -1.311 29 HA GLU 4 HA GLU 4 -8.226 -12.225 -1.222 30 1HB GLU 4 2HB GLU 4 -7.911 -14.258 0.970 31 2HB GLU 4 1HB GLU 4 -8.310 -12.581 1.310 32 1HG GLU 4 2HG GLU 4 -10.336 -12.745 0.041 33 2HG GLU 4 1HG GLU 4 -9.920 -14.374 -0.480 34 H VAL 5 H VAL 5 -6.981 -10.539 -1.047 35 HA VAL 5 HA VAL 5 -4.243 -10.883 -0.016 36 HB VAL 5 HB VAL 5 -5.224 -8.497 -1.575 37 1HG1 VAL 5 1HG1 VAL 5 -2.838 -8.245 -2.102 38 2HG1 VAL 5 2HG1 VAL 5 -2.483 -9.666 -1.119 39 3HG1 VAL 5 3HG1 VAL 5 -3.140 -8.213 -0.364 40 1HG2 VAL 5 1HG2 VAL 5 -3.931 -10.960 -2.737 41 2HG2 VAL 5 2HG2 VAL 5 -4.388 -9.497 -3.612 42 3HG2 VAL 5 3HG2 VAL 5 -5.633 -10.532 -2.910 43 H ARG 6 H ARG 6 -3.766 -10.026 1.909 44 HA ARG 6 HA ARG 6 -5.352 -7.743 2.858 45 1HB ARG 6 2HB ARG 6 -4.439 -9.861 4.792 46 2HB ARG 6 1HB ARG 6 -5.647 -8.611 5.021 47 1HG ARG 6 2HG ARG 6 -7.040 -10.377 4.784 48 2HG ARG 6 1HG ARG 6 -6.847 -9.973 3.079 49 1HD ARG 6 2HD ARG 6 -5.318 -11.699 2.709 50 2HD ARG 6 1HD ARG 6 -4.987 -11.894 4.429 51 HE ARG 6 HE ARG 6 -7.665 -12.477 4.093 52 1HH1 ARG 6 1HH1 ARG 6 -4.642 -13.730 2.830 53 2HH1 ARG 6 2HH1 ARG 6 -5.204 -15.374 2.757 54 1HH2 ARG 6 1HH2 ARG 6 -8.402 -14.637 4.003 55 2HH2 ARG 6 2HH2 ARG 6 -7.336 -15.887 3.433 56 H ASP 7 H ASP 7 -4.262 -6.484 4.524 57 HA ASP 7 HA ASP 7 -1.453 -6.181 3.900 58 1HB ASP 7 2HB ASP 7 -1.574 -4.163 5.238 59 2HB ASP 7 1HB ASP 7 -2.971 -4.230 4.174 60 H CYS 8 H CYS 8 -0.307 -5.352 6.232 61 HA CYS 8 HA CYS 8 0.349 -7.808 7.488 62 1HB CYS 8 2HB CYS 8 1.711 -6.417 9.009 63 2HB CYS 8 1HB CYS 8 1.966 -5.990 7.319 64 HG CYS 8 HG CYS 8 0.591 -3.644 7.372 65 H ASN 9 H ASN 9 -2.104 -5.521 8.013 66 HA ASN 9 HA ASN 9 -2.550 -6.041 10.814 67 1HB ASN 9 2HB ASN 9 -3.138 -3.935 9.349 68 2HB ASN 9 1HB ASN 9 -4.578 -4.847 8.960 69 1HD2 ASN 9 1HD2 ASN 9 -5.759 -3.168 9.921 70 2HD2 ASN 9 2HD2 ASN 9 -5.932 -3.075 11.642 71 H GLY 10 H GLY 10 -4.118 -6.789 7.744 72 1HA GLY 10 2HA GLY 10 -4.952 -9.144 7.552 73 2HA GLY 10 1HA GLY 10 -5.701 -8.869 9.117 74 H ALA 11 H ALA 11 -5.637 -6.165 7.056 75 HA ALA 11 HA ALA 11 -8.519 -6.381 6.631 76 1HB ALA 11 1HB ALA 11 -8.416 -4.049 5.969 77 2HB ALA 11 2HB ALA 11 -6.653 -4.087 6.025 78 3HB ALA 11 3HB ALA 11 -7.587 -4.274 7.510 79 H LEU 12 H LEU 12 -9.437 -6.728 4.694 80 HA LEU 12 HA LEU 12 -7.798 -7.777 2.610 81 1HB LEU 12 2HB LEU 12 -10.738 -7.367 2.986 82 2HB LEU 12 1HB LEU 12 -10.113 -7.801 1.406 83 HG LEU 12 HG LEU 12 -9.450 -9.446 3.839 84 1HD1 LEU 12 1HD1 LEU 12 -11.898 -9.284 3.701 85 2HD1 LEU 12 2HD1 LEU 12 -11.330 -10.898 3.272 86 3HD1 LEU 12 3HD1 LEU 12 -11.833 -9.774 2.008 87 1HD2 LEU 12 1HD2 LEU 12 -9.601 -10.052 0.886 88 2HD2 LEU 12 2HD2 LEU 12 -9.127 -11.182 2.155 89 3HD2 LEU 12 3HD2 LEU 12 -8.127 -9.771 1.810 90 H LEU 13 H LEU 13 -7.207 -6.938 0.724 91 HA LEU 13 HA LEU 13 -7.710 -4.072 0.320 92 1HB LEU 13 2HB LEU 13 -5.528 -5.895 -0.694 93 2HB LEU 13 1HB LEU 13 -5.698 -4.213 -1.163 94 HG LEU 13 HG LEU 13 -5.260 -5.129 1.678 95 1HD1 LEU 13 1HD1 LEU 13 -3.337 -5.688 0.266 96 2HD1 LEU 13 2HD1 LEU 13 -2.960 -4.384 1.392 97 3HD1 LEU 13 3HD1 LEU 13 -3.276 -4.020 -0.305 98 1HD2 LEU 13 1HD2 LEU 13 -5.088 -2.409 0.383 99 2HD2 LEU 13 2HD2 LEU 13 -4.735 -2.781 2.073 100 3HD2 LEU 13 3HD2 LEU 13 -6.375 -2.967 1.454 101 H ALA 14 H ALA 14 -7.697 -3.385 -2.004 102 HA ALA 14 HA ALA 14 -8.423 -5.277 -4.028 103 1HB ALA 14 1HB ALA 14 -10.570 -5.063 -2.829 104 2HB ALA 14 2HB ALA 14 -10.658 -4.440 -4.475 105 3HB ALA 14 3HB ALA 14 -10.538 -3.323 -3.116 106 H ASP 15 H ASP 15 -9.061 -3.981 -6.100 107 HA ASP 15 HA ASP 15 -7.066 -2.049 -6.606 108 1HB ASP 15 2HB ASP 15 -8.041 -3.402 -8.414 109 2HB ASP 15 1HB ASP 15 -9.593 -2.605 -8.182 110 H GLY 16 H GLY 16 -6.985 -0.010 -6.041 111 1HA GLY 16 2HA GLY 16 -7.914 2.210 -6.057 112 2HA GLY 16 1HA GLY 16 -9.501 1.506 -5.774 113 H ASP 17 H ASP 17 -7.333 -0.120 -3.894 114 HA ASP 17 HA ASP 17 -8.231 1.247 -1.505 115 1HB ASP 17 2HB ASP 17 -7.822 -1.354 -1.961 116 2HB ASP 17 1HB ASP 17 -6.220 -0.945 -1.363 117 H ASN 18 H ASN 18 -6.418 1.392 0.279 118 HA ASN 18 HA ASN 18 -3.976 2.533 -0.854 119 1HB ASN 18 2HB ASN 18 -4.318 4.435 0.934 120 2HB ASN 18 1HB ASN 18 -5.020 4.570 -0.674 121 1HD2 ASN 18 1HD2 ASN 18 -7.162 4.457 -0.939 122 2HD2 ASN 18 2HD2 ASN 18 -8.305 4.540 0.361 123 H VAL 19 H VAL 19 -2.242 2.122 0.285 124 HA VAL 19 HA VAL 19 -2.565 1.147 3.041 125 HB VAL 19 HB VAL 19 -0.653 -0.386 2.661 126 1HG1 VAL 19 1HG1 VAL 19 -2.977 -0.835 0.790 127 2HG1 VAL 19 2HG1 VAL 19 -2.940 -1.228 2.509 128 3HG1 VAL 19 3HG1 VAL 19 -1.875 -2.075 1.387 129 1HG2 VAL 19 1HG2 VAL 19 0.403 0.765 0.796 130 2HG2 VAL 19 2HG2 VAL 19 -0.980 0.395 -0.235 131 3HG2 VAL 19 3HG2 VAL 19 0.045 -0.908 0.367 132 H SER 20 H SER 20 -0.337 1.179 4.170 133 HA SER 20 HA SER 20 1.436 3.232 3.201 134 1HB SER 20 2HB SER 20 -0.225 3.558 5.672 135 2HB SER 20 1HB SER 20 1.296 4.426 5.471 136 HG SER 20 HG SER 20 -0.556 4.494 3.381 137 H LEU 21 H LEU 21 3.434 3.328 4.263 138 HA LEU 21 HA LEU 21 4.496 0.786 4.842 139 1HB LEU 21 2HB LEU 21 5.517 3.585 4.827 140 2HB LEU 21 1HB LEU 21 6.488 2.362 5.617 141 HG LEU 21 HG LEU 21 7.149 2.835 3.262 142 1HD1 LEU 21 1HD1 LEU 21 6.194 0.045 3.861 143 2HD1 LEU 21 2HD1 LEU 21 7.741 0.755 4.324 144 3HD1 LEU 21 3HD1 LEU 21 7.373 0.481 2.621 145 1HD2 LEU 21 1HD2 LEU 21 4.942 3.208 2.302 146 2HD2 LEU 21 2HD2 LEU 21 4.515 1.523 2.605 147 3HD2 LEU 21 3HD2 LEU 21 5.790 1.915 1.450 148 H ILE 22 H ILE 22 4.679 -0.309 6.678 149 HA ILE 22 HA ILE 22 3.912 0.961 9.197 150 HB ILE 22 HB ILE 22 3.949 -1.283 10.148 151 1HG1 ILE 22 2HG1 ILE 22 4.900 -2.175 7.413 152 2HG1 ILE 22 1HG1 ILE 22 5.880 -2.149 8.875 153 1HG2 ILE 22 1HG2 ILE 22 2.557 -1.205 7.476 154 2HG2 ILE 22 2HG2 ILE 22 1.940 -0.536 8.987 155 3HG2 ILE 22 3HG2 ILE 22 2.160 -2.277 8.818 156 1HD1 ILE 22 1HD1 ILE 22 4.426 -3.825 9.879 157 2HD1 ILE 22 2HD1 ILE 22 5.113 -4.389 8.356 158 3HD1 ILE 22 3HD1 ILE 22 3.435 -3.845 8.420 159 H LYS 23 H LYS 23 6.689 0.342 7.477 160 HA LYS 23 HA LYS 23 8.411 1.020 9.685 161 1HB LYS 23 2HB LYS 23 9.907 -0.933 9.329 162 2HB LYS 23 1HB LYS 23 8.325 -1.415 9.932 163 1HG LYS 23 2HG LYS 23 7.641 -2.137 7.765 164 2HG LYS 23 1HG LYS 23 9.088 -1.457 7.033 165 1HD LYS 23 2HD LYS 23 9.620 -3.691 7.128 166 2HD LYS 23 1HD LYS 23 10.340 -3.089 8.621 167 1HE LYS 23 2HE LYS 23 7.599 -4.327 8.460 168 2HE LYS 23 1HE LYS 23 9.063 -5.235 8.823 169 1HZ LYS 23 1HZ LYS 23 7.909 -4.626 10.841 170 2HZ LYS 23 2HZ LYS 23 7.956 -2.988 10.426 171 3HZ LYS 23 3HZ LYS 23 9.396 -3.810 10.771 172 H ASP 24 H ASP 24 10.825 0.846 8.623 173 HA ASP 24 HA ASP 24 10.578 2.420 6.173 174 1HB ASP 24 2HB ASP 24 13.155 1.992 7.640 175 2HB ASP 24 1HB ASP 24 12.650 3.370 6.675 176 H LEU 25 H LEU 25 10.650 1.252 4.360 177 HA LEU 25 HA LEU 25 12.521 -1.018 4.215 178 1HB LEU 25 2HB LEU 25 10.132 -0.296 2.520 179 2HB LEU 25 1HB LEU 25 11.288 -1.520 2.046 180 HG LEU 25 HG LEU 25 9.352 -2.584 2.972 181 1HD1 LEU 25 1HD1 LEU 25 11.677 -2.675 4.888 182 2HD1 LEU 25 2HD1 LEU 25 11.399 -3.722 3.496 183 3HD1 LEU 25 3HD1 LEU 25 10.328 -3.813 4.900 184 1HD2 LEU 25 1HD2 LEU 25 8.739 -2.221 5.353 185 2HD2 LEU 25 2HD2 LEU 25 8.381 -0.890 4.262 186 3HD2 LEU 25 3HD2 LEU 25 9.778 -0.794 5.333 187 H LYS 26 H LYS 26 14.032 -1.136 2.519 188 HA LYS 26 HA LYS 26 14.355 1.357 0.997 189 1HB LYS 26 2HB LYS 26 16.559 -0.222 2.321 190 2HB LYS 26 1HB LYS 26 16.796 1.153 1.250 191 1HG LYS 26 2HG LYS 26 15.483 2.541 2.831 192 2HG LYS 26 1HG LYS 26 15.446 1.165 3.934 193 1HD LYS 26 2HD LYS 26 17.957 2.396 2.856 194 2HD LYS 26 1HD LYS 26 17.234 2.833 4.405 195 1HE LYS 26 2HE LYS 26 17.458 0.507 5.154 196 2HE LYS 26 1HE LYS 26 18.189 0.084 3.606 197 1HZ LYS 26 1HZ LYS 26 20.004 1.609 4.089 198 2HZ LYS 26 2HZ LYS 26 19.869 0.425 5.294 199 3HZ LYS 26 3HZ LYS 26 19.304 1.998 5.586 200 H LEU 27 H LEU 27 14.531 1.101 -1.086 201 HA LEU 27 HA LEU 27 14.654 -1.658 -2.062 202 1HB LEU 27 2HB LEU 27 13.133 0.749 -3.041 203 2HB LEU 27 1HB LEU 27 13.282 -0.719 -3.973 204 HG LEU 27 HG LEU 27 11.150 -0.715 -2.868 205 1HD1 LEU 27 1HD1 LEU 27 12.253 -2.868 -3.060 206 2HD1 LEU 27 2HD1 LEU 27 11.300 -2.791 -1.577 207 3HD1 LEU 27 3HD1 LEU 27 13.055 -2.615 -1.510 208 1HD2 LEU 27 1HD2 LEU 27 11.025 -0.717 -0.377 209 2HD2 LEU 27 2HD2 LEU 27 11.555 0.815 -1.069 210 3HD2 LEU 27 3HD2 LEU 27 12.735 -0.275 -0.339 211 H LYS 28 H LYS 28 15.091 -1.610 -4.530 212 HA LYS 28 HA LYS 28 17.830 -0.692 -4.676 213 1HB LYS 28 2HB LYS 28 16.265 -2.377 -6.635 214 2HB LYS 28 1HB LYS 28 18.011 -2.162 -6.604 215 1HG LYS 28 2HG LYS 28 18.114 -3.271 -4.436 216 2HG LYS 28 1HG LYS 28 16.363 -3.479 -4.456 217 1HD LYS 28 2HD LYS 28 16.616 -4.794 -6.560 218 2HD LYS 28 1HD LYS 28 18.367 -4.691 -6.354 219 1HE LYS 28 2HE LYS 28 18.159 -5.803 -4.172 220 2HE LYS 28 1HE LYS 28 16.418 -5.934 -4.417 221 1HZ LYS 28 1HZ LYS 28 17.400 -7.995 -5.007 222 2HZ LYS 28 2HZ LYS 28 18.559 -7.247 -5.995 223 3HZ LYS 28 3HZ LYS 28 16.928 -7.247 -6.456 224 H GLY 29 H GLY 29 18.379 -0.322 -7.246 225 1HA GLY 29 2HA GLY 29 17.955 0.975 -9.159 226 2HA GLY 29 1HA GLY 29 16.523 1.634 -8.374 227 H SER 30 H SER 30 16.654 3.601 -7.555 228 HA SER 30 HA SER 30 19.262 4.910 -7.418 229 1HB SER 30 2HB SER 30 17.366 5.992 -8.630 230 2HB SER 30 1HB SER 30 16.476 6.069 -7.111 231 HG SER 30 HG SER 30 18.416 7.276 -6.338 232 H SER 31 H SER 31 18.416 2.900 -5.461 233 HA SER 31 HA SER 31 18.183 2.485 -3.252 234 1HB SER 31 2HB SER 31 19.493 5.206 -2.978 235 2HB SER 31 1HB SER 31 19.325 4.021 -1.684 236 HG SER 31 HG SER 31 20.448 2.937 -3.921 237 H THR 32 H THR 32 15.877 2.622 -3.656 238 HA THR 32 HA THR 32 14.547 5.117 -3.053 239 HB THR 32 HB THR 32 13.283 2.423 -3.565 240 HG1 THR 32 1HG THR 32 14.231 2.729 -5.466 241 1HG2 THR 32 1HG2 THR 32 11.788 4.104 -2.596 242 2HG2 THR 32 2HG2 THR 32 11.354 3.758 -4.269 243 3HG2 THR 32 3HG2 THR 32 12.229 5.236 -3.875 244 H VAL 33 H VAL 33 14.605 5.639 -0.956 245 HA VAL 33 HA VAL 33 14.162 3.565 1.045 246 HB VAL 33 HB VAL 33 14.831 6.487 1.451 247 1HG1 VAL 33 1HG1 VAL 33 15.420 5.783 3.738 248 2HG1 VAL 33 2HG1 VAL 33 14.817 4.164 3.377 249 3HG1 VAL 33 3HG1 VAL 33 13.710 5.537 3.380 250 1HG2 VAL 33 1HG2 VAL 33 17.096 5.706 1.952 251 2HG2 VAL 33 2HG2 VAL 33 16.629 5.307 0.299 252 3HG2 VAL 33 3HG2 VAL 33 16.619 4.058 1.546 253 H LEU 34 H LEU 34 12.123 3.082 1.367 254 HA LEU 34 HA LEU 34 10.107 5.205 1.420 255 1HB LEU 34 2HB LEU 34 9.785 2.199 1.425 256 2HB LEU 34 1HB LEU 34 8.490 3.372 1.320 257 HG LEU 34 HG LEU 34 10.653 3.217 -0.735 258 1HD1 LEU 34 1HD1 LEU 34 9.580 1.048 -0.647 259 2HD1 LEU 34 2HD1 LEU 34 9.116 1.913 -2.113 260 3HD1 LEU 34 3HD1 LEU 34 7.994 1.815 -0.756 261 1HD2 LEU 34 1HD2 LEU 34 7.875 4.370 -0.788 262 2HD2 LEU 34 2HD2 LEU 34 9.031 4.389 -2.121 263 3HD2 LEU 34 3HD2 LEU 34 9.372 5.290 -0.643 264 H LYS 35 H LYS 35 10.458 6.110 3.379 265 HA LYS 35 HA LYS 35 11.037 4.630 5.737 266 1HB LYS 35 2HB LYS 35 10.261 7.501 5.245 267 2HB LYS 35 1HB LYS 35 10.586 6.871 6.853 268 1HG LYS 35 2HG LYS 35 12.567 6.643 4.614 269 2HG LYS 35 1HG LYS 35 12.491 8.055 5.673 270 1HD LYS 35 2HD LYS 35 12.867 5.208 6.596 271 2HD LYS 35 1HD LYS 35 14.171 6.380 6.386 272 1HE LYS 35 2HE LYS 35 13.116 7.836 8.059 273 2HE LYS 35 1HE LYS 35 11.827 6.645 8.270 274 1HZ LYS 35 1HZ LYS 35 13.338 5.101 9.169 275 2HZ LYS 35 2HZ LYS 35 13.660 6.570 9.954 276 3HZ LYS 35 3HZ LYS 35 14.688 6.022 8.723 277 H ARG 36 H ARG 36 9.748 4.799 7.720 278 HA ARG 36 HA ARG 36 7.244 3.625 7.444 279 1HB ARG 36 2HB ARG 36 8.757 3.663 9.482 280 2HB ARG 36 1HB ARG 36 8.122 5.267 9.813 281 1HG ARG 36 2HG ARG 36 5.922 4.430 10.138 282 2HG ARG 36 1HG ARG 36 6.380 2.832 9.544 283 1HD ARG 36 2HD ARG 36 7.946 2.625 11.429 284 2HD ARG 36 1HD ARG 36 7.368 4.171 12.055 285 HE ARG 36 HE ARG 36 5.754 1.709 11.831 286 1HH1 ARG 36 1HH1 ARG 36 6.392 4.831 13.290 287 2HH1 ARG 36 2HH1 ARG 36 5.196 4.637 14.538 288 1HH2 ARG 36 1HH2 ARG 36 4.181 1.442 13.468 289 2HH2 ARG 36 2HH2 ARG 36 3.918 2.717 14.623 290 H GLY 37 H GLY 37 5.211 4.362 7.253 291 1HA GLY 37 2HA GLY 37 3.483 5.963 7.486 292 2HA GLY 37 1HA GLY 37 4.699 7.224 7.611 293 H THR 38 H THR 38 5.907 5.665 5.117 294 HA THR 38 HA THR 38 5.036 7.412 3.123 295 HB THR 38 HB THR 38 6.164 4.618 2.812 296 HG1 THR 38 1HG THR 38 7.716 5.854 3.748 297 1HG2 THR 38 1HG2 THR 38 5.037 5.328 0.761 298 2HG2 THR 38 2HG2 THR 38 6.787 5.315 0.543 299 3HG2 THR 38 3HG2 THR 38 5.940 6.844 0.778 300 H MET 39 H MET 39 3.184 7.533 1.975 301 HA MET 39 HA MET 39 1.248 5.408 2.410 302 1HB MET 39 2HB MET 39 0.569 7.730 2.895 303 2HB MET 39 1HB MET 39 0.832 8.146 1.205 304 1HG MET 39 2HG MET 39 -0.980 6.881 0.479 305 2HG MET 39 1HG MET 39 -1.043 5.950 1.979 306 1HE MET 39 1HE MET 39 -4.266 7.449 2.971 307 2HE MET 39 2HE MET 39 -3.094 6.143 3.193 308 3HE MET 39 3HE MET 39 -3.755 6.479 1.589 309 H ILE 40 H ILE 40 0.900 3.935 0.981 310 HA ILE 40 HA ILE 40 1.395 4.545 -1.864 311 HB ILE 40 HB ILE 40 1.218 1.807 -0.580 312 1HG1 ILE 40 2HG1 ILE 40 3.635 3.381 -1.504 313 2HG1 ILE 40 1HG1 ILE 40 3.235 2.965 0.160 314 1HG2 ILE 40 1HG2 ILE 40 0.519 1.835 -2.909 315 2HG2 ILE 40 2HG2 ILE 40 2.063 0.999 -2.730 316 3HG2 ILE 40 3HG2 ILE 40 2.018 2.645 -3.363 317 1HD1 ILE 40 1HD1 ILE 40 4.983 1.526 -0.701 318 2HD1 ILE 40 2HD1 ILE 40 3.940 1.023 -2.032 319 3HD1 ILE 40 3HD1 ILE 40 3.522 0.595 -0.371 320 H ARG 41 H ARG 41 -0.552 5.396 -2.433 321 HA ARG 41 HA ARG 41 -2.932 3.772 -1.849 322 1HB ARG 41 2HB ARG 41 -4.157 5.954 -2.510 323 2HB ARG 41 1HB ARG 41 -3.411 5.837 -0.926 324 1HG ARG 41 2HG ARG 41 -1.655 7.258 -1.516 325 2HG ARG 41 1HG ARG 41 -1.980 7.089 -3.238 326 1HD ARG 41 2HD ARG 41 -4.083 8.287 -2.975 327 2HD ARG 41 1HD ARG 41 -3.808 8.406 -1.238 328 HE ARG 41 HE ARG 41 -1.643 9.634 -2.151 329 1HH1 ARG 41 1HH1 ARG 41 -4.932 9.882 -3.329 330 2HH1 ARG 41 2HH1 ARG 41 -4.811 11.586 -3.677 331 1HH2 ARG 41 1HH2 ARG 41 -1.472 11.858 -2.625 332 2HH2 ARG 41 2HH2 ARG 41 -2.829 12.704 -3.308 333 H GLY 42 H GLY 42 -4.604 3.718 -3.524 334 1HA GLY 42 2HA GLY 42 -5.282 3.450 -5.726 335 2HA GLY 42 1HA GLY 42 -3.777 4.196 -6.249 336 H ILE 43 H ILE 43 -4.233 1.417 -4.119 337 HA ILE 43 HA ILE 43 -2.352 -0.056 -5.778 338 HB ILE 43 HB ILE 43 -2.114 -1.603 -3.959 339 1HG1 ILE 43 2HG1 ILE 43 -3.456 -0.803 -1.764 340 2HG1 ILE 43 1HG1 ILE 43 -4.637 -0.367 -2.993 341 1HG2 ILE 43 1HG2 ILE 43 -0.851 0.446 -3.777 342 2HG2 ILE 43 2HG2 ILE 43 -1.336 -0.103 -2.174 343 3HG2 ILE 43 3HG2 ILE 43 -2.192 1.232 -2.946 344 1HD1 ILE 43 1HD1 ILE 43 -3.463 -3.102 -2.546 345 2HD1 ILE 43 2HD1 ILE 43 -4.619 -2.676 -3.810 346 3HD1 ILE 43 3HD1 ILE 43 -5.088 -2.572 -2.112 347 H ARG 44 H ARG 44 -2.761 -2.326 -6.217 348 HA ARG 44 HA ARG 44 -5.585 -3.077 -6.396 349 1HB ARG 44 2HB ARG 44 -5.192 -3.833 -8.751 350 2HB ARG 44 1HB ARG 44 -5.189 -2.088 -8.535 351 1HG ARG 44 2HG ARG 44 -2.832 -1.981 -8.694 352 2HG ARG 44 1HG ARG 44 -2.679 -3.737 -8.595 353 1HD ARG 44 2HD ARG 44 -2.389 -2.934 -10.885 354 2HD ARG 44 1HD ARG 44 -3.803 -3.973 -10.728 355 HE ARG 44 HE ARG 44 -4.991 -1.658 -10.500 356 1HH1 ARG 44 1HH1 ARG 44 -2.327 -2.482 -12.614 357 2HH1 ARG 44 2HH1 ARG 44 -2.790 -1.361 -13.858 358 1HH2 ARG 44 1HH2 ARG 44 -5.615 -0.172 -12.126 359 2HH2 ARG 44 2HH2 ARG 44 -4.685 -0.072 -13.595 360 H LEU 45 H LEU 45 -5.885 -5.361 -6.802 361 HA LEU 45 HA LEU 45 -3.868 -6.952 -5.493 362 1HB LEU 45 2HB LEU 45 -6.420 -7.891 -6.802 363 2HB LEU 45 1HB LEU 45 -5.454 -8.764 -5.628 364 HG LEU 45 HG LEU 45 -7.142 -6.321 -5.146 365 1HD1 LEU 45 1HD1 LEU 45 -8.334 -7.785 -3.599 366 2HD1 LEU 45 2HD1 LEU 45 -7.278 -9.123 -4.056 367 3HD1 LEU 45 3HD1 LEU 45 -8.367 -8.412 -5.247 368 1HD2 LEU 45 1HD2 LEU 45 -5.064 -6.103 -3.900 369 2HD2 LEU 45 2HD2 LEU 45 -5.288 -7.718 -3.227 370 3HD2 LEU 45 3HD2 LEU 45 -6.421 -6.429 -2.822 371 H THR 46 H THR 46 -2.921 -8.855 -6.436 372 HA THR 46 HA THR 46 -2.809 -8.800 -9.375 373 HB THR 46 HB THR 46 -0.397 -9.415 -9.230 374 HG1 THR 46 1HG THR 46 -0.709 -8.731 -6.467 375 1HG2 THR 46 1HG2 THR 46 -1.100 -6.798 -7.895 376 2HG2 THR 46 2HG2 THR 46 -1.049 -7.089 -9.635 377 3HG2 THR 46 3HG2 THR 46 0.433 -7.180 -8.682 378 H ASP 47 H ASP 47 -1.211 -10.985 -9.806 379 HA ASP 47 HA ASP 47 -2.864 -13.210 -9.296 380 1HB ASP 47 2HB ASP 47 -0.015 -12.943 -10.237 381 2HB ASP 47 1HB ASP 47 -0.738 -14.523 -9.959 382 H SER 48 H SER 48 -0.428 -11.666 -7.463 383 HA SER 48 HA SER 48 0.061 -13.877 -5.682 384 1HB SER 48 2HB SER 48 0.858 -10.971 -5.583 385 2HB SER 48 1HB SER 48 1.415 -12.193 -4.458 386 HG SER 48 HG SER 48 2.985 -12.289 -5.873 387 H GLU 49 H GLU 49 -0.744 -14.122 -3.667 388 HA GLU 49 HA GLU 49 -3.023 -12.489 -2.863 389 1HB GLU 49 2HB GLU 49 -1.963 -14.608 -1.072 390 2HB GLU 49 1HB GLU 49 -3.626 -14.220 -1.489 391 1HG GLU 49 2HG GLU 49 -3.418 -16.233 -2.516 392 2HG GLU 49 1HG GLU 49 -2.914 -15.168 -3.825 393 H ASP 50 H ASP 50 0.227 -12.429 -2.593 394 HA ASP 50 HA ASP 50 0.232 -11.226 0.088 395 1HB ASP 50 2HB ASP 50 2.354 -12.787 -1.379 396 2HB ASP 50 1HB ASP 50 2.651 -11.928 0.132 397 H GLU 51 H GLU 51 0.437 -10.490 -3.123 398 HA GLU 51 HA GLU 51 2.113 -8.139 -2.581 399 1HB GLU 51 2HB GLU 51 2.121 -9.903 -4.999 400 2HB GLU 51 1HB GLU 51 2.602 -8.232 -5.118 401 1HG GLU 51 2HG GLU 51 4.616 -9.261 -4.850 402 2HG GLU 51 1HG GLU 51 4.228 -8.839 -3.186 403 H ILE 52 H ILE 52 1.472 -6.252 -3.382 404 HA ILE 52 HA ILE 52 -0.864 -6.155 -5.144 405 HB ILE 52 HB ILE 52 -1.632 -4.104 -3.901 406 1HG1 ILE 52 2HG1 ILE 52 -0.869 -4.350 -1.352 407 2HG1 ILE 52 1HG1 ILE 52 0.589 -4.965 -2.112 408 1HG2 ILE 52 1HG2 ILE 52 -2.853 -6.140 -3.669 409 2HG2 ILE 52 2HG2 ILE 52 -2.736 -5.383 -2.081 410 3HG2 ILE 52 3HG2 ILE 52 -1.704 -6.756 -2.484 411 1HD1 ILE 52 1HD1 ILE 52 -0.657 -2.271 -2.611 412 2HD1 ILE 52 2HD1 ILE 52 0.810 -2.889 -3.372 413 3HD1 ILE 52 3HD1 ILE 52 0.773 -2.594 -1.633 414 H GLU 53 H GLU 53 -0.962 -4.152 -6.387 415 HA GLU 53 HA GLU 53 1.704 -2.928 -6.652 416 1HB GLU 53 2HB GLU 53 1.056 -4.310 -8.576 417 2HB GLU 53 1HB GLU 53 -0.403 -3.364 -8.757 418 1HG GLU 53 2HG GLU 53 1.021 -1.355 -9.146 419 2HG GLU 53 1HG GLU 53 2.422 -2.426 -9.152 420 H GLY 54 H GLY 54 1.832 -0.764 -6.450 421 1HA GLY 54 2HA GLY 54 -0.586 0.852 -6.725 422 2HA GLY 54 1HA GLY 54 0.160 0.813 -5.138 423 H ARG 55 H ARG 55 0.396 3.134 -5.421 424 HA ARG 55 HA ARG 55 2.855 3.748 -6.891 425 1HB ARG 55 2HB ARG 55 1.954 5.657 -7.940 426 2HB ARG 55 1HB ARG 55 0.792 4.368 -8.212 427 1HG ARG 55 2HG ARG 55 -0.539 5.268 -6.304 428 2HG ARG 55 1HG ARG 55 0.568 6.641 -6.261 429 1HD ARG 55 2HD ARG 55 0.027 6.933 -8.736 430 2HD ARG 55 1HD ARG 55 -1.317 5.830 -8.453 431 HE ARG 55 HE ARG 55 -1.216 8.069 -6.629 432 1HH1 ARG 55 1HH1 ARG 55 -2.460 6.830 -9.658 433 2HH1 ARG 55 2HH1 ARG 55 -3.653 8.081 -9.826 434 1HH2 ARG 55 1HH2 ARG 55 -2.800 9.699 -6.830 435 2HH2 ARG 55 2HH2 ARG 55 -3.855 9.716 -8.217 436 H THR 56 H THR 56 4.152 5.246 -5.945 437 HA THR 56 HA THR 56 3.315 6.277 -3.312 438 HB THR 56 HB THR 56 5.592 6.154 -2.578 439 HG1 THR 56 1HG THR 56 6.253 5.430 -5.260 440 1HG2 THR 56 1HG2 THR 56 4.468 3.970 -2.573 441 2HG2 THR 56 2HG2 THR 56 6.199 3.802 -2.874 442 3HG2 THR 56 3HG2 THR 56 5.057 3.669 -4.211 443 H ASP 57 H ASP 57 5.128 8.200 -2.842 444 HA ASP 57 HA ASP 57 4.550 10.266 -4.742 445 1HB ASP 57 2HB ASP 57 6.410 10.199 -2.355 446 2HB ASP 57 1HB ASP 57 6.135 11.632 -3.338 447 H LYS 58 H LYS 58 7.076 7.983 -4.241 448 HA LYS 58 HA LYS 58 8.859 9.340 -6.128 449 1HB LYS 58 2HB LYS 58 9.292 6.891 -4.401 450 2HB LYS 58 1HB LYS 58 10.494 7.580 -5.481 451 1HG LYS 58 2HG LYS 58 10.558 9.612 -4.168 452 2HG LYS 58 1HG LYS 58 9.278 8.999 -3.119 453 1HD LYS 58 2HD LYS 58 10.715 7.190 -2.372 454 2HD LYS 58 1HD LYS 58 11.982 7.706 -3.484 455 1HE LYS 58 2HE LYS 58 12.201 9.811 -2.287 456 2HE LYS 58 1HE LYS 58 10.891 9.352 -1.203 457 1HZ LYS 58 1HZ LYS 58 13.068 8.999 -0.199 458 2HZ LYS 58 2HZ LYS 58 13.494 7.936 -1.449 459 3HZ LYS 58 3HZ LYS 58 12.242 7.530 -0.384 460 H ILE 59 H ILE 59 8.141 5.922 -5.580 461 HA ILE 59 HA ILE 59 8.312 5.395 -8.439 462 HB ILE 59 HB ILE 59 7.797 3.381 -6.252 463 1HG1 ILE 59 2HG1 ILE 59 9.808 4.567 -5.603 464 2HG1 ILE 59 1HG1 ILE 59 10.253 2.982 -6.225 465 1HG2 ILE 59 1HG2 ILE 59 8.869 1.831 -7.840 466 2HG2 ILE 59 2HG2 ILE 59 8.996 3.149 -9.008 467 3HG2 ILE 59 3HG2 ILE 59 7.409 2.576 -8.491 468 1HD1 ILE 59 1HD1 ILE 59 10.420 5.572 -7.736 469 2HD1 ILE 59 2HD1 ILE 59 10.895 3.985 -8.341 470 3HD1 ILE 59 3HD1 ILE 59 11.771 4.715 -6.995 471 H LYS 60 H LYS 60 6.540 5.212 -9.702 472 HA LYS 60 HA LYS 60 3.973 4.660 -8.354 473 1HB LYS 60 2HB LYS 60 2.862 5.831 -10.206 474 2HB LYS 60 1HB LYS 60 4.001 6.880 -9.374 475 1HG LYS 60 2HG LYS 60 5.603 6.639 -11.139 476 2HG LYS 60 1HG LYS 60 4.600 5.423 -11.930 477 1HD LYS 60 2HD LYS 60 4.332 7.520 -13.080 478 2HD LYS 60 1HD LYS 60 2.836 7.143 -12.226 479 1HE LYS 60 2HE LYS 60 3.428 8.685 -10.450 480 2HE LYS 60 1HE LYS 60 4.982 9.010 -11.220 481 1HZ LYS 60 1HZ LYS 60 3.421 10.764 -11.718 482 2HZ LYS 60 2HZ LYS 60 2.303 9.654 -12.341 483 3HZ LYS 60 3HZ LYS 60 3.779 9.907 -13.136 484 H GLY 61 H GLY 61 2.892 2.866 -8.912 485 1HA GLY 61 2HA GLY 61 2.172 1.100 -10.247 486 2HA GLY 61 1HA GLY 61 3.270 1.641 -11.511 487 H LEU 62 H LEU 62 3.841 0.720 -8.120 488 HA LEU 62 HA LEU 62 5.750 -1.257 -9.148 489 1HB LEU 62 2HB LEU 62 7.228 -0.845 -7.402 490 2HB LEU 62 1HB LEU 62 6.700 0.745 -7.895 491 HG LEU 62 HG LEU 62 5.619 -0.729 -5.497 492 1HD1 LEU 62 1HD1 LEU 62 7.019 0.786 -4.174 493 2HD1 LEU 62 2HD1 LEU 62 7.715 1.435 -5.659 494 3HD1 LEU 62 3HD1 LEU 62 7.991 -0.250 -5.220 495 1HD2 LEU 62 1HD2 LEU 62 4.076 0.947 -6.352 496 2HD2 LEU 62 2HD2 LEU 62 5.365 2.151 -6.371 497 3HD2 LEU 62 3HD2 LEU 62 4.793 1.495 -4.836 498 H VAL 63 H VAL 63 5.632 -3.276 -8.458 499 HA VAL 63 HA VAL 63 3.339 -4.045 -6.845 500 HB VAL 63 HB VAL 63 5.367 -5.819 -8.221 501 1HG1 VAL 63 1HG1 VAL 63 2.636 -6.431 -7.094 502 2HG1 VAL 63 2HG1 VAL 63 4.183 -6.945 -6.420 503 3HG1 VAL 63 3HG1 VAL 63 3.654 -7.562 -7.986 504 1HG2 VAL 63 1HG2 VAL 63 3.687 -6.107 -9.974 505 2HG2 VAL 63 2HG2 VAL 63 4.206 -4.427 -9.844 506 3HG2 VAL 63 3HG2 VAL 63 2.652 -4.924 -9.175 507 H LEU 64 H LEU 64 3.510 -4.335 -4.745 508 HA LEU 64 HA LEU 64 6.115 -5.181 -3.655 509 1HB LEU 64 2HB LEU 64 4.401 -2.889 -2.780 510 2HB LEU 64 1HB LEU 64 5.406 -3.730 -1.616 511 HG LEU 64 HG LEU 64 6.479 -2.484 -4.141 512 1HD1 LEU 64 1HD1 LEU 64 6.419 -1.387 -1.334 513 2HD1 LEU 64 2HD1 LEU 64 5.552 -0.745 -2.732 514 3HD1 LEU 64 3HD1 LEU 64 7.315 -0.695 -2.687 515 1HD2 LEU 64 1HD2 LEU 64 7.759 -3.655 -1.672 516 2HD2 LEU 64 2HD2 LEU 64 8.630 -2.696 -2.874 517 3HD2 LEU 64 3HD2 LEU 64 7.895 -4.232 -3.336 518 H ARG 65 H ARG 65 6.102 -6.519 -1.924 519 HA ARG 65 HA ARG 65 3.808 -8.055 -1.348 520 1HB ARG 65 2HB ARG 65 5.219 -8.690 0.739 521 2HB ARG 65 1HB ARG 65 5.778 -9.173 -0.852 522 1HG ARG 65 2HG ARG 65 7.410 -7.471 -0.891 523 2HG ARG 65 1HG ARG 65 6.730 -6.673 0.521 524 1HD ARG 65 2HD ARG 65 8.838 -8.069 0.872 525 2HD ARG 65 1HD ARG 65 7.490 -8.371 1.968 526 HE ARG 65 HE ARG 65 7.027 -10.392 0.770 527 1HH1 ARG 65 1HH1 ARG 65 10.065 -8.847 -0.066 528 2HH1 ARG 65 2HH1 ARG 65 10.752 -10.292 -0.751 529 1HH2 ARG 65 1HH2 ARG 65 7.919 -12.277 -0.122 530 2HH2 ARG 65 2HH2 ARG 65 9.531 -12.244 -0.772 531 H THR 66 H THR 66 2.228 -7.784 0.058 532 HA THR 66 HA THR 66 2.053 -5.217 1.390 533 HB THR 66 HB THR 66 0.153 -6.005 0.081 534 HG1 THR 66 1HG THR 66 -0.634 -6.152 2.798 535 1HG2 THR 66 1HG2 THR 66 0.019 -8.291 2.047 536 2HG2 THR 66 2HG2 THR 66 0.438 -8.405 0.336 537 3HG2 THR 66 3HG2 THR 66 -1.190 -7.927 0.815 538 H GLU 67 H GLU 67 3.967 -7.135 2.428 539 HA GLU 67 HA GLU 67 2.772 -8.211 4.862 540 1HB GLU 67 2HB GLU 67 5.669 -8.272 4.009 541 2HB GLU 67 1HB GLU 67 4.893 -9.287 5.220 542 1HG GLU 67 2HG GLU 67 3.405 -10.065 3.287 543 2HG GLU 67 1HG GLU 67 4.641 -9.376 2.248 544 H PHE 68 H PHE 68 4.484 -5.534 3.729 545 HA PHE 68 HA PHE 68 4.951 -4.606 6.479 546 1HB PHE 68 2HB PHE 68 6.789 -3.217 5.583 547 2HB PHE 68 1HB PHE 68 7.048 -4.942 5.327 548 HD1 PHE 68 1HD PHE 68 6.011 -1.819 3.629 549 HD2 PHE 68 2HD PHE 68 7.419 -5.808 3.203 550 HE1 PHE 68 1HE PHE 68 6.430 -1.412 1.238 551 HE2 PHE 68 2HE PHE 68 7.837 -5.409 0.813 552 HZ PHE 68 HZ PHE 68 7.344 -3.208 -0.171 553 H LEU 69 H LEU 69 2.620 -4.385 4.557 554 HA LEU 69 HA LEU 69 2.454 -1.445 4.502 555 1HB LEU 69 2HB LEU 69 1.021 -3.414 2.721 556 2HB LEU 69 1HB LEU 69 0.862 -1.673 2.654 557 HG LEU 69 HG LEU 69 3.433 -3.156 2.107 558 1HD1 LEU 69 1HD1 LEU 69 1.427 -1.998 0.181 559 2HD1 LEU 69 2HD1 LEU 69 1.766 -3.711 0.429 560 3HD1 LEU 69 3HD1 LEU 69 3.006 -2.654 -0.248 561 1HD2 LEU 69 1HD2 LEU 69 4.122 -1.000 1.130 562 2HD2 LEU 69 2HD2 LEU 69 3.799 -0.889 2.860 563 3HD2 LEU 69 3HD2 LEU 69 2.616 -0.281 1.703 564 H LYS 70 H LYS 70 0.556 -0.500 5.136 565 HA LYS 70 HA LYS 70 -1.320 -2.224 6.613 566 1HB LYS 70 2HB LYS 70 0.444 -0.445 7.734 567 2HB LYS 70 1HB LYS 70 -1.006 0.538 7.565 568 1HG LYS 70 2HG LYS 70 -0.900 -2.149 8.912 569 2HG LYS 70 1HG LYS 70 -0.799 -0.604 9.758 570 1HD LYS 70 2HD LYS 70 -3.099 -1.172 7.931 571 2HD LYS 70 1HD LYS 70 -3.091 -1.827 9.564 572 1HE LYS 70 2HE LYS 70 -2.869 0.410 10.485 573 2HE LYS 70 1HE LYS 70 -2.788 1.088 8.860 574 1HZ LYS 70 1HZ LYS 70 -5.117 -0.275 10.107 575 2HZ LYS 70 2HZ LYS 70 -5.048 0.209 8.482 576 3HZ LYS 70 3HZ LYS 70 -4.984 1.371 9.711 577 H LYS 71 H LYS 71 -3.408 -1.957 6.071 578 HA LYS 71 HA LYS 71 -4.094 -0.239 3.911 579 1HB LYS 71 2HB LYS 71 -5.238 -2.412 4.461 580 2HB LYS 71 1HB LYS 71 -6.000 -1.604 5.823 581 1HG LYS 71 2HG LYS 71 -6.311 -0.357 3.152 582 2HG LYS 71 1HG LYS 71 -7.186 -1.853 3.464 583 1HD LYS 71 2HD LYS 71 -8.311 -0.880 5.341 584 2HD LYS 71 1HD LYS 71 -7.303 0.565 5.259 585 1HE LYS 71 2HE LYS 71 -9.585 0.878 4.324 586 2HE LYS 71 1HE LYS 71 -8.293 1.210 3.173 587 1HZ LYS 71 1HZ LYS 71 -8.665 -0.870 2.111 588 2HZ LYS 71 2HZ LYS 71 -10.166 -0.098 2.256 589 3HZ LYS 71 3HZ LYS 71 -9.760 -1.367 3.309 590 H ALA 72 H ALA 72 -4.552 1.824 3.935 591 HA ALA 72 HA ALA 72 -4.337 3.281 6.376 592 1HB ALA 72 1HB ALA 72 -4.481 5.253 4.995 593 2HB ALA 72 2HB ALA 72 -5.077 4.298 3.638 594 3HB ALA 72 3HB ALA 72 -3.428 4.069 4.218 595 H GLY 73 H GLY 73 -6.919 3.382 3.914 596 1HA GLY 73 2HA GLY 73 -9.212 2.859 4.652 597 2HA GLY 73 1HA GLY 73 -8.831 3.711 6.144 598 H SER 74 H SER 74 -9.079 4.171 2.652 599 HA SER 74 HA SER 74 -10.495 6.656 3.100 600 1HB SER 74 2HB SER 74 -7.983 6.548 1.406 601 2HB SER 74 1HB SER 74 -9.056 7.938 1.569 602 HG SER 74 HG SER 74 -8.296 7.001 3.990 Start of MODEL 18 1 1H MET 1 1HT MET 1 -9.114 -17.483 -9.085 2 2H MET 1 2HT MET 1 -10.736 -17.819 -8.720 3 3H MET 1 3HT MET 1 -9.759 -19.015 -9.420 4 HA MET 1 HA MET 1 -10.102 -19.403 -7.061 5 1HB MET 1 2HB MET 1 -7.298 -18.617 -7.876 6 2HB MET 1 1HB MET 1 -7.678 -19.499 -6.404 7 1HG MET 1 2HG MET 1 -8.582 -21.333 -7.719 8 2HG MET 1 1HG MET 1 -8.246 -20.443 -9.204 9 1HE MET 1 1HE MET 1 -6.661 -22.208 -6.060 10 2HE MET 1 2HE MET 1 -5.994 -20.578 -5.976 11 3HE MET 1 3HE MET 1 -4.942 -21.946 -6.347 12 H SER 2 H SER 2 -10.391 -18.573 -5.077 13 HA SER 2 HA SER 2 -10.333 -15.794 -4.629 14 1HB SER 2 2HB SER 2 -10.451 -18.094 -2.668 15 2HB SER 2 1HB SER 2 -10.729 -16.405 -2.245 16 HG SER 2 HG SER 2 -12.600 -17.913 -2.861 17 H ILE 3 H ILE 3 -8.605 -14.594 -4.499 18 HA ILE 3 HA ILE 3 -6.215 -15.657 -3.177 19 HB ILE 3 HB ILE 3 -4.916 -14.042 -4.627 20 1HG1 ILE 3 2HG1 ILE 3 -7.485 -14.029 -6.233 21 2HG1 ILE 3 1HG1 ILE 3 -6.846 -12.657 -5.335 22 1HG2 ILE 3 1HG2 ILE 3 -4.906 -16.434 -5.025 23 2HG2 ILE 3 2HG2 ILE 3 -4.887 -15.559 -6.556 24 3HG2 ILE 3 3HG2 ILE 3 -6.381 -16.300 -5.982 25 1HD1 ILE 3 1HD1 ILE 3 -5.526 -14.002 -7.685 26 2HD1 ILE 3 2HD1 ILE 3 -4.877 -12.633 -6.781 27 3HD1 ILE 3 3HD1 ILE 3 -6.369 -12.452 -7.702 28 H GLU 4 H GLU 4 -7.653 -14.787 -1.425 29 HA GLU 4 HA GLU 4 -8.153 -12.097 -0.986 30 1HB GLU 4 2HB GLU 4 -7.516 -14.239 1.039 31 2HB GLU 4 1HB GLU 4 -8.237 -12.679 1.409 32 1HG GLU 4 2HG GLU 4 -10.222 -13.206 0.292 33 2HG GLU 4 1HG GLU 4 -9.487 -14.594 -0.508 34 H VAL 5 H VAL 5 -6.768 -10.532 -1.065 35 HA VAL 5 HA VAL 5 -4.108 -10.850 0.150 36 HB VAL 5 HB VAL 5 -4.977 -8.472 -1.477 37 1HG1 VAL 5 1HG1 VAL 5 -2.288 -9.706 -0.910 38 2HG1 VAL 5 2HG1 VAL 5 -2.941 -8.237 -0.182 39 3HG1 VAL 5 3HG1 VAL 5 -2.567 -8.277 -1.906 40 1HG2 VAL 5 1HG2 VAL 5 -3.737 -10.990 -2.576 41 2HG2 VAL 5 2HG2 VAL 5 -4.049 -9.501 -3.474 42 3HG2 VAL 5 3HG2 VAL 5 -5.395 -10.453 -2.849 43 H ARG 6 H ARG 6 -3.723 -9.890 2.066 44 HA ARG 6 HA ARG 6 -5.469 -7.665 2.877 45 1HB ARG 6 2HB ARG 6 -4.500 -9.721 4.859 46 2HB ARG 6 1HB ARG 6 -5.733 -8.491 5.082 47 1HG ARG 6 2HG ARG 6 -7.152 -10.194 4.786 48 2HG ARG 6 1HG ARG 6 -6.817 -9.940 3.073 49 1HD ARG 6 2HD ARG 6 -5.172 -11.662 3.051 50 2HD ARG 6 1HD ARG 6 -5.209 -11.802 4.809 51 HE ARG 6 HE ARG 6 -7.780 -12.323 3.756 52 1HH1 ARG 6 1HH1 ARG 6 -4.599 -13.747 4.059 53 2HH1 ARG 6 2HH1 ARG 6 -5.172 -15.384 3.930 54 1HH2 ARG 6 1HH2 ARG 6 -8.548 -14.462 3.604 55 2HH2 ARG 6 2HH2 ARG 6 -7.428 -15.793 3.662 56 H ASP 7 H ASP 7 -4.488 -6.371 4.672 57 HA ASP 7 HA ASP 7 -1.713 -5.848 4.041 58 1HB ASP 7 2HB ASP 7 -1.953 -3.896 5.448 59 2HB ASP 7 1HB ASP 7 -3.371 -4.017 4.416 60 H CYS 8 H CYS 8 -0.758 -4.964 6.516 61 HA CYS 8 HA CYS 8 0.148 -7.471 7.579 62 1HB CYS 8 2HB CYS 8 1.474 -6.033 9.116 63 2HB CYS 8 1HB CYS 8 1.681 -5.601 7.421 64 HG CYS 8 HG CYS 8 0.373 -3.278 7.471 65 H ASN 9 H ASN 9 -2.543 -5.616 8.116 66 HA ASN 9 HA ASN 9 -2.814 -6.193 10.960 67 1HB ASN 9 2HB ASN 9 -3.549 -4.025 9.668 68 2HB ASN 9 1HB ASN 9 -4.951 -4.982 9.241 69 1HD2 ASN 9 1HD2 ASN 9 -6.490 -5.405 10.728 70 2HD2 ASN 9 2HD2 ASN 9 -6.501 -4.733 12.319 71 H GLY 10 H GLY 10 -4.302 -6.912 7.860 72 1HA GLY 10 2HA GLY 10 -5.071 -9.285 7.623 73 2HA GLY 10 1HA GLY 10 -5.881 -9.036 9.165 74 H ALA 11 H ALA 11 -5.841 -6.266 7.227 75 HA ALA 11 HA ALA 11 -8.690 -6.602 6.646 76 1HB ALA 11 1HB ALA 11 -6.910 -4.179 6.380 77 2HB ALA 11 2HB ALA 11 -7.976 -4.536 7.739 78 3HB ALA 11 3HB ALA 11 -8.658 -4.208 6.146 79 H LEU 12 H LEU 12 -9.478 -6.892 4.657 80 HA LEU 12 HA LEU 12 -7.741 -7.792 2.618 81 1HB LEU 12 2HB LEU 12 -10.686 -7.337 2.827 82 2HB LEU 12 1HB LEU 12 -9.972 -7.676 1.262 83 HG LEU 12 HG LEU 12 -9.532 -9.492 3.624 84 1HD1 LEU 12 1HD1 LEU 12 -11.711 -9.665 1.537 85 2HD1 LEU 12 2HD1 LEU 12 -11.951 -9.280 3.241 86 3HD1 LEU 12 3HD1 LEU 12 -11.356 -10.873 2.772 87 1HD2 LEU 12 1HD2 LEU 12 -9.380 -9.906 0.639 88 2HD2 LEU 12 2HD2 LEU 12 -9.053 -11.120 1.875 89 3HD2 LEU 12 3HD2 LEU 12 -8.006 -9.709 1.726 90 H LEU 13 H LEU 13 -7.175 -6.964 0.695 91 HA LEU 13 HA LEU 13 -7.630 -4.087 0.284 92 1HB LEU 13 2HB LEU 13 -5.398 -5.893 -0.653 93 2HB LEU 13 1HB LEU 13 -5.578 -4.220 -1.143 94 HG LEU 13 HG LEU 13 -5.191 -5.102 1.717 95 1HD1 LEU 13 1HD1 LEU 13 -2.895 -4.307 1.459 96 2HD1 LEU 13 2HD1 LEU 13 -3.186 -4.008 -0.253 97 3HD1 LEU 13 3HD1 LEU 13 -3.229 -5.655 0.374 98 1HD2 LEU 13 1HD2 LEU 13 -6.331 -2.951 1.432 99 2HD2 LEU 13 2HD2 LEU 13 -5.011 -2.393 0.400 100 3HD2 LEU 13 3HD2 LEU 13 -4.712 -2.745 2.104 101 H ALA 14 H ALA 14 -7.543 -3.459 -2.068 102 HA ALA 14 HA ALA 14 -8.304 -5.419 -4.026 103 1HB ALA 14 1HB ALA 14 -10.326 -3.345 -3.177 104 2HB ALA 14 2HB ALA 14 -10.446 -5.080 -2.885 105 3HB ALA 14 3HB ALA 14 -10.491 -4.457 -4.536 106 H ASP 15 H ASP 15 -8.974 -4.132 -6.133 107 HA ASP 15 HA ASP 15 -6.935 -2.245 -6.726 108 1HB ASP 15 2HB ASP 15 -8.070 -3.674 -8.442 109 2HB ASP 15 1HB ASP 15 -9.519 -2.692 -8.247 110 H GLY 16 H GLY 16 -6.843 -0.160 -6.234 111 1HA GLY 16 2HA GLY 16 -7.712 2.054 -6.175 112 2HA GLY 16 1HA GLY 16 -9.331 1.387 -5.998 113 H ASP 17 H ASP 17 -6.993 -0.127 -4.077 114 HA ASP 17 HA ASP 17 -8.139 1.064 -1.675 115 1HB ASP 17 2HB ASP 17 -7.386 -1.508 -2.304 116 2HB ASP 17 1HB ASP 17 -6.023 -0.946 -1.341 117 H ASN 18 H ASN 18 -6.616 1.601 0.138 118 HA ASN 18 HA ASN 18 -4.127 2.820 -0.904 119 1HB ASN 18 2HB ASN 18 -5.786 3.743 1.432 120 2HB ASN 18 1HB ASN 18 -4.271 4.446 0.944 121 1HD2 ASN 18 1HD2 ASN 18 -6.648 3.500 -1.435 122 2HD2 ASN 18 2HD2 ASN 18 -7.121 5.103 -1.868 123 H VAL 19 H VAL 19 -2.301 2.621 0.357 124 HA VAL 19 HA VAL 19 -2.470 1.216 2.902 125 HB VAL 19 HB VAL 19 -0.581 -0.293 2.344 126 1HG1 VAL 19 1HG1 VAL 19 -2.989 -0.693 0.578 127 2HG1 VAL 19 2HG1 VAL 19 -2.894 -1.104 2.290 128 3HG1 VAL 19 3HG1 VAL 19 -1.870 -1.943 1.123 129 1HG2 VAL 19 1HG2 VAL 19 -1.083 0.553 -0.507 130 2HG2 VAL 19 2HG2 VAL 19 0.027 -0.709 0.027 131 3HG2 VAL 19 3HG2 VAL 19 0.332 0.974 0.455 132 H SER 20 H SER 20 -0.212 1.176 3.946 133 HA SER 20 HA SER 20 1.575 3.254 3.026 134 1HB SER 20 2HB SER 20 0.127 3.470 5.661 135 2HB SER 20 1HB SER 20 1.515 4.457 5.212 136 HG SER 20 HG SER 20 -0.527 4.386 3.359 137 H LEU 21 H LEU 21 3.584 3.326 4.201 138 HA LEU 21 HA LEU 21 4.597 0.738 4.774 139 1HB LEU 21 2HB LEU 21 5.664 3.520 4.759 140 2HB LEU 21 1HB LEU 21 6.593 2.290 5.592 141 HG LEU 21 HG LEU 21 7.316 2.728 3.249 142 1HD1 LEU 21 1HD1 LEU 21 7.882 0.668 4.344 143 2HD1 LEU 21 2HD1 LEU 21 7.523 0.352 2.647 144 3HD1 LEU 21 3HD1 LEU 21 6.334 -0.041 3.892 145 1HD2 LEU 21 1HD2 LEU 21 5.135 3.105 2.231 146 2HD2 LEU 21 2HD2 LEU 21 4.693 1.425 2.540 147 3HD2 LEU 21 3HD2 LEU 21 5.998 1.801 1.415 148 H ILE 22 H ILE 22 4.614 -0.349 6.623 149 HA ILE 22 HA ILE 22 3.878 1.015 9.110 150 HB ILE 22 HB ILE 22 3.632 -1.185 10.089 151 1HG1 ILE 22 2HG1 ILE 22 4.606 -2.307 7.452 152 2HG1 ILE 22 1HG1 ILE 22 5.592 -2.198 8.904 153 1HG2 ILE 22 1HG2 ILE 22 2.444 -1.113 7.322 154 2HG2 ILE 22 2HG2 ILE 22 1.788 -0.310 8.748 155 3HG2 ILE 22 3HG2 ILE 22 1.859 -2.072 8.680 156 1HD1 ILE 22 1HD1 ILE 22 4.725 -4.434 8.593 157 2HD1 ILE 22 2HD1 ILE 22 3.074 -3.812 8.593 158 3HD1 ILE 22 3HD1 ILE 22 4.057 -3.705 10.053 159 H LYS 23 H LYS 23 6.630 0.111 7.467 160 HA LYS 23 HA LYS 23 8.328 0.549 9.763 161 1HB LYS 23 2HB LYS 23 9.683 -1.554 9.073 162 2HB LYS 23 1HB LYS 23 8.237 -1.781 10.048 163 1HG LYS 23 2HG LYS 23 7.110 -2.824 8.388 164 2HG LYS 23 1HG LYS 23 7.877 -1.871 7.121 165 1HD LYS 23 2HD LYS 23 8.612 -4.134 6.889 166 2HD LYS 23 1HD LYS 23 9.967 -3.185 7.496 167 1HE LYS 23 2HE LYS 23 9.851 -5.301 8.649 168 2HE LYS 23 1HE LYS 23 9.481 -3.989 9.762 169 1HZ LYS 23 1HZ LYS 23 7.159 -4.498 9.602 170 2HZ LYS 23 2HZ LYS 23 7.983 -5.930 9.971 171 3HZ LYS 23 3HZ LYS 23 7.435 -5.651 8.391 172 H ASP 24 H ASP 24 10.700 0.459 8.967 173 HA ASP 24 HA ASP 24 10.828 1.928 6.451 174 1HB ASP 24 2HB ASP 24 13.216 1.213 8.134 175 2HB ASP 24 1HB ASP 24 12.990 2.599 7.079 176 H LEU 25 H LEU 25 11.321 0.983 4.573 177 HA LEU 25 HA LEU 25 12.571 -1.685 4.652 178 1HB LEU 25 2HB LEU 25 10.419 -0.611 2.848 179 2HB LEU 25 1HB LEU 25 11.391 -1.988 2.386 180 HG LEU 25 HG LEU 25 9.336 -2.810 3.245 181 1HD1 LEU 25 1HD1 LEU 25 11.524 -3.112 5.293 182 2HD1 LEU 25 2HD1 LEU 25 11.192 -4.169 3.920 183 3HD1 LEU 25 3HD1 LEU 25 10.052 -4.081 5.266 184 1HD2 LEU 25 1HD2 LEU 25 8.546 -0.927 4.440 185 2HD2 LEU 25 2HD2 LEU 25 9.835 -1.067 5.631 186 3HD2 LEU 25 3HD2 LEU 25 8.580 -2.304 5.532 187 H LYS 26 H LYS 26 14.570 -1.621 3.912 188 HA LYS 26 HA LYS 26 15.283 0.376 1.901 189 1HB LYS 26 2HB LYS 26 16.686 0.144 3.950 190 2HB LYS 26 1HB LYS 26 17.072 -1.483 3.442 191 1HG LYS 26 2HG LYS 26 17.617 0.470 1.377 192 2HG LYS 26 1HG LYS 26 18.515 0.771 2.864 193 1HD LYS 26 2HD LYS 26 18.472 -1.793 1.270 194 2HD LYS 26 1HD LYS 26 19.811 -0.648 1.390 195 1HE LYS 26 2HE LYS 26 19.845 -1.083 3.858 196 2HE LYS 26 1HE LYS 26 18.669 -2.368 3.587 197 1HZ LYS 26 1HZ LYS 26 20.345 -3.308 1.973 198 2HZ LYS 26 2HZ LYS 26 20.760 -3.402 3.613 199 3HZ LYS 26 3HZ LYS 26 21.467 -2.214 2.629 200 H LEU 27 H LEU 27 15.716 -0.138 -0.105 201 HA LEU 27 HA LEU 27 15.164 -2.891 -0.927 202 1HB LEU 27 2HB LEU 27 14.685 -0.212 -2.096 203 2HB LEU 27 1HB LEU 27 15.043 -1.495 -3.228 204 HG LEU 27 HG LEU 27 12.644 -1.221 -2.990 205 1HD1 LEU 27 1HD1 LEU 27 13.473 -3.455 -3.420 206 2HD1 LEU 27 2HD1 LEU 27 12.039 -3.518 -2.395 207 3HD1 LEU 27 3HD1 LEU 27 13.638 -3.749 -1.688 208 1HD2 LEU 27 1HD2 LEU 27 12.588 -0.280 -0.738 209 2HD2 LEU 27 2HD2 LEU 27 13.065 -1.841 -0.067 210 3HD2 LEU 27 3HD2 LEU 27 11.507 -1.667 -0.875 211 H LYS 28 H LYS 28 16.321 -3.827 -2.654 212 HA LYS 28 HA LYS 28 19.152 -3.424 -2.498 213 1HB LYS 28 2HB LYS 28 17.439 -5.257 -4.184 214 2HB LYS 28 1HB LYS 28 19.197 -5.284 -4.190 215 1HG LYS 28 2HG LYS 28 19.293 -6.046 -1.964 216 2HG LYS 28 1HG LYS 28 17.588 -5.681 -1.685 217 1HD LYS 28 2HD LYS 28 16.893 -7.457 -3.114 218 2HD LYS 28 1HD LYS 28 18.538 -7.707 -3.702 219 1HE LYS 28 2HE LYS 28 17.711 -8.092 -0.831 220 2HE LYS 28 1HE LYS 28 17.727 -9.392 -2.023 221 1HZ LYS 28 1HZ LYS 28 19.768 -9.376 -0.741 222 2HZ LYS 28 2HZ LYS 28 20.077 -7.771 -1.188 223 3HZ LYS 28 3HZ LYS 28 20.095 -8.997 -2.360 224 H GLY 29 H GLY 29 20.375 -3.540 -4.699 225 1HA GLY 29 2HA GLY 29 20.841 -2.708 -6.794 226 2HA GLY 29 1HA GLY 29 19.150 -2.255 -6.948 227 H SER 30 H SER 30 18.459 -0.246 -6.104 228 HA SER 30 HA SER 30 20.445 1.799 -6.463 229 1HB SER 30 2HB SER 30 17.551 2.174 -5.677 230 2HB SER 30 1HB SER 30 18.608 3.327 -6.495 231 HG SER 30 HG SER 30 18.357 2.287 -8.351 232 H SER 31 H SER 31 19.684 -0.022 -3.857 233 HA SER 31 HA SER 31 19.936 0.142 -1.608 234 1HB SER 31 2HB SER 31 21.488 2.664 -2.257 235 2HB SER 31 1HB SER 31 21.595 1.718 -0.770 236 HG SER 31 HG SER 31 22.049 -0.033 -2.578 237 H THR 32 H THR 32 17.638 1.237 -2.833 238 HA THR 32 HA THR 32 16.930 3.808 -1.921 239 HB THR 32 HB THR 32 15.001 1.577 -2.550 240 HG1 THR 32 1HG THR 32 15.746 3.183 -4.655 241 1HG2 THR 32 1HG2 THR 32 14.022 3.683 -1.776 242 2HG2 THR 32 2HG2 THR 32 13.649 3.397 -3.475 243 3HG2 THR 32 3HG2 THR 32 14.899 4.560 -3.032 244 H VAL 33 H VAL 33 16.806 4.297 0.212 245 HA VAL 33 HA VAL 33 15.808 2.263 2.081 246 HB VAL 33 HB VAL 33 16.902 4.997 2.773 247 1HG1 VAL 33 1HG1 VAL 33 17.291 3.943 4.977 248 2HG1 VAL 33 2HG1 VAL 33 16.478 2.489 4.395 249 3HG1 VAL 33 3HG1 VAL 33 15.585 4.004 4.533 250 1HG2 VAL 33 1HG2 VAL 33 18.381 2.372 2.617 251 2HG2 VAL 33 2HG2 VAL 33 19.028 3.877 3.270 252 3HG2 VAL 33 3HG2 VAL 33 18.614 3.764 1.560 253 H LEU 34 H LEU 34 13.587 2.282 1.874 254 HA LEU 34 HA LEU 34 12.166 4.809 1.982 255 1HB LEU 34 2HB LEU 34 11.234 1.954 1.837 256 2HB LEU 34 1HB LEU 34 10.129 3.291 2.085 257 HG LEU 34 HG LEU 34 11.290 4.216 -0.101 258 1HD1 LEU 34 1HD1 LEU 34 12.916 2.422 -0.296 259 2HD1 LEU 34 2HD1 LEU 34 11.807 2.413 -1.667 260 3HD1 LEU 34 3HD1 LEU 34 11.616 1.233 -0.371 261 1HD2 LEU 34 1HD2 LEU 34 9.189 2.059 -0.075 262 2HD2 LEU 34 2HD2 LEU 34 9.478 3.202 -1.387 263 3HD2 LEU 34 3HD2 LEU 34 8.922 3.782 0.184 264 H LYS 35 H LYS 35 10.853 5.467 3.668 265 HA LYS 35 HA LYS 35 11.550 4.214 6.239 266 1HB LYS 35 2HB LYS 35 11.012 7.078 5.505 267 2HB LYS 35 1HB LYS 35 10.928 6.526 7.169 268 1HG LYS 35 2HG LYS 35 13.359 6.112 5.458 269 2HG LYS 35 1HG LYS 35 13.111 7.570 6.422 270 1HD LYS 35 2HD LYS 35 13.175 4.745 7.486 271 2HD LYS 35 1HD LYS 35 14.507 5.897 7.573 272 1HE LYS 35 2HE LYS 35 13.195 7.369 8.975 273 2HE LYS 35 1HE LYS 35 11.782 6.327 8.800 274 1HZ LYS 35 1HZ LYS 35 12.920 4.592 9.980 275 2HZ LYS 35 2HZ LYS 35 12.946 6.001 10.921 276 3HZ LYS 35 3HZ LYS 35 14.341 5.512 10.086 277 H ARG 36 H ARG 36 9.986 4.429 7.944 278 HA ARG 36 HA ARG 36 7.460 3.416 7.325 279 1HB ARG 36 2HB ARG 36 8.700 3.220 9.494 280 2HB ARG 36 1HB ARG 36 8.300 4.896 9.822 281 1HG ARG 36 2HG ARG 36 5.954 4.379 9.888 282 2HG ARG 36 1HG ARG 36 6.278 2.708 9.421 283 1HD ARG 36 2HD ARG 36 7.541 2.362 11.469 284 2HD ARG 36 1HD ARG 36 7.267 4.044 11.935 285 HE ARG 36 HE ARG 36 4.902 2.413 11.469 286 1HH1 ARG 36 1HH1 ARG 36 7.146 3.732 13.808 287 2HH1 ARG 36 2HH1 ARG 36 6.022 3.631 15.129 288 1HH2 ARG 36 1HH2 ARG 36 3.436 2.253 13.193 289 2HH2 ARG 36 2HH2 ARG 36 3.907 2.783 14.782 290 H GLY 37 H GLY 37 5.382 4.354 7.362 291 1HA GLY 37 2HA GLY 37 3.840 6.113 7.605 292 2HA GLY 37 1HA GLY 37 5.179 7.243 7.728 293 H THR 38 H THR 38 5.983 5.428 5.169 294 HA THR 38 HA THR 38 5.308 7.394 3.247 295 HB THR 38 HB THR 38 6.232 4.543 2.807 296 HG1 THR 38 1HG THR 38 7.974 5.373 3.724 297 1HG2 THR 38 1HG2 THR 38 5.261 5.556 0.788 298 2HG2 THR 38 2HG2 THR 38 7.005 5.343 0.628 299 3HG2 THR 38 3HG2 THR 38 6.339 6.941 0.966 300 H MET 39 H MET 39 3.433 7.678 2.215 301 HA MET 39 HA MET 39 1.372 5.665 2.469 302 1HB MET 39 2HB MET 39 0.431 7.716 2.930 303 2HB MET 39 1HB MET 39 1.410 8.557 1.736 304 1HG MET 39 2HG MET 39 -0.013 8.076 0.020 305 2HG MET 39 1HG MET 39 -0.582 6.584 0.765 306 1HE MET 39 1HE MET 39 -2.692 6.350 2.092 307 2HE MET 39 2HE MET 39 -3.346 7.623 3.127 308 3HE MET 39 3HE MET 39 -1.717 7.008 3.409 309 H ILE 40 H ILE 40 0.816 4.316 0.984 310 HA ILE 40 HA ILE 40 1.415 4.930 -1.837 311 HB ILE 40 HB ILE 40 1.270 2.182 -0.575 312 1HG1 ILE 40 2HG1 ILE 40 3.642 3.747 -1.611 313 2HG1 ILE 40 1HG1 ILE 40 3.316 3.356 0.072 314 1HG2 ILE 40 1HG2 ILE 40 2.107 1.416 -2.791 315 2HG2 ILE 40 2HG2 ILE 40 1.849 3.050 -3.404 316 3HG2 ILE 40 3HG2 ILE 40 0.479 2.092 -2.838 317 1HD1 ILE 40 1HD1 ILE 40 3.918 1.379 -2.115 318 2HD1 ILE 40 2HD1 ILE 40 3.589 0.983 -0.429 319 3HD1 ILE 40 3HD1 ILE 40 5.027 1.911 -0.851 320 H ARG 41 H ARG 41 -0.580 5.847 -2.283 321 HA ARG 41 HA ARG 41 -2.924 4.173 -1.706 322 1HB ARG 41 2HB ARG 41 -4.246 6.291 -2.138 323 2HB ARG 41 1HB ARG 41 -3.288 6.245 -0.668 324 1HG ARG 41 2HG ARG 41 -1.687 7.725 -1.533 325 2HG ARG 41 1HG ARG 41 -2.284 7.535 -3.178 326 1HD ARG 41 2HD ARG 41 -2.963 9.680 -2.175 327 2HD ARG 41 1HD ARG 41 -4.343 8.670 -2.606 328 HE ARG 41 HE ARG 41 -3.428 8.467 0.142 329 1HH1 ARG 41 1HH1 ARG 41 -5.633 10.019 -2.098 330 2HH1 ARG 41 2HH1 ARG 41 -6.795 10.418 -0.865 331 1HH2 ARG 41 1HH2 ARG 41 -4.970 9.008 1.758 332 2HH2 ARG 41 2HH2 ARG 41 -6.420 9.846 1.303 333 H GLY 42 H GLY 42 -4.260 3.503 -3.275 334 1HA GLY 42 2HA GLY 42 -5.111 3.454 -5.498 335 2HA GLY 42 1HA GLY 42 -3.671 4.310 -6.036 336 H ILE 43 H ILE 43 -4.238 1.362 -4.139 337 HA ILE 43 HA ILE 43 -2.232 0.019 -5.801 338 HB ILE 43 HB ILE 43 -1.819 -1.490 -3.997 339 1HG1 ILE 43 2HG1 ILE 43 -3.177 -0.846 -1.755 340 2HG1 ILE 43 1HG1 ILE 43 -4.416 -0.487 -2.951 341 1HG2 ILE 43 1HG2 ILE 43 -2.145 1.231 -2.744 342 2HG2 ILE 43 2HG2 ILE 43 -0.845 0.801 -3.858 343 3HG2 ILE 43 3HG2 ILE 43 -0.984 -0.024 -2.303 344 1HD1 ILE 43 1HD1 ILE 43 -4.234 -2.769 -3.810 345 2HD1 ILE 43 2HD1 ILE 43 -4.658 -2.737 -2.098 346 3HD1 ILE 43 3HD1 ILE 43 -3.009 -3.123 -2.592 347 H ARG 44 H ARG 44 -2.631 -2.308 -6.207 348 HA ARG 44 HA ARG 44 -5.440 -3.107 -6.196 349 1HB ARG 44 2HB ARG 44 -5.251 -3.859 -8.562 350 2HB ARG 44 1HB ARG 44 -5.205 -2.111 -8.368 351 1HG ARG 44 2HG ARG 44 -2.837 -2.076 -8.672 352 2HG ARG 44 1HG ARG 44 -2.767 -3.840 -8.677 353 1HD ARG 44 2HD ARG 44 -2.635 -2.971 -10.939 354 2HD ARG 44 1HD ARG 44 -4.123 -3.886 -10.705 355 HE ARG 44 HE ARG 44 -5.350 -1.851 -10.713 356 1HH1 ARG 44 1HH1 ARG 44 -1.922 -1.423 -11.355 357 2HH1 ARG 44 2HH1 ARG 44 -2.150 0.095 -12.190 358 1HH2 ARG 44 1HH2 ARG 44 -5.632 0.139 -11.831 359 2HH2 ARG 44 2HH2 ARG 44 -4.239 0.975 -12.447 360 H LEU 45 H LEU 45 -5.659 -5.428 -6.837 361 HA LEU 45 HA LEU 45 -3.666 -6.967 -5.439 362 1HB LEU 45 2HB LEU 45 -6.120 -7.936 -6.907 363 2HB LEU 45 1HB LEU 45 -5.181 -8.838 -5.731 364 HG LEU 45 HG LEU 45 -6.971 -6.473 -5.230 365 1HD1 LEU 45 1HD1 LEU 45 -8.155 -8.027 -3.773 366 2HD1 LEU 45 2HD1 LEU 45 -7.025 -9.305 -4.219 367 3HD1 LEU 45 3HD1 LEU 45 -8.097 -8.612 -5.436 368 1HD2 LEU 45 1HD2 LEU 45 -5.148 -7.848 -3.271 369 2HD2 LEU 45 2HD2 LEU 45 -6.332 -6.595 -2.892 370 3HD2 LEU 45 3HD2 LEU 45 -4.939 -6.216 -3.906 371 H THR 46 H THR 46 -2.497 -8.724 -6.336 372 HA THR 46 HA THR 46 -2.080 -8.497 -9.244 373 HB THR 46 HB THR 46 0.197 -9.367 -8.850 374 HG1 THR 46 1HG THR 46 -0.312 -9.037 -6.063 375 1HG2 THR 46 1HG2 THR 46 1.133 -7.388 -7.747 376 2HG2 THR 46 2HG2 THR 46 -0.471 -6.962 -7.153 377 3HG2 THR 46 3HG2 THR 46 -0.141 -6.949 -8.885 378 H ASP 47 H ASP 47 -0.504 -10.901 -9.409 379 HA ASP 47 HA ASP 47 -2.572 -12.909 -9.344 380 1HB ASP 47 2HB ASP 47 0.372 -13.095 -10.030 381 2HB ASP 47 1HB ASP 47 -0.768 -14.430 -10.175 382 H SER 48 H SER 48 -0.511 -11.614 -7.121 383 HA SER 48 HA SER 48 -0.074 -14.064 -5.601 384 1HB SER 48 2HB SER 48 1.824 -12.535 -5.842 385 2HB SER 48 1HB SER 48 0.870 -11.221 -5.158 386 HG SER 48 HG SER 48 2.403 -12.505 -3.749 387 H GLU 49 H GLU 49 -0.563 -14.058 -3.285 388 HA GLU 49 HA GLU 49 -3.096 -12.682 -2.710 389 1HB GLU 49 2HB GLU 49 -1.786 -14.916 -1.151 390 2HB GLU 49 1HB GLU 49 -3.430 -14.318 -0.978 391 1HG GLU 49 2HG GLU 49 -3.993 -15.164 -3.178 392 2HG GLU 49 1HG GLU 49 -2.330 -15.710 -3.405 393 H ASP 50 H ASP 50 0.143 -12.315 -2.250 394 HA ASP 50 HA ASP 50 -0.252 -10.834 0.261 395 1HB ASP 50 2HB ASP 50 1.937 -12.786 -0.417 396 2HB ASP 50 1HB ASP 50 2.117 -11.584 0.860 397 H GLU 51 H GLU 51 0.516 -10.610 -2.889 398 HA GLU 51 HA GLU 51 2.210 -8.252 -2.412 399 1HB GLU 51 2HB GLU 51 2.268 -10.203 -4.688 400 2HB GLU 51 1HB GLU 51 2.837 -8.567 -4.906 401 1HG GLU 51 2HG GLU 51 4.748 -9.847 -4.479 402 2HG GLU 51 1HG GLU 51 4.417 -8.978 -2.985 403 H ILE 52 H ILE 52 1.665 -6.397 -3.419 404 HA ILE 52 HA ILE 52 -0.692 -6.396 -5.155 405 HB ILE 52 HB ILE 52 -1.409 -4.242 -4.055 406 1HG1 ILE 52 2HG1 ILE 52 -0.592 -4.279 -1.522 407 2HG1 ILE 52 1HG1 ILE 52 0.834 -5.010 -2.243 408 1HG2 ILE 52 1HG2 ILE 52 -2.560 -6.353 -3.651 409 2HG2 ILE 52 2HG2 ILE 52 -2.567 -5.330 -2.216 410 3HG2 ILE 52 3HG2 ILE 52 -1.462 -6.699 -2.315 411 1HD1 ILE 52 1HD1 ILE 52 -0.331 -2.318 -2.914 412 2HD1 ILE 52 2HD1 ILE 52 1.052 -3.056 -3.722 413 3HD1 ILE 52 3HD1 ILE 52 1.151 -2.638 -2.012 414 H GLU 53 H GLU 53 -0.867 -4.304 -6.366 415 HA GLU 53 HA GLU 53 1.784 -3.118 -6.844 416 1HB GLU 53 2HB GLU 53 1.118 -4.694 -8.612 417 2HB GLU 53 1HB GLU 53 -0.356 -3.793 -8.853 418 1HG GLU 53 2HG GLU 53 2.138 -2.255 -9.115 419 2HG GLU 53 1HG GLU 53 1.844 -3.479 -10.348 420 H GLY 54 H GLY 54 1.817 -0.949 -6.644 421 1HA GLY 54 2HA GLY 54 -0.634 0.567 -7.051 422 2HA GLY 54 1HA GLY 54 -0.020 0.534 -5.406 423 H ARG 55 H ARG 55 0.029 2.887 -5.790 424 HA ARG 55 HA ARG 55 2.606 3.648 -6.972 425 1HB ARG 55 2HB ARG 55 1.644 5.613 -7.982 426 2HB ARG 55 1HB ARG 55 0.798 4.185 -8.556 427 1HG ARG 55 2HG ARG 55 -1.025 4.635 -7.006 428 2HG ARG 55 1HG ARG 55 -0.181 6.072 -6.433 429 1HD ARG 55 2HD ARG 55 -0.259 7.009 -8.698 430 2HD ARG 55 1HD ARG 55 -1.129 5.581 -9.252 431 HE ARG 55 HE ARG 55 -2.672 6.517 -7.226 432 1HH1 ARG 55 1HH1 ARG 55 -1.269 8.030 -10.045 433 2HH1 ARG 55 2HH1 ARG 55 -2.619 9.093 -10.316 434 1HH2 ARG 55 1HH2 ARG 55 -4.447 7.917 -7.541 435 2HH2 ARG 55 2HH2 ARG 55 -4.435 9.042 -8.877 436 H THR 56 H THR 56 3.688 5.258 -5.915 437 HA THR 56 HA THR 56 2.352 6.426 -3.566 438 HB THR 56 HB THR 56 4.030 4.792 -2.849 439 HG1 THR 56 1HG THR 56 3.908 6.483 -1.452 440 1HG2 THR 56 1HG2 THR 56 5.473 4.864 -4.829 441 2HG2 THR 56 2HG2 THR 56 6.391 5.073 -3.337 442 3HG2 THR 56 3HG2 THR 56 6.034 6.467 -4.355 443 H ASP 57 H ASP 57 4.000 8.424 -2.892 444 HA ASP 57 HA ASP 57 3.487 10.335 -4.909 445 1HB ASP 57 2HB ASP 57 5.113 10.492 -2.374 446 2HB ASP 57 1HB ASP 57 4.865 11.873 -3.436 447 H LYS 58 H LYS 58 6.152 8.261 -4.366 448 HA LYS 58 HA LYS 58 7.823 9.775 -6.233 449 1HB LYS 58 2HB LYS 58 8.399 7.479 -4.377 450 2HB LYS 58 1HB LYS 58 9.516 7.938 -5.651 451 1HG LYS 58 2HG LYS 58 9.724 10.163 -4.684 452 2HG LYS 58 1HG LYS 58 8.584 9.720 -3.411 453 1HD LYS 58 2HD LYS 58 10.086 8.087 -2.533 454 2HD LYS 58 1HD LYS 58 11.162 8.248 -3.922 455 1HE LYS 58 2HE LYS 58 10.567 10.460 -1.964 456 2HE LYS 58 1HE LYS 58 11.969 9.397 -1.865 457 1HZ LYS 58 1HZ LYS 58 11.335 11.203 -4.143 458 2HZ LYS 58 2HZ LYS 58 12.690 10.189 -4.028 459 3HZ LYS 58 3HZ LYS 58 12.511 11.487 -2.952 460 H ILE 59 H ILE 59 7.270 6.289 -5.751 461 HA ILE 59 HA ILE 59 7.523 5.920 -8.636 462 HB ILE 59 HB ILE 59 7.394 3.785 -6.498 463 1HG1 ILE 59 2HG1 ILE 59 9.949 3.707 -7.257 464 2HG1 ILE 59 1HG1 ILE 59 9.647 5.415 -7.545 465 1HG2 ILE 59 1HG2 ILE 59 6.801 3.015 -8.735 466 2HG2 ILE 59 2HG2 ILE 59 8.343 2.335 -8.217 467 3HG2 ILE 59 3HG2 ILE 59 8.311 3.670 -9.368 468 1HD1 ILE 59 1HD1 ILE 59 8.957 5.687 -5.225 469 2HD1 ILE 59 2HD1 ILE 59 10.597 5.052 -5.349 470 3HD1 ILE 59 3HD1 ILE 59 9.263 3.975 -4.935 471 H LYS 60 H LYS 60 5.776 5.687 -9.860 472 HA LYS 60 HA LYS 60 3.295 4.767 -8.594 473 1HB LYS 60 2HB LYS 60 2.172 5.635 -10.640 474 2HB LYS 60 1HB LYS 60 3.016 6.878 -9.726 475 1HG LYS 60 2HG LYS 60 4.546 7.236 -11.357 476 2HG LYS 60 1HG LYS 60 4.521 5.554 -11.890 477 1HD LYS 60 2HD LYS 60 2.340 7.575 -12.408 478 2HD LYS 60 1HD LYS 60 3.578 7.097 -13.571 479 1HE LYS 60 2HE LYS 60 1.480 5.314 -12.340 480 2HE LYS 60 1HE LYS 60 1.519 5.892 -14.005 481 1HZ LYS 60 1HZ LYS 60 3.527 4.630 -14.387 482 2HZ LYS 60 2HZ LYS 60 2.328 3.597 -13.778 483 3HZ LYS 60 3HZ LYS 60 3.576 4.134 -12.770 484 H GLY 61 H GLY 61 2.730 2.714 -8.896 485 1HA GLY 61 2HA GLY 61 2.126 0.870 -10.210 486 2HA GLY 61 1HA GLY 61 3.100 1.512 -11.522 487 H LEU 62 H LEU 62 3.829 0.637 -8.144 488 HA LEU 62 HA LEU 62 5.852 -1.201 -9.216 489 1HB LEU 62 2HB LEU 62 7.288 -0.784 -7.412 490 2HB LEU 62 1HB LEU 62 6.743 0.787 -7.939 491 HG LEU 62 HG LEU 62 5.622 -0.660 -5.540 492 1HD1 LEU 62 1HD1 LEU 62 7.983 -0.176 -5.213 493 2HD1 LEU 62 2HD1 LEU 62 6.991 0.891 -4.218 494 3HD1 LEU 62 3HD1 LEU 62 7.724 1.498 -5.703 495 1HD2 LEU 62 1HD2 LEU 62 4.084 0.987 -6.412 496 2HD2 LEU 62 2HD2 LEU 62 5.370 2.190 -6.507 497 3HD2 LEU 62 3HD2 LEU 62 4.819 1.608 -4.934 498 H VAL 63 H VAL 63 5.952 -3.242 -8.405 499 HA VAL 63 HA VAL 63 3.569 -4.126 -6.969 500 HB VAL 63 HB VAL 63 5.709 -5.817 -8.269 501 1HG1 VAL 63 1HG1 VAL 63 2.924 -6.513 -7.351 502 2HG1 VAL 63 2HG1 VAL 63 4.427 -6.992 -6.565 503 3HG1 VAL 63 3HG1 VAL 63 4.041 -7.601 -8.173 504 1HG2 VAL 63 1HG2 VAL 63 3.039 -4.970 -9.381 505 2HG2 VAL 63 2HG2 VAL 63 4.166 -6.092 -10.141 506 3HG2 VAL 63 3HG2 VAL 63 4.615 -4.400 -9.930 507 H LEU 64 H LEU 64 3.664 -4.387 -4.855 508 HA LEU 64 HA LEU 64 6.229 -5.216 -3.656 509 1HB LEU 64 2HB LEU 64 4.483 -2.923 -2.824 510 2HB LEU 64 1HB LEU 64 5.488 -3.753 -1.654 511 HG LEU 64 HG LEU 64 6.580 -2.502 -4.169 512 1HD1 LEU 64 1HD1 LEU 64 7.351 -0.684 -2.725 513 2HD1 LEU 64 2HD1 LEU 64 6.475 -1.391 -1.365 514 3HD1 LEU 64 3HD1 LEU 64 5.590 -0.779 -2.765 515 1HD2 LEU 64 1HD2 LEU 64 8.710 -2.680 -2.859 516 2HD2 LEU 64 2HD2 LEU 64 8.003 -4.225 -3.328 517 3HD2 LEU 64 3HD2 LEU 64 7.829 -3.647 -1.671 518 H ARG 65 H ARG 65 6.128 -6.380 -1.747 519 HA ARG 65 HA ARG 65 3.791 -7.965 -1.345 520 1HB ARG 65 2HB ARG 65 5.202 -8.565 0.822 521 2HB ARG 65 1HB ARG 65 5.636 -9.193 -0.762 522 1HG ARG 65 2HG ARG 65 7.316 -7.506 -1.018 523 2HG ARG 65 1HG ARG 65 6.842 -6.730 0.487 524 1HD ARG 65 2HD ARG 65 7.624 -8.564 1.774 525 2HD ARG 65 1HD ARG 65 7.771 -9.595 0.352 526 HE ARG 65 HE ARG 65 9.527 -7.745 -0.283 527 1HH1 ARG 65 1HH1 ARG 65 8.985 -9.225 2.865 528 2HH1 ARG 65 2HH1 ARG 65 10.657 -9.096 3.340 529 1HH2 ARG 65 1HH2 ARG 65 11.707 -7.588 0.354 530 2HH2 ARG 65 2HH2 ARG 65 12.206 -8.171 1.913 531 H THR 66 H THR 66 2.189 -7.689 0.057 532 HA THR 66 HA THR 66 2.035 -5.100 1.349 533 HB THR 66 HB THR 66 0.140 -5.907 0.010 534 HG1 THR 66 1HG THR 66 -0.548 -5.799 2.774 535 1HG2 THR 66 1HG2 THR 66 0.348 -8.299 0.421 536 2HG2 THR 66 2HG2 THR 66 -1.274 -7.735 0.827 537 3HG2 THR 66 3HG2 THR 66 -0.107 -8.062 2.108 538 H GLU 67 H GLU 67 3.842 -7.194 2.402 539 HA GLU 67 HA GLU 67 2.577 -8.133 4.846 540 1HB GLU 67 2HB GLU 67 4.816 -9.095 5.322 541 2HB GLU 67 1HB GLU 67 4.173 -9.596 3.763 542 1HG GLU 67 2HG GLU 67 5.773 -8.531 2.599 543 2HG GLU 67 1HG GLU 67 5.871 -7.192 3.740 544 H PHE 68 H PHE 68 4.340 -5.471 3.714 545 HA PHE 68 HA PHE 68 4.827 -4.569 6.462 546 1HB PHE 68 2HB PHE 68 6.704 -3.233 5.556 547 2HB PHE 68 1HB PHE 68 6.911 -4.964 5.312 548 HD1 PHE 68 1HD PHE 68 5.883 -1.854 3.558 549 HD2 PHE 68 2HD PHE 68 7.359 -5.829 3.216 550 HE1 PHE 68 1HE PHE 68 6.335 -1.477 1.171 551 HE2 PHE 68 2HE PHE 68 7.808 -5.458 0.826 552 HZ PHE 68 HZ PHE 68 7.297 -3.281 -0.199 553 H LEU 69 H LEU 69 2.522 -4.330 4.509 554 HA LEU 69 HA LEU 69 2.396 -1.387 4.432 555 1HB LEU 69 2HB LEU 69 0.937 -3.357 2.676 556 2HB LEU 69 1HB LEU 69 0.785 -1.617 2.596 557 HG LEU 69 HG LEU 69 3.338 -3.130 2.029 558 1HD1 LEU 69 1HD1 LEU 69 1.640 -3.642 0.362 559 2HD1 LEU 69 2HD1 LEU 69 2.895 -2.608 -0.319 560 3HD1 LEU 69 3HD1 LEU 69 1.333 -1.921 0.128 561 1HD2 LEU 69 1HD2 LEU 69 4.062 -0.985 1.059 562 2HD2 LEU 69 2HD2 LEU 69 3.745 -0.868 2.792 563 3HD2 LEU 69 3HD2 LEU 69 2.570 -0.240 1.635 564 H LYS 70 H LYS 70 0.516 -0.397 5.027 565 HA LYS 70 HA LYS 70 -1.352 -2.040 6.606 566 1HB LYS 70 2HB LYS 70 0.331 -0.077 7.530 567 2HB LYS 70 1HB LYS 70 -1.151 0.824 7.249 568 1HG LYS 70 2HG LYS 70 -0.739 -1.547 9.046 569 2HG LYS 70 1HG LYS 70 -1.158 0.103 9.512 570 1HD LYS 70 2HD LYS 70 -3.280 -0.214 8.159 571 2HD LYS 70 1HD LYS 70 -2.864 -1.919 8.086 572 1HE LYS 70 2HE LYS 70 -2.959 -2.115 10.470 573 2HE LYS 70 1HE LYS 70 -3.178 -0.375 10.651 574 1HZ LYS 70 1HZ LYS 70 -5.254 -1.586 10.887 575 2HZ LYS 70 2HZ LYS 70 -5.085 -2.217 9.325 576 3HZ LYS 70 3HZ LYS 70 -5.309 -0.553 9.544 577 H LYS 71 H LYS 71 -3.450 -1.916 6.006 578 HA LYS 71 HA LYS 71 -4.253 -0.487 3.713 579 1HB LYS 71 2HB LYS 71 -5.378 -2.534 4.630 580 2HB LYS 71 1HB LYS 71 -6.040 -1.534 5.914 581 1HG LYS 71 2HG LYS 71 -7.016 -0.106 4.010 582 2HG LYS 71 1HG LYS 71 -6.674 -1.504 2.991 583 1HD LYS 71 2HD LYS 71 -8.025 -2.914 4.460 584 2HD LYS 71 1HD LYS 71 -8.362 -1.525 5.492 585 1HE LYS 71 2HE LYS 71 -10.257 -1.819 4.098 586 2HE LYS 71 1HE LYS 71 -9.383 -0.414 3.486 587 1HZ LYS 71 1HZ LYS 71 -10.202 -2.063 1.787 588 2HZ LYS 71 2HZ LYS 71 -9.010 -3.124 2.349 589 3HZ LYS 71 3HZ LYS 71 -8.567 -1.634 1.671 590 H ALA 72 H ALA 72 -4.589 1.619 3.506 591 HA ALA 72 HA ALA 72 -4.716 3.282 5.890 592 1HB ALA 72 1HB ALA 72 -4.470 4.053 2.983 593 2HB ALA 72 2HB ALA 72 -3.136 3.854 4.119 594 3HB ALA 72 3HB ALA 72 -4.314 5.144 4.359 595 H GLY 73 H GLY 73 -7.044 1.693 5.180 596 1HA GLY 73 2HA GLY 73 -9.016 3.551 4.161 597 2HA GLY 73 1HA GLY 73 -9.323 1.925 4.757 598 H SER 74 H SER 74 -7.612 2.831 7.162 599 HA SER 74 HA SER 74 -9.322 4.751 8.473 600 1HB SER 74 2HB SER 74 -9.069 1.914 9.511 601 2HB SER 74 1HB SER 74 -9.781 3.257 10.407 602 HG SER 74 HG SER 74 -10.899 3.136 7.979 Start of MODEL 19 1 1H MET 1 1HT MET 1 -10.985 -16.596 -1.124 2 2H MET 1 2HT MET 1 -10.961 -18.120 -1.869 3 3H MET 1 3HT MET 1 -12.350 -17.600 -1.055 4 HA MET 1 HA MET 1 -12.736 -17.398 -3.375 5 1HB MET 1 2HB MET 1 -12.174 -14.714 -2.097 6 2HB MET 1 1HB MET 1 -13.138 -14.952 -3.547 7 1HG MET 1 2HG MET 1 -14.718 -16.316 -2.246 8 2HG MET 1 1HG MET 1 -13.768 -15.995 -0.796 9 1HE MET 1 1HE MET 1 -14.592 -13.526 -3.768 10 2HE MET 1 2HE MET 1 -16.061 -12.759 -3.163 11 3HE MET 1 3HE MET 1 -16.067 -14.474 -3.579 12 H SER 2 H SER 2 -9.701 -17.583 -2.816 13 HA SER 2 HA SER 2 -7.796 -17.459 -4.006 14 1HB SER 2 2HB SER 2 -9.543 -16.412 -6.244 15 2HB SER 2 1HB SER 2 -7.869 -16.939 -6.413 16 HG SER 2 HG SER 2 -10.181 -18.454 -5.920 17 H ILE 3 H ILE 3 -6.159 -16.105 -4.064 18 HA ILE 3 HA ILE 3 -5.008 -14.295 -3.367 19 HB ILE 3 HB ILE 3 -5.056 -12.409 -4.990 20 1HG1 ILE 3 2HG1 ILE 3 -6.996 -14.080 -6.573 21 2HG1 ILE 3 1HG1 ILE 3 -7.543 -12.781 -5.526 22 1HG2 ILE 3 1HG2 ILE 3 -3.589 -14.296 -5.303 23 2HG2 ILE 3 2HG2 ILE 3 -4.210 -13.763 -6.865 24 3HG2 ILE 3 3HG2 ILE 3 -4.874 -15.204 -6.097 25 1HD1 ILE 3 1HD1 ILE 3 -6.180 -11.199 -6.809 26 2HD1 ILE 3 2HD1 ILE 3 -7.369 -12.026 -7.819 27 3HD1 ILE 3 3HD1 ILE 3 -5.675 -12.516 -7.868 28 H GLU 4 H GLU 4 -6.928 -14.413 -1.579 29 HA GLU 4 HA GLU 4 -8.146 -11.821 -1.287 30 1HB GLU 4 2HB GLU 4 -7.798 -14.150 0.588 31 2HB GLU 4 1HB GLU 4 -8.484 -12.619 1.115 32 1HG GLU 4 2HG GLU 4 -10.294 -12.813 -0.409 33 2HG GLU 4 1HG GLU 4 -9.555 -14.212 -1.182 34 H VAL 5 H VAL 5 -6.468 -10.444 -1.580 35 HA VAL 5 HA VAL 5 -4.043 -10.669 -0.057 36 HB VAL 5 HB VAL 5 -4.837 -8.188 -1.544 37 1HG1 VAL 5 1HG1 VAL 5 -2.429 -8.092 -1.990 38 2HG1 VAL 5 2HG1 VAL 5 -2.214 -9.599 -1.097 39 3HG1 VAL 5 3HG1 VAL 5 -2.779 -8.150 -0.262 40 1HG2 VAL 5 1HG2 VAL 5 -3.752 -10.705 -2.806 41 2HG2 VAL 5 2HG2 VAL 5 -3.969 -9.150 -3.613 42 3HG2 VAL 5 3HG2 VAL 5 -5.373 -10.051 -3.040 43 H ARG 6 H ARG 6 -3.742 -9.949 1.909 44 HA ARG 6 HA ARG 6 -5.427 -7.757 2.912 45 1HB ARG 6 2HB ARG 6 -4.529 -10.129 4.539 46 2HB ARG 6 1HB ARG 6 -5.595 -8.839 5.053 47 1HG ARG 6 2HG ARG 6 -7.306 -9.584 3.671 48 2HG ARG 6 1HG ARG 6 -6.252 -10.661 2.775 49 1HD ARG 6 2HD ARG 6 -5.908 -11.918 4.911 50 2HD ARG 6 1HD ARG 6 -7.180 -10.923 5.619 51 HE ARG 6 HE ARG 6 -8.481 -11.880 3.540 52 1HH1 ARG 6 1HH1 ARG 6 -6.277 -13.544 5.684 53 2HH1 ARG 6 2HH1 ARG 6 -7.040 -15.095 5.476 54 1HH2 ARG 6 1HH2 ARG 6 -9.489 -13.936 3.240 55 2HH2 ARG 6 2HH2 ARG 6 -8.851 -15.316 4.092 56 H ASP 7 H ASP 7 -4.441 -6.409 4.489 57 HA ASP 7 HA ASP 7 -1.621 -6.023 4.017 58 1HB ASP 7 2HB ASP 7 -1.867 -3.962 5.105 59 2HB ASP 7 1HB ASP 7 -3.431 -4.212 4.342 60 H CYS 8 H CYS 8 -0.553 -5.156 6.341 61 HA CYS 8 HA CYS 8 0.169 -7.570 7.613 62 1HB CYS 8 2HB CYS 8 1.454 -6.129 9.151 63 2HB CYS 8 1HB CYS 8 1.711 -5.701 7.464 64 HG CYS 8 HG CYS 8 0.196 -3.421 7.494 65 H ASN 9 H ASN 9 -2.354 -5.268 8.277 66 HA ASN 9 HA ASN 9 -2.799 -6.200 10.972 67 1HB ASN 9 2HB ASN 9 -4.106 -4.241 9.136 68 2HB ASN 9 1HB ASN 9 -5.025 -4.866 10.491 69 1HD2 ASN 9 1HD2 ASN 9 -1.564 -4.254 10.457 70 2HD2 ASN 9 2HD2 ASN 9 -1.597 -2.985 11.628 71 H GLY 10 H GLY 10 -3.933 -6.900 7.757 72 1HA GLY 10 2HA GLY 10 -4.748 -9.149 7.342 73 2HA GLY 10 1HA GLY 10 -5.563 -9.084 8.896 74 H ALA 11 H ALA 11 -5.697 -6.203 7.081 75 HA ALA 11 HA ALA 11 -8.549 -6.616 6.623 76 1HB ALA 11 1HB ALA 11 -8.592 -4.229 6.086 77 2HB ALA 11 2HB ALA 11 -6.835 -4.163 6.222 78 3HB ALA 11 3HB ALA 11 -7.818 -4.518 7.643 79 H LEU 12 H LEU 12 -9.476 -6.797 4.644 80 HA LEU 12 HA LEU 12 -7.821 -7.704 2.522 81 1HB LEU 12 2HB LEU 12 -10.755 -7.313 2.900 82 2HB LEU 12 1HB LEU 12 -10.129 -7.591 1.284 83 HG LEU 12 HG LEU 12 -9.512 -9.455 3.568 84 1HD1 LEU 12 1HD1 LEU 12 -11.948 -9.322 3.323 85 2HD1 LEU 12 2HD1 LEU 12 -11.323 -10.878 2.777 86 3HD1 LEU 12 3HD1 LEU 12 -11.792 -9.651 1.598 87 1HD2 LEU 12 1HD2 LEU 12 -8.074 -9.599 1.611 88 2HD2 LEU 12 2HD2 LEU 12 -9.485 -9.767 0.568 89 3HD2 LEU 12 3HD2 LEU 12 -9.098 -11.028 1.738 90 H LEU 13 H LEU 13 -7.239 -6.794 0.675 91 HA LEU 13 HA LEU 13 -7.729 -3.917 0.370 92 1HB LEU 13 2HB LEU 13 -5.569 -5.720 -0.732 93 2HB LEU 13 1HB LEU 13 -5.738 -4.023 -1.144 94 HG LEU 13 HG LEU 13 -5.263 -5.036 1.660 95 1HD1 LEU 13 1HD1 LEU 13 -3.315 -3.878 -0.333 96 2HD1 LEU 13 2HD1 LEU 13 -3.347 -5.544 0.247 97 3HD1 LEU 13 3HD1 LEU 13 -2.970 -4.230 1.360 98 1HD2 LEU 13 1HD2 LEU 13 -6.403 -2.867 1.496 99 2HD2 LEU 13 2HD2 LEU 13 -5.098 -2.267 0.468 100 3HD2 LEU 13 3HD2 LEU 13 -4.772 -2.706 2.147 101 H ALA 14 H ALA 14 -7.610 -3.258 -2.045 102 HA ALA 14 HA ALA 14 -8.595 -5.144 -3.960 103 1HB ALA 14 1HB ALA 14 -10.665 -4.745 -2.749 104 2HB ALA 14 2HB ALA 14 -10.753 -4.039 -4.363 105 3HB ALA 14 3HB ALA 14 -10.476 -3.006 -2.961 106 H ASP 15 H ASP 15 -9.216 -3.912 -6.032 107 HA ASP 15 HA ASP 15 -7.145 -2.140 -6.754 108 1HB ASP 15 2HB ASP 15 -8.231 -3.519 -8.431 109 2HB ASP 15 1HB ASP 15 -9.780 -2.745 -8.114 110 H GLY 16 H GLY 16 -6.925 -0.065 -6.333 111 1HA GLY 16 2HA GLY 16 -7.621 2.193 -6.317 112 2HA GLY 16 1HA GLY 16 -9.288 1.658 -6.159 113 H ASP 17 H ASP 17 -6.958 0.147 -4.137 114 HA ASP 17 HA ASP 17 -8.201 1.454 -1.831 115 1HB ASP 17 2HB ASP 17 -7.881 -1.157 -2.254 116 2HB ASP 17 1HB ASP 17 -6.332 -0.836 -1.488 117 H ASN 18 H ASN 18 -6.588 1.530 0.160 118 HA ASN 18 HA ASN 18 -4.076 2.719 -0.771 119 1HB ASN 18 2HB ASN 18 -4.392 4.502 1.029 120 2HB ASN 18 1HB ASN 18 -5.331 4.668 -0.446 121 1HD2 ASN 18 1HD2 ASN 18 -6.709 6.028 0.692 122 2HD2 ASN 18 2HD2 ASN 18 -7.924 5.410 1.758 123 H VAL 19 H VAL 19 -2.343 2.459 0.462 124 HA VAL 19 HA VAL 19 -2.608 1.296 3.134 125 HB VAL 19 HB VAL 19 -0.831 -0.377 2.670 126 1HG1 VAL 19 1HG1 VAL 19 -3.265 -0.667 0.912 127 2HG1 VAL 19 2HG1 VAL 19 -3.187 -1.037 2.634 128 3HG1 VAL 19 3HG1 VAL 19 -2.234 -1.978 1.485 129 1HG2 VAL 19 1HG2 VAL 19 -1.231 0.458 -0.201 130 2HG2 VAL 19 2HG2 VAL 19 -0.331 -0.964 0.323 131 3HG2 VAL 19 3HG2 VAL 19 0.236 0.647 0.757 132 H SER 20 H SER 20 -0.308 1.162 4.151 133 HA SER 20 HA SER 20 1.533 3.137 3.128 134 1HB SER 20 2HB SER 20 0.062 3.532 5.722 135 2HB SER 20 1HB SER 20 1.512 4.428 5.286 136 HG SER 20 HG SER 20 -0.447 4.405 3.355 137 H LEU 21 H LEU 21 3.545 3.218 4.263 138 HA LEU 21 HA LEU 21 4.537 0.657 4.957 139 1HB LEU 21 2HB LEU 21 5.619 3.440 4.913 140 2HB LEU 21 1HB LEU 21 6.530 2.208 5.757 141 HG LEU 21 HG LEU 21 7.285 2.643 3.420 142 1HD1 LEU 21 1HD1 LEU 21 7.813 0.570 4.545 143 2HD1 LEU 21 2HD1 LEU 21 7.530 0.283 2.830 144 3HD1 LEU 21 3HD1 LEU 21 6.289 -0.134 4.013 145 1HD2 LEU 21 1HD2 LEU 21 5.979 1.710 1.575 146 2HD2 LEU 21 2HD2 LEU 21 5.118 3.023 2.378 147 3HD2 LEU 21 3HD2 LEU 21 4.662 1.348 2.691 148 H ILE 22 H ILE 22 4.858 -0.324 6.893 149 HA ILE 22 HA ILE 22 3.998 1.117 9.306 150 HB ILE 22 HB ILE 22 4.048 -1.066 10.426 151 1HG1 ILE 22 2HG1 ILE 22 4.816 -2.172 7.716 152 2HG1 ILE 22 1HG1 ILE 22 5.887 -2.065 9.108 153 1HG2 ILE 22 1HG2 ILE 22 2.533 -1.032 7.828 154 2HG2 ILE 22 2HG2 ILE 22 2.000 -0.366 9.372 155 3HG2 ILE 22 3HG2 ILE 22 2.200 -2.109 9.183 156 1HD1 ILE 22 1HD1 ILE 22 4.436 -3.601 10.334 157 2HD1 ILE 22 2HD1 ILE 22 5.032 -4.314 8.834 158 3HD1 ILE 22 3HD1 ILE 22 3.377 -3.713 8.930 159 H LYS 23 H LYS 23 6.796 0.507 7.671 160 HA LYS 23 HA LYS 23 8.495 1.214 9.868 161 1HB LYS 23 2HB LYS 23 9.968 -0.857 9.479 162 2HB LYS 23 1HB LYS 23 8.497 -1.092 10.414 163 1HG LYS 23 2HG LYS 23 7.413 -2.179 8.664 164 2HG LYS 23 1HG LYS 23 8.548 -1.570 7.466 165 1HD LYS 23 2HD LYS 23 9.257 -3.738 7.659 166 2HD LYS 23 1HD LYS 23 10.285 -2.952 8.856 167 1HE LYS 23 2HE LYS 23 7.686 -4.349 9.474 168 2HE LYS 23 1HE LYS 23 9.279 -5.084 9.624 169 1HZ LYS 23 1HZ LYS 23 9.820 -3.256 11.226 170 2HZ LYS 23 2HZ LYS 23 8.633 -4.339 11.762 171 3HZ LYS 23 3HZ LYS 23 8.179 -2.810 11.192 172 H ASP 24 H ASP 24 10.910 1.074 8.970 173 HA ASP 24 HA ASP 24 10.809 2.331 6.334 174 1HB ASP 24 2HB ASP 24 13.312 2.050 7.962 175 2HB ASP 24 1HB ASP 24 12.889 3.296 6.801 176 H LEU 25 H LEU 25 11.021 1.016 4.648 177 HA LEU 25 HA LEU 25 12.557 -1.470 4.951 178 1HB LEU 25 2HB LEU 25 10.384 -0.614 3.067 179 2HB LEU 25 1HB LEU 25 11.447 -1.935 2.640 180 HG LEU 25 HG LEU 25 9.384 -2.797 3.546 181 1HD1 LEU 25 1HD1 LEU 25 11.338 -4.109 4.048 182 2HD1 LEU 25 2HD1 LEU 25 10.255 -4.136 5.445 183 3HD1 LEU 25 3HD1 LEU 25 11.692 -3.112 5.458 184 1HD2 LEU 25 1HD2 LEU 25 10.015 -1.229 6.029 185 2HD2 LEU 25 2HD2 LEU 25 8.673 -2.355 5.809 186 3HD2 LEU 25 3HD2 LEU 25 8.742 -0.870 4.868 187 H LYS 26 H LYS 26 14.498 -1.656 4.038 188 HA LYS 26 HA LYS 26 15.325 0.410 2.147 189 1HB LYS 26 2HB LYS 26 16.917 -1.691 3.610 190 2HB LYS 26 1HB LYS 26 17.600 -0.603 2.413 191 1HG LYS 26 2HG LYS 26 18.108 0.424 4.394 192 2HG LYS 26 1HG LYS 26 16.658 1.271 3.882 193 1HD LYS 26 2HD LYS 26 15.325 -0.244 5.339 194 2HD LYS 26 1HD LYS 26 16.835 -0.929 5.938 195 1HE LYS 26 2HE LYS 26 17.496 1.222 6.825 196 2HE LYS 26 1HE LYS 26 16.060 1.978 6.135 197 1HZ LYS 26 1HZ LYS 26 15.751 1.535 8.481 198 2HZ LYS 26 2HZ LYS 26 16.083 -0.114 8.249 199 3HZ LYS 26 3HZ LYS 26 14.694 0.574 7.568 200 H LEU 27 H LEU 27 16.261 -0.054 0.182 201 HA LEU 27 HA LEU 27 15.489 -2.661 -0.959 202 1HB LEU 27 2HB LEU 27 14.775 0.089 -1.825 203 2HB LEU 27 1HB LEU 27 15.154 -1.065 -3.084 204 HG LEU 27 HG LEU 27 12.771 -0.983 -2.771 205 1HD1 LEU 27 1HD1 LEU 27 12.305 -3.328 -2.305 206 2HD1 LEU 27 2HD1 LEU 27 13.913 -3.509 -1.600 207 3HD1 LEU 27 3HD1 LEU 27 13.739 -3.140 -3.317 208 1HD2 LEU 27 1HD2 LEU 27 13.287 -1.706 0.109 209 2HD2 LEU 27 2HD2 LEU 27 11.706 -1.587 -0.662 210 3HD2 LEU 27 3HD2 LEU 27 12.709 -0.148 -0.483 211 H LYS 28 H LYS 28 16.671 -3.339 -2.788 212 HA LYS 28 HA LYS 28 19.359 -2.180 -2.942 213 1HB LYS 28 2HB LYS 28 19.128 -4.617 -2.491 214 2HB LYS 28 1HB LYS 28 18.319 -4.802 -4.041 215 1HG LYS 28 2HG LYS 28 20.365 -3.975 -5.159 216 2HG LYS 28 1HG LYS 28 21.166 -3.935 -3.588 217 1HD LYS 28 2HD LYS 28 20.730 -6.353 -3.344 218 2HD LYS 28 1HD LYS 28 20.021 -6.364 -4.960 219 1HE LYS 28 2HE LYS 28 22.160 -5.591 -5.884 220 2HE LYS 28 1HE LYS 28 22.861 -5.624 -4.267 221 1HZ LYS 28 1HZ LYS 28 22.377 -8.019 -4.188 222 2HZ LYS 28 2HZ LYS 28 23.450 -7.612 -5.437 223 3HZ LYS 28 3HZ LYS 28 21.826 -7.952 -5.793 224 H GLY 29 H GLY 29 20.264 -1.556 -4.909 225 1HA GLY 29 2HA GLY 29 19.938 -1.719 -7.414 226 2HA GLY 29 1HA GLY 29 18.306 -1.152 -7.084 227 H SER 30 H SER 30 18.119 0.943 -5.984 228 HA SER 30 HA SER 30 20.285 2.753 -6.806 229 1HB SER 30 2HB SER 30 17.370 3.420 -6.322 230 2HB SER 30 1HB SER 30 18.603 4.499 -6.978 231 HG SER 30 HG SER 30 18.442 2.170 -8.376 232 H SER 31 H SER 31 19.801 1.142 -4.263 233 HA SER 31 HA SER 31 19.972 1.338 -2.009 234 1HB SER 31 2HB SER 31 21.106 4.061 -2.706 235 2HB SER 31 1HB SER 31 21.283 3.242 -1.152 236 HG SER 31 HG SER 31 22.256 1.477 -2.460 237 H THR 32 H THR 32 17.483 1.891 -3.081 238 HA THR 32 HA THR 32 16.418 4.358 -2.111 239 HB THR 32 HB THR 32 14.874 1.910 -2.971 240 HG1 THR 32 1HG THR 32 16.045 3.999 -4.535 241 1HG2 THR 32 1HG2 THR 32 13.197 3.566 -3.671 242 2HG2 THR 32 2HG2 THR 32 14.227 4.864 -3.066 243 3HG2 THR 32 3HG2 THR 32 13.538 3.690 -1.945 244 H VAL 33 H VAL 33 15.853 4.765 -0.077 245 HA VAL 33 HA VAL 33 15.131 2.478 1.642 246 HB VAL 33 HB VAL 33 16.258 5.152 2.495 247 1HG1 VAL 33 1HG1 VAL 33 14.771 4.253 4.177 248 2HG1 VAL 33 2HG1 VAL 33 16.444 4.098 4.717 249 3HG1 VAL 33 3HG1 VAL 33 15.583 2.689 4.097 250 1HG2 VAL 33 1HG2 VAL 33 17.539 2.425 2.356 251 2HG2 VAL 33 2HG2 VAL 33 18.248 3.829 3.156 252 3HG2 VAL 33 3HG2 VAL 33 17.972 3.854 1.414 253 H LEU 34 H LEU 34 12.984 2.363 1.718 254 HA LEU 34 HA LEU 34 11.346 4.744 1.674 255 1HB LEU 34 2HB LEU 34 10.727 1.813 1.845 256 2HB LEU 34 1HB LEU 34 9.488 3.027 2.100 257 HG LEU 34 HG LEU 34 10.299 3.933 -0.216 258 1HD1 LEU 34 1HD1 LEU 34 12.207 2.451 -0.456 259 2HD1 LEU 34 2HD1 LEU 34 11.023 2.158 -1.729 260 3HD1 LEU 34 3HD1 LEU 34 11.145 1.046 -0.366 261 1HD2 LEU 34 1HD2 LEU 34 8.079 3.111 0.279 262 2HD2 LEU 34 2HD2 LEU 34 8.631 1.446 0.087 263 3HD2 LEU 34 3HD2 LEU 34 8.616 2.538 -1.300 264 H LYS 35 H LYS 35 10.029 5.441 3.353 265 HA LYS 35 HA LYS 35 11.103 4.698 5.989 266 1HB LYS 35 2HB LYS 35 10.177 7.313 4.859 267 2HB LYS 35 1HB LYS 35 10.219 7.055 6.592 268 1HG LYS 35 2HG LYS 35 12.617 6.613 4.841 269 2HG LYS 35 1HG LYS 35 12.238 8.179 5.565 270 1HD LYS 35 2HD LYS 35 12.703 5.589 7.046 271 2HD LYS 35 1HD LYS 35 13.837 6.939 6.933 272 1HE LYS 35 2HE LYS 35 12.292 8.375 8.128 273 2HE LYS 35 1HE LYS 35 11.081 7.093 8.157 274 1HZ LYS 35 1HZ LYS 35 12.466 5.790 9.572 275 2HZ LYS 35 2HZ LYS 35 12.324 7.335 10.256 276 3HZ LYS 35 3HZ LYS 35 13.748 6.895 9.447 277 H ARG 36 H ARG 36 9.729 4.837 7.788 278 HA ARG 36 HA ARG 36 7.216 3.623 7.531 279 1HB ARG 36 2HB ARG 36 8.710 3.644 9.555 280 2HB ARG 36 1HB ARG 36 8.199 5.298 9.843 281 1HG ARG 36 2HG ARG 36 5.935 4.600 10.204 282 2HG ARG 36 1HG ARG 36 6.334 2.940 9.744 283 1HD ARG 36 2HD ARG 36 7.927 2.850 11.611 284 2HD ARG 36 1HD ARG 36 7.413 4.459 12.108 285 HE ARG 36 HE ARG 36 5.631 2.107 12.073 286 1HH1 ARG 36 1HH1 ARG 36 6.746 5.090 13.536 287 2HH1 ARG 36 2HH1 ARG 36 5.685 4.960 14.906 288 1HH2 ARG 36 1HH2 ARG 36 4.251 1.934 13.898 289 2HH2 ARG 36 2HH2 ARG 36 4.271 3.187 15.103 290 H GLY 37 H GLY 37 5.180 4.417 7.354 291 1HA GLY 37 2HA GLY 37 3.506 6.080 7.573 292 2HA GLY 37 1HA GLY 37 4.766 7.301 7.656 293 H THR 38 H THR 38 5.864 5.614 5.188 294 HA THR 38 HA THR 38 5.048 7.369 3.165 295 HB THR 38 HB THR 38 6.107 4.539 2.895 296 HG1 THR 38 1HG THR 38 7.682 5.728 3.851 297 1HG2 THR 38 1HG2 THR 38 5.977 6.762 0.847 298 2HG2 THR 38 2HG2 THR 38 5.029 5.274 0.827 299 3HG2 THR 38 3HG2 THR 38 6.781 5.207 0.629 300 H MET 39 H MET 39 3.227 7.488 1.988 301 HA MET 39 HA MET 39 1.249 5.382 2.417 302 1HB MET 39 2HB MET 39 0.366 7.509 2.988 303 2HB MET 39 1HB MET 39 0.980 8.242 1.510 304 1HG MET 39 2HG MET 39 -0.612 7.097 0.176 305 2HG MET 39 1HG MET 39 -1.093 6.067 1.521 306 1HE MET 39 1HE MET 39 -2.742 6.711 3.372 307 2HE MET 39 2HE MET 39 -3.163 8.375 3.780 308 3HE MET 39 3HE MET 39 -1.497 7.820 3.947 309 H ILE 40 H ILE 40 0.823 3.985 0.948 310 HA ILE 40 HA ILE 40 1.329 4.675 -1.876 311 HB ILE 40 HB ILE 40 1.276 1.908 -0.645 312 1HG1 ILE 40 2HG1 ILE 40 3.590 3.569 -1.671 313 2HG1 ILE 40 1HG1 ILE 40 3.283 3.152 0.010 314 1HG2 ILE 40 1HG2 ILE 40 0.475 1.926 -2.948 315 2HG2 ILE 40 2HG2 ILE 40 2.056 1.151 -2.843 316 3HG2 ILE 40 3HG2 ILE 40 1.920 2.799 -3.457 317 1HD1 ILE 40 1HD1 ILE 40 3.977 1.239 -2.207 318 2HD1 ILE 40 2HD1 ILE 40 3.618 0.784 -0.541 319 3HD1 ILE 40 3HD1 ILE 40 5.036 1.769 -0.899 320 H ARG 41 H ARG 41 -0.644 5.509 -2.392 321 HA ARG 41 HA ARG 41 -2.970 3.806 -1.838 322 1HB ARG 41 2HB ARG 41 -4.325 5.918 -2.116 323 2HB ARG 41 1HB ARG 41 -3.317 5.829 -0.684 324 1HG ARG 41 2HG ARG 41 -3.022 8.000 -1.409 325 2HG ARG 41 1HG ARG 41 -1.608 7.172 -2.061 326 1HD ARG 41 2HD ARG 41 -2.612 7.049 -4.235 327 2HD ARG 41 1HD ARG 41 -4.145 7.665 -3.614 328 HE ARG 41 HE ARG 41 -1.726 9.332 -3.489 329 1HH1 ARG 41 1HH1 ARG 41 -4.982 8.770 -4.644 330 2HH1 ARG 41 2HH1 ARG 41 -5.172 10.386 -5.264 331 1HH2 ARG 41 1HH2 ARG 41 -1.969 11.444 -4.300 332 2HH2 ARG 41 2HH2 ARG 41 -3.447 11.893 -5.102 333 H GLY 42 H GLY 42 -4.524 3.489 -3.436 334 1HA GLY 42 2HA GLY 42 -5.294 3.465 -5.662 335 2HA GLY 42 1HA GLY 42 -3.806 4.266 -6.160 336 H ILE 43 H ILE 43 -4.159 1.405 -4.130 337 HA ILE 43 HA ILE 43 -2.289 0.016 -5.866 338 HB ILE 43 HB ILE 43 -2.013 -1.595 -4.109 339 1HG1 ILE 43 2HG1 ILE 43 -3.340 -0.965 -1.871 340 2HG1 ILE 43 1HG1 ILE 43 -4.541 -0.426 -3.039 341 1HG2 ILE 43 1HG2 ILE 43 -0.873 0.583 -3.894 342 2HG2 ILE 43 2HG2 ILE 43 -1.158 -0.204 -2.343 343 3HG2 ILE 43 3HG2 ILE 43 -2.184 1.137 -2.855 344 1HD1 ILE 43 1HD1 ILE 43 -4.534 -2.680 -4.030 345 2HD1 ILE 43 2HD1 ILE 43 -5.013 -2.677 -2.334 346 3HD1 ILE 43 3HD1 ILE 43 -3.391 -3.195 -2.791 347 H ARG 44 H ARG 44 -2.703 -2.321 -6.259 348 HA ARG 44 HA ARG 44 -5.536 -2.993 -6.543 349 1HB ARG 44 2HB ARG 44 -4.994 -3.883 -8.853 350 2HB ARG 44 1HB ARG 44 -5.050 -2.131 -8.701 351 1HG ARG 44 2HG ARG 44 -2.668 -1.989 -8.673 352 2HG ARG 44 1HG ARG 44 -2.515 -3.745 -8.596 353 1HD ARG 44 2HD ARG 44 -2.089 -2.910 -10.850 354 2HD ARG 44 1HD ARG 44 -3.514 -3.945 -10.799 355 HE ARG 44 HE ARG 44 -4.868 -1.921 -10.893 356 1HH1 ARG 44 1HH1 ARG 44 -1.479 -1.618 -11.761 357 2HH1 ARG 44 2HH1 ARG 44 -1.752 -0.253 -12.805 358 1HH2 ARG 44 1HH2 ARG 44 -5.217 -0.118 -12.244 359 2HH2 ARG 44 2HH2 ARG 44 -3.865 0.600 -13.084 360 H LEU 45 H LEU 45 -5.879 -5.299 -6.889 361 HA LEU 45 HA LEU 45 -3.931 -6.865 -5.421 362 1HB LEU 45 2HB LEU 45 -6.515 -7.798 -6.672 363 2HB LEU 45 1HB LEU 45 -5.573 -8.633 -5.454 364 HG LEU 45 HG LEU 45 -7.165 -6.106 -5.094 365 1HD1 LEU 45 1HD1 LEU 45 -8.443 -7.456 -3.509 366 2HD1 LEU 45 2HD1 LEU 45 -7.456 -8.858 -3.918 367 3HD1 LEU 45 3HD1 LEU 45 -8.499 -8.128 -5.139 368 1HD2 LEU 45 1HD2 LEU 45 -6.490 -6.190 -2.749 369 2HD2 LEU 45 2HD2 LEU 45 -5.113 -5.929 -3.821 370 3HD2 LEU 45 3HD2 LEU 45 -5.393 -7.522 -3.119 371 H THR 46 H THR 46 -2.505 -8.224 -6.315 372 HA THR 46 HA THR 46 -2.481 -8.442 -9.224 373 HB THR 46 HB THR 46 -0.215 -9.340 -8.970 374 HG1 THR 46 1HG THR 46 -0.588 -8.962 -6.156 375 1HG2 THR 46 1HG2 THR 46 0.881 -7.346 -8.067 376 2HG2 THR 46 2HG2 THR 46 -0.636 -6.843 -7.324 377 3HG2 THR 46 3HG2 THR 46 -0.495 -6.910 -9.080 378 H ASP 47 H ASP 47 -1.292 -10.817 -9.700 379 HA ASP 47 HA ASP 47 -3.333 -12.722 -8.940 380 1HB ASP 47 2HB ASP 47 -0.889 -12.992 -10.705 381 2HB ASP 47 1HB ASP 47 -2.045 -14.291 -10.416 382 H SER 48 H SER 48 -0.854 -11.505 -7.370 383 HA SER 48 HA SER 48 -0.141 -13.963 -5.957 384 1HB SER 48 2HB SER 48 0.955 -11.145 -5.788 385 2HB SER 48 1HB SER 48 1.561 -12.514 -4.877 386 HG SER 48 HG SER 48 2.864 -12.388 -6.625 387 H GLU 49 H GLU 49 -0.655 -14.186 -3.764 388 HA GLU 49 HA GLU 49 -2.885 -12.541 -2.865 389 1HB GLU 49 2HB GLU 49 -1.651 -14.767 -1.264 390 2HB GLU 49 1HB GLU 49 -3.304 -14.176 -1.235 391 1HG GLU 49 2HG GLU 49 -3.511 -15.089 -3.592 392 2HG GLU 49 1HG GLU 49 -1.980 -15.903 -3.295 393 H ASP 50 H ASP 50 0.479 -12.953 -2.329 394 HA ASP 50 HA ASP 50 0.417 -11.545 0.233 395 1HB ASP 50 2HB ASP 50 2.665 -12.944 -1.229 396 2HB ASP 50 1HB ASP 50 2.855 -12.111 0.309 397 H GLU 51 H GLU 51 0.623 -10.773 -2.972 398 HA GLU 51 HA GLU 51 2.220 -8.372 -2.407 399 1HB GLU 51 2HB GLU 51 2.364 -10.193 -4.783 400 2HB GLU 51 1HB GLU 51 2.841 -8.518 -4.913 401 1HG GLU 51 2HG GLU 51 4.835 -9.639 -4.550 402 2HG GLU 51 1HG GLU 51 4.422 -8.993 -2.966 403 H ILE 52 H ILE 52 1.604 -6.506 -3.360 404 HA ILE 52 HA ILE 52 -0.728 -6.537 -5.137 405 HB ILE 52 HB ILE 52 -1.425 -4.346 -4.094 406 1HG1 ILE 52 2HG1 ILE 52 -0.683 -4.394 -1.524 407 2HG1 ILE 52 1HG1 ILE 52 0.763 -5.106 -2.226 408 1HG2 ILE 52 1HG2 ILE 52 -2.656 -6.389 -3.705 409 2HG2 ILE 52 2HG2 ILE 52 -2.642 -5.383 -2.256 410 3HG2 ILE 52 3HG2 ILE 52 -1.589 -6.794 -2.358 411 1HD1 ILE 52 1HD1 ILE 52 1.006 -3.147 -3.677 412 2HD1 ILE 52 2HD1 ILE 52 1.026 -2.719 -1.966 413 3HD1 ILE 52 3HD1 ILE 52 -0.423 -2.430 -2.931 414 H GLU 53 H GLU 53 -0.882 -4.397 -6.333 415 HA GLU 53 HA GLU 53 1.809 -3.280 -6.768 416 1HB GLU 53 2HB GLU 53 0.993 -4.625 -8.668 417 2HB GLU 53 1HB GLU 53 -0.429 -3.612 -8.756 418 1HG GLU 53 2HG GLU 53 1.039 -1.667 -9.212 419 2HG GLU 53 1HG GLU 53 2.408 -2.778 -9.272 420 H GLY 54 H GLY 54 1.973 -1.097 -6.512 421 1HA GLY 54 2HA GLY 54 -0.531 0.435 -6.418 422 2HA GLY 54 1HA GLY 54 0.495 0.418 -4.995 423 H ARG 55 H ARG 55 0.401 2.753 -5.378 424 HA ARG 55 HA ARG 55 2.749 3.594 -6.841 425 1HB ARG 55 2HB ARG 55 1.521 5.412 -8.009 426 2HB ARG 55 1HB ARG 55 1.096 3.801 -8.570 427 1HG ARG 55 2HG ARG 55 -0.910 3.879 -7.139 428 2HG ARG 55 1HG ARG 55 -0.506 5.542 -6.721 429 1HD ARG 55 2HD ARG 55 -0.768 6.258 -8.976 430 2HD ARG 55 1HD ARG 55 -0.900 4.597 -9.550 431 HE ARG 55 HE ARG 55 -3.052 4.470 -8.438 432 1HH1 ARG 55 1HH1 ARG 55 -1.687 7.678 -8.829 433 2HH1 ARG 55 2HH1 ARG 55 -3.231 8.472 -8.774 434 1HH2 ARG 55 1HH2 ARG 55 -5.078 5.512 -8.377 435 2HH2 ARG 55 2HH2 ARG 55 -5.161 7.249 -8.512 436 H THR 56 H THR 56 3.667 5.356 -5.975 437 HA THR 56 HA THR 56 2.229 6.783 -3.850 438 HB THR 56 HB THR 56 3.677 5.119 -2.765 439 HG1 THR 56 1HG THR 56 3.598 6.843 -1.467 440 1HG2 THR 56 1HG2 THR 56 6.112 5.241 -2.962 441 2HG2 THR 56 2HG2 THR 56 5.953 6.506 -4.181 442 3HG2 THR 56 3HG2 THR 56 5.361 4.879 -4.517 443 H ASP 57 H ASP 57 4.064 8.645 -3.152 444 HA ASP 57 HA ASP 57 3.855 10.484 -5.285 445 1HB ASP 57 2HB ASP 57 5.132 12.018 -3.852 446 2HB ASP 57 1HB ASP 57 3.867 11.201 -2.942 447 H LYS 58 H LYS 58 6.327 8.248 -4.406 448 HA LYS 58 HA LYS 58 8.238 9.524 -6.215 449 1HB LYS 58 2HB LYS 58 8.502 7.373 -4.129 450 2HB LYS 58 1HB LYS 58 9.771 7.675 -5.307 451 1HG LYS 58 2HG LYS 58 10.182 9.833 -4.475 452 2HG LYS 58 1HG LYS 58 8.677 9.852 -3.555 453 1HD LYS 58 2HD LYS 58 10.881 7.885 -2.995 454 2HD LYS 58 1HD LYS 58 10.827 9.481 -2.243 455 1HE LYS 58 2HE LYS 58 8.609 7.439 -2.095 456 2HE LYS 58 1HE LYS 58 9.833 7.674 -0.848 457 1HZ LYS 58 1HZ LYS 58 7.838 8.866 -0.270 458 2HZ LYS 58 2HZ LYS 58 7.836 9.692 -1.756 459 3HZ LYS 58 3HZ LYS 58 9.065 9.981 -0.623 460 H ILE 59 H ILE 59 7.427 6.113 -5.556 461 HA ILE 59 HA ILE 59 7.828 5.576 -8.411 462 HB ILE 59 HB ILE 59 7.614 3.552 -6.179 463 1HG1 ILE 59 2HG1 ILE 59 9.530 5.036 -5.775 464 2HG1 ILE 59 1HG1 ILE 59 10.062 3.420 -6.227 465 1HG2 ILE 59 1HG2 ILE 59 8.705 3.329 -8.981 466 2HG2 ILE 59 2HG2 ILE 59 7.157 2.698 -8.421 467 3HG2 ILE 59 3HG2 ILE 59 8.662 2.040 -7.779 468 1HD1 ILE 59 1HD1 ILE 59 9.987 5.832 -8.024 469 2HD1 ILE 59 2HD1 ILE 59 10.495 4.212 -8.501 470 3HD1 ILE 59 3HD1 ILE 59 11.421 5.108 -7.297 471 H LYS 60 H LYS 60 6.139 5.147 -9.679 472 HA LYS 60 HA LYS 60 3.637 4.271 -8.396 473 1HB LYS 60 2HB LYS 60 2.483 5.198 -10.401 474 2HB LYS 60 1HB LYS 60 3.304 6.412 -9.432 475 1HG LYS 60 2HG LYS 60 5.088 6.570 -11.012 476 2HG LYS 60 1HG LYS 60 4.469 5.184 -11.912 477 1HD LYS 60 2HD LYS 60 2.895 7.723 -11.527 478 2HD LYS 60 1HD LYS 60 3.975 7.464 -12.899 479 1HE LYS 60 2HE LYS 60 1.689 5.635 -12.178 480 2HE LYS 60 1HE LYS 60 1.569 6.946 -13.351 481 1HZ LYS 60 1HZ LYS 60 2.001 4.794 -14.404 482 2HZ LYS 60 2HZ LYS 60 3.452 4.651 -13.541 483 3HZ LYS 60 3HZ LYS 60 3.267 5.888 -14.682 484 H GLY 61 H GLY 61 2.657 2.449 -9.104 485 1HA GLY 61 2HA GLY 61 2.146 0.678 -10.518 486 2HA GLY 61 1HA GLY 61 3.313 1.302 -11.676 487 H LEU 62 H LEU 62 4.094 0.678 -8.319 488 HA LEU 62 HA LEU 62 5.949 -1.383 -9.255 489 1HB LEU 62 2HB LEU 62 7.344 -0.937 -7.428 490 2HB LEU 62 1HB LEU 62 6.825 0.636 -7.991 491 HG LEU 62 HG LEU 62 5.655 -0.788 -5.597 492 1HD1 LEU 62 1HD1 LEU 62 7.683 1.443 -5.731 493 2HD1 LEU 62 2HD1 LEU 62 8.005 -0.222 -5.243 494 3HD1 LEU 62 3HD1 LEU 62 6.948 0.797 -4.264 495 1HD2 LEU 62 1HD2 LEU 62 5.334 2.028 -6.633 496 2HD2 LEU 62 2HD2 LEU 62 4.783 1.470 -5.053 497 3HD2 LEU 62 3HD2 LEU 62 4.086 0.786 -6.521 498 H VAL 63 H VAL 63 5.965 -3.404 -8.411 499 HA VAL 63 HA VAL 63 3.531 -4.168 -6.982 500 HB VAL 63 HB VAL 63 5.613 -5.944 -8.265 501 1HG1 VAL 63 1HG1 VAL 63 3.885 -7.686 -8.109 502 2HG1 VAL 63 2HG1 VAL 63 2.843 -6.557 -7.242 503 3HG1 VAL 63 3HG1 VAL 63 4.364 -7.082 -6.523 504 1HG2 VAL 63 1HG2 VAL 63 2.950 -5.015 -9.327 505 2HG2 VAL 63 2HG2 VAL 63 3.970 -6.244 -10.074 506 3HG2 VAL 63 3HG2 VAL 63 4.540 -4.581 -9.953 507 H LEU 64 H LEU 64 3.605 -4.400 -4.867 508 HA LEU 64 HA LEU 64 6.150 -5.235 -3.646 509 1HB LEU 64 2HB LEU 64 4.409 -2.931 -2.861 510 2HB LEU 64 1HB LEU 64 5.383 -3.754 -1.662 511 HG LEU 64 HG LEU 64 6.534 -2.545 -4.172 512 1HD1 LEU 64 1HD1 LEU 64 6.383 -1.388 -1.390 513 2HD1 LEU 64 2HD1 LEU 64 5.528 -0.793 -2.816 514 3HD1 LEU 64 3HD1 LEU 64 7.288 -0.709 -2.744 515 1HD2 LEU 64 1HD2 LEU 64 8.638 -2.723 -2.835 516 2HD2 LEU 64 2HD2 LEU 64 7.918 -4.276 -3.257 517 3HD2 LEU 64 3HD2 LEU 64 7.732 -3.636 -1.623 518 H ARG 65 H ARG 65 6.070 -6.554 -1.963 519 HA ARG 65 HA ARG 65 3.782 -8.111 -1.440 520 1HB ARG 65 2HB ARG 65 5.224 -8.789 0.613 521 2HB ARG 65 1HB ARG 65 5.779 -9.207 -0.999 522 1HG ARG 65 2HG ARG 65 7.332 -7.406 -1.011 523 2HG ARG 65 1HG ARG 65 6.687 -6.754 0.492 524 1HD ARG 65 2HD ARG 65 7.384 -8.842 1.631 525 2HD ARG 65 1HD ARG 65 8.097 -9.401 0.118 526 HE ARG 65 HE ARG 65 9.386 -7.107 0.429 527 1HH1 ARG 65 1HH1 ARG 65 8.638 -9.602 2.773 528 2HH1 ARG 65 2HH1 ARG 65 10.046 -9.291 3.749 529 1HH2 ARG 65 1HH2 ARG 65 11.232 -6.700 1.685 530 2HH2 ARG 65 2HH2 ARG 65 11.532 -7.631 3.123 531 H THR 66 H THR 66 2.271 -7.991 0.116 532 HA THR 66 HA THR 66 2.026 -5.423 1.462 533 HB THR 66 HB THR 66 0.127 -6.274 0.167 534 HG1 THR 66 1HG THR 66 -0.910 -6.536 2.722 535 1HG2 THR 66 1HG2 THR 66 0.094 -8.543 2.154 536 2HG2 THR 66 2HG2 THR 66 0.475 -8.660 0.435 537 3HG2 THR 66 3HG2 THR 66 -1.155 -8.221 0.950 538 H GLU 67 H GLU 67 4.016 -7.320 2.421 539 HA GLU 67 HA GLU 67 2.954 -8.575 4.805 540 1HB GLU 67 2HB GLU 67 5.835 -8.136 3.997 541 2HB GLU 67 1HB GLU 67 5.243 -9.267 5.208 542 1HG GLU 67 2HG GLU 67 3.978 -10.388 3.376 543 2HG GLU 67 1HG GLU 67 4.858 -9.381 2.240 544 H PHE 68 H PHE 68 4.544 -5.717 3.842 545 HA PHE 68 HA PHE 68 4.813 -4.839 6.638 546 1HB PHE 68 2HB PHE 68 6.710 -3.453 5.875 547 2HB PHE 68 1HB PHE 68 6.960 -5.176 5.578 548 HD1 PHE 68 1HD PHE 68 7.207 -6.039 3.394 549 HD2 PHE 68 2HD PHE 68 6.240 -1.942 3.986 550 HE1 PHE 68 1HE PHE 68 7.723 -5.582 1.033 551 HE2 PHE 68 2HE PHE 68 6.747 -1.477 1.623 552 HZ PHE 68 HZ PHE 68 7.492 -3.299 0.143 553 H LEU 69 H LEU 69 2.611 -4.518 4.508 554 HA LEU 69 HA LEU 69 2.526 -1.576 4.548 555 1HB LEU 69 2HB LEU 69 0.987 -3.435 2.738 556 2HB LEU 69 1HB LEU 69 0.958 -1.690 2.691 557 HG LEU 69 HG LEU 69 3.418 -3.342 2.123 558 1HD1 LEU 69 1HD1 LEU 69 1.496 -2.034 0.205 559 2HD1 LEU 69 2HD1 LEU 69 1.697 -3.769 0.450 560 3HD1 LEU 69 3HD1 LEU 69 3.017 -2.815 -0.226 561 1HD2 LEU 69 1HD2 LEU 69 2.793 -0.415 1.752 562 2HD2 LEU 69 2HD2 LEU 69 4.235 -1.224 1.142 563 3HD2 LEU 69 3HD2 LEU 69 3.954 -1.114 2.880 564 H LYS 70 H LYS 70 0.708 -0.562 5.218 565 HA LYS 70 HA LYS 70 -1.188 -2.218 6.746 566 1HB LYS 70 2HB LYS 70 0.614 -0.419 7.762 567 2HB LYS 70 1HB LYS 70 -0.818 0.584 7.571 568 1HG LYS 70 2HG LYS 70 -0.779 -2.050 9.021 569 2HG LYS 70 1HG LYS 70 -0.579 -0.483 9.809 570 1HD LYS 70 2HD LYS 70 -2.944 -0.922 8.051 571 2HD LYS 70 1HD LYS 70 -2.938 -1.633 9.664 572 1HE LYS 70 2HE LYS 70 -2.562 0.540 10.654 573 2HE LYS 70 1HE LYS 70 -2.454 1.276 9.055 574 1HZ LYS 70 1HZ LYS 70 -4.867 -0.085 10.134 575 2HZ LYS 70 2HZ LYS 70 -4.745 0.738 8.654 576 3HZ LYS 70 3HZ LYS 70 -4.627 1.596 10.115 577 H LYS 71 H LYS 71 -3.278 -1.963 6.211 578 HA LYS 71 HA LYS 71 -4.003 -0.314 4.032 579 1HB LYS 71 2HB LYS 71 -5.237 -2.356 4.589 580 2HB LYS 71 1HB LYS 71 -5.779 -1.628 6.093 581 1HG LYS 71 2HG LYS 71 -7.031 0.037 4.874 582 2HG LYS 71 1HG LYS 71 -6.429 -0.594 3.345 583 1HD LYS 71 2HD LYS 71 -7.641 -2.593 3.564 584 2HD LYS 71 1HD LYS 71 -7.948 -2.313 5.279 585 1HE LYS 71 2HE LYS 71 -9.922 -1.927 3.815 586 2HE LYS 71 1HE LYS 71 -9.457 -0.534 4.790 587 1HZ LYS 71 1HZ LYS 71 -8.497 -0.818 2.010 588 2HZ LYS 71 2HZ LYS 71 -8.641 0.581 2.957 589 3HZ LYS 71 3HZ LYS 71 -10.029 -0.166 2.345 590 H ALA 72 H ALA 72 -4.744 1.717 3.924 591 HA ALA 72 HA ALA 72 -4.069 3.339 6.205 592 1HB ALA 72 1HB ALA 72 -3.354 3.961 3.951 593 2HB ALA 72 2HB ALA 72 -4.333 5.226 4.694 594 3HB ALA 72 3HB ALA 72 -5.041 4.165 3.474 595 H GLY 73 H GLY 73 -5.421 5.209 6.823 596 1HA GLY 73 2HA GLY 73 -7.757 6.101 6.710 597 2HA GLY 73 1HA GLY 73 -8.272 4.430 6.912 598 H SER 74 H SER 74 -6.047 3.912 8.775 599 HA SER 74 HA SER 74 -6.477 5.616 11.052 600 1HB SER 74 2HB SER 74 -7.391 2.726 11.160 601 2HB SER 74 1HB SER 74 -7.350 3.848 12.519 602 HG SER 74 HG SER 74 -8.709 5.064 10.645 Start of MODEL 20 1 1H MET 1 1HT MET 1 -12.518 -20.904 -4.358 2 2H MET 1 2HT MET 1 -11.955 -20.421 -2.834 3 3H MET 1 3HT MET 1 -11.844 -22.044 -3.297 4 HA MET 1 HA MET 1 -9.702 -20.975 -3.439 5 1HB MET 1 2HB MET 1 -10.947 -21.622 -6.123 6 2HB MET 1 1HB MET 1 -9.218 -21.470 -5.841 7 1HG MET 1 2HG MET 1 -11.039 -23.483 -4.546 8 2HG MET 1 1HG MET 1 -9.947 -23.798 -5.891 9 1HE MET 1 1HE MET 1 -7.325 -23.799 -5.712 10 2HE MET 1 2HE MET 1 -6.436 -23.360 -4.253 11 3HE MET 1 3HE MET 1 -7.365 -22.138 -5.122 12 H SER 2 H SER 2 -9.213 -18.895 -3.080 13 HA SER 2 HA SER 2 -9.747 -16.999 -5.262 14 1HB SER 2 2HB SER 2 -10.063 -16.378 -2.314 15 2HB SER 2 1HB SER 2 -10.319 -15.256 -3.652 16 HG SER 2 HG SER 2 -12.262 -16.236 -2.789 17 H ILE 3 H ILE 3 -8.469 -14.831 -4.535 18 HA ILE 3 HA ILE 3 -5.813 -15.626 -3.548 19 HB ILE 3 HB ILE 3 -4.816 -13.981 -5.129 20 1HG1 ILE 3 2HG1 ILE 3 -7.592 -13.966 -6.338 21 2HG1 ILE 3 1HG1 ILE 3 -6.793 -12.611 -5.553 22 1HG2 ILE 3 1HG2 ILE 3 -4.932 -15.414 -7.102 23 2HG2 ILE 3 2HG2 ILE 3 -6.342 -16.231 -6.428 24 3HG2 ILE 3 3HG2 ILE 3 -4.780 -16.362 -5.622 25 1HD1 ILE 3 1HD1 ILE 3 -5.894 -13.940 -8.099 26 2HD1 ILE 3 2HD1 ILE 3 -5.113 -12.568 -7.312 27 3HD1 ILE 3 3HD1 ILE 3 -6.739 -12.396 -7.971 28 H GLU 4 H GLU 4 -7.672 -14.669 -1.847 29 HA GLU 4 HA GLU 4 -8.048 -11.900 -1.737 30 1HB GLU 4 2HB GLU 4 -8.143 -13.973 0.450 31 2HB GLU 4 1HB GLU 4 -8.642 -12.300 0.657 32 1HG GLU 4 2HG GLU 4 -10.400 -12.527 -0.894 33 2HG GLU 4 1HG GLU 4 -9.803 -14.090 -1.442 34 H VAL 5 H VAL 5 -6.658 -10.397 -1.477 35 HA VAL 5 HA VAL 5 -4.143 -10.896 -0.076 36 HB VAL 5 HB VAL 5 -4.871 -8.362 -1.525 37 1HG1 VAL 5 1HG1 VAL 5 -2.246 -9.701 -0.906 38 2HG1 VAL 5 2HG1 VAL 5 -2.904 -8.259 -0.133 39 3HG1 VAL 5 3HG1 VAL 5 -2.435 -8.213 -1.833 40 1HG2 VAL 5 1HG2 VAL 5 -3.870 -9.253 -3.557 41 2HG2 VAL 5 2HG2 VAL 5 -5.270 -10.214 -3.078 42 3HG2 VAL 5 3HG2 VAL 5 -3.641 -10.819 -2.774 43 H ARG 6 H ARG 6 -3.801 -10.145 1.919 44 HA ARG 6 HA ARG 6 -5.444 -7.891 2.859 45 1HB ARG 6 2HB ARG 6 -4.588 -10.162 4.660 46 2HB ARG 6 1HB ARG 6 -5.695 -8.851 5.032 47 1HG ARG 6 2HG ARG 6 -7.251 -10.436 4.650 48 2HG ARG 6 1HG ARG 6 -7.000 -9.963 2.971 49 1HD ARG 6 2HD ARG 6 -5.532 -11.781 2.581 50 2HD ARG 6 1HD ARG 6 -5.434 -12.157 4.300 51 HE ARG 6 HE ARG 6 -8.112 -12.349 3.421 52 1HH1 ARG 6 1HH1 ARG 6 -5.043 -14.001 3.186 53 2HH1 ARG 6 2HH1 ARG 6 -5.752 -15.577 3.008 54 1HH2 ARG 6 1HH2 ARG 6 -9.063 -14.408 3.185 55 2HH2 ARG 6 2HH2 ARG 6 -8.046 -15.800 2.967 56 H ASP 7 H ASP 7 -4.431 -6.483 4.315 57 HA ASP 7 HA ASP 7 -1.607 -6.170 3.886 58 1HB ASP 7 2HB ASP 7 -1.837 -4.085 4.949 59 2HB ASP 7 1HB ASP 7 -3.397 -4.327 4.175 60 H CYS 8 H CYS 8 -0.553 -5.262 6.196 61 HA CYS 8 HA CYS 8 0.157 -7.628 7.545 62 1HB CYS 8 2HB CYS 8 1.378 -6.137 9.090 63 2HB CYS 8 1HB CYS 8 1.678 -5.737 7.403 64 HG CYS 8 HG CYS 8 0.078 -3.496 7.355 65 H ASN 9 H ASN 9 -2.336 -5.239 8.157 66 HA ASN 9 HA ASN 9 -2.811 -6.047 10.869 67 1HB ASN 9 2HB ASN 9 -4.121 -4.213 8.919 68 2HB ASN 9 1HB ASN 9 -5.072 -4.791 10.272 69 1HD2 ASN 9 1HD2 ASN 9 -1.620 -4.081 10.274 70 2HD2 ASN 9 2HD2 ASN 9 -1.710 -2.783 11.411 71 H GLY 10 H GLY 10 -3.864 -7.058 7.732 72 1HA GLY 10 2HA GLY 10 -4.733 -9.278 7.439 73 2HA GLY 10 1HA GLY 10 -5.494 -9.148 9.019 74 H ALA 11 H ALA 11 -5.670 -6.388 6.998 75 HA ALA 11 HA ALA 11 -8.539 -6.859 6.642 76 1HB ALA 11 1HB ALA 11 -6.920 -4.340 6.266 77 2HB ALA 11 2HB ALA 11 -7.870 -4.756 7.692 78 3HB ALA 11 3HB ALA 11 -8.674 -4.471 6.148 79 H LEU 12 H LEU 12 -9.478 -7.031 4.682 80 HA LEU 12 HA LEU 12 -7.874 -7.911 2.521 81 1HB LEU 12 2HB LEU 12 -10.809 -7.359 2.834 82 2HB LEU 12 1HB LEU 12 -10.127 -7.856 1.296 83 HG LEU 12 HG LEU 12 -9.655 -9.503 3.766 84 1HD1 LEU 12 1HD1 LEU 12 -11.627 -10.835 3.171 85 2HD1 LEU 12 2HD1 LEU 12 -12.031 -9.676 1.904 86 3HD1 LEU 12 3HD1 LEU 12 -12.082 -9.185 3.597 87 1HD2 LEU 12 1HD2 LEU 12 -8.330 -9.946 1.750 88 2HD2 LEU 12 2HD2 LEU 12 -9.817 -10.165 0.825 89 3HD2 LEU 12 3HD2 LEU 12 -9.414 -11.284 2.127 90 H LEU 13 H LEU 13 -7.273 -6.972 0.670 91 HA LEU 13 HA LEU 13 -7.798 -4.091 0.384 92 1HB LEU 13 2HB LEU 13 -5.535 -5.807 -0.643 93 2HB LEU 13 1HB LEU 13 -5.753 -4.118 -1.060 94 HG LEU 13 HG LEU 13 -5.342 -5.110 1.761 95 1HD1 LEU 13 1HD1 LEU 13 -3.355 -3.905 -0.160 96 2HD1 LEU 13 2HD1 LEU 13 -3.373 -5.579 0.394 97 3HD1 LEU 13 3HD1 LEU 13 -3.059 -4.275 1.539 98 1HD2 LEU 13 1HD2 LEU 13 -4.896 -2.761 2.239 99 2HD2 LEU 13 2HD2 LEU 13 -6.515 -2.971 1.573 100 3HD2 LEU 13 3HD2 LEU 13 -5.216 -2.349 0.553 101 H ALA 14 H ALA 14 -7.707 -3.362 -1.971 102 HA ALA 14 HA ALA 14 -8.517 -5.289 -3.957 103 1HB ALA 14 1HB ALA 14 -10.690 -4.344 -4.419 104 2HB ALA 14 2HB ALA 14 -10.482 -3.151 -3.137 105 3HB ALA 14 3HB ALA 14 -10.626 -4.862 -2.733 106 H ASP 15 H ASP 15 -9.114 -4.051 -6.057 107 HA ASP 15 HA ASP 15 -7.045 -2.198 -6.658 108 1HB ASP 15 2HB ASP 15 -7.938 -3.610 -8.415 109 2HB ASP 15 1HB ASP 15 -9.546 -2.925 -8.201 110 H GLY 16 H GLY 16 -6.962 -0.173 -6.018 111 1HA GLY 16 2HA GLY 16 -7.879 2.071 -6.196 112 2HA GLY 16 1HA GLY 16 -9.467 1.383 -5.881 113 H ASP 17 H ASP 17 -7.317 -0.198 -3.949 114 HA ASP 17 HA ASP 17 -8.270 1.206 -1.600 115 1HB ASP 17 2HB ASP 17 -7.738 -1.414 -2.087 116 2HB ASP 17 1HB ASP 17 -6.247 -0.928 -1.290 117 H ASN 18 H ASN 18 -6.557 1.506 0.224 118 HA ASN 18 HA ASN 18 -4.040 2.500 -0.892 119 1HB ASN 18 2HB ASN 18 -4.221 4.493 0.611 120 2HB ASN 18 1HB ASN 18 -5.347 4.484 -0.737 121 1HD2 ASN 18 1HD2 ASN 18 -5.545 6.004 1.591 122 2HD2 ASN 18 2HD2 ASN 18 -6.971 5.537 2.443 123 H VAL 19 H VAL 19 -2.283 2.327 0.377 124 HA VAL 19 HA VAL 19 -2.641 1.314 3.110 125 HB VAL 19 HB VAL 19 -0.766 -0.280 2.777 126 1HG1 VAL 19 1HG1 VAL 19 -3.065 -1.076 2.675 127 2HG1 VAL 19 2HG1 VAL 19 -2.042 -1.974 1.551 128 3HG1 VAL 19 3HG1 VAL 19 -3.125 -0.718 0.949 129 1HG2 VAL 19 1HG2 VAL 19 -0.081 -0.890 0.511 130 2HG2 VAL 19 2HG2 VAL 19 0.292 0.798 0.860 131 3HG2 VAL 19 3HG2 VAL 19 -1.098 0.392 -0.145 132 H SER 20 H SER 20 -0.339 1.240 4.182 133 HA SER 20 HA SER 20 1.460 3.270 3.181 134 1HB SER 20 2HB SER 20 -0.098 3.586 5.731 135 2HB SER 20 1HB SER 20 1.433 4.423 5.476 136 HG SER 20 HG SER 20 -0.569 4.567 3.515 137 H LEU 21 H LEU 21 3.502 3.289 4.186 138 HA LEU 21 HA LEU 21 4.522 0.747 4.835 139 1HB LEU 21 2HB LEU 21 5.580 3.535 4.806 140 2HB LEU 21 1HB LEU 21 6.524 2.303 5.614 141 HG LEU 21 HG LEU 21 7.234 2.751 3.278 142 1HD1 LEU 21 1HD1 LEU 21 7.790 0.661 4.295 143 2HD1 LEU 21 2HD1 LEU 21 7.352 0.378 2.610 144 3HD1 LEU 21 3HD1 LEU 21 6.208 -0.008 3.898 145 1HD2 LEU 21 1HD2 LEU 21 5.888 1.900 1.433 146 2HD2 LEU 21 2HD2 LEU 21 5.042 3.188 2.292 147 3HD2 LEU 21 3HD2 LEU 21 4.584 1.505 2.553 148 H ILE 22 H ILE 22 4.699 -0.318 6.713 149 HA ILE 22 HA ILE 22 3.914 1.038 9.179 150 HB ILE 22 HB ILE 22 3.927 -1.165 10.223 151 1HG1 ILE 22 2HG1 ILE 22 4.818 -2.215 7.524 152 2HG1 ILE 22 1HG1 ILE 22 5.847 -2.097 8.947 153 1HG2 ILE 22 1HG2 ILE 22 2.124 -2.186 8.931 154 2HG2 ILE 22 2HG2 ILE 22 2.537 -1.171 7.549 155 3HG2 ILE 22 3HG2 ILE 22 1.931 -0.435 9.032 156 1HD1 ILE 22 1HD1 ILE 22 3.381 -3.800 8.687 157 2HD1 ILE 22 2HD1 ILE 22 4.413 -3.690 10.113 158 3HD1 ILE 22 3HD1 ILE 22 5.050 -4.363 8.612 159 H LYS 23 H LYS 23 6.709 0.348 7.508 160 HA LYS 23 HA LYS 23 8.394 1.216 9.667 161 1HB LYS 23 2HB LYS 23 9.968 -0.825 9.152 162 2HB LYS 23 1HB LYS 23 8.670 -0.990 10.327 163 1HG LYS 23 2HG LYS 23 7.463 -2.392 9.009 164 2HG LYS 23 1HG LYS 23 8.059 -1.681 7.513 165 1HD LYS 23 2HD LYS 23 8.902 -3.929 7.728 166 2HD LYS 23 1HD LYS 23 10.234 -2.788 7.885 167 1HE LYS 23 2HE LYS 23 8.826 -3.942 10.277 168 2HE LYS 23 1HE LYS 23 10.167 -4.769 9.489 169 1HZ LYS 23 1HZ LYS 23 11.424 -2.599 9.831 170 2HZ LYS 23 2HZ LYS 23 11.143 -3.559 11.202 171 3HZ LYS 23 3HZ LYS 23 10.191 -2.184 10.926 172 H ASP 24 H ASP 24 10.836 0.966 8.708 173 HA ASP 24 HA ASP 24 10.694 2.383 6.167 174 1HB ASP 24 2HB ASP 24 13.239 1.709 7.635 175 2HB ASP 24 1HB ASP 24 12.943 3.028 6.516 176 H LEU 25 H LEU 25 10.809 1.327 4.307 177 HA LEU 25 HA LEU 25 12.270 -1.231 4.244 178 1HB LEU 25 2HB LEU 25 9.702 -0.450 2.906 179 2HB LEU 25 1HB LEU 25 10.714 -1.704 2.224 180 HG LEU 25 HG LEU 25 8.992 -2.749 3.494 181 1HD1 LEU 25 1HD1 LEU 25 11.587 -2.817 5.019 182 2HD1 LEU 25 2HD1 LEU 25 11.128 -3.846 3.661 183 3HD1 LEU 25 3HD1 LEU 25 10.270 -3.977 5.199 184 1HD2 LEU 25 1HD2 LEU 25 8.290 -0.968 4.912 185 2HD2 LEU 25 2HD2 LEU 25 9.833 -0.971 5.765 186 3HD2 LEU 25 3HD2 LEU 25 8.737 -2.345 5.917 187 H LYS 26 H LYS 26 14.060 -1.054 3.154 188 HA LYS 26 HA LYS 26 14.403 0.972 1.128 189 1HB LYS 26 2HB LYS 26 16.224 0.466 2.669 190 2HB LYS 26 1HB LYS 26 16.228 -1.196 2.134 191 1HG LYS 26 2HG LYS 26 16.652 0.787 0.016 192 2HG LYS 26 1HG LYS 26 17.927 0.677 1.234 193 1HD LYS 26 2HD LYS 26 16.817 -1.630 -0.365 194 2HD LYS 26 1HD LYS 26 18.348 -0.811 -0.676 195 1HE LYS 26 2HE LYS 26 19.255 -1.562 1.403 196 2HE LYS 26 1HE LYS 26 17.690 -2.171 1.933 197 1HZ LYS 26 1HZ LYS 26 17.766 -3.818 0.168 198 2HZ LYS 26 2HZ LYS 26 19.127 -3.956 1.175 199 3HZ LYS 26 3HZ LYS 26 19.272 -3.230 -0.348 200 H LEU 27 H LEU 27 14.598 0.647 -1.023 201 HA LEU 27 HA LEU 27 12.940 -1.347 -2.129 202 1HB LEU 27 2HB LEU 27 13.291 0.969 -3.000 203 2HB LEU 27 1HB LEU 27 14.871 0.480 -3.562 204 HG LEU 27 HG LEU 27 12.432 -0.975 -4.530 205 1HD1 LEU 27 1HD1 LEU 27 12.261 0.600 -6.382 206 2HD1 LEU 27 2HD1 LEU 27 13.510 1.609 -5.653 207 3HD1 LEU 27 3HD1 LEU 27 11.958 1.404 -4.841 208 1HD2 LEU 27 1HD2 LEU 27 15.098 -0.331 -5.790 209 2HD2 LEU 27 2HD2 LEU 27 13.814 -1.300 -6.514 210 3HD2 LEU 27 3HD2 LEU 27 14.643 -1.875 -5.066 211 H LYS 28 H LYS 28 13.380 -3.070 -3.424 212 HA LYS 28 HA LYS 28 15.228 -4.906 -2.714 213 1HB LYS 28 2HB LYS 28 13.259 -5.244 -4.215 214 2HB LYS 28 1HB LYS 28 14.194 -4.555 -5.532 215 1HG LYS 28 2HG LYS 28 15.832 -6.378 -5.284 216 2HG LYS 28 1HG LYS 28 14.816 -7.086 -4.025 217 1HD LYS 28 2HD LYS 28 12.958 -7.205 -5.670 218 2HD LYS 28 1HD LYS 28 14.069 -6.634 -6.913 219 1HE LYS 28 2HE LYS 28 15.501 -8.598 -6.487 220 2HE LYS 28 1HE LYS 28 14.316 -9.179 -5.316 221 1HZ LYS 28 1HZ LYS 28 12.672 -9.073 -7.219 222 2HZ LYS 28 2HZ LYS 28 13.840 -10.299 -7.302 223 3HZ LYS 28 3HZ LYS 28 14.009 -8.904 -8.249 224 H GLY 29 H GLY 29 17.352 -5.085 -2.817 225 1HA GLY 29 2HA GLY 29 19.481 -5.003 -3.782 226 2HA GLY 29 1HA GLY 29 18.839 -3.984 -5.065 227 H SER 30 H SER 30 19.630 -2.001 -5.038 228 HA SER 30 HA SER 30 19.745 -0.525 -2.552 229 1HB SER 30 2HB SER 30 22.127 0.197 -3.021 230 2HB SER 30 1HB SER 30 21.939 -1.472 -2.480 231 HG SER 30 HG SER 30 22.286 -0.578 -5.158 232 H SER 31 H SER 31 18.573 1.193 -3.090 233 HA SER 31 HA SER 31 19.489 3.030 -5.052 234 1HB SER 31 2HB SER 31 18.309 1.324 -6.484 235 2HB SER 31 1HB SER 31 16.816 1.727 -5.637 236 HG SER 31 HG SER 31 18.380 3.331 -7.367 237 H THR 32 H THR 32 16.171 2.310 -4.009 238 HA THR 32 HA THR 32 16.067 4.953 -2.732 239 HB THR 32 HB THR 32 13.715 3.178 -3.393 240 HG1 THR 32 1HG THR 32 15.246 4.858 -5.054 241 1HG2 THR 32 1HG2 THR 32 13.284 5.028 -1.851 242 2HG2 THR 32 2HG2 THR 32 12.483 5.297 -3.399 243 3HG2 THR 32 3HG2 THR 32 13.969 6.164 -3.013 244 H VAL 33 H VAL 33 15.924 5.081 -0.541 245 HA VAL 33 HA VAL 33 15.125 2.647 0.931 246 HB VAL 33 HB VAL 33 16.460 5.116 2.066 247 1HG1 VAL 33 1HG1 VAL 33 15.169 3.828 3.685 248 2HG1 VAL 33 2HG1 VAL 33 16.900 3.682 4.002 249 3HG1 VAL 33 3HG1 VAL 33 16.032 2.360 3.219 250 1HG2 VAL 33 1HG2 VAL 33 17.974 4.052 0.496 251 2HG2 VAL 33 2HG2 VAL 33 17.698 2.485 1.256 252 3HG2 VAL 33 3HG2 VAL 33 18.517 3.767 2.149 253 H LEU 34 H LEU 34 12.941 2.709 1.161 254 HA LEU 34 HA LEU 34 11.574 5.232 1.500 255 1HB LEU 34 2HB LEU 34 10.556 2.399 1.426 256 2HB LEU 34 1HB LEU 34 9.525 3.795 1.668 257 HG LEU 34 HG LEU 34 10.624 4.600 -0.587 258 1HD1 LEU 34 1HD1 LEU 34 10.891 1.605 -0.764 259 2HD1 LEU 34 2HD1 LEU 34 12.207 2.780 -0.798 260 3HD1 LEU 34 3HD1 LEU 34 11.034 2.729 -2.114 261 1HD2 LEU 34 1HD2 LEU 34 8.482 2.488 -0.449 262 2HD2 LEU 34 2HD2 LEU 34 8.745 3.616 -1.779 263 3HD2 LEU 34 3HD2 LEU 34 8.256 4.218 -0.193 264 H LYS 35 H LYS 35 10.283 5.777 3.279 265 HA LYS 35 HA LYS 35 11.314 4.652 5.795 266 1HB LYS 35 2HB LYS 35 10.523 7.428 4.982 267 2HB LYS 35 1HB LYS 35 10.495 6.967 6.674 268 1HG LYS 35 2HG LYS 35 12.931 6.597 4.963 269 2HG LYS 35 1HG LYS 35 12.597 8.109 5.815 270 1HD LYS 35 2HD LYS 35 12.881 5.379 7.072 271 2HD LYS 35 1HD LYS 35 14.095 6.659 7.097 272 1HE LYS 35 2HE LYS 35 12.677 8.064 8.425 273 2HE LYS 35 1HE LYS 35 11.319 6.952 8.242 274 1HZ LYS 35 1HZ LYS 35 12.543 5.295 9.486 275 2HZ LYS 35 2HZ LYS 35 12.368 6.713 10.399 276 3HZ LYS 35 3HZ LYS 35 13.855 6.355 9.669 277 H ARG 36 H ARG 36 9.900 4.743 7.640 278 HA ARG 36 HA ARG 36 7.358 3.633 7.259 279 1HB ARG 36 2HB ARG 36 8.786 3.502 9.326 280 2HB ARG 36 1HB ARG 36 8.334 5.163 9.672 281 1HG ARG 36 2HG ARG 36 6.013 4.530 9.882 282 2HG ARG 36 1HG ARG 36 6.405 2.866 9.439 283 1HD ARG 36 2HD ARG 36 7.860 2.705 11.405 284 2HD ARG 36 1HD ARG 36 7.417 4.347 11.858 285 HE ARG 36 HE ARG 36 5.590 2.033 11.842 286 1HH1 ARG 36 1HH1 ARG 36 6.425 5.261 12.905 287 2HH1 ARG 36 2HH1 ARG 36 5.235 5.296 14.171 288 1HH2 ARG 36 1HH2 ARG 36 4.022 2.061 13.491 289 2HH2 ARG 36 2HH2 ARG 36 3.855 3.468 14.505 290 H GLY 37 H GLY 37 5.327 4.503 7.164 291 1HA GLY 37 2HA GLY 37 3.744 6.252 7.472 292 2HA GLY 37 1HA GLY 37 5.066 7.410 7.482 293 H THR 38 H THR 38 6.102 5.782 5.033 294 HA THR 38 HA THR 38 5.201 7.455 3.000 295 HB THR 38 HB THR 38 6.209 4.610 2.690 296 HG1 THR 38 1HG THR 38 7.839 5.712 3.662 297 1HG2 THR 38 1HG2 THR 38 6.146 6.909 0.724 298 2HG2 THR 38 2HG2 THR 38 5.142 5.461 0.657 299 3HG2 THR 38 3HG2 THR 38 6.889 5.335 0.444 300 H MET 39 H MET 39 3.292 7.615 2.039 301 HA MET 39 HA MET 39 1.351 5.497 2.510 302 1HB MET 39 2HB MET 39 0.811 7.875 3.072 303 2HB MET 39 1HB MET 39 0.870 8.242 1.351 304 1HG MET 39 2HG MET 39 -1.006 6.925 0.887 305 2HG MET 39 1HG MET 39 -0.922 6.109 2.449 306 1HE MET 39 1HE MET 39 -3.002 6.408 3.679 307 2HE MET 39 2HE MET 39 -3.680 6.733 2.080 308 3HE MET 39 3HE MET 39 -4.113 7.762 3.446 309 H ILE 40 H ILE 40 0.893 4.085 1.046 310 HA ILE 40 HA ILE 40 1.330 4.761 -1.787 311 HB ILE 40 HB ILE 40 1.178 2.001 -0.550 312 1HG1 ILE 40 2HG1 ILE 40 3.541 3.584 -1.590 313 2HG1 ILE 40 1HG1 ILE 40 3.247 3.136 0.086 314 1HG2 ILE 40 1HG2 ILE 40 1.816 2.877 -3.365 315 2HG2 ILE 40 2HG2 ILE 40 0.350 2.050 -2.837 316 3HG2 ILE 40 3HG2 ILE 40 1.906 1.222 -2.762 317 1HD1 ILE 40 1HD1 ILE 40 3.825 1.249 -2.187 318 2HD1 ILE 40 2HD1 ILE 40 3.489 0.773 -0.521 319 3HD1 ILE 40 3HD1 ILE 40 4.934 1.713 -0.896 320 H ARG 41 H ARG 41 -0.603 5.726 -2.172 321 HA ARG 41 HA ARG 41 -3.026 4.214 -1.511 322 1HB ARG 41 2HB ARG 41 -4.179 6.463 -1.906 323 2HB ARG 41 1HB ARG 41 -3.177 6.317 -0.475 324 1HG ARG 41 2HG ARG 41 -2.560 8.380 -1.258 325 2HG ARG 41 1HG ARG 41 -1.324 7.349 -1.974 326 1HD ARG 41 2HD ARG 41 -2.013 8.786 -3.697 327 2HD ARG 41 1HD ARG 41 -2.807 7.248 -4.028 328 HE ARG 41 HE ARG 41 -4.480 8.939 -2.475 329 1HH1 ARG 41 1HH1 ARG 41 -3.300 8.449 -5.742 330 2HH1 ARG 41 2HH1 ARG 41 -4.648 9.240 -6.492 331 1HH2 ARG 41 1HH2 ARG 41 -6.251 9.993 -3.452 332 2HH2 ARG 41 2HH2 ARG 41 -6.331 10.128 -5.187 333 H GLY 42 H GLY 42 -4.496 3.664 -3.060 334 1HA GLY 42 2HA GLY 42 -5.337 3.489 -5.247 335 2HA GLY 42 1HA GLY 42 -3.943 4.390 -5.836 336 H ILE 43 H ILE 43 -4.292 1.442 -3.884 337 HA ILE 43 HA ILE 43 -2.311 0.135 -5.602 338 HB ILE 43 HB ILE 43 -2.021 -1.506 -3.865 339 1HG1 ILE 43 2HG1 ILE 43 -3.351 -0.876 -1.609 340 2HG1 ILE 43 1HG1 ILE 43 -4.556 -0.376 -2.790 341 1HG2 ILE 43 1HG2 ILE 43 -2.140 1.269 -2.708 342 2HG2 ILE 43 2HG2 ILE 43 -0.789 0.539 -3.576 343 3HG2 ILE 43 3HG2 ILE 43 -1.269 -0.091 -2.001 344 1HD1 ILE 43 1HD1 ILE 43 -3.331 -3.118 -2.579 345 2HD1 ILE 43 2HD1 ILE 43 -4.555 -2.618 -3.746 346 3HD1 ILE 43 3HD1 ILE 43 -4.939 -2.652 -2.025 347 H ARG 44 H ARG 44 -2.688 -2.172 -6.106 348 HA ARG 44 HA ARG 44 -5.489 -2.982 -6.186 349 1HB ARG 44 2HB ARG 44 -5.074 -3.783 -8.576 350 2HB ARG 44 1HB ARG 44 -5.392 -2.075 -8.319 351 1HG ARG 44 2HG ARG 44 -3.017 -1.590 -8.493 352 2HG ARG 44 1HG ARG 44 -2.675 -3.311 -8.711 353 1HD ARG 44 2HD ARG 44 -2.804 -1.905 -10.816 354 2HD ARG 44 1HD ARG 44 -3.780 -3.374 -10.776 355 HE ARG 44 HE ARG 44 -5.463 -1.428 -9.856 356 1HH1 ARG 44 1HH1 ARG 44 -3.543 -1.802 -12.769 357 2HH1 ARG 44 2HH1 ARG 44 -4.697 -0.975 -13.778 358 1HH2 ARG 44 1HH2 ARG 44 -6.964 -0.377 -11.148 359 2HH2 ARG 44 2HH2 ARG 44 -6.666 -0.173 -12.855 360 H LEU 45 H LEU 45 -5.773 -5.251 -6.623 361 HA LEU 45 HA LEU 45 -3.771 -6.833 -5.318 362 1HB LEU 45 2HB LEU 45 -6.227 -7.795 -6.786 363 2HB LEU 45 1HB LEU 45 -5.307 -8.675 -5.581 364 HG LEU 45 HG LEU 45 -7.074 -6.280 -5.133 365 1HD1 LEU 45 1HD1 LEU 45 -7.229 -9.115 -4.131 366 2HD1 LEU 45 2HD1 LEU 45 -8.252 -8.391 -5.373 367 3HD1 LEU 45 3HD1 LEU 45 -8.334 -7.807 -3.711 368 1HD2 LEU 45 1HD2 LEU 45 -5.077 -6.078 -3.754 369 2HD2 LEU 45 2HD2 LEU 45 -5.334 -7.712 -3.140 370 3HD2 LEU 45 3HD2 LEU 45 -6.502 -6.439 -2.779 371 H THR 46 H THR 46 -2.744 -8.699 -6.265 372 HA THR 46 HA THR 46 -2.438 -8.487 -9.186 373 HB THR 46 HB THR 46 -0.101 -9.247 -8.927 374 HG1 THR 46 1HG THR 46 -0.589 -8.900 -6.131 375 1HG2 THR 46 1HG2 THR 46 -0.753 -6.752 -7.361 376 2HG2 THR 46 2HG2 THR 46 -0.534 -6.859 -9.107 377 3HG2 THR 46 3HG2 THR 46 0.828 -7.157 -8.028 378 H ASP 47 H ASP 47 -0.994 -10.729 -9.685 379 HA ASP 47 HA ASP 47 -2.794 -12.881 -9.309 380 1HB ASP 47 2HB ASP 47 0.133 -12.972 -10.085 381 2HB ASP 47 1HB ASP 47 -1.033 -14.274 -10.300 382 H SER 48 H SER 48 -0.308 -11.521 -7.422 383 HA SER 48 HA SER 48 0.146 -13.846 -5.775 384 1HB SER 48 2HB SER 48 1.091 -10.982 -5.641 385 2HB SER 48 1HB SER 48 1.552 -12.209 -4.474 386 HG SER 48 HG SER 48 3.136 -12.430 -5.865 387 H GLU 49 H GLU 49 -0.466 -14.040 -3.632 388 HA GLU 49 HA GLU 49 -2.825 -12.486 -2.849 389 1HB GLU 49 2HB GLU 49 -1.670 -14.925 -1.487 390 2HB GLU 49 1HB GLU 49 -3.273 -14.239 -1.269 391 1HG GLU 49 2HG GLU 49 -3.846 -14.840 -3.560 392 2HG GLU 49 1HG GLU 49 -2.234 -15.523 -3.777 393 H ASP 50 H ASP 50 0.474 -12.703 -2.335 394 HA ASP 50 HA ASP 50 0.328 -11.432 0.311 395 1HB ASP 50 2HB ASP 50 2.501 -12.947 -1.118 396 2HB ASP 50 1HB ASP 50 2.843 -11.962 0.301 397 H GLU 51 H GLU 51 0.571 -10.624 -2.877 398 HA GLU 51 HA GLU 51 2.141 -8.220 -2.272 399 1HB GLU 51 2HB GLU 51 2.322 -9.925 -4.751 400 2HB GLU 51 1HB GLU 51 2.947 -8.291 -4.666 401 1HG GLU 51 2HG GLU 51 4.857 -9.296 -4.106 402 2HG GLU 51 1HG GLU 51 4.132 -9.394 -2.504 403 H ILE 52 H ILE 52 1.518 -6.353 -3.216 404 HA ILE 52 HA ILE 52 -0.806 -6.395 -5.011 405 HB ILE 52 HB ILE 52 -1.545 -4.237 -3.921 406 1HG1 ILE 52 2HG1 ILE 52 -0.814 -4.294 -1.365 407 2HG1 ILE 52 1HG1 ILE 52 0.629 -5.033 -2.040 408 1HG2 ILE 52 1HG2 ILE 52 -2.757 -6.289 -3.579 409 2HG2 ILE 52 2HG2 ILE 52 -2.725 -5.356 -2.085 410 3HG2 ILE 52 3HG2 ILE 52 -1.665 -6.752 -2.274 411 1HD1 ILE 52 1HD1 ILE 52 0.946 -3.082 -3.481 412 2HD1 ILE 52 2HD1 ILE 52 0.934 -2.652 -1.771 413 3HD1 ILE 52 3HD1 ILE 52 -0.485 -2.335 -2.769 414 H GLU 53 H GLU 53 -0.982 -4.258 -6.198 415 HA GLU 53 HA GLU 53 1.714 -3.165 -6.681 416 1HB GLU 53 2HB GLU 53 0.826 -4.502 -8.552 417 2HB GLU 53 1HB GLU 53 -0.580 -3.468 -8.606 418 1HG GLU 53 2HG GLU 53 0.964 -1.548 -9.084 419 2HG GLU 53 1HG GLU 53 2.251 -2.740 -9.273 420 H GLY 54 H GLY 54 1.921 -1.021 -6.284 421 1HA GLY 54 2HA GLY 54 -0.546 0.588 -6.221 422 2HA GLY 54 1HA GLY 54 0.498 0.557 -4.812 423 H ARG 55 H ARG 55 0.465 2.902 -5.205 424 HA ARG 55 HA ARG 55 2.768 3.657 -6.812 425 1HB ARG 55 2HB ARG 55 1.650 5.382 -8.016 426 2HB ARG 55 1HB ARG 55 0.740 3.901 -8.257 427 1HG ARG 55 2HG ARG 55 -0.697 4.753 -6.280 428 2HG ARG 55 1HG ARG 55 0.029 6.317 -6.658 429 1HD ARG 55 2HD ARG 55 -1.889 6.354 -7.934 430 2HD ARG 55 1HD ARG 55 -0.683 5.765 -9.082 431 HE ARG 55 HE ARG 55 -1.945 3.607 -7.728 432 1HH1 ARG 55 1HH1 ARG 55 -2.453 5.931 -10.308 433 2HH1 ARG 55 2HH1 ARG 55 -3.618 4.935 -11.125 434 1HH2 ARG 55 1HH2 ARG 55 -3.484 2.322 -8.797 435 2HH2 ARG 55 2HH2 ARG 55 -4.218 2.895 -10.269 436 H THR 56 H THR 56 3.858 5.366 -5.975 437 HA THR 56 HA THR 56 2.603 6.829 -3.763 438 HB THR 56 HB THR 56 3.959 5.060 -2.759 439 HG1 THR 56 1HG THR 56 4.053 6.777 -1.453 440 1HG2 THR 56 1HG2 THR 56 5.534 4.737 -4.605 441 2HG2 THR 56 2HG2 THR 56 6.369 4.962 -3.065 442 3HG2 THR 56 3HG2 THR 56 6.290 6.287 -4.228 443 H ASP 57 H ASP 57 4.598 8.525 -3.099 444 HA ASP 57 HA ASP 57 4.570 10.449 -5.146 445 1HB ASP 57 2HB ASP 57 4.788 11.186 -2.887 446 2HB ASP 57 1HB ASP 57 6.212 10.183 -2.626 447 H LYS 58 H LYS 58 6.999 8.119 -4.144 448 HA LYS 58 HA LYS 58 8.971 9.107 -5.990 449 1HB LYS 58 2HB LYS 58 8.865 6.757 -4.124 450 2HB LYS 58 1HB LYS 58 10.176 6.967 -5.245 451 1HG LYS 58 2HG LYS 58 11.043 7.923 -3.366 452 2HG LYS 58 1HG LYS 58 10.357 9.329 -4.187 453 1HD LYS 58 2HD LYS 58 8.296 9.018 -2.878 454 2HD LYS 58 1HD LYS 58 9.093 7.717 -2.005 455 1HE LYS 58 2HE LYS 58 9.191 9.764 -0.705 456 2HE LYS 58 1HE LYS 58 10.809 9.305 -1.235 457 1HZ LYS 58 1HZ LYS 58 9.099 11.350 -2.554 458 2HZ LYS 58 2HZ LYS 58 10.685 10.938 -2.985 459 3HZ LYS 58 3HZ LYS 58 10.384 11.682 -1.496 460 H ILE 59 H ILE 59 7.428 5.913 -5.661 461 HA ILE 59 HA ILE 59 7.802 5.566 -8.563 462 HB ILE 59 HB ILE 59 7.697 3.360 -6.505 463 1HG1 ILE 59 2HG1 ILE 59 10.276 3.714 -7.722 464 2HG1 ILE 59 1HG1 ILE 59 9.764 5.221 -6.968 465 1HG2 ILE 59 1HG2 ILE 59 8.608 1.980 -8.298 466 2HG2 ILE 59 2HG2 ILE 59 8.599 3.369 -9.385 467 3HG2 ILE 59 3HG2 ILE 59 7.078 2.709 -8.785 468 1HD1 ILE 59 1HD1 ILE 59 9.463 4.105 -4.855 469 2HD1 ILE 59 2HD1 ILE 59 11.091 3.811 -5.468 470 3HD1 ILE 59 3HD1 ILE 59 9.861 2.551 -5.589 471 H LYS 60 H LYS 60 6.045 5.221 -9.750 472 HA LYS 60 HA LYS 60 3.591 4.353 -8.371 473 1HB LYS 60 2HB LYS 60 2.352 5.354 -10.273 474 2HB LYS 60 1HB LYS 60 3.283 6.533 -9.361 475 1HG LYS 60 2HG LYS 60 4.947 6.642 -11.063 476 2HG LYS 60 1HG LYS 60 4.227 5.280 -11.922 477 1HD LYS 60 2HD LYS 60 2.829 7.910 -11.440 478 2HD LYS 60 1HD LYS 60 3.709 7.515 -12.916 479 1HE LYS 60 2HE LYS 60 1.383 5.931 -11.832 480 2HE LYS 60 1HE LYS 60 1.255 7.164 -13.086 481 1HZ LYS 60 1HZ LYS 60 1.430 4.772 -13.851 482 2HZ LYS 60 2HZ LYS 60 3.057 4.828 -13.371 483 3HZ LYS 60 3HZ LYS 60 2.490 5.875 -14.576 484 H GLY 61 H GLY 61 2.574 2.538 -9.026 485 1HA GLY 61 2HA GLY 61 2.016 0.741 -10.384 486 2HA GLY 61 1HA GLY 61 3.109 1.366 -11.611 487 H LEU 62 H LEU 62 3.859 0.604 -8.238 488 HA LEU 62 HA LEU 62 5.744 -1.404 -9.252 489 1HB LEU 62 2HB LEU 62 7.230 -0.948 -7.510 490 2HB LEU 62 1HB LEU 62 6.693 0.626 -8.047 491 HG LEU 62 HG LEU 62 5.630 -0.784 -5.595 492 1HD1 LEU 62 1HD1 LEU 62 8.000 -0.287 -5.353 493 2HD1 LEU 62 2HD1 LEU 62 7.032 0.773 -4.330 494 3HD1 LEU 62 3HD1 LEU 62 7.713 1.385 -5.838 495 1HD2 LEU 62 1HD2 LEU 62 4.066 0.851 -6.472 496 2HD2 LEU 62 2HD2 LEU 62 5.343 2.061 -6.569 497 3HD2 LEU 62 3HD2 LEU 62 4.809 1.467 -4.995 498 H VAL 63 H VAL 63 5.743 -3.419 -8.411 499 HA VAL 63 HA VAL 63 3.380 -4.131 -6.858 500 HB VAL 63 HB VAL 63 5.374 -5.962 -8.201 501 1HG1 VAL 63 1HG1 VAL 63 3.623 -7.663 -7.966 502 2HG1 VAL 63 2HG1 VAL 63 2.617 -6.502 -7.101 503 3HG1 VAL 63 3HG1 VAL 63 4.143 -7.041 -6.400 504 1HG2 VAL 63 1HG2 VAL 63 3.617 -6.250 -9.932 505 2HG2 VAL 63 2HG2 VAL 63 4.315 -4.634 -9.895 506 3HG2 VAL 63 3HG2 VAL 63 2.725 -4.922 -9.188 507 H LEU 64 H LEU 64 3.536 -4.335 -4.761 508 HA LEU 64 HA LEU 64 6.097 -5.232 -3.612 509 1HB LEU 64 2HB LEU 64 4.439 -2.868 -2.811 510 2HB LEU 64 1HB LEU 64 5.414 -3.707 -1.621 511 HG LEU 64 HG LEU 64 6.555 -2.577 -4.171 512 1HD1 LEU 64 1HD1 LEU 64 7.399 -0.746 -2.771 513 2HD1 LEU 64 2HD1 LEU 64 6.449 -1.356 -1.415 514 3HD1 LEU 64 3HD1 LEU 64 5.638 -0.756 -2.863 515 1HD2 LEU 64 1HD2 LEU 64 7.903 -4.323 -3.248 516 2HD2 LEU 64 2HD2 LEU 64 7.750 -3.656 -1.623 517 3HD2 LEU 64 3HD2 LEU 64 8.668 -2.782 -2.854 518 H ARG 65 H ARG 65 6.018 -6.533 -1.877 519 HA ARG 65 HA ARG 65 3.700 -8.019 -1.309 520 1HB ARG 65 2HB ARG 65 5.096 -8.654 0.789 521 2HB ARG 65 1HB ARG 65 5.655 -9.151 -0.799 522 1HG ARG 65 2HG ARG 65 7.278 -7.429 -0.847 523 2HG ARG 65 1HG ARG 65 6.623 -6.665 0.595 524 1HD ARG 65 2HD ARG 65 8.715 -8.054 0.922 525 2HD ARG 65 1HD ARG 65 7.356 -8.453 1.974 526 HE ARG 65 HE ARG 65 6.980 -10.166 -0.040 527 1HH1 ARG 65 1HH1 ARG 65 9.888 -9.401 1.780 528 2HH1 ARG 65 2HH1 ARG 65 10.550 -11.001 1.599 529 1HH2 ARG 65 1HH2 ARG 65 7.839 -12.226 -0.270 530 2HH2 ARG 65 2HH2 ARG 65 9.373 -12.617 0.455 531 H THR 66 H THR 66 2.116 -7.737 0.106 532 HA THR 66 HA THR 66 1.940 -5.135 1.375 533 HB THR 66 HB THR 66 0.052 -5.971 0.051 534 HG1 THR 66 1HG THR 66 -0.517 -5.774 2.838 535 1HG2 THR 66 1HG2 THR 66 -1.333 -7.823 0.888 536 2HG2 THR 66 2HG2 THR 66 -0.138 -8.135 2.147 537 3HG2 THR 66 3HG2 THR 66 0.289 -8.357 0.450 538 H GLU 67 H GLU 67 3.780 -7.166 2.452 539 HA GLU 67 HA GLU 67 2.519 -8.205 4.855 540 1HB GLU 67 2HB GLU 67 5.447 -8.271 4.119 541 2HB GLU 67 1HB GLU 67 4.590 -9.338 5.228 542 1HG GLU 67 2HG GLU 67 3.252 -10.135 3.298 543 2HG GLU 67 1HG GLU 67 4.302 -9.206 2.247 544 H PHE 68 H PHE 68 4.413 -5.603 3.785 545 HA PHE 68 HA PHE 68 4.789 -4.663 6.545 546 1HB PHE 68 2HB PHE 68 6.687 -3.339 5.695 547 2HB PHE 68 1HB PHE 68 6.891 -5.066 5.412 548 HD1 PHE 68 1HD PHE 68 7.288 -5.905 3.287 549 HD2 PHE 68 2HD PHE 68 5.965 -1.889 3.741 550 HE1 PHE 68 1HE PHE 68 7.761 -5.482 0.909 551 HE2 PHE 68 2HE PHE 68 6.427 -1.462 1.363 552 HZ PHE 68 HZ PHE 68 7.331 -3.261 -0.055 553 H LEU 69 H LEU 69 2.520 -4.384 4.521 554 HA LEU 69 HA LEU 69 2.416 -1.440 4.522 555 1HB LEU 69 2HB LEU 69 0.947 -3.337 2.693 556 2HB LEU 69 1HB LEU 69 0.862 -1.592 2.643 557 HG LEU 69 HG LEU 69 3.372 -3.177 2.094 558 1HD1 LEU 69 1HD1 LEU 69 2.979 -2.637 -0.255 559 2HD1 LEU 69 2HD1 LEU 69 1.432 -1.903 0.169 560 3HD1 LEU 69 3HD1 LEU 69 1.681 -3.633 0.403 561 1HD2 LEU 69 1HD2 LEU 69 2.678 -0.265 1.731 562 2HD2 LEU 69 2HD2 LEU 69 4.148 -1.039 1.137 563 3HD2 LEU 69 3HD2 LEU 69 3.842 -0.944 2.871 564 H LYS 70 H LYS 70 0.573 -0.456 5.174 565 HA LYS 70 HA LYS 70 -1.293 -2.161 6.681 566 1HB LYS 70 2HB LYS 70 0.437 -0.357 7.746 567 2HB LYS 70 1HB LYS 70 -0.973 0.663 7.489 568 1HG LYS 70 2HG LYS 70 -1.048 -1.960 8.942 569 2HG LYS 70 1HG LYS 70 -0.822 -0.404 9.745 570 1HD LYS 70 2HD LYS 70 -3.145 -0.768 7.907 571 2HD LYS 70 1HD LYS 70 -3.217 -1.464 9.526 572 1HE LYS 70 2HE LYS 70 -2.833 0.692 10.519 573 2HE LYS 70 1HE LYS 70 -2.587 1.422 8.933 574 1HZ LYS 70 1HZ LYS 70 -4.796 1.891 9.759 575 2HZ LYS 70 2HZ LYS 70 -5.126 0.237 9.934 576 3HZ LYS 70 3HZ LYS 70 -4.893 0.896 8.392 577 H LYS 71 H LYS 71 -3.351 -2.032 6.093 578 HA LYS 71 HA LYS 71 -4.179 -0.444 3.906 579 1HB LYS 71 2HB LYS 71 -5.281 -2.555 4.476 580 2HB LYS 71 1HB LYS 71 -5.844 -1.863 5.993 581 1HG LYS 71 2HG LYS 71 -7.073 -0.148 4.616 582 2HG LYS 71 1HG LYS 71 -6.686 -1.132 3.205 583 1HD LYS 71 2HD LYS 71 -7.913 -2.983 4.055 584 2HD LYS 71 1HD LYS 71 -8.098 -2.215 5.633 585 1HE LYS 71 2HE LYS 71 -10.167 -2.043 4.423 586 2HE LYS 71 1HE LYS 71 -9.445 -0.442 4.571 587 1HZ LYS 71 1HZ LYS 71 -10.311 -0.815 2.358 588 2HZ LYS 71 2HZ LYS 71 -9.325 -2.177 2.162 589 3HZ LYS 71 3HZ LYS 71 -8.628 -0.644 2.304 590 H ALA 72 H ALA 72 -4.756 1.626 3.826 591 HA ALA 72 HA ALA 72 -4.974 3.081 6.337 592 1HB ALA 72 1HB ALA 72 -3.492 3.941 4.590 593 2HB ALA 72 2HB ALA 72 -4.785 5.081 4.962 594 3HB ALA 72 3HB ALA 72 -4.870 4.099 3.499 595 H GLY 73 H GLY 73 -6.912 3.295 7.238 596 1HA GLY 73 2HA GLY 73 -9.354 3.138 5.735 597 2HA GLY 73 1HA GLY 73 -9.200 3.590 7.431 598 H SER 74 H SER 74 -7.167 5.615 6.701 599 HA SER 74 HA SER 74 -8.784 7.588 5.271 600 1HB SER 74 2HB SER 74 -7.398 8.076 7.922 601 2HB SER 74 1HB SER 74 -8.254 9.288 6.969 602 HG SER 74 HG SER 74 -10.133 8.467 7.556
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