NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17330 | 2ca7 | 6506 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1HT LYS 1 -2.217 -13.953 11.079 2 2H LYS 1 2HT LYS 1 -1.381 -12.675 10.436 3 3H LYS 1 3HT LYS 1 -0.587 -13.705 11.527 4 HA LYS 1 HA LYS 1 0.026 -14.046 9.214 5 1HB LYS 1 2HB LYS 1 -0.486 -16.518 9.085 6 2HB LYS 1 1HB LYS 1 0.137 -16.027 10.653 7 1HG LYS 1 2HG LYS 1 -2.196 -15.968 11.499 8 2HG LYS 1 1HG LYS 1 -2.734 -16.591 9.942 9 1HD LYS 1 2HD LYS 1 -2.539 -18.364 11.637 10 2HD LYS 1 1HD LYS 1 -1.424 -18.619 10.289 11 1HE LYS 1 2HE LYS 1 0.421 -17.838 11.585 12 2HE LYS 1 1HE LYS 1 -0.645 -17.274 12.869 13 1HZ LYS 1 1HZ LYS 1 -1.200 -19.488 13.414 14 2HZ LYS 1 2HZ LYS 1 0.471 -19.396 13.384 15 3HZ LYS 1 3HZ LYS 1 -0.361 -20.130 12.094 16 H ASP 2 H ASP 2 -0.999 -15.540 7.261 17 HA ASP 2 HA ASP 2 -2.359 -15.542 5.451 18 1HB ASP 2 2HB ASP 2 -4.429 -14.536 7.413 19 2HB ASP 2 1HB ASP 2 -4.783 -14.608 5.694 20 H ARG 3 H ARG 3 -3.081 -12.550 7.113 21 HA ARG 3 HA ARG 3 -1.811 -11.050 4.957 22 1HB ARG 3 2HB ARG 3 -4.604 -10.450 5.976 23 2HB ARG 3 1HB ARG 3 -3.676 -9.469 4.879 24 1HG ARG 3 2HG ARG 3 -3.918 -11.174 3.150 25 2HG ARG 3 1HG ARG 3 -4.836 -12.187 4.278 26 1HD ARG 3 2HD ARG 3 -6.445 -10.358 4.579 27 2HD ARG 3 1HD ARG 3 -5.556 -9.391 3.420 28 HE ARG 3 HE ARG 3 -6.271 -11.736 2.146 29 1HH1 ARG 3 1HH1 ARG 3 -7.940 -9.119 3.820 30 2HH1 ARG 3 2HH1 ARG 3 -9.266 -9.023 2.772 31 1HH2 ARG 3 1HH2 ARG 3 -8.189 -11.653 0.615 32 2HH2 ARG 3 2HH2 ARG 3 -9.391 -10.479 0.922 33 HA PRO 4 HA PRO 4 -1.050 -8.911 8.827 34 1HB PRO 4 2HB PRO 4 0.031 -6.761 7.012 35 2HB PRO 4 1HB PRO 4 0.817 -7.498 8.413 36 1HG PRO 4 2HG PRO 4 1.575 -8.102 5.911 37 2HG PRO 4 1HG PRO 4 1.578 -9.315 7.201 38 1HD PRO 4 2HD PRO 4 -0.391 -8.912 4.985 39 2HD PRO 4 1HD PRO 4 0.225 -10.426 5.683 40 H SER 5 H SER 5 -2.904 -7.658 9.520 41 HA SER 5 HA SER 5 -4.926 -7.104 7.860 42 1HB SER 5 2HB SER 5 -4.387 -5.966 10.582 43 2HB SER 5 1HB SER 5 -5.960 -5.975 9.769 44 HG SER 5 HG SER 5 -5.585 -8.261 9.498 45 H LEU 6 H LEU 6 -2.119 -5.049 8.290 46 HA LEU 6 HA LEU 6 -3.483 -2.694 7.714 47 1HB LEU 6 2HB LEU 6 -1.151 -1.773 7.544 48 2HB LEU 6 1HB LEU 6 -1.599 -2.455 9.084 49 HG LEU 6 HG LEU 6 -0.300 -4.536 8.408 50 1HD1 LEU 6 1HD1 LEU 6 1.447 -4.285 6.723 51 2HD1 LEU 6 2HD1 LEU 6 0.772 -2.726 6.253 52 3HD1 LEU 6 3HD1 LEU 6 -0.168 -4.202 6.018 53 1HD2 LEU 6 1HD2 LEU 6 1.856 -3.539 8.992 54 2HD2 LEU 6 2HD2 LEU 6 0.544 -2.937 10.008 55 3HD2 LEU 6 3HD2 LEU 6 1.185 -1.937 8.705 56 H CYS 7 H CYS 7 -2.591 -5.299 5.788 57 HA CYS 7 HA CYS 7 -2.005 -3.840 3.404 58 1HB CYS 7 2HB CYS 7 -2.829 -6.714 3.828 59 2HB CYS 7 1HB CYS 7 -2.146 -6.039 2.355 60 H ASP 8 H ASP 8 -4.772 -4.807 5.201 61 HA ASP 8 HA ASP 8 -6.687 -4.489 2.985 62 1HB ASP 8 2HB ASP 8 -6.816 -6.573 4.433 63 2HB ASP 8 1HB ASP 8 -7.118 -5.540 5.823 64 H LEU 9 H LEU 9 -5.221 -2.262 4.124 65 HA LEU 9 HA LEU 9 -6.879 -1.145 6.217 66 1HB LEU 9 2HB LEU 9 -4.348 -1.581 6.568 67 2HB LEU 9 1HB LEU 9 -4.084 -0.352 5.370 68 HG LEU 9 HG LEU 9 -3.712 0.468 7.626 69 1HD1 LEU 9 1HD1 LEU 9 -4.423 2.094 6.022 70 2HD1 LEU 9 2HD1 LEU 9 -5.095 2.466 7.612 71 3HD1 LEU 9 3HD1 LEU 9 -6.115 1.739 6.368 72 1HD2 LEU 9 1HD2 LEU 9 -6.610 -0.183 8.113 73 2HD2 LEU 9 2HD2 LEU 9 -5.575 0.735 9.205 74 3HD2 LEU 9 3HD2 LEU 9 -5.211 -0.957 8.860 75 HA PRO 10 HA PRO 10 -9.066 1.148 3.409 76 1HB PRO 10 2HB PRO 10 -7.889 3.384 4.969 77 2HB PRO 10 1HB PRO 10 -9.553 3.125 4.429 78 1HG PRO 10 2HG PRO 10 -8.526 2.439 6.929 79 2HG PRO 10 1HG PRO 10 -10.038 1.839 6.224 80 1HD PRO 10 2HD PRO 10 -7.713 0.337 6.808 81 2HD PRO 10 1HD PRO 10 -9.127 -0.205 5.880 82 H ALA 11 H ALA 11 -8.551 1.185 1.568 83 HA ALA 11 HA ALA 11 -6.039 2.374 0.326 84 1HB ALA 11 1HB ALA 11 -8.715 1.391 -0.835 85 2HB ALA 11 2HB ALA 11 -7.197 0.510 -0.964 86 3HB ALA 11 3HB ALA 11 -7.399 2.049 -1.807 87 H ASP 12 H ASP 12 -5.936 4.057 1.182 88 HA ASP 12 HA ASP 12 -8.002 6.097 0.722 89 1HB ASP 12 2HB ASP 12 -8.204 5.432 3.090 90 2HB ASP 12 1HB ASP 12 -6.490 5.759 3.318 91 H SER 13 H SER 13 -7.617 8.096 0.223 92 HA SER 13 HA SER 13 -4.971 8.407 -1.061 93 1HB SER 13 2HB SER 13 -6.261 10.244 -2.224 94 2HB SER 13 1HB SER 13 -6.754 8.589 -2.601 95 HG SER 13 HG SER 13 -8.070 10.458 -0.876 96 H GLY 14 H GLY 14 -6.646 9.635 1.616 97 1HA GLY 14 2HA GLY 14 -5.865 11.178 3.114 98 2HA GLY 14 1HA GLY 14 -4.443 11.389 2.097 99 H SER 15 H SER 15 -5.551 13.566 3.160 100 HA SER 15 HA SER 15 -6.460 14.625 0.942 101 1HB SER 15 2HB SER 15 -8.493 15.011 3.162 102 2HB SER 15 1HB SER 15 -8.478 16.109 1.779 103 HG SER 15 HG SER 15 -9.751 13.900 1.898 104 H GLY 16 H GLY 16 -4.204 14.846 1.764 105 1HA GLY 16 2HA GLY 16 -3.682 17.192 3.277 106 2HA GLY 16 1HA GLY 16 -2.517 16.121 2.535 107 H THR 17 H THR 17 -1.756 18.453 2.460 108 HA THR 17 HA THR 17 -2.675 20.127 0.280 109 HB THR 17 HB THR 17 -0.786 21.505 1.261 110 HG1 THR 17 1HG THR 17 -0.724 20.569 3.659 111 1HG2 THR 17 1HG2 THR 17 -3.177 21.925 1.699 112 2HG2 THR 17 2HG2 THR 17 -2.210 22.210 3.141 113 3HG2 THR 17 3HG2 THR 17 -3.151 20.724 2.991 114 H LYS 18 H LYS 18 -0.260 17.618 0.524 115 HA LYS 18 HA LYS 18 1.656 18.751 -1.450 116 1HB LYS 18 2HB LYS 18 2.518 18.366 0.903 117 2HB LYS 18 1HB LYS 18 1.813 16.769 0.863 118 1HG LYS 18 2HG LYS 18 4.153 16.551 0.548 119 2HG LYS 18 1HG LYS 18 3.380 16.208 -0.995 120 1HD LYS 18 2HD LYS 18 3.928 18.485 -1.746 121 2HD LYS 18 1HD LYS 18 4.725 18.786 -0.194 122 1HE LYS 18 2HE LYS 18 6.250 16.893 -0.655 123 2HE LYS 18 1HE LYS 18 5.484 16.688 -2.225 124 1HZ LYS 18 1HZ LYS 18 6.854 19.139 -1.319 125 2HZ LYS 18 2HZ LYS 18 6.296 18.839 -2.911 126 3HZ LYS 18 3HZ LYS 18 7.576 17.974 -2.288 127 H ALA 19 H ALA 19 2.504 17.140 -2.835 128 HA ALA 19 HA ALA 19 0.678 14.861 -3.258 129 1HB ALA 19 1HB ALA 19 1.362 14.942 -5.611 130 2HB ALA 19 2HB ALA 19 2.400 16.329 -5.275 131 3HB ALA 19 3HB ALA 19 0.650 16.489 -5.143 132 H GLU 20 H GLU 20 1.525 12.936 -2.899 133 HA GLU 20 HA GLU 20 4.399 12.660 -3.054 134 1HB GLU 20 2HB GLU 20 3.855 13.138 -0.731 135 2HB GLU 20 1HB GLU 20 2.700 11.817 -0.702 136 1HG GLU 20 2HG GLU 20 4.791 11.235 0.395 137 2HG GLU 20 1HG GLU 20 4.474 10.222 -1.019 138 H LYS 21 H LYS 21 5.034 10.606 -3.573 139 HA LYS 21 HA LYS 21 2.997 8.860 -4.879 140 1HB LYS 21 2HB LYS 21 4.935 9.850 -6.164 141 2HB LYS 21 1HB LYS 21 5.991 8.931 -5.101 142 1HG LYS 21 2HG LYS 21 4.759 6.869 -5.860 143 2HG LYS 21 1HG LYS 21 4.005 7.883 -7.088 144 1HD LYS 21 2HD LYS 21 5.876 6.855 -8.113 145 2HD LYS 21 1HD LYS 21 6.335 8.534 -7.799 146 1HE LYS 21 2HE LYS 21 7.498 7.824 -5.762 147 2HE LYS 21 1HE LYS 21 7.029 6.152 -6.083 148 1HZ LYS 21 1HZ LYS 21 8.956 7.828 -7.618 149 2HZ LYS 21 2HZ LYS 21 8.228 6.475 -8.267 150 3HZ LYS 21 3HZ LYS 21 9.177 6.301 -6.905 151 H ARG 22 H ARG 22 2.224 7.343 -3.269 152 HA ARG 22 HA ARG 22 4.435 5.996 -2.094 153 1HB ARG 22 2HB ARG 22 1.615 6.438 -1.136 154 2HB ARG 22 1HB ARG 22 2.792 5.430 -0.309 155 1HG ARG 22 2HG ARG 22 3.168 8.372 -0.862 156 2HG ARG 22 1HG ARG 22 2.511 7.728 0.640 157 1HD ARG 22 2HD ARG 22 4.615 6.507 1.014 158 2HD ARG 22 1HD ARG 22 5.263 7.177 -0.485 159 HE ARG 22 HE ARG 22 5.324 9.317 0.502 160 1HH1 ARG 22 1HH1 ARG 22 4.430 6.807 2.839 161 2HH1 ARG 22 2HH1 ARG 22 4.823 7.707 4.206 162 1HH2 ARG 22 1HH2 ARG 22 5.866 10.631 2.469 163 2HH2 ARG 22 2HH2 ARG 22 5.587 9.928 3.981 164 H ILE 23 H ILE 23 3.225 3.512 -1.382 165 HA ILE 23 HA ILE 23 1.523 2.724 -3.615 166 HB ILE 23 HB ILE 23 3.862 2.139 -4.273 167 1HG1 ILE 23 2HG1 ILE 23 2.339 -0.363 -3.584 168 2HG1 ILE 23 1HG1 ILE 23 1.982 0.677 -4.957 169 1HG2 ILE 23 1HG2 ILE 23 4.856 1.847 -2.063 170 2HG2 ILE 23 2HG2 ILE 23 5.133 0.443 -3.107 171 3HG2 ILE 23 3HG2 ILE 23 3.906 0.364 -1.859 172 1HD1 ILE 23 1HD1 ILE 23 4.552 -0.819 -4.502 173 2HD1 ILE 23 2HD1 ILE 23 4.181 0.214 -5.888 174 3HD1 ILE 23 3HD1 ILE 23 3.266 -1.270 -5.623 175 H TYR 24 H TYR 24 0.006 1.016 -3.020 176 HA TYR 24 HA TYR 24 0.224 0.207 -0.188 177 1HB TYR 24 2HB TYR 24 -2.144 0.529 0.191 178 2HB TYR 24 1HB TYR 24 -1.509 2.036 -0.434 179 HD1 TYR 24 1HD TYR 24 -3.838 -0.661 -0.892 180 HD2 TYR 24 2HD TYR 24 -2.115 2.682 -2.827 181 HE1 TYR 24 1HE TYR 24 -5.644 -0.714 -2.542 182 HE2 TYR 24 2HE TYR 24 -3.916 2.642 -4.487 183 HH TYR 24 HH TYR 24 -6.745 0.730 -4.119 184 H TYR 25 H TYR 25 -0.730 -1.657 0.160 185 HA TYR 25 HA TYR 25 -0.617 -3.646 -1.882 186 1HB TYR 25 2HB TYR 25 -0.266 -4.439 0.329 187 2HB TYR 25 1HB TYR 25 -1.884 -3.949 0.827 188 HD1 TYR 25 1HD TYR 25 -0.237 -6.163 -1.719 189 HD2 TYR 25 2HD TYR 25 -3.533 -5.579 0.898 190 HE1 TYR 25 1HE TYR 25 -1.098 -8.398 -2.302 191 HE2 TYR 25 2HE TYR 25 -4.396 -7.804 0.328 192 HH TYR 25 HH TYR 25 -2.527 -10.093 -1.338 193 H ASN 26 H ASN 26 -2.287 -4.060 -3.433 194 HA ASN 26 HA ASN 26 -5.004 -3.178 -2.771 195 1HB ASN 26 2HB ASN 26 -3.963 -2.479 -4.976 196 2HB ASN 26 1HB ASN 26 -3.914 -4.185 -5.411 197 1HD2 ASN 26 1HD2 ASN 26 -5.878 -1.395 -5.034 198 2HD2 ASN 26 2HD2 ASN 26 -7.333 -2.095 -5.632 199 H SER 27 H SER 27 -6.359 -4.440 -2.293 200 HA SER 27 HA SER 27 -5.463 -7.059 -1.793 201 1HB SER 27 2HB SER 27 -6.726 -5.961 -0.022 202 2HB SER 27 1HB SER 27 -8.181 -5.974 -1.020 203 HG SER 27 HG SER 27 -8.457 -8.005 -0.672 204 H ALA 28 H ALA 28 -7.839 -5.763 -4.019 205 HA ALA 28 HA ALA 28 -9.041 -8.254 -4.619 206 1HB ALA 28 1HB ALA 28 -10.276 -6.208 -4.907 207 2HB ALA 28 2HB ALA 28 -10.142 -7.036 -6.459 208 3HB ALA 28 3HB ALA 28 -9.120 -5.642 -6.114 209 H ARG 29 H ARG 29 -6.642 -6.191 -5.961 210 HA ARG 29 HA ARG 29 -6.060 -7.865 -8.292 211 1HB ARG 29 2HB ARG 29 -4.552 -5.448 -7.261 212 2HB ARG 29 1HB ARG 29 -4.170 -6.308 -8.745 213 1HG ARG 29 2HG ARG 29 -6.773 -4.895 -8.208 214 2HG ARG 29 1HG ARG 29 -5.414 -4.213 -9.096 215 1HD ARG 29 2HD ARG 29 -7.011 -6.658 -9.846 216 2HD ARG 29 1HD ARG 29 -7.061 -5.085 -10.643 217 HE ARG 29 HE ARG 29 -4.743 -6.921 -10.651 218 1HH1 ARG 29 1HH1 ARG 29 -6.539 -4.273 -12.228 219 2HH1 ARG 29 2HH1 ARG 29 -5.628 -4.369 -13.648 220 1HH2 ARG 29 1HH2 ARG 29 -3.521 -6.982 -12.548 221 2HH2 ARG 29 2HH2 ARG 29 -3.836 -5.876 -13.829 222 H LYS 30 H LYS 30 -5.268 -7.992 -5.131 223 HA LYS 30 HA LYS 30 -3.661 -8.905 -3.763 224 1HB LYS 30 2HB LYS 30 -4.573 -10.957 -4.915 225 2HB LYS 30 1HB LYS 30 -3.287 -10.820 -6.107 226 1HG LYS 30 2HG LYS 30 -1.701 -10.948 -4.070 227 2HG LYS 30 1HG LYS 30 -3.108 -11.580 -3.220 228 1HD LYS 30 2HD LYS 30 -3.280 -13.390 -4.816 229 2HD LYS 30 1HD LYS 30 -1.942 -12.712 -5.754 230 1HE LYS 30 2HE LYS 30 -0.557 -12.902 -3.640 231 2HE LYS 30 1HE LYS 30 -1.860 -13.888 -2.989 232 1HZ LYS 30 1HZ LYS 30 -1.555 -15.393 -4.907 233 2HZ LYS 30 2HZ LYS 30 -0.186 -15.281 -3.920 234 3HZ LYS 30 3HZ LYS 30 -0.234 -14.451 -5.395 235 H GLN 31 H GLN 31 -2.843 -6.982 -5.143 236 HA GLN 31 HA GLN 31 0.205 -7.085 -5.372 237 1HB GLN 31 2HB GLN 31 0.428 -6.293 -7.533 238 2HB GLN 31 1HB GLN 31 -0.643 -7.676 -7.626 239 1HG GLN 31 2HG GLN 31 -2.545 -6.115 -7.781 240 2HG GLN 31 1HG GLN 31 -1.391 -4.777 -7.810 241 1HE2 GLN 31 1HE2 GLN 31 -1.928 -4.134 -9.911 242 2HE2 GLN 31 2HE2 GLN 31 -1.480 -5.079 -11.273 243 H CYS 32 H CYS 32 1.494 -5.301 -5.081 244 HA CYS 32 HA CYS 32 -0.254 -3.735 -3.792 245 1HB CYS 32 2HB CYS 32 1.842 -2.535 -2.858 246 2HB CYS 32 1HB CYS 32 1.523 -4.192 -2.388 247 H LEU 33 H LEU 33 -0.442 -1.348 -4.542 248 HA LEU 33 HA LEU 33 0.998 -0.461 -6.944 249 1HB LEU 33 2HB LEU 33 -1.077 -0.149 -8.190 250 2HB LEU 33 1HB LEU 33 -0.742 -1.843 -7.951 251 HG LEU 33 HG LEU 33 -2.499 -1.791 -6.102 252 1HD1 LEU 33 1HD1 LEU 33 -4.173 -0.026 -6.225 253 2HD1 LEU 33 2HD1 LEU 33 -3.177 0.853 -7.386 254 3HD1 LEU 33 3HD1 LEU 33 -2.604 0.607 -5.741 255 1HD2 LEU 33 1HD2 LEU 33 -4.337 -1.969 -7.691 256 2HD2 LEU 33 2HD2 LEU 33 -2.888 -2.779 -8.281 257 3HD2 LEU 33 3HD2 LEU 33 -3.344 -1.202 -8.931 258 H ARG 34 H ARG 34 0.642 1.443 -7.585 259 HA ARG 34 HA ARG 34 1.087 3.140 -5.340 260 1HB ARG 34 2HB ARG 34 2.578 2.990 -7.303 261 2HB ARG 34 1HB ARG 34 1.296 3.569 -8.329 262 1HG ARG 34 2HG ARG 34 2.584 5.215 -6.148 263 2HG ARG 34 1HG ARG 34 3.133 5.192 -7.817 264 1HD ARG 34 2HD ARG 34 0.746 5.902 -8.421 265 2HD ARG 34 1HD ARG 34 0.550 6.193 -6.690 266 HE ARG 34 HE ARG 34 2.848 7.495 -7.535 267 1HH1 ARG 34 1HH1 ARG 34 -0.679 7.729 -8.035 268 2HH1 ARG 34 2HH1 ARG 34 -0.600 9.430 -8.267 269 1HH2 ARG 34 1HH2 ARG 34 2.832 9.915 -7.919 270 2HH2 ARG 34 2HH2 ARG 34 1.290 10.590 -8.171 271 H PHE 35 H PHE 35 0.093 4.725 -4.799 272 HA PHE 35 HA PHE 35 -2.348 5.215 -6.041 273 1HB PHE 35 2HB PHE 35 -3.587 5.717 -3.857 274 2HB PHE 35 1HB PHE 35 -2.957 4.096 -4.056 275 HD1 PHE 35 1HD PHE 35 -0.487 3.797 -2.945 276 HD2 PHE 35 2HD PHE 35 -3.378 6.703 -1.828 277 HE1 PHE 35 1HE PHE 35 0.515 3.939 -0.707 278 HE2 PHE 35 2HE PHE 35 -2.366 6.854 0.396 279 HZ PHE 35 HZ PHE 35 -0.423 5.473 0.965 280 H ASP 36 H ASP 36 -3.106 7.868 -5.159 281 HA ASP 36 HA ASP 36 -0.652 9.163 -4.996 282 1HB ASP 36 2HB ASP 36 -2.164 10.004 -6.723 283 2HB ASP 36 1HB ASP 36 -3.476 10.147 -5.566 284 H TYR 37 H TYR 37 -0.025 9.752 -2.967 285 HA TYR 37 HA TYR 37 -2.010 9.920 -0.810 286 1HB TYR 37 2HB TYR 37 -0.251 8.130 -0.762 287 2HB TYR 37 1HB TYR 37 0.966 9.382 -0.812 288 HD1 TYR 37 1HD TYR 37 1.692 10.460 1.203 289 HD2 TYR 37 2HD TYR 37 -1.847 8.107 1.238 290 HE1 TYR 37 1HE TYR 37 1.594 10.654 3.647 291 HE2 TYR 37 2HE TYR 37 -1.958 8.294 3.678 292 HH TYR 37 HH TYR 37 -0.085 10.492 5.443 293 H THR 38 H THR 38 -2.058 11.936 0.393 294 HA THR 38 HA THR 38 -0.562 13.764 -1.134 295 HB THR 38 HB THR 38 -2.150 15.298 0.199 296 HG1 THR 38 1HG THR 38 -3.821 13.103 0.140 297 1HG2 THR 38 1HG2 THR 38 -3.830 14.902 -1.528 298 2HG2 THR 38 2HG2 THR 38 -3.101 13.340 -1.897 299 3HG2 THR 38 3HG2 THR 38 -2.211 14.829 -2.222 300 H GLY 39 H GLY 39 -0.837 13.143 2.406 301 1HA GLY 39 2HA GLY 39 1.592 12.962 3.303 302 2HA GLY 39 1HA GLY 39 1.764 14.538 2.544 303 H GLN 40 H GLN 40 -1.351 14.699 3.625 304 HA GLN 40 HA GLN 40 -0.639 14.759 6.341 305 1HB GLN 40 2HB GLN 40 -0.618 17.108 5.635 306 2HB GLN 40 1HB GLN 40 -2.174 16.921 4.843 307 1HG GLN 40 2HG GLN 40 -2.440 18.122 6.926 308 2HG GLN 40 1HG GLN 40 -3.241 16.561 7.016 309 1HE2 GLN 40 1HE2 GLN 40 -2.366 18.288 9.155 310 2HE2 GLN 40 2HE2 GLN 40 -1.322 17.350 10.149 311 H GLY 41 H GLY 41 -2.375 13.329 7.301 312 1HA GLY 41 2HA GLY 41 -4.665 12.924 7.591 313 2HA GLY 41 1HA GLY 41 -4.977 13.841 6.139 314 H GLY 42 H GLY 42 -2.997 10.858 6.593 315 1HA GLY 42 2HA GLY 42 -4.650 9.734 4.414 316 2HA GLY 42 1HA GLY 42 -2.923 9.460 4.566 317 H ASN 43 H ASN 43 -3.134 7.181 4.561 318 HA ASN 43 HA ASN 43 -4.563 5.712 6.702 319 1HB ASN 43 2HB ASN 43 -4.831 4.061 4.994 320 2HB ASN 43 1HB ASN 43 -5.509 5.549 4.350 321 1HD2 ASN 43 1HD2 ASN 43 -4.552 3.237 2.902 322 2HD2 ASN 43 2HD2 ASN 43 -3.218 3.781 1.920 323 H GLU 44 H GLU 44 -3.577 3.746 7.176 324 HA GLU 44 HA GLU 44 -0.757 4.021 7.716 325 1HB GLU 44 2HB GLU 44 -2.700 1.807 8.352 326 2HB GLU 44 1HB GLU 44 -1.085 2.012 9.009 327 1HG GLU 44 2HG GLU 44 -3.460 3.793 9.456 328 2HG GLU 44 1HG GLU 44 -2.698 2.723 10.632 329 H ASN 45 H ASN 45 -2.717 2.420 5.390 330 HA ASN 45 HA ASN 45 -0.644 0.540 4.562 331 1HB ASN 45 2HB ASN 45 -3.096 -0.055 4.381 332 2HB ASN 45 1HB ASN 45 -3.328 1.320 3.323 333 1HD2 ASN 45 1HD2 ASN 45 -4.289 -0.294 1.982 334 2HD2 ASN 45 2HD2 ASN 45 -3.318 -1.241 0.917 335 H ASN 46 H ASN 46 0.889 1.841 4.368 336 HA ASN 46 HA ASN 46 0.961 3.649 2.082 337 1HB ASN 46 2HB ASN 46 0.350 4.945 4.106 338 2HB ASN 46 1HB ASN 46 1.796 4.347 4.898 339 1HD2 ASN 46 1HD2 ASN 46 1.012 7.001 4.449 340 2HD2 ASN 46 2HD2 ASN 46 2.241 7.774 3.528 341 H PHE 47 H PHE 47 2.561 2.652 0.952 342 HA PHE 47 HA PHE 47 4.869 1.995 2.514 343 1HB PHE 47 2HB PHE 47 3.926 0.783 -0.075 344 2HB PHE 47 1HB PHE 47 5.478 0.402 0.667 345 HD1 PHE 47 1HD PHE 47 5.485 -0.615 2.968 346 HD2 PHE 47 2HD PHE 47 1.937 -0.227 0.659 347 HE1 PHE 47 1HE PHE 47 4.376 -2.285 4.385 348 HE2 PHE 47 2HE PHE 47 0.825 -1.897 2.075 349 HZ PHE 47 HZ PHE 47 2.044 -2.926 3.938 350 H ARG 48 H ARG 48 6.816 2.751 1.662 351 HA ARG 48 HA ARG 48 6.749 4.923 -0.396 352 1HB ARG 48 2HB ARG 48 7.684 5.462 1.868 353 2HB ARG 48 1HB ARG 48 8.922 4.243 1.587 354 1HG ARG 48 2HG ARG 48 10.032 6.156 0.952 355 2HG ARG 48 1HG ARG 48 9.400 5.592 -0.586 356 1HD ARG 48 2HD ARG 48 8.859 7.883 -0.658 357 2HD ARG 48 1HD ARG 48 7.379 7.217 -0.029 358 HE ARG 48 HE ARG 48 8.578 7.699 2.236 359 1HH1 ARG 48 1HH1 ARG 48 8.551 9.686 -0.677 360 2HH1 ARG 48 2HH1 ARG 48 8.782 11.163 0.128 361 1HH2 ARG 48 1HH2 ARG 48 8.911 9.744 3.402 362 2HH2 ARG 48 2HH2 ARG 48 8.973 11.187 2.533 363 H ARG 49 H ARG 49 7.689 1.512 0.002 364 HA ARG 49 HA ARG 49 9.400 1.920 -2.224 365 1HB ARG 49 2HB ARG 49 10.750 1.769 -0.186 366 2HB ARG 49 1HB ARG 49 9.966 0.258 0.244 367 1HG ARG 49 2HG ARG 49 11.010 -0.858 -1.618 368 2HG ARG 49 1HG ARG 49 11.698 0.664 -2.186 369 1HD ARG 49 2HD ARG 49 12.944 0.842 -0.050 370 2HD ARG 49 1HD ARG 49 12.318 -0.736 0.415 371 HE ARG 49 HE ARG 49 13.500 -1.512 -1.731 372 1HH1 ARG 49 1HH1 ARG 49 14.714 1.071 0.383 373 2HH1 ARG 49 2HH1 ARG 49 16.329 0.903 -0.092 374 1HH2 ARG 49 1HH2 ARG 49 15.707 -1.825 -2.317 375 2HH2 ARG 49 2HH2 ARG 49 16.923 -0.810 -1.671 376 H THR 50 H THR 50 9.185 0.269 -3.735 377 HA THR 50 HA THR 50 6.777 -1.109 -3.900 378 HB THR 50 HB THR 50 9.232 -1.627 -5.576 379 HG1 THR 50 1HG THR 50 7.381 0.568 -5.755 380 1HG2 THR 50 1HG2 THR 50 7.198 -2.940 -6.090 381 2HG2 THR 50 2HG2 THR 50 7.565 -1.794 -7.376 382 3HG2 THR 50 3HG2 THR 50 6.275 -1.445 -6.224 383 H TYR 51 H TYR 51 9.960 -2.252 -2.842 384 HA TYR 51 HA TYR 51 9.140 -4.985 -2.889 385 1HB TYR 51 2HB TYR 51 11.512 -4.519 -3.076 386 2HB TYR 51 1HB TYR 51 11.514 -3.669 -1.536 387 HD1 TYR 51 1HD TYR 51 12.259 -4.800 0.338 388 HD2 TYR 51 2HD TYR 51 10.740 -7.049 -2.937 389 HE1 TYR 51 1HE TYR 51 12.823 -6.881 1.511 390 HE2 TYR 51 2HE TYR 51 11.301 -9.134 -1.776 391 HH TYR 51 HH TYR 51 12.838 -9.880 -0.038 392 H ASP 52 H ASP 52 9.331 -2.462 -0.467 393 HA ASP 52 HA ASP 52 8.758 -4.065 1.812 394 1HB ASP 52 2HB ASP 52 8.223 -1.141 1.314 395 2HB ASP 52 1HB ASP 52 7.681 -1.915 2.798 396 H CYS 53 H CYS 53 6.451 -2.436 -0.301 397 HA CYS 53 HA CYS 53 4.127 -3.344 1.046 398 1HB CYS 53 2HB CYS 53 2.914 -3.056 -1.087 399 2HB CYS 53 1HB CYS 53 3.897 -1.676 -0.645 400 H GLN 54 H GLN 54 5.644 -4.564 -1.463 401 HA GLN 54 HA GLN 54 4.308 -7.076 -1.887 402 1HB GLN 54 2HB GLN 54 5.435 -6.305 -3.749 403 2HB GLN 54 1HB GLN 54 7.037 -6.470 -2.987 404 1HG GLN 54 2HG GLN 54 6.808 -8.861 -3.093 405 2HG GLN 54 1HG GLN 54 5.137 -8.712 -3.643 406 1HE2 GLN 54 1HE2 GLN 54 4.733 -8.034 -5.724 407 2HE2 GLN 54 2HE2 GLN 54 5.923 -8.079 -6.970 408 H ARG 55 H ARG 55 7.197 -6.639 -0.152 409 HA ARG 55 HA ARG 55 7.551 -9.417 0.724 410 1HB ARG 55 2HB ARG 55 9.298 -7.572 0.824 411 2HB ARG 55 1HB ARG 55 8.321 -6.815 2.063 412 1HG ARG 55 2HG ARG 55 8.646 -8.850 3.461 413 2HG ARG 55 1HG ARG 55 9.773 -9.436 2.229 414 1HD ARG 55 2HD ARG 55 10.995 -7.270 2.450 415 2HD ARG 55 1HD ARG 55 9.977 -6.914 3.835 416 HE ARG 55 HE ARG 55 11.197 -9.398 4.226 417 1HH1 ARG 55 1HH1 ARG 55 11.924 -5.944 4.180 418 2HH1 ARG 55 2HH1 ARG 55 13.350 -6.061 5.094 419 1HH2 ARG 55 1HH2 ARG 55 13.155 -9.610 5.407 420 2HH2 ARG 55 2HH2 ARG 55 14.107 -8.235 5.809 421 H THR 56 H THR 56 5.976 -6.566 2.473 422 HA THR 56 HA THR 56 5.354 -8.543 4.335 423 HB THR 56 HB THR 56 5.701 -6.236 5.070 424 HG1 THR 56 1HG THR 56 3.647 -7.803 5.803 425 1HG2 THR 56 1HG2 THR 56 3.067 -5.650 3.713 426 2HG2 THR 56 2HG2 THR 56 4.649 -5.059 3.205 427 3HG2 THR 56 3HG2 THR 56 3.965 -4.536 4.747 428 H CYS 57 H CYS 57 3.473 -7.315 1.622 429 HA CYS 57 HA CYS 57 1.159 -8.738 2.693 430 1HB CYS 57 2HB CYS 57 1.247 -6.750 0.446 431 2HB CYS 57 1HB CYS 57 -0.185 -7.452 1.181 432 H LEU 58 H LEU 58 3.499 -9.262 0.204 433 HA LEU 58 HA LEU 58 1.568 -10.982 -1.119 434 1HB LEU 58 2HB LEU 58 2.771 -9.421 -2.573 435 2HB LEU 58 1HB LEU 58 4.290 -10.158 -2.113 436 HG LEU 58 HG LEU 58 3.497 -12.297 -3.137 437 1HD1 LEU 58 1HD1 LEU 58 1.604 -12.227 -4.671 438 2HD1 LEU 58 2HD1 LEU 58 1.241 -10.585 -4.147 439 3HD1 LEU 58 3HD1 LEU 58 1.114 -11.925 -3.003 440 1HD2 LEU 58 1HD2 LEU 58 4.969 -10.791 -4.358 441 2HD2 LEU 58 2HD2 LEU 58 3.571 -9.904 -4.967 442 3HD2 LEU 58 3HD2 LEU 58 3.835 -11.582 -5.452 443 H TYR 59 H TYR 59 4.316 -11.159 0.933 444 HA TYR 59 HA TYR 59 4.810 -13.875 0.116 445 1HB TYR 59 2HB TYR 59 6.458 -12.020 1.842 446 2HB TYR 59 1HB TYR 59 6.827 -13.727 1.651 447 HD1 TYR 59 1HD TYR 59 8.011 -14.494 -0.206 448 HD2 TYR 59 2HD TYR 59 6.486 -10.539 -0.232 449 HE1 TYR 59 1HE TYR 59 9.271 -14.032 -2.253 450 HE2 TYR 59 2HE TYR 59 7.744 -10.057 -2.278 451 HH TYR 59 HH TYR 59 9.592 -10.841 -3.541 452 H THR 60 H THR 60 2.827 -14.700 1.089 453 HA THR 60 HA THR 60 2.940 -15.020 3.863 454 HB THR 60 HB THR 60 1.811 -12.840 3.724 455 HG1 THR 60 1HG THR 60 -0.467 -13.892 4.309 456 1HG2 THR 60 1HG2 THR 60 -0.347 -12.570 2.541 457 2HG2 THR 60 2HG2 THR 60 -0.161 -14.190 1.870 458 3HG2 THR 60 3HG2 THR 60 0.980 -12.921 1.430 Start of MODEL 2 1 1H LYS 1 1HT LYS 1 -3.450 -16.275 10.471 2 2H LYS 1 2HT LYS 1 -3.871 -17.189 9.117 3 3H LYS 1 3HT LYS 1 -5.071 -16.436 10.011 4 HA LYS 1 HA LYS 1 -4.296 -14.278 9.397 5 1HB LYS 1 2HB LYS 1 -2.097 -15.816 8.117 6 2HB LYS 1 1HB LYS 1 -2.623 -14.284 7.422 7 1HG LYS 1 2HG LYS 1 -1.627 -14.734 10.233 8 2HG LYS 1 1HG LYS 1 -0.784 -13.885 8.928 9 1HD LYS 1 2HD LYS 1 -2.587 -12.222 8.844 10 2HD LYS 1 1HD LYS 1 -3.426 -13.062 10.147 11 1HE LYS 1 2HE LYS 1 -1.452 -12.627 11.600 12 2HE LYS 1 1HE LYS 1 -0.758 -11.669 10.291 13 1HZ LYS 1 1HZ LYS 1 -2.747 -10.227 10.405 14 2HZ LYS 1 2HZ LYS 1 -1.887 -10.222 11.845 15 3HZ LYS 1 3HZ LYS 1 -3.315 -11.113 11.709 16 H ASP 2 H ASP 2 -5.891 -13.661 8.514 17 HA ASP 2 HA ASP 2 -6.658 -14.562 5.818 18 1HB ASP 2 2HB ASP 2 -8.291 -15.381 7.455 19 2HB ASP 2 1HB ASP 2 -8.454 -13.760 8.119 20 H ARG 3 H ARG 3 -5.840 -12.829 4.734 21 HA ARG 3 HA ARG 3 -5.402 -10.802 3.987 22 1HB ARG 3 2HB ARG 3 -7.571 -9.870 5.886 23 2HB ARG 3 1HB ARG 3 -6.617 -8.731 4.954 24 1HG ARG 3 2HG ARG 3 -8.530 -8.975 3.697 25 2HG ARG 3 1HG ARG 3 -7.402 -10.079 2.917 26 1HD ARG 3 2HD ARG 3 -9.552 -11.130 3.092 27 2HD ARG 3 1HD ARG 3 -8.432 -11.936 4.190 28 HE ARG 3 HE ARG 3 -9.717 -11.332 5.915 29 1HH1 ARG 3 1HH1 ARG 3 -10.724 -9.338 3.124 30 2HH1 ARG 3 2HH1 ARG 3 -11.909 -8.471 3.966 31 1HH2 ARG 3 1HH2 ARG 3 -11.379 -10.131 7.084 32 2HH2 ARG 3 2HH2 ARG 3 -12.314 -8.964 6.265 33 HA PRO 4 HA PRO 4 -1.891 -9.952 6.262 34 1HB PRO 4 2HB PRO 4 -2.056 -7.282 4.896 35 2HB PRO 4 1HB PRO 4 -0.668 -8.375 5.044 36 1HG PRO 4 2HG PRO 4 -2.031 -8.256 2.794 37 2HG PRO 4 1HG PRO 4 -1.521 -9.837 3.437 38 1HD PRO 4 2HD PRO 4 -4.223 -8.554 3.489 39 2HD PRO 4 1HD PRO 4 -3.789 -10.254 3.236 40 H SER 5 H SER 5 -1.249 -9.069 8.078 41 HA SER 5 HA SER 5 -2.642 -7.844 9.843 42 1HB SER 5 2HB SER 5 0.260 -7.189 9.430 43 2HB SER 5 1HB SER 5 -0.609 -7.100 10.966 44 HG SER 5 HG SER 5 0.378 -9.033 10.904 45 H LEU 6 H LEU 6 -0.472 -6.201 7.587 46 HA LEU 6 HA LEU 6 -1.874 -3.764 8.254 47 1HB LEU 6 2HB LEU 6 0.141 -2.459 7.463 48 2HB LEU 6 1HB LEU 6 0.243 -3.318 8.976 49 HG LEU 6 HG LEU 6 1.537 -5.105 7.737 50 1HD1 LEU 6 1HD1 LEU 6 0.869 -4.554 5.487 51 2HD1 LEU 6 2HD1 LEU 6 2.622 -4.417 5.667 52 3HD1 LEU 6 3HD1 LEU 6 1.619 -2.965 5.637 53 1HD2 LEU 6 1HD2 LEU 6 2.581 -3.484 9.206 54 2HD2 LEU 6 2HD2 LEU 6 2.680 -2.325 7.880 55 3HD2 LEU 6 3HD2 LEU 6 3.612 -3.823 7.818 56 H CYS 7 H CYS 7 -1.819 -5.863 5.913 57 HA CYS 7 HA CYS 7 -2.793 -3.752 4.204 58 1HB CYS 7 2HB CYS 7 -1.299 -6.147 3.127 59 2HB CYS 7 1HB CYS 7 -2.326 -5.161 2.088 60 H ASP 8 H ASP 8 -4.196 -5.060 6.021 61 HA ASP 8 HA ASP 8 -6.637 -5.539 4.428 62 1HB ASP 8 2HB ASP 8 -6.144 -6.996 6.457 63 2HB ASP 8 1HB ASP 8 -6.174 -5.550 7.451 64 H LEU 9 H LEU 9 -5.186 -3.136 4.266 65 HA LEU 9 HA LEU 9 -5.421 -1.267 6.326 66 1HB LEU 9 2HB LEU 9 -4.050 0.023 4.922 67 2HB LEU 9 1HB LEU 9 -3.487 -1.625 4.758 68 HG LEU 9 HG LEU 9 -5.367 -0.402 2.717 69 1HD1 LEU 9 1HD1 LEU 9 -3.453 1.043 2.824 70 2HD1 LEU 9 2HD1 LEU 9 -3.446 0.106 1.331 71 3HD1 LEU 9 3HD1 LEU 9 -2.376 -0.340 2.661 72 1HD2 LEU 9 1HD2 LEU 9 -4.421 -2.066 1.208 73 2HD2 LEU 9 2HD2 LEU 9 -5.106 -2.839 2.637 74 3HD2 LEU 9 3HD2 LEU 9 -3.361 -2.640 2.491 75 HA PRO 10 HA PRO 10 -8.661 0.831 4.215 76 1HB PRO 10 2HB PRO 10 -7.639 3.354 5.310 77 2HB PRO 10 1HB PRO 10 -9.178 2.552 5.634 78 1HG PRO 10 2HG PRO 10 -7.178 2.714 7.466 79 2HG PRO 10 1HG PRO 10 -8.342 1.376 7.412 80 1HD PRO 10 2HD PRO 10 -5.536 1.491 6.397 81 2HD PRO 10 1HD PRO 10 -6.392 0.163 7.214 82 H ALA 11 H ALA 11 -8.167 0.808 2.132 83 HA ALA 11 HA ALA 11 -5.722 2.155 0.906 84 1HB ALA 11 1HB ALA 11 -8.317 0.989 -0.280 85 2HB ALA 11 2HB ALA 11 -6.743 0.192 -0.366 86 3HB ALA 11 3HB ALA 11 -7.015 1.698 -1.237 87 H ASP 12 H ASP 12 -5.700 3.908 1.721 88 HA ASP 12 HA ASP 12 -7.870 5.789 1.138 89 1HB ASP 12 2HB ASP 12 -8.056 5.296 3.537 90 2HB ASP 12 1HB ASP 12 -6.357 5.699 3.753 91 H SER 13 H SER 13 -7.582 7.706 0.410 92 HA SER 13 HA SER 13 -4.895 8.093 -0.769 93 1HB SER 13 2HB SER 13 -6.082 9.601 -2.261 94 2HB SER 13 1HB SER 13 -6.805 7.991 -2.295 95 HG SER 13 HG SER 13 -7.762 10.383 -1.404 96 H GLY 14 H GLY 14 -6.798 9.471 1.708 97 1HA GLY 14 2HA GLY 14 -5.796 10.853 3.301 98 2HA GLY 14 1HA GLY 14 -4.539 11.234 2.141 99 H SER 15 H SER 15 -5.401 13.269 3.529 100 HA SER 15 HA SER 15 -7.590 14.619 2.081 101 1HB SER 15 2HB SER 15 -6.825 14.841 4.994 102 2HB SER 15 1HB SER 15 -8.144 15.679 4.185 103 HG SER 15 HG SER 15 -8.646 13.274 3.593 104 H GLY 16 H GLY 16 -4.545 14.635 1.710 105 1HA GLY 16 2HA GLY 16 -3.637 16.989 3.079 106 2HA GLY 16 1HA GLY 16 -2.688 15.877 2.123 107 H THR 17 H THR 17 -2.107 18.175 1.897 108 HA THR 17 HA THR 17 -3.303 19.550 -0.527 109 HB THR 17 HB THR 17 -2.946 20.877 1.653 110 HG1 THR 17 1HG THR 17 -1.872 22.604 0.477 111 1HG2 THR 17 1HG2 THR 17 -0.657 21.656 2.093 112 2HG2 THR 17 2HG2 THR 17 -0.048 20.578 0.837 113 3HG2 THR 17 3HG2 THR 17 -0.780 19.906 2.296 114 H LYS 18 H LYS 18 -0.792 17.347 0.115 115 HA LYS 18 HA LYS 18 1.211 18.402 -1.775 116 1HB LYS 18 2HB LYS 18 1.809 17.923 0.612 117 2HB LYS 18 1HB LYS 18 1.054 16.356 0.466 118 1HG LYS 18 2HG LYS 18 2.764 15.818 -1.308 119 2HG LYS 18 1HG LYS 18 3.569 17.327 -0.873 120 1HD LYS 18 2HD LYS 18 3.883 16.559 1.394 121 2HD LYS 18 1HD LYS 18 2.947 15.097 1.063 122 1HE LYS 18 2HE LYS 18 4.644 14.449 -0.614 123 2HE LYS 18 1HE LYS 18 5.589 15.868 -0.168 124 1HZ LYS 18 1HZ LYS 18 5.943 14.986 2.011 125 2HZ LYS 18 2HZ LYS 18 6.299 13.747 0.922 126 3HZ LYS 18 3HZ LYS 18 4.856 13.725 1.776 127 H ALA 19 H ALA 19 1.956 16.879 -3.172 128 HA ALA 19 HA ALA 19 0.267 14.483 -3.669 129 1HB ALA 19 1HB ALA 19 0.153 16.119 -5.525 130 2HB ALA 19 2HB ALA 19 0.967 14.632 -6.001 131 3HB ALA 19 3HB ALA 19 1.910 16.079 -5.641 132 H GLU 20 H GLU 20 1.221 12.659 -3.289 133 HA GLU 20 HA GLU 20 4.112 12.620 -3.313 134 1HB GLU 20 2HB GLU 20 3.431 13.186 -1.066 135 2HB GLU 20 1HB GLU 20 2.345 11.805 -1.017 136 1HG GLU 20 2HG GLU 20 4.274 11.305 0.247 137 2HG GLU 20 1HG GLU 20 4.305 10.334 -1.221 138 H LYS 21 H LYS 21 4.860 10.665 -4.094 139 HA LYS 21 HA LYS 21 2.896 8.733 -5.118 140 1HB LYS 21 2HB LYS 21 4.540 9.905 -6.663 141 2HB LYS 21 1HB LYS 21 5.835 9.284 -5.677 142 1HG LYS 21 2HG LYS 21 3.923 7.479 -7.163 143 2HG LYS 21 1HG LYS 21 5.360 8.153 -7.918 144 1HD LYS 21 2HD LYS 21 6.712 7.054 -6.093 145 2HD LYS 21 1HD LYS 21 5.226 6.265 -5.561 146 1HE LYS 21 2HE LYS 21 6.504 4.762 -6.991 147 2HE LYS 21 1HE LYS 21 5.001 5.228 -7.788 148 1HZ LYS 21 1HZ LYS 21 7.669 6.427 -8.323 149 2HZ LYS 21 2HZ LYS 21 6.245 6.836 -9.123 150 3HZ LYS 21 3HZ LYS 21 6.902 5.311 -9.325 151 H ARG 22 H ARG 22 2.327 7.312 -3.569 152 HA ARG 22 HA ARG 22 4.637 6.182 -2.429 153 1HB ARG 22 2HB ARG 22 1.881 6.604 -1.342 154 2HB ARG 22 1HB ARG 22 3.086 5.611 -0.534 155 1HG ARG 22 2HG ARG 22 3.488 8.506 -1.266 156 2HG ARG 22 1HG ARG 22 2.928 7.942 0.309 157 1HD ARG 22 2HD ARG 22 4.984 6.782 0.698 158 2HD ARG 22 1HD ARG 22 5.526 7.079 -0.957 159 HE ARG 22 HE ARG 22 5.661 9.414 -0.403 160 1HH1 ARG 22 1HH1 ARG 22 5.380 7.307 2.453 161 2HH1 ARG 22 2HH1 ARG 22 6.195 8.394 3.481 162 1HH2 ARG 22 1HH2 ARG 22 6.732 10.909 1.026 163 2HH2 ARG 22 2HH2 ARG 22 7.021 10.482 2.629 164 H ILE 23 H ILE 23 3.575 3.652 -1.508 165 HA ILE 23 HA ILE 23 1.743 2.806 -3.597 166 HB ILE 23 HB ILE 23 4.051 2.217 -4.399 167 1HG1 ILE 23 2HG1 ILE 23 2.529 -0.257 -3.586 168 2HG1 ILE 23 1HG1 ILE 23 2.126 0.756 -4.972 169 1HG2 ILE 23 1HG2 ILE 23 4.191 0.518 -1.933 170 2HG2 ILE 23 2HG2 ILE 23 5.210 1.928 -2.285 171 3HG2 ILE 23 3HG2 ILE 23 5.325 0.457 -3.268 172 1HD1 ILE 23 1HD1 ILE 23 3.368 -1.225 -5.650 173 2HD1 ILE 23 2HD1 ILE 23 4.697 -0.765 -4.584 174 3HD1 ILE 23 3HD1 ILE 23 4.290 0.246 -5.975 175 H TYR 24 H TYR 24 0.376 1.064 -2.927 176 HA TYR 24 HA TYR 24 0.910 -0.096 -0.382 177 1HB TYR 24 2HB TYR 24 -1.339 0.313 0.563 178 2HB TYR 24 1HB TYR 24 -0.448 1.792 0.351 179 HD1 TYR 24 1HD TYR 24 -2.540 2.978 0.733 180 HD2 TYR 24 2HD TYR 24 -2.149 0.382 -2.612 181 HE1 TYR 24 1HE TYR 24 -4.541 3.974 -0.261 182 HE2 TYR 24 2HE TYR 24 -4.155 1.386 -3.621 183 HH TYR 24 HH TYR 24 -5.540 4.268 -2.547 184 H TYR 25 H TYR 25 -1.012 -1.885 0.044 185 HA TYR 25 HA TYR 25 -0.671 -3.423 -2.175 186 1HB TYR 25 2HB TYR 25 -0.365 -4.113 0.054 187 2HB TYR 25 1HB TYR 25 -2.048 -3.814 0.431 188 HD1 TYR 25 1HD TYR 25 0.109 -5.844 -1.815 189 HD2 TYR 25 2HD TYR 25 -3.526 -5.600 0.372 190 HE1 TYR 25 1HE TYR 25 -0.312 -8.220 -2.258 191 HE2 TYR 25 2HE TYR 25 -3.962 -7.971 -0.078 192 HH TYR 25 HH TYR 25 -1.557 -10.038 -1.273 193 H ASN 26 H ASN 26 -2.368 -4.035 -3.620 194 HA ASN 26 HA ASN 26 -5.126 -3.188 -3.062 195 1HB ASN 26 2HB ASN 26 -4.168 -2.465 -5.257 196 2HB ASN 26 1HB ASN 26 -3.858 -4.155 -5.643 197 1HD2 ASN 26 1HD2 ASN 26 -6.293 -1.680 -5.313 198 2HD2 ASN 26 2HD2 ASN 26 -7.561 -2.581 -6.041 199 H SER 27 H SER 27 -6.425 -4.510 -2.590 200 HA SER 27 HA SER 27 -5.407 -6.984 -1.863 201 1HB SER 27 2HB SER 27 -8.266 -6.112 -1.429 202 2HB SER 27 1HB SER 27 -7.524 -7.522 -0.670 203 HG SER 27 HG SER 27 -6.485 -6.309 0.643 204 H ALA 28 H ALA 28 -7.771 -6.053 -4.263 205 HA ALA 28 HA ALA 28 -8.858 -8.637 -4.754 206 1HB ALA 28 1HB ALA 28 -9.948 -7.544 -6.658 207 2HB ALA 28 2HB ALA 28 -8.963 -6.108 -6.383 208 3HB ALA 28 3HB ALA 28 -10.131 -6.622 -5.164 209 H ARG 29 H ARG 29 -6.562 -6.556 -6.218 210 HA ARG 29 HA ARG 29 -5.836 -8.427 -8.358 211 1HB ARG 29 2HB ARG 29 -4.627 -5.783 -7.609 212 2HB ARG 29 1HB ARG 29 -3.817 -6.853 -8.726 213 1HG ARG 29 2HG ARG 29 -4.993 -5.131 -9.911 214 2HG ARG 29 1HG ARG 29 -5.746 -6.687 -10.242 215 1HD ARG 29 2HD ARG 29 -7.641 -6.152 -9.046 216 2HD ARG 29 1HD ARG 29 -6.807 -4.932 -8.075 217 HE ARG 29 HE ARG 29 -6.638 -4.049 -10.629 218 1HH1 ARG 29 1HH1 ARG 29 -9.419 -5.056 -8.750 219 2HH1 ARG 29 2HH1 ARG 29 -10.391 -3.698 -9.103 220 1HH2 ARG 29 1HH2 ARG 29 -7.976 -2.244 -11.276 221 2HH2 ARG 29 2HH2 ARG 29 -9.529 -2.047 -10.625 222 H LYS 30 H LYS 30 -5.074 -8.154 -5.184 223 HA LYS 30 HA LYS 30 -3.380 -8.721 -3.759 224 1HB LYS 30 2HB LYS 30 -4.172 -10.959 -4.460 225 2HB LYS 30 1HB LYS 30 -3.086 -10.933 -5.835 226 1HG LYS 30 2HG LYS 30 -1.167 -11.071 -4.350 227 2HG LYS 30 1HG LYS 30 -2.229 -10.990 -2.944 228 1HD LYS 30 2HD LYS 30 -3.198 -13.108 -3.486 229 2HD LYS 30 1HD LYS 30 -2.357 -13.152 -5.038 230 1HE LYS 30 2HE LYS 30 -0.221 -13.275 -3.915 231 2HE LYS 30 1HE LYS 30 -1.006 -13.134 -2.344 232 1HZ LYS 30 1HZ LYS 30 -0.361 -15.422 -3.068 233 2HZ LYS 30 2HZ LYS 30 -1.628 -15.363 -4.208 234 3HZ LYS 30 3HZ LYS 30 -1.946 -15.223 -2.555 235 H GLN 31 H GLN 31 -2.731 -6.912 -5.335 236 HA GLN 31 HA GLN 31 0.311 -6.936 -5.721 237 1HB GLN 31 2HB GLN 31 0.384 -6.208 -7.885 238 2HB GLN 31 1HB GLN 31 -0.911 -7.376 -7.934 239 1HG GLN 31 2HG GLN 31 -2.555 -5.570 -7.933 240 2HG GLN 31 1HG GLN 31 -1.256 -4.380 -7.836 241 1HE2 GLN 31 1HE2 GLN 31 -3.251 -4.607 -9.942 242 2HE2 GLN 31 2HE2 GLN 31 -2.392 -4.946 -11.386 243 H CYS 32 H CYS 32 1.590 -5.051 -5.433 244 HA CYS 32 HA CYS 32 0.206 -3.308 -3.868 245 1HB CYS 32 2HB CYS 32 3.031 -3.634 -4.817 246 2HB CYS 32 1HB CYS 32 2.516 -2.324 -3.767 247 H LEU 33 H LEU 33 -0.243 -1.118 -4.653 248 HA LEU 33 HA LEU 33 0.800 -0.193 -7.212 249 1HB LEU 33 2HB LEU 33 -1.435 0.301 -8.083 250 2HB LEU 33 1HB LEU 33 -1.103 -1.411 -8.007 251 HG LEU 33 HG LEU 33 -2.559 -1.479 -5.925 252 1HD1 LEU 33 1HD1 LEU 33 -2.545 0.899 -5.361 253 2HD1 LEU 33 2HD1 LEU 33 -4.187 0.308 -5.630 254 3HD1 LEU 33 3HD1 LEU 33 -3.383 1.267 -6.870 255 1HD2 LEU 33 1HD2 LEU 33 -4.621 -1.487 -7.232 256 2HD2 LEU 33 2HD2 LEU 33 -3.296 -2.270 -8.091 257 3HD2 LEU 33 3HD2 LEU 33 -3.793 -0.636 -8.537 258 H ARG 34 H ARG 34 0.680 1.703 -7.668 259 HA ARG 34 HA ARG 34 1.103 3.433 -5.458 260 1HB ARG 34 2HB ARG 34 2.525 3.379 -7.475 261 2HB ARG 34 1HB ARG 34 1.178 3.867 -8.459 262 1HG ARG 34 2HG ARG 34 2.465 5.630 -6.363 263 2HG ARG 34 1HG ARG 34 2.947 5.601 -8.048 264 1HD ARG 34 2HD ARG 34 0.363 6.134 -8.414 265 2HD ARG 34 1HD ARG 34 0.506 6.726 -6.754 266 HE ARG 34 HE ARG 34 2.088 7.717 -9.041 267 1HH1 ARG 34 1HH1 ARG 34 0.602 8.373 -5.871 268 2HH1 ARG 34 2HH1 ARG 34 0.935 10.046 -5.958 269 1HH2 ARG 34 1HH2 ARG 34 2.544 9.971 -9.087 270 2HH2 ARG 34 2HH2 ARG 34 2.100 10.979 -7.803 271 H PHE 35 H PHE 35 0.034 5.051 -4.908 272 HA PHE 35 HA PHE 35 -2.379 5.299 -6.117 273 1HB PHE 35 2HB PHE 35 -3.647 5.825 -3.889 274 2HB PHE 35 1HB PHE 35 -2.993 4.221 -4.095 275 HD1 PHE 35 1HD PHE 35 -3.444 6.788 -1.861 276 HD2 PHE 35 2HD PHE 35 -0.438 4.047 -3.116 277 HE1 PHE 35 1HE PHE 35 -2.346 6.991 0.318 278 HE2 PHE 35 2HE PHE 35 0.664 4.256 -0.934 279 HZ PHE 35 HZ PHE 35 -0.294 5.723 0.790 280 H ASP 36 H ASP 36 -3.285 8.009 -5.165 281 HA ASP 36 HA ASP 36 -0.840 9.459 -5.107 282 1HB ASP 36 2HB ASP 36 -3.615 10.198 -5.985 283 2HB ASP 36 1HB ASP 36 -2.458 11.461 -5.599 284 H TYR 37 H TYR 37 -0.392 9.210 -3.011 285 HA TYR 37 HA TYR 37 -2.209 9.853 -0.856 286 1HB TYR 37 2HB TYR 37 -0.429 8.143 -0.727 287 2HB TYR 37 1HB TYR 37 0.776 9.360 -1.045 288 HD1 TYR 37 1HD TYR 37 -1.977 8.612 1.403 289 HD2 TYR 37 2HD TYR 37 1.888 10.297 0.819 290 HE1 TYR 37 1HE TYR 37 -1.779 8.973 3.828 291 HE2 TYR 37 2HE TYR 37 2.093 10.666 3.240 292 HH TYR 37 HH TYR 37 0.751 10.869 5.233 293 H THR 38 H THR 38 -2.495 11.944 -0.008 294 HA THR 38 HA THR 38 -1.024 13.862 -1.441 295 HB THR 38 HB THR 38 -2.934 15.303 -0.450 296 HG1 THR 38 1HG THR 38 -4.451 13.028 -0.331 297 1HG2 THR 38 1HG2 THR 38 -4.453 14.474 -2.206 298 2HG2 THR 38 2HG2 THR 38 -3.473 13.015 -2.358 299 3HG2 THR 38 3HG2 THR 38 -2.793 14.582 -2.794 300 H GLY 39 H GLY 39 0.306 12.668 0.703 301 1HA GLY 39 2HA GLY 39 1.638 13.120 2.467 302 2HA GLY 39 1HA GLY 39 1.365 14.785 2.045 303 H GLN 40 H GLN 40 -1.690 14.330 3.080 304 HA GLN 40 HA GLN 40 -0.851 14.323 5.868 305 1HB GLN 40 2HB GLN 40 -1.033 16.666 5.026 306 2HB GLN 40 1HB GLN 40 -2.712 16.360 4.613 307 1HG GLN 40 2HG GLN 40 -2.684 17.536 6.671 308 2HG GLN 40 1HG GLN 40 -3.124 15.860 7.023 309 1HE2 GLN 40 1HE2 GLN 40 -2.401 16.019 9.151 310 2HE2 GLN 40 2HE2 GLN 40 -0.723 16.051 9.551 311 H GLY 41 H GLY 41 -2.471 12.973 7.095 312 1HA GLY 41 2HA GLY 41 -4.688 12.600 7.588 313 2HA GLY 41 1HA GLY 41 -5.135 13.432 6.112 314 H GLY 42 H GLY 42 -3.083 10.599 6.579 315 1HA GLY 42 2HA GLY 42 -4.844 9.249 4.681 316 2HA GLY 42 1HA GLY 42 -3.093 9.087 4.690 317 H ASN 43 H ASN 43 -3.083 6.872 4.969 318 HA ASN 43 HA ASN 43 -4.285 5.622 7.330 319 1HB ASN 43 2HB ASN 43 -4.201 3.718 5.911 320 2HB ASN 43 1HB ASN 43 -5.075 4.948 5.013 321 1HD2 ASN 43 1HD2 ASN 43 -3.647 2.600 4.081 322 2HD2 ASN 43 2HD2 ASN 43 -2.414 3.165 2.996 323 H GLU 44 H GLU 44 -3.100 3.967 8.014 324 HA GLU 44 HA GLU 44 -0.373 4.672 8.872 325 1HB GLU 44 2HB GLU 44 -2.051 2.233 9.347 326 2HB GLU 44 1HB GLU 44 -0.624 2.750 10.233 327 1HG GLU 44 2HG GLU 44 -3.312 4.105 10.175 328 2HG GLU 44 1HG GLU 44 -2.586 3.230 11.522 329 H ASN 45 H ASN 45 -1.751 2.669 6.435 330 HA ASN 45 HA ASN 45 0.713 1.212 6.146 331 1HB ASN 45 2HB ASN 45 -1.451 0.130 5.701 332 2HB ASN 45 1HB ASN 45 -1.761 1.281 4.407 333 1HD2 ASN 45 1HD2 ASN 45 -0.134 -1.541 5.338 334 2HD2 ASN 45 2HD2 ASN 45 0.546 -1.929 3.793 335 H ASN 46 H ASN 46 2.213 3.643 5.294 336 HA ASN 46 HA ASN 46 1.573 3.511 2.679 337 1HB ASN 46 2HB ASN 46 1.299 5.478 4.136 338 2HB ASN 46 1HB ASN 46 2.995 5.369 4.581 339 1HD2 ASN 46 1HD2 ASN 46 0.722 6.222 2.202 340 2HD2 ASN 46 2HD2 ASN 46 1.813 7.048 1.142 341 H PHE 47 H PHE 47 3.067 2.788 1.240 342 HA PHE 47 HA PHE 47 5.622 2.194 2.347 343 1HB PHE 47 2HB PHE 47 4.359 1.095 -0.152 344 2HB PHE 47 1HB PHE 47 5.936 0.623 0.480 345 HD1 PHE 47 1HD PHE 47 2.616 -0.252 0.354 346 HD2 PHE 47 2HD PHE 47 5.849 0.028 3.077 347 HE1 PHE 47 1HE PHE 47 1.511 -1.870 1.826 348 HE2 PHE 47 2HE PHE 47 4.759 -1.591 4.554 349 HZ PHE 47 HZ PHE 47 2.580 -2.541 3.921 350 H ARG 48 H ARG 48 7.366 3.145 1.414 351 HA ARG 48 HA ARG 48 7.117 5.150 -0.810 352 1HB ARG 48 2HB ARG 48 7.935 5.904 1.430 353 2HB ARG 48 1HB ARG 48 9.285 4.802 1.241 354 1HG ARG 48 2HG ARG 48 9.909 7.099 0.688 355 2HG ARG 48 1HG ARG 48 10.056 6.041 -0.708 356 1HD ARG 48 2HD ARG 48 8.047 6.966 -1.709 357 2HD ARG 48 1HD ARG 48 7.637 7.837 -0.243 358 HE ARG 48 HE ARG 48 10.094 8.725 -0.892 359 1HH1 ARG 48 1HH1 ARG 48 7.110 8.552 -2.872 360 2HH1 ARG 48 2HH1 ARG 48 7.298 10.116 -3.500 361 1HH2 ARG 48 1HH2 ARG 48 10.292 10.904 -1.802 362 2HH2 ARG 48 2HH2 ARG 48 9.130 11.482 -2.888 363 H ARG 49 H ARG 49 8.251 1.855 -0.221 364 HA ARG 49 HA ARG 49 9.655 2.130 -2.672 365 1HB ARG 49 2HB ARG 49 11.313 2.197 -0.902 366 2HB ARG 49 1HB ARG 49 10.617 0.787 -0.133 367 1HG ARG 49 2HG ARG 49 11.406 -0.644 -1.865 368 2HG ARG 49 1HG ARG 49 11.880 0.736 -2.859 369 1HD ARG 49 2HD ARG 49 13.828 -0.270 -1.802 370 2HD ARG 49 1HD ARG 49 13.562 1.358 -1.192 371 HE ARG 49 HE ARG 49 12.708 -1.029 0.305 372 1HH1 ARG 49 1HH1 ARG 49 14.434 2.089 0.211 373 2HH1 ARG 49 2HH1 ARG 49 14.888 2.027 1.850 374 1HH2 ARG 49 1HH2 ARG 49 13.336 -1.074 2.559 375 2HH2 ARG 49 2HH2 ARG 49 14.283 0.192 3.196 376 H THR 50 H THR 50 9.256 0.366 -4.012 377 HA THR 50 HA THR 50 6.902 -1.017 -3.910 378 HB THR 50 HB THR 50 9.286 -1.834 -5.557 379 HG1 THR 50 1HG THR 50 7.488 0.257 -6.265 380 1HG2 THR 50 1HG2 THR 50 7.204 -3.154 -5.817 381 2HG2 THR 50 2HG2 THR 50 7.555 -2.220 -7.269 382 3HG2 THR 50 3HG2 THR 50 6.312 -1.668 -6.144 383 H TYR 51 H TYR 51 10.185 -2.434 -3.522 384 HA TYR 51 HA TYR 51 9.353 -5.048 -3.003 385 1HB TYR 51 2HB TYR 51 11.650 -4.664 -3.582 386 2HB TYR 51 1HB TYR 51 11.895 -3.611 -2.189 387 HD1 TYR 51 1HD TYR 51 13.017 -4.512 -0.402 388 HD2 TYR 51 2HD TYR 51 10.834 -7.122 -2.946 389 HE1 TYR 51 1HE TYR 51 13.776 -6.422 0.926 390 HE2 TYR 51 2HE TYR 51 11.597 -9.048 -1.626 391 HH TYR 51 HH TYR 51 13.330 -9.651 -0.112 392 H ASP 52 H ASP 52 9.652 -2.308 -0.899 393 HA ASP 52 HA ASP 52 9.508 -3.813 1.536 394 1HB ASP 52 2HB ASP 52 10.238 -1.443 1.492 395 2HB ASP 52 1HB ASP 52 8.610 -0.964 1.029 396 H CYS 53 H CYS 53 7.044 -2.345 -0.435 397 HA CYS 53 HA CYS 53 4.713 -3.188 0.987 398 1HB CYS 53 2HB CYS 53 4.694 -1.646 -0.956 399 2HB CYS 53 1HB CYS 53 4.994 -3.024 -2.012 400 H GLN 54 H GLN 54 6.248 -4.505 -1.503 401 HA GLN 54 HA GLN 54 5.112 -7.135 -1.909 402 1HB GLN 54 2HB GLN 54 6.538 -6.331 -3.564 403 2HB GLN 54 1HB GLN 54 7.986 -6.484 -2.528 404 1HG GLN 54 2HG GLN 54 7.471 -8.967 -2.553 405 2HG GLN 54 1HG GLN 54 6.270 -8.619 -3.800 406 1HE2 GLN 54 1HE2 GLN 54 9.607 -8.947 -3.081 407 2HE2 GLN 54 2HE2 GLN 54 10.200 -8.705 -4.676 408 H ARG 55 H ARG 55 7.787 -6.367 0.030 409 HA ARG 55 HA ARG 55 8.181 -9.012 1.030 410 1HB ARG 55 2HB ARG 55 9.996 -7.372 0.973 411 2HB ARG 55 1HB ARG 55 9.122 -6.346 2.092 412 1HG ARG 55 2HG ARG 55 9.430 -7.908 3.864 413 2HG ARG 55 1HG ARG 55 10.106 -9.108 2.753 414 1HD ARG 55 2HD ARG 55 11.965 -7.654 2.262 415 2HD ARG 55 1HD ARG 55 11.285 -6.386 3.262 416 HE ARG 55 HE ARG 55 11.573 -7.897 5.166 417 1HH1 ARG 55 1HH1 ARG 55 13.512 -8.625 2.258 418 2HH1 ARG 55 2HH1 ARG 55 14.858 -9.177 3.132 419 1HH2 ARG 55 1HH2 ARG 55 13.468 -8.650 6.363 420 2HH2 ARG 55 2HH2 ARG 55 14.860 -9.152 5.525 421 H THR 56 H THR 56 6.377 -6.074 2.432 422 HA THR 56 HA THR 56 5.822 -7.853 4.430 423 HB THR 56 HB THR 56 6.104 -5.583 5.036 424 HG1 THR 56 1HG THR 56 4.697 -6.862 6.258 425 1HG2 THR 56 1HG2 THR 56 3.602 -5.008 3.468 426 2HG2 THR 56 2HG2 THR 56 5.237 -4.511 3.045 427 3HG2 THR 56 3HG2 THR 56 4.462 -3.856 4.488 428 H CYS 57 H CYS 57 3.769 -6.771 1.710 429 HA CYS 57 HA CYS 57 1.457 -8.090 2.900 430 1HB CYS 57 2HB CYS 57 1.468 -6.147 0.578 431 2HB CYS 57 1HB CYS 57 0.089 -6.722 1.515 432 H LEU 58 H LEU 58 3.677 -8.513 0.437 433 HA LEU 58 HA LEU 58 1.893 -10.323 -0.992 434 1HB LEU 58 2HB LEU 58 3.075 -8.544 -2.252 435 2HB LEU 58 1HB LEU 58 4.604 -9.228 -1.779 436 HG LEU 58 HG LEU 58 3.894 -9.613 -4.164 437 1HD1 LEU 58 1HD1 LEU 58 4.425 -12.085 -2.548 438 2HD1 LEU 58 2HD1 LEU 58 5.626 -10.991 -3.238 439 3HD1 LEU 58 3HD1 LEU 58 4.584 -11.940 -4.299 440 1HD2 LEU 58 1HD2 LEU 58 1.533 -9.999 -3.796 441 2HD2 LEU 58 2HD2 LEU 58 1.895 -11.480 -2.903 442 3HD2 LEU 58 3HD2 LEU 58 2.264 -11.372 -4.627 443 H TYR 59 H TYR 59 4.579 -10.364 1.200 444 HA TYR 59 HA TYR 59 4.976 -13.162 0.593 445 1HB TYR 59 2HB TYR 59 6.546 -11.312 2.394 446 2HB TYR 59 1HB TYR 59 6.847 -13.038 2.271 447 HD1 TYR 59 1HD TYR 59 8.861 -10.872 1.761 448 HD2 TYR 59 2HD TYR 59 6.204 -12.891 -0.865 449 HE1 TYR 59 1HE TYR 59 10.398 -10.458 -0.106 450 HE2 TYR 59 2HE TYR 59 7.726 -12.481 -2.733 451 HH TYR 59 HH TYR 59 10.866 -11.593 -2.340 452 H THR 60 H THR 60 2.998 -14.074 1.475 453 HA THR 60 HA THR 60 2.853 -14.555 4.107 454 HB THR 60 HB THR 60 2.283 -12.174 4.471 455 HG1 THR 60 1HG THR 60 -0.275 -12.952 4.846 456 1HG2 THR 60 1HG2 THR 60 0.263 -11.139 3.495 457 2HG2 THR 60 2HG2 THR 60 -0.009 -12.591 2.533 458 3HG2 THR 60 3HG2 THR 60 1.416 -11.599 2.239 Start of MODEL 3 1 1H LYS 1 1HT LYS 1 -3.880 -13.707 7.565 2 2H LYS 1 2HT LYS 1 -3.061 -14.863 8.429 3 3H LYS 1 3HT LYS 1 -4.772 -14.864 8.422 4 HA LYS 1 HA LYS 1 -2.993 -15.085 6.071 5 1HB LYS 1 2HB LYS 1 -3.529 -17.486 5.881 6 2HB LYS 1 1HB LYS 1 -2.863 -17.190 7.482 7 1HG LYS 1 2HG LYS 1 -5.061 -17.223 8.464 8 2HG LYS 1 1HG LYS 1 -5.808 -17.354 6.875 9 1HD LYS 1 2HD LYS 1 -4.658 -19.530 6.582 10 2HD LYS 1 1HD LYS 1 -4.058 -19.392 8.239 11 1HE LYS 1 2HE LYS 1 -6.335 -19.313 9.073 12 2HE LYS 1 1HE LYS 1 -6.959 -19.389 7.428 13 1HZ LYS 1 1HZ LYS 1 -5.398 -21.486 8.822 14 2HZ LYS 1 2HZ LYS 1 -5.905 -21.584 7.219 15 3HZ LYS 1 3HZ LYS 1 -7.051 -21.527 8.488 16 H ASP 2 H ASP 2 -6.291 -14.923 7.233 17 HA ASP 2 HA ASP 2 -7.300 -15.097 4.540 18 1HB ASP 2 2HB ASP 2 -8.801 -15.844 6.335 19 2HB ASP 2 1HB ASP 2 -8.628 -14.294 7.149 20 H ARG 3 H ARG 3 -7.408 -12.259 6.867 21 HA ARG 3 HA ARG 3 -6.616 -10.773 4.567 22 1HB ARG 3 2HB ARG 3 -7.612 -8.881 5.812 23 2HB ARG 3 1HB ARG 3 -8.804 -10.131 5.496 24 1HG ARG 3 2HG ARG 3 -8.626 -10.909 7.791 25 2HG ARG 3 1HG ARG 3 -7.375 -9.707 8.113 26 1HD ARG 3 2HD ARG 3 -9.570 -8.992 8.932 27 2HD ARG 3 1HD ARG 3 -8.944 -7.919 7.683 28 HE ARG 3 HE ARG 3 -10.531 -9.823 6.425 29 1HH1 ARG 3 1HH1 ARG 3 -11.012 -7.269 8.813 30 2HH1 ARG 3 2HH1 ARG 3 -12.569 -6.847 8.264 31 1HH2 ARG 3 1HH2 ARG 3 -12.592 -9.285 5.664 32 2HH2 ARG 3 2HH2 ARG 3 -13.520 -8.035 6.376 33 HA PRO 4 HA PRO 4 -2.716 -10.363 6.648 34 1HB PRO 4 2HB PRO 4 -2.764 -7.714 5.341 35 2HB PRO 4 1HB PRO 4 -1.537 -8.991 5.272 36 1HG PRO 4 2HG PRO 4 -3.093 -8.620 3.189 37 2HG PRO 4 1HG PRO 4 -2.787 -10.277 3.759 38 1HD PRO 4 2HD PRO 4 -5.163 -8.522 4.246 39 2HD PRO 4 1HD PRO 4 -5.111 -10.230 3.741 40 H SER 5 H SER 5 -1.836 -9.376 8.358 41 HA SER 5 HA SER 5 -3.134 -8.047 10.069 42 1HB SER 5 2HB SER 5 -0.233 -7.450 9.558 43 2HB SER 5 1HB SER 5 -1.061 -7.290 11.111 44 HG SER 5 HG SER 5 -0.287 -9.251 11.242 45 H LEU 6 H LEU 6 -0.898 -6.471 7.640 46 HA LEU 6 HA LEU 6 -2.208 -3.906 8.077 47 1HB LEU 6 2HB LEU 6 -0.070 -2.810 7.464 48 2HB LEU 6 1HB LEU 6 -0.037 -3.725 8.946 49 HG LEU 6 HG LEU 6 1.098 -5.584 7.594 50 1HD1 LEU 6 1HD1 LEU 6 2.323 -4.895 5.607 51 2HD1 LEU 6 2HD1 LEU 6 1.510 -3.330 5.654 52 3HD1 LEU 6 3HD1 LEU 6 0.577 -4.796 5.368 53 1HD2 LEU 6 1HD2 LEU 6 3.298 -4.536 7.817 54 2HD2 LEU 6 2HD2 LEU 6 2.275 -4.218 9.220 55 3HD2 LEU 6 3HD2 LEU 6 2.526 -2.961 8.006 56 H CYS 7 H CYS 7 -1.901 -6.213 5.825 57 HA CYS 7 HA CYS 7 -1.728 -4.376 3.736 58 1HB CYS 7 2HB CYS 7 -2.373 -7.280 3.405 59 2HB CYS 7 1HB CYS 7 -1.821 -6.198 2.126 60 H ASP 8 H ASP 8 -4.177 -5.301 5.557 61 HA ASP 8 HA ASP 8 -6.482 -5.167 3.759 62 1HB ASP 8 2HB ASP 8 -6.390 -7.053 5.428 63 2HB ASP 8 1HB ASP 8 -6.331 -5.870 6.727 64 H LEU 9 H LEU 9 -4.943 -3.026 4.050 65 HA LEU 9 HA LEU 9 -5.099 -1.351 6.284 66 1HB LEU 9 2HB LEU 9 -3.670 -0.035 4.757 67 2HB LEU 9 1HB LEU 9 -3.104 -1.666 5.027 68 HG LEU 9 HG LEU 9 -4.486 -2.084 2.765 69 1HD1 LEU 9 1HD1 LEU 9 -4.132 -0.324 1.153 70 2HD1 LEU 9 2HD1 LEU 9 -3.531 0.724 2.435 71 3HD1 LEU 9 3HD1 LEU 9 -5.204 0.180 2.464 72 1HD2 LEU 9 1HD2 LEU 9 -2.185 -2.717 3.091 73 2HD2 LEU 9 2HD2 LEU 9 -1.668 -1.046 2.870 74 3HD2 LEU 9 3HD2 LEU 9 -2.386 -1.932 1.525 75 HA PRO 10 HA PRO 10 -8.211 1.093 4.499 76 1HB PRO 10 2HB PRO 10 -7.064 3.642 5.303 77 2HB PRO 10 1HB PRO 10 -8.438 2.786 6.006 78 1HG PRO 10 2HG PRO 10 -5.980 3.106 7.230 79 2HG PRO 10 1HG PRO 10 -7.175 1.863 7.646 80 1HD PRO 10 2HD PRO 10 -4.693 1.650 6.018 81 2HD PRO 10 1HD PRO 10 -5.462 0.447 7.080 82 H ALA 11 H ALA 11 -8.018 0.999 2.300 83 HA ALA 11 HA ALA 11 -5.724 2.263 0.811 84 1HB ALA 11 1HB ALA 11 -8.388 1.017 -0.099 85 2HB ALA 11 2HB ALA 11 -6.823 0.216 -0.229 86 3HB ALA 11 3HB ALA 11 -7.161 1.658 -1.194 87 H ASP 12 H ASP 12 -5.736 4.048 1.678 88 HA ASP 12 HA ASP 12 -7.945 5.886 1.083 89 1HB ASP 12 2HB ASP 12 -8.004 5.360 3.526 90 2HB ASP 12 1HB ASP 12 -6.357 5.975 3.655 91 H SER 13 H SER 13 -7.665 7.830 0.357 92 HA SER 13 HA SER 13 -5.002 8.262 -0.891 93 1HB SER 13 2HB SER 13 -7.617 9.696 -1.333 94 2HB SER 13 1HB SER 13 -6.164 9.751 -2.336 95 HG SER 13 HG SER 13 -7.740 7.473 -1.817 96 H GLY 14 H GLY 14 -6.728 9.540 1.759 97 1HA GLY 14 2HA GLY 14 -5.701 10.934 3.302 98 2HA GLY 14 1HA GLY 14 -4.471 11.311 2.110 99 H SER 15 H SER 15 -5.293 13.382 3.476 100 HA SER 15 HA SER 15 -7.553 14.654 2.048 101 1HB SER 15 2HB SER 15 -6.670 15.032 4.897 102 2HB SER 15 1HB SER 15 -8.097 15.721 4.114 103 HG SER 15 HG SER 15 -7.621 12.935 4.334 104 H GLY 16 H GLY 16 -4.482 14.683 1.649 105 1HA GLY 16 2HA GLY 16 -3.616 17.096 2.945 106 2HA GLY 16 1HA GLY 16 -2.644 15.988 2.014 107 H THR 17 H THR 17 -2.105 18.325 1.741 108 HA THR 17 HA THR 17 -3.322 19.677 -0.647 109 HB THR 17 HB THR 17 -2.858 21.013 1.416 110 HG1 THR 17 1HG THR 17 -2.667 21.743 -0.858 111 1HG2 THR 17 1HG2 THR 17 -0.868 19.844 2.224 112 2HG2 THR 17 2HG2 THR 17 -0.516 21.556 1.986 113 3HG2 THR 17 3HG2 THR 17 0.036 20.364 0.804 114 H LYS 18 H LYS 18 -0.796 17.395 -0.157 115 HA LYS 18 HA LYS 18 1.049 18.438 -2.259 116 1HB LYS 18 2HB LYS 18 1.917 18.214 0.100 117 2HB LYS 18 1HB LYS 18 1.251 16.600 0.153 118 1HG LYS 18 2HG LYS 18 3.666 16.591 -0.163 119 2HG LYS 18 1HG LYS 18 2.836 15.867 -1.534 120 1HD LYS 18 2HD LYS 18 3.110 17.960 -2.786 121 2HD LYS 18 1HD LYS 18 3.960 18.667 -1.407 122 1HE LYS 18 2HE LYS 18 5.694 16.978 -1.574 123 2HE LYS 18 1HE LYS 18 4.827 16.193 -2.892 124 1HZ LYS 18 1HZ LYS 18 5.151 18.141 -4.237 125 2HZ LYS 18 2HZ LYS 18 6.637 17.567 -3.682 126 3HZ LYS 18 3HZ LYS 18 5.939 18.944 -2.966 127 H ALA 19 H ALA 19 1.901 16.891 -3.536 128 HA ALA 19 HA ALA 19 0.232 14.481 -3.968 129 1HB ALA 19 1HB ALA 19 1.929 16.046 -5.936 130 2HB ALA 19 2HB ALA 19 0.166 16.088 -5.877 131 3HB ALA 19 3HB ALA 19 1.003 14.591 -6.295 132 H GLU 20 H GLU 20 1.167 12.688 -3.431 133 HA GLU 20 HA GLU 20 4.038 12.658 -3.372 134 1HB GLU 20 2HB GLU 20 3.249 13.274 -1.179 135 2HB GLU 20 1HB GLU 20 2.126 11.932 -1.157 136 1HG GLU 20 2HG GLU 20 3.965 11.449 0.254 137 2HG GLU 20 1HG GLU 20 4.023 10.389 -1.147 138 H LYS 21 H LYS 21 4.713 10.661 -4.221 139 HA LYS 21 HA LYS 21 2.634 8.711 -5.058 140 1HB LYS 21 2HB LYS 21 4.121 9.903 -6.772 141 2HB LYS 21 1HB LYS 21 5.492 9.162 -5.974 142 1HG LYS 21 2HG LYS 21 3.264 7.528 -7.164 143 2HG LYS 21 1HG LYS 21 4.616 8.101 -8.129 144 1HD LYS 21 2HD LYS 21 4.859 6.366 -5.663 145 2HD LYS 21 1HD LYS 21 4.893 5.767 -7.321 146 1HE LYS 21 2HE LYS 21 6.861 7.137 -7.759 147 2HE LYS 21 1HE LYS 21 6.825 7.722 -6.095 148 1HZ LYS 21 1HZ LYS 21 7.164 4.881 -6.890 149 2HZ LYS 21 2HZ LYS 21 7.263 5.487 -5.323 150 3HZ LYS 21 3HZ LYS 21 8.416 5.938 -6.496 151 H ARG 22 H ARG 22 2.190 7.323 -3.510 152 HA ARG 22 HA ARG 22 4.567 6.226 -2.463 153 1HB ARG 22 2HB ARG 22 1.880 6.660 -1.210 154 2HB ARG 22 1HB ARG 22 3.156 5.725 -0.444 155 1HG ARG 22 2HG ARG 22 3.475 8.586 -1.323 156 2HG ARG 22 1HG ARG 22 3.010 8.095 0.309 157 1HD ARG 22 2HD ARG 22 5.100 6.881 0.559 158 2HD ARG 22 1HD ARG 22 5.547 7.275 -1.102 159 HE ARG 22 HE ARG 22 5.860 9.514 -0.478 160 1HH1 ARG 22 1HH1 ARG 22 5.121 7.512 2.395 161 2HH1 ARG 22 2HH1 ARG 22 5.820 8.633 3.481 162 1HH2 ARG 22 1HH2 ARG 22 6.817 10.982 1.035 163 2HH2 ARG 22 2HH2 ARG 22 6.842 10.625 2.684 164 H ILE 23 H ILE 23 3.600 3.639 -1.442 165 HA ILE 23 HA ILE 23 1.626 2.801 -3.398 166 HB ILE 23 HB ILE 23 3.877 2.254 -4.404 167 1HG1 ILE 23 2HG1 ILE 23 2.445 -0.264 -3.551 168 2HG1 ILE 23 1HG1 ILE 23 1.887 0.801 -4.834 169 1HG2 ILE 23 1HG2 ILE 23 5.256 0.499 -3.432 170 2HG2 ILE 23 2HG2 ILE 23 4.189 0.410 -2.051 171 3HG2 ILE 23 3HG2 ILE 23 5.151 1.886 -2.324 172 1HD1 ILE 23 1HD1 ILE 23 3.922 0.373 -6.098 173 2HD1 ILE 23 2HD1 ILE 23 3.087 -1.131 -5.720 174 3HD1 ILE 23 3HD1 ILE 23 4.520 -0.657 -4.801 175 H TYR 24 H TYR 24 0.351 1.028 -2.668 176 HA TYR 24 HA TYR 24 1.098 -0.194 -0.186 177 1HB TYR 24 2HB TYR 24 -1.166 0.098 0.848 178 2HB TYR 24 1HB TYR 24 -0.239 1.571 0.745 179 HD1 TYR 24 1HD TYR 24 -2.008 0.424 -2.295 180 HD2 TYR 24 2HD TYR 24 -2.270 2.792 1.227 181 HE1 TYR 24 1HE TYR 24 -3.990 1.564 -3.208 182 HE2 TYR 24 2HE TYR 24 -4.234 3.935 0.324 183 HH TYR 24 HH TYR 24 -5.235 4.412 -1.780 184 H TYR 25 H TYR 25 -0.855 -2.004 0.345 185 HA TYR 25 HA TYR 25 -0.671 -3.546 -1.880 186 1HB TYR 25 2HB TYR 25 -0.435 -4.341 0.367 187 2HB TYR 25 1HB TYR 25 -2.080 -3.887 0.749 188 HD1 TYR 25 1HD TYR 25 -0.088 -6.180 -1.418 189 HD2 TYR 25 2HD TYR 25 -3.790 -5.465 0.547 190 HE1 TYR 25 1HE TYR 25 -0.784 -8.485 -1.894 191 HE2 TYR 25 2HE TYR 25 -4.502 -7.762 0.064 192 HH TYR 25 HH TYR 25 -2.316 -10.144 -1.024 193 H ASN 26 H ASN 26 -2.471 -3.997 -3.361 194 HA ASN 26 HA ASN 26 -5.167 -2.968 -2.663 195 1HB ASN 26 2HB ASN 26 -4.211 -2.274 -4.926 196 2HB ASN 26 1HB ASN 26 -4.125 -3.991 -5.331 197 1HD2 ASN 26 1HD2 ASN 26 -6.214 -1.276 -4.825 198 2HD2 ASN 26 2HD2 ASN 26 -7.661 -2.030 -5.373 199 H SER 27 H SER 27 -6.542 -4.187 -2.126 200 HA SER 27 HA SER 27 -5.545 -6.633 -1.379 201 1HB SER 27 2HB SER 27 -8.299 -5.553 -0.780 202 2HB SER 27 1HB SER 27 -7.659 -7.027 -0.056 203 HG SER 27 HG SER 27 -6.354 -5.922 1.143 204 H ALA 28 H ALA 28 -8.012 -5.724 -3.687 205 HA ALA 28 HA ALA 28 -9.093 -8.319 -4.087 206 1HB ALA 28 1HB ALA 28 -10.386 -6.329 -4.516 207 2HB ALA 28 2HB ALA 28 -10.227 -7.293 -5.986 208 3HB ALA 28 3HB ALA 28 -9.251 -5.838 -5.775 209 H ARG 29 H ARG 29 -6.779 -6.239 -5.607 210 HA ARG 29 HA ARG 29 -6.187 -8.091 -7.825 211 1HB ARG 29 2HB ARG 29 -4.589 -5.633 -7.068 212 2HB ARG 29 1HB ARG 29 -4.465 -6.533 -8.565 213 1HG ARG 29 2HG ARG 29 -6.845 -4.951 -7.664 214 2HG ARG 29 1HG ARG 29 -5.630 -4.410 -8.811 215 1HD ARG 29 2HD ARG 29 -6.242 -6.276 -10.284 216 2HD ARG 29 1HD ARG 29 -7.490 -6.751 -9.129 217 HE ARG 29 HE ARG 29 -8.010 -4.162 -9.577 218 1HH1 ARG 29 1HH1 ARG 29 -7.764 -7.008 -11.681 219 2HH1 ARG 29 2HH1 ARG 29 -8.737 -6.340 -12.913 220 1HH2 ARG 29 1HH2 ARG 29 -9.384 -3.287 -11.255 221 2HH2 ARG 29 2HH2 ARG 29 -9.685 -4.177 -12.673 222 H LYS 30 H LYS 30 -5.285 -7.960 -4.710 223 HA LYS 30 HA LYS 30 -3.603 -8.798 -3.369 224 1HB LYS 30 2HB LYS 30 -4.664 -10.847 -4.311 225 2HB LYS 30 1HB LYS 30 -3.511 -10.837 -5.631 226 1HG LYS 30 2HG LYS 30 -1.710 -11.338 -4.092 227 2HG LYS 30 1HG LYS 30 -2.818 -11.229 -2.723 228 1HD LYS 30 2HD LYS 30 -4.080 -13.127 -3.554 229 2HD LYS 30 1HD LYS 30 -3.064 -13.199 -4.994 230 1HE LYS 30 2HE LYS 30 -2.044 -13.556 -2.176 231 2HE LYS 30 1HE LYS 30 -2.485 -14.883 -3.251 232 1HZ LYS 30 1HZ LYS 30 -0.096 -14.473 -3.314 233 2HZ LYS 30 2HZ LYS 30 -0.353 -12.869 -3.830 234 3HZ LYS 30 3HZ LYS 30 -0.808 -14.148 -4.796 235 H GLN 31 H GLN 31 -2.903 -7.053 -4.995 236 HA GLN 31 HA GLN 31 0.160 -7.025 -5.293 237 1HB GLN 31 2HB GLN 31 0.233 -6.374 -7.553 238 2HB GLN 31 1HB GLN 31 -0.701 -7.855 -7.458 239 1HG GLN 31 2HG GLN 31 -2.744 -6.548 -7.643 240 2HG GLN 31 1HG GLN 31 -1.779 -5.079 -7.789 241 1HE2 GLN 31 1HE2 GLN 31 -2.544 -4.643 -9.819 242 2HE2 GLN 31 2HE2 GLN 31 -2.077 -5.569 -11.199 243 H CYS 32 H CYS 32 1.394 -5.145 -5.349 244 HA CYS 32 HA CYS 32 0.094 -3.279 -3.749 245 1HB CYS 32 2HB CYS 32 2.734 -3.300 -5.162 246 2HB CYS 32 1HB CYS 32 2.237 -2.202 -3.893 247 H LEU 33 H LEU 33 -0.290 -1.190 -4.309 248 HA LEU 33 HA LEU 33 -0.274 -0.608 -7.091 249 1HB LEU 33 2HB LEU 33 -2.459 -1.469 -6.765 250 2HB LEU 33 1HB LEU 33 -2.631 -0.669 -5.223 251 HG LEU 33 HG LEU 33 -2.668 1.456 -6.431 252 1HD1 LEU 33 1HD1 LEU 33 -3.330 1.420 -8.828 253 2HD1 LEU 33 2HD1 LEU 33 -3.045 -0.321 -8.846 254 3HD1 LEU 33 3HD1 LEU 33 -1.708 0.786 -8.557 255 1HD2 LEU 33 1HD2 LEU 33 -5.043 1.244 -7.092 256 2HD2 LEU 33 2HD2 LEU 33 -4.676 0.509 -5.533 257 3HD2 LEU 33 3HD2 LEU 33 -4.887 -0.508 -6.961 258 H ARG 34 H ARG 34 0.253 1.458 -7.326 259 HA ARG 34 HA ARG 34 0.953 3.157 -5.148 260 1HB ARG 34 2HB ARG 34 2.261 2.808 -7.266 261 2HB ARG 34 1HB ARG 34 0.959 3.553 -8.160 262 1HG ARG 34 2HG ARG 34 2.541 4.989 -6.042 263 2HG ARG 34 1HG ARG 34 3.011 4.958 -7.728 264 1HD ARG 34 2HD ARG 34 0.428 6.026 -6.623 265 2HD ARG 34 1HD ARG 34 1.811 6.990 -7.120 266 HE ARG 34 HE ARG 34 1.286 5.572 -9.330 267 1HH1 ARG 34 1HH1 ARG 34 -0.719 7.520 -7.225 268 2HH1 ARG 34 2HH1 ARG 34 -1.813 8.015 -8.417 269 1HH2 ARG 34 1HH2 ARG 34 -0.195 6.180 -11.009 270 2HH2 ARG 34 2HH2 ARG 34 -1.458 7.291 -10.656 271 H PHE 35 H PHE 35 -0.053 4.921 -4.654 272 HA PHE 35 HA PHE 35 -2.538 5.221 -5.844 273 1HB PHE 35 2HB PHE 35 -3.687 5.957 -3.615 274 2HB PHE 35 1HB PHE 35 -3.135 4.305 -3.781 275 HD1 PHE 35 1HD PHE 35 -0.542 4.026 -2.879 276 HD2 PHE 35 2HD PHE 35 -3.361 6.948 -1.596 277 HE1 PHE 35 1HE PHE 35 0.636 4.217 -0.735 278 HE2 PHE 35 2HE PHE 35 -2.170 7.145 0.545 279 HZ PHE 35 HZ PHE 35 -0.173 5.785 0.977 280 H ASP 36 H ASP 36 -3.407 7.937 -5.098 281 HA ASP 36 HA ASP 36 -0.997 9.401 -5.346 282 1HB ASP 36 2HB ASP 36 -3.880 10.236 -5.859 283 2HB ASP 36 1HB ASP 36 -2.540 11.352 -5.975 284 H TYR 37 H TYR 37 -0.493 9.309 -3.140 285 HA TYR 37 HA TYR 37 -2.389 10.040 -1.121 286 1HB TYR 37 2HB TYR 37 -0.676 8.390 -0.647 287 2HB TYR 37 1HB TYR 37 0.589 9.520 -1.091 288 HD1 TYR 37 1HD TYR 37 -2.378 9.729 1.213 289 HD2 TYR 37 2HD TYR 37 1.829 10.113 0.735 290 HE1 TYR 37 1HE TYR 37 -2.183 10.498 3.548 291 HE2 TYR 37 2HE TYR 37 2.036 10.874 3.044 292 HH TYR 37 HH TYR 37 0.681 11.946 4.728 293 H THR 38 H THR 38 -2.596 12.175 -0.184 294 HA THR 38 HA THR 38 -1.197 14.037 -1.714 295 HB THR 38 HB THR 38 -3.032 15.494 -0.540 296 HG1 THR 38 1HG THR 38 -4.542 13.195 -0.441 297 1HG2 THR 38 1HG2 THR 38 -4.644 14.796 -2.263 298 2HG2 THR 38 2HG2 THR 38 -3.718 13.316 -2.536 299 3HG2 THR 38 3HG2 THR 38 -3.018 14.883 -2.938 300 H GLY 39 H GLY 39 0.251 12.828 0.344 301 1HA GLY 39 2HA GLY 39 1.715 13.230 2.021 302 2HA GLY 39 1HA GLY 39 1.439 14.909 1.663 303 H GLN 40 H GLN 40 -1.568 14.437 2.833 304 HA GLN 40 HA GLN 40 -0.557 14.390 5.526 305 1HB GLN 40 2HB GLN 40 -0.619 16.734 4.777 306 2HB GLN 40 1HB GLN 40 -2.326 16.565 4.392 307 1HG GLN 40 2HG GLN 40 -1.952 17.739 6.502 308 2HG GLN 40 1HG GLN 40 -2.851 16.236 6.728 309 1HE2 GLN 40 1HE2 GLN 40 -2.248 16.160 8.864 310 2HE2 GLN 40 2HE2 GLN 40 -0.683 15.667 9.396 311 H GLY 41 H GLY 41 -2.119 13.074 6.885 312 1HA GLY 41 2HA GLY 41 -4.305 12.779 7.571 313 2HA GLY 41 1HA GLY 41 -4.848 13.646 6.144 314 H GLY 42 H GLY 42 -2.861 10.713 6.387 315 1HA GLY 42 2HA GLY 42 -4.856 9.456 4.655 316 2HA GLY 42 1HA GLY 42 -3.120 9.214 4.513 317 H ASN 43 H ASN 43 -3.160 7.000 4.791 318 HA ASN 43 HA ASN 43 -4.339 5.760 7.186 319 1HB ASN 43 2HB ASN 43 -4.210 3.850 5.802 320 2HB ASN 43 1HB ASN 43 -5.033 5.065 4.834 321 1HD2 ASN 43 1HD2 ASN 43 -3.684 2.744 3.878 322 2HD2 ASN 43 2HD2 ASN 43 -2.335 3.282 2.927 323 H GLU 44 H GLU 44 -3.188 4.176 8.014 324 HA GLU 44 HA GLU 44 -0.470 4.902 8.872 325 1HB GLU 44 2HB GLU 44 -0.772 3.024 10.300 326 2HB GLU 44 1HB GLU 44 -2.183 4.062 10.409 327 1HG GLU 44 2HG GLU 44 -3.425 2.542 8.956 328 2HG GLU 44 1HG GLU 44 -2.000 1.513 8.815 329 H ASN 45 H ASN 45 -1.773 2.915 6.475 330 HA ASN 45 HA ASN 45 0.732 1.485 6.356 331 1HB ASN 45 2HB ASN 45 -1.359 0.274 5.881 332 2HB ASN 45 1HB ASN 45 -1.628 1.308 4.481 333 1HD2 ASN 45 1HD2 ASN 45 0.212 -1.303 5.796 334 2HD2 ASN 45 2HD2 ASN 45 0.971 -1.754 4.315 335 H ASN 46 H ASN 46 2.246 3.832 5.393 336 HA ASN 46 HA ASN 46 1.608 3.669 2.760 337 1HB ASN 46 2HB ASN 46 1.508 5.696 4.170 338 2HB ASN 46 1HB ASN 46 3.202 5.472 4.573 339 1HD2 ASN 46 1HD2 ASN 46 0.957 6.625 2.379 340 2HD2 ASN 46 2HD2 ASN 46 2.035 7.244 1.187 341 H PHE 47 H PHE 47 3.123 2.937 1.277 342 HA PHE 47 HA PHE 47 5.692 2.358 2.412 343 1HB PHE 47 2HB PHE 47 4.443 1.144 -0.050 344 2HB PHE 47 1HB PHE 47 6.062 0.772 0.534 345 HD1 PHE 47 1HD PHE 47 2.725 -0.199 0.603 346 HD2 PHE 47 2HD PHE 47 6.164 0.097 3.077 347 HE1 PHE 47 1HE PHE 47 1.763 -1.855 2.136 348 HE2 PHE 47 2HE PHE 47 5.210 -1.561 4.609 349 HZ PHE 47 HZ PHE 47 3.003 -2.534 4.137 350 H ARG 48 H ARG 48 7.441 3.285 1.479 351 HA ARG 48 HA ARG 48 7.138 5.293 -0.715 352 1HB ARG 48 2HB ARG 48 7.999 6.043 1.517 353 2HB ARG 48 1HB ARG 48 9.341 4.935 1.311 354 1HG ARG 48 2HG ARG 48 9.946 7.252 0.753 355 2HG ARG 48 1HG ARG 48 10.115 6.176 -0.627 356 1HD ARG 48 2HD ARG 48 8.023 7.034 -1.601 357 2HD ARG 48 1HD ARG 48 7.699 7.991 -0.178 358 HE ARG 48 HE ARG 48 10.145 8.811 -1.035 359 1HH1 ARG 48 1HH1 ARG 48 6.975 8.567 -2.689 360 2HH1 ARG 48 2HH1 ARG 48 7.181 10.055 -3.460 361 1HH2 ARG 48 1HH2 ARG 48 10.367 10.759 -2.134 362 2HH2 ARG 48 2HH2 ARG 48 9.115 11.354 -3.161 363 H ARG 49 H ARG 49 8.298 2.042 -0.085 364 HA ARG 49 HA ARG 49 9.896 2.289 -2.414 365 1HB ARG 49 2HB ARG 49 11.383 2.289 -0.551 366 2HB ARG 49 1HB ARG 49 10.492 1.005 0.246 367 1HG ARG 49 2HG ARG 49 11.268 -0.546 -1.542 368 2HG ARG 49 1HG ARG 49 12.269 0.768 -2.175 369 1HD ARG 49 2HD ARG 49 13.516 0.893 -0.137 370 2HD ARG 49 1HD ARG 49 12.419 -0.234 0.662 371 HE ARG 49 HE ARG 49 13.766 -1.288 -1.670 372 1HH1 ARG 49 1HH1 ARG 49 13.916 -0.895 1.872 373 2HH1 ARG 49 2HH1 ARG 49 15.001 -2.176 2.096 374 1HH2 ARG 49 1HH2 ARG 49 15.224 -3.143 -1.306 375 2HH2 ARG 49 2HH2 ARG 49 15.716 -3.511 0.265 376 H THR 50 H THR 50 9.565 0.541 -3.765 377 HA THR 50 HA THR 50 7.217 -0.909 -3.768 378 HB THR 50 HB THR 50 9.735 -1.457 -5.354 379 HG1 THR 50 1HG THR 50 7.644 0.215 -6.251 380 1HG2 THR 50 1HG2 THR 50 8.166 -2.184 -7.099 381 2HG2 THR 50 2HG2 THR 50 6.808 -1.865 -6.017 382 3HG2 THR 50 3HG2 THR 50 7.957 -3.147 -5.636 383 H TYR 51 H TYR 51 10.511 -2.035 -2.909 384 HA TYR 51 HA TYR 51 9.766 -4.756 -2.588 385 1HB TYR 51 2HB TYR 51 12.119 -4.017 -2.868 386 2HB TYR 51 1HB TYR 51 12.068 -3.280 -1.275 387 HD1 TYR 51 1HD TYR 51 12.892 -4.495 0.506 388 HD2 TYR 51 2HD TYR 51 11.530 -6.563 -2.950 389 HE1 TYR 51 1HE TYR 51 13.684 -6.614 1.462 390 HE2 TYR 51 2HE TYR 51 12.315 -8.679 -2.003 391 HH TYR 51 HH TYR 51 13.965 -9.408 -0.429 392 H ASP 52 H ASP 52 9.806 -1.986 -0.469 393 HA ASP 52 HA ASP 52 9.327 -3.395 1.961 394 1HB ASP 52 2HB ASP 52 8.470 -0.605 1.175 395 2HB ASP 52 1HB ASP 52 8.002 -1.310 2.710 396 H CYS 53 H CYS 53 6.997 -2.231 -0.414 397 HA CYS 53 HA CYS 53 4.743 -3.181 0.995 398 1HB CYS 53 2HB CYS 53 3.441 -2.722 -0.850 399 2HB CYS 53 1HB CYS 53 4.820 -1.676 -1.117 400 H GLN 54 H GLN 54 6.420 -4.506 -1.428 401 HA GLN 54 HA GLN 54 5.360 -7.148 -1.810 402 1HB GLN 54 2HB GLN 54 6.843 -6.384 -3.465 403 2HB GLN 54 1HB GLN 54 8.242 -6.490 -2.368 404 1HG GLN 54 2HG GLN 54 7.731 -8.975 -2.285 405 2HG GLN 54 1HG GLN 54 6.601 -8.695 -3.604 406 1HE2 GLN 54 1HE2 GLN 54 7.760 -9.952 -5.066 407 2HE2 GLN 54 2HE2 GLN 54 9.276 -9.424 -5.697 408 H ARG 55 H ARG 55 8.074 -6.355 0.121 409 HA ARG 55 HA ARG 55 8.501 -8.980 1.266 410 1HB ARG 55 2HB ARG 55 10.292 -7.299 1.288 411 2HB ARG 55 1HB ARG 55 9.278 -6.203 2.205 412 1HG ARG 55 2HG ARG 55 9.354 -7.734 4.099 413 2HG ARG 55 1HG ARG 55 10.383 -8.824 3.162 414 1HD ARG 55 2HD ARG 55 12.186 -7.404 3.233 415 2HD ARG 55 1HD ARG 55 11.188 -5.975 3.444 416 HE ARG 55 HE ARG 55 10.667 -7.108 5.703 417 1HH1 ARG 55 1HH1 ARG 55 13.884 -7.311 4.211 418 2HH1 ARG 55 2HH1 ARG 55 14.730 -6.979 5.652 419 1HH2 ARG 55 1HH2 ARG 55 11.857 -6.744 7.710 420 2HH2 ARG 55 2HH2 ARG 55 13.564 -6.635 7.677 421 H THR 56 H THR 56 6.590 -6.073 2.537 422 HA THR 56 HA THR 56 5.981 -7.851 4.538 423 HB THR 56 HB THR 56 6.074 -5.492 5.060 424 HG1 THR 56 1HG THR 56 3.822 -7.029 5.582 425 1HG2 THR 56 1HG2 THR 56 4.300 -3.971 4.378 426 2HG2 THR 56 2HG2 THR 56 3.545 -5.260 3.442 427 3HG2 THR 56 3HG2 THR 56 5.125 -4.634 2.970 428 H CYS 57 H CYS 57 4.148 -7.041 1.557 429 HA CYS 57 HA CYS 57 1.835 -8.532 2.581 430 1HB CYS 57 2HB CYS 57 2.040 -6.605 0.294 431 2HB CYS 57 1HB CYS 57 0.586 -7.499 0.728 432 H LEU 58 H LEU 58 4.321 -9.020 0.357 433 HA LEU 58 HA LEU 58 2.644 -10.914 -1.044 434 1HB LEU 58 2HB LEU 58 3.833 -9.242 -2.384 435 2HB LEU 58 1HB LEU 58 5.360 -9.818 -1.782 436 HG LEU 58 HG LEU 58 4.799 -10.421 -4.161 437 1HD1 LEU 58 1HD1 LEU 58 5.335 -12.742 -2.333 438 2HD1 LEU 58 2HD1 LEU 58 6.529 -11.640 -3.006 439 3HD1 LEU 58 3HD1 LEU 58 5.614 -12.710 -4.075 440 1HD2 LEU 58 1HD2 LEU 58 2.434 -10.890 -3.879 441 2HD2 LEU 58 2HD2 LEU 58 2.816 -12.281 -2.862 442 3HD2 LEU 58 3HD2 LEU 58 3.270 -12.280 -4.567 443 H TYR 59 H TYR 59 5.298 -10.756 1.195 444 HA TYR 59 HA TYR 59 5.801 -13.531 0.666 445 1HB TYR 59 2HB TYR 59 7.434 -11.573 2.291 446 2HB TYR 59 1HB TYR 59 7.764 -13.308 2.241 447 HD1 TYR 59 1HD TYR 59 8.345 -10.174 0.606 448 HD2 TYR 59 2HD TYR 59 8.121 -14.366 -0.056 449 HE1 TYR 59 1HE TYR 59 9.584 -9.906 -1.506 450 HE2 TYR 59 2HE TYR 59 9.366 -14.112 -2.158 451 HH TYR 59 HH TYR 59 10.992 -11.281 -3.041 452 H THR 60 H THR 60 3.933 -14.079 1.258 453 HA THR 60 HA THR 60 3.867 -15.253 3.831 454 HB THR 60 HB THR 60 2.746 -13.205 4.487 455 HG1 THR 60 1HG THR 60 1.597 -14.540 5.565 456 1HG2 THR 60 1HG2 THR 60 0.696 -12.343 3.398 457 2HG2 THR 60 2HG2 THR 60 0.828 -13.596 2.168 458 3HG2 THR 60 3HG2 THR 60 2.067 -12.344 2.284 Start of MODEL 4 1 1H LYS 1 1HT LYS 1 -4.249 -16.747 3.787 2 2H LYS 1 2HT LYS 1 -4.482 -15.161 3.211 3 3H LYS 1 3HT LYS 1 -5.399 -16.423 2.597 4 HA LYS 1 HA LYS 1 -6.667 -15.052 4.157 5 1HB LYS 1 2HB LYS 1 -7.561 -16.880 5.483 6 2HB LYS 1 1HB LYS 1 -7.314 -17.360 3.818 7 1HG LYS 1 2HG LYS 1 -5.348 -18.607 4.424 8 2HG LYS 1 1HG LYS 1 -5.461 -18.031 6.089 9 1HD LYS 1 2HD LYS 1 -7.617 -19.172 6.324 10 2HD LYS 1 1HD LYS 1 -7.486 -19.742 4.659 11 1HE LYS 1 2HE LYS 1 -5.511 -21.015 5.203 12 2HE LYS 1 1HE LYS 1 -5.499 -20.365 6.842 13 1HZ LYS 1 1HZ LYS 1 -7.571 -21.489 7.283 14 2HZ LYS 1 2HZ LYS 1 -6.432 -22.608 6.709 15 3HZ LYS 1 3HZ LYS 1 -7.649 -22.058 5.689 16 H ASP 2 H ASP 2 -3.509 -15.973 5.271 17 HA ASP 2 HA ASP 2 -4.022 -15.284 8.047 18 1HB ASP 2 2HB ASP 2 -2.287 -17.002 7.323 19 2HB ASP 2 1HB ASP 2 -1.383 -15.684 6.598 20 H ARG 3 H ARG 3 -1.876 -13.968 5.710 21 HA ARG 3 HA ARG 3 -1.119 -11.763 5.206 22 1HB ARG 3 2HB ARG 3 -3.718 -10.906 6.431 23 2HB ARG 3 1HB ARG 3 -2.690 -9.964 5.387 24 1HG ARG 3 2HG ARG 3 -3.270 -11.414 3.524 25 2HG ARG 3 1HG ARG 3 -4.290 -12.389 4.607 26 1HD ARG 3 2HD ARG 3 -5.465 -10.279 5.246 27 2HD ARG 3 1HD ARG 3 -4.581 -9.465 3.969 28 HE ARG 3 HE ARG 3 -5.742 -11.262 2.529 29 1HH1 ARG 3 1HH1 ARG 3 -7.094 -9.644 5.382 30 2HH1 ARG 3 2HH1 ARG 3 -8.700 -9.614 4.819 31 1HH2 ARG 3 1HH2 ARG 3 -7.972 -11.195 1.704 32 2HH2 ARG 3 2HH2 ARG 3 -9.204 -10.496 2.627 33 HA PRO 4 HA PRO 4 -0.237 -9.478 9.010 34 1HB PRO 4 2HB PRO 4 0.786 -7.404 7.119 35 2HB PRO 4 1HB PRO 4 1.668 -8.206 8.428 36 1HG PRO 4 2HG PRO 4 2.210 -8.742 5.870 37 2HG PRO 4 1HG PRO 4 2.236 -10.018 7.107 38 1HD PRO 4 2HD PRO 4 0.061 -9.333 5.155 39 2HD PRO 4 1HD PRO 4 0.750 -10.931 5.540 40 H SER 5 H SER 5 -2.044 -8.141 9.684 41 HA SER 5 HA SER 5 -4.174 -7.747 8.093 42 1HB SER 5 2HB SER 5 -5.052 -6.303 9.913 43 2HB SER 5 1HB SER 5 -4.392 -7.858 10.422 44 HG SER 5 HG SER 5 -3.783 -5.565 11.360 45 H LEU 6 H LEU 6 -1.406 -5.664 7.989 46 HA LEU 6 HA LEU 6 -2.937 -3.321 7.329 47 1HB LEU 6 2HB LEU 6 -0.925 -2.086 7.329 48 2HB LEU 6 1HB LEU 6 -0.888 -3.116 8.730 49 HG LEU 6 HG LEU 6 0.674 -3.635 6.186 50 1HD1 LEU 6 1HD1 LEU 6 1.404 -1.580 7.275 51 2HD1 LEU 6 2HD1 LEU 6 2.615 -2.855 7.427 52 3HD1 LEU 6 3HD1 LEU 6 1.589 -2.449 8.800 53 1HD2 LEU 6 1HD2 LEU 6 0.308 -5.666 7.445 54 2HD2 LEU 6 2HD2 LEU 6 0.844 -4.877 8.932 55 3HD2 LEU 6 3HD2 LEU 6 1.982 -5.155 7.617 56 H CYS 7 H CYS 7 -2.934 -5.737 5.612 57 HA CYS 7 HA CYS 7 -2.130 -4.450 3.099 58 1HB CYS 7 2HB CYS 7 -2.890 -7.318 3.694 59 2HB CYS 7 1HB CYS 7 -2.330 -6.703 2.143 60 H ASP 8 H ASP 8 -4.608 -5.254 5.113 61 HA ASP 8 HA ASP 8 -6.798 -5.085 3.188 62 1HB ASP 8 2HB ASP 8 -6.737 -7.020 4.798 63 2HB ASP 8 1HB ASP 8 -6.730 -5.886 6.134 64 H LEU 9 H LEU 9 -5.183 -2.833 3.754 65 HA LEU 9 HA LEU 9 -5.854 -1.522 6.198 66 1HB LEU 9 2HB LEU 9 -3.942 -0.147 5.700 67 2HB LEU 9 1HB LEU 9 -3.499 -1.815 5.496 68 HG LEU 9 HG LEU 9 -2.336 -0.673 3.851 69 1HD1 LEU 9 1HD1 LEU 9 -3.122 -1.292 1.661 70 2HD1 LEU 9 2HD1 LEU 9 -4.678 -1.738 2.369 71 3HD1 LEU 9 3HD1 LEU 9 -3.215 -2.596 2.844 72 1HD2 LEU 9 1HD2 LEU 9 -3.339 1.484 3.939 73 2HD2 LEU 9 2HD2 LEU 9 -4.789 0.901 3.136 74 3HD2 LEU 9 3HD2 LEU 9 -3.260 0.966 2.256 75 HA PRO 10 HA PRO 10 -8.411 1.252 4.301 76 1HB PRO 10 2HB PRO 10 -7.680 3.755 5.240 77 2HB PRO 10 1HB PRO 10 -8.659 2.584 6.130 78 1HG PRO 10 2HG PRO 10 -5.745 3.167 6.339 79 2HG PRO 10 1HG PRO 10 -6.904 2.745 7.615 80 1HD PRO 10 2HD PRO 10 -5.123 0.984 6.544 81 2HD PRO 10 1HD PRO 10 -6.687 0.505 7.237 82 H ALA 11 H ALA 11 -8.102 1.321 2.121 83 HA ALA 11 HA ALA 11 -5.747 2.630 0.786 84 1HB ALA 11 1HB ALA 11 -8.480 1.623 -0.207 85 2HB ALA 11 2HB ALA 11 -6.966 0.748 -0.448 86 3HB ALA 11 3HB ALA 11 -7.221 2.302 -1.241 87 H ASP 12 H ASP 12 -5.582 4.296 1.630 88 HA ASP 12 HA ASP 12 -7.679 6.282 1.229 89 1HB ASP 12 2HB ASP 12 -7.790 5.511 3.591 90 2HB ASP 12 1HB ASP 12 -6.146 6.102 3.811 91 H SER 13 H SER 13 -7.295 8.175 0.502 92 HA SER 13 HA SER 13 -4.523 8.556 -0.500 93 1HB SER 13 2HB SER 13 -7.055 9.940 -1.364 94 2HB SER 13 1HB SER 13 -5.499 9.902 -2.197 95 HG SER 13 HG SER 13 -7.520 8.048 -2.029 96 H GLY 14 H GLY 14 -6.594 9.729 1.871 97 1HA GLY 14 2HA GLY 14 -6.435 11.586 3.244 98 2HA GLY 14 1HA GLY 14 -4.835 11.885 2.559 99 H SER 15 H SER 15 -7.008 14.152 2.967 100 HA SER 15 HA SER 15 -7.017 14.646 0.241 101 1HB SER 15 2HB SER 15 -9.332 14.314 1.202 102 2HB SER 15 1HB SER 15 -8.986 15.576 2.380 103 HG SER 15 HG SER 15 -8.751 16.998 0.614 104 H GLY 16 H GLY 16 -4.685 15.091 1.439 105 1HA GLY 16 2HA GLY 16 -4.489 17.610 2.645 106 2HA GLY 16 1HA GLY 16 -3.200 16.554 2.112 107 H THR 17 H THR 17 -2.466 18.848 1.729 108 HA THR 17 HA THR 17 -3.492 20.030 -0.761 109 HB THR 17 HB THR 17 -1.504 21.177 1.194 110 HG1 THR 17 1HG THR 17 -3.898 22.250 1.559 111 1HG2 THR 17 1HG2 THR 17 -3.457 22.425 -0.757 112 2HG2 THR 17 2HG2 THR 17 -1.716 22.292 -0.998 113 3HG2 THR 17 3HG2 THR 17 -2.357 23.307 0.299 114 H LYS 18 H LYS 18 -0.922 17.861 0.016 115 HA LYS 18 HA LYS 18 1.041 18.913 -1.924 116 1HB LYS 18 2HB LYS 18 1.632 18.746 0.571 117 2HB LYS 18 1HB LYS 18 1.160 17.067 0.488 118 1HG LYS 18 2HG LYS 18 3.487 17.084 0.394 119 2HG LYS 18 1HG LYS 18 2.961 16.797 -1.261 120 1HD LYS 18 2HD LYS 18 3.365 19.119 -1.820 121 2HD LYS 18 1HD LYS 18 3.800 19.466 -0.141 122 1HE LYS 18 2HE LYS 18 5.243 17.597 -2.018 123 2HE LYS 18 1HE LYS 18 5.805 19.182 -1.484 124 1HZ LYS 18 1HZ LYS 18 5.335 16.846 0.299 125 2HZ LYS 18 2HZ LYS 18 5.943 18.353 0.773 126 3HZ LYS 18 3HZ LYS 18 6.848 17.341 -0.229 127 H ALA 19 H ALA 19 1.998 17.139 -3.163 128 HA ALA 19 HA ALA 19 0.273 14.714 -3.321 129 1HB ALA 19 1HB ALA 19 1.878 16.012 -5.545 130 2HB ALA 19 2HB ALA 19 0.121 16.109 -5.383 131 3HB ALA 19 3HB ALA 19 0.893 14.556 -5.687 132 H GLU 20 H GLU 20 1.227 12.767 -3.078 133 HA GLU 20 HA GLU 20 4.156 12.678 -3.079 134 1HB GLU 20 2HB GLU 20 3.358 13.327 -0.828 135 2HB GLU 20 1HB GLU 20 2.446 11.830 -0.745 136 1HG GLU 20 2HG GLU 20 4.513 11.667 0.457 137 2HG GLU 20 1HG GLU 20 4.503 10.568 -0.932 138 H LYS 21 H LYS 21 4.866 10.650 -3.743 139 HA LYS 21 HA LYS 21 2.880 8.732 -4.848 140 1HB LYS 21 2HB LYS 21 4.785 9.795 -6.207 141 2HB LYS 21 1HB LYS 21 5.888 8.980 -5.127 142 1HG LYS 21 2HG LYS 21 3.884 7.528 -6.847 143 2HG LYS 21 1HG LYS 21 5.491 7.944 -7.396 144 1HD LYS 21 2HD LYS 21 4.914 6.180 -5.006 145 2HD LYS 21 1HD LYS 21 5.187 5.570 -6.629 146 1HE LYS 21 2HE LYS 21 7.260 5.319 -5.612 147 2HE LYS 21 1HE LYS 21 7.438 6.828 -6.491 148 1HZ LYS 21 1HZ LYS 21 8.346 6.946 -4.213 149 2HZ LYS 21 2HZ LYS 21 6.833 6.588 -3.591 150 3HZ LYS 21 3HZ LYS 21 7.090 8.043 -4.391 151 H ARG 22 H ARG 22 2.142 7.288 -3.236 152 HA ARG 22 HA ARG 22 4.370 6.062 -1.932 153 1HB ARG 22 2HB ARG 22 1.484 6.267 -1.110 154 2HB ARG 22 1HB ARG 22 2.763 5.495 -0.202 155 1HG ARG 22 2HG ARG 22 2.684 8.417 -0.895 156 2HG ARG 22 1HG ARG 22 2.120 7.731 0.626 157 1HD ARG 22 2HD ARG 22 4.393 6.891 1.048 158 2HD ARG 22 1HD ARG 22 4.935 7.646 -0.454 159 HE ARG 22 HE ARG 22 3.850 9.710 0.736 160 1HH1 ARG 22 1HH1 ARG 22 5.961 7.299 2.177 161 2HH1 ARG 22 2HH1 ARG 22 6.708 8.382 3.272 162 1HH2 ARG 22 1HH2 ARG 22 4.845 11.215 2.281 163 2HH2 ARG 22 2HH2 ARG 22 6.051 10.630 3.314 164 H ILE 23 H ILE 23 3.432 3.492 -1.290 165 HA ILE 23 HA ILE 23 1.594 2.710 -3.422 166 HB ILE 23 HB ILE 23 3.949 2.210 -4.247 167 1HG1 ILE 23 2HG1 ILE 23 2.438 -0.330 -3.630 168 2HG1 ILE 23 1HG1 ILE 23 2.025 0.783 -4.931 169 1HG2 ILE 23 1HG2 ILE 23 5.026 1.733 -2.068 170 2HG2 ILE 23 2HG2 ILE 23 5.219 0.398 -3.229 171 3HG2 ILE 23 3HG2 ILE 23 4.032 0.265 -1.953 172 1HD1 ILE 23 1HD1 ILE 23 4.188 0.380 -5.974 173 2HD1 ILE 23 2HD1 ILE 23 3.297 -1.131 -5.744 174 3HD1 ILE 23 3HD1 ILE 23 4.627 -0.711 -4.662 175 H TYR 24 H TYR 24 0.268 0.925 -2.862 176 HA TYR 24 HA TYR 24 0.832 -0.363 -0.373 177 1HB TYR 24 2HB TYR 24 -1.526 -0.109 0.499 178 2HB TYR 24 1HB TYR 24 -0.551 1.345 0.544 179 HD1 TYR 24 1HD TYR 24 -2.037 0.430 -2.684 180 HD2 TYR 24 2HD TYR 24 -2.644 2.550 0.943 181 HE1 TYR 24 1HE TYR 24 -3.890 1.659 -3.720 182 HE2 TYR 24 2HE TYR 24 -4.489 3.783 -0.082 183 HH TYR 24 HH TYR 24 -5.818 2.906 -3.142 184 H TYR 25 H TYR 25 -1.127 -2.203 0.012 185 HA TYR 25 HA TYR 25 -0.863 -3.716 -2.230 186 1HB TYR 25 2HB TYR 25 -0.550 -4.518 -0.048 187 2HB TYR 25 1HB TYR 25 -2.157 -4.035 0.439 188 HD1 TYR 25 1HD TYR 25 -3.907 -5.561 0.329 189 HD2 TYR 25 2HD TYR 25 -0.322 -6.436 -1.767 190 HE1 TYR 25 1HE TYR 25 -4.691 -7.842 -0.023 191 HE2 TYR 25 2HE TYR 25 -1.110 -8.747 -2.136 192 HH TYR 25 HH TYR 25 -2.710 -10.348 -0.968 193 H ASN 26 H ASN 26 -2.689 -4.202 -3.711 194 HA ASN 26 HA ASN 26 -5.419 -3.320 -2.928 195 1HB ASN 26 2HB ASN 26 -4.663 -2.627 -5.245 196 2HB ASN 26 1HB ASN 26 -4.463 -4.343 -5.625 197 1HD2 ASN 26 1HD2 ASN 26 -6.729 -1.782 -4.973 198 2HD2 ASN 26 2HD2 ASN 26 -8.136 -2.632 -5.483 199 H SER 27 H SER 27 -6.678 -4.512 -2.272 200 HA SER 27 HA SER 27 -5.787 -6.993 -1.618 201 1HB SER 27 2HB SER 27 -8.528 -5.867 -1.105 202 2HB SER 27 1HB SER 27 -7.989 -7.403 -0.428 203 HG SER 27 HG SER 27 -6.761 -4.860 -0.041 204 H ALA 28 H ALA 28 -8.164 -6.033 -3.998 205 HA ALA 28 HA ALA 28 -9.248 -8.611 -4.469 206 1HB ALA 28 1HB ALA 28 -9.321 -6.120 -6.162 207 2HB ALA 28 2HB ALA 28 -10.507 -6.599 -4.950 208 3HB ALA 28 3HB ALA 28 -10.301 -7.564 -6.417 209 H ARG 29 H ARG 29 -6.872 -6.584 -5.939 210 HA ARG 29 HA ARG 29 -6.258 -8.427 -8.121 211 1HB ARG 29 2HB ARG 29 -4.943 -5.809 -7.408 212 2HB ARG 29 1HB ARG 29 -4.258 -6.879 -8.612 213 1HG ARG 29 2HG ARG 29 -5.492 -5.136 -9.706 214 2HG ARG 29 1HG ARG 29 -6.338 -6.663 -9.937 215 1HD ARG 29 2HD ARG 29 -7.961 -6.079 -8.303 216 2HD ARG 29 1HD ARG 29 -7.026 -4.675 -7.797 217 HE ARG 29 HE ARG 29 -7.648 -4.438 -10.516 218 1HH1 ARG 29 1HH1 ARG 29 -9.105 -4.265 -7.336 219 2HH1 ARG 29 2HH1 ARG 29 -10.401 -3.249 -7.753 220 1HH2 ARG 29 1HH2 ARG 29 -9.450 -3.022 -11.205 221 2HH2 ARG 29 2HH2 ARG 29 -10.580 -2.514 -10.035 222 H LYS 30 H LYS 30 -5.368 -8.228 -5.010 223 HA LYS 30 HA LYS 30 -3.649 -8.882 -3.613 224 1HB LYS 30 2HB LYS 30 -4.448 -11.095 -4.501 225 2HB LYS 30 1HB LYS 30 -3.241 -10.999 -5.774 226 1HG LYS 30 2HG LYS 30 -1.513 -10.902 -3.890 227 2HG LYS 30 1HG LYS 30 -2.825 -11.382 -2.821 228 1HD LYS 30 2HD LYS 30 -3.169 -13.396 -4.155 229 2HD LYS 30 1HD LYS 30 -1.867 -12.902 -5.241 230 1HE LYS 30 2HE LYS 30 -0.351 -12.879 -3.227 231 2HE LYS 30 1HE LYS 30 -1.662 -13.644 -2.328 232 1HZ LYS 30 1HZ LYS 30 -1.613 -15.457 -3.989 233 2HZ LYS 30 2HZ LYS 30 -0.143 -15.306 -3.143 234 3HZ LYS 30 3HZ LYS 30 -0.278 -14.723 -4.715 235 H GLN 31 H GLN 31 -2.987 -7.005 -5.245 236 HA GLN 31 HA GLN 31 0.076 -7.041 -5.560 237 1HB GLN 31 2HB GLN 31 0.199 -6.413 -7.765 238 2HB GLN 31 1HB GLN 31 -0.984 -7.707 -7.751 239 1HG GLN 31 2HG GLN 31 -2.766 -5.998 -7.850 240 2HG GLN 31 1HG GLN 31 -1.515 -4.760 -7.981 241 1HE2 GLN 31 1HE2 GLN 31 -3.531 -5.378 -9.875 242 2HE2 GLN 31 2HE2 GLN 31 -2.774 -5.903 -11.324 243 H CYS 32 H CYS 32 1.406 -5.167 -5.562 244 HA CYS 32 HA CYS 32 0.261 -3.259 -3.942 245 1HB CYS 32 2HB CYS 32 2.884 -3.633 -5.340 246 2HB CYS 32 1HB CYS 32 2.514 -2.348 -4.211 247 H LEU 33 H LEU 33 -0.257 -1.160 -4.639 248 HA LEU 33 HA LEU 33 0.444 -0.308 -7.353 249 1HB LEU 33 2HB LEU 33 -1.746 0.215 -8.011 250 2HB LEU 33 1HB LEU 33 -1.823 -1.422 -7.419 251 HG LEU 33 HG LEU 33 -2.787 1.036 -5.943 252 1HD1 LEU 33 1HD1 LEU 33 -4.152 0.543 -7.868 253 2HD1 LEU 33 2HD1 LEU 33 -5.023 0.149 -6.383 254 3HD1 LEU 33 3HD1 LEU 33 -4.310 -1.137 -7.356 255 1HD2 LEU 33 1HD2 LEU 33 -2.110 -0.639 -4.361 256 2HD2 LEU 33 2HD2 LEU 33 -2.945 -1.888 -5.259 257 3HD2 LEU 33 3HD2 LEU 33 -3.877 -0.625 -4.435 258 H ARG 34 H ARG 34 0.577 1.696 -7.635 259 HA ARG 34 HA ARG 34 1.136 3.379 -5.405 260 1HB ARG 34 2HB ARG 34 2.496 3.203 -7.485 261 2HB ARG 34 1HB ARG 34 1.153 3.820 -8.403 262 1HG ARG 34 2HG ARG 34 2.649 5.416 -6.312 263 2HG ARG 34 1HG ARG 34 3.080 5.392 -8.006 264 1HD ARG 34 2HD ARG 34 0.531 6.131 -8.286 265 2HD ARG 34 1HD ARG 34 0.772 6.669 -6.624 266 HE ARG 34 HE ARG 34 2.629 7.490 -8.738 267 1HH1 ARG 34 1HH1 ARG 34 0.385 8.429 -6.158 268 2HH1 ARG 34 2HH1 ARG 34 0.566 10.103 -6.407 269 1HH2 ARG 34 1HH2 ARG 34 2.970 9.794 -8.988 270 2HH2 ARG 34 2HH2 ARG 34 2.091 10.897 -8.021 271 H PHE 35 H PHE 35 0.075 5.048 -4.897 272 HA PHE 35 HA PHE 35 -2.358 5.371 -6.139 273 1HB PHE 35 2HB PHE 35 -3.637 5.912 -3.940 274 2HB PHE 35 1HB PHE 35 -3.031 4.291 -4.198 275 HD1 PHE 35 1HD PHE 35 -3.372 6.885 -1.908 276 HD2 PHE 35 2HD PHE 35 -0.609 3.875 -3.104 277 HE1 PHE 35 1HE PHE 35 -2.338 6.946 0.316 278 HE2 PHE 35 2HE PHE 35 0.428 3.944 -0.883 279 HZ PHE 35 HZ PHE 35 -0.442 5.476 0.835 280 H ASP 36 H ASP 36 -3.226 8.046 -5.154 281 HA ASP 36 HA ASP 36 -0.712 9.427 -5.037 282 1HB ASP 36 2HB ASP 36 -2.407 9.870 -6.926 283 2HB ASP 36 1HB ASP 36 -3.331 10.738 -5.702 284 H TYR 37 H TYR 37 -0.381 9.210 -2.954 285 HA TYR 37 HA TYR 37 -2.290 9.878 -0.898 286 1HB TYR 37 2HB TYR 37 -0.543 8.143 -0.673 287 2HB TYR 37 1HB TYR 37 0.691 9.363 -0.868 288 HD1 TYR 37 1HD TYR 37 1.446 10.635 1.008 289 HD2 TYR 37 2HD TYR 37 -2.064 8.263 1.357 290 HE1 TYR 37 1HE TYR 37 1.412 11.046 3.424 291 HE2 TYR 37 2HE TYR 37 -2.103 8.668 3.772 292 HH TYR 37 HH TYR 37 -0.275 11.063 5.223 293 H THR 38 H THR 38 -2.378 11.983 0.185 294 HA THR 38 HA THR 38 -0.850 13.765 -1.436 295 HB THR 38 HB THR 38 -2.424 15.399 -0.302 296 HG1 THR 38 1HG THR 38 -4.044 13.147 0.113 297 1HG2 THR 38 1HG2 THR 38 -2.640 14.590 -2.633 298 2HG2 THR 38 2HG2 THR 38 -4.214 14.781 -1.864 299 3HG2 THR 38 3HG2 THR 38 -3.516 13.173 -2.052 300 H GLY 39 H GLY 39 -1.272 13.374 2.155 301 1HA GLY 39 2HA GLY 39 1.023 13.305 3.241 302 2HA GLY 39 1HA GLY 39 1.351 14.736 2.287 303 H GLN 40 H GLN 40 -1.878 15.060 3.298 304 HA GLN 40 HA GLN 40 -1.175 15.757 5.954 305 1HB GLN 40 2HB GLN 40 -1.229 17.800 4.526 306 2HB GLN 40 1HB GLN 40 -2.807 17.329 3.928 307 1HG GLN 40 2HG GLN 40 -3.069 19.081 5.521 308 2HG GLN 40 1HG GLN 40 -3.721 17.591 6.186 309 1HE2 GLN 40 1HE2 GLN 40 -2.733 20.056 7.480 310 2HE2 GLN 40 2HE2 GLN 40 -1.549 19.531 8.618 311 H GLY 41 H GLY 41 -2.718 14.237 7.094 312 1HA GLY 41 2HA GLY 41 -4.943 13.724 7.518 313 2HA GLY 41 1HA GLY 41 -5.384 14.458 5.993 314 H GLY 42 H GLY 42 -3.205 11.683 6.726 315 1HA GLY 42 2HA GLY 42 -4.848 10.127 4.837 316 2HA GLY 42 1HA GLY 42 -3.094 10.083 4.839 317 H ASN 43 H ASN 43 -2.990 7.782 5.214 318 HA ASN 43 HA ASN 43 -4.092 6.539 7.674 319 1HB ASN 43 2HB ASN 43 -3.753 4.550 6.334 320 2HB ASN 43 1HB ASN 43 -4.927 5.604 5.567 321 1HD2 ASN 43 1HD2 ASN 43 -4.502 4.399 3.652 322 2HD2 ASN 43 2HD2 ASN 43 -3.115 4.773 2.684 323 H GLU 44 H GLU 44 -2.873 4.905 8.366 324 HA GLU 44 HA GLU 44 0.004 5.545 8.985 325 1HB GLU 44 2HB GLU 44 -1.827 3.361 9.925 326 2HB GLU 44 1HB GLU 44 -0.233 3.766 10.547 327 1HG GLU 44 2HG GLU 44 -2.704 5.475 10.708 328 2HG GLU 44 1HG GLU 44 -1.948 4.588 12.032 329 H ASN 45 H ASN 45 -1.534 3.613 6.691 330 HA ASN 45 HA ASN 45 0.853 1.917 6.487 331 1HB ASN 45 2HB ASN 45 -1.421 0.961 6.112 332 2HB ASN 45 1HB ASN 45 -1.611 2.025 4.726 333 1HD2 ASN 45 1HD2 ASN 45 -0.069 -0.792 5.979 334 2HD2 ASN 45 2HD2 ASN 45 0.501 -1.368 4.458 335 H ASN 46 H ASN 46 2.397 4.190 5.770 336 HA ASN 46 HA ASN 46 2.445 4.303 3.144 337 1HB ASN 46 2HB ASN 46 3.318 5.896 4.689 338 2HB ASN 46 1HB ASN 46 4.328 4.683 5.451 339 1HD2 ASN 46 1HD2 ASN 46 6.226 5.520 5.165 340 2HD2 ASN 46 2HD2 ASN 46 7.018 5.867 3.688 341 H PHE 47 H PHE 47 3.446 3.125 1.631 342 HA PHE 47 HA PHE 47 5.740 1.626 2.454 343 1HB PHE 47 2HB PHE 47 3.885 0.911 0.164 344 2HB PHE 47 1HB PHE 47 5.439 0.134 0.437 345 HD1 PHE 47 1HD PHE 47 2.093 -0.267 0.835 346 HD2 PHE 47 2HD PHE 47 5.682 -0.625 3.057 347 HE1 PHE 47 1HE PHE 47 0.984 -1.847 2.348 348 HE2 PHE 47 2HE PHE 47 4.590 -2.205 4.586 349 HZ PHE 47 HZ PHE 47 2.230 -2.820 4.225 350 H ARG 48 H ARG 48 7.415 2.634 1.531 351 HA ARG 48 HA ARG 48 7.132 4.594 -0.835 352 1HB ARG 48 2HB ARG 48 7.907 5.529 1.393 353 2HB ARG 48 1HB ARG 48 9.355 4.541 1.164 354 1HG ARG 48 2HG ARG 48 10.190 5.947 -0.371 355 2HG ARG 48 1HG ARG 48 8.671 5.982 -1.261 356 1HD ARG 48 2HD ARG 48 9.024 8.245 -0.628 357 2HD ARG 48 1HD ARG 48 7.856 7.684 0.483 358 HE ARG 48 HE ARG 48 10.281 7.130 1.679 359 1HH1 ARG 48 1HH1 ARG 48 8.594 10.047 0.572 360 2HH1 ARG 48 2HH1 ARG 48 9.335 11.089 1.702 361 1HH2 ARG 48 1HH2 ARG 48 11.361 8.578 3.194 362 2HH2 ARG 48 2HH2 ARG 48 10.924 10.217 3.266 363 H ARG 49 H ARG 49 8.155 1.374 -0.222 364 HA ARG 49 HA ARG 49 9.754 1.668 -2.550 365 1HB ARG 49 2HB ARG 49 11.235 1.628 -0.639 366 2HB ARG 49 1HB ARG 49 10.398 0.251 0.043 367 1HG ARG 49 2HG ARG 49 12.458 -0.515 -0.795 368 2HG ARG 49 1HG ARG 49 11.215 -1.087 -1.902 369 1HD ARG 49 2HD ARG 49 11.750 0.773 -3.421 370 2HD ARG 49 1HD ARG 49 13.025 1.289 -2.318 371 HE ARG 49 HE ARG 49 13.351 -1.426 -2.945 372 1HH1 ARG 49 1HH1 ARG 49 14.006 1.798 -4.230 373 2HH1 ARG 49 2HH1 ARG 49 15.058 1.257 -5.456 374 1HH2 ARG 49 1HH2 ARG 49 14.830 -2.172 -4.587 375 2HH2 ARG 49 2HH2 ARG 49 15.560 -1.065 -5.658 376 H THR 50 H THR 50 9.470 -0.281 -3.880 377 HA THR 50 HA THR 50 6.969 -1.521 -3.589 378 HB THR 50 HB THR 50 9.123 -2.228 -5.592 379 HG1 THR 50 1HG THR 50 8.879 -0.141 -5.907 380 1HG2 THR 50 1HG2 THR 50 7.192 -2.774 -7.034 381 2HG2 THR 50 2HG2 THR 50 6.093 -2.387 -5.708 382 3HG2 THR 50 3HG2 THR 50 7.188 -3.762 -5.575 383 H TYR 51 H TYR 51 10.230 -2.793 -2.885 384 HA TYR 51 HA TYR 51 9.231 -5.468 -2.588 385 1HB TYR 51 2HB TYR 51 11.623 -5.163 -2.993 386 2HB TYR 51 1HB TYR 51 11.788 -4.236 -1.506 387 HD1 TYR 51 1HD TYR 51 12.724 -5.367 0.282 388 HD2 TYR 51 2HD TYR 51 10.448 -7.575 -2.545 389 HE1 TYR 51 1HE TYR 51 13.145 -7.428 1.553 390 HE2 TYR 51 2HE TYR 51 10.869 -9.639 -1.289 391 HH TYR 51 HH TYR 51 12.371 -10.535 0.296 392 H ASP 52 H ASP 52 9.514 -2.744 -0.486 393 HA ASP 52 HA ASP 52 8.977 -4.030 2.001 394 1HB ASP 52 2HB ASP 52 8.121 -1.287 1.024 395 2HB ASP 52 1HB ASP 52 7.944 -1.840 2.679 396 H CYS 53 H CYS 53 6.612 -2.685 -0.258 397 HA CYS 53 HA CYS 53 4.326 -3.539 1.206 398 1HB CYS 53 2HB CYS 53 3.029 -3.125 -0.706 399 2HB CYS 53 1HB CYS 53 4.297 -1.916 -0.656 400 H GLN 54 H GLN 54 5.864 -4.825 -1.301 401 HA GLN 54 HA GLN 54 4.736 -7.415 -1.791 402 1HB GLN 54 2HB GLN 54 6.144 -6.646 -3.429 403 2HB GLN 54 1HB GLN 54 7.577 -6.609 -2.375 404 1HG GLN 54 2HG GLN 54 7.418 -9.097 -2.331 405 2HG GLN 54 1HG GLN 54 6.093 -8.968 -3.492 406 1HE2 GLN 54 1HE2 GLN 54 6.558 -8.302 -5.613 407 2HE2 GLN 54 2HE2 GLN 54 8.171 -8.365 -6.223 408 H ARG 55 H ARG 55 7.416 -6.762 0.223 409 HA ARG 55 HA ARG 55 7.781 -9.466 1.270 410 1HB ARG 55 2HB ARG 55 9.519 -7.634 1.314 411 2HB ARG 55 1HB ARG 55 8.525 -6.813 2.505 412 1HG ARG 55 2HG ARG 55 8.828 -8.729 4.015 413 2HG ARG 55 1HG ARG 55 9.895 -9.467 2.813 414 1HD ARG 55 2HD ARG 55 11.286 -7.436 2.867 415 2HD ARG 55 1HD ARG 55 10.280 -6.816 4.171 416 HE ARG 55 HE ARG 55 11.517 -9.398 4.568 417 1HH1 ARG 55 1HH1 ARG 55 11.405 -5.964 5.375 418 2HH1 ARG 55 2HH1 ARG 55 12.722 -6.020 6.471 419 1HH2 ARG 55 1HH2 ARG 55 13.298 -9.485 6.143 420 2HH2 ARG 55 2HH2 ARG 55 13.784 -8.073 6.952 421 H THR 56 H THR 56 5.931 -6.546 2.545 422 HA THR 56 HA THR 56 5.177 -8.265 4.523 423 HB THR 56 HB THR 56 5.261 -5.927 5.009 424 HG1 THR 56 1HG THR 56 2.847 -7.303 5.298 425 1HG2 THR 56 1HG2 THR 56 4.579 -5.035 2.851 426 2HG2 THR 56 2HG2 THR 56 3.601 -4.356 4.156 427 3HG2 THR 56 3HG2 THR 56 2.938 -5.621 3.121 428 H CYS 57 H CYS 57 3.469 -7.423 1.476 429 HA CYS 57 HA CYS 57 1.157 -8.886 2.497 430 1HB CYS 57 2HB CYS 57 1.311 -6.970 0.188 431 2HB CYS 57 1HB CYS 57 -0.130 -7.777 0.791 432 H LEU 58 H LEU 58 3.633 -9.368 0.254 433 HA LEU 58 HA LEU 58 1.936 -11.201 -1.189 434 1HB LEU 58 2HB LEU 58 3.159 -9.559 -2.504 435 2HB LEU 58 1HB LEU 58 4.679 -10.185 -1.907 436 HG LEU 58 HG LEU 58 4.224 -12.327 -3.068 437 1HD1 LEU 58 1HD1 LEU 58 1.826 -10.864 -4.175 438 2HD1 LEU 58 2HD1 LEU 58 1.786 -12.244 -3.077 439 3HD1 LEU 58 3HD1 LEU 58 2.413 -12.435 -4.715 440 1HD2 LEU 58 1HD2 LEU 58 5.554 -10.615 -4.156 441 2HD2 LEU 58 2HD2 LEU 58 4.100 -9.867 -4.810 442 3HD2 LEU 58 3HD2 LEU 58 4.577 -11.479 -5.341 443 H TYR 59 H TYR 59 4.567 -11.106 1.050 444 HA TYR 59 HA TYR 59 5.145 -13.855 0.520 445 1HB TYR 59 2HB TYR 59 6.732 -11.813 2.073 446 2HB TYR 59 1HB TYR 59 7.122 -13.532 2.091 447 HD1 TYR 59 1HD TYR 59 7.569 -14.665 -0.114 448 HD2 TYR 59 2HD TYR 59 7.513 -10.442 0.309 449 HE1 TYR 59 1HE TYR 59 8.827 -14.450 -2.204 450 HE2 TYR 59 2HE TYR 59 8.774 -10.212 -1.788 451 HH TYR 59 HH TYR 59 9.099 -12.788 -3.926 452 H THR 60 H THR 60 3.189 -14.691 1.504 453 HA THR 60 HA THR 60 3.177 -14.769 4.299 454 HB THR 60 HB THR 60 1.835 -12.754 4.003 455 HG1 THR 60 1HG THR 60 0.910 -14.222 5.435 456 1HG2 THR 60 1HG2 THR 60 0.267 -14.226 1.881 457 2HG2 THR 60 2HG2 THR 60 1.391 -12.897 1.613 458 3HG2 THR 60 3HG2 THR 60 -0.107 -12.619 2.501 Start of MODEL 5 1 1H LYS 1 1HT LYS 1 -1.427 -12.469 8.246 2 2H LYS 1 2HT LYS 1 -1.042 -13.163 9.719 3 3H LYS 1 3HT LYS 1 -2.359 -13.756 8.846 4 HA LYS 1 HA LYS 1 0.492 -13.784 8.150 5 1HB LYS 1 2HB LYS 1 0.406 -16.269 8.370 6 2HB LYS 1 1HB LYS 1 0.087 -15.430 9.875 7 1HG LYS 1 2HG LYS 1 -2.286 -15.874 9.651 8 2HG LYS 1 1HG LYS 1 -2.014 -16.628 8.077 9 1HD LYS 1 2HD LYS 1 -2.264 -18.322 9.818 10 2HD LYS 1 1HD LYS 1 -0.629 -18.355 9.155 11 1HE LYS 1 2HE LYS 1 0.117 -16.987 11.084 12 2HE LYS 1 1HE LYS 1 -1.509 -17.097 11.755 13 1HZ LYS 1 1HZ LYS 1 0.363 -19.338 11.249 14 2HZ LYS 1 2HZ LYS 1 -1.226 -19.551 11.746 15 3HZ LYS 1 3HZ LYS 1 -0.112 -18.738 12.761 16 H ASP 2 H ASP 2 -2.782 -14.425 6.962 17 HA ASP 2 HA ASP 2 -1.902 -15.375 4.421 18 1HB ASP 2 2HB ASP 2 -4.255 -15.605 5.271 19 2HB ASP 2 1HB ASP 2 -4.443 -13.859 5.152 20 H ARG 3 H ARG 3 -2.493 -12.379 6.028 21 HA ARG 3 HA ARG 3 -0.410 -11.015 4.892 22 1HB ARG 3 2HB ARG 3 -1.483 -9.340 3.548 23 2HB ARG 3 1HB ARG 3 -2.220 -10.824 2.988 24 1HG ARG 3 2HG ARG 3 -3.445 -8.827 4.896 25 2HG ARG 3 1HG ARG 3 -3.844 -9.015 3.193 26 1HD ARG 3 2HD ARG 3 -4.746 -11.204 3.615 27 2HD ARG 3 1HD ARG 3 -4.211 -11.140 5.295 28 HE ARG 3 HE ARG 3 -6.347 -9.589 4.059 29 1HH1 ARG 3 1HH1 ARG 3 -4.583 -10.526 7.017 30 2HH1 ARG 3 2HH1 ARG 3 -5.854 -10.209 8.089 31 1HH2 ARG 3 1HH2 ARG 3 -8.124 -9.087 5.553 32 2HH2 ARG 3 2HH2 ARG 3 -7.918 -9.312 7.243 33 HA PRO 4 HA PRO 4 -1.619 -8.680 8.773 34 1HB PRO 4 2HB PRO 4 -0.697 -6.324 7.249 35 2HB PRO 4 1HB PRO 4 -0.123 -6.933 8.804 36 1HG PRO 4 2HG PRO 4 1.407 -7.113 6.658 37 2HG PRO 4 1HG PRO 4 1.325 -8.467 7.803 38 1HD PRO 4 2HD PRO 4 -0.030 -8.137 5.159 39 2HD PRO 4 1HD PRO 4 0.786 -9.562 5.838 40 H SER 5 H SER 5 -3.495 -7.638 9.283 41 HA SER 5 HA SER 5 -5.542 -7.328 7.542 42 1HB SER 5 2HB SER 5 -5.180 -6.010 10.219 43 2HB SER 5 1HB SER 5 -6.721 -6.233 9.387 44 HG SER 5 HG SER 5 -6.708 -8.264 9.824 45 H LEU 6 H LEU 6 -2.890 -5.130 7.946 46 HA LEU 6 HA LEU 6 -4.390 -2.780 7.302 47 1HB LEU 6 2HB LEU 6 -2.123 -1.732 7.451 48 2HB LEU 6 1HB LEU 6 -2.746 -2.416 8.928 49 HG LEU 6 HG LEU 6 -1.242 -4.412 8.512 50 1HD1 LEU 6 1HD1 LEU 6 0.682 -4.117 7.060 51 2HD1 LEU 6 2HD1 LEU 6 0.021 -2.591 6.474 52 3HD1 LEU 6 3HD1 LEU 6 -0.822 -4.104 6.138 53 1HD2 LEU 6 1HD2 LEU 6 0.033 -1.716 8.897 54 2HD2 LEU 6 2HD2 LEU 6 0.741 -3.265 9.349 55 3HD2 LEU 6 3HD2 LEU 6 -0.731 -2.704 10.142 56 H CYS 7 H CYS 7 -3.217 -5.290 5.640 57 HA CYS 7 HA CYS 7 -2.450 -3.829 3.274 58 1HB CYS 7 2HB CYS 7 -3.152 -6.751 3.591 59 2HB CYS 7 1HB CYS 7 -2.362 -6.029 2.190 60 H ASP 8 H ASP 8 -5.259 -4.897 4.724 61 HA ASP 8 HA ASP 8 -7.021 -4.669 2.413 62 1HB ASP 8 2HB ASP 8 -7.236 -6.599 4.065 63 2HB ASP 8 1HB ASP 8 -7.751 -5.424 5.269 64 H LEU 9 H LEU 9 -5.685 -2.358 3.182 65 HA LEU 9 HA LEU 9 -6.466 -0.965 5.502 66 1HB LEU 9 2HB LEU 9 -4.981 0.691 4.650 67 2HB LEU 9 1HB LEU 9 -4.232 -0.874 4.401 68 HG LEU 9 HG LEU 9 -5.760 0.409 2.147 69 1HD1 LEU 9 1HD1 LEU 9 -4.250 2.135 2.917 70 2HD1 LEU 9 2HD1 LEU 9 -3.707 1.463 1.380 71 3HD1 LEU 9 3HD1 LEU 9 -2.909 0.991 2.881 72 1HD2 LEU 9 1HD2 LEU 9 -3.344 -1.380 2.252 73 2HD2 LEU 9 2HD2 LEU 9 -4.145 -0.799 0.789 74 3HD2 LEU 9 3HD2 LEU 9 -4.997 -1.884 1.893 75 HA PRO 10 HA PRO 10 -9.341 1.598 3.368 76 1HB PRO 10 2HB PRO 10 -8.180 4.051 4.484 77 2HB PRO 10 1HB PRO 10 -9.773 3.339 4.766 78 1HG PRO 10 2HG PRO 10 -7.807 3.366 6.641 79 2HG PRO 10 1HG PRO 10 -9.044 2.097 6.547 80 1HD PRO 10 2HD PRO 10 -6.216 2.060 5.605 81 2HD PRO 10 1HD PRO 10 -7.168 0.775 6.377 82 H ALA 11 H ALA 11 -8.905 1.572 1.337 83 HA ALA 11 HA ALA 11 -6.451 2.765 0.041 84 1HB ALA 11 1HB ALA 11 -9.049 1.570 -1.092 85 2HB ALA 11 2HB ALA 11 -7.482 0.771 -1.136 86 3HB ALA 11 3HB ALA 11 -7.759 2.225 -2.097 87 H ASP 12 H ASP 12 -6.621 4.562 0.969 88 HA ASP 12 HA ASP 12 -8.861 6.325 0.351 89 1HB ASP 12 2HB ASP 12 -9.016 5.719 2.750 90 2HB ASP 12 1HB ASP 12 -7.363 6.274 2.982 91 H SER 13 H SER 13 -8.533 8.490 -0.006 92 HA SER 13 HA SER 13 -5.894 8.839 -1.269 93 1HB SER 13 2HB SER 13 -7.289 10.728 -2.355 94 2HB SER 13 1HB SER 13 -7.510 9.057 -2.888 95 HG SER 13 HG SER 13 -9.170 10.691 -1.351 96 H GLY 14 H GLY 14 -7.569 10.236 1.403 97 1HA GLY 14 2HA GLY 14 -6.180 11.268 3.021 98 2HA GLY 14 1HA GLY 14 -5.022 11.628 1.756 99 H SER 15 H SER 15 -5.398 13.618 3.416 100 HA SER 15 HA SER 15 -7.467 15.277 2.249 101 1HB SER 15 2HB SER 15 -7.600 16.361 4.528 102 2HB SER 15 1HB SER 15 -8.260 14.735 4.358 103 HG SER 15 HG SER 15 -7.025 14.262 5.924 104 H GLY 16 H GLY 16 -4.304 15.061 1.889 105 1HA GLY 16 2HA GLY 16 -3.374 17.384 3.296 106 2HA GLY 16 1HA GLY 16 -2.428 16.228 2.388 107 H THR 17 H THR 17 -1.696 18.520 2.142 108 HA THR 17 HA THR 17 -2.807 19.950 -0.259 109 HB THR 17 HB THR 17 -0.666 20.849 1.673 110 HG1 THR 17 1HG THR 17 -2.573 20.641 2.880 111 1HG2 THR 17 1HG2 THR 17 -2.448 22.373 -0.257 112 2HG2 THR 17 2HG2 THR 17 -0.737 22.024 -0.509 113 3HG2 THR 17 3HG2 THR 17 -1.237 23.086 0.809 114 H LYS 18 H LYS 18 -0.307 17.614 0.291 115 HA LYS 18 HA LYS 18 1.609 18.682 -1.738 116 1HB LYS 18 2HB LYS 18 2.346 18.384 0.686 117 2HB LYS 18 1HB LYS 18 1.765 16.738 0.585 118 1HG LYS 18 2HG LYS 18 3.428 16.314 -1.195 119 2HG LYS 18 1HG LYS 18 4.033 17.957 -0.972 120 1HD LYS 18 2HD LYS 18 4.599 17.481 1.327 121 2HD LYS 18 1HD LYS 18 3.895 15.870 1.200 122 1HE LYS 18 2HE LYS 18 5.552 15.279 -0.488 123 2HE LYS 18 1HE LYS 18 6.250 16.895 -0.368 124 1HZ LYS 18 1HZ LYS 18 6.117 14.921 1.856 125 2HZ LYS 18 2HZ LYS 18 6.830 16.438 1.927 126 3HZ LYS 18 3HZ LYS 18 7.478 15.259 0.912 127 H ALA 19 H ALA 19 2.517 17.049 -3.039 128 HA ALA 19 HA ALA 19 0.781 14.657 -3.410 129 1HB ALA 19 1HB ALA 19 1.508 14.648 -5.729 130 2HB ALA 19 2HB ALA 19 2.524 16.061 -5.447 131 3HB ALA 19 3HB ALA 19 0.768 16.207 -5.372 132 H GLU 20 H GLU 20 1.617 12.793 -3.005 133 HA GLU 20 HA GLU 20 4.455 12.617 -2.870 134 1HB GLU 20 2HB GLU 20 3.770 13.102 -0.657 135 2HB GLU 20 1HB GLU 20 2.433 11.977 -0.738 136 1HG GLU 20 2HG GLU 20 4.090 11.103 0.698 137 2HG GLU 20 1HG GLU 20 4.060 10.127 -0.761 138 H LYS 21 H LYS 21 5.000 10.620 -3.885 139 HA LYS 21 HA LYS 21 2.794 8.838 -4.851 140 1HB LYS 21 2HB LYS 21 4.297 10.161 -6.467 141 2HB LYS 21 1HB LYS 21 5.646 9.270 -5.807 142 1HG LYS 21 2HG LYS 21 3.314 7.910 -7.141 143 2HG LYS 21 1HG LYS 21 4.685 8.533 -8.042 144 1HD LYS 21 2HD LYS 21 4.865 6.478 -5.833 145 2HD LYS 21 1HD LYS 21 4.796 6.096 -7.553 146 1HE LYS 21 2HE LYS 21 6.872 7.402 -7.874 147 2HE LYS 21 1HE LYS 21 6.946 7.659 -6.129 148 1HZ LYS 21 1HZ LYS 21 6.926 5.010 -7.449 149 2HZ LYS 21 2HZ LYS 21 7.195 5.281 -5.796 150 3HZ LYS 21 3HZ LYS 21 8.319 5.793 -6.953 151 H ARG 22 H ARG 22 2.354 7.321 -3.378 152 HA ARG 22 HA ARG 22 4.769 5.938 -2.929 153 1HB ARG 22 2HB ARG 22 2.680 6.411 -0.830 154 2HB ARG 22 1HB ARG 22 3.994 5.256 -0.617 155 1HG ARG 22 2HG ARG 22 5.542 7.190 -1.188 156 2HG ARG 22 1HG ARG 22 4.144 8.223 -0.938 157 1HD ARG 22 2HD ARG 22 3.953 7.049 1.347 158 2HD ARG 22 1HD ARG 22 5.569 6.471 0.998 159 HE ARG 22 HE ARG 22 5.870 9.035 0.503 160 1HH1 ARG 22 1HH1 ARG 22 4.690 7.302 3.316 161 2HH1 ARG 22 2HH1 ARG 22 4.868 8.625 4.392 162 1HH2 ARG 22 1HH2 ARG 22 6.101 10.850 1.912 163 2HH2 ARG 22 2HH2 ARG 22 5.688 10.729 3.560 164 H ILE 23 H ILE 23 3.619 3.445 -1.518 165 HA ILE 23 HA ILE 23 1.696 2.674 -3.562 166 HB ILE 23 HB ILE 23 3.971 1.951 -4.353 167 1HG1 ILE 23 2HG1 ILE 23 2.363 -0.439 -3.473 168 2HG1 ILE 23 1HG1 ILE 23 1.950 0.573 -4.851 169 1HG2 ILE 23 1HG2 ILE 23 5.099 1.647 -2.196 170 2HG2 ILE 23 2HG2 ILE 23 5.166 0.171 -3.185 171 3HG2 ILE 23 3HG2 ILE 23 4.029 0.272 -1.863 172 1HD1 ILE 23 1HD1 ILE 23 3.091 -1.440 -5.557 173 2HD1 ILE 23 2HD1 ILE 23 4.467 -1.043 -4.527 174 3HD1 ILE 23 3HD1 ILE 23 4.078 -0.019 -5.910 175 H TYR 24 H TYR 24 0.247 0.975 -2.852 176 HA TYR 24 HA TYR 24 0.544 0.148 -0.062 177 1HB TYR 24 2HB TYR 24 -1.778 0.636 0.446 178 2HB TYR 24 1HB TYR 24 -1.047 2.114 -0.137 179 HD1 TYR 24 1HD TYR 24 -3.818 -0.006 -0.328 180 HD2 TYR 24 2HD TYR 24 -1.518 2.599 -2.740 181 HE1 TYR 24 1HE TYR 24 -5.725 0.251 -1.841 182 HE2 TYR 24 2HE TYR 24 -3.439 2.844 -4.282 183 HH TYR 24 HH TYR 24 -5.488 1.780 -4.915 184 H TYR 25 H TYR 25 -1.028 -1.880 0.313 185 HA TYR 25 HA TYR 25 -0.751 -3.432 -1.906 186 1HB TYR 25 2HB TYR 25 -0.386 -4.207 0.298 187 2HB TYR 25 1HB TYR 25 -2.045 -3.853 0.755 188 HD1 TYR 25 1HD TYR 25 -0.035 -5.974 -1.579 189 HD2 TYR 25 2HD TYR 25 -3.652 -5.519 0.598 190 HE1 TYR 25 1HE TYR 25 -0.656 -8.298 -2.119 191 HE2 TYR 25 2HE TYR 25 -4.277 -7.818 0.069 192 HH TYR 25 HH TYR 25 -2.133 -10.073 -1.106 193 H ASN 26 H ASN 26 -2.548 -3.965 -3.372 194 HA ASN 26 HA ASN 26 -5.248 -3.089 -2.571 195 1HB ASN 26 2HB ASN 26 -4.398 -2.397 -4.869 196 2HB ASN 26 1HB ASN 26 -4.248 -4.104 -5.251 197 1HD2 ASN 26 1HD2 ASN 26 -5.992 -1.768 -6.230 198 2HD2 ASN 26 2HD2 ASN 26 -7.580 -2.417 -6.195 199 H SER 27 H SER 27 -6.420 -4.221 -1.695 200 HA SER 27 HA SER 27 -5.513 -6.732 -1.040 201 1HB SER 27 2HB SER 27 -6.635 -5.374 0.622 202 2HB SER 27 1HB SER 27 -8.138 -5.432 -0.290 203 HG SER 27 HG SER 27 -8.291 -6.826 1.350 204 H ALA 28 H ALA 28 -8.045 -5.668 -3.195 205 HA ALA 28 HA ALA 28 -9.241 -8.224 -3.549 206 1HB ALA 28 1HB ALA 28 -10.523 -7.150 -5.342 207 2HB ALA 28 2HB ALA 28 -9.500 -5.724 -5.201 208 3HB ALA 28 3HB ALA 28 -10.532 -6.208 -3.852 209 H ARG 29 H ARG 29 -6.990 -6.242 -5.174 210 HA ARG 29 HA ARG 29 -6.716 -8.061 -7.451 211 1HB ARG 29 2HB ARG 29 -5.234 -5.480 -6.958 212 2HB ARG 29 1HB ARG 29 -4.718 -6.582 -8.217 213 1HG ARG 29 2HG ARG 29 -6.061 -4.896 -9.239 214 2HG ARG 29 1HG ARG 29 -7.004 -6.383 -9.233 215 1HD ARG 29 2HD ARG 29 -8.245 -5.593 -7.292 216 2HD ARG 29 1HD ARG 29 -7.266 -4.128 -7.248 217 HE ARG 29 HE ARG 29 -9.407 -4.785 -9.104 218 1HH1 ARG 29 1HH1 ARG 29 -6.710 -2.573 -8.534 219 2HH1 ARG 29 2HH1 ARG 29 -7.514 -1.215 -9.177 220 1HH2 ARG 29 1HH2 ARG 29 -10.522 -2.872 -9.957 221 2HH2 ARG 29 2HH2 ARG 29 -9.714 -1.382 -9.967 222 H LYS 30 H LYS 30 -5.576 -8.045 -4.515 223 HA LYS 30 HA LYS 30 -3.830 -8.903 -3.267 224 1HB LYS 30 2HB LYS 30 -5.044 -10.917 -4.136 225 2HB LYS 30 1HB LYS 30 -3.970 -10.975 -5.512 226 1HG LYS 30 2HG LYS 30 -2.618 -11.169 -2.897 227 2HG LYS 30 1HG LYS 30 -3.743 -12.478 -3.247 228 1HD LYS 30 2HD LYS 30 -2.556 -12.921 -5.351 229 2HD LYS 30 1HD LYS 30 -1.450 -11.592 -5.002 230 1HE LYS 30 2HE LYS 30 -0.420 -13.718 -4.436 231 2HE LYS 30 1HE LYS 30 -0.689 -12.762 -2.983 232 1HZ LYS 30 1HZ LYS 30 -1.268 -15.123 -2.711 233 2HZ LYS 30 2HZ LYS 30 -2.433 -14.991 -3.909 234 3HZ LYS 30 3HZ LYS 30 -2.619 -14.153 -2.463 235 H GLN 31 H GLN 31 -3.136 -7.140 -4.890 236 HA GLN 31 HA GLN 31 -0.074 -7.265 -5.323 237 1HB GLN 31 2HB GLN 31 -0.063 -6.424 -7.518 238 2HB GLN 31 1HB GLN 31 -1.160 -7.792 -7.516 239 1HG GLN 31 2HG GLN 31 -3.051 -6.211 -7.414 240 2HG GLN 31 1HG GLN 31 -1.902 -4.881 -7.518 241 1HE2 GLN 31 1HE2 GLN 31 -0.776 -4.567 -9.444 242 2HE2 GLN 31 2HE2 GLN 31 -1.325 -5.210 -10.943 243 H CYS 32 H CYS 32 1.293 -5.394 -5.074 244 HA CYS 32 HA CYS 32 -0.373 -3.808 -3.715 245 1HB CYS 32 2HB CYS 32 1.837 -2.599 -2.952 246 2HB CYS 32 1HB CYS 32 1.415 -4.195 -2.356 247 H LEU 33 H LEU 33 -0.550 -1.415 -4.450 248 HA LEU 33 HA LEU 33 0.749 -0.524 -6.934 249 1HB LEU 33 2HB LEU 33 -1.438 -0.097 -7.958 250 2HB LEU 33 1HB LEU 33 -1.105 -1.801 -7.834 251 HG LEU 33 HG LEU 33 -2.664 -1.830 -5.827 252 1HD1 LEU 33 1HD1 LEU 33 -2.676 0.540 -5.334 253 2HD1 LEU 33 2HD1 LEU 33 -4.305 -0.046 -5.687 254 3HD1 LEU 33 3HD1 LEU 33 -3.411 0.871 -6.898 255 1HD2 LEU 33 1HD2 LEU 33 -3.764 -1.070 -8.515 256 2HD2 LEU 33 2HD2 LEU 33 -4.656 -1.879 -7.225 257 3HD2 LEU 33 3HD2 LEU 33 -3.290 -2.686 -7.996 258 H ARG 34 H ARG 34 0.561 1.391 -7.473 259 HA ARG 34 HA ARG 34 1.173 2.978 -5.204 260 1HB ARG 34 2HB ARG 34 2.513 2.863 -7.290 261 2HB ARG 34 1HB ARG 34 1.195 3.598 -8.169 262 1HG ARG 34 2HG ARG 34 2.681 4.980 -5.940 263 2HG ARG 34 1HG ARG 34 3.171 5.061 -7.623 264 1HD ARG 34 2HD ARG 34 0.532 5.994 -6.497 265 2HD ARG 34 1HD ARG 34 1.897 7.029 -6.871 266 HE ARG 34 HE ARG 34 1.589 5.967 -9.207 267 1HH1 ARG 34 1HH1 ARG 34 -0.854 7.122 -7.001 268 2HH1 ARG 34 2HH1 ARG 34 -2.067 7.430 -8.147 269 1HH2 ARG 34 1HH2 ARG 34 0.027 6.469 -10.887 270 2HH2 ARG 34 2HH2 ARG 34 -1.506 7.067 -10.486 271 H PHE 35 H PHE 35 0.244 4.712 -4.511 272 HA PHE 35 HA PHE 35 -2.208 5.178 -5.635 273 1HB PHE 35 2HB PHE 35 -3.320 5.939 -3.408 274 2HB PHE 35 1HB PHE 35 -2.772 4.283 -3.515 275 HD1 PHE 35 1HD PHE 35 -2.989 7.019 -1.451 276 HD2 PHE 35 2HD PHE 35 -0.202 4.007 -2.577 277 HE1 PHE 35 1HE PHE 35 -1.809 7.320 0.682 278 HE2 PHE 35 2HE PHE 35 0.990 4.309 -0.446 279 HZ PHE 35 HZ PHE 35 0.184 5.963 1.190 280 H ASP 36 H ASP 36 -2.878 7.892 -4.823 281 HA ASP 36 HA ASP 36 -0.362 9.219 -4.745 282 1HB ASP 36 2HB ASP 36 -1.838 9.843 -6.604 283 2HB ASP 36 1HB ASP 36 -3.113 10.257 -5.468 284 H TYR 37 H TYR 37 0.169 10.045 -2.852 285 HA TYR 37 HA TYR 37 -1.884 10.306 -0.757 286 1HB TYR 37 2HB TYR 37 -0.084 8.638 -0.420 287 2HB TYR 37 1HB TYR 37 1.116 9.868 -0.721 288 HD1 TYR 37 1HD TYR 37 2.257 10.459 1.192 289 HD2 TYR 37 2HD TYR 37 -1.894 9.595 1.512 290 HE1 TYR 37 1HE TYR 37 2.344 10.967 3.592 291 HE2 TYR 37 2HE TYR 37 -1.816 10.103 3.915 292 HH TYR 37 HH TYR 37 0.813 11.681 5.343 293 H THR 38 H THR 38 -2.218 12.429 0.182 294 HA THR 38 HA THR 38 -0.795 14.332 -1.287 295 HB THR 38 HB THR 38 -2.674 15.744 -0.095 296 HG1 THR 38 1HG THR 38 -4.207 13.453 -0.192 297 1HG2 THR 38 1HG2 THR 38 -2.556 15.288 -2.519 298 2HG2 THR 38 2HG2 THR 38 -4.214 15.171 -1.926 299 3HG2 THR 38 3HG2 THR 38 -3.288 13.705 -2.255 300 H GLY 39 H GLY 39 0.532 13.041 0.792 301 1HA GLY 39 2HA GLY 39 1.934 13.416 2.532 302 2HA GLY 39 1HA GLY 39 1.550 15.108 2.338 303 H GLN 40 H GLN 40 -1.529 14.329 3.209 304 HA GLN 40 HA GLN 40 -0.749 13.983 5.925 305 1HB GLN 40 2HB GLN 40 -1.000 16.373 5.560 306 2HB GLN 40 1HB GLN 40 -2.567 16.129 4.808 307 1HG GLN 40 2HG GLN 40 -2.860 16.966 7.037 308 2HG GLN 40 1HG GLN 40 -3.447 15.308 6.945 309 1HE2 GLN 40 1HE2 GLN 40 -3.242 14.870 9.059 310 2HE2 GLN 40 2HE2 GLN 40 -1.735 14.759 9.898 311 H GLY 41 H GLY 41 -2.509 12.675 6.991 312 1HA GLY 41 2HA GLY 41 -4.792 12.136 7.185 313 2HA GLY 41 1HA GLY 41 -5.053 12.865 5.618 314 H GLY 42 H GLY 42 -2.906 10.194 6.581 315 1HA GLY 42 2HA GLY 42 -4.192 8.749 4.372 316 2HA GLY 42 1HA GLY 42 -2.506 8.571 4.821 317 H ASN 43 H ASN 43 -2.716 6.430 4.920 318 HA ASN 43 HA ASN 43 -4.197 4.988 7.020 319 1HB ASN 43 2HB ASN 43 -4.015 3.237 5.197 320 2HB ASN 43 1HB ASN 43 -5.182 4.506 4.854 321 1HD2 ASN 43 1HD2 ASN 43 -5.072 4.186 2.641 322 2HD2 ASN 43 2HD2 ASN 43 -3.691 4.621 1.678 323 H GLU 44 H GLU 44 -3.100 3.144 7.600 324 HA GLU 44 HA GLU 44 -0.300 3.629 8.282 325 1HB GLU 44 2HB GLU 44 -2.206 1.397 8.902 326 2HB GLU 44 1HB GLU 44 -0.590 1.601 9.567 327 1HG GLU 44 2HG GLU 44 -2.906 3.481 9.946 328 2HG GLU 44 1HG GLU 44 -2.293 2.335 11.136 329 H ASN 45 H ASN 45 -1.974 1.819 5.859 330 HA ASN 45 HA ASN 45 0.401 0.241 5.411 331 1HB ASN 45 2HB ASN 45 -1.903 -0.643 4.899 332 2HB ASN 45 1HB ASN 45 -2.045 0.570 3.644 333 1HD2 ASN 45 1HD2 ASN 45 -0.680 -2.416 4.566 334 2HD2 ASN 45 2HD2 ASN 45 -0.006 -2.887 3.045 335 H ASN 46 H ASN 46 1.986 1.495 4.862 336 HA ASN 46 HA ASN 46 1.650 3.470 2.708 337 1HB ASN 46 2HB ASN 46 1.248 4.613 4.885 338 2HB ASN 46 1HB ASN 46 2.821 4.085 5.441 339 1HD2 ASN 46 1HD2 ASN 46 1.726 6.752 5.220 340 2HD2 ASN 46 2HD2 ASN 46 2.770 7.654 4.192 341 H PHE 47 H PHE 47 3.133 2.729 1.265 342 HA PHE 47 HA PHE 47 5.609 1.983 2.484 343 1HB PHE 47 2HB PHE 47 4.406 0.794 0.002 344 2HB PHE 47 1HB PHE 47 6.007 0.383 0.634 345 HD1 PHE 47 1HD PHE 47 2.602 -0.428 0.723 346 HD2 PHE 47 2HD PHE 47 6.074 -0.239 3.160 347 HE1 PHE 47 1HE PHE 47 1.552 -1.932 2.343 348 HE2 PHE 47 2HE PHE 47 5.029 -1.754 4.777 349 HZ PHE 47 HZ PHE 47 2.759 -2.595 4.366 350 H ARG 48 H ARG 48 7.421 2.832 1.598 351 HA ARG 48 HA ARG 48 7.173 4.998 -0.465 352 1HB ARG 48 2HB ARG 48 8.089 5.485 1.815 353 2HB ARG 48 1HB ARG 48 9.398 4.375 1.485 354 1HG ARG 48 2HG ARG 48 10.434 6.319 0.901 355 2HG ARG 48 1HG ARG 48 9.661 5.985 -0.647 356 1HD ARG 48 2HD ARG 48 9.284 8.335 -0.016 357 2HD ARG 48 1HD ARG 48 7.760 7.488 0.022 358 HE ARG 48 HE ARG 48 8.209 7.220 2.501 359 1HH1 ARG 48 1HH1 ARG 48 9.325 10.098 0.684 360 2HH1 ARG 48 2HH1 ARG 48 9.430 11.040 2.098 361 1HH2 ARG 48 1HH2 ARG 48 8.333 8.592 4.370 362 2HH2 ARG 48 2HH2 ARG 48 8.827 10.197 4.216 363 H ARG 49 H ARG 49 8.108 1.637 -0.156 364 HA ARG 49 HA ARG 49 9.767 1.962 -2.450 365 1HB ARG 49 2HB ARG 49 11.133 1.882 -0.417 366 2HB ARG 49 1HB ARG 49 10.352 0.389 0.055 367 1HG ARG 49 2HG ARG 49 11.341 -0.695 -1.933 368 2HG ARG 49 1HG ARG 49 12.189 0.812 -2.287 369 1HD ARG 49 2HD ARG 49 12.452 -0.831 0.231 370 2HD ARG 49 1HD ARG 49 13.637 -0.736 -1.069 371 HE ARG 49 HE ARG 49 14.105 1.495 -0.458 372 1HH1 ARG 49 1HH1 ARG 49 11.842 -0.062 1.813 373 2HH1 ARG 49 2HH1 ARG 49 12.226 0.948 3.122 374 1HH2 ARG 49 1HH2 ARG 49 14.642 2.892 1.399 375 2HH2 ARG 49 2HH2 ARG 49 13.852 2.634 2.886 376 H THR 50 H THR 50 9.677 0.064 -3.741 377 HA THR 50 HA THR 50 7.160 -1.207 -3.788 378 HB THR 50 HB THR 50 8.278 -0.455 -5.823 379 HG1 THR 50 1HG THR 50 8.146 -2.526 -7.014 380 1HG2 THR 50 1HG2 THR 50 10.247 -2.694 -5.329 381 2HG2 THR 50 2HG2 THR 50 10.590 -0.963 -5.263 382 3HG2 THR 50 3HG2 THR 50 10.154 -1.717 -6.794 383 H TYR 51 H TYR 51 10.294 -2.493 -2.685 384 HA TYR 51 HA TYR 51 9.280 -5.222 -2.617 385 1HB TYR 51 2HB TYR 51 11.739 -4.704 -2.760 386 2HB TYR 51 1HB TYR 51 11.654 -4.055 -1.129 387 HD1 TYR 51 1HD TYR 51 12.130 -5.483 0.650 388 HD2 TYR 51 2HD TYR 51 10.925 -7.149 -3.070 389 HE1 TYR 51 1HE TYR 51 12.555 -7.740 1.523 390 HE2 TYR 51 2HE TYR 51 11.347 -9.405 -2.208 391 HH TYR 51 HH TYR 51 12.604 -10.489 -0.524 392 H ASP 52 H ASP 52 9.319 -2.509 -0.543 393 HA ASP 52 HA ASP 52 8.754 -3.858 1.887 394 1HB ASP 52 2HB ASP 52 8.168 -1.041 0.996 395 2HB ASP 52 1HB ASP 52 7.658 -1.630 2.573 396 H CYS 53 H CYS 53 6.444 -2.465 -0.411 397 HA CYS 53 HA CYS 53 4.123 -3.354 0.962 398 1HB CYS 53 2HB CYS 53 2.919 -3.171 -1.166 399 2HB CYS 53 1HB CYS 53 3.938 -1.777 -0.872 400 H GLN 54 H GLN 54 5.734 -4.672 -1.435 401 HA GLN 54 HA GLN 54 4.591 -7.247 -1.806 402 1HB GLN 54 2HB GLN 54 5.994 -6.736 -3.495 403 2HB GLN 54 1HB GLN 54 7.455 -6.626 -2.469 404 1HG GLN 54 2HG GLN 54 7.153 -9.102 -2.115 405 2HG GLN 54 1HG GLN 54 5.873 -9.045 -3.323 406 1HE2 GLN 54 1HE2 GLN 54 6.954 -10.419 -4.704 407 2HE2 GLN 54 2HE2 GLN 54 8.356 -9.931 -5.587 408 H ARG 55 H ARG 55 7.287 -6.584 0.199 409 HA ARG 55 HA ARG 55 7.640 -9.262 1.238 410 1HB ARG 55 2HB ARG 55 9.444 -7.583 1.333 411 2HB ARG 55 1HB ARG 55 8.474 -6.608 2.424 412 1HG ARG 55 2HG ARG 55 8.536 -8.417 4.071 413 2HG ARG 55 1HG ARG 55 9.554 -9.355 2.974 414 1HD ARG 55 2HD ARG 55 11.213 -7.574 3.011 415 2HD ARG 55 1HD ARG 55 10.211 -6.660 4.126 416 HE ARG 55 HE ARG 55 10.833 -9.317 5.010 417 1HH1 ARG 55 1HH1 ARG 55 11.877 -5.921 5.075 418 2HH1 ARG 55 2HH1 ARG 55 12.872 -6.115 6.442 419 1HH2 ARG 55 1HH2 ARG 55 12.292 -9.582 6.836 420 2HH2 ARG 55 2HH2 ARG 55 13.115 -8.209 7.452 421 H THR 56 H THR 56 5.913 -6.371 2.716 422 HA THR 56 HA THR 56 5.252 -8.115 4.769 423 HB THR 56 HB THR 56 5.514 -5.713 5.138 424 HG1 THR 56 1HG THR 56 3.827 -7.171 6.311 425 1HG2 THR 56 1HG2 THR 56 3.767 -4.155 4.453 426 2HG2 THR 56 2HG2 THR 56 2.966 -5.453 3.570 427 3HG2 THR 56 3HG2 THR 56 4.563 -4.897 3.065 428 H CYS 57 H CYS 57 3.384 -7.159 1.856 429 HA CYS 57 HA CYS 57 1.108 -8.601 2.989 430 1HB CYS 57 2HB CYS 57 1.144 -6.734 0.636 431 2HB CYS 57 1HB CYS 57 -0.276 -7.480 1.347 432 H LEU 58 H LEU 58 3.504 -9.149 0.616 433 HA LEU 58 HA LEU 58 1.689 -10.938 -0.744 434 1HB LEU 58 2HB LEU 58 2.897 -9.379 -2.180 435 2HB LEU 58 1HB LEU 58 4.425 -10.042 -1.644 436 HG LEU 58 HG LEU 58 3.796 -12.218 -2.687 437 1HD1 LEU 58 1HD1 LEU 58 1.934 -12.287 -4.252 438 2HD1 LEU 58 2HD1 LEU 58 1.464 -10.658 -3.774 439 3HD1 LEU 58 3HD1 LEU 58 1.386 -11.981 -2.605 440 1HD2 LEU 58 1HD2 LEU 58 5.201 -10.668 -3.908 441 2HD2 LEU 58 2HD2 LEU 58 3.776 -9.815 -4.507 442 3HD2 LEU 58 3HD2 LEU 58 4.091 -11.472 -5.021 443 H TYR 59 H TYR 59 4.435 -10.978 1.403 444 HA TYR 59 HA TYR 59 4.975 -13.765 0.814 445 1HB TYR 59 2HB TYR 59 6.415 -11.822 2.634 446 2HB TYR 59 1HB TYR 59 6.792 -13.531 2.533 447 HD1 TYR 59 1HD TYR 59 8.267 -14.325 0.917 448 HD2 TYR 59 2HD TYR 59 6.719 -10.402 0.533 449 HE1 TYR 59 1HE TYR 59 9.858 -13.887 -0.900 450 HE2 TYR 59 2HE TYR 59 8.301 -9.946 -1.288 451 HH TYR 59 HH TYR 59 9.911 -12.331 -2.887 452 H THR 60 H THR 60 2.966 -14.247 1.356 453 HA THR 60 HA THR 60 2.318 -14.456 4.129 454 HB THR 60 HB THR 60 0.441 -14.281 2.659 455 HG1 THR 60 1HG THR 60 0.180 -15.662 4.394 456 1HG2 THR 60 1HG2 THR 60 -0.112 -15.931 0.906 457 2HG2 THR 60 2HG2 THR 60 1.420 -16.752 1.214 458 3HG2 THR 60 3HG2 THR 60 1.413 -15.108 0.575 Start of MODEL 6 1 1H LYS 1 1HT LYS 1 2.727 -16.285 10.019 2 2H LYS 1 2HT LYS 1 1.046 -16.231 9.943 3 3H LYS 1 3HT LYS 1 1.913 -14.866 9.548 4 HA LYS 1 HA LYS 1 2.826 -15.972 7.615 5 1HB LYS 1 2HB LYS 1 2.741 -18.290 8.644 6 2HB LYS 1 1HB LYS 1 1.003 -18.262 8.505 7 1HG LYS 1 2HG LYS 1 2.870 -18.205 6.122 8 2HG LYS 1 1HG LYS 1 2.247 -19.686 6.839 9 1HD LYS 1 2HD LYS 1 -0.071 -18.797 6.377 10 2HD LYS 1 1HD LYS 1 0.690 -17.485 5.481 11 1HE LYS 1 2HE LYS 1 0.924 -20.438 4.872 12 2HE LYS 1 1HE LYS 1 -0.046 -19.269 3.985 13 1HZ LYS 1 1HZ LYS 1 2.932 -19.272 4.177 14 2HZ LYS 1 2HZ LYS 1 2.013 -18.105 3.405 15 3HZ LYS 1 3HZ LYS 1 2.002 -19.690 2.825 16 H ASP 2 H ASP 2 -0.494 -15.871 8.857 17 HA ASP 2 HA ASP 2 -1.577 -15.239 6.296 18 1HB ASP 2 2HB ASP 2 -3.027 -16.081 8.166 19 2HB ASP 2 1HB ASP 2 -2.682 -14.613 9.070 20 H ARG 3 H ARG 3 -2.530 -13.170 5.705 21 HA ARG 3 HA ARG 3 -0.529 -11.259 5.352 22 1HB ARG 3 2HB ARG 3 -3.493 -10.796 5.154 23 2HB ARG 3 1HB ARG 3 -2.210 -10.059 4.211 24 1HG ARG 3 2HG ARG 3 -2.265 -11.687 2.683 25 2HG ARG 3 1HG ARG 3 -2.370 -12.959 3.913 26 1HD ARG 3 2HD ARG 3 -4.640 -11.210 2.950 27 2HD ARG 3 1HD ARG 3 -4.421 -12.930 2.599 28 HE ARG 3 HE ARG 3 -4.567 -13.263 5.086 29 1HH1 ARG 3 1HH1 ARG 3 -6.452 -10.739 3.452 30 2HH1 ARG 3 2HH1 ARG 3 -7.421 -10.411 4.783 31 1HH2 ARG 3 1HH2 ARG 3 -5.844 -12.793 6.919 32 2HH2 ARG 3 2HH2 ARG 3 -7.066 -11.597 6.853 33 HA PRO 4 HA PRO 4 -1.140 -8.842 9.223 34 1HB PRO 4 2HB PRO 4 0.064 -6.769 7.450 35 2HB PRO 4 1HB PRO 4 0.565 -7.265 9.072 36 1HG PRO 4 2HG PRO 4 2.005 -7.958 6.966 37 2HG PRO 4 1HG PRO 4 1.735 -9.111 8.287 38 1HD PRO 4 2HD PRO 4 0.437 -8.971 5.595 39 2HD PRO 4 1HD PRO 4 0.973 -10.391 6.518 40 H SER 5 H SER 5 -2.924 -7.599 9.702 41 HA SER 5 HA SER 5 -4.916 -7.303 7.905 42 1HB SER 5 2HB SER 5 -4.616 -5.910 10.541 43 2HB SER 5 1HB SER 5 -6.132 -6.148 9.662 44 HG SER 5 HG SER 5 -6.156 -8.174 10.188 45 H LEU 6 H LEU 6 -2.264 -5.241 7.865 46 HA LEU 6 HA LEU 6 -3.733 -2.791 7.411 47 1HB LEU 6 2HB LEU 6 -1.734 -1.645 7.363 48 2HB LEU 6 1HB LEU 6 -1.395 -2.937 8.485 49 HG LEU 6 HG LEU 6 -0.489 -2.852 5.598 50 1HD1 LEU 6 1HD1 LEU 6 0.590 -1.146 6.914 51 2HD1 LEU 6 2HD1 LEU 6 1.730 -2.438 6.528 52 3HD1 LEU 6 3HD1 LEU 6 1.020 -2.335 8.142 53 1HD2 LEU 6 1HD2 LEU 6 -0.728 -5.136 6.448 54 2HD2 LEU 6 2HD2 LEU 6 0.292 -4.724 7.826 55 3HD2 LEU 6 3HD2 LEU 6 0.962 -4.708 6.195 56 H CYS 7 H CYS 7 -2.993 -5.429 5.562 57 HA CYS 7 HA CYS 7 -2.548 -4.103 3.077 58 1HB CYS 7 2HB CYS 7 -3.325 -6.957 3.656 59 2HB CYS 7 1HB CYS 7 -2.606 -6.333 2.170 60 H ASP 8 H ASP 8 -5.225 -5.019 4.966 61 HA ASP 8 HA ASP 8 -7.253 -4.789 2.848 62 1HB ASP 8 2HB ASP 8 -7.315 -6.737 4.414 63 2HB ASP 8 1HB ASP 8 -7.491 -5.629 5.765 64 H LEU 9 H LEU 9 -5.751 -2.337 3.790 65 HA LEU 9 HA LEU 9 -7.412 -1.301 5.870 66 1HB LEU 9 2HB LEU 9 -4.831 -1.672 6.229 67 2HB LEU 9 1HB LEU 9 -4.640 -0.441 5.016 68 HG LEU 9 HG LEU 9 -4.286 0.434 7.255 69 1HD1 LEU 9 1HD1 LEU 9 -5.777 2.339 7.250 70 2HD1 LEU 9 2HD1 LEU 9 -6.799 1.542 6.057 71 3HD1 LEU 9 3HD1 LEU 9 -5.142 1.990 5.645 72 1HD2 LEU 9 1HD2 LEU 9 -7.122 -0.395 7.799 73 2HD2 LEU 9 2HD2 LEU 9 -6.123 0.588 8.868 74 3HD2 LEU 9 3HD2 LEU 9 -5.664 -1.081 8.516 75 HA PRO 10 HA PRO 10 -9.031 0.714 2.272 76 1HB PRO 10 2HB PRO 10 -9.115 3.128 3.740 77 2HB PRO 10 1HB PRO 10 -10.456 2.046 3.383 78 1HG PRO 10 2HG PRO 10 -8.852 2.314 5.848 79 2HG PRO 10 1HG PRO 10 -10.507 1.713 5.645 80 1HD PRO 10 2HD PRO 10 -8.477 0.079 6.189 81 2HD PRO 10 1HD PRO 10 -9.796 -0.414 5.101 82 H ALA 11 H ALA 11 -8.221 1.813 0.903 83 HA ALA 11 HA ALA 11 -5.616 3.243 0.910 84 1HB ALA 11 1HB ALA 11 -7.654 2.577 -1.233 85 2HB ALA 11 2HB ALA 11 -6.131 1.733 -0.980 86 3HB ALA 11 3HB ALA 11 -6.129 3.414 -1.516 87 H ASP 12 H ASP 12 -5.901 5.039 1.846 88 HA ASP 12 HA ASP 12 -8.296 6.463 1.081 89 1HB ASP 12 2HB ASP 12 -8.167 6.087 3.586 90 2HB ASP 12 1HB ASP 12 -6.728 7.112 3.597 91 H SER 13 H SER 13 -7.947 8.754 0.414 92 HA SER 13 HA SER 13 -5.287 8.994 -0.854 93 1HB SER 13 2HB SER 13 -7.887 10.470 -1.297 94 2HB SER 13 1HB SER 13 -6.417 10.590 -2.276 95 HG SER 13 HG SER 13 -6.751 8.165 -2.339 96 H GLY 14 H GLY 14 -7.025 10.313 1.727 97 1HA GLY 14 2HA GLY 14 -5.884 11.435 3.372 98 2HA GLY 14 1HA GLY 14 -4.604 11.786 2.221 99 H SER 15 H SER 15 -5.124 13.794 3.626 100 HA SER 15 HA SER 15 -7.232 15.301 2.289 101 1HB SER 15 2HB SER 15 -6.329 15.522 5.149 102 2HB SER 15 1HB SER 15 -7.649 16.408 4.385 103 HG SER 15 HG SER 15 -8.281 13.982 3.879 104 H GLY 16 H GLY 16 -4.179 15.060 1.766 105 1HA GLY 16 2HA GLY 16 -3.106 17.347 3.084 106 2HA GLY 16 1HA GLY 16 -2.263 16.151 2.129 107 H THR 17 H THR 17 -1.629 18.547 1.965 108 HA THR 17 HA THR 17 -2.703 19.741 -0.560 109 HB THR 17 HB THR 17 -2.480 21.196 1.484 110 HG1 THR 17 1HG THR 17 -1.845 21.693 -0.994 111 1HG2 THR 17 1HG2 THR 17 0.479 20.751 1.030 112 2HG2 THR 17 2HG2 THR 17 -0.444 20.217 2.437 113 3HG2 THR 17 3HG2 THR 17 -0.214 21.937 2.138 114 H LYS 18 H LYS 18 -0.284 17.522 0.141 115 HA LYS 18 HA LYS 18 1.830 18.558 -1.688 116 1HB LYS 18 2HB LYS 18 2.164 18.115 0.840 117 2HB LYS 18 1HB LYS 18 1.694 16.470 0.477 118 1HG LYS 18 2HG LYS 18 4.030 16.473 0.556 119 2HG LYS 18 1HG LYS 18 3.636 16.432 -1.163 120 1HD LYS 18 2HD LYS 18 5.451 18.017 -0.698 121 2HD LYS 18 1HD LYS 18 4.018 18.851 -1.303 122 1HE LYS 18 2HE LYS 18 5.072 20.043 0.602 123 2HE LYS 18 1HE LYS 18 3.418 19.546 0.946 124 1HZ LYS 18 1HZ LYS 18 4.264 17.691 2.239 125 2HZ LYS 18 2HZ LYS 18 4.943 19.087 2.836 126 3HZ LYS 18 3HZ LYS 18 5.837 18.058 1.822 127 H ALA 19 H ALA 19 2.699 17.002 -2.975 128 HA ALA 19 HA ALA 19 0.966 14.676 -3.628 129 1HB ALA 19 1HB ALA 19 1.053 16.391 -5.439 130 2HB ALA 19 2HB ALA 19 1.801 14.865 -5.909 131 3HB ALA 19 3HB ALA 19 2.809 16.240 -5.451 132 H GLU 20 H GLU 20 1.792 12.801 -3.117 133 HA GLU 20 HA GLU 20 4.633 12.535 -3.316 134 1HB GLU 20 2HB GLU 20 4.160 13.213 -1.033 135 2HB GLU 20 1HB GLU 20 3.057 11.863 -0.839 136 1HG GLU 20 2HG GLU 20 4.884 10.302 -1.043 137 2HG GLU 20 1HG GLU 20 6.010 11.632 -1.337 138 H LYS 21 H LYS 21 5.218 10.461 -3.867 139 HA LYS 21 HA LYS 21 3.116 8.636 -4.916 140 1HB LYS 21 2HB LYS 21 4.932 9.566 -6.388 141 2HB LYS 21 1HB LYS 21 6.115 8.887 -5.299 142 1HG LYS 21 2HG LYS 21 4.142 7.226 -6.876 143 2HG LYS 21 1HG LYS 21 5.735 7.668 -7.475 144 1HD LYS 21 2HD LYS 21 6.683 6.530 -5.417 145 2HD LYS 21 1HD LYS 21 5.055 5.919 -5.115 146 1HE LYS 21 2HE LYS 21 6.259 4.223 -6.275 147 2HE LYS 21 1HE LYS 21 5.109 4.914 -7.416 148 1HZ LYS 21 1HZ LYS 21 8.004 5.485 -7.234 149 2HZ LYS 21 2HZ LYS 21 6.965 6.314 -8.283 150 3HZ LYS 21 3HZ LYS 21 7.225 4.664 -8.485 151 H ARG 22 H ARG 22 2.345 7.202 -3.387 152 HA ARG 22 HA ARG 22 4.445 5.809 -2.023 153 1HB ARG 22 2HB ARG 22 1.624 6.519 -1.382 154 2HB ARG 22 1HB ARG 22 2.597 5.396 -0.456 155 1HG ARG 22 2HG ARG 22 3.331 8.264 -0.933 156 2HG ARG 22 1HG ARG 22 2.435 7.686 0.473 157 1HD ARG 22 2HD ARG 22 4.349 6.092 0.859 158 2HD ARG 22 1HD ARG 22 5.241 7.022 -0.349 159 HE ARG 22 HE ARG 22 4.751 8.997 1.138 160 1HH1 ARG 22 1HH1 ARG 22 4.968 5.751 2.449 161 2HH1 ARG 22 2HH1 ARG 22 5.538 6.241 3.978 162 1HH2 ARG 22 1HH2 ARG 22 5.390 9.702 3.123 163 2HH2 ARG 22 2HH2 ARG 22 5.814 8.645 4.403 164 H ILE 23 H ILE 23 3.369 3.458 -1.337 165 HA ILE 23 HA ILE 23 1.599 2.639 -3.531 166 HB ILE 23 HB ILE 23 3.963 2.049 -4.195 167 1HG1 ILE 23 2HG1 ILE 23 2.382 -0.447 -3.574 168 2HG1 ILE 23 1HG1 ILE 23 2.036 0.631 -4.921 169 1HG2 ILE 23 1HG2 ILE 23 5.161 0.287 -3.041 170 2HG2 ILE 23 2HG2 ILE 23 3.892 0.184 -1.848 171 3HG2 ILE 23 3HG2 ILE 23 4.897 1.651 -1.935 172 1HD1 ILE 23 1HD1 ILE 23 4.247 0.181 -5.852 173 2HD1 ILE 23 2HD1 ILE 23 3.321 -1.306 -5.633 174 3HD1 ILE 23 3HD1 ILE 23 4.604 -0.890 -4.497 175 H TYR 24 H TYR 24 0.138 0.922 -2.966 176 HA TYR 24 HA TYR 24 0.415 -0.056 -0.210 177 1HB TYR 24 2HB TYR 24 -1.939 0.276 0.276 178 2HB TYR 24 1HB TYR 24 -1.263 1.816 -0.206 179 HD1 TYR 24 1HD TYR 24 -3.517 -0.920 -1.157 180 HD2 TYR 24 2HD TYR 24 -2.135 2.945 -2.187 181 HE1 TYR 24 1HE TYR 24 -5.406 -0.681 -2.693 182 HE2 TYR 24 2HE TYR 24 -4.037 3.189 -3.748 183 HH TYR 24 HH TYR 24 -5.599 1.907 -4.957 184 H TYR 25 H TYR 25 -1.162 -2.092 0.126 185 HA TYR 25 HA TYR 25 -0.824 -3.701 -2.060 186 1HB TYR 25 2HB TYR 25 -0.504 -4.527 0.092 187 2HB TYR 25 1HB TYR 25 -2.099 -4.008 0.624 188 HD1 TYR 25 1HD TYR 25 -0.439 -6.352 -1.781 189 HD2 TYR 25 2HD TYR 25 -3.863 -5.510 0.586 190 HE1 TYR 25 1HE TYR 25 -1.339 -8.593 -2.271 191 HE2 TYR 25 2HE TYR 25 -4.764 -7.729 0.103 192 HH TYR 25 HH TYR 25 -2.897 -10.177 -1.207 193 H ASN 26 H ASN 26 -2.499 -3.488 -3.767 194 HA ASN 26 HA ASN 26 -5.247 -2.883 -2.989 195 1HB ASN 26 2HB ASN 26 -4.284 -2.234 -5.256 196 2HB ASN 26 1HB ASN 26 -4.270 -3.957 -5.638 197 1HD2 ASN 26 1HD2 ASN 26 -6.249 -1.165 -5.091 198 2HD2 ASN 26 2HD2 ASN 26 -7.735 -1.853 -5.594 199 H SER 27 H SER 27 -6.590 -4.098 -2.405 200 HA SER 27 HA SER 27 -5.747 -6.651 -1.783 201 1HB SER 27 2HB SER 27 -8.456 -5.471 -1.179 202 2HB SER 27 1HB SER 27 -7.943 -7.042 -0.576 203 HG SER 27 HG SER 27 -6.133 -4.994 -0.122 204 H ALA 28 H ALA 28 -8.132 -5.519 -4.045 205 HA ALA 28 HA ALA 28 -9.405 -8.018 -4.599 206 1HB ALA 28 1HB ALA 28 -9.362 -5.438 -6.152 207 2HB ALA 28 2HB ALA 28 -10.552 -5.910 -4.941 208 3HB ALA 28 3HB ALA 28 -10.442 -6.797 -6.458 209 H ARG 29 H ARG 29 -6.973 -6.016 -6.010 210 HA ARG 29 HA ARG 29 -6.509 -7.868 -8.193 211 1HB ARG 29 2HB ARG 29 -5.159 -5.226 -7.608 212 2HB ARG 29 1HB ARG 29 -4.536 -6.308 -8.842 213 1HG ARG 29 2HG ARG 29 -5.903 -4.681 -9.933 214 2HG ARG 29 1HG ARG 29 -6.770 -6.210 -9.965 215 1HD ARG 29 2HD ARG 29 -8.019 -5.404 -7.922 216 2HD ARG 29 1HD ARG 29 -7.283 -3.829 -8.189 217 HE ARG 29 HE ARG 29 -8.670 -4.914 -10.463 218 1HH1 ARG 29 1HH1 ARG 29 -8.921 -2.770 -7.645 219 2HH1 ARG 29 2HH1 ARG 29 -10.411 -2.094 -8.122 220 1HH2 ARG 29 1HH2 ARG 29 -10.685 -3.998 -11.083 221 2HH2 ARG 29 2HH2 ARG 29 -11.457 -2.806 -10.153 222 H LYS 30 H LYS 30 -5.595 -7.719 -5.129 223 HA LYS 30 HA LYS 30 -3.939 -8.516 -3.734 224 1HB LYS 30 2HB LYS 30 -5.110 -10.560 -4.563 225 2HB LYS 30 1HB LYS 30 -3.938 -10.697 -5.858 226 1HG LYS 30 2HG LYS 30 -2.191 -11.229 -4.284 227 2HG LYS 30 1HG LYS 30 -3.267 -10.904 -2.922 228 1HD LYS 30 2HD LYS 30 -4.717 -12.746 -3.662 229 2HD LYS 30 1HD LYS 30 -3.594 -13.080 -4.981 230 1HE LYS 30 2HE LYS 30 -1.836 -13.594 -3.383 231 2HE LYS 30 1HE LYS 30 -2.909 -13.190 -2.045 232 1HZ LYS 30 1HZ LYS 30 -2.760 -15.602 -2.437 233 2HZ LYS 30 2HZ LYS 30 -3.422 -15.382 -3.993 234 3HZ LYS 30 3HZ LYS 30 -4.326 -15.006 -2.626 235 H GLN 31 H GLN 31 -3.118 -6.879 -5.320 236 HA GLN 31 HA GLN 31 -0.060 -7.058 -5.644 237 1HB GLN 31 2HB GLN 31 0.035 -6.358 -7.875 238 2HB GLN 31 1HB GLN 31 -1.089 -7.704 -7.837 239 1HG GLN 31 2HG GLN 31 -2.949 -6.048 -7.857 240 2HG GLN 31 1HG GLN 31 -1.740 -4.784 -8.078 241 1HE2 GLN 31 1HE2 GLN 31 -0.519 -4.772 -10.024 242 2HE2 GLN 31 2HE2 GLN 31 -1.146 -5.556 -11.437 243 H CYS 32 H CYS 32 1.310 -5.243 -5.445 244 HA CYS 32 HA CYS 32 0.127 -3.315 -3.891 245 1HB CYS 32 2HB CYS 32 2.780 -3.678 -5.227 246 2HB CYS 32 1HB CYS 32 2.387 -2.414 -4.086 247 H LEU 33 H LEU 33 -0.383 -1.225 -4.665 248 HA LEU 33 HA LEU 33 0.656 -0.294 -7.204 249 1HB LEU 33 2HB LEU 33 -1.539 0.323 -8.100 250 2HB LEU 33 1HB LEU 33 -1.321 -1.403 -8.040 251 HG LEU 33 HG LEU 33 -2.809 -1.385 -5.981 252 1HD1 LEU 33 1HD1 LEU 33 -4.276 0.523 -5.687 253 2HD1 LEU 33 2HD1 LEU 33 -3.411 1.411 -6.936 254 3HD1 LEU 33 3HD1 LEU 33 -2.607 0.990 -5.427 255 1HD2 LEU 33 1HD2 LEU 33 -3.572 -2.112 -8.154 256 2HD2 LEU 33 2HD2 LEU 33 -3.913 -0.444 -8.613 257 3HD2 LEU 33 3HD2 LEU 33 -4.840 -1.211 -7.323 258 H ARG 34 H ARG 34 0.696 1.616 -7.585 259 HA ARG 34 HA ARG 34 1.278 3.210 -5.289 260 1HB ARG 34 2HB ARG 34 2.671 3.081 -7.313 261 2HB ARG 34 1HB ARG 34 1.372 3.758 -8.257 262 1HG ARG 34 2HG ARG 34 2.623 5.288 -5.985 263 2HG ARG 34 1HG ARG 34 3.343 5.253 -7.587 264 1HD ARG 34 2HD ARG 34 0.583 6.231 -6.889 265 2HD ARG 34 1HD ARG 34 1.968 7.237 -7.266 266 HE ARG 34 HE ARG 34 1.962 6.016 -9.486 267 1HH1 ARG 34 1HH1 ARG 34 -0.953 6.647 -7.648 268 2HH1 ARG 34 2HH1 ARG 34 -2.026 6.671 -8.956 269 1HH2 ARG 34 1HH2 ARG 34 0.555 6.123 -11.365 270 2HH2 ARG 34 2HH2 ARG 34 -1.136 6.320 -11.171 271 H PHE 35 H PHE 35 0.352 4.965 -4.702 272 HA PHE 35 HA PHE 35 -2.025 5.379 -5.948 273 1HB PHE 35 2HB PHE 35 -3.364 5.994 -3.817 274 2HB PHE 35 1HB PHE 35 -2.749 4.373 -4.022 275 HD1 PHE 35 1HD PHE 35 -0.379 3.965 -2.788 276 HD2 PHE 35 2HD PHE 35 -3.196 6.986 -1.782 277 HE1 PHE 35 1HE PHE 35 0.499 4.022 -0.496 278 HE2 PHE 35 2HE PHE 35 -2.310 7.058 0.501 279 HZ PHE 35 HZ PHE 35 -0.461 5.570 1.152 280 H ASP 36 H ASP 36 -2.847 8.143 -5.119 281 HA ASP 36 HA ASP 36 -0.352 9.439 -4.888 282 1HB ASP 36 2HB ASP 36 -2.873 10.148 -6.230 283 2HB ASP 36 1HB ASP 36 -2.103 11.484 -5.379 284 H TYR 37 H TYR 37 -0.027 9.224 -2.832 285 HA TYR 37 HA TYR 37 -1.886 9.965 -0.756 286 1HB TYR 37 2HB TYR 37 -0.161 8.185 -0.614 287 2HB TYR 37 1HB TYR 37 1.082 9.374 -0.855 288 HD1 TYR 37 1HD TYR 37 -1.813 8.822 1.495 289 HD2 TYR 37 2HD TYR 37 2.247 10.008 1.051 290 HE1 TYR 37 1HE TYR 37 -1.616 9.045 3.940 291 HE2 TYR 37 2HE TYR 37 2.449 10.245 3.483 292 HH TYR 37 HH TYR 37 1.154 10.511 5.432 293 H THR 38 H THR 38 -2.077 12.115 0.117 294 HA THR 38 HA THR 38 -0.625 13.954 -1.439 295 HB THR 38 HB THR 38 -2.475 15.467 -0.493 296 HG1 THR 38 1HG THR 38 -3.955 13.163 -0.012 297 1HG2 THR 38 1HG2 THR 38 -2.534 14.506 -2.760 298 2HG2 THR 38 2HG2 THR 38 -4.144 14.514 -2.039 299 3HG2 THR 38 3HG2 THR 38 -3.211 13.016 -2.109 300 H GLY 39 H GLY 39 0.701 12.734 0.692 301 1HA GLY 39 2HA GLY 39 2.086 13.148 2.429 302 2HA GLY 39 1HA GLY 39 1.818 14.828 2.059 303 H GLN 40 H GLN 40 -1.274 14.347 3.068 304 HA GLN 40 HA GLN 40 -0.396 14.146 5.756 305 1HB GLN 40 2HB GLN 40 -0.398 16.515 5.254 306 2HB GLN 40 1HB GLN 40 -2.052 16.419 4.662 307 1HG GLN 40 2HG GLN 40 -2.820 15.826 6.892 308 2HG GLN 40 1HG GLN 40 -1.165 15.903 7.488 309 1HE2 GLN 40 1HE2 GLN 40 -3.559 17.355 8.195 310 2HE2 GLN 40 2HE2 GLN 40 -3.197 19.039 8.061 311 H GLY 41 H GLY 41 -2.094 12.922 6.985 312 1HA GLY 41 2HA GLY 41 -4.324 12.653 7.522 313 2HA GLY 41 1HA GLY 41 -4.755 13.521 6.068 314 H GLY 42 H GLY 42 -2.883 10.478 6.419 315 1HA GLY 42 2HA GLY 42 -4.727 9.485 4.367 316 2HA GLY 42 1HA GLY 42 -3.048 9.012 4.533 317 H ASN 43 H ASN 43 -3.453 6.899 4.518 318 HA ASN 43 HA ASN 43 -5.015 5.547 6.605 319 1HB ASN 43 2HB ASN 43 -5.270 3.877 4.873 320 2HB ASN 43 1HB ASN 43 -5.906 5.379 4.226 321 1HD2 ASN 43 1HD2 ASN 43 -4.890 3.022 2.836 322 2HD2 ASN 43 2HD2 ASN 43 -3.536 3.557 1.876 323 H GLU 44 H GLU 44 -4.021 3.655 7.248 324 HA GLU 44 HA GLU 44 -1.262 3.996 7.760 325 1HB GLU 44 2HB GLU 44 -3.191 1.781 8.379 326 2HB GLU 44 1HB GLU 44 -1.586 1.995 9.074 327 1HG GLU 44 2HG GLU 44 -3.918 3.866 9.385 328 2HG GLU 44 1HG GLU 44 -3.274 2.771 10.608 329 H ASN 45 H ASN 45 -3.112 2.272 5.389 330 HA ASN 45 HA ASN 45 -0.975 0.435 4.622 331 1HB ASN 45 2HB ASN 45 -3.421 -0.172 4.369 332 2HB ASN 45 1HB ASN 45 -3.626 1.206 3.312 333 1HD2 ASN 45 1HD2 ASN 45 -4.518 -0.357 1.887 334 2HD2 ASN 45 2HD2 ASN 45 -3.504 -1.324 0.879 335 H ASN 46 H ASN 46 0.593 1.837 4.506 336 HA ASN 46 HA ASN 46 0.712 3.463 2.110 337 1HB ASN 46 2HB ASN 46 -0.024 4.963 3.881 338 2HB ASN 46 1HB ASN 46 1.268 4.396 4.932 339 1HD2 ASN 46 1HD2 ASN 46 2.044 6.471 5.182 340 2HD2 ASN 46 2HD2 ASN 46 2.890 7.305 3.924 341 H PHE 47 H PHE 47 2.505 2.699 1.086 342 HA PHE 47 HA PHE 47 4.788 2.106 2.781 343 1HB PHE 47 2HB PHE 47 4.023 0.679 0.216 344 2HB PHE 47 1HB PHE 47 5.457 0.333 1.184 345 HD1 PHE 47 1HD PHE 47 2.049 -0.467 0.636 346 HD2 PHE 47 2HD PHE 47 5.034 -0.295 3.659 347 HE1 PHE 47 1HE PHE 47 0.707 -1.968 2.039 348 HE2 PHE 47 2HE PHE 47 3.699 -1.801 5.062 349 HZ PHE 47 HZ PHE 47 1.529 -2.637 4.253 350 H ARG 48 H ARG 48 6.807 2.774 1.860 351 HA ARG 48 HA ARG 48 6.635 4.881 -0.236 352 1HB ARG 48 2HB ARG 48 7.659 5.408 1.998 353 2HB ARG 48 1HB ARG 48 8.883 4.195 1.662 354 1HG ARG 48 2HG ARG 48 9.981 6.114 1.018 355 2HG ARG 48 1HG ARG 48 9.272 5.610 -0.513 356 1HD ARG 48 2HD ARG 48 8.867 7.975 -0.308 357 2HD ARG 48 1HD ARG 48 7.336 7.195 0.011 358 HE ARG 48 HE ARG 48 8.116 7.339 2.454 359 1HH1 ARG 48 1HH1 ARG 48 8.643 9.853 -0.014 360 2HH1 ARG 48 2HH1 ARG 48 8.766 11.103 1.150 361 1HH2 ARG 48 1HH2 ARG 48 8.311 9.030 3.966 362 2HH2 ARG 48 2HH2 ARG 48 8.648 10.626 3.478 363 H ARG 49 H ARG 49 7.504 1.508 0.124 364 HA ARG 49 HA ARG 49 9.117 1.787 -2.213 365 1HB ARG 49 2HB ARG 49 10.549 1.872 -0.210 366 2HB ARG 49 1HB ARG 49 9.872 0.358 0.342 367 1HG ARG 49 2HG ARG 49 10.834 -0.737 -1.657 368 2HG ARG 49 1HG ARG 49 11.609 0.797 -2.067 369 1HD ARG 49 2HD ARG 49 12.015 -0.795 0.461 370 2HD ARG 49 1HD ARG 49 13.153 -0.653 -0.875 371 HE ARG 49 HE ARG 49 13.357 1.727 -0.297 372 1HH1 ARG 49 1HH1 ARG 49 11.727 -0.230 2.171 373 2HH1 ARG 49 2HH1 ARG 49 12.497 0.489 3.494 374 1HH2 ARG 49 1HH2 ARG 49 14.400 2.815 1.585 375 2HH2 ARG 49 2HH2 ARG 49 14.015 2.229 3.150 376 H THR 50 H THR 50 9.111 -0.229 -3.388 377 HA THR 50 HA THR 50 6.650 -1.624 -3.271 378 HB THR 50 HB THR 50 9.028 -2.197 -5.058 379 HG1 THR 50 1HG THR 50 8.452 0.000 -5.167 380 1HG2 THR 50 1HG2 THR 50 6.047 -2.605 -5.449 381 2HG2 THR 50 2HG2 THR 50 7.228 -3.883 -5.143 382 3HG2 THR 50 3HG2 THR 50 7.303 -2.950 -6.640 383 H TYR 51 H TYR 51 9.971 -2.533 -2.461 384 HA TYR 51 HA TYR 51 9.519 -5.271 -2.078 385 1HB TYR 51 2HB TYR 51 11.780 -4.403 -2.138 386 2HB TYR 51 1HB TYR 51 11.484 -3.401 -0.725 387 HD1 TYR 51 1HD TYR 51 11.499 -6.967 -1.783 388 HD2 TYR 51 2HD TYR 51 12.224 -4.167 1.324 389 HE1 TYR 51 1HE TYR 51 12.397 -8.762 -0.385 390 HE2 TYR 51 2HE TYR 51 13.126 -5.963 2.736 391 HH TYR 51 HH TYR 51 13.867 -9.061 1.487 392 H ASP 52 H ASP 52 9.287 -2.498 0.020 393 HA ASP 52 HA ASP 52 8.616 -3.849 2.411 394 1HB ASP 52 2HB ASP 52 7.880 -1.083 1.491 395 2HB ASP 52 1HB ASP 52 7.473 -1.700 3.088 396 H CYS 53 H CYS 53 6.409 -2.584 -0.048 397 HA CYS 53 HA CYS 53 4.090 -3.475 1.309 398 1HB CYS 53 2HB CYS 53 2.862 -3.112 -0.648 399 2HB CYS 53 1HB CYS 53 4.128 -1.904 -0.643 400 H GLN 54 H GLN 54 5.828 -4.780 -1.111 401 HA GLN 54 HA GLN 54 4.741 -7.316 -1.591 402 1HB GLN 54 2HB GLN 54 6.342 -6.507 -3.182 403 2HB GLN 54 1HB GLN 54 7.664 -6.722 -2.038 404 1HG GLN 54 2HG GLN 54 7.428 -9.100 -2.139 405 2HG GLN 54 1HG GLN 54 5.969 -8.955 -3.113 406 1HE2 GLN 54 1HE2 GLN 54 8.806 -6.939 -3.672 407 2HE2 GLN 54 2HE2 GLN 54 9.226 -7.698 -5.161 408 H ARG 55 H ARG 55 7.354 -6.704 0.504 409 HA ARG 55 HA ARG 55 7.653 -9.366 1.637 410 1HB ARG 55 2HB ARG 55 9.430 -7.630 1.797 411 2HB ARG 55 1HB ARG 55 8.348 -6.630 2.747 412 1HG ARG 55 2HG ARG 55 8.367 -8.343 4.511 413 2HG ARG 55 1HG ARG 55 9.525 -9.272 3.549 414 1HD ARG 55 2HD ARG 55 11.082 -7.406 3.591 415 2HD ARG 55 1HD ARG 55 9.938 -6.449 4.512 416 HE ARG 55 HE ARG 55 10.666 -8.964 5.720 417 1HH1 ARG 55 1HH1 ARG 55 11.252 -5.477 5.605 418 2HH1 ARG 55 2HH1 ARG 55 12.170 -5.434 7.040 419 1HH2 ARG 55 1HH2 ARG 55 11.986 -8.916 7.700 420 2HH2 ARG 55 2HH2 ARG 55 12.605 -7.415 8.218 421 H THR 56 H THR 56 5.740 -6.414 2.794 422 HA THR 56 HA THR 56 4.944 -8.082 4.817 423 HB THR 56 HB THR 56 5.133 -5.710 5.243 424 HG1 THR 56 1HG THR 56 2.367 -6.215 5.539 425 1HG2 THR 56 1HG2 THR 56 2.730 -5.380 3.450 426 2HG2 THR 56 2HG2 THR 56 4.369 -4.830 3.102 427 3HG2 THR 56 3HG2 THR 56 3.462 -4.115 4.432 428 H CYS 57 H CYS 57 3.151 -7.144 1.821 429 HA CYS 57 HA CYS 57 0.746 -8.503 2.774 430 1HB CYS 57 2HB CYS 57 1.066 -6.518 0.520 431 2HB CYS 57 1HB CYS 57 -0.414 -7.281 1.051 432 H LEU 58 H LEU 58 2.999 -9.855 1.188 433 HA LEU 58 HA LEU 58 1.543 -10.376 -1.218 434 1HB LEU 58 2HB LEU 58 2.949 -8.399 -1.957 435 2HB LEU 58 1HB LEU 58 4.374 -9.322 -1.587 436 HG LEU 58 HG LEU 58 3.917 -9.088 -3.994 437 1HD1 LEU 58 1HD1 LEU 58 3.827 -11.934 -3.049 438 2HD1 LEU 58 2HD1 LEU 58 5.266 -10.948 -3.304 439 3HD1 LEU 58 3HD1 LEU 58 4.256 -11.400 -4.675 440 1HD2 LEU 58 1HD2 LEU 58 2.098 -10.365 -5.033 441 2HD2 LEU 58 2HD2 LEU 58 1.512 -9.080 -3.977 442 3HD2 LEU 58 3HD2 LEU 58 1.483 -10.759 -3.427 443 H TYR 59 H TYR 59 4.346 -10.896 0.705 444 HA TYR 59 HA TYR 59 4.275 -13.716 0.000 445 1HB TYR 59 2HB TYR 59 6.202 -12.162 1.741 446 2HB TYR 59 1HB TYR 59 6.293 -13.894 1.449 447 HD1 TYR 59 1HD TYR 59 7.717 -10.906 0.576 448 HD2 TYR 59 2HD TYR 59 6.125 -14.407 -1.244 449 HE1 TYR 59 1HE TYR 59 9.091 -10.490 -1.424 450 HE2 TYR 59 2HE TYR 59 7.492 -13.998 -3.247 451 HH TYR 59 HH TYR 59 10.035 -11.813 -3.246 452 H THR 60 H THR 60 2.409 -14.544 0.971 453 HA THR 60 HA THR 60 2.370 -14.151 3.783 454 HB THR 60 HB THR 60 0.493 -12.905 2.935 455 HG1 THR 60 1HG THR 60 0.163 -14.781 4.612 456 1HG2 THR 60 1HG2 THR 60 -1.260 -13.857 1.473 457 2HG2 THR 60 2HG2 THR 60 -0.313 -15.337 1.325 458 3HG2 THR 60 3HG2 THR 60 0.314 -13.823 0.675 Start of MODEL 7 1 1H LYS 1 1HT LYS 1 -3.450 -16.275 10.471 2 2H LYS 1 2HT LYS 1 -3.871 -17.189 9.117 3 3H LYS 1 3HT LYS 1 -5.071 -16.436 10.011 4 HA LYS 1 HA LYS 1 -4.296 -14.278 9.397 5 1HB LYS 1 2HB LYS 1 -2.097 -15.816 8.117 6 2HB LYS 1 1HB LYS 1 -2.623 -14.284 7.422 7 1HG LYS 1 2HG LYS 1 -1.627 -14.734 10.233 8 2HG LYS 1 1HG LYS 1 -0.784 -13.885 8.928 9 1HD LYS 1 2HD LYS 1 -2.587 -12.222 8.844 10 2HD LYS 1 1HD LYS 1 -3.426 -13.062 10.147 11 1HE LYS 1 2HE LYS 1 -1.452 -12.627 11.600 12 2HE LYS 1 1HE LYS 1 -0.758 -11.669 10.291 13 1HZ LYS 1 1HZ LYS 1 -2.747 -10.227 10.405 14 2HZ LYS 1 2HZ LYS 1 -1.887 -10.222 11.845 15 3HZ LYS 1 3HZ LYS 1 -3.315 -11.113 11.709 16 H ASP 2 H ASP 2 -5.891 -13.661 8.514 17 HA ASP 2 HA ASP 2 -6.658 -14.562 5.818 18 1HB ASP 2 2HB ASP 2 -8.291 -15.381 7.455 19 2HB ASP 2 1HB ASP 2 -8.454 -13.760 8.119 20 H ARG 3 H ARG 3 -5.840 -12.829 4.734 21 HA ARG 3 HA ARG 3 -5.402 -10.802 3.987 22 1HB ARG 3 2HB ARG 3 -7.571 -9.870 5.886 23 2HB ARG 3 1HB ARG 3 -6.617 -8.731 4.954 24 1HG ARG 3 2HG ARG 3 -8.530 -8.975 3.697 25 2HG ARG 3 1HG ARG 3 -7.402 -10.079 2.917 26 1HD ARG 3 2HD ARG 3 -9.552 -11.130 3.092 27 2HD ARG 3 1HD ARG 3 -8.432 -11.936 4.190 28 HE ARG 3 HE ARG 3 -9.717 -11.332 5.915 29 1HH1 ARG 3 1HH1 ARG 3 -10.724 -9.338 3.124 30 2HH1 ARG 3 2HH1 ARG 3 -11.909 -8.471 3.966 31 1HH2 ARG 3 1HH2 ARG 3 -11.379 -10.131 7.084 32 2HH2 ARG 3 2HH2 ARG 3 -12.314 -8.964 6.265 33 HA PRO 4 HA PRO 4 -1.891 -9.952 6.262 34 1HB PRO 4 2HB PRO 4 -2.056 -7.282 4.896 35 2HB PRO 4 1HB PRO 4 -0.668 -8.375 5.044 36 1HG PRO 4 2HG PRO 4 -2.031 -8.256 2.794 37 2HG PRO 4 1HG PRO 4 -1.521 -9.837 3.437 38 1HD PRO 4 2HD PRO 4 -4.223 -8.554 3.489 39 2HD PRO 4 1HD PRO 4 -3.789 -10.254 3.236 40 H SER 5 H SER 5 -1.249 -9.069 8.078 41 HA SER 5 HA SER 5 -2.642 -7.844 9.843 42 1HB SER 5 2HB SER 5 0.260 -7.189 9.430 43 2HB SER 5 1HB SER 5 -0.609 -7.100 10.966 44 HG SER 5 HG SER 5 0.378 -9.033 10.904 45 H LEU 6 H LEU 6 -0.472 -6.201 7.587 46 HA LEU 6 HA LEU 6 -1.874 -3.764 8.254 47 1HB LEU 6 2HB LEU 6 0.141 -2.459 7.463 48 2HB LEU 6 1HB LEU 6 0.243 -3.318 8.976 49 HG LEU 6 HG LEU 6 1.537 -5.105 7.737 50 1HD1 LEU 6 1HD1 LEU 6 0.869 -4.554 5.487 51 2HD1 LEU 6 2HD1 LEU 6 2.622 -4.417 5.667 52 3HD1 LEU 6 3HD1 LEU 6 1.619 -2.965 5.637 53 1HD2 LEU 6 1HD2 LEU 6 2.581 -3.484 9.206 54 2HD2 LEU 6 2HD2 LEU 6 2.680 -2.325 7.880 55 3HD2 LEU 6 3HD2 LEU 6 3.612 -3.823 7.818 56 H CYS 7 H CYS 7 -1.819 -5.863 5.913 57 HA CYS 7 HA CYS 7 -2.793 -3.752 4.204 58 1HB CYS 7 2HB CYS 7 -1.299 -6.147 3.127 59 2HB CYS 7 1HB CYS 7 -2.326 -5.161 2.088 60 H ASP 8 H ASP 8 -4.196 -5.060 6.021 61 HA ASP 8 HA ASP 8 -6.637 -5.539 4.428 62 1HB ASP 8 2HB ASP 8 -6.144 -6.996 6.457 63 2HB ASP 8 1HB ASP 8 -6.174 -5.550 7.451 64 H LEU 9 H LEU 9 -5.186 -3.136 4.266 65 HA LEU 9 HA LEU 9 -5.421 -1.267 6.326 66 1HB LEU 9 2HB LEU 9 -4.050 0.023 4.922 67 2HB LEU 9 1HB LEU 9 -3.487 -1.625 4.758 68 HG LEU 9 HG LEU 9 -5.367 -0.402 2.717 69 1HD1 LEU 9 1HD1 LEU 9 -3.453 1.043 2.824 70 2HD1 LEU 9 2HD1 LEU 9 -3.446 0.106 1.331 71 3HD1 LEU 9 3HD1 LEU 9 -2.376 -0.340 2.661 72 1HD2 LEU 9 1HD2 LEU 9 -4.421 -2.066 1.208 73 2HD2 LEU 9 2HD2 LEU 9 -5.106 -2.839 2.637 74 3HD2 LEU 9 3HD2 LEU 9 -3.361 -2.640 2.491 75 HA PRO 10 HA PRO 10 -8.661 0.831 4.215 76 1HB PRO 10 2HB PRO 10 -7.639 3.354 5.310 77 2HB PRO 10 1HB PRO 10 -9.178 2.552 5.634 78 1HG PRO 10 2HG PRO 10 -7.178 2.714 7.466 79 2HG PRO 10 1HG PRO 10 -8.342 1.376 7.412 80 1HD PRO 10 2HD PRO 10 -5.536 1.491 6.397 81 2HD PRO 10 1HD PRO 10 -6.392 0.163 7.214 82 H ALA 11 H ALA 11 -8.167 0.808 2.132 83 HA ALA 11 HA ALA 11 -5.722 2.155 0.906 84 1HB ALA 11 1HB ALA 11 -8.317 0.989 -0.280 85 2HB ALA 11 2HB ALA 11 -6.743 0.192 -0.366 86 3HB ALA 11 3HB ALA 11 -7.015 1.698 -1.237 87 H ASP 12 H ASP 12 -5.700 3.908 1.721 88 HA ASP 12 HA ASP 12 -7.870 5.789 1.138 89 1HB ASP 12 2HB ASP 12 -8.056 5.296 3.537 90 2HB ASP 12 1HB ASP 12 -6.357 5.699 3.753 91 H SER 13 H SER 13 -7.582 7.706 0.410 92 HA SER 13 HA SER 13 -4.895 8.093 -0.769 93 1HB SER 13 2HB SER 13 -6.082 9.601 -2.261 94 2HB SER 13 1HB SER 13 -6.805 7.991 -2.295 95 HG SER 13 HG SER 13 -7.762 10.383 -1.404 96 H GLY 14 H GLY 14 -6.798 9.471 1.708 97 1HA GLY 14 2HA GLY 14 -5.796 10.853 3.301 98 2HA GLY 14 1HA GLY 14 -4.539 11.234 2.141 99 H SER 15 H SER 15 -5.401 13.269 3.529 100 HA SER 15 HA SER 15 -7.590 14.619 2.081 101 1HB SER 15 2HB SER 15 -6.825 14.841 4.994 102 2HB SER 15 1HB SER 15 -8.144 15.679 4.185 103 HG SER 15 HG SER 15 -8.646 13.274 3.593 104 H GLY 16 H GLY 16 -4.545 14.635 1.710 105 1HA GLY 16 2HA GLY 16 -3.637 16.989 3.079 106 2HA GLY 16 1HA GLY 16 -2.688 15.877 2.123 107 H THR 17 H THR 17 -2.107 18.175 1.897 108 HA THR 17 HA THR 17 -3.303 19.550 -0.527 109 HB THR 17 HB THR 17 -2.946 20.877 1.653 110 HG1 THR 17 1HG THR 17 -1.872 22.604 0.477 111 1HG2 THR 17 1HG2 THR 17 -0.657 21.656 2.093 112 2HG2 THR 17 2HG2 THR 17 -0.048 20.578 0.837 113 3HG2 THR 17 3HG2 THR 17 -0.780 19.906 2.296 114 H LYS 18 H LYS 18 -0.792 17.347 0.115 115 HA LYS 18 HA LYS 18 1.211 18.402 -1.775 116 1HB LYS 18 2HB LYS 18 1.809 17.923 0.612 117 2HB LYS 18 1HB LYS 18 1.054 16.356 0.466 118 1HG LYS 18 2HG LYS 18 2.764 15.818 -1.308 119 2HG LYS 18 1HG LYS 18 3.569 17.327 -0.873 120 1HD LYS 18 2HD LYS 18 3.883 16.559 1.394 121 2HD LYS 18 1HD LYS 18 2.947 15.097 1.063 122 1HE LYS 18 2HE LYS 18 4.644 14.449 -0.614 123 2HE LYS 18 1HE LYS 18 5.589 15.868 -0.168 124 1HZ LYS 18 1HZ LYS 18 5.943 14.986 2.011 125 2HZ LYS 18 2HZ LYS 18 6.299 13.747 0.922 126 3HZ LYS 18 3HZ LYS 18 4.856 13.725 1.776 127 H ALA 19 H ALA 19 1.956 16.879 -3.172 128 HA ALA 19 HA ALA 19 0.267 14.483 -3.669 129 1HB ALA 19 1HB ALA 19 0.153 16.119 -5.525 130 2HB ALA 19 2HB ALA 19 0.967 14.632 -6.001 131 3HB ALA 19 3HB ALA 19 1.910 16.079 -5.641 132 H GLU 20 H GLU 20 1.221 12.659 -3.289 133 HA GLU 20 HA GLU 20 4.112 12.620 -3.313 134 1HB GLU 20 2HB GLU 20 3.431 13.186 -1.066 135 2HB GLU 20 1HB GLU 20 2.345 11.805 -1.017 136 1HG GLU 20 2HG GLU 20 4.274 11.305 0.247 137 2HG GLU 20 1HG GLU 20 4.305 10.334 -1.221 138 H LYS 21 H LYS 21 4.860 10.665 -4.094 139 HA LYS 21 HA LYS 21 2.896 8.733 -5.118 140 1HB LYS 21 2HB LYS 21 4.540 9.905 -6.663 141 2HB LYS 21 1HB LYS 21 5.835 9.284 -5.677 142 1HG LYS 21 2HG LYS 21 3.923 7.479 -7.163 143 2HG LYS 21 1HG LYS 21 5.360 8.153 -7.918 144 1HD LYS 21 2HD LYS 21 6.712 7.054 -6.093 145 2HD LYS 21 1HD LYS 21 5.226 6.265 -5.561 146 1HE LYS 21 2HE LYS 21 6.504 4.762 -6.991 147 2HE LYS 21 1HE LYS 21 5.001 5.228 -7.788 148 1HZ LYS 21 1HZ LYS 21 7.669 6.427 -8.323 149 2HZ LYS 21 2HZ LYS 21 6.245 6.836 -9.123 150 3HZ LYS 21 3HZ LYS 21 6.902 5.311 -9.325 151 H ARG 22 H ARG 22 2.327 7.312 -3.569 152 HA ARG 22 HA ARG 22 4.637 6.182 -2.429 153 1HB ARG 22 2HB ARG 22 1.881 6.604 -1.342 154 2HB ARG 22 1HB ARG 22 3.086 5.611 -0.534 155 1HG ARG 22 2HG ARG 22 3.488 8.506 -1.266 156 2HG ARG 22 1HG ARG 22 2.928 7.942 0.309 157 1HD ARG 22 2HD ARG 22 4.984 6.782 0.698 158 2HD ARG 22 1HD ARG 22 5.526 7.079 -0.957 159 HE ARG 22 HE ARG 22 5.661 9.414 -0.403 160 1HH1 ARG 22 1HH1 ARG 22 5.380 7.307 2.453 161 2HH1 ARG 22 2HH1 ARG 22 6.195 8.394 3.481 162 1HH2 ARG 22 1HH2 ARG 22 6.732 10.909 1.026 163 2HH2 ARG 22 2HH2 ARG 22 7.021 10.482 2.629 164 H ILE 23 H ILE 23 3.575 3.652 -1.508 165 HA ILE 23 HA ILE 23 1.743 2.806 -3.597 166 HB ILE 23 HB ILE 23 4.051 2.217 -4.399 167 1HG1 ILE 23 2HG1 ILE 23 2.529 -0.257 -3.586 168 2HG1 ILE 23 1HG1 ILE 23 2.126 0.756 -4.972 169 1HG2 ILE 23 1HG2 ILE 23 4.191 0.518 -1.933 170 2HG2 ILE 23 2HG2 ILE 23 5.210 1.928 -2.285 171 3HG2 ILE 23 3HG2 ILE 23 5.325 0.457 -3.268 172 1HD1 ILE 23 1HD1 ILE 23 3.368 -1.225 -5.650 173 2HD1 ILE 23 2HD1 ILE 23 4.697 -0.765 -4.584 174 3HD1 ILE 23 3HD1 ILE 23 4.290 0.246 -5.975 175 H TYR 24 H TYR 24 0.376 1.064 -2.927 176 HA TYR 24 HA TYR 24 0.910 -0.096 -0.382 177 1HB TYR 24 2HB TYR 24 -1.339 0.313 0.563 178 2HB TYR 24 1HB TYR 24 -0.448 1.792 0.351 179 HD1 TYR 24 1HD TYR 24 -2.540 2.978 0.733 180 HD2 TYR 24 2HD TYR 24 -2.149 0.382 -2.612 181 HE1 TYR 24 1HE TYR 24 -4.541 3.974 -0.261 182 HE2 TYR 24 2HE TYR 24 -4.155 1.386 -3.621 183 HH TYR 24 HH TYR 24 -5.540 4.268 -2.547 184 H TYR 25 H TYR 25 -1.012 -1.885 0.044 185 HA TYR 25 HA TYR 25 -0.671 -3.423 -2.175 186 1HB TYR 25 2HB TYR 25 -0.365 -4.113 0.054 187 2HB TYR 25 1HB TYR 25 -2.048 -3.814 0.431 188 HD1 TYR 25 1HD TYR 25 0.109 -5.844 -1.815 189 HD2 TYR 25 2HD TYR 25 -3.526 -5.600 0.372 190 HE1 TYR 25 1HE TYR 25 -0.312 -8.220 -2.258 191 HE2 TYR 25 2HE TYR 25 -3.962 -7.971 -0.078 192 HH TYR 25 HH TYR 25 -1.557 -10.038 -1.273 193 H ASN 26 H ASN 26 -2.368 -4.035 -3.620 194 HA ASN 26 HA ASN 26 -5.126 -3.188 -3.062 195 1HB ASN 26 2HB ASN 26 -4.168 -2.465 -5.257 196 2HB ASN 26 1HB ASN 26 -3.858 -4.155 -5.643 197 1HD2 ASN 26 1HD2 ASN 26 -6.293 -1.680 -5.313 198 2HD2 ASN 26 2HD2 ASN 26 -7.561 -2.581 -6.041 199 H SER 27 H SER 27 -6.425 -4.510 -2.590 200 HA SER 27 HA SER 27 -5.407 -6.984 -1.863 201 1HB SER 27 2HB SER 27 -8.266 -6.112 -1.429 202 2HB SER 27 1HB SER 27 -7.524 -7.522 -0.670 203 HG SER 27 HG SER 27 -6.485 -6.309 0.643 204 H ALA 28 H ALA 28 -7.771 -6.053 -4.263 205 HA ALA 28 HA ALA 28 -8.858 -8.637 -4.754 206 1HB ALA 28 1HB ALA 28 -9.948 -7.544 -6.658 207 2HB ALA 28 2HB ALA 28 -8.963 -6.108 -6.383 208 3HB ALA 28 3HB ALA 28 -10.131 -6.622 -5.164 209 H ARG 29 H ARG 29 -6.562 -6.556 -6.218 210 HA ARG 29 HA ARG 29 -5.836 -8.427 -8.358 211 1HB ARG 29 2HB ARG 29 -4.627 -5.783 -7.609 212 2HB ARG 29 1HB ARG 29 -3.817 -6.853 -8.726 213 1HG ARG 29 2HG ARG 29 -4.993 -5.131 -9.911 214 2HG ARG 29 1HG ARG 29 -5.746 -6.687 -10.242 215 1HD ARG 29 2HD ARG 29 -7.641 -6.152 -9.046 216 2HD ARG 29 1HD ARG 29 -6.807 -4.932 -8.075 217 HE ARG 29 HE ARG 29 -6.638 -4.049 -10.629 218 1HH1 ARG 29 1HH1 ARG 29 -9.419 -5.056 -8.750 219 2HH1 ARG 29 2HH1 ARG 29 -10.391 -3.698 -9.103 220 1HH2 ARG 29 1HH2 ARG 29 -7.976 -2.244 -11.276 221 2HH2 ARG 29 2HH2 ARG 29 -9.529 -2.047 -10.625 222 H LYS 30 H LYS 30 -5.074 -8.154 -5.184 223 HA LYS 30 HA LYS 30 -3.380 -8.721 -3.759 224 1HB LYS 30 2HB LYS 30 -4.172 -10.959 -4.460 225 2HB LYS 30 1HB LYS 30 -3.086 -10.933 -5.835 226 1HG LYS 30 2HG LYS 30 -1.167 -11.071 -4.350 227 2HG LYS 30 1HG LYS 30 -2.229 -10.990 -2.944 228 1HD LYS 30 2HD LYS 30 -3.198 -13.108 -3.486 229 2HD LYS 30 1HD LYS 30 -2.357 -13.152 -5.038 230 1HE LYS 30 2HE LYS 30 -0.221 -13.275 -3.915 231 2HE LYS 30 1HE LYS 30 -1.006 -13.134 -2.344 232 1HZ LYS 30 1HZ LYS 30 -0.361 -15.422 -3.068 233 2HZ LYS 30 2HZ LYS 30 -1.628 -15.363 -4.208 234 3HZ LYS 30 3HZ LYS 30 -1.946 -15.223 -2.555 235 H GLN 31 H GLN 31 -2.731 -6.912 -5.335 236 HA GLN 31 HA GLN 31 0.311 -6.936 -5.721 237 1HB GLN 31 2HB GLN 31 0.384 -6.208 -7.885 238 2HB GLN 31 1HB GLN 31 -0.911 -7.376 -7.934 239 1HG GLN 31 2HG GLN 31 -2.555 -5.570 -7.933 240 2HG GLN 31 1HG GLN 31 -1.256 -4.380 -7.836 241 1HE2 GLN 31 1HE2 GLN 31 -3.251 -4.607 -9.942 242 2HE2 GLN 31 2HE2 GLN 31 -2.392 -4.946 -11.386 243 H CYS 32 H CYS 32 1.590 -5.051 -5.433 244 HA CYS 32 HA CYS 32 0.206 -3.308 -3.868 245 1HB CYS 32 2HB CYS 32 3.031 -3.634 -4.817 246 2HB CYS 32 1HB CYS 32 2.516 -2.324 -3.767 247 H LEU 33 H LEU 33 -0.243 -1.118 -4.653 248 HA LEU 33 HA LEU 33 0.800 -0.193 -7.212 249 1HB LEU 33 2HB LEU 33 -1.435 0.301 -8.083 250 2HB LEU 33 1HB LEU 33 -1.103 -1.411 -8.007 251 HG LEU 33 HG LEU 33 -2.559 -1.479 -5.925 252 1HD1 LEU 33 1HD1 LEU 33 -2.545 0.899 -5.361 253 2HD1 LEU 33 2HD1 LEU 33 -4.187 0.308 -5.630 254 3HD1 LEU 33 3HD1 LEU 33 -3.383 1.267 -6.870 255 1HD2 LEU 33 1HD2 LEU 33 -4.621 -1.487 -7.232 256 2HD2 LEU 33 2HD2 LEU 33 -3.296 -2.270 -8.091 257 3HD2 LEU 33 3HD2 LEU 33 -3.793 -0.636 -8.537 258 H ARG 34 H ARG 34 0.680 1.703 -7.668 259 HA ARG 34 HA ARG 34 1.103 3.433 -5.458 260 1HB ARG 34 2HB ARG 34 2.525 3.379 -7.475 261 2HB ARG 34 1HB ARG 34 1.178 3.867 -8.459 262 1HG ARG 34 2HG ARG 34 2.465 5.630 -6.363 263 2HG ARG 34 1HG ARG 34 2.947 5.601 -8.048 264 1HD ARG 34 2HD ARG 34 0.363 6.134 -8.414 265 2HD ARG 34 1HD ARG 34 0.506 6.726 -6.754 266 HE ARG 34 HE ARG 34 2.088 7.717 -9.041 267 1HH1 ARG 34 1HH1 ARG 34 0.602 8.373 -5.871 268 2HH1 ARG 34 2HH1 ARG 34 0.935 10.046 -5.958 269 1HH2 ARG 34 1HH2 ARG 34 2.544 9.971 -9.087 270 2HH2 ARG 34 2HH2 ARG 34 2.100 10.979 -7.803 271 H PHE 35 H PHE 35 0.034 5.051 -4.908 272 HA PHE 35 HA PHE 35 -2.379 5.299 -6.117 273 1HB PHE 35 2HB PHE 35 -3.647 5.825 -3.889 274 2HB PHE 35 1HB PHE 35 -2.993 4.221 -4.095 275 HD1 PHE 35 1HD PHE 35 -3.444 6.788 -1.861 276 HD2 PHE 35 2HD PHE 35 -0.438 4.047 -3.116 277 HE1 PHE 35 1HE PHE 35 -2.346 6.991 0.318 278 HE2 PHE 35 2HE PHE 35 0.664 4.256 -0.934 279 HZ PHE 35 HZ PHE 35 -0.294 5.723 0.790 280 H ASP 36 H ASP 36 -3.285 8.009 -5.165 281 HA ASP 36 HA ASP 36 -0.840 9.459 -5.107 282 1HB ASP 36 2HB ASP 36 -3.615 10.198 -5.985 283 2HB ASP 36 1HB ASP 36 -2.458 11.461 -5.599 284 H TYR 37 H TYR 37 -0.392 9.210 -3.011 285 HA TYR 37 HA TYR 37 -2.209 9.853 -0.856 286 1HB TYR 37 2HB TYR 37 -0.429 8.143 -0.727 287 2HB TYR 37 1HB TYR 37 0.776 9.360 -1.045 288 HD1 TYR 37 1HD TYR 37 -1.977 8.612 1.403 289 HD2 TYR 37 2HD TYR 37 1.888 10.297 0.819 290 HE1 TYR 37 1HE TYR 37 -1.779 8.973 3.828 291 HE2 TYR 37 2HE TYR 37 2.093 10.666 3.240 292 HH TYR 37 HH TYR 37 0.751 10.869 5.233 293 H THR 38 H THR 38 -2.495 11.944 -0.008 294 HA THR 38 HA THR 38 -1.024 13.862 -1.441 295 HB THR 38 HB THR 38 -2.934 15.303 -0.450 296 HG1 THR 38 1HG THR 38 -4.451 13.028 -0.331 297 1HG2 THR 38 1HG2 THR 38 -4.453 14.474 -2.206 298 2HG2 THR 38 2HG2 THR 38 -3.473 13.015 -2.358 299 3HG2 THR 38 3HG2 THR 38 -2.793 14.582 -2.794 300 H GLY 39 H GLY 39 0.306 12.668 0.703 301 1HA GLY 39 2HA GLY 39 1.638 13.120 2.467 302 2HA GLY 39 1HA GLY 39 1.365 14.785 2.045 303 H GLN 40 H GLN 40 -1.690 14.330 3.080 304 HA GLN 40 HA GLN 40 -0.851 14.323 5.868 305 1HB GLN 40 2HB GLN 40 -1.033 16.666 5.026 306 2HB GLN 40 1HB GLN 40 -2.712 16.360 4.613 307 1HG GLN 40 2HG GLN 40 -2.684 17.536 6.671 308 2HG GLN 40 1HG GLN 40 -3.124 15.860 7.023 309 1HE2 GLN 40 1HE2 GLN 40 -2.401 16.019 9.151 310 2HE2 GLN 40 2HE2 GLN 40 -0.723 16.051 9.551 311 H GLY 41 H GLY 41 -2.471 12.973 7.095 312 1HA GLY 41 2HA GLY 41 -4.688 12.600 7.588 313 2HA GLY 41 1HA GLY 41 -5.135 13.432 6.112 314 H GLY 42 H GLY 42 -3.083 10.599 6.579 315 1HA GLY 42 2HA GLY 42 -4.844 9.249 4.681 316 2HA GLY 42 1HA GLY 42 -3.093 9.087 4.690 317 H ASN 43 H ASN 43 -3.083 6.872 4.969 318 HA ASN 43 HA ASN 43 -4.285 5.622 7.330 319 1HB ASN 43 2HB ASN 43 -4.201 3.718 5.911 320 2HB ASN 43 1HB ASN 43 -5.075 4.948 5.013 321 1HD2 ASN 43 1HD2 ASN 43 -3.647 2.600 4.081 322 2HD2 ASN 43 2HD2 ASN 43 -2.414 3.165 2.996 323 H GLU 44 H GLU 44 -3.100 3.967 8.014 324 HA GLU 44 HA GLU 44 -0.373 4.672 8.872 325 1HB GLU 44 2HB GLU 44 -2.051 2.233 9.347 326 2HB GLU 44 1HB GLU 44 -0.624 2.750 10.233 327 1HG GLU 44 2HG GLU 44 -3.312 4.105 10.175 328 2HG GLU 44 1HG GLU 44 -2.586 3.230 11.522 329 H ASN 45 H ASN 45 -1.751 2.669 6.435 330 HA ASN 45 HA ASN 45 0.713 1.212 6.146 331 1HB ASN 45 2HB ASN 45 -1.451 0.130 5.701 332 2HB ASN 45 1HB ASN 45 -1.761 1.281 4.407 333 1HD2 ASN 45 1HD2 ASN 45 -0.134 -1.541 5.338 334 2HD2 ASN 45 2HD2 ASN 45 0.546 -1.929 3.793 335 H ASN 46 H ASN 46 2.213 3.643 5.294 336 HA ASN 46 HA ASN 46 1.573 3.511 2.679 337 1HB ASN 46 2HB ASN 46 1.299 5.478 4.136 338 2HB ASN 46 1HB ASN 46 2.995 5.369 4.581 339 1HD2 ASN 46 1HD2 ASN 46 0.722 6.222 2.202 340 2HD2 ASN 46 2HD2 ASN 46 1.813 7.048 1.142 341 H PHE 47 H PHE 47 3.067 2.788 1.240 342 HA PHE 47 HA PHE 47 5.622 2.194 2.347 343 1HB PHE 47 2HB PHE 47 4.359 1.095 -0.152 344 2HB PHE 47 1HB PHE 47 5.936 0.623 0.480 345 HD1 PHE 47 1HD PHE 47 2.616 -0.252 0.354 346 HD2 PHE 47 2HD PHE 47 5.849 0.028 3.077 347 HE1 PHE 47 1HE PHE 47 1.511 -1.870 1.826 348 HE2 PHE 47 2HE PHE 47 4.759 -1.591 4.554 349 HZ PHE 47 HZ PHE 47 2.580 -2.541 3.921 350 H ARG 48 H ARG 48 7.366 3.145 1.414 351 HA ARG 48 HA ARG 48 7.117 5.150 -0.810 352 1HB ARG 48 2HB ARG 48 7.935 5.904 1.430 353 2HB ARG 48 1HB ARG 48 9.285 4.802 1.241 354 1HG ARG 48 2HG ARG 48 9.909 7.099 0.688 355 2HG ARG 48 1HG ARG 48 10.056 6.041 -0.708 356 1HD ARG 48 2HD ARG 48 8.047 6.966 -1.709 357 2HD ARG 48 1HD ARG 48 7.637 7.837 -0.243 358 HE ARG 48 HE ARG 48 10.094 8.725 -0.892 359 1HH1 ARG 48 1HH1 ARG 48 7.110 8.552 -2.872 360 2HH1 ARG 48 2HH1 ARG 48 7.298 10.116 -3.500 361 1HH2 ARG 48 1HH2 ARG 48 10.292 10.904 -1.802 362 2HH2 ARG 48 2HH2 ARG 48 9.130 11.482 -2.888 363 H ARG 49 H ARG 49 8.251 1.855 -0.221 364 HA ARG 49 HA ARG 49 9.655 2.130 -2.672 365 1HB ARG 49 2HB ARG 49 11.313 2.197 -0.902 366 2HB ARG 49 1HB ARG 49 10.617 0.787 -0.133 367 1HG ARG 49 2HG ARG 49 11.406 -0.644 -1.865 368 2HG ARG 49 1HG ARG 49 11.880 0.736 -2.859 369 1HD ARG 49 2HD ARG 49 13.828 -0.270 -1.802 370 2HD ARG 49 1HD ARG 49 13.562 1.358 -1.192 371 HE ARG 49 HE ARG 49 12.708 -1.029 0.305 372 1HH1 ARG 49 1HH1 ARG 49 14.434 2.089 0.211 373 2HH1 ARG 49 2HH1 ARG 49 14.888 2.027 1.850 374 1HH2 ARG 49 1HH2 ARG 49 13.336 -1.074 2.559 375 2HH2 ARG 49 2HH2 ARG 49 14.283 0.192 3.196 376 H THR 50 H THR 50 9.256 0.366 -4.012 377 HA THR 50 HA THR 50 6.902 -1.017 -3.910 378 HB THR 50 HB THR 50 9.286 -1.834 -5.557 379 HG1 THR 50 1HG THR 50 7.488 0.257 -6.265 380 1HG2 THR 50 1HG2 THR 50 7.204 -3.154 -5.817 381 2HG2 THR 50 2HG2 THR 50 7.555 -2.220 -7.269 382 3HG2 THR 50 3HG2 THR 50 6.312 -1.668 -6.144 383 H TYR 51 H TYR 51 10.185 -2.434 -3.522 384 HA TYR 51 HA TYR 51 9.353 -5.048 -3.003 385 1HB TYR 51 2HB TYR 51 11.650 -4.664 -3.582 386 2HB TYR 51 1HB TYR 51 11.895 -3.611 -2.189 387 HD1 TYR 51 1HD TYR 51 13.017 -4.512 -0.402 388 HD2 TYR 51 2HD TYR 51 10.834 -7.122 -2.946 389 HE1 TYR 51 1HE TYR 51 13.776 -6.422 0.926 390 HE2 TYR 51 2HE TYR 51 11.597 -9.048 -1.626 391 HH TYR 51 HH TYR 51 13.330 -9.651 -0.112 392 H ASP 52 H ASP 52 9.652 -2.308 -0.899 393 HA ASP 52 HA ASP 52 9.508 -3.813 1.536 394 1HB ASP 52 2HB ASP 52 10.238 -1.443 1.492 395 2HB ASP 52 1HB ASP 52 8.610 -0.964 1.029 396 H CYS 53 H CYS 53 7.044 -2.345 -0.435 397 HA CYS 53 HA CYS 53 4.713 -3.188 0.987 398 1HB CYS 53 2HB CYS 53 4.694 -1.646 -0.956 399 2HB CYS 53 1HB CYS 53 4.994 -3.024 -2.012 400 H GLN 54 H GLN 54 6.248 -4.505 -1.503 401 HA GLN 54 HA GLN 54 5.112 -7.135 -1.909 402 1HB GLN 54 2HB GLN 54 6.538 -6.331 -3.564 403 2HB GLN 54 1HB GLN 54 7.986 -6.484 -2.528 404 1HG GLN 54 2HG GLN 54 7.471 -8.967 -2.553 405 2HG GLN 54 1HG GLN 54 6.270 -8.619 -3.800 406 1HE2 GLN 54 1HE2 GLN 54 9.607 -8.947 -3.081 407 2HE2 GLN 54 2HE2 GLN 54 10.200 -8.705 -4.676 408 H ARG 55 H ARG 55 7.787 -6.367 0.030 409 HA ARG 55 HA ARG 55 8.181 -9.012 1.030 410 1HB ARG 55 2HB ARG 55 9.996 -7.372 0.973 411 2HB ARG 55 1HB ARG 55 9.122 -6.346 2.092 412 1HG ARG 55 2HG ARG 55 9.430 -7.908 3.864 413 2HG ARG 55 1HG ARG 55 10.106 -9.108 2.753 414 1HD ARG 55 2HD ARG 55 11.965 -7.654 2.262 415 2HD ARG 55 1HD ARG 55 11.285 -6.386 3.262 416 HE ARG 55 HE ARG 55 11.573 -7.897 5.166 417 1HH1 ARG 55 1HH1 ARG 55 13.512 -8.625 2.258 418 2HH1 ARG 55 2HH1 ARG 55 14.858 -9.177 3.132 419 1HH2 ARG 55 1HH2 ARG 55 13.468 -8.650 6.363 420 2HH2 ARG 55 2HH2 ARG 55 14.860 -9.152 5.525 421 H THR 56 H THR 56 6.377 -6.074 2.432 422 HA THR 56 HA THR 56 5.822 -7.853 4.430 423 HB THR 56 HB THR 56 6.104 -5.583 5.036 424 HG1 THR 56 1HG THR 56 4.697 -6.862 6.258 425 1HG2 THR 56 1HG2 THR 56 3.602 -5.008 3.468 426 2HG2 THR 56 2HG2 THR 56 5.237 -4.511 3.045 427 3HG2 THR 56 3HG2 THR 56 4.462 -3.856 4.488 428 H CYS 57 H CYS 57 3.769 -6.771 1.710 429 HA CYS 57 HA CYS 57 1.457 -8.090 2.900 430 1HB CYS 57 2HB CYS 57 1.468 -6.147 0.578 431 2HB CYS 57 1HB CYS 57 0.089 -6.722 1.515 432 H LEU 58 H LEU 58 3.677 -8.513 0.437 433 HA LEU 58 HA LEU 58 1.893 -10.323 -0.992 434 1HB LEU 58 2HB LEU 58 3.075 -8.544 -2.252 435 2HB LEU 58 1HB LEU 58 4.604 -9.228 -1.779 436 HG LEU 58 HG LEU 58 3.894 -9.613 -4.164 437 1HD1 LEU 58 1HD1 LEU 58 4.425 -12.085 -2.548 438 2HD1 LEU 58 2HD1 LEU 58 5.626 -10.991 -3.238 439 3HD1 LEU 58 3HD1 LEU 58 4.584 -11.940 -4.299 440 1HD2 LEU 58 1HD2 LEU 58 1.533 -9.999 -3.796 441 2HD2 LEU 58 2HD2 LEU 58 1.895 -11.480 -2.903 442 3HD2 LEU 58 3HD2 LEU 58 2.264 -11.372 -4.627 443 H TYR 59 H TYR 59 4.579 -10.364 1.200 444 HA TYR 59 HA TYR 59 4.976 -13.162 0.593 445 1HB TYR 59 2HB TYR 59 6.546 -11.312 2.394 446 2HB TYR 59 1HB TYR 59 6.847 -13.038 2.271 447 HD1 TYR 59 1HD TYR 59 8.861 -10.872 1.761 448 HD2 TYR 59 2HD TYR 59 6.204 -12.891 -0.865 449 HE1 TYR 59 1HE TYR 59 10.398 -10.458 -0.106 450 HE2 TYR 59 2HE TYR 59 7.726 -12.481 -2.733 451 HH TYR 59 HH TYR 59 10.866 -11.593 -2.340 452 H THR 60 H THR 60 2.998 -14.074 1.475 453 HA THR 60 HA THR 60 2.853 -14.555 4.107 454 HB THR 60 HB THR 60 2.283 -12.174 4.471 455 HG1 THR 60 1HG THR 60 -0.275 -12.952 4.846 456 1HG2 THR 60 1HG2 THR 60 0.263 -11.139 3.495 457 2HG2 THR 60 2HG2 THR 60 -0.009 -12.591 2.533 458 3HG2 THR 60 3HG2 THR 60 1.416 -11.599 2.239 Start of MODEL 8 1 1H LYS 1 1HT LYS 1 -3.880 -13.707 7.565 2 2H LYS 1 2HT LYS 1 -3.061 -14.863 8.429 3 3H LYS 1 3HT LYS 1 -4.772 -14.864 8.422 4 HA LYS 1 HA LYS 1 -2.993 -15.085 6.071 5 1HB LYS 1 2HB LYS 1 -3.529 -17.486 5.881 6 2HB LYS 1 1HB LYS 1 -2.863 -17.190 7.482 7 1HG LYS 1 2HG LYS 1 -5.061 -17.223 8.464 8 2HG LYS 1 1HG LYS 1 -5.808 -17.354 6.875 9 1HD LYS 1 2HD LYS 1 -4.658 -19.530 6.582 10 2HD LYS 1 1HD LYS 1 -4.058 -19.392 8.239 11 1HE LYS 1 2HE LYS 1 -6.335 -19.313 9.073 12 2HE LYS 1 1HE LYS 1 -6.959 -19.389 7.428 13 1HZ LYS 1 1HZ LYS 1 -5.398 -21.486 8.822 14 2HZ LYS 1 2HZ LYS 1 -5.905 -21.584 7.219 15 3HZ LYS 1 3HZ LYS 1 -7.051 -21.527 8.488 16 H ASP 2 H ASP 2 -6.291 -14.923 7.233 17 HA ASP 2 HA ASP 2 -7.300 -15.097 4.540 18 1HB ASP 2 2HB ASP 2 -8.801 -15.844 6.335 19 2HB ASP 2 1HB ASP 2 -8.628 -14.294 7.149 20 H ARG 3 H ARG 3 -7.408 -12.259 6.867 21 HA ARG 3 HA ARG 3 -6.616 -10.773 4.567 22 1HB ARG 3 2HB ARG 3 -7.612 -8.881 5.812 23 2HB ARG 3 1HB ARG 3 -8.804 -10.131 5.496 24 1HG ARG 3 2HG ARG 3 -8.626 -10.909 7.791 25 2HG ARG 3 1HG ARG 3 -7.375 -9.707 8.113 26 1HD ARG 3 2HD ARG 3 -9.570 -8.992 8.932 27 2HD ARG 3 1HD ARG 3 -8.944 -7.919 7.683 28 HE ARG 3 HE ARG 3 -10.531 -9.823 6.425 29 1HH1 ARG 3 1HH1 ARG 3 -11.012 -7.269 8.813 30 2HH1 ARG 3 2HH1 ARG 3 -12.569 -6.847 8.264 31 1HH2 ARG 3 1HH2 ARG 3 -12.592 -9.285 5.664 32 2HH2 ARG 3 2HH2 ARG 3 -13.520 -8.035 6.376 33 HA PRO 4 HA PRO 4 -2.716 -10.363 6.648 34 1HB PRO 4 2HB PRO 4 -2.764 -7.714 5.341 35 2HB PRO 4 1HB PRO 4 -1.537 -8.991 5.272 36 1HG PRO 4 2HG PRO 4 -3.093 -8.620 3.189 37 2HG PRO 4 1HG PRO 4 -2.787 -10.277 3.759 38 1HD PRO 4 2HD PRO 4 -5.163 -8.522 4.246 39 2HD PRO 4 1HD PRO 4 -5.111 -10.230 3.741 40 H SER 5 H SER 5 -1.836 -9.376 8.358 41 HA SER 5 HA SER 5 -3.134 -8.047 10.069 42 1HB SER 5 2HB SER 5 -0.233 -7.450 9.558 43 2HB SER 5 1HB SER 5 -1.061 -7.290 11.111 44 HG SER 5 HG SER 5 -0.287 -9.251 11.242 45 H LEU 6 H LEU 6 -0.898 -6.471 7.640 46 HA LEU 6 HA LEU 6 -2.208 -3.906 8.077 47 1HB LEU 6 2HB LEU 6 -0.070 -2.810 7.464 48 2HB LEU 6 1HB LEU 6 -0.037 -3.725 8.946 49 HG LEU 6 HG LEU 6 1.098 -5.584 7.594 50 1HD1 LEU 6 1HD1 LEU 6 2.323 -4.895 5.607 51 2HD1 LEU 6 2HD1 LEU 6 1.510 -3.330 5.654 52 3HD1 LEU 6 3HD1 LEU 6 0.577 -4.796 5.368 53 1HD2 LEU 6 1HD2 LEU 6 3.298 -4.536 7.817 54 2HD2 LEU 6 2HD2 LEU 6 2.275 -4.218 9.220 55 3HD2 LEU 6 3HD2 LEU 6 2.526 -2.961 8.006 56 H CYS 7 H CYS 7 -1.901 -6.213 5.825 57 HA CYS 7 HA CYS 7 -1.728 -4.376 3.736 58 1HB CYS 7 2HB CYS 7 -2.373 -7.280 3.405 59 2HB CYS 7 1HB CYS 7 -1.821 -6.198 2.126 60 H ASP 8 H ASP 8 -4.177 -5.301 5.557 61 HA ASP 8 HA ASP 8 -6.482 -5.167 3.759 62 1HB ASP 8 2HB ASP 8 -6.390 -7.053 5.428 63 2HB ASP 8 1HB ASP 8 -6.331 -5.870 6.727 64 H LEU 9 H LEU 9 -4.943 -3.026 4.050 65 HA LEU 9 HA LEU 9 -5.099 -1.351 6.284 66 1HB LEU 9 2HB LEU 9 -3.670 -0.035 4.757 67 2HB LEU 9 1HB LEU 9 -3.104 -1.666 5.027 68 HG LEU 9 HG LEU 9 -4.486 -2.084 2.765 69 1HD1 LEU 9 1HD1 LEU 9 -4.132 -0.324 1.153 70 2HD1 LEU 9 2HD1 LEU 9 -3.531 0.724 2.435 71 3HD1 LEU 9 3HD1 LEU 9 -5.204 0.180 2.464 72 1HD2 LEU 9 1HD2 LEU 9 -2.185 -2.717 3.091 73 2HD2 LEU 9 2HD2 LEU 9 -1.668 -1.046 2.870 74 3HD2 LEU 9 3HD2 LEU 9 -2.386 -1.932 1.525 75 HA PRO 10 HA PRO 10 -8.211 1.093 4.499 76 1HB PRO 10 2HB PRO 10 -7.064 3.642 5.303 77 2HB PRO 10 1HB PRO 10 -8.438 2.786 6.006 78 1HG PRO 10 2HG PRO 10 -5.980 3.106 7.230 79 2HG PRO 10 1HG PRO 10 -7.175 1.863 7.646 80 1HD PRO 10 2HD PRO 10 -4.693 1.650 6.018 81 2HD PRO 10 1HD PRO 10 -5.462 0.447 7.080 82 H ALA 11 H ALA 11 -8.018 0.999 2.300 83 HA ALA 11 HA ALA 11 -5.724 2.263 0.811 84 1HB ALA 11 1HB ALA 11 -8.388 1.017 -0.099 85 2HB ALA 11 2HB ALA 11 -6.823 0.216 -0.229 86 3HB ALA 11 3HB ALA 11 -7.161 1.658 -1.194 87 H ASP 12 H ASP 12 -5.736 4.048 1.678 88 HA ASP 12 HA ASP 12 -7.945 5.886 1.083 89 1HB ASP 12 2HB ASP 12 -8.004 5.360 3.526 90 2HB ASP 12 1HB ASP 12 -6.357 5.975 3.655 91 H SER 13 H SER 13 -7.665 7.830 0.357 92 HA SER 13 HA SER 13 -5.002 8.262 -0.891 93 1HB SER 13 2HB SER 13 -7.617 9.696 -1.333 94 2HB SER 13 1HB SER 13 -6.164 9.751 -2.336 95 HG SER 13 HG SER 13 -7.740 7.473 -1.817 96 H GLY 14 H GLY 14 -6.728 9.540 1.759 97 1HA GLY 14 2HA GLY 14 -5.701 10.934 3.302 98 2HA GLY 14 1HA GLY 14 -4.471 11.311 2.110 99 H SER 15 H SER 15 -5.293 13.382 3.476 100 HA SER 15 HA SER 15 -7.553 14.654 2.048 101 1HB SER 15 2HB SER 15 -6.670 15.032 4.897 102 2HB SER 15 1HB SER 15 -8.097 15.721 4.114 103 HG SER 15 HG SER 15 -7.621 12.935 4.334 104 H GLY 16 H GLY 16 -4.482 14.683 1.649 105 1HA GLY 16 2HA GLY 16 -3.616 17.096 2.945 106 2HA GLY 16 1HA GLY 16 -2.644 15.988 2.014 107 H THR 17 H THR 17 -2.105 18.325 1.741 108 HA THR 17 HA THR 17 -3.322 19.677 -0.647 109 HB THR 17 HB THR 17 -2.858 21.013 1.416 110 HG1 THR 17 1HG THR 17 -2.667 21.743 -0.858 111 1HG2 THR 17 1HG2 THR 17 -0.868 19.844 2.224 112 2HG2 THR 17 2HG2 THR 17 -0.516 21.556 1.986 113 3HG2 THR 17 3HG2 THR 17 0.036 20.364 0.804 114 H LYS 18 H LYS 18 -0.796 17.395 -0.157 115 HA LYS 18 HA LYS 18 1.049 18.438 -2.259 116 1HB LYS 18 2HB LYS 18 1.917 18.214 0.100 117 2HB LYS 18 1HB LYS 18 1.251 16.600 0.153 118 1HG LYS 18 2HG LYS 18 3.666 16.591 -0.163 119 2HG LYS 18 1HG LYS 18 2.836 15.867 -1.534 120 1HD LYS 18 2HD LYS 18 3.110 17.960 -2.786 121 2HD LYS 18 1HD LYS 18 3.960 18.667 -1.407 122 1HE LYS 18 2HE LYS 18 5.694 16.978 -1.574 123 2HE LYS 18 1HE LYS 18 4.827 16.193 -2.892 124 1HZ LYS 18 1HZ LYS 18 5.151 18.141 -4.237 125 2HZ LYS 18 2HZ LYS 18 6.637 17.567 -3.682 126 3HZ LYS 18 3HZ LYS 18 5.939 18.944 -2.966 127 H ALA 19 H ALA 19 1.901 16.891 -3.536 128 HA ALA 19 HA ALA 19 0.232 14.481 -3.968 129 1HB ALA 19 1HB ALA 19 1.929 16.046 -5.936 130 2HB ALA 19 2HB ALA 19 0.166 16.088 -5.877 131 3HB ALA 19 3HB ALA 19 1.003 14.591 -6.295 132 H GLU 20 H GLU 20 1.167 12.688 -3.431 133 HA GLU 20 HA GLU 20 4.038 12.658 -3.372 134 1HB GLU 20 2HB GLU 20 3.249 13.274 -1.179 135 2HB GLU 20 1HB GLU 20 2.126 11.932 -1.157 136 1HG GLU 20 2HG GLU 20 3.965 11.449 0.254 137 2HG GLU 20 1HG GLU 20 4.023 10.389 -1.147 138 H LYS 21 H LYS 21 4.713 10.661 -4.221 139 HA LYS 21 HA LYS 21 2.634 8.711 -5.058 140 1HB LYS 21 2HB LYS 21 4.121 9.903 -6.772 141 2HB LYS 21 1HB LYS 21 5.492 9.162 -5.974 142 1HG LYS 21 2HG LYS 21 3.264 7.528 -7.164 143 2HG LYS 21 1HG LYS 21 4.616 8.101 -8.129 144 1HD LYS 21 2HD LYS 21 4.859 6.366 -5.663 145 2HD LYS 21 1HD LYS 21 4.893 5.767 -7.321 146 1HE LYS 21 2HE LYS 21 6.861 7.137 -7.759 147 2HE LYS 21 1HE LYS 21 6.825 7.722 -6.095 148 1HZ LYS 21 1HZ LYS 21 7.164 4.881 -6.890 149 2HZ LYS 21 2HZ LYS 21 7.263 5.487 -5.323 150 3HZ LYS 21 3HZ LYS 21 8.416 5.938 -6.496 151 H ARG 22 H ARG 22 2.190 7.323 -3.510 152 HA ARG 22 HA ARG 22 4.567 6.226 -2.463 153 1HB ARG 22 2HB ARG 22 1.880 6.660 -1.210 154 2HB ARG 22 1HB ARG 22 3.156 5.725 -0.444 155 1HG ARG 22 2HG ARG 22 3.475 8.586 -1.323 156 2HG ARG 22 1HG ARG 22 3.010 8.095 0.309 157 1HD ARG 22 2HD ARG 22 5.100 6.881 0.559 158 2HD ARG 22 1HD ARG 22 5.547 7.275 -1.102 159 HE ARG 22 HE ARG 22 5.860 9.514 -0.478 160 1HH1 ARG 22 1HH1 ARG 22 5.121 7.512 2.395 161 2HH1 ARG 22 2HH1 ARG 22 5.820 8.633 3.481 162 1HH2 ARG 22 1HH2 ARG 22 6.817 10.982 1.035 163 2HH2 ARG 22 2HH2 ARG 22 6.842 10.625 2.684 164 H ILE 23 H ILE 23 3.600 3.639 -1.442 165 HA ILE 23 HA ILE 23 1.626 2.801 -3.398 166 HB ILE 23 HB ILE 23 3.877 2.254 -4.404 167 1HG1 ILE 23 2HG1 ILE 23 2.445 -0.264 -3.551 168 2HG1 ILE 23 1HG1 ILE 23 1.887 0.801 -4.834 169 1HG2 ILE 23 1HG2 ILE 23 5.256 0.499 -3.432 170 2HG2 ILE 23 2HG2 ILE 23 4.189 0.410 -2.051 171 3HG2 ILE 23 3HG2 ILE 23 5.151 1.886 -2.324 172 1HD1 ILE 23 1HD1 ILE 23 3.922 0.373 -6.098 173 2HD1 ILE 23 2HD1 ILE 23 3.087 -1.131 -5.720 174 3HD1 ILE 23 3HD1 ILE 23 4.520 -0.657 -4.801 175 H TYR 24 H TYR 24 0.351 1.028 -2.668 176 HA TYR 24 HA TYR 24 1.098 -0.194 -0.186 177 1HB TYR 24 2HB TYR 24 -1.166 0.098 0.848 178 2HB TYR 24 1HB TYR 24 -0.239 1.571 0.745 179 HD1 TYR 24 1HD TYR 24 -2.008 0.424 -2.295 180 HD2 TYR 24 2HD TYR 24 -2.270 2.792 1.227 181 HE1 TYR 24 1HE TYR 24 -3.990 1.564 -3.208 182 HE2 TYR 24 2HE TYR 24 -4.234 3.935 0.324 183 HH TYR 24 HH TYR 24 -5.235 4.412 -1.780 184 H TYR 25 H TYR 25 -0.855 -2.004 0.345 185 HA TYR 25 HA TYR 25 -0.671 -3.546 -1.880 186 1HB TYR 25 2HB TYR 25 -0.435 -4.341 0.367 187 2HB TYR 25 1HB TYR 25 -2.080 -3.887 0.749 188 HD1 TYR 25 1HD TYR 25 -0.088 -6.180 -1.418 189 HD2 TYR 25 2HD TYR 25 -3.790 -5.465 0.547 190 HE1 TYR 25 1HE TYR 25 -0.784 -8.485 -1.894 191 HE2 TYR 25 2HE TYR 25 -4.502 -7.762 0.064 192 HH TYR 25 HH TYR 25 -2.316 -10.144 -1.024 193 H ASN 26 H ASN 26 -2.471 -3.997 -3.361 194 HA ASN 26 HA ASN 26 -5.167 -2.968 -2.663 195 1HB ASN 26 2HB ASN 26 -4.211 -2.274 -4.926 196 2HB ASN 26 1HB ASN 26 -4.125 -3.991 -5.331 197 1HD2 ASN 26 1HD2 ASN 26 -6.214 -1.276 -4.825 198 2HD2 ASN 26 2HD2 ASN 26 -7.661 -2.030 -5.373 199 H SER 27 H SER 27 -6.542 -4.187 -2.126 200 HA SER 27 HA SER 27 -5.545 -6.633 -1.379 201 1HB SER 27 2HB SER 27 -8.299 -5.553 -0.780 202 2HB SER 27 1HB SER 27 -7.659 -7.027 -0.056 203 HG SER 27 HG SER 27 -6.354 -5.922 1.143 204 H ALA 28 H ALA 28 -8.012 -5.724 -3.687 205 HA ALA 28 HA ALA 28 -9.093 -8.319 -4.087 206 1HB ALA 28 1HB ALA 28 -10.386 -6.329 -4.516 207 2HB ALA 28 2HB ALA 28 -10.227 -7.293 -5.986 208 3HB ALA 28 3HB ALA 28 -9.251 -5.838 -5.775 209 H ARG 29 H ARG 29 -6.779 -6.239 -5.607 210 HA ARG 29 HA ARG 29 -6.187 -8.091 -7.825 211 1HB ARG 29 2HB ARG 29 -4.589 -5.633 -7.068 212 2HB ARG 29 1HB ARG 29 -4.465 -6.533 -8.565 213 1HG ARG 29 2HG ARG 29 -6.845 -4.951 -7.664 214 2HG ARG 29 1HG ARG 29 -5.630 -4.410 -8.811 215 1HD ARG 29 2HD ARG 29 -6.242 -6.276 -10.284 216 2HD ARG 29 1HD ARG 29 -7.490 -6.751 -9.129 217 HE ARG 29 HE ARG 29 -8.010 -4.162 -9.577 218 1HH1 ARG 29 1HH1 ARG 29 -7.764 -7.008 -11.681 219 2HH1 ARG 29 2HH1 ARG 29 -8.737 -6.340 -12.913 220 1HH2 ARG 29 1HH2 ARG 29 -9.384 -3.287 -11.255 221 2HH2 ARG 29 2HH2 ARG 29 -9.685 -4.177 -12.673 222 H LYS 30 H LYS 30 -5.285 -7.960 -4.710 223 HA LYS 30 HA LYS 30 -3.603 -8.798 -3.369 224 1HB LYS 30 2HB LYS 30 -4.664 -10.847 -4.311 225 2HB LYS 30 1HB LYS 30 -3.511 -10.837 -5.631 226 1HG LYS 30 2HG LYS 30 -1.710 -11.338 -4.092 227 2HG LYS 30 1HG LYS 30 -2.818 -11.229 -2.723 228 1HD LYS 30 2HD LYS 30 -4.080 -13.127 -3.554 229 2HD LYS 30 1HD LYS 30 -3.064 -13.199 -4.994 230 1HE LYS 30 2HE LYS 30 -2.044 -13.556 -2.176 231 2HE LYS 30 1HE LYS 30 -2.485 -14.883 -3.251 232 1HZ LYS 30 1HZ LYS 30 -0.096 -14.473 -3.314 233 2HZ LYS 30 2HZ LYS 30 -0.353 -12.869 -3.830 234 3HZ LYS 30 3HZ LYS 30 -0.808 -14.148 -4.796 235 H GLN 31 H GLN 31 -2.903 -7.053 -4.995 236 HA GLN 31 HA GLN 31 0.160 -7.025 -5.293 237 1HB GLN 31 2HB GLN 31 0.233 -6.374 -7.553 238 2HB GLN 31 1HB GLN 31 -0.701 -7.855 -7.458 239 1HG GLN 31 2HG GLN 31 -2.744 -6.548 -7.643 240 2HG GLN 31 1HG GLN 31 -1.779 -5.079 -7.789 241 1HE2 GLN 31 1HE2 GLN 31 -2.544 -4.643 -9.819 242 2HE2 GLN 31 2HE2 GLN 31 -2.077 -5.569 -11.199 243 H CYS 32 H CYS 32 1.394 -5.145 -5.349 244 HA CYS 32 HA CYS 32 0.094 -3.279 -3.749 245 1HB CYS 32 2HB CYS 32 2.734 -3.300 -5.162 246 2HB CYS 32 1HB CYS 32 2.237 -2.202 -3.893 247 H LEU 33 H LEU 33 -0.290 -1.190 -4.309 248 HA LEU 33 HA LEU 33 -0.274 -0.608 -7.091 249 1HB LEU 33 2HB LEU 33 -2.459 -1.469 -6.765 250 2HB LEU 33 1HB LEU 33 -2.631 -0.669 -5.223 251 HG LEU 33 HG LEU 33 -2.668 1.456 -6.431 252 1HD1 LEU 33 1HD1 LEU 33 -3.330 1.420 -8.828 253 2HD1 LEU 33 2HD1 LEU 33 -3.045 -0.321 -8.846 254 3HD1 LEU 33 3HD1 LEU 33 -1.708 0.786 -8.557 255 1HD2 LEU 33 1HD2 LEU 33 -5.043 1.244 -7.092 256 2HD2 LEU 33 2HD2 LEU 33 -4.676 0.509 -5.533 257 3HD2 LEU 33 3HD2 LEU 33 -4.887 -0.508 -6.961 258 H ARG 34 H ARG 34 0.253 1.458 -7.326 259 HA ARG 34 HA ARG 34 0.953 3.157 -5.148 260 1HB ARG 34 2HB ARG 34 2.261 2.808 -7.266 261 2HB ARG 34 1HB ARG 34 0.959 3.553 -8.160 262 1HG ARG 34 2HG ARG 34 2.541 4.989 -6.042 263 2HG ARG 34 1HG ARG 34 3.011 4.958 -7.728 264 1HD ARG 34 2HD ARG 34 0.428 6.026 -6.623 265 2HD ARG 34 1HD ARG 34 1.811 6.990 -7.120 266 HE ARG 34 HE ARG 34 1.286 5.572 -9.330 267 1HH1 ARG 34 1HH1 ARG 34 -0.719 7.520 -7.225 268 2HH1 ARG 34 2HH1 ARG 34 -1.813 8.015 -8.417 269 1HH2 ARG 34 1HH2 ARG 34 -0.195 6.180 -11.009 270 2HH2 ARG 34 2HH2 ARG 34 -1.458 7.291 -10.656 271 H PHE 35 H PHE 35 -0.053 4.921 -4.654 272 HA PHE 35 HA PHE 35 -2.538 5.221 -5.844 273 1HB PHE 35 2HB PHE 35 -3.687 5.957 -3.615 274 2HB PHE 35 1HB PHE 35 -3.135 4.305 -3.781 275 HD1 PHE 35 1HD PHE 35 -0.542 4.026 -2.879 276 HD2 PHE 35 2HD PHE 35 -3.361 6.948 -1.596 277 HE1 PHE 35 1HE PHE 35 0.636 4.217 -0.735 278 HE2 PHE 35 2HE PHE 35 -2.170 7.145 0.545 279 HZ PHE 35 HZ PHE 35 -0.173 5.785 0.977 280 H ASP 36 H ASP 36 -3.407 7.937 -5.098 281 HA ASP 36 HA ASP 36 -0.997 9.401 -5.346 282 1HB ASP 36 2HB ASP 36 -3.880 10.236 -5.859 283 2HB ASP 36 1HB ASP 36 -2.540 11.352 -5.975 284 H TYR 37 H TYR 37 -0.493 9.309 -3.140 285 HA TYR 37 HA TYR 37 -2.389 10.040 -1.121 286 1HB TYR 37 2HB TYR 37 -0.676 8.390 -0.647 287 2HB TYR 37 1HB TYR 37 0.589 9.520 -1.091 288 HD1 TYR 37 1HD TYR 37 -2.378 9.729 1.213 289 HD2 TYR 37 2HD TYR 37 1.829 10.113 0.735 290 HE1 TYR 37 1HE TYR 37 -2.183 10.498 3.548 291 HE2 TYR 37 2HE TYR 37 2.036 10.874 3.044 292 HH TYR 37 HH TYR 37 0.681 11.946 4.728 293 H THR 38 H THR 38 -2.596 12.175 -0.184 294 HA THR 38 HA THR 38 -1.197 14.037 -1.714 295 HB THR 38 HB THR 38 -3.032 15.494 -0.540 296 HG1 THR 38 1HG THR 38 -4.542 13.195 -0.441 297 1HG2 THR 38 1HG2 THR 38 -4.644 14.796 -2.263 298 2HG2 THR 38 2HG2 THR 38 -3.718 13.316 -2.536 299 3HG2 THR 38 3HG2 THR 38 -3.018 14.883 -2.938 300 H GLY 39 H GLY 39 0.251 12.828 0.344 301 1HA GLY 39 2HA GLY 39 1.715 13.230 2.021 302 2HA GLY 39 1HA GLY 39 1.439 14.909 1.663 303 H GLN 40 H GLN 40 -1.568 14.437 2.833 304 HA GLN 40 HA GLN 40 -0.557 14.390 5.526 305 1HB GLN 40 2HB GLN 40 -0.619 16.734 4.777 306 2HB GLN 40 1HB GLN 40 -2.326 16.565 4.392 307 1HG GLN 40 2HG GLN 40 -1.952 17.739 6.502 308 2HG GLN 40 1HG GLN 40 -2.851 16.236 6.728 309 1HE2 GLN 40 1HE2 GLN 40 -2.248 16.160 8.864 310 2HE2 GLN 40 2HE2 GLN 40 -0.683 15.667 9.396 311 H GLY 41 H GLY 41 -2.119 13.074 6.885 312 1HA GLY 41 2HA GLY 41 -4.305 12.779 7.571 313 2HA GLY 41 1HA GLY 41 -4.848 13.646 6.144 314 H GLY 42 H GLY 42 -2.861 10.713 6.387 315 1HA GLY 42 2HA GLY 42 -4.856 9.456 4.655 316 2HA GLY 42 1HA GLY 42 -3.120 9.214 4.513 317 H ASN 43 H ASN 43 -3.160 7.000 4.791 318 HA ASN 43 HA ASN 43 -4.339 5.760 7.186 319 1HB ASN 43 2HB ASN 43 -4.210 3.850 5.802 320 2HB ASN 43 1HB ASN 43 -5.033 5.065 4.834 321 1HD2 ASN 43 1HD2 ASN 43 -3.684 2.744 3.878 322 2HD2 ASN 43 2HD2 ASN 43 -2.335 3.282 2.927 323 H GLU 44 H GLU 44 -3.188 4.176 8.014 324 HA GLU 44 HA GLU 44 -0.470 4.902 8.872 325 1HB GLU 44 2HB GLU 44 -0.772 3.024 10.300 326 2HB GLU 44 1HB GLU 44 -2.183 4.062 10.409 327 1HG GLU 44 2HG GLU 44 -3.425 2.542 8.956 328 2HG GLU 44 1HG GLU 44 -2.000 1.513 8.815 329 H ASN 45 H ASN 45 -1.773 2.915 6.475 330 HA ASN 45 HA ASN 45 0.732 1.485 6.356 331 1HB ASN 45 2HB ASN 45 -1.359 0.274 5.881 332 2HB ASN 45 1HB ASN 45 -1.628 1.308 4.481 333 1HD2 ASN 45 1HD2 ASN 45 0.212 -1.303 5.796 334 2HD2 ASN 45 2HD2 ASN 45 0.971 -1.754 4.315 335 H ASN 46 H ASN 46 2.246 3.832 5.393 336 HA ASN 46 HA ASN 46 1.608 3.669 2.760 337 1HB ASN 46 2HB ASN 46 1.508 5.696 4.170 338 2HB ASN 46 1HB ASN 46 3.202 5.472 4.573 339 1HD2 ASN 46 1HD2 ASN 46 0.957 6.625 2.379 340 2HD2 ASN 46 2HD2 ASN 46 2.035 7.244 1.187 341 H PHE 47 H PHE 47 3.123 2.937 1.277 342 HA PHE 47 HA PHE 47 5.692 2.358 2.412 343 1HB PHE 47 2HB PHE 47 4.443 1.144 -0.050 344 2HB PHE 47 1HB PHE 47 6.062 0.772 0.534 345 HD1 PHE 47 1HD PHE 47 2.725 -0.199 0.603 346 HD2 PHE 47 2HD PHE 47 6.164 0.097 3.077 347 HE1 PHE 47 1HE PHE 47 1.763 -1.855 2.136 348 HE2 PHE 47 2HE PHE 47 5.210 -1.561 4.609 349 HZ PHE 47 HZ PHE 47 3.003 -2.534 4.137 350 H ARG 48 H ARG 48 7.441 3.285 1.479 351 HA ARG 48 HA ARG 48 7.138 5.293 -0.715 352 1HB ARG 48 2HB ARG 48 7.999 6.043 1.517 353 2HB ARG 48 1HB ARG 48 9.341 4.935 1.311 354 1HG ARG 48 2HG ARG 48 9.946 7.252 0.753 355 2HG ARG 48 1HG ARG 48 10.115 6.176 -0.627 356 1HD ARG 48 2HD ARG 48 8.023 7.034 -1.601 357 2HD ARG 48 1HD ARG 48 7.699 7.991 -0.178 358 HE ARG 48 HE ARG 48 10.145 8.811 -1.035 359 1HH1 ARG 48 1HH1 ARG 48 6.975 8.567 -2.689 360 2HH1 ARG 48 2HH1 ARG 48 7.181 10.055 -3.460 361 1HH2 ARG 48 1HH2 ARG 48 10.367 10.759 -2.134 362 2HH2 ARG 48 2HH2 ARG 48 9.115 11.354 -3.161 363 H ARG 49 H ARG 49 8.298 2.042 -0.085 364 HA ARG 49 HA ARG 49 9.896 2.289 -2.414 365 1HB ARG 49 2HB ARG 49 11.383 2.289 -0.551 366 2HB ARG 49 1HB ARG 49 10.492 1.005 0.246 367 1HG ARG 49 2HG ARG 49 11.268 -0.546 -1.542 368 2HG ARG 49 1HG ARG 49 12.269 0.768 -2.175 369 1HD ARG 49 2HD ARG 49 13.516 0.893 -0.137 370 2HD ARG 49 1HD ARG 49 12.419 -0.234 0.662 371 HE ARG 49 HE ARG 49 13.766 -1.288 -1.670 372 1HH1 ARG 49 1HH1 ARG 49 13.916 -0.895 1.872 373 2HH1 ARG 49 2HH1 ARG 49 15.001 -2.176 2.096 374 1HH2 ARG 49 1HH2 ARG 49 15.224 -3.143 -1.306 375 2HH2 ARG 49 2HH2 ARG 49 15.716 -3.511 0.265 376 H THR 50 H THR 50 9.565 0.541 -3.765 377 HA THR 50 HA THR 50 7.217 -0.909 -3.768 378 HB THR 50 HB THR 50 9.735 -1.457 -5.354 379 HG1 THR 50 1HG THR 50 7.644 0.215 -6.251 380 1HG2 THR 50 1HG2 THR 50 8.166 -2.184 -7.099 381 2HG2 THR 50 2HG2 THR 50 6.808 -1.865 -6.017 382 3HG2 THR 50 3HG2 THR 50 7.957 -3.147 -5.636 383 H TYR 51 H TYR 51 10.511 -2.035 -2.909 384 HA TYR 51 HA TYR 51 9.766 -4.756 -2.588 385 1HB TYR 51 2HB TYR 51 12.119 -4.017 -2.868 386 2HB TYR 51 1HB TYR 51 12.068 -3.280 -1.275 387 HD1 TYR 51 1HD TYR 51 12.892 -4.495 0.506 388 HD2 TYR 51 2HD TYR 51 11.530 -6.563 -2.950 389 HE1 TYR 51 1HE TYR 51 13.684 -6.614 1.462 390 HE2 TYR 51 2HE TYR 51 12.315 -8.679 -2.003 391 HH TYR 51 HH TYR 51 13.965 -9.408 -0.429 392 H ASP 52 H ASP 52 9.806 -1.986 -0.469 393 HA ASP 52 HA ASP 52 9.327 -3.395 1.961 394 1HB ASP 52 2HB ASP 52 8.470 -0.605 1.175 395 2HB ASP 52 1HB ASP 52 8.002 -1.310 2.710 396 H CYS 53 H CYS 53 6.997 -2.231 -0.414 397 HA CYS 53 HA CYS 53 4.743 -3.181 0.995 398 1HB CYS 53 2HB CYS 53 3.441 -2.722 -0.850 399 2HB CYS 53 1HB CYS 53 4.820 -1.676 -1.117 400 H GLN 54 H GLN 54 6.420 -4.506 -1.428 401 HA GLN 54 HA GLN 54 5.360 -7.148 -1.810 402 1HB GLN 54 2HB GLN 54 6.843 -6.384 -3.465 403 2HB GLN 54 1HB GLN 54 8.242 -6.490 -2.368 404 1HG GLN 54 2HG GLN 54 7.731 -8.975 -2.285 405 2HG GLN 54 1HG GLN 54 6.601 -8.695 -3.604 406 1HE2 GLN 54 1HE2 GLN 54 7.760 -9.952 -5.066 407 2HE2 GLN 54 2HE2 GLN 54 9.276 -9.424 -5.697 408 H ARG 55 H ARG 55 8.074 -6.355 0.121 409 HA ARG 55 HA ARG 55 8.501 -8.980 1.266 410 1HB ARG 55 2HB ARG 55 10.292 -7.299 1.288 411 2HB ARG 55 1HB ARG 55 9.278 -6.203 2.205 412 1HG ARG 55 2HG ARG 55 9.354 -7.734 4.099 413 2HG ARG 55 1HG ARG 55 10.383 -8.824 3.162 414 1HD ARG 55 2HD ARG 55 12.186 -7.404 3.233 415 2HD ARG 55 1HD ARG 55 11.188 -5.975 3.444 416 HE ARG 55 HE ARG 55 10.667 -7.108 5.703 417 1HH1 ARG 55 1HH1 ARG 55 13.884 -7.311 4.211 418 2HH1 ARG 55 2HH1 ARG 55 14.730 -6.979 5.652 419 1HH2 ARG 55 1HH2 ARG 55 11.857 -6.744 7.710 420 2HH2 ARG 55 2HH2 ARG 55 13.564 -6.635 7.677 421 H THR 56 H THR 56 6.590 -6.073 2.537 422 HA THR 56 HA THR 56 5.981 -7.851 4.538 423 HB THR 56 HB THR 56 6.074 -5.492 5.060 424 HG1 THR 56 1HG THR 56 3.822 -7.029 5.582 425 1HG2 THR 56 1HG2 THR 56 4.300 -3.971 4.378 426 2HG2 THR 56 2HG2 THR 56 3.545 -5.260 3.442 427 3HG2 THR 56 3HG2 THR 56 5.125 -4.634 2.970 428 H CYS 57 H CYS 57 4.148 -7.041 1.557 429 HA CYS 57 HA CYS 57 1.835 -8.532 2.581 430 1HB CYS 57 2HB CYS 57 2.040 -6.605 0.294 431 2HB CYS 57 1HB CYS 57 0.586 -7.499 0.728 432 H LEU 58 H LEU 58 4.321 -9.020 0.357 433 HA LEU 58 HA LEU 58 2.644 -10.914 -1.044 434 1HB LEU 58 2HB LEU 58 3.833 -9.242 -2.384 435 2HB LEU 58 1HB LEU 58 5.360 -9.818 -1.782 436 HG LEU 58 HG LEU 58 4.799 -10.421 -4.161 437 1HD1 LEU 58 1HD1 LEU 58 5.335 -12.742 -2.333 438 2HD1 LEU 58 2HD1 LEU 58 6.529 -11.640 -3.006 439 3HD1 LEU 58 3HD1 LEU 58 5.614 -12.710 -4.075 440 1HD2 LEU 58 1HD2 LEU 58 2.434 -10.890 -3.879 441 2HD2 LEU 58 2HD2 LEU 58 2.816 -12.281 -2.862 442 3HD2 LEU 58 3HD2 LEU 58 3.270 -12.280 -4.567 443 H TYR 59 H TYR 59 5.298 -10.756 1.195 444 HA TYR 59 HA TYR 59 5.801 -13.531 0.666 445 1HB TYR 59 2HB TYR 59 7.434 -11.573 2.291 446 2HB TYR 59 1HB TYR 59 7.764 -13.308 2.241 447 HD1 TYR 59 1HD TYR 59 8.345 -10.174 0.606 448 HD2 TYR 59 2HD TYR 59 8.121 -14.366 -0.056 449 HE1 TYR 59 1HE TYR 59 9.584 -9.906 -1.506 450 HE2 TYR 59 2HE TYR 59 9.366 -14.112 -2.158 451 HH TYR 59 HH TYR 59 10.992 -11.281 -3.041 452 H THR 60 H THR 60 3.933 -14.079 1.258 453 HA THR 60 HA THR 60 3.867 -15.253 3.831 454 HB THR 60 HB THR 60 2.746 -13.205 4.487 455 HG1 THR 60 1HG THR 60 1.597 -14.540 5.565 456 1HG2 THR 60 1HG2 THR 60 0.696 -12.343 3.398 457 2HG2 THR 60 2HG2 THR 60 0.828 -13.596 2.168 458 3HG2 THR 60 3HG2 THR 60 2.067 -12.344 2.284 Start of MODEL 9 1 1H LYS 1 1HT LYS 1 2.727 -16.285 10.019 2 2H LYS 1 2HT LYS 1 1.046 -16.231 9.943 3 3H LYS 1 3HT LYS 1 1.913 -14.866 9.548 4 HA LYS 1 HA LYS 1 2.826 -15.972 7.615 5 1HB LYS 1 2HB LYS 1 2.741 -18.290 8.644 6 2HB LYS 1 1HB LYS 1 1.003 -18.262 8.505 7 1HG LYS 1 2HG LYS 1 2.870 -18.205 6.122 8 2HG LYS 1 1HG LYS 1 2.247 -19.686 6.839 9 1HD LYS 1 2HD LYS 1 -0.071 -18.797 6.377 10 2HD LYS 1 1HD LYS 1 0.690 -17.485 5.481 11 1HE LYS 1 2HE LYS 1 0.924 -20.438 4.872 12 2HE LYS 1 1HE LYS 1 -0.046 -19.269 3.985 13 1HZ LYS 1 1HZ LYS 1 2.932 -19.272 4.177 14 2HZ LYS 1 2HZ LYS 1 2.013 -18.105 3.405 15 3HZ LYS 1 3HZ LYS 1 2.002 -19.690 2.825 16 H ASP 2 H ASP 2 -0.494 -15.871 8.857 17 HA ASP 2 HA ASP 2 -1.577 -15.239 6.296 18 1HB ASP 2 2HB ASP 2 -3.027 -16.081 8.166 19 2HB ASP 2 1HB ASP 2 -2.682 -14.613 9.070 20 H ARG 3 H ARG 3 -2.530 -13.170 5.705 21 HA ARG 3 HA ARG 3 -0.529 -11.259 5.352 22 1HB ARG 3 2HB ARG 3 -3.493 -10.796 5.154 23 2HB ARG 3 1HB ARG 3 -2.210 -10.059 4.211 24 1HG ARG 3 2HG ARG 3 -2.265 -11.687 2.683 25 2HG ARG 3 1HG ARG 3 -2.370 -12.959 3.913 26 1HD ARG 3 2HD ARG 3 -4.640 -11.210 2.950 27 2HD ARG 3 1HD ARG 3 -4.421 -12.930 2.599 28 HE ARG 3 HE ARG 3 -4.567 -13.263 5.086 29 1HH1 ARG 3 1HH1 ARG 3 -6.452 -10.739 3.452 30 2HH1 ARG 3 2HH1 ARG 3 -7.421 -10.411 4.783 31 1HH2 ARG 3 1HH2 ARG 3 -5.844 -12.793 6.919 32 2HH2 ARG 3 2HH2 ARG 3 -7.066 -11.597 6.853 33 HA PRO 4 HA PRO 4 -1.140 -8.842 9.223 34 1HB PRO 4 2HB PRO 4 0.064 -6.769 7.450 35 2HB PRO 4 1HB PRO 4 0.565 -7.265 9.072 36 1HG PRO 4 2HG PRO 4 2.005 -7.958 6.966 37 2HG PRO 4 1HG PRO 4 1.735 -9.111 8.287 38 1HD PRO 4 2HD PRO 4 0.437 -8.971 5.595 39 2HD PRO 4 1HD PRO 4 0.973 -10.391 6.518 40 H SER 5 H SER 5 -2.924 -7.599 9.702 41 HA SER 5 HA SER 5 -4.916 -7.303 7.905 42 1HB SER 5 2HB SER 5 -4.616 -5.910 10.541 43 2HB SER 5 1HB SER 5 -6.132 -6.148 9.662 44 HG SER 5 HG SER 5 -6.156 -8.174 10.188 45 H LEU 6 H LEU 6 -2.264 -5.241 7.865 46 HA LEU 6 HA LEU 6 -3.733 -2.791 7.411 47 1HB LEU 6 2HB LEU 6 -1.734 -1.645 7.363 48 2HB LEU 6 1HB LEU 6 -1.395 -2.937 8.485 49 HG LEU 6 HG LEU 6 -0.489 -2.852 5.598 50 1HD1 LEU 6 1HD1 LEU 6 0.590 -1.146 6.914 51 2HD1 LEU 6 2HD1 LEU 6 1.730 -2.438 6.528 52 3HD1 LEU 6 3HD1 LEU 6 1.020 -2.335 8.142 53 1HD2 LEU 6 1HD2 LEU 6 -0.728 -5.136 6.448 54 2HD2 LEU 6 2HD2 LEU 6 0.292 -4.724 7.826 55 3HD2 LEU 6 3HD2 LEU 6 0.962 -4.708 6.195 56 H CYS 7 H CYS 7 -2.993 -5.429 5.562 57 HA CYS 7 HA CYS 7 -2.548 -4.103 3.077 58 1HB CYS 7 2HB CYS 7 -3.325 -6.957 3.656 59 2HB CYS 7 1HB CYS 7 -2.606 -6.333 2.170 60 H ASP 8 H ASP 8 -5.225 -5.019 4.966 61 HA ASP 8 HA ASP 8 -7.253 -4.789 2.848 62 1HB ASP 8 2HB ASP 8 -7.315 -6.737 4.414 63 2HB ASP 8 1HB ASP 8 -7.491 -5.629 5.765 64 H LEU 9 H LEU 9 -5.751 -2.337 3.790 65 HA LEU 9 HA LEU 9 -7.412 -1.301 5.870 66 1HB LEU 9 2HB LEU 9 -4.831 -1.672 6.229 67 2HB LEU 9 1HB LEU 9 -4.640 -0.441 5.016 68 HG LEU 9 HG LEU 9 -4.286 0.434 7.255 69 1HD1 LEU 9 1HD1 LEU 9 -5.777 2.339 7.250 70 2HD1 LEU 9 2HD1 LEU 9 -6.799 1.542 6.057 71 3HD1 LEU 9 3HD1 LEU 9 -5.142 1.990 5.645 72 1HD2 LEU 9 1HD2 LEU 9 -7.122 -0.395 7.799 73 2HD2 LEU 9 2HD2 LEU 9 -6.123 0.588 8.868 74 3HD2 LEU 9 3HD2 LEU 9 -5.664 -1.081 8.516 75 HA PRO 10 HA PRO 10 -9.031 0.714 2.272 76 1HB PRO 10 2HB PRO 10 -9.115 3.128 3.740 77 2HB PRO 10 1HB PRO 10 -10.456 2.046 3.383 78 1HG PRO 10 2HG PRO 10 -8.852 2.314 5.848 79 2HG PRO 10 1HG PRO 10 -10.507 1.713 5.645 80 1HD PRO 10 2HD PRO 10 -8.477 0.079 6.189 81 2HD PRO 10 1HD PRO 10 -9.796 -0.414 5.101 82 H ALA 11 H ALA 11 -8.221 1.813 0.903 83 HA ALA 11 HA ALA 11 -5.616 3.243 0.910 84 1HB ALA 11 1HB ALA 11 -7.654 2.577 -1.233 85 2HB ALA 11 2HB ALA 11 -6.131 1.733 -0.980 86 3HB ALA 11 3HB ALA 11 -6.129 3.414 -1.516 87 H ASP 12 H ASP 12 -5.901 5.039 1.846 88 HA ASP 12 HA ASP 12 -8.296 6.463 1.081 89 1HB ASP 12 2HB ASP 12 -8.167 6.087 3.586 90 2HB ASP 12 1HB ASP 12 -6.728 7.112 3.597 91 H SER 13 H SER 13 -7.947 8.754 0.414 92 HA SER 13 HA SER 13 -5.287 8.994 -0.854 93 1HB SER 13 2HB SER 13 -7.887 10.470 -1.297 94 2HB SER 13 1HB SER 13 -6.417 10.590 -2.276 95 HG SER 13 HG SER 13 -6.751 8.165 -2.339 96 H GLY 14 H GLY 14 -7.025 10.313 1.727 97 1HA GLY 14 2HA GLY 14 -5.884 11.435 3.372 98 2HA GLY 14 1HA GLY 14 -4.604 11.786 2.221 99 H SER 15 H SER 15 -5.124 13.794 3.626 100 HA SER 15 HA SER 15 -7.232 15.301 2.289 101 1HB SER 15 2HB SER 15 -6.329 15.522 5.149 102 2HB SER 15 1HB SER 15 -7.649 16.408 4.385 103 HG SER 15 HG SER 15 -8.281 13.982 3.879 104 H GLY 16 H GLY 16 -4.179 15.060 1.766 105 1HA GLY 16 2HA GLY 16 -3.106 17.347 3.084 106 2HA GLY 16 1HA GLY 16 -2.263 16.151 2.129 107 H THR 17 H THR 17 -1.629 18.547 1.965 108 HA THR 17 HA THR 17 -2.703 19.741 -0.560 109 HB THR 17 HB THR 17 -2.480 21.196 1.484 110 HG1 THR 17 1HG THR 17 -1.845 21.693 -0.994 111 1HG2 THR 17 1HG2 THR 17 0.479 20.751 1.030 112 2HG2 THR 17 2HG2 THR 17 -0.444 20.217 2.437 113 3HG2 THR 17 3HG2 THR 17 -0.214 21.937 2.138 114 H LYS 18 H LYS 18 -0.284 17.522 0.141 115 HA LYS 18 HA LYS 18 1.830 18.558 -1.688 116 1HB LYS 18 2HB LYS 18 2.164 18.115 0.840 117 2HB LYS 18 1HB LYS 18 1.694 16.470 0.477 118 1HG LYS 18 2HG LYS 18 4.030 16.473 0.556 119 2HG LYS 18 1HG LYS 18 3.636 16.432 -1.163 120 1HD LYS 18 2HD LYS 18 5.451 18.017 -0.698 121 2HD LYS 18 1HD LYS 18 4.018 18.851 -1.303 122 1HE LYS 18 2HE LYS 18 5.072 20.043 0.602 123 2HE LYS 18 1HE LYS 18 3.418 19.546 0.946 124 1HZ LYS 18 1HZ LYS 18 4.264 17.691 2.239 125 2HZ LYS 18 2HZ LYS 18 4.943 19.087 2.836 126 3HZ LYS 18 3HZ LYS 18 5.837 18.058 1.822 127 H ALA 19 H ALA 19 2.699 17.002 -2.975 128 HA ALA 19 HA ALA 19 0.966 14.676 -3.628 129 1HB ALA 19 1HB ALA 19 1.053 16.391 -5.439 130 2HB ALA 19 2HB ALA 19 1.801 14.865 -5.909 131 3HB ALA 19 3HB ALA 19 2.809 16.240 -5.451 132 H GLU 20 H GLU 20 1.792 12.801 -3.117 133 HA GLU 20 HA GLU 20 4.633 12.535 -3.316 134 1HB GLU 20 2HB GLU 20 4.160 13.213 -1.033 135 2HB GLU 20 1HB GLU 20 3.057 11.863 -0.839 136 1HG GLU 20 2HG GLU 20 4.884 10.302 -1.043 137 2HG GLU 20 1HG GLU 20 6.010 11.632 -1.337 138 H LYS 21 H LYS 21 5.218 10.461 -3.867 139 HA LYS 21 HA LYS 21 3.116 8.636 -4.916 140 1HB LYS 21 2HB LYS 21 4.932 9.566 -6.388 141 2HB LYS 21 1HB LYS 21 6.115 8.887 -5.299 142 1HG LYS 21 2HG LYS 21 4.142 7.226 -6.876 143 2HG LYS 21 1HG LYS 21 5.735 7.668 -7.475 144 1HD LYS 21 2HD LYS 21 6.683 6.530 -5.417 145 2HD LYS 21 1HD LYS 21 5.055 5.919 -5.115 146 1HE LYS 21 2HE LYS 21 6.259 4.223 -6.275 147 2HE LYS 21 1HE LYS 21 5.109 4.914 -7.416 148 1HZ LYS 21 1HZ LYS 21 8.004 5.485 -7.234 149 2HZ LYS 21 2HZ LYS 21 6.965 6.314 -8.283 150 3HZ LYS 21 3HZ LYS 21 7.225 4.664 -8.485 151 H ARG 22 H ARG 22 2.345 7.202 -3.387 152 HA ARG 22 HA ARG 22 4.445 5.809 -2.023 153 1HB ARG 22 2HB ARG 22 1.624 6.519 -1.382 154 2HB ARG 22 1HB ARG 22 2.597 5.396 -0.456 155 1HG ARG 22 2HG ARG 22 3.331 8.264 -0.933 156 2HG ARG 22 1HG ARG 22 2.435 7.686 0.473 157 1HD ARG 22 2HD ARG 22 4.349 6.092 0.859 158 2HD ARG 22 1HD ARG 22 5.241 7.022 -0.349 159 HE ARG 22 HE ARG 22 4.751 8.997 1.138 160 1HH1 ARG 22 1HH1 ARG 22 4.968 5.751 2.449 161 2HH1 ARG 22 2HH1 ARG 22 5.538 6.241 3.978 162 1HH2 ARG 22 1HH2 ARG 22 5.390 9.702 3.123 163 2HH2 ARG 22 2HH2 ARG 22 5.814 8.645 4.403 164 H ILE 23 H ILE 23 3.369 3.458 -1.337 165 HA ILE 23 HA ILE 23 1.599 2.639 -3.531 166 HB ILE 23 HB ILE 23 3.963 2.049 -4.195 167 1HG1 ILE 23 2HG1 ILE 23 2.382 -0.447 -3.574 168 2HG1 ILE 23 1HG1 ILE 23 2.036 0.631 -4.921 169 1HG2 ILE 23 1HG2 ILE 23 5.161 0.287 -3.041 170 2HG2 ILE 23 2HG2 ILE 23 3.892 0.184 -1.848 171 3HG2 ILE 23 3HG2 ILE 23 4.897 1.651 -1.935 172 1HD1 ILE 23 1HD1 ILE 23 4.247 0.181 -5.852 173 2HD1 ILE 23 2HD1 ILE 23 3.321 -1.306 -5.633 174 3HD1 ILE 23 3HD1 ILE 23 4.604 -0.890 -4.497 175 H TYR 24 H TYR 24 0.138 0.922 -2.966 176 HA TYR 24 HA TYR 24 0.415 -0.056 -0.210 177 1HB TYR 24 2HB TYR 24 -1.939 0.276 0.276 178 2HB TYR 24 1HB TYR 24 -1.263 1.816 -0.206 179 HD1 TYR 24 1HD TYR 24 -3.517 -0.920 -1.157 180 HD2 TYR 24 2HD TYR 24 -2.135 2.945 -2.187 181 HE1 TYR 24 1HE TYR 24 -5.406 -0.681 -2.693 182 HE2 TYR 24 2HE TYR 24 -4.037 3.189 -3.748 183 HH TYR 24 HH TYR 24 -5.599 1.907 -4.957 184 H TYR 25 H TYR 25 -1.162 -2.092 0.126 185 HA TYR 25 HA TYR 25 -0.824 -3.701 -2.060 186 1HB TYR 25 2HB TYR 25 -0.504 -4.527 0.092 187 2HB TYR 25 1HB TYR 25 -2.099 -4.008 0.624 188 HD1 TYR 25 1HD TYR 25 -0.439 -6.352 -1.781 189 HD2 TYR 25 2HD TYR 25 -3.863 -5.510 0.586 190 HE1 TYR 25 1HE TYR 25 -1.339 -8.593 -2.271 191 HE2 TYR 25 2HE TYR 25 -4.764 -7.729 0.103 192 HH TYR 25 HH TYR 25 -2.897 -10.177 -1.207 193 H ASN 26 H ASN 26 -2.499 -3.488 -3.767 194 HA ASN 26 HA ASN 26 -5.247 -2.883 -2.989 195 1HB ASN 26 2HB ASN 26 -4.284 -2.234 -5.256 196 2HB ASN 26 1HB ASN 26 -4.270 -3.957 -5.638 197 1HD2 ASN 26 1HD2 ASN 26 -6.249 -1.165 -5.091 198 2HD2 ASN 26 2HD2 ASN 26 -7.735 -1.853 -5.594 199 H SER 27 H SER 27 -6.590 -4.098 -2.405 200 HA SER 27 HA SER 27 -5.747 -6.651 -1.783 201 1HB SER 27 2HB SER 27 -8.456 -5.471 -1.179 202 2HB SER 27 1HB SER 27 -7.943 -7.042 -0.576 203 HG SER 27 HG SER 27 -6.133 -4.994 -0.122 204 H ALA 28 H ALA 28 -8.132 -5.519 -4.045 205 HA ALA 28 HA ALA 28 -9.405 -8.018 -4.599 206 1HB ALA 28 1HB ALA 28 -9.362 -5.438 -6.152 207 2HB ALA 28 2HB ALA 28 -10.552 -5.910 -4.941 208 3HB ALA 28 3HB ALA 28 -10.442 -6.797 -6.458 209 H ARG 29 H ARG 29 -6.973 -6.016 -6.010 210 HA ARG 29 HA ARG 29 -6.509 -7.868 -8.193 211 1HB ARG 29 2HB ARG 29 -5.159 -5.226 -7.608 212 2HB ARG 29 1HB ARG 29 -4.536 -6.308 -8.842 213 1HG ARG 29 2HG ARG 29 -5.903 -4.681 -9.933 214 2HG ARG 29 1HG ARG 29 -6.770 -6.210 -9.965 215 1HD ARG 29 2HD ARG 29 -8.019 -5.404 -7.922 216 2HD ARG 29 1HD ARG 29 -7.283 -3.829 -8.189 217 HE ARG 29 HE ARG 29 -8.670 -4.914 -10.463 218 1HH1 ARG 29 1HH1 ARG 29 -8.921 -2.770 -7.645 219 2HH1 ARG 29 2HH1 ARG 29 -10.411 -2.094 -8.122 220 1HH2 ARG 29 1HH2 ARG 29 -10.685 -3.998 -11.083 221 2HH2 ARG 29 2HH2 ARG 29 -11.457 -2.806 -10.153 222 H LYS 30 H LYS 30 -5.595 -7.719 -5.129 223 HA LYS 30 HA LYS 30 -3.939 -8.516 -3.734 224 1HB LYS 30 2HB LYS 30 -5.110 -10.560 -4.563 225 2HB LYS 30 1HB LYS 30 -3.938 -10.697 -5.858 226 1HG LYS 30 2HG LYS 30 -2.191 -11.229 -4.284 227 2HG LYS 30 1HG LYS 30 -3.267 -10.904 -2.922 228 1HD LYS 30 2HD LYS 30 -4.717 -12.746 -3.662 229 2HD LYS 30 1HD LYS 30 -3.594 -13.080 -4.981 230 1HE LYS 30 2HE LYS 30 -1.836 -13.594 -3.383 231 2HE LYS 30 1HE LYS 30 -2.909 -13.190 -2.045 232 1HZ LYS 30 1HZ LYS 30 -2.760 -15.602 -2.437 233 2HZ LYS 30 2HZ LYS 30 -3.422 -15.382 -3.993 234 3HZ LYS 30 3HZ LYS 30 -4.326 -15.006 -2.626 235 H GLN 31 H GLN 31 -3.118 -6.879 -5.320 236 HA GLN 31 HA GLN 31 -0.060 -7.058 -5.644 237 1HB GLN 31 2HB GLN 31 0.035 -6.358 -7.875 238 2HB GLN 31 1HB GLN 31 -1.089 -7.704 -7.837 239 1HG GLN 31 2HG GLN 31 -2.949 -6.048 -7.857 240 2HG GLN 31 1HG GLN 31 -1.740 -4.784 -8.078 241 1HE2 GLN 31 1HE2 GLN 31 -0.519 -4.772 -10.024 242 2HE2 GLN 31 2HE2 GLN 31 -1.146 -5.556 -11.437 243 H CYS 32 H CYS 32 1.310 -5.243 -5.445 244 HA CYS 32 HA CYS 32 0.127 -3.315 -3.891 245 1HB CYS 32 2HB CYS 32 2.780 -3.678 -5.227 246 2HB CYS 32 1HB CYS 32 2.387 -2.414 -4.086 247 H LEU 33 H LEU 33 -0.383 -1.225 -4.665 248 HA LEU 33 HA LEU 33 0.656 -0.294 -7.204 249 1HB LEU 33 2HB LEU 33 -1.539 0.323 -8.100 250 2HB LEU 33 1HB LEU 33 -1.321 -1.403 -8.040 251 HG LEU 33 HG LEU 33 -2.809 -1.385 -5.981 252 1HD1 LEU 33 1HD1 LEU 33 -4.276 0.523 -5.687 253 2HD1 LEU 33 2HD1 LEU 33 -3.411 1.411 -6.936 254 3HD1 LEU 33 3HD1 LEU 33 -2.607 0.990 -5.427 255 1HD2 LEU 33 1HD2 LEU 33 -3.572 -2.112 -8.154 256 2HD2 LEU 33 2HD2 LEU 33 -3.913 -0.444 -8.613 257 3HD2 LEU 33 3HD2 LEU 33 -4.840 -1.211 -7.323 258 H ARG 34 H ARG 34 0.696 1.616 -7.585 259 HA ARG 34 HA ARG 34 1.278 3.210 -5.289 260 1HB ARG 34 2HB ARG 34 2.671 3.081 -7.313 261 2HB ARG 34 1HB ARG 34 1.372 3.758 -8.257 262 1HG ARG 34 2HG ARG 34 2.623 5.288 -5.985 263 2HG ARG 34 1HG ARG 34 3.343 5.253 -7.587 264 1HD ARG 34 2HD ARG 34 0.583 6.231 -6.889 265 2HD ARG 34 1HD ARG 34 1.968 7.237 -7.266 266 HE ARG 34 HE ARG 34 1.962 6.016 -9.486 267 1HH1 ARG 34 1HH1 ARG 34 -0.953 6.647 -7.648 268 2HH1 ARG 34 2HH1 ARG 34 -2.026 6.671 -8.956 269 1HH2 ARG 34 1HH2 ARG 34 0.555 6.123 -11.365 270 2HH2 ARG 34 2HH2 ARG 34 -1.136 6.320 -11.171 271 H PHE 35 H PHE 35 0.352 4.965 -4.702 272 HA PHE 35 HA PHE 35 -2.025 5.379 -5.948 273 1HB PHE 35 2HB PHE 35 -3.364 5.994 -3.817 274 2HB PHE 35 1HB PHE 35 -2.749 4.373 -4.022 275 HD1 PHE 35 1HD PHE 35 -0.379 3.965 -2.788 276 HD2 PHE 35 2HD PHE 35 -3.196 6.986 -1.782 277 HE1 PHE 35 1HE PHE 35 0.499 4.022 -0.496 278 HE2 PHE 35 2HE PHE 35 -2.310 7.058 0.501 279 HZ PHE 35 HZ PHE 35 -0.461 5.570 1.152 280 H ASP 36 H ASP 36 -2.847 8.143 -5.119 281 HA ASP 36 HA ASP 36 -0.352 9.439 -4.888 282 1HB ASP 36 2HB ASP 36 -2.873 10.148 -6.230 283 2HB ASP 36 1HB ASP 36 -2.103 11.484 -5.379 284 H TYR 37 H TYR 37 -0.027 9.224 -2.832 285 HA TYR 37 HA TYR 37 -1.886 9.965 -0.756 286 1HB TYR 37 2HB TYR 37 -0.161 8.185 -0.614 287 2HB TYR 37 1HB TYR 37 1.082 9.374 -0.855 288 HD1 TYR 37 1HD TYR 37 -1.813 8.822 1.495 289 HD2 TYR 37 2HD TYR 37 2.247 10.008 1.051 290 HE1 TYR 37 1HE TYR 37 -1.616 9.045 3.940 291 HE2 TYR 37 2HE TYR 37 2.449 10.245 3.483 292 HH TYR 37 HH TYR 37 1.154 10.511 5.432 293 H THR 38 H THR 38 -2.077 12.115 0.117 294 HA THR 38 HA THR 38 -0.625 13.954 -1.439 295 HB THR 38 HB THR 38 -2.475 15.467 -0.493 296 HG1 THR 38 1HG THR 38 -3.955 13.163 -0.012 297 1HG2 THR 38 1HG2 THR 38 -2.534 14.506 -2.760 298 2HG2 THR 38 2HG2 THR 38 -4.144 14.514 -2.039 299 3HG2 THR 38 3HG2 THR 38 -3.211 13.016 -2.109 300 H GLY 39 H GLY 39 0.701 12.734 0.692 301 1HA GLY 39 2HA GLY 39 2.086 13.148 2.429 302 2HA GLY 39 1HA GLY 39 1.818 14.828 2.059 303 H GLN 40 H GLN 40 -1.274 14.347 3.068 304 HA GLN 40 HA GLN 40 -0.396 14.146 5.756 305 1HB GLN 40 2HB GLN 40 -0.398 16.515 5.254 306 2HB GLN 40 1HB GLN 40 -2.052 16.419 4.662 307 1HG GLN 40 2HG GLN 40 -2.820 15.826 6.892 308 2HG GLN 40 1HG GLN 40 -1.165 15.903 7.488 309 1HE2 GLN 40 1HE2 GLN 40 -3.559 17.355 8.195 310 2HE2 GLN 40 2HE2 GLN 40 -3.197 19.039 8.061 311 H GLY 41 H GLY 41 -2.094 12.922 6.985 312 1HA GLY 41 2HA GLY 41 -4.324 12.653 7.522 313 2HA GLY 41 1HA GLY 41 -4.755 13.521 6.068 314 H GLY 42 H GLY 42 -2.883 10.478 6.419 315 1HA GLY 42 2HA GLY 42 -4.727 9.485 4.367 316 2HA GLY 42 1HA GLY 42 -3.048 9.012 4.533 317 H ASN 43 H ASN 43 -3.453 6.899 4.518 318 HA ASN 43 HA ASN 43 -5.015 5.547 6.605 319 1HB ASN 43 2HB ASN 43 -5.270 3.877 4.873 320 2HB ASN 43 1HB ASN 43 -5.906 5.379 4.226 321 1HD2 ASN 43 1HD2 ASN 43 -4.890 3.022 2.836 322 2HD2 ASN 43 2HD2 ASN 43 -3.536 3.557 1.876 323 H GLU 44 H GLU 44 -4.021 3.655 7.248 324 HA GLU 44 HA GLU 44 -1.262 3.996 7.760 325 1HB GLU 44 2HB GLU 44 -3.191 1.781 8.379 326 2HB GLU 44 1HB GLU 44 -1.586 1.995 9.074 327 1HG GLU 44 2HG GLU 44 -3.918 3.866 9.385 328 2HG GLU 44 1HG GLU 44 -3.274 2.771 10.608 329 H ASN 45 H ASN 45 -3.112 2.272 5.389 330 HA ASN 45 HA ASN 45 -0.975 0.435 4.622 331 1HB ASN 45 2HB ASN 45 -3.421 -0.172 4.369 332 2HB ASN 45 1HB ASN 45 -3.626 1.206 3.312 333 1HD2 ASN 45 1HD2 ASN 45 -4.518 -0.357 1.887 334 2HD2 ASN 45 2HD2 ASN 45 -3.504 -1.324 0.879 335 H ASN 46 H ASN 46 0.593 1.837 4.506 336 HA ASN 46 HA ASN 46 0.712 3.463 2.110 337 1HB ASN 46 2HB ASN 46 -0.024 4.963 3.881 338 2HB ASN 46 1HB ASN 46 1.268 4.396 4.932 339 1HD2 ASN 46 1HD2 ASN 46 2.044 6.471 5.182 340 2HD2 ASN 46 2HD2 ASN 46 2.890 7.305 3.924 341 H PHE 47 H PHE 47 2.505 2.699 1.086 342 HA PHE 47 HA PHE 47 4.788 2.106 2.781 343 1HB PHE 47 2HB PHE 47 4.023 0.679 0.216 344 2HB PHE 47 1HB PHE 47 5.457 0.333 1.184 345 HD1 PHE 47 1HD PHE 47 2.049 -0.467 0.636 346 HD2 PHE 47 2HD PHE 47 5.034 -0.295 3.659 347 HE1 PHE 47 1HE PHE 47 0.707 -1.968 2.039 348 HE2 PHE 47 2HE PHE 47 3.699 -1.801 5.062 349 HZ PHE 47 HZ PHE 47 1.529 -2.637 4.253 350 H ARG 48 H ARG 48 6.807 2.774 1.860 351 HA ARG 48 HA ARG 48 6.635 4.881 -0.236 352 1HB ARG 48 2HB ARG 48 7.659 5.408 1.998 353 2HB ARG 48 1HB ARG 48 8.883 4.195 1.662 354 1HG ARG 48 2HG ARG 48 9.981 6.114 1.018 355 2HG ARG 48 1HG ARG 48 9.272 5.610 -0.513 356 1HD ARG 48 2HD ARG 48 8.867 7.975 -0.308 357 2HD ARG 48 1HD ARG 48 7.336 7.195 0.011 358 HE ARG 48 HE ARG 48 8.116 7.339 2.454 359 1HH1 ARG 48 1HH1 ARG 48 8.643 9.853 -0.014 360 2HH1 ARG 48 2HH1 ARG 48 8.766 11.103 1.150 361 1HH2 ARG 48 1HH2 ARG 48 8.311 9.030 3.966 362 2HH2 ARG 48 2HH2 ARG 48 8.648 10.626 3.478 363 H ARG 49 H ARG 49 7.504 1.508 0.124 364 HA ARG 49 HA ARG 49 9.117 1.787 -2.213 365 1HB ARG 49 2HB ARG 49 10.549 1.872 -0.210 366 2HB ARG 49 1HB ARG 49 9.872 0.358 0.342 367 1HG ARG 49 2HG ARG 49 10.834 -0.737 -1.657 368 2HG ARG 49 1HG ARG 49 11.609 0.797 -2.067 369 1HD ARG 49 2HD ARG 49 12.015 -0.795 0.461 370 2HD ARG 49 1HD ARG 49 13.153 -0.653 -0.875 371 HE ARG 49 HE ARG 49 13.357 1.727 -0.297 372 1HH1 ARG 49 1HH1 ARG 49 11.727 -0.230 2.171 373 2HH1 ARG 49 2HH1 ARG 49 12.497 0.489 3.494 374 1HH2 ARG 49 1HH2 ARG 49 14.400 2.815 1.585 375 2HH2 ARG 49 2HH2 ARG 49 14.015 2.229 3.150 376 H THR 50 H THR 50 9.111 -0.229 -3.388 377 HA THR 50 HA THR 50 6.650 -1.624 -3.271 378 HB THR 50 HB THR 50 9.028 -2.197 -5.058 379 HG1 THR 50 1HG THR 50 8.452 0.000 -5.167 380 1HG2 THR 50 1HG2 THR 50 6.047 -2.605 -5.449 381 2HG2 THR 50 2HG2 THR 50 7.228 -3.883 -5.143 382 3HG2 THR 50 3HG2 THR 50 7.303 -2.950 -6.640 383 H TYR 51 H TYR 51 9.971 -2.533 -2.461 384 HA TYR 51 HA TYR 51 9.519 -5.271 -2.078 385 1HB TYR 51 2HB TYR 51 11.780 -4.403 -2.138 386 2HB TYR 51 1HB TYR 51 11.484 -3.401 -0.725 387 HD1 TYR 51 1HD TYR 51 11.499 -6.967 -1.783 388 HD2 TYR 51 2HD TYR 51 12.224 -4.167 1.324 389 HE1 TYR 51 1HE TYR 51 12.397 -8.762 -0.385 390 HE2 TYR 51 2HE TYR 51 13.126 -5.963 2.736 391 HH TYR 51 HH TYR 51 13.867 -9.061 1.487 392 H ASP 52 H ASP 52 9.287 -2.498 0.020 393 HA ASP 52 HA ASP 52 8.616 -3.849 2.411 394 1HB ASP 52 2HB ASP 52 7.880 -1.083 1.491 395 2HB ASP 52 1HB ASP 52 7.473 -1.700 3.088 396 H CYS 53 H CYS 53 6.409 -2.584 -0.048 397 HA CYS 53 HA CYS 53 4.090 -3.475 1.309 398 1HB CYS 53 2HB CYS 53 2.862 -3.112 -0.648 399 2HB CYS 53 1HB CYS 53 4.128 -1.904 -0.643 400 H GLN 54 H GLN 54 5.828 -4.780 -1.111 401 HA GLN 54 HA GLN 54 4.741 -7.316 -1.591 402 1HB GLN 54 2HB GLN 54 6.342 -6.507 -3.182 403 2HB GLN 54 1HB GLN 54 7.664 -6.722 -2.038 404 1HG GLN 54 2HG GLN 54 7.428 -9.100 -2.139 405 2HG GLN 54 1HG GLN 54 5.969 -8.955 -3.113 406 1HE2 GLN 54 1HE2 GLN 54 8.806 -6.939 -3.672 407 2HE2 GLN 54 2HE2 GLN 54 9.226 -7.698 -5.161 408 H ARG 55 H ARG 55 7.354 -6.704 0.504 409 HA ARG 55 HA ARG 55 7.653 -9.366 1.637 410 1HB ARG 55 2HB ARG 55 9.430 -7.630 1.797 411 2HB ARG 55 1HB ARG 55 8.348 -6.630 2.747 412 1HG ARG 55 2HG ARG 55 8.367 -8.343 4.511 413 2HG ARG 55 1HG ARG 55 9.525 -9.272 3.549 414 1HD ARG 55 2HD ARG 55 11.082 -7.406 3.591 415 2HD ARG 55 1HD ARG 55 9.938 -6.449 4.512 416 HE ARG 55 HE ARG 55 10.666 -8.964 5.720 417 1HH1 ARG 55 1HH1 ARG 55 11.252 -5.477 5.605 418 2HH1 ARG 55 2HH1 ARG 55 12.170 -5.434 7.040 419 1HH2 ARG 55 1HH2 ARG 55 11.986 -8.916 7.700 420 2HH2 ARG 55 2HH2 ARG 55 12.605 -7.415 8.218 421 H THR 56 H THR 56 5.740 -6.414 2.794 422 HA THR 56 HA THR 56 4.944 -8.082 4.817 423 HB THR 56 HB THR 56 5.133 -5.710 5.243 424 HG1 THR 56 1HG THR 56 2.367 -6.215 5.539 425 1HG2 THR 56 1HG2 THR 56 2.730 -5.380 3.450 426 2HG2 THR 56 2HG2 THR 56 4.369 -4.830 3.102 427 3HG2 THR 56 3HG2 THR 56 3.462 -4.115 4.432 428 H CYS 57 H CYS 57 3.151 -7.144 1.821 429 HA CYS 57 HA CYS 57 0.746 -8.503 2.774 430 1HB CYS 57 2HB CYS 57 1.066 -6.518 0.520 431 2HB CYS 57 1HB CYS 57 -0.414 -7.281 1.051 432 H LEU 58 H LEU 58 2.999 -9.855 1.188 433 HA LEU 58 HA LEU 58 1.543 -10.376 -1.218 434 1HB LEU 58 2HB LEU 58 2.949 -8.399 -1.957 435 2HB LEU 58 1HB LEU 58 4.374 -9.322 -1.587 436 HG LEU 58 HG LEU 58 3.917 -9.088 -3.994 437 1HD1 LEU 58 1HD1 LEU 58 3.827 -11.934 -3.049 438 2HD1 LEU 58 2HD1 LEU 58 5.266 -10.948 -3.304 439 3HD1 LEU 58 3HD1 LEU 58 4.256 -11.400 -4.675 440 1HD2 LEU 58 1HD2 LEU 58 2.098 -10.365 -5.033 441 2HD2 LEU 58 2HD2 LEU 58 1.512 -9.080 -3.977 442 3HD2 LEU 58 3HD2 LEU 58 1.483 -10.759 -3.427 443 H TYR 59 H TYR 59 4.346 -10.896 0.705 444 HA TYR 59 HA TYR 59 4.275 -13.716 0.000 445 1HB TYR 59 2HB TYR 59 6.202 -12.162 1.741 446 2HB TYR 59 1HB TYR 59 6.293 -13.894 1.449 447 HD1 TYR 59 1HD TYR 59 7.717 -10.906 0.576 448 HD2 TYR 59 2HD TYR 59 6.125 -14.407 -1.244 449 HE1 TYR 59 1HE TYR 59 9.091 -10.490 -1.424 450 HE2 TYR 59 2HE TYR 59 7.492 -13.998 -3.247 451 HH TYR 59 HH TYR 59 10.035 -11.813 -3.246 452 H THR 60 H THR 60 2.409 -14.544 0.971 453 HA THR 60 HA THR 60 2.370 -14.151 3.783 454 HB THR 60 HB THR 60 0.493 -12.905 2.935 455 HG1 THR 60 1HG THR 60 0.163 -14.781 4.612 456 1HG2 THR 60 1HG2 THR 60 -1.260 -13.857 1.473 457 2HG2 THR 60 2HG2 THR 60 -0.313 -15.337 1.325 458 3HG2 THR 60 3HG2 THR 60 0.314 -13.823 0.675 Start of MODEL 10 1 1H LYS 1 1HT LYS 1 -3.450 -16.275 10.471 2 2H LYS 1 2HT LYS 1 -3.871 -17.189 9.117 3 3H LYS 1 3HT LYS 1 -5.071 -16.436 10.011 4 HA LYS 1 HA LYS 1 -4.296 -14.278 9.397 5 1HB LYS 1 2HB LYS 1 -2.097 -15.816 8.117 6 2HB LYS 1 1HB LYS 1 -2.623 -14.284 7.422 7 1HG LYS 1 2HG LYS 1 -1.627 -14.734 10.233 8 2HG LYS 1 1HG LYS 1 -0.784 -13.885 8.928 9 1HD LYS 1 2HD LYS 1 -2.587 -12.222 8.844 10 2HD LYS 1 1HD LYS 1 -3.426 -13.062 10.147 11 1HE LYS 1 2HE LYS 1 -1.452 -12.627 11.600 12 2HE LYS 1 1HE LYS 1 -0.758 -11.669 10.291 13 1HZ LYS 1 1HZ LYS 1 -2.747 -10.227 10.405 14 2HZ LYS 1 2HZ LYS 1 -1.887 -10.222 11.845 15 3HZ LYS 1 3HZ LYS 1 -3.315 -11.113 11.709 16 H ASP 2 H ASP 2 -5.891 -13.661 8.514 17 HA ASP 2 HA ASP 2 -6.658 -14.562 5.818 18 1HB ASP 2 2HB ASP 2 -8.291 -15.381 7.455 19 2HB ASP 2 1HB ASP 2 -8.454 -13.760 8.119 20 H ARG 3 H ARG 3 -5.840 -12.829 4.734 21 HA ARG 3 HA ARG 3 -5.402 -10.802 3.987 22 1HB ARG 3 2HB ARG 3 -7.571 -9.870 5.886 23 2HB ARG 3 1HB ARG 3 -6.617 -8.731 4.954 24 1HG ARG 3 2HG ARG 3 -8.530 -8.975 3.697 25 2HG ARG 3 1HG ARG 3 -7.402 -10.079 2.917 26 1HD ARG 3 2HD ARG 3 -9.552 -11.130 3.092 27 2HD ARG 3 1HD ARG 3 -8.432 -11.936 4.190 28 HE ARG 3 HE ARG 3 -9.717 -11.332 5.915 29 1HH1 ARG 3 1HH1 ARG 3 -10.724 -9.338 3.124 30 2HH1 ARG 3 2HH1 ARG 3 -11.909 -8.471 3.966 31 1HH2 ARG 3 1HH2 ARG 3 -11.379 -10.131 7.084 32 2HH2 ARG 3 2HH2 ARG 3 -12.314 -8.964 6.265 33 HA PRO 4 HA PRO 4 -1.891 -9.952 6.262 34 1HB PRO 4 2HB PRO 4 -2.056 -7.282 4.896 35 2HB PRO 4 1HB PRO 4 -0.668 -8.375 5.044 36 1HG PRO 4 2HG PRO 4 -2.031 -8.256 2.794 37 2HG PRO 4 1HG PRO 4 -1.521 -9.837 3.437 38 1HD PRO 4 2HD PRO 4 -4.223 -8.554 3.489 39 2HD PRO 4 1HD PRO 4 -3.789 -10.254 3.236 40 H SER 5 H SER 5 -1.249 -9.069 8.078 41 HA SER 5 HA SER 5 -2.642 -7.844 9.843 42 1HB SER 5 2HB SER 5 0.260 -7.189 9.430 43 2HB SER 5 1HB SER 5 -0.609 -7.100 10.966 44 HG SER 5 HG SER 5 0.378 -9.033 10.904 45 H LEU 6 H LEU 6 -0.472 -6.201 7.587 46 HA LEU 6 HA LEU 6 -1.874 -3.764 8.254 47 1HB LEU 6 2HB LEU 6 0.141 -2.459 7.463 48 2HB LEU 6 1HB LEU 6 0.243 -3.318 8.976 49 HG LEU 6 HG LEU 6 1.537 -5.105 7.737 50 1HD1 LEU 6 1HD1 LEU 6 0.869 -4.554 5.487 51 2HD1 LEU 6 2HD1 LEU 6 2.622 -4.417 5.667 52 3HD1 LEU 6 3HD1 LEU 6 1.619 -2.965 5.637 53 1HD2 LEU 6 1HD2 LEU 6 2.581 -3.484 9.206 54 2HD2 LEU 6 2HD2 LEU 6 2.680 -2.325 7.880 55 3HD2 LEU 6 3HD2 LEU 6 3.612 -3.823 7.818 56 H CYS 7 H CYS 7 -1.819 -5.863 5.913 57 HA CYS 7 HA CYS 7 -2.793 -3.752 4.204 58 1HB CYS 7 2HB CYS 7 -1.299 -6.147 3.127 59 2HB CYS 7 1HB CYS 7 -2.326 -5.161 2.088 60 H ASP 8 H ASP 8 -4.196 -5.060 6.021 61 HA ASP 8 HA ASP 8 -6.637 -5.539 4.428 62 1HB ASP 8 2HB ASP 8 -6.144 -6.996 6.457 63 2HB ASP 8 1HB ASP 8 -6.174 -5.550 7.451 64 H LEU 9 H LEU 9 -5.186 -3.136 4.266 65 HA LEU 9 HA LEU 9 -5.421 -1.267 6.326 66 1HB LEU 9 2HB LEU 9 -4.050 0.023 4.922 67 2HB LEU 9 1HB LEU 9 -3.487 -1.625 4.758 68 HG LEU 9 HG LEU 9 -5.367 -0.402 2.717 69 1HD1 LEU 9 1HD1 LEU 9 -3.453 1.043 2.824 70 2HD1 LEU 9 2HD1 LEU 9 -3.446 0.106 1.331 71 3HD1 LEU 9 3HD1 LEU 9 -2.376 -0.340 2.661 72 1HD2 LEU 9 1HD2 LEU 9 -4.421 -2.066 1.208 73 2HD2 LEU 9 2HD2 LEU 9 -5.106 -2.839 2.637 74 3HD2 LEU 9 3HD2 LEU 9 -3.361 -2.640 2.491 75 HA PRO 10 HA PRO 10 -8.661 0.831 4.215 76 1HB PRO 10 2HB PRO 10 -7.639 3.354 5.310 77 2HB PRO 10 1HB PRO 10 -9.178 2.552 5.634 78 1HG PRO 10 2HG PRO 10 -7.178 2.714 7.466 79 2HG PRO 10 1HG PRO 10 -8.342 1.376 7.412 80 1HD PRO 10 2HD PRO 10 -5.536 1.491 6.397 81 2HD PRO 10 1HD PRO 10 -6.392 0.163 7.214 82 H ALA 11 H ALA 11 -8.167 0.808 2.132 83 HA ALA 11 HA ALA 11 -5.722 2.155 0.906 84 1HB ALA 11 1HB ALA 11 -8.317 0.989 -0.280 85 2HB ALA 11 2HB ALA 11 -6.743 0.192 -0.366 86 3HB ALA 11 3HB ALA 11 -7.015 1.698 -1.237 87 H ASP 12 H ASP 12 -5.700 3.908 1.721 88 HA ASP 12 HA ASP 12 -7.870 5.789 1.138 89 1HB ASP 12 2HB ASP 12 -8.056 5.296 3.537 90 2HB ASP 12 1HB ASP 12 -6.357 5.699 3.753 91 H SER 13 H SER 13 -7.582 7.706 0.410 92 HA SER 13 HA SER 13 -4.895 8.093 -0.769 93 1HB SER 13 2HB SER 13 -6.082 9.601 -2.261 94 2HB SER 13 1HB SER 13 -6.805 7.991 -2.295 95 HG SER 13 HG SER 13 -7.762 10.383 -1.404 96 H GLY 14 H GLY 14 -6.798 9.471 1.708 97 1HA GLY 14 2HA GLY 14 -5.796 10.853 3.301 98 2HA GLY 14 1HA GLY 14 -4.539 11.234 2.141 99 H SER 15 H SER 15 -5.401 13.269 3.529 100 HA SER 15 HA SER 15 -7.590 14.619 2.081 101 1HB SER 15 2HB SER 15 -6.825 14.841 4.994 102 2HB SER 15 1HB SER 15 -8.144 15.679 4.185 103 HG SER 15 HG SER 15 -8.646 13.274 3.593 104 H GLY 16 H GLY 16 -4.545 14.635 1.710 105 1HA GLY 16 2HA GLY 16 -3.637 16.989 3.079 106 2HA GLY 16 1HA GLY 16 -2.688 15.877 2.123 107 H THR 17 H THR 17 -2.107 18.175 1.897 108 HA THR 17 HA THR 17 -3.303 19.550 -0.527 109 HB THR 17 HB THR 17 -2.946 20.877 1.653 110 HG1 THR 17 1HG THR 17 -1.872 22.604 0.477 111 1HG2 THR 17 1HG2 THR 17 -0.657 21.656 2.093 112 2HG2 THR 17 2HG2 THR 17 -0.048 20.578 0.837 113 3HG2 THR 17 3HG2 THR 17 -0.780 19.906 2.296 114 H LYS 18 H LYS 18 -0.792 17.347 0.115 115 HA LYS 18 HA LYS 18 1.211 18.402 -1.775 116 1HB LYS 18 2HB LYS 18 1.809 17.923 0.612 117 2HB LYS 18 1HB LYS 18 1.054 16.356 0.466 118 1HG LYS 18 2HG LYS 18 2.764 15.818 -1.308 119 2HG LYS 18 1HG LYS 18 3.569 17.327 -0.873 120 1HD LYS 18 2HD LYS 18 3.883 16.559 1.394 121 2HD LYS 18 1HD LYS 18 2.947 15.097 1.063 122 1HE LYS 18 2HE LYS 18 4.644 14.449 -0.614 123 2HE LYS 18 1HE LYS 18 5.589 15.868 -0.168 124 1HZ LYS 18 1HZ LYS 18 5.943 14.986 2.011 125 2HZ LYS 18 2HZ LYS 18 6.299 13.747 0.922 126 3HZ LYS 18 3HZ LYS 18 4.856 13.725 1.776 127 H ALA 19 H ALA 19 1.956 16.879 -3.172 128 HA ALA 19 HA ALA 19 0.267 14.483 -3.669 129 1HB ALA 19 1HB ALA 19 0.153 16.119 -5.525 130 2HB ALA 19 2HB ALA 19 0.967 14.632 -6.001 131 3HB ALA 19 3HB ALA 19 1.910 16.079 -5.641 132 H GLU 20 H GLU 20 1.221 12.659 -3.289 133 HA GLU 20 HA GLU 20 4.112 12.620 -3.313 134 1HB GLU 20 2HB GLU 20 3.431 13.186 -1.066 135 2HB GLU 20 1HB GLU 20 2.345 11.805 -1.017 136 1HG GLU 20 2HG GLU 20 4.274 11.305 0.247 137 2HG GLU 20 1HG GLU 20 4.305 10.334 -1.221 138 H LYS 21 H LYS 21 4.860 10.665 -4.094 139 HA LYS 21 HA LYS 21 2.896 8.733 -5.118 140 1HB LYS 21 2HB LYS 21 4.540 9.905 -6.663 141 2HB LYS 21 1HB LYS 21 5.835 9.284 -5.677 142 1HG LYS 21 2HG LYS 21 3.923 7.479 -7.163 143 2HG LYS 21 1HG LYS 21 5.360 8.153 -7.918 144 1HD LYS 21 2HD LYS 21 6.712 7.054 -6.093 145 2HD LYS 21 1HD LYS 21 5.226 6.265 -5.561 146 1HE LYS 21 2HE LYS 21 6.504 4.762 -6.991 147 2HE LYS 21 1HE LYS 21 5.001 5.228 -7.788 148 1HZ LYS 21 1HZ LYS 21 7.669 6.427 -8.323 149 2HZ LYS 21 2HZ LYS 21 6.245 6.836 -9.123 150 3HZ LYS 21 3HZ LYS 21 6.902 5.311 -9.325 151 H ARG 22 H ARG 22 2.327 7.312 -3.569 152 HA ARG 22 HA ARG 22 4.637 6.182 -2.429 153 1HB ARG 22 2HB ARG 22 1.881 6.604 -1.342 154 2HB ARG 22 1HB ARG 22 3.086 5.611 -0.534 155 1HG ARG 22 2HG ARG 22 3.488 8.506 -1.266 156 2HG ARG 22 1HG ARG 22 2.928 7.942 0.309 157 1HD ARG 22 2HD ARG 22 4.984 6.782 0.698 158 2HD ARG 22 1HD ARG 22 5.526 7.079 -0.957 159 HE ARG 22 HE ARG 22 5.661 9.414 -0.403 160 1HH1 ARG 22 1HH1 ARG 22 5.380 7.307 2.453 161 2HH1 ARG 22 2HH1 ARG 22 6.195 8.394 3.481 162 1HH2 ARG 22 1HH2 ARG 22 6.732 10.909 1.026 163 2HH2 ARG 22 2HH2 ARG 22 7.021 10.482 2.629 164 H ILE 23 H ILE 23 3.575 3.652 -1.508 165 HA ILE 23 HA ILE 23 1.743 2.806 -3.597 166 HB ILE 23 HB ILE 23 4.051 2.217 -4.399 167 1HG1 ILE 23 2HG1 ILE 23 2.529 -0.257 -3.586 168 2HG1 ILE 23 1HG1 ILE 23 2.126 0.756 -4.972 169 1HG2 ILE 23 1HG2 ILE 23 4.191 0.518 -1.933 170 2HG2 ILE 23 2HG2 ILE 23 5.210 1.928 -2.285 171 3HG2 ILE 23 3HG2 ILE 23 5.325 0.457 -3.268 172 1HD1 ILE 23 1HD1 ILE 23 3.368 -1.225 -5.650 173 2HD1 ILE 23 2HD1 ILE 23 4.697 -0.765 -4.584 174 3HD1 ILE 23 3HD1 ILE 23 4.290 0.246 -5.975 175 H TYR 24 H TYR 24 0.376 1.064 -2.927 176 HA TYR 24 HA TYR 24 0.910 -0.096 -0.382 177 1HB TYR 24 2HB TYR 24 -1.339 0.313 0.563 178 2HB TYR 24 1HB TYR 24 -0.448 1.792 0.351 179 HD1 TYR 24 1HD TYR 24 -2.540 2.978 0.733 180 HD2 TYR 24 2HD TYR 24 -2.149 0.382 -2.612 181 HE1 TYR 24 1HE TYR 24 -4.541 3.974 -0.261 182 HE2 TYR 24 2HE TYR 24 -4.155 1.386 -3.621 183 HH TYR 24 HH TYR 24 -5.540 4.268 -2.547 184 H TYR 25 H TYR 25 -1.012 -1.885 0.044 185 HA TYR 25 HA TYR 25 -0.671 -3.423 -2.175 186 1HB TYR 25 2HB TYR 25 -0.365 -4.113 0.054 187 2HB TYR 25 1HB TYR 25 -2.048 -3.814 0.431 188 HD1 TYR 25 1HD TYR 25 0.109 -5.844 -1.815 189 HD2 TYR 25 2HD TYR 25 -3.526 -5.600 0.372 190 HE1 TYR 25 1HE TYR 25 -0.312 -8.220 -2.258 191 HE2 TYR 25 2HE TYR 25 -3.962 -7.971 -0.078 192 HH TYR 25 HH TYR 25 -1.557 -10.038 -1.273 193 H ASN 26 H ASN 26 -2.368 -4.035 -3.620 194 HA ASN 26 HA ASN 26 -5.126 -3.188 -3.062 195 1HB ASN 26 2HB ASN 26 -4.168 -2.465 -5.257 196 2HB ASN 26 1HB ASN 26 -3.858 -4.155 -5.643 197 1HD2 ASN 26 1HD2 ASN 26 -6.293 -1.680 -5.313 198 2HD2 ASN 26 2HD2 ASN 26 -7.561 -2.581 -6.041 199 H SER 27 H SER 27 -6.425 -4.510 -2.590 200 HA SER 27 HA SER 27 -5.407 -6.984 -1.863 201 1HB SER 27 2HB SER 27 -8.266 -6.112 -1.429 202 2HB SER 27 1HB SER 27 -7.524 -7.522 -0.670 203 HG SER 27 HG SER 27 -6.485 -6.309 0.643 204 H ALA 28 H ALA 28 -7.771 -6.053 -4.263 205 HA ALA 28 HA ALA 28 -8.858 -8.637 -4.754 206 1HB ALA 28 1HB ALA 28 -9.948 -7.544 -6.658 207 2HB ALA 28 2HB ALA 28 -8.963 -6.108 -6.383 208 3HB ALA 28 3HB ALA 28 -10.131 -6.622 -5.164 209 H ARG 29 H ARG 29 -6.562 -6.556 -6.218 210 HA ARG 29 HA ARG 29 -5.836 -8.427 -8.358 211 1HB ARG 29 2HB ARG 29 -4.627 -5.783 -7.609 212 2HB ARG 29 1HB ARG 29 -3.817 -6.853 -8.726 213 1HG ARG 29 2HG ARG 29 -4.993 -5.131 -9.911 214 2HG ARG 29 1HG ARG 29 -5.746 -6.687 -10.242 215 1HD ARG 29 2HD ARG 29 -7.641 -6.152 -9.046 216 2HD ARG 29 1HD ARG 29 -6.807 -4.932 -8.075 217 HE ARG 29 HE ARG 29 -6.638 -4.049 -10.629 218 1HH1 ARG 29 1HH1 ARG 29 -9.419 -5.056 -8.750 219 2HH1 ARG 29 2HH1 ARG 29 -10.391 -3.698 -9.103 220 1HH2 ARG 29 1HH2 ARG 29 -7.976 -2.244 -11.276 221 2HH2 ARG 29 2HH2 ARG 29 -9.529 -2.047 -10.625 222 H LYS 30 H LYS 30 -5.074 -8.154 -5.184 223 HA LYS 30 HA LYS 30 -3.380 -8.721 -3.759 224 1HB LYS 30 2HB LYS 30 -4.172 -10.959 -4.460 225 2HB LYS 30 1HB LYS 30 -3.086 -10.933 -5.835 226 1HG LYS 30 2HG LYS 30 -1.167 -11.071 -4.350 227 2HG LYS 30 1HG LYS 30 -2.229 -10.990 -2.944 228 1HD LYS 30 2HD LYS 30 -3.198 -13.108 -3.486 229 2HD LYS 30 1HD LYS 30 -2.357 -13.152 -5.038 230 1HE LYS 30 2HE LYS 30 -0.221 -13.275 -3.915 231 2HE LYS 30 1HE LYS 30 -1.006 -13.134 -2.344 232 1HZ LYS 30 1HZ LYS 30 -0.361 -15.422 -3.068 233 2HZ LYS 30 2HZ LYS 30 -1.628 -15.363 -4.208 234 3HZ LYS 30 3HZ LYS 30 -1.946 -15.223 -2.555 235 H GLN 31 H GLN 31 -2.731 -6.912 -5.335 236 HA GLN 31 HA GLN 31 0.311 -6.936 -5.721 237 1HB GLN 31 2HB GLN 31 0.384 -6.208 -7.885 238 2HB GLN 31 1HB GLN 31 -0.911 -7.376 -7.934 239 1HG GLN 31 2HG GLN 31 -2.555 -5.570 -7.933 240 2HG GLN 31 1HG GLN 31 -1.256 -4.380 -7.836 241 1HE2 GLN 31 1HE2 GLN 31 -3.251 -4.607 -9.942 242 2HE2 GLN 31 2HE2 GLN 31 -2.392 -4.946 -11.386 243 H CYS 32 H CYS 32 1.590 -5.051 -5.433 244 HA CYS 32 HA CYS 32 0.206 -3.308 -3.868 245 1HB CYS 32 2HB CYS 32 3.031 -3.634 -4.817 246 2HB CYS 32 1HB CYS 32 2.516 -2.324 -3.767 247 H LEU 33 H LEU 33 -0.243 -1.118 -4.653 248 HA LEU 33 HA LEU 33 0.800 -0.193 -7.212 249 1HB LEU 33 2HB LEU 33 -1.435 0.301 -8.083 250 2HB LEU 33 1HB LEU 33 -1.103 -1.411 -8.007 251 HG LEU 33 HG LEU 33 -2.559 -1.479 -5.925 252 1HD1 LEU 33 1HD1 LEU 33 -2.545 0.899 -5.361 253 2HD1 LEU 33 2HD1 LEU 33 -4.187 0.308 -5.630 254 3HD1 LEU 33 3HD1 LEU 33 -3.383 1.267 -6.870 255 1HD2 LEU 33 1HD2 LEU 33 -4.621 -1.487 -7.232 256 2HD2 LEU 33 2HD2 LEU 33 -3.296 -2.270 -8.091 257 3HD2 LEU 33 3HD2 LEU 33 -3.793 -0.636 -8.537 258 H ARG 34 H ARG 34 0.680 1.703 -7.668 259 HA ARG 34 HA ARG 34 1.103 3.433 -5.458 260 1HB ARG 34 2HB ARG 34 2.525 3.379 -7.475 261 2HB ARG 34 1HB ARG 34 1.178 3.867 -8.459 262 1HG ARG 34 2HG ARG 34 2.465 5.630 -6.363 263 2HG ARG 34 1HG ARG 34 2.947 5.601 -8.048 264 1HD ARG 34 2HD ARG 34 0.363 6.134 -8.414 265 2HD ARG 34 1HD ARG 34 0.506 6.726 -6.754 266 HE ARG 34 HE ARG 34 2.088 7.717 -9.041 267 1HH1 ARG 34 1HH1 ARG 34 0.602 8.373 -5.871 268 2HH1 ARG 34 2HH1 ARG 34 0.935 10.046 -5.958 269 1HH2 ARG 34 1HH2 ARG 34 2.544 9.971 -9.087 270 2HH2 ARG 34 2HH2 ARG 34 2.100 10.979 -7.803 271 H PHE 35 H PHE 35 0.034 5.051 -4.908 272 HA PHE 35 HA PHE 35 -2.379 5.299 -6.117 273 1HB PHE 35 2HB PHE 35 -3.647 5.825 -3.889 274 2HB PHE 35 1HB PHE 35 -2.993 4.221 -4.095 275 HD1 PHE 35 1HD PHE 35 -3.444 6.788 -1.861 276 HD2 PHE 35 2HD PHE 35 -0.438 4.047 -3.116 277 HE1 PHE 35 1HE PHE 35 -2.346 6.991 0.318 278 HE2 PHE 35 2HE PHE 35 0.664 4.256 -0.934 279 HZ PHE 35 HZ PHE 35 -0.294 5.723 0.790 280 H ASP 36 H ASP 36 -3.285 8.009 -5.165 281 HA ASP 36 HA ASP 36 -0.840 9.459 -5.107 282 1HB ASP 36 2HB ASP 36 -3.615 10.198 -5.985 283 2HB ASP 36 1HB ASP 36 -2.458 11.461 -5.599 284 H TYR 37 H TYR 37 -0.392 9.210 -3.011 285 HA TYR 37 HA TYR 37 -2.209 9.853 -0.856 286 1HB TYR 37 2HB TYR 37 -0.429 8.143 -0.727 287 2HB TYR 37 1HB TYR 37 0.776 9.360 -1.045 288 HD1 TYR 37 1HD TYR 37 -1.977 8.612 1.403 289 HD2 TYR 37 2HD TYR 37 1.888 10.297 0.819 290 HE1 TYR 37 1HE TYR 37 -1.779 8.973 3.828 291 HE2 TYR 37 2HE TYR 37 2.093 10.666 3.240 292 HH TYR 37 HH TYR 37 0.751 10.869 5.233 293 H THR 38 H THR 38 -2.495 11.944 -0.008 294 HA THR 38 HA THR 38 -1.024 13.862 -1.441 295 HB THR 38 HB THR 38 -2.934 15.303 -0.450 296 HG1 THR 38 1HG THR 38 -4.451 13.028 -0.331 297 1HG2 THR 38 1HG2 THR 38 -4.453 14.474 -2.206 298 2HG2 THR 38 2HG2 THR 38 -3.473 13.015 -2.358 299 3HG2 THR 38 3HG2 THR 38 -2.793 14.582 -2.794 300 H GLY 39 H GLY 39 0.306 12.668 0.703 301 1HA GLY 39 2HA GLY 39 1.638 13.120 2.467 302 2HA GLY 39 1HA GLY 39 1.365 14.785 2.045 303 H GLN 40 H GLN 40 -1.690 14.330 3.080 304 HA GLN 40 HA GLN 40 -0.851 14.323 5.868 305 1HB GLN 40 2HB GLN 40 -1.033 16.666 5.026 306 2HB GLN 40 1HB GLN 40 -2.712 16.360 4.613 307 1HG GLN 40 2HG GLN 40 -2.684 17.536 6.671 308 2HG GLN 40 1HG GLN 40 -3.124 15.860 7.023 309 1HE2 GLN 40 1HE2 GLN 40 -2.401 16.019 9.151 310 2HE2 GLN 40 2HE2 GLN 40 -0.723 16.051 9.551 311 H GLY 41 H GLY 41 -2.471 12.973 7.095 312 1HA GLY 41 2HA GLY 41 -4.688 12.600 7.588 313 2HA GLY 41 1HA GLY 41 -5.135 13.432 6.112 314 H GLY 42 H GLY 42 -3.083 10.599 6.579 315 1HA GLY 42 2HA GLY 42 -4.844 9.249 4.681 316 2HA GLY 42 1HA GLY 42 -3.093 9.087 4.690 317 H ASN 43 H ASN 43 -3.083 6.872 4.969 318 HA ASN 43 HA ASN 43 -4.285 5.622 7.330 319 1HB ASN 43 2HB ASN 43 -4.201 3.718 5.911 320 2HB ASN 43 1HB ASN 43 -5.075 4.948 5.013 321 1HD2 ASN 43 1HD2 ASN 43 -3.647 2.600 4.081 322 2HD2 ASN 43 2HD2 ASN 43 -2.414 3.165 2.996 323 H GLU 44 H GLU 44 -3.100 3.967 8.014 324 HA GLU 44 HA GLU 44 -0.373 4.672 8.872 325 1HB GLU 44 2HB GLU 44 -2.051 2.233 9.347 326 2HB GLU 44 1HB GLU 44 -0.624 2.750 10.233 327 1HG GLU 44 2HG GLU 44 -3.312 4.105 10.175 328 2HG GLU 44 1HG GLU 44 -2.586 3.230 11.522 329 H ASN 45 H ASN 45 -1.751 2.669 6.435 330 HA ASN 45 HA ASN 45 0.713 1.212 6.146 331 1HB ASN 45 2HB ASN 45 -1.451 0.130 5.701 332 2HB ASN 45 1HB ASN 45 -1.761 1.281 4.407 333 1HD2 ASN 45 1HD2 ASN 45 -0.134 -1.541 5.338 334 2HD2 ASN 45 2HD2 ASN 45 0.546 -1.929 3.793 335 H ASN 46 H ASN 46 2.213 3.643 5.294 336 HA ASN 46 HA ASN 46 1.573 3.511 2.679 337 1HB ASN 46 2HB ASN 46 1.299 5.478 4.136 338 2HB ASN 46 1HB ASN 46 2.995 5.369 4.581 339 1HD2 ASN 46 1HD2 ASN 46 0.722 6.222 2.202 340 2HD2 ASN 46 2HD2 ASN 46 1.813 7.048 1.142 341 H PHE 47 H PHE 47 3.067 2.788 1.240 342 HA PHE 47 HA PHE 47 5.622 2.194 2.347 343 1HB PHE 47 2HB PHE 47 4.359 1.095 -0.152 344 2HB PHE 47 1HB PHE 47 5.936 0.623 0.480 345 HD1 PHE 47 1HD PHE 47 2.616 -0.252 0.354 346 HD2 PHE 47 2HD PHE 47 5.849 0.028 3.077 347 HE1 PHE 47 1HE PHE 47 1.511 -1.870 1.826 348 HE2 PHE 47 2HE PHE 47 4.759 -1.591 4.554 349 HZ PHE 47 HZ PHE 47 2.580 -2.541 3.921 350 H ARG 48 H ARG 48 7.366 3.145 1.414 351 HA ARG 48 HA ARG 48 7.117 5.150 -0.810 352 1HB ARG 48 2HB ARG 48 7.935 5.904 1.430 353 2HB ARG 48 1HB ARG 48 9.285 4.802 1.241 354 1HG ARG 48 2HG ARG 48 9.909 7.099 0.688 355 2HG ARG 48 1HG ARG 48 10.056 6.041 -0.708 356 1HD ARG 48 2HD ARG 48 8.047 6.966 -1.709 357 2HD ARG 48 1HD ARG 48 7.637 7.837 -0.243 358 HE ARG 48 HE ARG 48 10.094 8.725 -0.892 359 1HH1 ARG 48 1HH1 ARG 48 7.110 8.552 -2.872 360 2HH1 ARG 48 2HH1 ARG 48 7.298 10.116 -3.500 361 1HH2 ARG 48 1HH2 ARG 48 10.292 10.904 -1.802 362 2HH2 ARG 48 2HH2 ARG 48 9.130 11.482 -2.888 363 H ARG 49 H ARG 49 8.251 1.855 -0.221 364 HA ARG 49 HA ARG 49 9.655 2.130 -2.672 365 1HB ARG 49 2HB ARG 49 11.313 2.197 -0.902 366 2HB ARG 49 1HB ARG 49 10.617 0.787 -0.133 367 1HG ARG 49 2HG ARG 49 11.406 -0.644 -1.865 368 2HG ARG 49 1HG ARG 49 11.880 0.736 -2.859 369 1HD ARG 49 2HD ARG 49 13.828 -0.270 -1.802 370 2HD ARG 49 1HD ARG 49 13.562 1.358 -1.192 371 HE ARG 49 HE ARG 49 12.708 -1.029 0.305 372 1HH1 ARG 49 1HH1 ARG 49 14.434 2.089 0.211 373 2HH1 ARG 49 2HH1 ARG 49 14.888 2.027 1.850 374 1HH2 ARG 49 1HH2 ARG 49 13.336 -1.074 2.559 375 2HH2 ARG 49 2HH2 ARG 49 14.283 0.192 3.196 376 H THR 50 H THR 50 9.256 0.366 -4.012 377 HA THR 50 HA THR 50 6.902 -1.017 -3.910 378 HB THR 50 HB THR 50 9.286 -1.834 -5.557 379 HG1 THR 50 1HG THR 50 7.488 0.257 -6.265 380 1HG2 THR 50 1HG2 THR 50 7.204 -3.154 -5.817 381 2HG2 THR 50 2HG2 THR 50 7.555 -2.220 -7.269 382 3HG2 THR 50 3HG2 THR 50 6.312 -1.668 -6.144 383 H TYR 51 H TYR 51 10.185 -2.434 -3.522 384 HA TYR 51 HA TYR 51 9.353 -5.048 -3.003 385 1HB TYR 51 2HB TYR 51 11.650 -4.664 -3.582 386 2HB TYR 51 1HB TYR 51 11.895 -3.611 -2.189 387 HD1 TYR 51 1HD TYR 51 13.017 -4.512 -0.402 388 HD2 TYR 51 2HD TYR 51 10.834 -7.122 -2.946 389 HE1 TYR 51 1HE TYR 51 13.776 -6.422 0.926 390 HE2 TYR 51 2HE TYR 51 11.597 -9.048 -1.626 391 HH TYR 51 HH TYR 51 13.330 -9.651 -0.112 392 H ASP 52 H ASP 52 9.652 -2.308 -0.899 393 HA ASP 52 HA ASP 52 9.508 -3.813 1.536 394 1HB ASP 52 2HB ASP 52 10.238 -1.443 1.492 395 2HB ASP 52 1HB ASP 52 8.610 -0.964 1.029 396 H CYS 53 H CYS 53 7.044 -2.345 -0.435 397 HA CYS 53 HA CYS 53 4.713 -3.188 0.987 398 1HB CYS 53 2HB CYS 53 4.694 -1.646 -0.956 399 2HB CYS 53 1HB CYS 53 4.994 -3.024 -2.012 400 H GLN 54 H GLN 54 6.248 -4.505 -1.503 401 HA GLN 54 HA GLN 54 5.112 -7.135 -1.909 402 1HB GLN 54 2HB GLN 54 6.538 -6.331 -3.564 403 2HB GLN 54 1HB GLN 54 7.986 -6.484 -2.528 404 1HG GLN 54 2HG GLN 54 7.471 -8.967 -2.553 405 2HG GLN 54 1HG GLN 54 6.270 -8.619 -3.800 406 1HE2 GLN 54 1HE2 GLN 54 9.607 -8.947 -3.081 407 2HE2 GLN 54 2HE2 GLN 54 10.200 -8.705 -4.676 408 H ARG 55 H ARG 55 7.787 -6.367 0.030 409 HA ARG 55 HA ARG 55 8.181 -9.012 1.030 410 1HB ARG 55 2HB ARG 55 9.996 -7.372 0.973 411 2HB ARG 55 1HB ARG 55 9.122 -6.346 2.092 412 1HG ARG 55 2HG ARG 55 9.430 -7.908 3.864 413 2HG ARG 55 1HG ARG 55 10.106 -9.108 2.753 414 1HD ARG 55 2HD ARG 55 11.965 -7.654 2.262 415 2HD ARG 55 1HD ARG 55 11.285 -6.386 3.262 416 HE ARG 55 HE ARG 55 11.573 -7.897 5.166 417 1HH1 ARG 55 1HH1 ARG 55 13.512 -8.625 2.258 418 2HH1 ARG 55 2HH1 ARG 55 14.858 -9.177 3.132 419 1HH2 ARG 55 1HH2 ARG 55 13.468 -8.650 6.363 420 2HH2 ARG 55 2HH2 ARG 55 14.860 -9.152 5.525 421 H THR 56 H THR 56 6.377 -6.074 2.432 422 HA THR 56 HA THR 56 5.822 -7.853 4.430 423 HB THR 56 HB THR 56 6.104 -5.583 5.036 424 HG1 THR 56 1HG THR 56 4.697 -6.862 6.258 425 1HG2 THR 56 1HG2 THR 56 3.602 -5.008 3.468 426 2HG2 THR 56 2HG2 THR 56 5.237 -4.511 3.045 427 3HG2 THR 56 3HG2 THR 56 4.462 -3.856 4.488 428 H CYS 57 H CYS 57 3.769 -6.771 1.710 429 HA CYS 57 HA CYS 57 1.457 -8.090 2.900 430 1HB CYS 57 2HB CYS 57 1.468 -6.147 0.578 431 2HB CYS 57 1HB CYS 57 0.089 -6.722 1.515 432 H LEU 58 H LEU 58 3.677 -8.513 0.437 433 HA LEU 58 HA LEU 58 1.893 -10.323 -0.992 434 1HB LEU 58 2HB LEU 58 3.075 -8.544 -2.252 435 2HB LEU 58 1HB LEU 58 4.604 -9.228 -1.779 436 HG LEU 58 HG LEU 58 3.894 -9.613 -4.164 437 1HD1 LEU 58 1HD1 LEU 58 4.425 -12.085 -2.548 438 2HD1 LEU 58 2HD1 LEU 58 5.626 -10.991 -3.238 439 3HD1 LEU 58 3HD1 LEU 58 4.584 -11.940 -4.299 440 1HD2 LEU 58 1HD2 LEU 58 1.533 -9.999 -3.796 441 2HD2 LEU 58 2HD2 LEU 58 1.895 -11.480 -2.903 442 3HD2 LEU 58 3HD2 LEU 58 2.264 -11.372 -4.627 443 H TYR 59 H TYR 59 4.579 -10.364 1.200 444 HA TYR 59 HA TYR 59 4.976 -13.162 0.593 445 1HB TYR 59 2HB TYR 59 6.546 -11.312 2.394 446 2HB TYR 59 1HB TYR 59 6.847 -13.038 2.271 447 HD1 TYR 59 1HD TYR 59 8.861 -10.872 1.761 448 HD2 TYR 59 2HD TYR 59 6.204 -12.891 -0.865 449 HE1 TYR 59 1HE TYR 59 10.398 -10.458 -0.106 450 HE2 TYR 59 2HE TYR 59 7.726 -12.481 -2.733 451 HH TYR 59 HH TYR 59 10.866 -11.593 -2.340 452 H THR 60 H THR 60 2.998 -14.074 1.475 453 HA THR 60 HA THR 60 2.853 -14.555 4.107 454 HB THR 60 HB THR 60 2.283 -12.174 4.471 455 HG1 THR 60 1HG THR 60 -0.275 -12.952 4.846 456 1HG2 THR 60 1HG2 THR 60 0.263 -11.139 3.495 457 2HG2 THR 60 2HG2 THR 60 -0.009 -12.591 2.533 458 3HG2 THR 60 3HG2 THR 60 1.416 -11.599 2.239 Start of MODEL 11 1 1H LYS 1 1HT LYS 1 -4.249 -16.747 3.787 2 2H LYS 1 2HT LYS 1 -4.482 -15.161 3.211 3 3H LYS 1 3HT LYS 1 -5.399 -16.423 2.597 4 HA LYS 1 HA LYS 1 -6.667 -15.052 4.157 5 1HB LYS 1 2HB LYS 1 -7.561 -16.880 5.483 6 2HB LYS 1 1HB LYS 1 -7.314 -17.360 3.818 7 1HG LYS 1 2HG LYS 1 -5.348 -18.607 4.424 8 2HG LYS 1 1HG LYS 1 -5.461 -18.031 6.089 9 1HD LYS 1 2HD LYS 1 -7.617 -19.172 6.324 10 2HD LYS 1 1HD LYS 1 -7.486 -19.742 4.659 11 1HE LYS 1 2HE LYS 1 -5.511 -21.015 5.203 12 2HE LYS 1 1HE LYS 1 -5.499 -20.365 6.842 13 1HZ LYS 1 1HZ LYS 1 -7.571 -21.489 7.283 14 2HZ LYS 1 2HZ LYS 1 -6.432 -22.608 6.709 15 3HZ LYS 1 3HZ LYS 1 -7.649 -22.058 5.689 16 H ASP 2 H ASP 2 -3.509 -15.973 5.271 17 HA ASP 2 HA ASP 2 -4.022 -15.284 8.047 18 1HB ASP 2 2HB ASP 2 -2.287 -17.002 7.323 19 2HB ASP 2 1HB ASP 2 -1.383 -15.684 6.598 20 H ARG 3 H ARG 3 -1.876 -13.968 5.710 21 HA ARG 3 HA ARG 3 -1.119 -11.763 5.206 22 1HB ARG 3 2HB ARG 3 -3.718 -10.906 6.431 23 2HB ARG 3 1HB ARG 3 -2.690 -9.964 5.387 24 1HG ARG 3 2HG ARG 3 -3.270 -11.414 3.524 25 2HG ARG 3 1HG ARG 3 -4.290 -12.389 4.607 26 1HD ARG 3 2HD ARG 3 -5.465 -10.279 5.246 27 2HD ARG 3 1HD ARG 3 -4.581 -9.465 3.969 28 HE ARG 3 HE ARG 3 -5.742 -11.262 2.529 29 1HH1 ARG 3 1HH1 ARG 3 -7.094 -9.644 5.382 30 2HH1 ARG 3 2HH1 ARG 3 -8.700 -9.614 4.819 31 1HH2 ARG 3 1HH2 ARG 3 -7.972 -11.195 1.704 32 2HH2 ARG 3 2HH2 ARG 3 -9.204 -10.496 2.627 33 HA PRO 4 HA PRO 4 -0.237 -9.478 9.010 34 1HB PRO 4 2HB PRO 4 0.786 -7.404 7.119 35 2HB PRO 4 1HB PRO 4 1.668 -8.206 8.428 36 1HG PRO 4 2HG PRO 4 2.210 -8.742 5.870 37 2HG PRO 4 1HG PRO 4 2.236 -10.018 7.107 38 1HD PRO 4 2HD PRO 4 0.061 -9.333 5.155 39 2HD PRO 4 1HD PRO 4 0.750 -10.931 5.540 40 H SER 5 H SER 5 -2.044 -8.141 9.684 41 HA SER 5 HA SER 5 -4.174 -7.747 8.093 42 1HB SER 5 2HB SER 5 -5.052 -6.303 9.913 43 2HB SER 5 1HB SER 5 -4.392 -7.858 10.422 44 HG SER 5 HG SER 5 -3.783 -5.565 11.360 45 H LEU 6 H LEU 6 -1.406 -5.664 7.989 46 HA LEU 6 HA LEU 6 -2.937 -3.321 7.329 47 1HB LEU 6 2HB LEU 6 -0.925 -2.086 7.329 48 2HB LEU 6 1HB LEU 6 -0.888 -3.116 8.730 49 HG LEU 6 HG LEU 6 0.674 -3.635 6.186 50 1HD1 LEU 6 1HD1 LEU 6 1.404 -1.580 7.275 51 2HD1 LEU 6 2HD1 LEU 6 2.615 -2.855 7.427 52 3HD1 LEU 6 3HD1 LEU 6 1.589 -2.449 8.800 53 1HD2 LEU 6 1HD2 LEU 6 0.308 -5.666 7.445 54 2HD2 LEU 6 2HD2 LEU 6 0.844 -4.877 8.932 55 3HD2 LEU 6 3HD2 LEU 6 1.982 -5.155 7.617 56 H CYS 7 H CYS 7 -2.934 -5.737 5.612 57 HA CYS 7 HA CYS 7 -2.130 -4.450 3.099 58 1HB CYS 7 2HB CYS 7 -2.890 -7.318 3.694 59 2HB CYS 7 1HB CYS 7 -2.330 -6.703 2.143 60 H ASP 8 H ASP 8 -4.608 -5.254 5.113 61 HA ASP 8 HA ASP 8 -6.798 -5.085 3.188 62 1HB ASP 8 2HB ASP 8 -6.737 -7.020 4.798 63 2HB ASP 8 1HB ASP 8 -6.730 -5.886 6.134 64 H LEU 9 H LEU 9 -5.183 -2.833 3.754 65 HA LEU 9 HA LEU 9 -5.854 -1.522 6.198 66 1HB LEU 9 2HB LEU 9 -3.942 -0.147 5.700 67 2HB LEU 9 1HB LEU 9 -3.499 -1.815 5.496 68 HG LEU 9 HG LEU 9 -2.336 -0.673 3.851 69 1HD1 LEU 9 1HD1 LEU 9 -3.122 -1.292 1.661 70 2HD1 LEU 9 2HD1 LEU 9 -4.678 -1.738 2.369 71 3HD1 LEU 9 3HD1 LEU 9 -3.215 -2.596 2.844 72 1HD2 LEU 9 1HD2 LEU 9 -3.339 1.484 3.939 73 2HD2 LEU 9 2HD2 LEU 9 -4.789 0.901 3.136 74 3HD2 LEU 9 3HD2 LEU 9 -3.260 0.966 2.256 75 HA PRO 10 HA PRO 10 -8.411 1.252 4.301 76 1HB PRO 10 2HB PRO 10 -7.680 3.755 5.240 77 2HB PRO 10 1HB PRO 10 -8.659 2.584 6.130 78 1HG PRO 10 2HG PRO 10 -5.745 3.167 6.339 79 2HG PRO 10 1HG PRO 10 -6.904 2.745 7.615 80 1HD PRO 10 2HD PRO 10 -5.123 0.984 6.544 81 2HD PRO 10 1HD PRO 10 -6.687 0.505 7.237 82 H ALA 11 H ALA 11 -8.102 1.321 2.121 83 HA ALA 11 HA ALA 11 -5.747 2.630 0.786 84 1HB ALA 11 1HB ALA 11 -8.480 1.623 -0.207 85 2HB ALA 11 2HB ALA 11 -6.966 0.748 -0.448 86 3HB ALA 11 3HB ALA 11 -7.221 2.302 -1.241 87 H ASP 12 H ASP 12 -5.582 4.296 1.630 88 HA ASP 12 HA ASP 12 -7.679 6.282 1.229 89 1HB ASP 12 2HB ASP 12 -7.790 5.511 3.591 90 2HB ASP 12 1HB ASP 12 -6.146 6.102 3.811 91 H SER 13 H SER 13 -7.295 8.175 0.502 92 HA SER 13 HA SER 13 -4.523 8.556 -0.500 93 1HB SER 13 2HB SER 13 -7.055 9.940 -1.364 94 2HB SER 13 1HB SER 13 -5.499 9.902 -2.197 95 HG SER 13 HG SER 13 -7.520 8.048 -2.029 96 H GLY 14 H GLY 14 -6.594 9.729 1.871 97 1HA GLY 14 2HA GLY 14 -6.435 11.586 3.244 98 2HA GLY 14 1HA GLY 14 -4.835 11.885 2.559 99 H SER 15 H SER 15 -7.008 14.152 2.967 100 HA SER 15 HA SER 15 -7.017 14.646 0.241 101 1HB SER 15 2HB SER 15 -9.332 14.314 1.202 102 2HB SER 15 1HB SER 15 -8.986 15.576 2.380 103 HG SER 15 HG SER 15 -8.751 16.998 0.614 104 H GLY 16 H GLY 16 -4.685 15.091 1.439 105 1HA GLY 16 2HA GLY 16 -4.489 17.610 2.645 106 2HA GLY 16 1HA GLY 16 -3.200 16.554 2.112 107 H THR 17 H THR 17 -2.466 18.848 1.729 108 HA THR 17 HA THR 17 -3.492 20.030 -0.761 109 HB THR 17 HB THR 17 -1.504 21.177 1.194 110 HG1 THR 17 1HG THR 17 -3.898 22.250 1.559 111 1HG2 THR 17 1HG2 THR 17 -3.457 22.425 -0.757 112 2HG2 THR 17 2HG2 THR 17 -1.716 22.292 -0.998 113 3HG2 THR 17 3HG2 THR 17 -2.357 23.307 0.299 114 H LYS 18 H LYS 18 -0.922 17.861 0.016 115 HA LYS 18 HA LYS 18 1.041 18.913 -1.924 116 1HB LYS 18 2HB LYS 18 1.632 18.746 0.571 117 2HB LYS 18 1HB LYS 18 1.160 17.067 0.488 118 1HG LYS 18 2HG LYS 18 3.487 17.084 0.394 119 2HG LYS 18 1HG LYS 18 2.961 16.797 -1.261 120 1HD LYS 18 2HD LYS 18 3.365 19.119 -1.820 121 2HD LYS 18 1HD LYS 18 3.800 19.466 -0.141 122 1HE LYS 18 2HE LYS 18 5.243 17.597 -2.018 123 2HE LYS 18 1HE LYS 18 5.805 19.182 -1.484 124 1HZ LYS 18 1HZ LYS 18 5.335 16.846 0.299 125 2HZ LYS 18 2HZ LYS 18 5.943 18.353 0.773 126 3HZ LYS 18 3HZ LYS 18 6.848 17.341 -0.229 127 H ALA 19 H ALA 19 1.998 17.139 -3.163 128 HA ALA 19 HA ALA 19 0.273 14.714 -3.321 129 1HB ALA 19 1HB ALA 19 1.878 16.012 -5.545 130 2HB ALA 19 2HB ALA 19 0.121 16.109 -5.383 131 3HB ALA 19 3HB ALA 19 0.893 14.556 -5.687 132 H GLU 20 H GLU 20 1.227 12.767 -3.078 133 HA GLU 20 HA GLU 20 4.156 12.678 -3.079 134 1HB GLU 20 2HB GLU 20 3.358 13.327 -0.828 135 2HB GLU 20 1HB GLU 20 2.446 11.830 -0.745 136 1HG GLU 20 2HG GLU 20 4.513 11.667 0.457 137 2HG GLU 20 1HG GLU 20 4.503 10.568 -0.932 138 H LYS 21 H LYS 21 4.866 10.650 -3.743 139 HA LYS 21 HA LYS 21 2.880 8.732 -4.848 140 1HB LYS 21 2HB LYS 21 4.785 9.795 -6.207 141 2HB LYS 21 1HB LYS 21 5.888 8.980 -5.127 142 1HG LYS 21 2HG LYS 21 3.884 7.528 -6.847 143 2HG LYS 21 1HG LYS 21 5.491 7.944 -7.396 144 1HD LYS 21 2HD LYS 21 4.914 6.180 -5.006 145 2HD LYS 21 1HD LYS 21 5.187 5.570 -6.629 146 1HE LYS 21 2HE LYS 21 7.260 5.319 -5.612 147 2HE LYS 21 1HE LYS 21 7.438 6.828 -6.491 148 1HZ LYS 21 1HZ LYS 21 8.346 6.946 -4.213 149 2HZ LYS 21 2HZ LYS 21 6.833 6.588 -3.591 150 3HZ LYS 21 3HZ LYS 21 7.090 8.043 -4.391 151 H ARG 22 H ARG 22 2.142 7.288 -3.236 152 HA ARG 22 HA ARG 22 4.370 6.062 -1.932 153 1HB ARG 22 2HB ARG 22 1.484 6.267 -1.110 154 2HB ARG 22 1HB ARG 22 2.763 5.495 -0.202 155 1HG ARG 22 2HG ARG 22 2.684 8.417 -0.895 156 2HG ARG 22 1HG ARG 22 2.120 7.731 0.626 157 1HD ARG 22 2HD ARG 22 4.393 6.891 1.048 158 2HD ARG 22 1HD ARG 22 4.935 7.646 -0.454 159 HE ARG 22 HE ARG 22 3.850 9.710 0.736 160 1HH1 ARG 22 1HH1 ARG 22 5.961 7.299 2.177 161 2HH1 ARG 22 2HH1 ARG 22 6.708 8.382 3.272 162 1HH2 ARG 22 1HH2 ARG 22 4.845 11.215 2.281 163 2HH2 ARG 22 2HH2 ARG 22 6.051 10.630 3.314 164 H ILE 23 H ILE 23 3.432 3.492 -1.290 165 HA ILE 23 HA ILE 23 1.594 2.710 -3.422 166 HB ILE 23 HB ILE 23 3.949 2.210 -4.247 167 1HG1 ILE 23 2HG1 ILE 23 2.438 -0.330 -3.630 168 2HG1 ILE 23 1HG1 ILE 23 2.025 0.783 -4.931 169 1HG2 ILE 23 1HG2 ILE 23 5.026 1.733 -2.068 170 2HG2 ILE 23 2HG2 ILE 23 5.219 0.398 -3.229 171 3HG2 ILE 23 3HG2 ILE 23 4.032 0.265 -1.953 172 1HD1 ILE 23 1HD1 ILE 23 4.188 0.380 -5.974 173 2HD1 ILE 23 2HD1 ILE 23 3.297 -1.131 -5.744 174 3HD1 ILE 23 3HD1 ILE 23 4.627 -0.711 -4.662 175 H TYR 24 H TYR 24 0.268 0.925 -2.862 176 HA TYR 24 HA TYR 24 0.832 -0.363 -0.373 177 1HB TYR 24 2HB TYR 24 -1.526 -0.109 0.499 178 2HB TYR 24 1HB TYR 24 -0.551 1.345 0.544 179 HD1 TYR 24 1HD TYR 24 -2.037 0.430 -2.684 180 HD2 TYR 24 2HD TYR 24 -2.644 2.550 0.943 181 HE1 TYR 24 1HE TYR 24 -3.890 1.659 -3.720 182 HE2 TYR 24 2HE TYR 24 -4.489 3.783 -0.082 183 HH TYR 24 HH TYR 24 -5.818 2.906 -3.142 184 H TYR 25 H TYR 25 -1.127 -2.203 0.012 185 HA TYR 25 HA TYR 25 -0.863 -3.716 -2.230 186 1HB TYR 25 2HB TYR 25 -0.550 -4.518 -0.048 187 2HB TYR 25 1HB TYR 25 -2.157 -4.035 0.439 188 HD1 TYR 25 1HD TYR 25 -3.907 -5.561 0.329 189 HD2 TYR 25 2HD TYR 25 -0.322 -6.436 -1.767 190 HE1 TYR 25 1HE TYR 25 -4.691 -7.842 -0.023 191 HE2 TYR 25 2HE TYR 25 -1.110 -8.747 -2.136 192 HH TYR 25 HH TYR 25 -2.710 -10.348 -0.968 193 H ASN 26 H ASN 26 -2.689 -4.202 -3.711 194 HA ASN 26 HA ASN 26 -5.419 -3.320 -2.928 195 1HB ASN 26 2HB ASN 26 -4.663 -2.627 -5.245 196 2HB ASN 26 1HB ASN 26 -4.463 -4.343 -5.625 197 1HD2 ASN 26 1HD2 ASN 26 -6.729 -1.782 -4.973 198 2HD2 ASN 26 2HD2 ASN 26 -8.136 -2.632 -5.483 199 H SER 27 H SER 27 -6.678 -4.512 -2.272 200 HA SER 27 HA SER 27 -5.787 -6.993 -1.618 201 1HB SER 27 2HB SER 27 -8.528 -5.867 -1.105 202 2HB SER 27 1HB SER 27 -7.989 -7.403 -0.428 203 HG SER 27 HG SER 27 -6.761 -4.860 -0.041 204 H ALA 28 H ALA 28 -8.164 -6.033 -3.998 205 HA ALA 28 HA ALA 28 -9.248 -8.611 -4.469 206 1HB ALA 28 1HB ALA 28 -9.321 -6.120 -6.162 207 2HB ALA 28 2HB ALA 28 -10.507 -6.599 -4.950 208 3HB ALA 28 3HB ALA 28 -10.301 -7.564 -6.417 209 H ARG 29 H ARG 29 -6.872 -6.584 -5.939 210 HA ARG 29 HA ARG 29 -6.258 -8.427 -8.121 211 1HB ARG 29 2HB ARG 29 -4.943 -5.809 -7.408 212 2HB ARG 29 1HB ARG 29 -4.258 -6.879 -8.612 213 1HG ARG 29 2HG ARG 29 -5.492 -5.136 -9.706 214 2HG ARG 29 1HG ARG 29 -6.338 -6.663 -9.937 215 1HD ARG 29 2HD ARG 29 -7.961 -6.079 -8.303 216 2HD ARG 29 1HD ARG 29 -7.026 -4.675 -7.797 217 HE ARG 29 HE ARG 29 -7.648 -4.438 -10.516 218 1HH1 ARG 29 1HH1 ARG 29 -9.105 -4.265 -7.336 219 2HH1 ARG 29 2HH1 ARG 29 -10.401 -3.249 -7.753 220 1HH2 ARG 29 1HH2 ARG 29 -9.450 -3.022 -11.205 221 2HH2 ARG 29 2HH2 ARG 29 -10.580 -2.514 -10.035 222 H LYS 30 H LYS 30 -5.368 -8.228 -5.010 223 HA LYS 30 HA LYS 30 -3.649 -8.882 -3.613 224 1HB LYS 30 2HB LYS 30 -4.448 -11.095 -4.501 225 2HB LYS 30 1HB LYS 30 -3.241 -10.999 -5.774 226 1HG LYS 30 2HG LYS 30 -1.513 -10.902 -3.890 227 2HG LYS 30 1HG LYS 30 -2.825 -11.382 -2.821 228 1HD LYS 30 2HD LYS 30 -3.169 -13.396 -4.155 229 2HD LYS 30 1HD LYS 30 -1.867 -12.902 -5.241 230 1HE LYS 30 2HE LYS 30 -0.351 -12.879 -3.227 231 2HE LYS 30 1HE LYS 30 -1.662 -13.644 -2.328 232 1HZ LYS 30 1HZ LYS 30 -1.613 -15.457 -3.989 233 2HZ LYS 30 2HZ LYS 30 -0.143 -15.306 -3.143 234 3HZ LYS 30 3HZ LYS 30 -0.278 -14.723 -4.715 235 H GLN 31 H GLN 31 -2.987 -7.005 -5.245 236 HA GLN 31 HA GLN 31 0.076 -7.041 -5.560 237 1HB GLN 31 2HB GLN 31 0.199 -6.413 -7.765 238 2HB GLN 31 1HB GLN 31 -0.984 -7.707 -7.751 239 1HG GLN 31 2HG GLN 31 -2.766 -5.998 -7.850 240 2HG GLN 31 1HG GLN 31 -1.515 -4.760 -7.981 241 1HE2 GLN 31 1HE2 GLN 31 -3.531 -5.378 -9.875 242 2HE2 GLN 31 2HE2 GLN 31 -2.774 -5.903 -11.324 243 H CYS 32 H CYS 32 1.406 -5.167 -5.562 244 HA CYS 32 HA CYS 32 0.261 -3.259 -3.942 245 1HB CYS 32 2HB CYS 32 2.884 -3.633 -5.340 246 2HB CYS 32 1HB CYS 32 2.514 -2.348 -4.211 247 H LEU 33 H LEU 33 -0.257 -1.160 -4.639 248 HA LEU 33 HA LEU 33 0.444 -0.308 -7.353 249 1HB LEU 33 2HB LEU 33 -1.746 0.215 -8.011 250 2HB LEU 33 1HB LEU 33 -1.823 -1.422 -7.419 251 HG LEU 33 HG LEU 33 -2.787 1.036 -5.943 252 1HD1 LEU 33 1HD1 LEU 33 -4.152 0.543 -7.868 253 2HD1 LEU 33 2HD1 LEU 33 -5.023 0.149 -6.383 254 3HD1 LEU 33 3HD1 LEU 33 -4.310 -1.137 -7.356 255 1HD2 LEU 33 1HD2 LEU 33 -2.110 -0.639 -4.361 256 2HD2 LEU 33 2HD2 LEU 33 -2.945 -1.888 -5.259 257 3HD2 LEU 33 3HD2 LEU 33 -3.877 -0.625 -4.435 258 H ARG 34 H ARG 34 0.577 1.696 -7.635 259 HA ARG 34 HA ARG 34 1.136 3.379 -5.405 260 1HB ARG 34 2HB ARG 34 2.496 3.203 -7.485 261 2HB ARG 34 1HB ARG 34 1.153 3.820 -8.403 262 1HG ARG 34 2HG ARG 34 2.649 5.416 -6.312 263 2HG ARG 34 1HG ARG 34 3.080 5.392 -8.006 264 1HD ARG 34 2HD ARG 34 0.531 6.131 -8.286 265 2HD ARG 34 1HD ARG 34 0.772 6.669 -6.624 266 HE ARG 34 HE ARG 34 2.629 7.490 -8.738 267 1HH1 ARG 34 1HH1 ARG 34 0.385 8.429 -6.158 268 2HH1 ARG 34 2HH1 ARG 34 0.566 10.103 -6.407 269 1HH2 ARG 34 1HH2 ARG 34 2.970 9.794 -8.988 270 2HH2 ARG 34 2HH2 ARG 34 2.091 10.897 -8.021 271 H PHE 35 H PHE 35 0.075 5.048 -4.897 272 HA PHE 35 HA PHE 35 -2.358 5.371 -6.139 273 1HB PHE 35 2HB PHE 35 -3.637 5.912 -3.940 274 2HB PHE 35 1HB PHE 35 -3.031 4.291 -4.198 275 HD1 PHE 35 1HD PHE 35 -3.372 6.885 -1.908 276 HD2 PHE 35 2HD PHE 35 -0.609 3.875 -3.104 277 HE1 PHE 35 1HE PHE 35 -2.338 6.946 0.316 278 HE2 PHE 35 2HE PHE 35 0.428 3.944 -0.883 279 HZ PHE 35 HZ PHE 35 -0.442 5.476 0.835 280 H ASP 36 H ASP 36 -3.226 8.046 -5.154 281 HA ASP 36 HA ASP 36 -0.712 9.427 -5.037 282 1HB ASP 36 2HB ASP 36 -2.407 9.870 -6.926 283 2HB ASP 36 1HB ASP 36 -3.331 10.738 -5.702 284 H TYR 37 H TYR 37 -0.381 9.210 -2.954 285 HA TYR 37 HA TYR 37 -2.290 9.878 -0.898 286 1HB TYR 37 2HB TYR 37 -0.543 8.143 -0.673 287 2HB TYR 37 1HB TYR 37 0.691 9.363 -0.868 288 HD1 TYR 37 1HD TYR 37 1.446 10.635 1.008 289 HD2 TYR 37 2HD TYR 37 -2.064 8.263 1.357 290 HE1 TYR 37 1HE TYR 37 1.412 11.046 3.424 291 HE2 TYR 37 2HE TYR 37 -2.103 8.668 3.772 292 HH TYR 37 HH TYR 37 -0.275 11.063 5.223 293 H THR 38 H THR 38 -2.378 11.983 0.185 294 HA THR 38 HA THR 38 -0.850 13.765 -1.436 295 HB THR 38 HB THR 38 -2.424 15.399 -0.302 296 HG1 THR 38 1HG THR 38 -4.044 13.147 0.113 297 1HG2 THR 38 1HG2 THR 38 -2.640 14.590 -2.633 298 2HG2 THR 38 2HG2 THR 38 -4.214 14.781 -1.864 299 3HG2 THR 38 3HG2 THR 38 -3.516 13.173 -2.052 300 H GLY 39 H GLY 39 -1.272 13.374 2.155 301 1HA GLY 39 2HA GLY 39 1.023 13.305 3.241 302 2HA GLY 39 1HA GLY 39 1.351 14.736 2.287 303 H GLN 40 H GLN 40 -1.878 15.060 3.298 304 HA GLN 40 HA GLN 40 -1.175 15.757 5.954 305 1HB GLN 40 2HB GLN 40 -1.229 17.800 4.526 306 2HB GLN 40 1HB GLN 40 -2.807 17.329 3.928 307 1HG GLN 40 2HG GLN 40 -3.069 19.081 5.521 308 2HG GLN 40 1HG GLN 40 -3.721 17.591 6.186 309 1HE2 GLN 40 1HE2 GLN 40 -2.733 20.056 7.480 310 2HE2 GLN 40 2HE2 GLN 40 -1.549 19.531 8.618 311 H GLY 41 H GLY 41 -2.718 14.237 7.094 312 1HA GLY 41 2HA GLY 41 -4.943 13.724 7.518 313 2HA GLY 41 1HA GLY 41 -5.384 14.458 5.993 314 H GLY 42 H GLY 42 -3.205 11.683 6.726 315 1HA GLY 42 2HA GLY 42 -4.848 10.127 4.837 316 2HA GLY 42 1HA GLY 42 -3.094 10.083 4.839 317 H ASN 43 H ASN 43 -2.990 7.782 5.214 318 HA ASN 43 HA ASN 43 -4.092 6.539 7.674 319 1HB ASN 43 2HB ASN 43 -3.753 4.550 6.334 320 2HB ASN 43 1HB ASN 43 -4.927 5.604 5.567 321 1HD2 ASN 43 1HD2 ASN 43 -4.502 4.399 3.652 322 2HD2 ASN 43 2HD2 ASN 43 -3.115 4.773 2.684 323 H GLU 44 H GLU 44 -2.873 4.905 8.366 324 HA GLU 44 HA GLU 44 0.004 5.545 8.985 325 1HB GLU 44 2HB GLU 44 -1.827 3.361 9.925 326 2HB GLU 44 1HB GLU 44 -0.233 3.766 10.547 327 1HG GLU 44 2HG GLU 44 -2.704 5.475 10.708 328 2HG GLU 44 1HG GLU 44 -1.948 4.588 12.032 329 H ASN 45 H ASN 45 -1.534 3.613 6.691 330 HA ASN 45 HA ASN 45 0.853 1.917 6.487 331 1HB ASN 45 2HB ASN 45 -1.421 0.961 6.112 332 2HB ASN 45 1HB ASN 45 -1.611 2.025 4.726 333 1HD2 ASN 45 1HD2 ASN 45 -0.069 -0.792 5.979 334 2HD2 ASN 45 2HD2 ASN 45 0.501 -1.368 4.458 335 H ASN 46 H ASN 46 2.397 4.190 5.770 336 HA ASN 46 HA ASN 46 2.445 4.303 3.144 337 1HB ASN 46 2HB ASN 46 3.318 5.896 4.689 338 2HB ASN 46 1HB ASN 46 4.328 4.683 5.451 339 1HD2 ASN 46 1HD2 ASN 46 6.226 5.520 5.165 340 2HD2 ASN 46 2HD2 ASN 46 7.018 5.867 3.688 341 H PHE 47 H PHE 47 3.446 3.125 1.631 342 HA PHE 47 HA PHE 47 5.740 1.626 2.454 343 1HB PHE 47 2HB PHE 47 3.885 0.911 0.164 344 2HB PHE 47 1HB PHE 47 5.439 0.134 0.437 345 HD1 PHE 47 1HD PHE 47 2.093 -0.267 0.835 346 HD2 PHE 47 2HD PHE 47 5.682 -0.625 3.057 347 HE1 PHE 47 1HE PHE 47 0.984 -1.847 2.348 348 HE2 PHE 47 2HE PHE 47 4.590 -2.205 4.586 349 HZ PHE 47 HZ PHE 47 2.230 -2.820 4.225 350 H ARG 48 H ARG 48 7.415 2.634 1.531 351 HA ARG 48 HA ARG 48 7.132 4.594 -0.835 352 1HB ARG 48 2HB ARG 48 7.907 5.529 1.393 353 2HB ARG 48 1HB ARG 48 9.355 4.541 1.164 354 1HG ARG 48 2HG ARG 48 10.190 5.947 -0.371 355 2HG ARG 48 1HG ARG 48 8.671 5.982 -1.261 356 1HD ARG 48 2HD ARG 48 9.024 8.245 -0.628 357 2HD ARG 48 1HD ARG 48 7.856 7.684 0.483 358 HE ARG 48 HE ARG 48 10.281 7.130 1.679 359 1HH1 ARG 48 1HH1 ARG 48 8.594 10.047 0.572 360 2HH1 ARG 48 2HH1 ARG 48 9.335 11.089 1.702 361 1HH2 ARG 48 1HH2 ARG 48 11.361 8.578 3.194 362 2HH2 ARG 48 2HH2 ARG 48 10.924 10.217 3.266 363 H ARG 49 H ARG 49 8.155 1.374 -0.222 364 HA ARG 49 HA ARG 49 9.754 1.668 -2.550 365 1HB ARG 49 2HB ARG 49 11.235 1.628 -0.639 366 2HB ARG 49 1HB ARG 49 10.398 0.251 0.043 367 1HG ARG 49 2HG ARG 49 12.458 -0.515 -0.795 368 2HG ARG 49 1HG ARG 49 11.215 -1.087 -1.902 369 1HD ARG 49 2HD ARG 49 11.750 0.773 -3.421 370 2HD ARG 49 1HD ARG 49 13.025 1.289 -2.318 371 HE ARG 49 HE ARG 49 13.351 -1.426 -2.945 372 1HH1 ARG 49 1HH1 ARG 49 14.006 1.798 -4.230 373 2HH1 ARG 49 2HH1 ARG 49 15.058 1.257 -5.456 374 1HH2 ARG 49 1HH2 ARG 49 14.830 -2.172 -4.587 375 2HH2 ARG 49 2HH2 ARG 49 15.560 -1.065 -5.658 376 H THR 50 H THR 50 9.470 -0.281 -3.880 377 HA THR 50 HA THR 50 6.969 -1.521 -3.589 378 HB THR 50 HB THR 50 9.123 -2.228 -5.592 379 HG1 THR 50 1HG THR 50 8.879 -0.141 -5.907 380 1HG2 THR 50 1HG2 THR 50 7.192 -2.774 -7.034 381 2HG2 THR 50 2HG2 THR 50 6.093 -2.387 -5.708 382 3HG2 THR 50 3HG2 THR 50 7.188 -3.762 -5.575 383 H TYR 51 H TYR 51 10.230 -2.793 -2.885 384 HA TYR 51 HA TYR 51 9.231 -5.468 -2.588 385 1HB TYR 51 2HB TYR 51 11.623 -5.163 -2.993 386 2HB TYR 51 1HB TYR 51 11.788 -4.236 -1.506 387 HD1 TYR 51 1HD TYR 51 12.724 -5.367 0.282 388 HD2 TYR 51 2HD TYR 51 10.448 -7.575 -2.545 389 HE1 TYR 51 1HE TYR 51 13.145 -7.428 1.553 390 HE2 TYR 51 2HE TYR 51 10.869 -9.639 -1.289 391 HH TYR 51 HH TYR 51 12.371 -10.535 0.296 392 H ASP 52 H ASP 52 9.514 -2.744 -0.486 393 HA ASP 52 HA ASP 52 8.977 -4.030 2.001 394 1HB ASP 52 2HB ASP 52 8.121 -1.287 1.024 395 2HB ASP 52 1HB ASP 52 7.944 -1.840 2.679 396 H CYS 53 H CYS 53 6.612 -2.685 -0.258 397 HA CYS 53 HA CYS 53 4.326 -3.539 1.206 398 1HB CYS 53 2HB CYS 53 3.029 -3.125 -0.706 399 2HB CYS 53 1HB CYS 53 4.297 -1.916 -0.656 400 H GLN 54 H GLN 54 5.864 -4.825 -1.301 401 HA GLN 54 HA GLN 54 4.736 -7.415 -1.791 402 1HB GLN 54 2HB GLN 54 6.144 -6.646 -3.429 403 2HB GLN 54 1HB GLN 54 7.577 -6.609 -2.375 404 1HG GLN 54 2HG GLN 54 7.418 -9.097 -2.331 405 2HG GLN 54 1HG GLN 54 6.093 -8.968 -3.492 406 1HE2 GLN 54 1HE2 GLN 54 6.558 -8.302 -5.613 407 2HE2 GLN 54 2HE2 GLN 54 8.171 -8.365 -6.223 408 H ARG 55 H ARG 55 7.416 -6.762 0.223 409 HA ARG 55 HA ARG 55 7.781 -9.466 1.270 410 1HB ARG 55 2HB ARG 55 9.519 -7.634 1.314 411 2HB ARG 55 1HB ARG 55 8.525 -6.813 2.505 412 1HG ARG 55 2HG ARG 55 8.828 -8.729 4.015 413 2HG ARG 55 1HG ARG 55 9.895 -9.467 2.813 414 1HD ARG 55 2HD ARG 55 11.286 -7.436 2.867 415 2HD ARG 55 1HD ARG 55 10.280 -6.816 4.171 416 HE ARG 55 HE ARG 55 11.517 -9.398 4.568 417 1HH1 ARG 55 1HH1 ARG 55 11.405 -5.964 5.375 418 2HH1 ARG 55 2HH1 ARG 55 12.722 -6.020 6.471 419 1HH2 ARG 55 1HH2 ARG 55 13.298 -9.485 6.143 420 2HH2 ARG 55 2HH2 ARG 55 13.784 -8.073 6.952 421 H THR 56 H THR 56 5.931 -6.546 2.545 422 HA THR 56 HA THR 56 5.177 -8.265 4.523 423 HB THR 56 HB THR 56 5.261 -5.927 5.009 424 HG1 THR 56 1HG THR 56 2.847 -7.303 5.298 425 1HG2 THR 56 1HG2 THR 56 4.579 -5.035 2.851 426 2HG2 THR 56 2HG2 THR 56 3.601 -4.356 4.156 427 3HG2 THR 56 3HG2 THR 56 2.938 -5.621 3.121 428 H CYS 57 H CYS 57 3.469 -7.423 1.476 429 HA CYS 57 HA CYS 57 1.157 -8.886 2.497 430 1HB CYS 57 2HB CYS 57 1.311 -6.970 0.188 431 2HB CYS 57 1HB CYS 57 -0.130 -7.777 0.791 432 H LEU 58 H LEU 58 3.633 -9.368 0.254 433 HA LEU 58 HA LEU 58 1.936 -11.201 -1.189 434 1HB LEU 58 2HB LEU 58 3.159 -9.559 -2.504 435 2HB LEU 58 1HB LEU 58 4.679 -10.185 -1.907 436 HG LEU 58 HG LEU 58 4.224 -12.327 -3.068 437 1HD1 LEU 58 1HD1 LEU 58 1.826 -10.864 -4.175 438 2HD1 LEU 58 2HD1 LEU 58 1.786 -12.244 -3.077 439 3HD1 LEU 58 3HD1 LEU 58 2.413 -12.435 -4.715 440 1HD2 LEU 58 1HD2 LEU 58 5.554 -10.615 -4.156 441 2HD2 LEU 58 2HD2 LEU 58 4.100 -9.867 -4.810 442 3HD2 LEU 58 3HD2 LEU 58 4.577 -11.479 -5.341 443 H TYR 59 H TYR 59 4.567 -11.106 1.050 444 HA TYR 59 HA TYR 59 5.145 -13.855 0.520 445 1HB TYR 59 2HB TYR 59 6.732 -11.813 2.073 446 2HB TYR 59 1HB TYR 59 7.122 -13.532 2.091 447 HD1 TYR 59 1HD TYR 59 7.569 -14.665 -0.114 448 HD2 TYR 59 2HD TYR 59 7.513 -10.442 0.309 449 HE1 TYR 59 1HE TYR 59 8.827 -14.450 -2.204 450 HE2 TYR 59 2HE TYR 59 8.774 -10.212 -1.788 451 HH TYR 59 HH TYR 59 9.099 -12.788 -3.926 452 H THR 60 H THR 60 3.189 -14.691 1.504 453 HA THR 60 HA THR 60 3.177 -14.769 4.299 454 HB THR 60 HB THR 60 1.835 -12.754 4.003 455 HG1 THR 60 1HG THR 60 0.910 -14.222 5.435 456 1HG2 THR 60 1HG2 THR 60 0.267 -14.226 1.881 457 2HG2 THR 60 2HG2 THR 60 1.391 -12.897 1.613 458 3HG2 THR 60 3HG2 THR 60 -0.107 -12.619 2.501 Start of MODEL 12 1 1H LYS 1 1HT LYS 1 -2.217 -13.953 11.079 2 2H LYS 1 2HT LYS 1 -1.381 -12.675 10.436 3 3H LYS 1 3HT LYS 1 -0.587 -13.705 11.527 4 HA LYS 1 HA LYS 1 0.026 -14.046 9.214 5 1HB LYS 1 2HB LYS 1 -0.486 -16.518 9.085 6 2HB LYS 1 1HB LYS 1 0.137 -16.027 10.653 7 1HG LYS 1 2HG LYS 1 -2.196 -15.968 11.499 8 2HG LYS 1 1HG LYS 1 -2.734 -16.591 9.942 9 1HD LYS 1 2HD LYS 1 -2.539 -18.364 11.637 10 2HD LYS 1 1HD LYS 1 -1.424 -18.619 10.289 11 1HE LYS 1 2HE LYS 1 0.421 -17.838 11.585 12 2HE LYS 1 1HE LYS 1 -0.645 -17.274 12.869 13 1HZ LYS 1 1HZ LYS 1 -1.200 -19.488 13.414 14 2HZ LYS 1 2HZ LYS 1 0.471 -19.396 13.384 15 3HZ LYS 1 3HZ LYS 1 -0.361 -20.130 12.094 16 H ASP 2 H ASP 2 -0.999 -15.540 7.261 17 HA ASP 2 HA ASP 2 -2.359 -15.542 5.451 18 1HB ASP 2 2HB ASP 2 -4.429 -14.536 7.413 19 2HB ASP 2 1HB ASP 2 -4.783 -14.608 5.694 20 H ARG 3 H ARG 3 -3.081 -12.550 7.113 21 HA ARG 3 HA ARG 3 -1.811 -11.050 4.957 22 1HB ARG 3 2HB ARG 3 -4.604 -10.450 5.976 23 2HB ARG 3 1HB ARG 3 -3.676 -9.469 4.879 24 1HG ARG 3 2HG ARG 3 -3.918 -11.174 3.150 25 2HG ARG 3 1HG ARG 3 -4.836 -12.187 4.278 26 1HD ARG 3 2HD ARG 3 -6.445 -10.358 4.579 27 2HD ARG 3 1HD ARG 3 -5.556 -9.391 3.420 28 HE ARG 3 HE ARG 3 -6.271 -11.736 2.146 29 1HH1 ARG 3 1HH1 ARG 3 -7.940 -9.119 3.820 30 2HH1 ARG 3 2HH1 ARG 3 -9.266 -9.022 2.772 31 1HH2 ARG 3 1HH2 ARG 3 -8.189 -11.653 0.615 32 2HH2 ARG 3 2HH2 ARG 3 -9.391 -10.479 0.922 33 HA PRO 4 HA PRO 4 -1.050 -8.911 8.827 34 1HB PRO 4 2HB PRO 4 0.031 -6.761 7.012 35 2HB PRO 4 1HB PRO 4 0.817 -7.498 8.413 36 1HG PRO 4 2HG PRO 4 1.575 -8.102 5.911 37 2HG PRO 4 1HG PRO 4 1.578 -9.315 7.201 38 1HD PRO 4 2HD PRO 4 -0.391 -8.912 4.985 39 2HD PRO 4 1HD PRO 4 0.225 -10.426 5.683 40 H SER 5 H SER 5 -2.904 -7.658 9.520 41 HA SER 5 HA SER 5 -4.926 -7.104 7.860 42 1HB SER 5 2HB SER 5 -4.387 -5.966 10.582 43 2HB SER 5 1HB SER 5 -5.960 -5.975 9.769 44 HG SER 5 HG SER 5 -5.585 -8.261 9.498 45 H LEU 6 H LEU 6 -2.119 -5.049 8.290 46 HA LEU 6 HA LEU 6 -3.483 -2.694 7.714 47 1HB LEU 6 2HB LEU 6 -1.151 -1.773 7.544 48 2HB LEU 6 1HB LEU 6 -1.599 -2.455 9.084 49 HG LEU 6 HG LEU 6 -0.300 -4.536 8.408 50 1HD1 LEU 6 1HD1 LEU 6 1.447 -4.285 6.723 51 2HD1 LEU 6 2HD1 LEU 6 0.772 -2.726 6.253 52 3HD1 LEU 6 3HD1 LEU 6 -0.168 -4.202 6.018 53 1HD2 LEU 6 1HD2 LEU 6 1.856 -3.539 8.992 54 2HD2 LEU 6 2HD2 LEU 6 0.544 -2.937 10.008 55 3HD2 LEU 6 3HD2 LEU 6 1.185 -1.937 8.705 56 H CYS 7 H CYS 7 -2.591 -5.299 5.788 57 HA CYS 7 HA CYS 7 -2.005 -3.840 3.404 58 1HB CYS 7 2HB CYS 7 -2.829 -6.714 3.828 59 2HB CYS 7 1HB CYS 7 -2.146 -6.039 2.355 60 H ASP 8 H ASP 8 -4.772 -4.807 5.201 61 HA ASP 8 HA ASP 8 -6.687 -4.489 2.985 62 1HB ASP 8 2HB ASP 8 -6.816 -6.573 4.433 63 2HB ASP 8 1HB ASP 8 -7.118 -5.540 5.823 64 H LEU 9 H LEU 9 -5.221 -2.262 4.124 65 HA LEU 9 HA LEU 9 -6.879 -1.145 6.217 66 1HB LEU 9 2HB LEU 9 -4.348 -1.581 6.568 67 2HB LEU 9 1HB LEU 9 -4.084 -0.352 5.370 68 HG LEU 9 HG LEU 9 -3.712 0.468 7.626 69 1HD1 LEU 9 1HD1 LEU 9 -4.423 2.094 6.022 70 2HD1 LEU 9 2HD1 LEU 9 -5.095 2.466 7.612 71 3HD1 LEU 9 3HD1 LEU 9 -6.115 1.739 6.368 72 1HD2 LEU 9 1HD2 LEU 9 -6.610 -0.183 8.113 73 2HD2 LEU 9 2HD2 LEU 9 -5.575 0.735 9.205 74 3HD2 LEU 9 3HD2 LEU 9 -5.211 -0.957 8.860 75 HA PRO 10 HA PRO 10 -9.066 1.148 3.409 76 1HB PRO 10 2HB PRO 10 -7.889 3.384 4.969 77 2HB PRO 10 1HB PRO 10 -9.553 3.125 4.429 78 1HG PRO 10 2HG PRO 10 -8.526 2.439 6.929 79 2HG PRO 10 1HG PRO 10 -10.038 1.839 6.224 80 1HD PRO 10 2HD PRO 10 -7.713 0.337 6.808 81 2HD PRO 10 1HD PRO 10 -9.127 -0.205 5.880 82 H ALA 11 H ALA 11 -8.551 1.185 1.568 83 HA ALA 11 HA ALA 11 -6.039 2.374 0.326 84 1HB ALA 11 1HB ALA 11 -8.715 1.391 -0.835 85 2HB ALA 11 2HB ALA 11 -7.197 0.510 -0.964 86 3HB ALA 11 3HB ALA 11 -7.399 2.049 -1.807 87 H ASP 12 H ASP 12 -5.936 4.057 1.182 88 HA ASP 12 HA ASP 12 -8.002 6.097 0.722 89 1HB ASP 12 2HB ASP 12 -8.204 5.432 3.090 90 2HB ASP 12 1HB ASP 12 -6.490 5.759 3.318 91 H SER 13 H SER 13 -7.617 8.096 0.223 92 HA SER 13 HA SER 13 -4.971 8.407 -1.061 93 1HB SER 13 2HB SER 13 -6.261 10.244 -2.224 94 2HB SER 13 1HB SER 13 -6.754 8.589 -2.601 95 HG SER 13 HG SER 13 -8.070 10.458 -0.876 96 H GLY 14 H GLY 14 -6.646 9.635 1.616 97 1HA GLY 14 2HA GLY 14 -5.865 11.178 3.114 98 2HA GLY 14 1HA GLY 14 -4.443 11.389 2.097 99 H SER 15 H SER 15 -5.551 13.566 3.160 100 HA SER 15 HA SER 15 -6.460 14.625 0.942 101 1HB SER 15 2HB SER 15 -8.493 15.011 3.162 102 2HB SER 15 1HB SER 15 -8.478 16.109 1.779 103 HG SER 15 HG SER 15 -9.751 13.900 1.898 104 H GLY 16 H GLY 16 -4.204 14.846 1.764 105 1HA GLY 16 2HA GLY 16 -3.682 17.192 3.277 106 2HA GLY 16 1HA GLY 16 -2.517 16.121 2.535 107 H THR 17 H THR 17 -1.756 18.453 2.460 108 HA THR 17 HA THR 17 -2.675 20.127 0.280 109 HB THR 17 HB THR 17 -0.786 21.505 1.261 110 HG1 THR 17 1HG THR 17 -0.724 20.569 3.659 111 1HG2 THR 17 1HG2 THR 17 -3.177 21.925 1.699 112 2HG2 THR 17 2HG2 THR 17 -2.210 22.210 3.141 113 3HG2 THR 17 3HG2 THR 17 -3.151 20.724 2.991 114 H LYS 18 H LYS 18 -0.260 17.618 0.524 115 HA LYS 18 HA LYS 18 1.656 18.751 -1.450 116 1HB LYS 18 2HB LYS 18 2.518 18.366 0.903 117 2HB LYS 18 1HB LYS 18 1.813 16.769 0.863 118 1HG LYS 18 2HG LYS 18 4.153 16.551 0.548 119 2HG LYS 18 1HG LYS 18 3.380 16.208 -0.995 120 1HD LYS 18 2HD LYS 18 3.928 18.485 -1.746 121 2HD LYS 18 1HD LYS 18 4.725 18.786 -0.194 122 1HE LYS 18 2HE LYS 18 6.250 16.893 -0.655 123 2HE LYS 18 1HE LYS 18 5.484 16.688 -2.225 124 1HZ LYS 18 1HZ LYS 18 6.854 19.139 -1.319 125 2HZ LYS 18 2HZ LYS 18 6.296 18.839 -2.911 126 3HZ LYS 18 3HZ LYS 18 7.576 17.974 -2.288 127 H ALA 19 H ALA 19 2.504 17.140 -2.835 128 HA ALA 19 HA ALA 19 0.678 14.861 -3.258 129 1HB ALA 19 1HB ALA 19 1.362 14.942 -5.611 130 2HB ALA 19 2HB ALA 19 2.400 16.329 -5.275 131 3HB ALA 19 3HB ALA 19 0.650 16.489 -5.143 132 H GLU 20 H GLU 20 1.525 12.936 -2.899 133 HA GLU 20 HA GLU 20 4.399 12.660 -3.054 134 1HB GLU 20 2HB GLU 20 3.855 13.138 -0.731 135 2HB GLU 20 1HB GLU 20 2.700 11.817 -0.702 136 1HG GLU 20 2HG GLU 20 4.791 11.235 0.395 137 2HG GLU 20 1HG GLU 20 4.474 10.222 -1.019 138 H LYS 21 H LYS 21 5.034 10.606 -3.573 139 HA LYS 21 HA LYS 21 2.997 8.860 -4.879 140 1HB LYS 21 2HB LYS 21 4.935 9.850 -6.164 141 2HB LYS 21 1HB LYS 21 5.991 8.931 -5.101 142 1HG LYS 21 2HG LYS 21 4.759 6.869 -5.860 143 2HG LYS 21 1HG LYS 21 4.005 7.883 -7.088 144 1HD LYS 21 2HD LYS 21 5.876 6.855 -8.113 145 2HD LYS 21 1HD LYS 21 6.335 8.534 -7.799 146 1HE LYS 21 2HE LYS 21 7.498 7.824 -5.762 147 2HE LYS 21 1HE LYS 21 7.029 6.152 -6.083 148 1HZ LYS 21 1HZ LYS 21 8.956 7.828 -7.618 149 2HZ LYS 21 2HZ LYS 21 8.228 6.475 -8.267 150 3HZ LYS 21 3HZ LYS 21 9.177 6.301 -6.905 151 H ARG 22 H ARG 22 2.224 7.343 -3.269 152 HA ARG 22 HA ARG 22 4.435 5.996 -2.094 153 1HB ARG 22 2HB ARG 22 1.615 6.438 -1.136 154 2HB ARG 22 1HB ARG 22 2.792 5.430 -0.309 155 1HG ARG 22 2HG ARG 22 3.168 8.372 -0.862 156 2HG ARG 22 1HG ARG 22 2.511 7.728 0.640 157 1HD ARG 22 2HD ARG 22 4.615 6.507 1.014 158 2HD ARG 22 1HD ARG 22 5.263 7.177 -0.485 159 HE ARG 22 HE ARG 22 5.324 9.317 0.502 160 1HH1 ARG 22 1HH1 ARG 22 4.430 6.807 2.839 161 2HH1 ARG 22 2HH1 ARG 22 4.823 7.707 4.206 162 1HH2 ARG 22 1HH2 ARG 22 5.866 10.631 2.469 163 2HH2 ARG 22 2HH2 ARG 22 5.587 9.928 3.981 164 H ILE 23 H ILE 23 3.225 3.512 -1.382 165 HA ILE 23 HA ILE 23 1.523 2.724 -3.615 166 HB ILE 23 HB ILE 23 3.862 2.139 -4.273 167 1HG1 ILE 23 2HG1 ILE 23 2.339 -0.363 -3.584 168 2HG1 ILE 23 1HG1 ILE 23 1.982 0.677 -4.957 169 1HG2 ILE 23 1HG2 ILE 23 4.856 1.847 -2.063 170 2HG2 ILE 23 2HG2 ILE 23 5.133 0.443 -3.107 171 3HG2 ILE 23 3HG2 ILE 23 3.906 0.364 -1.859 172 1HD1 ILE 23 1HD1 ILE 23 4.552 -0.819 -4.502 173 2HD1 ILE 23 2HD1 ILE 23 4.181 0.214 -5.888 174 3HD1 ILE 23 3HD1 ILE 23 3.266 -1.270 -5.623 175 H TYR 24 H TYR 24 0.006 1.016 -3.020 176 HA TYR 24 HA TYR 24 0.224 0.207 -0.188 177 1HB TYR 24 2HB TYR 24 -2.144 0.529 0.191 178 2HB TYR 24 1HB TYR 24 -1.509 2.036 -0.434 179 HD1 TYR 24 1HD TYR 24 -3.838 -0.661 -0.892 180 HD2 TYR 24 2HD TYR 24 -2.115 2.682 -2.827 181 HE1 TYR 24 1HE TYR 24 -5.644 -0.714 -2.542 182 HE2 TYR 24 2HE TYR 24 -3.916 2.642 -4.487 183 HH TYR 24 HH TYR 24 -6.745 0.730 -4.119 184 H TYR 25 H TYR 25 -0.730 -1.657 0.160 185 HA TYR 25 HA TYR 25 -0.617 -3.646 -1.882 186 1HB TYR 25 2HB TYR 25 -0.266 -4.439 0.329 187 2HB TYR 25 1HB TYR 25 -1.884 -3.949 0.827 188 HD1 TYR 25 1HD TYR 25 -0.237 -6.163 -1.719 189 HD2 TYR 25 2HD TYR 25 -3.533 -5.579 0.898 190 HE1 TYR 25 1HE TYR 25 -1.098 -8.398 -2.302 191 HE2 TYR 25 2HE TYR 25 -4.396 -7.804 0.328 192 HH TYR 25 HH TYR 25 -2.527 -10.093 -1.338 193 H ASN 26 H ASN 26 -2.287 -4.060 -3.433 194 HA ASN 26 HA ASN 26 -5.004 -3.178 -2.771 195 1HB ASN 26 2HB ASN 26 -3.963 -2.479 -4.976 196 2HB ASN 26 1HB ASN 26 -3.914 -4.185 -5.411 197 1HD2 ASN 26 1HD2 ASN 26 -5.878 -1.395 -5.034 198 2HD2 ASN 26 2HD2 ASN 26 -7.333 -2.095 -5.632 199 H SER 27 H SER 27 -6.359 -4.440 -2.293 200 HA SER 27 HA SER 27 -5.463 -7.059 -1.793 201 1HB SER 27 2HB SER 27 -6.726 -5.961 -0.022 202 2HB SER 27 1HB SER 27 -8.181 -5.974 -1.020 203 HG SER 27 HG SER 27 -8.457 -8.005 -0.672 204 H ALA 28 H ALA 28 -7.839 -5.763 -4.019 205 HA ALA 28 HA ALA 28 -9.041 -8.254 -4.619 206 1HB ALA 28 1HB ALA 28 -10.276 -6.208 -4.907 207 2HB ALA 28 2HB ALA 28 -10.142 -7.036 -6.459 208 3HB ALA 28 3HB ALA 28 -9.120 -5.642 -6.114 209 H ARG 29 H ARG 29 -6.642 -6.191 -5.961 210 HA ARG 29 HA ARG 29 -6.060 -7.865 -8.292 211 1HB ARG 29 2HB ARG 29 -4.552 -5.448 -7.261 212 2HB ARG 29 1HB ARG 29 -4.170 -6.308 -8.745 213 1HG ARG 29 2HG ARG 29 -6.773 -4.895 -8.208 214 2HG ARG 29 1HG ARG 29 -5.414 -4.213 -9.096 215 1HD ARG 29 2HD ARG 29 -7.011 -6.658 -9.846 216 2HD ARG 29 1HD ARG 29 -7.061 -5.085 -10.643 217 HE ARG 29 HE ARG 29 -4.743 -6.921 -10.651 218 1HH1 ARG 29 1HH1 ARG 29 -6.539 -4.273 -12.228 219 2HH1 ARG 29 2HH1 ARG 29 -5.628 -4.369 -13.648 220 1HH2 ARG 29 1HH2 ARG 29 -3.521 -6.982 -12.548 221 2HH2 ARG 29 2HH2 ARG 29 -3.836 -5.876 -13.829 222 H LYS 30 H LYS 30 -5.268 -7.992 -5.131 223 HA LYS 30 HA LYS 30 -3.661 -8.905 -3.763 224 1HB LYS 30 2HB LYS 30 -4.573 -10.957 -4.915 225 2HB LYS 30 1HB LYS 30 -3.287 -10.820 -6.107 226 1HG LYS 30 2HG LYS 30 -1.701 -10.948 -4.070 227 2HG LYS 30 1HG LYS 30 -3.108 -11.580 -3.220 228 1HD LYS 30 2HD LYS 30 -3.280 -13.390 -4.816 229 2HD LYS 30 1HD LYS 30 -1.942 -12.712 -5.754 230 1HE LYS 30 2HE LYS 30 -0.557 -12.902 -3.640 231 2HE LYS 30 1HE LYS 30 -1.860 -13.888 -2.989 232 1HZ LYS 30 1HZ LYS 30 -1.555 -15.393 -4.907 233 2HZ LYS 30 2HZ LYS 30 -0.186 -15.281 -3.920 234 3HZ LYS 30 3HZ LYS 30 -0.234 -14.451 -5.395 235 H GLN 31 H GLN 31 -2.843 -6.982 -5.143 236 HA GLN 31 HA GLN 31 0.205 -7.085 -5.372 237 1HB GLN 31 2HB GLN 31 0.428 -6.293 -7.533 238 2HB GLN 31 1HB GLN 31 -0.643 -7.676 -7.626 239 1HG GLN 31 2HG GLN 31 -2.545 -6.115 -7.781 240 2HG GLN 31 1HG GLN 31 -1.391 -4.777 -7.810 241 1HE2 GLN 31 1HE2 GLN 31 -1.928 -4.134 -9.911 242 2HE2 GLN 31 2HE2 GLN 31 -1.480 -5.079 -11.273 243 H CYS 32 H CYS 32 1.494 -5.301 -5.081 244 HA CYS 32 HA CYS 32 -0.254 -3.735 -3.792 245 1HB CYS 32 2HB CYS 32 1.842 -2.535 -2.858 246 2HB CYS 32 1HB CYS 32 1.523 -4.192 -2.388 247 H LEU 33 H LEU 33 -0.442 -1.348 -4.542 248 HA LEU 33 HA LEU 33 0.998 -0.461 -6.944 249 1HB LEU 33 2HB LEU 33 -1.077 -0.149 -8.190 250 2HB LEU 33 1HB LEU 33 -0.742 -1.843 -7.951 251 HG LEU 33 HG LEU 33 -2.499 -1.791 -6.102 252 1HD1 LEU 33 1HD1 LEU 33 -4.173 -0.026 -6.225 253 2HD1 LEU 33 2HD1 LEU 33 -3.177 0.853 -7.386 254 3HD1 LEU 33 3HD1 LEU 33 -2.604 0.607 -5.741 255 1HD2 LEU 33 1HD2 LEU 33 -4.337 -1.969 -7.691 256 2HD2 LEU 33 2HD2 LEU 33 -2.888 -2.779 -8.281 257 3HD2 LEU 33 3HD2 LEU 33 -3.344 -1.202 -8.931 258 H ARG 34 H ARG 34 0.642 1.443 -7.585 259 HA ARG 34 HA ARG 34 1.087 3.140 -5.340 260 1HB ARG 34 2HB ARG 34 2.578 2.990 -7.303 261 2HB ARG 34 1HB ARG 34 1.296 3.569 -8.329 262 1HG ARG 34 2HG ARG 34 2.584 5.215 -6.148 263 2HG ARG 34 1HG ARG 34 3.133 5.192 -7.817 264 1HD ARG 34 2HD ARG 34 0.746 5.902 -8.421 265 2HD ARG 34 1HD ARG 34 0.550 6.193 -6.690 266 HE ARG 34 HE ARG 34 2.848 7.495 -7.535 267 1HH1 ARG 34 1HH1 ARG 34 -0.679 7.729 -8.035 268 2HH1 ARG 34 2HH1 ARG 34 -0.600 9.430 -8.267 269 1HH2 ARG 34 1HH2 ARG 34 2.832 9.915 -7.919 270 2HH2 ARG 34 2HH2 ARG 34 1.290 10.590 -8.171 271 H PHE 35 H PHE 35 0.093 4.725 -4.799 272 HA PHE 35 HA PHE 35 -2.348 5.215 -6.041 273 1HB PHE 35 2HB PHE 35 -3.587 5.717 -3.857 274 2HB PHE 35 1HB PHE 35 -2.957 4.096 -4.056 275 HD1 PHE 35 1HD PHE 35 -0.487 3.797 -2.945 276 HD2 PHE 35 2HD PHE 35 -3.378 6.703 -1.828 277 HE1 PHE 35 1HE PHE 35 0.515 3.939 -0.707 278 HE2 PHE 35 2HE PHE 35 -2.366 6.854 0.396 279 HZ PHE 35 HZ PHE 35 -0.423 5.473 0.965 280 H ASP 36 H ASP 36 -3.106 7.868 -5.159 281 HA ASP 36 HA ASP 36 -0.652 9.163 -4.996 282 1HB ASP 36 2HB ASP 36 -2.164 10.004 -6.723 283 2HB ASP 36 1HB ASP 36 -3.476 10.147 -5.566 284 H TYR 37 H TYR 37 -0.025 9.752 -2.967 285 HA TYR 37 HA TYR 37 -2.010 9.920 -0.810 286 1HB TYR 37 2HB TYR 37 -0.251 8.130 -0.762 287 2HB TYR 37 1HB TYR 37 0.966 9.382 -0.812 288 HD1 TYR 37 1HD TYR 37 1.692 10.460 1.203 289 HD2 TYR 37 2HD TYR 37 -1.847 8.107 1.238 290 HE1 TYR 37 1HE TYR 37 1.594 10.654 3.647 291 HE2 TYR 37 2HE TYR 37 -1.958 8.294 3.678 292 HH TYR 37 HH TYR 37 -0.085 10.492 5.443 293 H THR 38 H THR 38 -2.058 11.936 0.393 294 HA THR 38 HA THR 38 -0.562 13.764 -1.134 295 HB THR 38 HB THR 38 -2.150 15.298 0.199 296 HG1 THR 38 1HG THR 38 -3.821 13.103 0.140 297 1HG2 THR 38 1HG2 THR 38 -3.830 14.902 -1.528 298 2HG2 THR 38 2HG2 THR 38 -3.101 13.340 -1.897 299 3HG2 THR 38 3HG2 THR 38 -2.211 14.829 -2.222 300 H GLY 39 H GLY 39 -0.837 13.143 2.406 301 1HA GLY 39 2HA GLY 39 1.592 12.962 3.303 302 2HA GLY 39 1HA GLY 39 1.764 14.538 2.544 303 H GLN 40 H GLN 40 -1.351 14.699 3.625 304 HA GLN 40 HA GLN 40 -0.639 14.759 6.341 305 1HB GLN 40 2HB GLN 40 -0.618 17.108 5.635 306 2HB GLN 40 1HB GLN 40 -2.174 16.921 4.843 307 1HG GLN 40 2HG GLN 40 -2.440 18.122 6.926 308 2HG GLN 40 1HG GLN 40 -3.241 16.561 7.016 309 1HE2 GLN 40 1HE2 GLN 40 -2.366 18.287 9.155 310 2HE2 GLN 40 2HE2 GLN 40 -1.322 17.350 10.149 311 H GLY 41 H GLY 41 -2.375 13.329 7.301 312 1HA GLY 41 2HA GLY 41 -4.665 12.924 7.591 313 2HA GLY 41 1HA GLY 41 -4.977 13.841 6.139 314 H GLY 42 H GLY 42 -2.997 10.858 6.593 315 1HA GLY 42 2HA GLY 42 -4.650 9.734 4.414 316 2HA GLY 42 1HA GLY 42 -2.923 9.460 4.566 317 H ASN 43 H ASN 43 -3.134 7.181 4.561 318 HA ASN 43 HA ASN 43 -4.563 5.712 6.702 319 1HB ASN 43 2HB ASN 43 -4.831 4.061 4.994 320 2HB ASN 43 1HB ASN 43 -5.509 5.549 4.350 321 1HD2 ASN 43 1HD2 ASN 43 -4.552 3.237 2.902 322 2HD2 ASN 43 2HD2 ASN 43 -3.218 3.781 1.920 323 H GLU 44 H GLU 44 -3.577 3.746 7.176 324 HA GLU 44 HA GLU 44 -0.757 4.021 7.716 325 1HB GLU 44 2HB GLU 44 -2.700 1.807 8.352 326 2HB GLU 44 1HB GLU 44 -1.085 2.012 9.009 327 1HG GLU 44 2HG GLU 44 -3.460 3.793 9.456 328 2HG GLU 44 1HG GLU 44 -2.698 2.723 10.632 329 H ASN 45 H ASN 45 -2.717 2.420 5.390 330 HA ASN 45 HA ASN 45 -0.644 0.540 4.562 331 1HB ASN 45 2HB ASN 45 -3.096 -0.055 4.381 332 2HB ASN 45 1HB ASN 45 -3.328 1.320 3.323 333 1HD2 ASN 45 1HD2 ASN 45 -4.289 -0.294 1.982 334 2HD2 ASN 45 2HD2 ASN 45 -3.318 -1.241 0.917 335 H ASN 46 H ASN 46 0.889 1.841 4.368 336 HA ASN 46 HA ASN 46 0.961 3.649 2.082 337 1HB ASN 46 2HB ASN 46 0.350 4.945 4.106 338 2HB ASN 46 1HB ASN 46 1.796 4.347 4.898 339 1HD2 ASN 46 1HD2 ASN 46 1.012 7.001 4.449 340 2HD2 ASN 46 2HD2 ASN 46 2.241 7.774 3.528 341 H PHE 47 H PHE 47 2.561 2.652 0.952 342 HA PHE 47 HA PHE 47 4.869 1.995 2.514 343 1HB PHE 47 2HB PHE 47 3.926 0.783 -0.075 344 2HB PHE 47 1HB PHE 47 5.478 0.402 0.667 345 HD1 PHE 47 1HD PHE 47 5.485 -0.615 2.968 346 HD2 PHE 47 2HD PHE 47 1.937 -0.227 0.659 347 HE1 PHE 47 1HE PHE 47 4.376 -2.285 4.385 348 HE2 PHE 47 2HE PHE 47 0.825 -1.897 2.075 349 HZ PHE 47 HZ PHE 47 2.044 -2.926 3.938 350 H ARG 48 H ARG 48 6.816 2.751 1.662 351 HA ARG 48 HA ARG 48 6.749 4.923 -0.396 352 1HB ARG 48 2HB ARG 48 7.684 5.462 1.868 353 2HB ARG 48 1HB ARG 48 8.922 4.243 1.587 354 1HG ARG 48 2HG ARG 48 10.032 6.156 0.952 355 2HG ARG 48 1HG ARG 48 9.400 5.592 -0.586 356 1HD ARG 48 2HD ARG 48 8.859 7.883 -0.658 357 2HD ARG 48 1HD ARG 48 7.379 7.217 -0.029 358 HE ARG 48 HE ARG 48 8.578 7.699 2.236 359 1HH1 ARG 48 1HH1 ARG 48 8.551 9.686 -0.677 360 2HH1 ARG 48 2HH1 ARG 48 8.782 11.163 0.128 361 1HH2 ARG 48 1HH2 ARG 48 8.911 9.744 3.402 362 2HH2 ARG 48 2HH2 ARG 48 8.973 11.187 2.533 363 H ARG 49 H ARG 49 7.689 1.512 0.002 364 HA ARG 49 HA ARG 49 9.400 1.920 -2.224 365 1HB ARG 49 2HB ARG 49 10.750 1.769 -0.186 366 2HB ARG 49 1HB ARG 49 9.966 0.258 0.244 367 1HG ARG 49 2HG ARG 49 11.010 -0.858 -1.618 368 2HG ARG 49 1HG ARG 49 11.698 0.664 -2.186 369 1HD ARG 49 2HD ARG 49 12.944 0.842 -0.050 370 2HD ARG 49 1HD ARG 49 12.318 -0.736 0.415 371 HE ARG 49 HE ARG 49 13.500 -1.512 -1.731 372 1HH1 ARG 49 1HH1 ARG 49 14.714 1.071 0.383 373 2HH1 ARG 49 2HH1 ARG 49 16.329 0.903 -0.092 374 1HH2 ARG 49 1HH2 ARG 49 15.707 -1.825 -2.317 375 2HH2 ARG 49 2HH2 ARG 49 16.923 -0.810 -1.671 376 H THR 50 H THR 50 9.185 0.269 -3.735 377 HA THR 50 HA THR 50 6.777 -1.109 -3.900 378 HB THR 50 HB THR 50 9.232 -1.627 -5.576 379 HG1 THR 50 1HG THR 50 7.381 0.568 -5.755 380 1HG2 THR 50 1HG2 THR 50 7.198 -2.940 -6.090 381 2HG2 THR 50 2HG2 THR 50 7.565 -1.794 -7.376 382 3HG2 THR 50 3HG2 THR 50 6.275 -1.445 -6.224 383 H TYR 51 H TYR 51 9.960 -2.252 -2.842 384 HA TYR 51 HA TYR 51 9.140 -4.985 -2.889 385 1HB TYR 51 2HB TYR 51 11.512 -4.519 -3.076 386 2HB TYR 51 1HB TYR 51 11.514 -3.669 -1.536 387 HD1 TYR 51 1HD TYR 51 12.259 -4.800 0.338 388 HD2 TYR 51 2HD TYR 51 10.740 -7.049 -2.937 389 HE1 TYR 51 1HE TYR 51 12.823 -6.881 1.511 390 HE2 TYR 51 2HE TYR 51 11.301 -9.134 -1.776 391 HH TYR 51 HH TYR 51 12.838 -9.880 -0.038 392 H ASP 52 H ASP 52 9.331 -2.462 -0.467 393 HA ASP 52 HA ASP 52 8.758 -4.065 1.812 394 1HB ASP 52 2HB ASP 52 8.223 -1.141 1.314 395 2HB ASP 52 1HB ASP 52 7.681 -1.915 2.798 396 H CYS 53 H CYS 53 6.451 -2.436 -0.301 397 HA CYS 53 HA CYS 53 4.127 -3.344 1.046 398 1HB CYS 53 2HB CYS 53 2.914 -3.056 -1.087 399 2HB CYS 53 1HB CYS 53 3.897 -1.676 -0.645 400 H GLN 54 H GLN 54 5.644 -4.564 -1.463 401 HA GLN 54 HA GLN 54 4.308 -7.076 -1.887 402 1HB GLN 54 2HB GLN 54 5.435 -6.305 -3.749 403 2HB GLN 54 1HB GLN 54 7.037 -6.470 -2.987 404 1HG GLN 54 2HG GLN 54 6.808 -8.861 -3.093 405 2HG GLN 54 1HG GLN 54 5.137 -8.712 -3.643 406 1HE2 GLN 54 1HE2 GLN 54 4.733 -8.034 -5.724 407 2HE2 GLN 54 2HE2 GLN 54 5.923 -8.079 -6.970 408 H ARG 55 H ARG 55 7.197 -6.639 -0.152 409 HA ARG 55 HA ARG 55 7.551 -9.417 0.724 410 1HB ARG 55 2HB ARG 55 9.298 -7.572 0.824 411 2HB ARG 55 1HB ARG 55 8.321 -6.815 2.063 412 1HG ARG 55 2HG ARG 55 8.646 -8.850 3.461 413 2HG ARG 55 1HG ARG 55 9.773 -9.436 2.229 414 1HD ARG 55 2HD ARG 55 10.995 -7.270 2.450 415 2HD ARG 55 1HD ARG 55 9.977 -6.914 3.835 416 HE ARG 55 HE ARG 55 11.197 -9.398 4.226 417 1HH1 ARG 55 1HH1 ARG 55 11.924 -5.944 4.180 418 2HH1 ARG 55 2HH1 ARG 55 13.350 -6.061 5.094 419 1HH2 ARG 55 1HH2 ARG 55 13.155 -9.610 5.407 420 2HH2 ARG 55 2HH2 ARG 55 14.107 -8.235 5.809 421 H THR 56 H THR 56 5.976 -6.566 2.473 422 HA THR 56 HA THR 56 5.354 -8.543 4.336 423 HB THR 56 HB THR 56 5.701 -6.236 5.070 424 HG1 THR 56 1HG THR 56 3.647 -7.803 5.803 425 1HG2 THR 56 1HG2 THR 56 3.067 -5.650 3.713 426 2HG2 THR 56 2HG2 THR 56 4.649 -5.059 3.205 427 3HG2 THR 56 3HG2 THR 56 3.965 -4.536 4.747 428 H CYS 57 H CYS 57 3.473 -7.315 1.622 429 HA CYS 57 HA CYS 57 1.159 -8.738 2.693 430 1HB CYS 57 2HB CYS 57 1.247 -6.750 0.446 431 2HB CYS 57 1HB CYS 57 -0.185 -7.452 1.181 432 H LEU 58 H LEU 58 3.499 -9.262 0.204 433 HA LEU 58 HA LEU 58 1.568 -10.982 -1.119 434 1HB LEU 58 2HB LEU 58 2.771 -9.421 -2.573 435 2HB LEU 58 1HB LEU 58 4.290 -10.158 -2.113 436 HG LEU 58 HG LEU 58 3.497 -12.297 -3.137 437 1HD1 LEU 58 1HD1 LEU 58 1.604 -12.227 -4.671 438 2HD1 LEU 58 2HD1 LEU 58 1.241 -10.585 -4.147 439 3HD1 LEU 58 3HD1 LEU 58 1.114 -11.925 -3.003 440 1HD2 LEU 58 1HD2 LEU 58 4.969 -10.791 -4.358 441 2HD2 LEU 58 2HD2 LEU 58 3.571 -9.904 -4.967 442 3HD2 LEU 58 3HD2 LEU 58 3.835 -11.582 -5.452 443 H TYR 59 H TYR 59 4.316 -11.159 0.933 444 HA TYR 59 HA TYR 59 4.810 -13.875 0.116 445 1HB TYR 59 2HB TYR 59 6.458 -12.020 1.842 446 2HB TYR 59 1HB TYR 59 6.827 -13.727 1.651 447 HD1 TYR 59 1HD TYR 59 8.011 -14.494 -0.206 448 HD2 TYR 59 2HD TYR 59 6.486 -10.539 -0.232 449 HE1 TYR 59 1HE TYR 59 9.271 -14.032 -2.253 450 HE2 TYR 59 2HE TYR 59 7.744 -10.057 -2.278 451 HH TYR 59 HH TYR 59 9.592 -10.841 -3.541 452 H THR 60 H THR 60 2.827 -14.700 1.089 453 HA THR 60 HA THR 60 2.940 -15.020 3.863 454 HB THR 60 HB THR 60 1.811 -12.840 3.724 455 HG1 THR 60 1HG THR 60 -0.467 -13.892 4.309 456 1HG2 THR 60 1HG2 THR 60 -0.347 -12.570 2.541 457 2HG2 THR 60 2HG2 THR 60 -0.161 -14.190 1.870 458 3HG2 THR 60 3HG2 THR 60 0.980 -12.921 1.430 Start of MODEL 13 1 1H LYS 1 1HT LYS 1 -1.427 -12.469 8.246 2 2H LYS 1 2HT LYS 1 -1.042 -13.163 9.719 3 3H LYS 1 3HT LYS 1 -2.359 -13.756 8.846 4 HA LYS 1 HA LYS 1 0.492 -13.784 8.150 5 1HB LYS 1 2HB LYS 1 0.406 -16.269 8.370 6 2HB LYS 1 1HB LYS 1 0.087 -15.430 9.875 7 1HG LYS 1 2HG LYS 1 -2.286 -15.874 9.651 8 2HG LYS 1 1HG LYS 1 -2.014 -16.628 8.077 9 1HD LYS 1 2HD LYS 1 -2.264 -18.322 9.818 10 2HD LYS 1 1HD LYS 1 -0.629 -18.355 9.155 11 1HE LYS 1 2HE LYS 1 0.117 -16.987 11.084 12 2HE LYS 1 1HE LYS 1 -1.509 -17.097 11.755 13 1HZ LYS 1 1HZ LYS 1 0.363 -19.338 11.249 14 2HZ LYS 1 2HZ LYS 1 -1.226 -19.551 11.746 15 3HZ LYS 1 3HZ LYS 1 -0.112 -18.738 12.761 16 H ASP 2 H ASP 2 -2.782 -14.425 6.962 17 HA ASP 2 HA ASP 2 -1.902 -15.375 4.421 18 1HB ASP 2 2HB ASP 2 -4.255 -15.605 5.271 19 2HB ASP 2 1HB ASP 2 -4.443 -13.859 5.152 20 H ARG 3 H ARG 3 -2.493 -12.379 6.028 21 HA ARG 3 HA ARG 3 -0.410 -11.015 4.892 22 1HB ARG 3 2HB ARG 3 -1.483 -9.340 3.548 23 2HB ARG 3 1HB ARG 3 -2.220 -10.824 2.988 24 1HG ARG 3 2HG ARG 3 -3.445 -8.827 4.896 25 2HG ARG 3 1HG ARG 3 -3.844 -9.015 3.193 26 1HD ARG 3 2HD ARG 3 -4.746 -11.204 3.615 27 2HD ARG 3 1HD ARG 3 -4.211 -11.140 5.295 28 HE ARG 3 HE ARG 3 -6.347 -9.589 4.059 29 1HH1 ARG 3 1HH1 ARG 3 -4.583 -10.526 7.017 30 2HH1 ARG 3 2HH1 ARG 3 -5.854 -10.209 8.089 31 1HH2 ARG 3 1HH2 ARG 3 -8.124 -9.087 5.553 32 2HH2 ARG 3 2HH2 ARG 3 -7.918 -9.312 7.243 33 HA PRO 4 HA PRO 4 -1.619 -8.680 8.773 34 1HB PRO 4 2HB PRO 4 -0.697 -6.324 7.249 35 2HB PRO 4 1HB PRO 4 -0.123 -6.933 8.804 36 1HG PRO 4 2HG PRO 4 1.407 -7.113 6.658 37 2HG PRO 4 1HG PRO 4 1.325 -8.467 7.803 38 1HD PRO 4 2HD PRO 4 -0.030 -8.137 5.159 39 2HD PRO 4 1HD PRO 4 0.786 -9.562 5.838 40 H SER 5 H SER 5 -3.495 -7.638 9.283 41 HA SER 5 HA SER 5 -5.542 -7.328 7.542 42 1HB SER 5 2HB SER 5 -5.180 -6.010 10.219 43 2HB SER 5 1HB SER 5 -6.721 -6.233 9.387 44 HG SER 5 HG SER 5 -6.708 -8.264 9.824 45 H LEU 6 H LEU 6 -2.890 -5.130 7.946 46 HA LEU 6 HA LEU 6 -4.390 -2.780 7.302 47 1HB LEU 6 2HB LEU 6 -2.123 -1.732 7.451 48 2HB LEU 6 1HB LEU 6 -2.746 -2.416 8.928 49 HG LEU 6 HG LEU 6 -1.242 -4.412 8.512 50 1HD1 LEU 6 1HD1 LEU 6 0.682 -4.117 7.060 51 2HD1 LEU 6 2HD1 LEU 6 0.021 -2.591 6.474 52 3HD1 LEU 6 3HD1 LEU 6 -0.822 -4.104 6.138 53 1HD2 LEU 6 1HD2 LEU 6 0.033 -1.716 8.897 54 2HD2 LEU 6 2HD2 LEU 6 0.741 -3.265 9.349 55 3HD2 LEU 6 3HD2 LEU 6 -0.731 -2.704 10.142 56 H CYS 7 H CYS 7 -3.217 -5.290 5.640 57 HA CYS 7 HA CYS 7 -2.450 -3.829 3.274 58 1HB CYS 7 2HB CYS 7 -3.152 -6.751 3.591 59 2HB CYS 7 1HB CYS 7 -2.362 -6.029 2.190 60 H ASP 8 H ASP 8 -5.259 -4.897 4.724 61 HA ASP 8 HA ASP 8 -7.021 -4.669 2.413 62 1HB ASP 8 2HB ASP 8 -7.236 -6.599 4.065 63 2HB ASP 8 1HB ASP 8 -7.751 -5.424 5.269 64 H LEU 9 H LEU 9 -5.685 -2.358 3.182 65 HA LEU 9 HA LEU 9 -6.466 -0.965 5.502 66 1HB LEU 9 2HB LEU 9 -4.981 0.691 4.650 67 2HB LEU 9 1HB LEU 9 -4.232 -0.874 4.401 68 HG LEU 9 HG LEU 9 -5.760 0.409 2.147 69 1HD1 LEU 9 1HD1 LEU 9 -4.250 2.135 2.917 70 2HD1 LEU 9 2HD1 LEU 9 -3.707 1.463 1.380 71 3HD1 LEU 9 3HD1 LEU 9 -2.909 0.991 2.881 72 1HD2 LEU 9 1HD2 LEU 9 -3.344 -1.380 2.252 73 2HD2 LEU 9 2HD2 LEU 9 -4.145 -0.799 0.789 74 3HD2 LEU 9 3HD2 LEU 9 -4.997 -1.884 1.893 75 HA PRO 10 HA PRO 10 -9.341 1.598 3.368 76 1HB PRO 10 2HB PRO 10 -8.180 4.051 4.484 77 2HB PRO 10 1HB PRO 10 -9.773 3.339 4.766 78 1HG PRO 10 2HG PRO 10 -7.807 3.366 6.641 79 2HG PRO 10 1HG PRO 10 -9.044 2.097 6.547 80 1HD PRO 10 2HD PRO 10 -6.216 2.060 5.605 81 2HD PRO 10 1HD PRO 10 -7.168 0.775 6.377 82 H ALA 11 H ALA 11 -8.905 1.572 1.337 83 HA ALA 11 HA ALA 11 -6.451 2.765 0.041 84 1HB ALA 11 1HB ALA 11 -9.049 1.570 -1.092 85 2HB ALA 11 2HB ALA 11 -7.482 0.771 -1.136 86 3HB ALA 11 3HB ALA 11 -7.759 2.225 -2.097 87 H ASP 12 H ASP 12 -6.621 4.562 0.969 88 HA ASP 12 HA ASP 12 -8.861 6.325 0.351 89 1HB ASP 12 2HB ASP 12 -9.016 5.719 2.750 90 2HB ASP 12 1HB ASP 12 -7.363 6.274 2.982 91 H SER 13 H SER 13 -8.533 8.490 -0.006 92 HA SER 13 HA SER 13 -5.894 8.839 -1.269 93 1HB SER 13 2HB SER 13 -7.289 10.728 -2.355 94 2HB SER 13 1HB SER 13 -7.510 9.057 -2.888 95 HG SER 13 HG SER 13 -9.170 10.691 -1.351 96 H GLY 14 H GLY 14 -7.569 10.236 1.403 97 1HA GLY 14 2HA GLY 14 -6.180 11.268 3.021 98 2HA GLY 14 1HA GLY 14 -5.022 11.628 1.756 99 H SER 15 H SER 15 -5.398 13.618 3.416 100 HA SER 15 HA SER 15 -7.467 15.277 2.249 101 1HB SER 15 2HB SER 15 -7.600 16.361 4.528 102 2HB SER 15 1HB SER 15 -8.260 14.735 4.358 103 HG SER 15 HG SER 15 -7.025 14.262 5.924 104 H GLY 16 H GLY 16 -4.304 15.061 1.889 105 1HA GLY 16 2HA GLY 16 -3.374 17.384 3.296 106 2HA GLY 16 1HA GLY 16 -2.428 16.228 2.388 107 H THR 17 H THR 17 -1.696 18.520 2.142 108 HA THR 17 HA THR 17 -2.807 19.950 -0.259 109 HB THR 17 HB THR 17 -0.666 20.849 1.673 110 HG1 THR 17 1HG THR 17 -2.573 20.641 2.880 111 1HG2 THR 17 1HG2 THR 17 -2.448 22.373 -0.257 112 2HG2 THR 17 2HG2 THR 17 -0.737 22.024 -0.509 113 3HG2 THR 17 3HG2 THR 17 -1.237 23.086 0.809 114 H LYS 18 H LYS 18 -0.307 17.614 0.291 115 HA LYS 18 HA LYS 18 1.609 18.682 -1.738 116 1HB LYS 18 2HB LYS 18 2.346 18.384 0.686 117 2HB LYS 18 1HB LYS 18 1.765 16.738 0.585 118 1HG LYS 18 2HG LYS 18 3.428 16.314 -1.195 119 2HG LYS 18 1HG LYS 18 4.033 17.957 -0.972 120 1HD LYS 18 2HD LYS 18 4.599 17.481 1.327 121 2HD LYS 18 1HD LYS 18 3.895 15.870 1.200 122 1HE LYS 18 2HE LYS 18 5.552 15.279 -0.488 123 2HE LYS 18 1HE LYS 18 6.250 16.895 -0.368 124 1HZ LYS 18 1HZ LYS 18 6.117 14.921 1.856 125 2HZ LYS 18 2HZ LYS 18 6.830 16.438 1.927 126 3HZ LYS 18 3HZ LYS 18 7.478 15.259 0.912 127 H ALA 19 H ALA 19 2.517 17.049 -3.039 128 HA ALA 19 HA ALA 19 0.781 14.657 -3.410 129 1HB ALA 19 1HB ALA 19 1.508 14.648 -5.729 130 2HB ALA 19 2HB ALA 19 2.524 16.061 -5.447 131 3HB ALA 19 3HB ALA 19 0.768 16.207 -5.372 132 H GLU 20 H GLU 20 1.617 12.793 -3.005 133 HA GLU 20 HA GLU 20 4.455 12.617 -2.870 134 1HB GLU 20 2HB GLU 20 3.770 13.102 -0.657 135 2HB GLU 20 1HB GLU 20 2.433 11.977 -0.738 136 1HG GLU 20 2HG GLU 20 4.090 11.103 0.698 137 2HG GLU 20 1HG GLU 20 4.060 10.127 -0.761 138 H LYS 21 H LYS 21 5.000 10.620 -3.885 139 HA LYS 21 HA LYS 21 2.794 8.838 -4.851 140 1HB LYS 21 2HB LYS 21 4.297 10.161 -6.467 141 2HB LYS 21 1HB LYS 21 5.646 9.270 -5.807 142 1HG LYS 21 2HG LYS 21 3.314 7.910 -7.141 143 2HG LYS 21 1HG LYS 21 4.685 8.533 -8.042 144 1HD LYS 21 2HD LYS 21 4.865 6.478 -5.833 145 2HD LYS 21 1HD LYS 21 4.796 6.096 -7.553 146 1HE LYS 21 2HE LYS 21 6.872 7.402 -7.874 147 2HE LYS 21 1HE LYS 21 6.946 7.659 -6.129 148 1HZ LYS 21 1HZ LYS 21 6.926 5.010 -7.449 149 2HZ LYS 21 2HZ LYS 21 7.195 5.281 -5.796 150 3HZ LYS 21 3HZ LYS 21 8.319 5.793 -6.953 151 H ARG 22 H ARG 22 2.354 7.321 -3.378 152 HA ARG 22 HA ARG 22 4.769 5.938 -2.929 153 1HB ARG 22 2HB ARG 22 2.680 6.411 -0.830 154 2HB ARG 22 1HB ARG 22 3.994 5.256 -0.617 155 1HG ARG 22 2HG ARG 22 5.542 7.190 -1.188 156 2HG ARG 22 1HG ARG 22 4.144 8.223 -0.938 157 1HD ARG 22 2HD ARG 22 3.953 7.049 1.347 158 2HD ARG 22 1HD ARG 22 5.569 6.471 0.998 159 HE ARG 22 HE ARG 22 5.870 9.035 0.503 160 1HH1 ARG 22 1HH1 ARG 22 4.690 7.302 3.316 161 2HH1 ARG 22 2HH1 ARG 22 4.868 8.625 4.392 162 1HH2 ARG 22 1HH2 ARG 22 6.101 10.850 1.912 163 2HH2 ARG 22 2HH2 ARG 22 5.688 10.729 3.560 164 H ILE 23 H ILE 23 3.619 3.445 -1.518 165 HA ILE 23 HA ILE 23 1.696 2.674 -3.562 166 HB ILE 23 HB ILE 23 3.971 1.951 -4.353 167 1HG1 ILE 23 2HG1 ILE 23 2.363 -0.439 -3.473 168 2HG1 ILE 23 1HG1 ILE 23 1.950 0.573 -4.851 169 1HG2 ILE 23 1HG2 ILE 23 5.099 1.647 -2.196 170 2HG2 ILE 23 2HG2 ILE 23 5.166 0.171 -3.185 171 3HG2 ILE 23 3HG2 ILE 23 4.029 0.272 -1.863 172 1HD1 ILE 23 1HD1 ILE 23 3.091 -1.440 -5.557 173 2HD1 ILE 23 2HD1 ILE 23 4.467 -1.043 -4.527 174 3HD1 ILE 23 3HD1 ILE 23 4.078 -0.019 -5.910 175 H TYR 24 H TYR 24 0.247 0.975 -2.852 176 HA TYR 24 HA TYR 24 0.544 0.148 -0.062 177 1HB TYR 24 2HB TYR 24 -1.778 0.636 0.446 178 2HB TYR 24 1HB TYR 24 -1.047 2.114 -0.137 179 HD1 TYR 24 1HD TYR 24 -3.818 -0.006 -0.328 180 HD2 TYR 24 2HD TYR 24 -1.518 2.599 -2.740 181 HE1 TYR 24 1HE TYR 24 -5.725 0.251 -1.841 182 HE2 TYR 24 2HE TYR 24 -3.439 2.844 -4.282 183 HH TYR 24 HH TYR 24 -5.488 1.780 -4.915 184 H TYR 25 H TYR 25 -1.028 -1.880 0.313 185 HA TYR 25 HA TYR 25 -0.751 -3.432 -1.906 186 1HB TYR 25 2HB TYR 25 -0.386 -4.207 0.298 187 2HB TYR 25 1HB TYR 25 -2.045 -3.853 0.755 188 HD1 TYR 25 1HD TYR 25 -0.035 -5.974 -1.579 189 HD2 TYR 25 2HD TYR 25 -3.652 -5.519 0.598 190 HE1 TYR 25 1HE TYR 25 -0.656 -8.298 -2.119 191 HE2 TYR 25 2HE TYR 25 -4.277 -7.818 0.069 192 HH TYR 25 HH TYR 25 -2.133 -10.073 -1.106 193 H ASN 26 H ASN 26 -2.548 -3.965 -3.372 194 HA ASN 26 HA ASN 26 -5.248 -3.089 -2.571 195 1HB ASN 26 2HB ASN 26 -4.398 -2.397 -4.869 196 2HB ASN 26 1HB ASN 26 -4.248 -4.104 -5.251 197 1HD2 ASN 26 1HD2 ASN 26 -5.992 -1.768 -6.230 198 2HD2 ASN 26 2HD2 ASN 26 -7.580 -2.417 -6.195 199 H SER 27 H SER 27 -6.420 -4.221 -1.695 200 HA SER 27 HA SER 27 -5.513 -6.732 -1.040 201 1HB SER 27 2HB SER 27 -6.635 -5.374 0.622 202 2HB SER 27 1HB SER 27 -8.138 -5.432 -0.290 203 HG SER 27 HG SER 27 -8.291 -6.826 1.350 204 H ALA 28 H ALA 28 -8.045 -5.668 -3.195 205 HA ALA 28 HA ALA 28 -9.241 -8.224 -3.549 206 1HB ALA 28 1HB ALA 28 -10.523 -7.150 -5.342 207 2HB ALA 28 2HB ALA 28 -9.500 -5.724 -5.201 208 3HB ALA 28 3HB ALA 28 -10.532 -6.208 -3.852 209 H ARG 29 H ARG 29 -6.990 -6.242 -5.174 210 HA ARG 29 HA ARG 29 -6.716 -8.061 -7.451 211 1HB ARG 29 2HB ARG 29 -5.234 -5.480 -6.958 212 2HB ARG 29 1HB ARG 29 -4.718 -6.582 -8.217 213 1HG ARG 29 2HG ARG 29 -6.061 -4.896 -9.239 214 2HG ARG 29 1HG ARG 29 -7.004 -6.383 -9.233 215 1HD ARG 29 2HD ARG 29 -8.245 -5.593 -7.292 216 2HD ARG 29 1HD ARG 29 -7.266 -4.128 -7.248 217 HE ARG 29 HE ARG 29 -9.407 -4.785 -9.104 218 1HH1 ARG 29 1HH1 ARG 29 -6.710 -2.573 -8.534 219 2HH1 ARG 29 2HH1 ARG 29 -7.514 -1.215 -9.177 220 1HH2 ARG 29 1HH2 ARG 29 -10.522 -2.872 -9.957 221 2HH2 ARG 29 2HH2 ARG 29 -9.714 -1.382 -9.967 222 H LYS 30 H LYS 30 -5.576 -8.045 -4.515 223 HA LYS 30 HA LYS 30 -3.830 -8.903 -3.267 224 1HB LYS 30 2HB LYS 30 -5.044 -10.917 -4.136 225 2HB LYS 30 1HB LYS 30 -3.970 -10.975 -5.512 226 1HG LYS 30 2HG LYS 30 -2.618 -11.169 -2.897 227 2HG LYS 30 1HG LYS 30 -3.743 -12.478 -3.247 228 1HD LYS 30 2HD LYS 30 -2.556 -12.921 -5.351 229 2HD LYS 30 1HD LYS 30 -1.450 -11.592 -5.002 230 1HE LYS 30 2HE LYS 30 -0.420 -13.718 -4.436 231 2HE LYS 30 1HE LYS 30 -0.689 -12.762 -2.983 232 1HZ LYS 30 1HZ LYS 30 -1.268 -15.123 -2.711 233 2HZ LYS 30 2HZ LYS 30 -2.433 -14.991 -3.909 234 3HZ LYS 30 3HZ LYS 30 -2.619 -14.153 -2.463 235 H GLN 31 H GLN 31 -3.136 -7.140 -4.890 236 HA GLN 31 HA GLN 31 -0.074 -7.265 -5.323 237 1HB GLN 31 2HB GLN 31 -0.063 -6.424 -7.518 238 2HB GLN 31 1HB GLN 31 -1.160 -7.792 -7.516 239 1HG GLN 31 2HG GLN 31 -3.051 -6.211 -7.414 240 2HG GLN 31 1HG GLN 31 -1.902 -4.881 -7.518 241 1HE2 GLN 31 1HE2 GLN 31 -0.776 -4.567 -9.444 242 2HE2 GLN 31 2HE2 GLN 31 -1.325 -5.210 -10.943 243 H CYS 32 H CYS 32 1.293 -5.394 -5.074 244 HA CYS 32 HA CYS 32 -0.373 -3.808 -3.715 245 1HB CYS 32 2HB CYS 32 1.837 -2.599 -2.952 246 2HB CYS 32 1HB CYS 32 1.415 -4.195 -2.356 247 H LEU 33 H LEU 33 -0.550 -1.415 -4.450 248 HA LEU 33 HA LEU 33 0.749 -0.524 -6.934 249 1HB LEU 33 2HB LEU 33 -1.438 -0.097 -7.958 250 2HB LEU 33 1HB LEU 33 -1.105 -1.801 -7.834 251 HG LEU 33 HG LEU 33 -2.664 -1.830 -5.827 252 1HD1 LEU 33 1HD1 LEU 33 -2.676 0.540 -5.334 253 2HD1 LEU 33 2HD1 LEU 33 -4.305 -0.046 -5.687 254 3HD1 LEU 33 3HD1 LEU 33 -3.411 0.871 -6.898 255 1HD2 LEU 33 1HD2 LEU 33 -3.764 -1.070 -8.515 256 2HD2 LEU 33 2HD2 LEU 33 -4.656 -1.879 -7.225 257 3HD2 LEU 33 3HD2 LEU 33 -3.290 -2.686 -7.996 258 H ARG 34 H ARG 34 0.561 1.391 -7.473 259 HA ARG 34 HA ARG 34 1.173 2.978 -5.204 260 1HB ARG 34 2HB ARG 34 2.513 2.863 -7.290 261 2HB ARG 34 1HB ARG 34 1.195 3.598 -8.169 262 1HG ARG 34 2HG ARG 34 2.681 4.980 -5.940 263 2HG ARG 34 1HG ARG 34 3.171 5.061 -7.623 264 1HD ARG 34 2HD ARG 34 0.532 5.994 -6.497 265 2HD ARG 34 1HD ARG 34 1.897 7.029 -6.871 266 HE ARG 34 HE ARG 34 1.589 5.967 -9.207 267 1HH1 ARG 34 1HH1 ARG 34 -0.854 7.122 -7.001 268 2HH1 ARG 34 2HH1 ARG 34 -2.067 7.430 -8.147 269 1HH2 ARG 34 1HH2 ARG 34 0.027 6.469 -10.887 270 2HH2 ARG 34 2HH2 ARG 34 -1.506 7.067 -10.486 271 H PHE 35 H PHE 35 0.244 4.712 -4.511 272 HA PHE 35 HA PHE 35 -2.208 5.178 -5.635 273 1HB PHE 35 2HB PHE 35 -3.320 5.939 -3.408 274 2HB PHE 35 1HB PHE 35 -2.772 4.283 -3.515 275 HD1 PHE 35 1HD PHE 35 -2.989 7.019 -1.451 276 HD2 PHE 35 2HD PHE 35 -0.202 4.007 -2.577 277 HE1 PHE 35 1HE PHE 35 -1.809 7.320 0.682 278 HE2 PHE 35 2HE PHE 35 0.990 4.309 -0.446 279 HZ PHE 35 HZ PHE 35 0.184 5.963 1.190 280 H ASP 36 H ASP 36 -2.878 7.892 -4.823 281 HA ASP 36 HA ASP 36 -0.362 9.219 -4.745 282 1HB ASP 36 2HB ASP 36 -1.838 9.843 -6.604 283 2HB ASP 36 1HB ASP 36 -3.113 10.257 -5.468 284 H TYR 37 H TYR 37 0.169 10.045 -2.852 285 HA TYR 37 HA TYR 37 -1.884 10.306 -0.757 286 1HB TYR 37 2HB TYR 37 -0.084 8.638 -0.420 287 2HB TYR 37 1HB TYR 37 1.116 9.868 -0.721 288 HD1 TYR 37 1HD TYR 37 2.257 10.459 1.192 289 HD2 TYR 37 2HD TYR 37 -1.894 9.595 1.512 290 HE1 TYR 37 1HE TYR 37 2.344 10.967 3.592 291 HE2 TYR 37 2HE TYR 37 -1.816 10.103 3.915 292 HH TYR 37 HH TYR 37 0.813 11.681 5.343 293 H THR 38 H THR 38 -2.218 12.429 0.182 294 HA THR 38 HA THR 38 -0.795 14.332 -1.287 295 HB THR 38 HB THR 38 -2.674 15.744 -0.095 296 HG1 THR 38 1HG THR 38 -4.207 13.453 -0.192 297 1HG2 THR 38 1HG2 THR 38 -2.556 15.288 -2.519 298 2HG2 THR 38 2HG2 THR 38 -4.214 15.171 -1.926 299 3HG2 THR 38 3HG2 THR 38 -3.288 13.705 -2.255 300 H GLY 39 H GLY 39 0.532 13.041 0.792 301 1HA GLY 39 2HA GLY 39 1.934 13.416 2.532 302 2HA GLY 39 1HA GLY 39 1.550 15.108 2.338 303 H GLN 40 H GLN 40 -1.529 14.329 3.209 304 HA GLN 40 HA GLN 40 -0.749 13.983 5.925 305 1HB GLN 40 2HB GLN 40 -1.000 16.373 5.560 306 2HB GLN 40 1HB GLN 40 -2.567 16.129 4.808 307 1HG GLN 40 2HG GLN 40 -2.860 16.966 7.037 308 2HG GLN 40 1HG GLN 40 -3.447 15.308 6.945 309 1HE2 GLN 40 1HE2 GLN 40 -3.242 14.870 9.059 310 2HE2 GLN 40 2HE2 GLN 40 -1.735 14.759 9.898 311 H GLY 41 H GLY 41 -2.509 12.675 6.991 312 1HA GLY 41 2HA GLY 41 -4.792 12.136 7.185 313 2HA GLY 41 1HA GLY 41 -5.053 12.865 5.618 314 H GLY 42 H GLY 42 -2.906 10.194 6.581 315 1HA GLY 42 2HA GLY 42 -4.192 8.749 4.372 316 2HA GLY 42 1HA GLY 42 -2.506 8.571 4.821 317 H ASN 43 H ASN 43 -2.716 6.430 4.920 318 HA ASN 43 HA ASN 43 -4.197 4.988 7.020 319 1HB ASN 43 2HB ASN 43 -4.015 3.237 5.197 320 2HB ASN 43 1HB ASN 43 -5.182 4.506 4.854 321 1HD2 ASN 43 1HD2 ASN 43 -5.072 4.186 2.641 322 2HD2 ASN 43 2HD2 ASN 43 -3.691 4.621 1.678 323 H GLU 44 H GLU 44 -3.100 3.144 7.600 324 HA GLU 44 HA GLU 44 -0.300 3.629 8.282 325 1HB GLU 44 2HB GLU 44 -2.206 1.397 8.902 326 2HB GLU 44 1HB GLU 44 -0.590 1.601 9.567 327 1HG GLU 44 2HG GLU 44 -2.906 3.481 9.946 328 2HG GLU 44 1HG GLU 44 -2.293 2.335 11.136 329 H ASN 45 H ASN 45 -1.974 1.819 5.859 330 HA ASN 45 HA ASN 45 0.401 0.241 5.411 331 1HB ASN 45 2HB ASN 45 -1.903 -0.643 4.899 332 2HB ASN 45 1HB ASN 45 -2.045 0.570 3.644 333 1HD2 ASN 45 1HD2 ASN 45 -0.680 -2.416 4.566 334 2HD2 ASN 45 2HD2 ASN 45 -0.006 -2.887 3.045 335 H ASN 46 H ASN 46 1.986 1.495 4.862 336 HA ASN 46 HA ASN 46 1.650 3.470 2.708 337 1HB ASN 46 2HB ASN 46 1.248 4.613 4.885 338 2HB ASN 46 1HB ASN 46 2.821 4.085 5.441 339 1HD2 ASN 46 1HD2 ASN 46 1.726 6.752 5.220 340 2HD2 ASN 46 2HD2 ASN 46 2.770 7.654 4.192 341 H PHE 47 H PHE 47 3.133 2.729 1.265 342 HA PHE 47 HA PHE 47 5.609 1.983 2.484 343 1HB PHE 47 2HB PHE 47 4.406 0.794 0.002 344 2HB PHE 47 1HB PHE 47 6.007 0.383 0.634 345 HD1 PHE 47 1HD PHE 47 2.602 -0.428 0.723 346 HD2 PHE 47 2HD PHE 47 6.074 -0.239 3.160 347 HE1 PHE 47 1HE PHE 47 1.552 -1.932 2.343 348 HE2 PHE 47 2HE PHE 47 5.029 -1.754 4.777 349 HZ PHE 47 HZ PHE 47 2.759 -2.595 4.366 350 H ARG 48 H ARG 48 7.421 2.832 1.598 351 HA ARG 48 HA ARG 48 7.173 4.998 -0.465 352 1HB ARG 48 2HB ARG 48 8.089 5.485 1.815 353 2HB ARG 48 1HB ARG 48 9.398 4.375 1.485 354 1HG ARG 48 2HG ARG 48 10.434 6.319 0.901 355 2HG ARG 48 1HG ARG 48 9.661 5.985 -0.647 356 1HD ARG 48 2HD ARG 48 9.284 8.335 -0.016 357 2HD ARG 48 1HD ARG 48 7.760 7.488 0.022 358 HE ARG 48 HE ARG 48 8.209 7.220 2.501 359 1HH1 ARG 48 1HH1 ARG 48 9.325 10.098 0.684 360 2HH1 ARG 48 2HH1 ARG 48 9.430 11.040 2.098 361 1HH2 ARG 48 1HH2 ARG 48 8.333 8.592 4.370 362 2HH2 ARG 48 2HH2 ARG 48 8.827 10.197 4.216 363 H ARG 49 H ARG 49 8.108 1.637 -0.156 364 HA ARG 49 HA ARG 49 9.767 1.962 -2.450 365 1HB ARG 49 2HB ARG 49 11.133 1.882 -0.417 366 2HB ARG 49 1HB ARG 49 10.352 0.389 0.055 367 1HG ARG 49 2HG ARG 49 11.341 -0.695 -1.933 368 2HG ARG 49 1HG ARG 49 12.189 0.812 -2.287 369 1HD ARG 49 2HD ARG 49 12.452 -0.831 0.231 370 2HD ARG 49 1HD ARG 49 13.637 -0.736 -1.069 371 HE ARG 49 HE ARG 49 14.105 1.495 -0.458 372 1HH1 ARG 49 1HH1 ARG 49 11.842 -0.062 1.813 373 2HH1 ARG 49 2HH1 ARG 49 12.226 0.948 3.122 374 1HH2 ARG 49 1HH2 ARG 49 14.642 2.892 1.399 375 2HH2 ARG 49 2HH2 ARG 49 13.852 2.634 2.886 376 H THR 50 H THR 50 9.677 0.064 -3.741 377 HA THR 50 HA THR 50 7.160 -1.207 -3.788 378 HB THR 50 HB THR 50 8.278 -0.455 -5.823 379 HG1 THR 50 1HG THR 50 8.146 -2.526 -7.014 380 1HG2 THR 50 1HG2 THR 50 10.247 -2.694 -5.329 381 2HG2 THR 50 2HG2 THR 50 10.590 -0.963 -5.263 382 3HG2 THR 50 3HG2 THR 50 10.154 -1.717 -6.794 383 H TYR 51 H TYR 51 10.294 -2.493 -2.685 384 HA TYR 51 HA TYR 51 9.280 -5.222 -2.617 385 1HB TYR 51 2HB TYR 51 11.739 -4.704 -2.760 386 2HB TYR 51 1HB TYR 51 11.654 -4.055 -1.129 387 HD1 TYR 51 1HD TYR 51 12.130 -5.483 0.650 388 HD2 TYR 51 2HD TYR 51 10.925 -7.149 -3.070 389 HE1 TYR 51 1HE TYR 51 12.555 -7.740 1.523 390 HE2 TYR 51 2HE TYR 51 11.347 -9.405 -2.208 391 HH TYR 51 HH TYR 51 12.604 -10.489 -0.524 392 H ASP 52 H ASP 52 9.319 -2.509 -0.543 393 HA ASP 52 HA ASP 52 8.754 -3.858 1.887 394 1HB ASP 52 2HB ASP 52 8.168 -1.041 0.996 395 2HB ASP 52 1HB ASP 52 7.658 -1.630 2.573 396 H CYS 53 H CYS 53 6.444 -2.465 -0.411 397 HA CYS 53 HA CYS 53 4.123 -3.354 0.962 398 1HB CYS 53 2HB CYS 53 2.919 -3.171 -1.166 399 2HB CYS 53 1HB CYS 53 3.938 -1.777 -0.872 400 H GLN 54 H GLN 54 5.734 -4.672 -1.435 401 HA GLN 54 HA GLN 54 4.591 -7.247 -1.806 402 1HB GLN 54 2HB GLN 54 5.994 -6.736 -3.495 403 2HB GLN 54 1HB GLN 54 7.455 -6.626 -2.469 404 1HG GLN 54 2HG GLN 54 7.153 -9.102 -2.115 405 2HG GLN 54 1HG GLN 54 5.873 -9.045 -3.323 406 1HE2 GLN 54 1HE2 GLN 54 6.954 -10.419 -4.704 407 2HE2 GLN 54 2HE2 GLN 54 8.356 -9.931 -5.587 408 H ARG 55 H ARG 55 7.287 -6.584 0.199 409 HA ARG 55 HA ARG 55 7.640 -9.262 1.238 410 1HB ARG 55 2HB ARG 55 9.444 -7.583 1.333 411 2HB ARG 55 1HB ARG 55 8.474 -6.608 2.424 412 1HG ARG 55 2HG ARG 55 8.536 -8.417 4.071 413 2HG ARG 55 1HG ARG 55 9.554 -9.355 2.974 414 1HD ARG 55 2HD ARG 55 11.213 -7.574 3.011 415 2HD ARG 55 1HD ARG 55 10.211 -6.660 4.126 416 HE ARG 55 HE ARG 55 10.833 -9.317 5.010 417 1HH1 ARG 55 1HH1 ARG 55 11.877 -5.921 5.075 418 2HH1 ARG 55 2HH1 ARG 55 12.872 -6.115 6.442 419 1HH2 ARG 55 1HH2 ARG 55 12.292 -9.582 6.836 420 2HH2 ARG 55 2HH2 ARG 55 13.115 -8.209 7.452 421 H THR 56 H THR 56 5.913 -6.371 2.716 422 HA THR 56 HA THR 56 5.252 -8.115 4.769 423 HB THR 56 HB THR 56 5.514 -5.713 5.138 424 HG1 THR 56 1HG THR 56 3.827 -7.171 6.311 425 1HG2 THR 56 1HG2 THR 56 3.767 -4.155 4.453 426 2HG2 THR 56 2HG2 THR 56 2.966 -5.453 3.570 427 3HG2 THR 56 3HG2 THR 56 4.563 -4.897 3.065 428 H CYS 57 H CYS 57 3.384 -7.159 1.856 429 HA CYS 57 HA CYS 57 1.108 -8.601 2.989 430 1HB CYS 57 2HB CYS 57 1.144 -6.734 0.636 431 2HB CYS 57 1HB CYS 57 -0.276 -7.480 1.347 432 H LEU 58 H LEU 58 3.504 -9.149 0.616 433 HA LEU 58 HA LEU 58 1.689 -10.938 -0.744 434 1HB LEU 58 2HB LEU 58 2.897 -9.379 -2.180 435 2HB LEU 58 1HB LEU 58 4.425 -10.042 -1.644 436 HG LEU 58 HG LEU 58 3.796 -12.218 -2.687 437 1HD1 LEU 58 1HD1 LEU 58 1.934 -12.287 -4.252 438 2HD1 LEU 58 2HD1 LEU 58 1.464 -10.658 -3.774 439 3HD1 LEU 58 3HD1 LEU 58 1.386 -11.981 -2.605 440 1HD2 LEU 58 1HD2 LEU 58 5.201 -10.668 -3.908 441 2HD2 LEU 58 2HD2 LEU 58 3.776 -9.815 -4.507 442 3HD2 LEU 58 3HD2 LEU 58 4.091 -11.472 -5.021 443 H TYR 59 H TYR 59 4.435 -10.978 1.403 444 HA TYR 59 HA TYR 59 4.975 -13.765 0.814 445 1HB TYR 59 2HB TYR 59 6.415 -11.822 2.634 446 2HB TYR 59 1HB TYR 59 6.792 -13.531 2.533 447 HD1 TYR 59 1HD TYR 59 8.267 -14.325 0.917 448 HD2 TYR 59 2HD TYR 59 6.719 -10.402 0.533 449 HE1 TYR 59 1HE TYR 59 9.858 -13.887 -0.900 450 HE2 TYR 59 2HE TYR 59 8.301 -9.946 -1.288 451 HH TYR 59 HH TYR 59 9.911 -12.331 -2.887 452 H THR 60 H THR 60 2.966 -14.247 1.356 453 HA THR 60 HA THR 60 2.318 -14.456 4.129 454 HB THR 60 HB THR 60 0.441 -14.281 2.659 455 HG1 THR 60 1HG THR 60 0.180 -15.662 4.394 456 1HG2 THR 60 1HG2 THR 60 -0.112 -15.931 0.906 457 2HG2 THR 60 2HG2 THR 60 1.420 -16.752 1.214 458 3HG2 THR 60 3HG2 THR 60 1.413 -15.108 0.575 Start of MODEL 14 1 1H LYS 1 1HT LYS 1 -3.450 -16.275 10.471 2 2H LYS 1 2HT LYS 1 -3.871 -17.189 9.117 3 3H LYS 1 3HT LYS 1 -5.071 -16.436 10.011 4 HA LYS 1 HA LYS 1 -4.296 -14.278 9.397 5 1HB LYS 1 2HB LYS 1 -2.097 -15.816 8.117 6 2HB LYS 1 1HB LYS 1 -2.623 -14.284 7.422 7 1HG LYS 1 2HG LYS 1 -1.627 -14.734 10.233 8 2HG LYS 1 1HG LYS 1 -0.784 -13.885 8.928 9 1HD LYS 1 2HD LYS 1 -2.587 -12.222 8.844 10 2HD LYS 1 1HD LYS 1 -3.426 -13.062 10.147 11 1HE LYS 1 2HE LYS 1 -1.452 -12.627 11.600 12 2HE LYS 1 1HE LYS 1 -0.758 -11.669 10.291 13 1HZ LYS 1 1HZ LYS 1 -2.747 -10.227 10.405 14 2HZ LYS 1 2HZ LYS 1 -1.887 -10.222 11.845 15 3HZ LYS 1 3HZ LYS 1 -3.315 -11.113 11.709 16 H ASP 2 H ASP 2 -5.891 -13.661 8.514 17 HA ASP 2 HA ASP 2 -6.658 -14.562 5.818 18 1HB ASP 2 2HB ASP 2 -8.291 -15.381 7.455 19 2HB ASP 2 1HB ASP 2 -8.454 -13.760 8.119 20 H ARG 3 H ARG 3 -5.840 -12.829 4.734 21 HA ARG 3 HA ARG 3 -5.402 -10.802 3.987 22 1HB ARG 3 2HB ARG 3 -7.571 -9.870 5.886 23 2HB ARG 3 1HB ARG 3 -6.617 -8.731 4.954 24 1HG ARG 3 2HG ARG 3 -8.530 -8.975 3.697 25 2HG ARG 3 1HG ARG 3 -7.402 -10.079 2.917 26 1HD ARG 3 2HD ARG 3 -9.552 -11.130 3.092 27 2HD ARG 3 1HD ARG 3 -8.432 -11.936 4.190 28 HE ARG 3 HE ARG 3 -9.717 -11.332 5.915 29 1HH1 ARG 3 1HH1 ARG 3 -10.724 -9.338 3.124 30 2HH1 ARG 3 2HH1 ARG 3 -11.909 -8.471 3.966 31 1HH2 ARG 3 1HH2 ARG 3 -11.379 -10.131 7.084 32 2HH2 ARG 3 2HH2 ARG 3 -12.314 -8.964 6.265 33 HA PRO 4 HA PRO 4 -1.891 -9.952 6.262 34 1HB PRO 4 2HB PRO 4 -2.056 -7.282 4.896 35 2HB PRO 4 1HB PRO 4 -0.668 -8.375 5.044 36 1HG PRO 4 2HG PRO 4 -2.031 -8.256 2.794 37 2HG PRO 4 1HG PRO 4 -1.521 -9.837 3.437 38 1HD PRO 4 2HD PRO 4 -4.223 -8.554 3.489 39 2HD PRO 4 1HD PRO 4 -3.789 -10.254 3.236 40 H SER 5 H SER 5 -1.249 -9.069 8.078 41 HA SER 5 HA SER 5 -2.642 -7.844 9.843 42 1HB SER 5 2HB SER 5 0.260 -7.189 9.430 43 2HB SER 5 1HB SER 5 -0.609 -7.100 10.966 44 HG SER 5 HG SER 5 0.378 -9.033 10.904 45 H LEU 6 H LEU 6 -0.472 -6.201 7.587 46 HA LEU 6 HA LEU 6 -1.874 -3.764 8.254 47 1HB LEU 6 2HB LEU 6 0.141 -2.459 7.463 48 2HB LEU 6 1HB LEU 6 0.243 -3.318 8.976 49 HG LEU 6 HG LEU 6 1.537 -5.105 7.737 50 1HD1 LEU 6 1HD1 LEU 6 0.869 -4.554 5.487 51 2HD1 LEU 6 2HD1 LEU 6 2.622 -4.417 5.667 52 3HD1 LEU 6 3HD1 LEU 6 1.619 -2.965 5.637 53 1HD2 LEU 6 1HD2 LEU 6 2.581 -3.484 9.206 54 2HD2 LEU 6 2HD2 LEU 6 2.680 -2.325 7.880 55 3HD2 LEU 6 3HD2 LEU 6 3.612 -3.823 7.818 56 H CYS 7 H CYS 7 -1.819 -5.863 5.913 57 HA CYS 7 HA CYS 7 -2.793 -3.752 4.204 58 1HB CYS 7 2HB CYS 7 -1.299 -6.147 3.127 59 2HB CYS 7 1HB CYS 7 -2.326 -5.161 2.088 60 H ASP 8 H ASP 8 -4.196 -5.060 6.021 61 HA ASP 8 HA ASP 8 -6.637 -5.539 4.428 62 1HB ASP 8 2HB ASP 8 -6.144 -6.996 6.457 63 2HB ASP 8 1HB ASP 8 -6.174 -5.550 7.451 64 H LEU 9 H LEU 9 -5.186 -3.136 4.266 65 HA LEU 9 HA LEU 9 -5.421 -1.267 6.326 66 1HB LEU 9 2HB LEU 9 -4.050 0.023 4.922 67 2HB LEU 9 1HB LEU 9 -3.487 -1.625 4.758 68 HG LEU 9 HG LEU 9 -5.367 -0.402 2.717 69 1HD1 LEU 9 1HD1 LEU 9 -3.453 1.043 2.824 70 2HD1 LEU 9 2HD1 LEU 9 -3.446 0.106 1.331 71 3HD1 LEU 9 3HD1 LEU 9 -2.376 -0.340 2.661 72 1HD2 LEU 9 1HD2 LEU 9 -4.421 -2.066 1.208 73 2HD2 LEU 9 2HD2 LEU 9 -5.106 -2.839 2.637 74 3HD2 LEU 9 3HD2 LEU 9 -3.361 -2.640 2.491 75 HA PRO 10 HA PRO 10 -8.661 0.831 4.215 76 1HB PRO 10 2HB PRO 10 -7.639 3.354 5.310 77 2HB PRO 10 1HB PRO 10 -9.178 2.552 5.634 78 1HG PRO 10 2HG PRO 10 -7.178 2.714 7.466 79 2HG PRO 10 1HG PRO 10 -8.342 1.376 7.412 80 1HD PRO 10 2HD PRO 10 -5.536 1.491 6.397 81 2HD PRO 10 1HD PRO 10 -6.392 0.163 7.214 82 H ALA 11 H ALA 11 -8.167 0.808 2.132 83 HA ALA 11 HA ALA 11 -5.722 2.155 0.906 84 1HB ALA 11 1HB ALA 11 -8.317 0.989 -0.280 85 2HB ALA 11 2HB ALA 11 -6.743 0.192 -0.366 86 3HB ALA 11 3HB ALA 11 -7.015 1.698 -1.237 87 H ASP 12 H ASP 12 -5.700 3.908 1.721 88 HA ASP 12 HA ASP 12 -7.870 5.789 1.138 89 1HB ASP 12 2HB ASP 12 -8.056 5.296 3.537 90 2HB ASP 12 1HB ASP 12 -6.357 5.699 3.753 91 H SER 13 H SER 13 -7.582 7.706 0.410 92 HA SER 13 HA SER 13 -4.895 8.093 -0.769 93 1HB SER 13 2HB SER 13 -6.082 9.601 -2.261 94 2HB SER 13 1HB SER 13 -6.805 7.991 -2.295 95 HG SER 13 HG SER 13 -7.762 10.383 -1.404 96 H GLY 14 H GLY 14 -6.798 9.471 1.708 97 1HA GLY 14 2HA GLY 14 -5.796 10.853 3.301 98 2HA GLY 14 1HA GLY 14 -4.539 11.234 2.141 99 H SER 15 H SER 15 -5.401 13.269 3.529 100 HA SER 15 HA SER 15 -7.590 14.619 2.081 101 1HB SER 15 2HB SER 15 -6.825 14.841 4.994 102 2HB SER 15 1HB SER 15 -8.144 15.679 4.185 103 HG SER 15 HG SER 15 -8.646 13.274 3.593 104 H GLY 16 H GLY 16 -4.545 14.635 1.710 105 1HA GLY 16 2HA GLY 16 -3.637 16.989 3.079 106 2HA GLY 16 1HA GLY 16 -2.688 15.877 2.123 107 H THR 17 H THR 17 -2.107 18.175 1.897 108 HA THR 17 HA THR 17 -3.303 19.550 -0.527 109 HB THR 17 HB THR 17 -2.946 20.877 1.653 110 HG1 THR 17 1HG THR 17 -1.872 22.604 0.477 111 1HG2 THR 17 1HG2 THR 17 -0.657 21.656 2.093 112 2HG2 THR 17 2HG2 THR 17 -0.048 20.578 0.837 113 3HG2 THR 17 3HG2 THR 17 -0.780 19.906 2.296 114 H LYS 18 H LYS 18 -0.792 17.347 0.115 115 HA LYS 18 HA LYS 18 1.211 18.402 -1.775 116 1HB LYS 18 2HB LYS 18 1.809 17.923 0.612 117 2HB LYS 18 1HB LYS 18 1.054 16.356 0.466 118 1HG LYS 18 2HG LYS 18 2.764 15.818 -1.308 119 2HG LYS 18 1HG LYS 18 3.569 17.327 -0.873 120 1HD LYS 18 2HD LYS 18 3.883 16.559 1.394 121 2HD LYS 18 1HD LYS 18 2.947 15.097 1.063 122 1HE LYS 18 2HE LYS 18 4.644 14.449 -0.614 123 2HE LYS 18 1HE LYS 18 5.589 15.868 -0.168 124 1HZ LYS 18 1HZ LYS 18 5.943 14.986 2.011 125 2HZ LYS 18 2HZ LYS 18 6.299 13.747 0.922 126 3HZ LYS 18 3HZ LYS 18 4.856 13.725 1.776 127 H ALA 19 H ALA 19 1.956 16.879 -3.172 128 HA ALA 19 HA ALA 19 0.267 14.483 -3.669 129 1HB ALA 19 1HB ALA 19 0.153 16.119 -5.525 130 2HB ALA 19 2HB ALA 19 0.967 14.632 -6.001 131 3HB ALA 19 3HB ALA 19 1.910 16.079 -5.641 132 H GLU 20 H GLU 20 1.221 12.659 -3.289 133 HA GLU 20 HA GLU 20 4.112 12.620 -3.313 134 1HB GLU 20 2HB GLU 20 3.431 13.186 -1.066 135 2HB GLU 20 1HB GLU 20 2.345 11.805 -1.017 136 1HG GLU 20 2HG GLU 20 4.274 11.305 0.247 137 2HG GLU 20 1HG GLU 20 4.305 10.334 -1.221 138 H LYS 21 H LYS 21 4.860 10.665 -4.094 139 HA LYS 21 HA LYS 21 2.896 8.733 -5.118 140 1HB LYS 21 2HB LYS 21 4.540 9.905 -6.663 141 2HB LYS 21 1HB LYS 21 5.835 9.284 -5.677 142 1HG LYS 21 2HG LYS 21 3.923 7.479 -7.163 143 2HG LYS 21 1HG LYS 21 5.360 8.153 -7.918 144 1HD LYS 21 2HD LYS 21 6.712 7.054 -6.093 145 2HD LYS 21 1HD LYS 21 5.226 6.265 -5.561 146 1HE LYS 21 2HE LYS 21 6.504 4.762 -6.991 147 2HE LYS 21 1HE LYS 21 5.001 5.228 -7.788 148 1HZ LYS 21 1HZ LYS 21 7.669 6.427 -8.323 149 2HZ LYS 21 2HZ LYS 21 6.245 6.836 -9.123 150 3HZ LYS 21 3HZ LYS 21 6.902 5.311 -9.325 151 H ARG 22 H ARG 22 2.327 7.312 -3.569 152 HA ARG 22 HA ARG 22 4.637 6.182 -2.429 153 1HB ARG 22 2HB ARG 22 1.881 6.604 -1.342 154 2HB ARG 22 1HB ARG 22 3.086 5.611 -0.534 155 1HG ARG 22 2HG ARG 22 3.488 8.506 -1.266 156 2HG ARG 22 1HG ARG 22 2.928 7.942 0.309 157 1HD ARG 22 2HD ARG 22 4.984 6.782 0.698 158 2HD ARG 22 1HD ARG 22 5.526 7.079 -0.957 159 HE ARG 22 HE ARG 22 5.661 9.414 -0.403 160 1HH1 ARG 22 1HH1 ARG 22 5.380 7.307 2.453 161 2HH1 ARG 22 2HH1 ARG 22 6.195 8.394 3.481 162 1HH2 ARG 22 1HH2 ARG 22 6.732 10.909 1.026 163 2HH2 ARG 22 2HH2 ARG 22 7.021 10.482 2.629 164 H ILE 23 H ILE 23 3.575 3.652 -1.508 165 HA ILE 23 HA ILE 23 1.743 2.806 -3.597 166 HB ILE 23 HB ILE 23 4.051 2.217 -4.399 167 1HG1 ILE 23 2HG1 ILE 23 2.529 -0.257 -3.586 168 2HG1 ILE 23 1HG1 ILE 23 2.126 0.756 -4.972 169 1HG2 ILE 23 1HG2 ILE 23 4.191 0.518 -1.933 170 2HG2 ILE 23 2HG2 ILE 23 5.210 1.928 -2.285 171 3HG2 ILE 23 3HG2 ILE 23 5.325 0.457 -3.268 172 1HD1 ILE 23 1HD1 ILE 23 3.368 -1.225 -5.650 173 2HD1 ILE 23 2HD1 ILE 23 4.697 -0.765 -4.584 174 3HD1 ILE 23 3HD1 ILE 23 4.290 0.246 -5.975 175 H TYR 24 H TYR 24 0.376 1.064 -2.927 176 HA TYR 24 HA TYR 24 0.910 -0.096 -0.382 177 1HB TYR 24 2HB TYR 24 -1.339 0.313 0.563 178 2HB TYR 24 1HB TYR 24 -0.448 1.792 0.351 179 HD1 TYR 24 1HD TYR 24 -2.540 2.978 0.733 180 HD2 TYR 24 2HD TYR 24 -2.149 0.382 -2.612 181 HE1 TYR 24 1HE TYR 24 -4.541 3.974 -0.261 182 HE2 TYR 24 2HE TYR 24 -4.155 1.386 -3.621 183 HH TYR 24 HH TYR 24 -5.540 4.268 -2.547 184 H TYR 25 H TYR 25 -1.012 -1.885 0.044 185 HA TYR 25 HA TYR 25 -0.671 -3.423 -2.175 186 1HB TYR 25 2HB TYR 25 -0.365 -4.113 0.054 187 2HB TYR 25 1HB TYR 25 -2.048 -3.814 0.431 188 HD1 TYR 25 1HD TYR 25 0.109 -5.844 -1.815 189 HD2 TYR 25 2HD TYR 25 -3.526 -5.600 0.372 190 HE1 TYR 25 1HE TYR 25 -0.312 -8.220 -2.258 191 HE2 TYR 25 2HE TYR 25 -3.962 -7.971 -0.078 192 HH TYR 25 HH TYR 25 -1.557 -10.038 -1.273 193 H ASN 26 H ASN 26 -2.368 -4.035 -3.620 194 HA ASN 26 HA ASN 26 -5.126 -3.188 -3.062 195 1HB ASN 26 2HB ASN 26 -4.168 -2.465 -5.257 196 2HB ASN 26 1HB ASN 26 -3.858 -4.155 -5.643 197 1HD2 ASN 26 1HD2 ASN 26 -6.293 -1.680 -5.313 198 2HD2 ASN 26 2HD2 ASN 26 -7.561 -2.581 -6.041 199 H SER 27 H SER 27 -6.425 -4.510 -2.590 200 HA SER 27 HA SER 27 -5.407 -6.984 -1.863 201 1HB SER 27 2HB SER 27 -8.266 -6.112 -1.429 202 2HB SER 27 1HB SER 27 -7.524 -7.522 -0.670 203 HG SER 27 HG SER 27 -6.485 -6.309 0.643 204 H ALA 28 H ALA 28 -7.771 -6.053 -4.263 205 HA ALA 28 HA ALA 28 -8.858 -8.637 -4.754 206 1HB ALA 28 1HB ALA 28 -9.948 -7.544 -6.658 207 2HB ALA 28 2HB ALA 28 -8.963 -6.108 -6.383 208 3HB ALA 28 3HB ALA 28 -10.131 -6.622 -5.164 209 H ARG 29 H ARG 29 -6.562 -6.556 -6.218 210 HA ARG 29 HA ARG 29 -5.836 -8.427 -8.358 211 1HB ARG 29 2HB ARG 29 -4.627 -5.783 -7.609 212 2HB ARG 29 1HB ARG 29 -3.817 -6.853 -8.726 213 1HG ARG 29 2HG ARG 29 -4.993 -5.131 -9.911 214 2HG ARG 29 1HG ARG 29 -5.746 -6.687 -10.242 215 1HD ARG 29 2HD ARG 29 -7.641 -6.152 -9.046 216 2HD ARG 29 1HD ARG 29 -6.807 -4.932 -8.075 217 HE ARG 29 HE ARG 29 -6.638 -4.049 -10.629 218 1HH1 ARG 29 1HH1 ARG 29 -9.419 -5.056 -8.750 219 2HH1 ARG 29 2HH1 ARG 29 -10.391 -3.698 -9.103 220 1HH2 ARG 29 1HH2 ARG 29 -7.976 -2.244 -11.276 221 2HH2 ARG 29 2HH2 ARG 29 -9.529 -2.047 -10.625 222 H LYS 30 H LYS 30 -5.074 -8.154 -5.184 223 HA LYS 30 HA LYS 30 -3.380 -8.721 -3.759 224 1HB LYS 30 2HB LYS 30 -4.172 -10.959 -4.460 225 2HB LYS 30 1HB LYS 30 -3.086 -10.933 -5.835 226 1HG LYS 30 2HG LYS 30 -1.167 -11.071 -4.350 227 2HG LYS 30 1HG LYS 30 -2.229 -10.990 -2.944 228 1HD LYS 30 2HD LYS 30 -3.198 -13.108 -3.486 229 2HD LYS 30 1HD LYS 30 -2.357 -13.152 -5.038 230 1HE LYS 30 2HE LYS 30 -0.221 -13.275 -3.915 231 2HE LYS 30 1HE LYS 30 -1.006 -13.134 -2.344 232 1HZ LYS 30 1HZ LYS 30 -0.361 -15.422 -3.068 233 2HZ LYS 30 2HZ LYS 30 -1.628 -15.363 -4.208 234 3HZ LYS 30 3HZ LYS 30 -1.946 -15.223 -2.555 235 H GLN 31 H GLN 31 -2.731 -6.912 -5.335 236 HA GLN 31 HA GLN 31 0.311 -6.936 -5.721 237 1HB GLN 31 2HB GLN 31 0.384 -6.208 -7.885 238 2HB GLN 31 1HB GLN 31 -0.911 -7.376 -7.934 239 1HG GLN 31 2HG GLN 31 -2.555 -5.570 -7.933 240 2HG GLN 31 1HG GLN 31 -1.256 -4.380 -7.836 241 1HE2 GLN 31 1HE2 GLN 31 -3.251 -4.607 -9.942 242 2HE2 GLN 31 2HE2 GLN 31 -2.392 -4.946 -11.386 243 H CYS 32 H CYS 32 1.590 -5.051 -5.433 244 HA CYS 32 HA CYS 32 0.206 -3.308 -3.868 245 1HB CYS 32 2HB CYS 32 3.031 -3.634 -4.817 246 2HB CYS 32 1HB CYS 32 2.516 -2.324 -3.767 247 H LEU 33 H LEU 33 -0.243 -1.118 -4.653 248 HA LEU 33 HA LEU 33 0.800 -0.193 -7.212 249 1HB LEU 33 2HB LEU 33 -1.435 0.301 -8.083 250 2HB LEU 33 1HB LEU 33 -1.103 -1.411 -8.007 251 HG LEU 33 HG LEU 33 -2.559 -1.479 -5.925 252 1HD1 LEU 33 1HD1 LEU 33 -2.545 0.899 -5.361 253 2HD1 LEU 33 2HD1 LEU 33 -4.187 0.308 -5.630 254 3HD1 LEU 33 3HD1 LEU 33 -3.383 1.267 -6.870 255 1HD2 LEU 33 1HD2 LEU 33 -4.621 -1.487 -7.232 256 2HD2 LEU 33 2HD2 LEU 33 -3.296 -2.270 -8.091 257 3HD2 LEU 33 3HD2 LEU 33 -3.793 -0.636 -8.537 258 H ARG 34 H ARG 34 0.680 1.703 -7.668 259 HA ARG 34 HA ARG 34 1.103 3.433 -5.458 260 1HB ARG 34 2HB ARG 34 2.525 3.379 -7.475 261 2HB ARG 34 1HB ARG 34 1.178 3.867 -8.459 262 1HG ARG 34 2HG ARG 34 2.465 5.630 -6.363 263 2HG ARG 34 1HG ARG 34 2.947 5.601 -8.048 264 1HD ARG 34 2HD ARG 34 0.363 6.134 -8.414 265 2HD ARG 34 1HD ARG 34 0.506 6.726 -6.754 266 HE ARG 34 HE ARG 34 2.088 7.717 -9.041 267 1HH1 ARG 34 1HH1 ARG 34 0.602 8.373 -5.871 268 2HH1 ARG 34 2HH1 ARG 34 0.935 10.046 -5.958 269 1HH2 ARG 34 1HH2 ARG 34 2.544 9.971 -9.087 270 2HH2 ARG 34 2HH2 ARG 34 2.100 10.979 -7.803 271 H PHE 35 H PHE 35 0.034 5.051 -4.908 272 HA PHE 35 HA PHE 35 -2.379 5.299 -6.117 273 1HB PHE 35 2HB PHE 35 -3.647 5.825 -3.889 274 2HB PHE 35 1HB PHE 35 -2.993 4.221 -4.095 275 HD1 PHE 35 1HD PHE 35 -3.444 6.788 -1.861 276 HD2 PHE 35 2HD PHE 35 -0.438 4.047 -3.116 277 HE1 PHE 35 1HE PHE 35 -2.346 6.991 0.318 278 HE2 PHE 35 2HE PHE 35 0.664 4.256 -0.934 279 HZ PHE 35 HZ PHE 35 -0.294 5.723 0.790 280 H ASP 36 H ASP 36 -3.285 8.009 -5.165 281 HA ASP 36 HA ASP 36 -0.840 9.459 -5.107 282 1HB ASP 36 2HB ASP 36 -3.615 10.198 -5.985 283 2HB ASP 36 1HB ASP 36 -2.458 11.461 -5.599 284 H TYR 37 H TYR 37 -0.392 9.210 -3.011 285 HA TYR 37 HA TYR 37 -2.209 9.853 -0.856 286 1HB TYR 37 2HB TYR 37 -0.429 8.143 -0.727 287 2HB TYR 37 1HB TYR 37 0.776 9.360 -1.045 288 HD1 TYR 37 1HD TYR 37 -1.977 8.612 1.403 289 HD2 TYR 37 2HD TYR 37 1.888 10.297 0.819 290 HE1 TYR 37 1HE TYR 37 -1.779 8.973 3.828 291 HE2 TYR 37 2HE TYR 37 2.093 10.666 3.240 292 HH TYR 37 HH TYR 37 0.751 10.869 5.233 293 H THR 38 H THR 38 -2.495 11.944 -0.008 294 HA THR 38 HA THR 38 -1.024 13.862 -1.441 295 HB THR 38 HB THR 38 -2.934 15.303 -0.450 296 HG1 THR 38 1HG THR 38 -4.451 13.028 -0.331 297 1HG2 THR 38 1HG2 THR 38 -4.453 14.474 -2.206 298 2HG2 THR 38 2HG2 THR 38 -3.473 13.015 -2.358 299 3HG2 THR 38 3HG2 THR 38 -2.793 14.582 -2.794 300 H GLY 39 H GLY 39 0.306 12.668 0.703 301 1HA GLY 39 2HA GLY 39 1.638 13.120 2.467 302 2HA GLY 39 1HA GLY 39 1.365 14.785 2.045 303 H GLN 40 H GLN 40 -1.690 14.330 3.080 304 HA GLN 40 HA GLN 40 -0.851 14.323 5.868 305 1HB GLN 40 2HB GLN 40 -1.033 16.666 5.026 306 2HB GLN 40 1HB GLN 40 -2.712 16.360 4.613 307 1HG GLN 40 2HG GLN 40 -2.684 17.536 6.671 308 2HG GLN 40 1HG GLN 40 -3.124 15.860 7.023 309 1HE2 GLN 40 1HE2 GLN 40 -2.401 16.019 9.151 310 2HE2 GLN 40 2HE2 GLN 40 -0.723 16.051 9.551 311 H GLY 41 H GLY 41 -2.471 12.973 7.095 312 1HA GLY 41 2HA GLY 41 -4.688 12.600 7.588 313 2HA GLY 41 1HA GLY 41 -5.135 13.432 6.112 314 H GLY 42 H GLY 42 -3.083 10.599 6.579 315 1HA GLY 42 2HA GLY 42 -4.844 9.249 4.681 316 2HA GLY 42 1HA GLY 42 -3.093 9.087 4.690 317 H ASN 43 H ASN 43 -3.083 6.872 4.969 318 HA ASN 43 HA ASN 43 -4.285 5.622 7.330 319 1HB ASN 43 2HB ASN 43 -4.201 3.718 5.911 320 2HB ASN 43 1HB ASN 43 -5.075 4.948 5.013 321 1HD2 ASN 43 1HD2 ASN 43 -3.647 2.600 4.081 322 2HD2 ASN 43 2HD2 ASN 43 -2.414 3.165 2.996 323 H GLU 44 H GLU 44 -3.100 3.967 8.014 324 HA GLU 44 HA GLU 44 -0.373 4.672 8.872 325 1HB GLU 44 2HB GLU 44 -2.051 2.233 9.347 326 2HB GLU 44 1HB GLU 44 -0.624 2.750 10.233 327 1HG GLU 44 2HG GLU 44 -3.312 4.105 10.175 328 2HG GLU 44 1HG GLU 44 -2.586 3.230 11.522 329 H ASN 45 H ASN 45 -1.751 2.669 6.435 330 HA ASN 45 HA ASN 45 0.713 1.212 6.146 331 1HB ASN 45 2HB ASN 45 -1.451 0.130 5.701 332 2HB ASN 45 1HB ASN 45 -1.761 1.281 4.407 333 1HD2 ASN 45 1HD2 ASN 45 -0.134 -1.541 5.338 334 2HD2 ASN 45 2HD2 ASN 45 0.546 -1.929 3.793 335 H ASN 46 H ASN 46 2.213 3.643 5.294 336 HA ASN 46 HA ASN 46 1.573 3.511 2.679 337 1HB ASN 46 2HB ASN 46 1.299 5.478 4.136 338 2HB ASN 46 1HB ASN 46 2.995 5.369 4.581 339 1HD2 ASN 46 1HD2 ASN 46 0.722 6.222 2.202 340 2HD2 ASN 46 2HD2 ASN 46 1.813 7.048 1.142 341 H PHE 47 H PHE 47 3.067 2.788 1.240 342 HA PHE 47 HA PHE 47 5.622 2.194 2.347 343 1HB PHE 47 2HB PHE 47 4.359 1.095 -0.152 344 2HB PHE 47 1HB PHE 47 5.936 0.623 0.480 345 HD1 PHE 47 1HD PHE 47 2.616 -0.252 0.354 346 HD2 PHE 47 2HD PHE 47 5.849 0.028 3.077 347 HE1 PHE 47 1HE PHE 47 1.511 -1.870 1.826 348 HE2 PHE 47 2HE PHE 47 4.759 -1.591 4.554 349 HZ PHE 47 HZ PHE 47 2.580 -2.541 3.921 350 H ARG 48 H ARG 48 7.366 3.145 1.414 351 HA ARG 48 HA ARG 48 7.117 5.150 -0.810 352 1HB ARG 48 2HB ARG 48 7.935 5.904 1.430 353 2HB ARG 48 1HB ARG 48 9.285 4.802 1.241 354 1HG ARG 48 2HG ARG 48 9.909 7.099 0.688 355 2HG ARG 48 1HG ARG 48 10.056 6.041 -0.708 356 1HD ARG 48 2HD ARG 48 8.047 6.966 -1.709 357 2HD ARG 48 1HD ARG 48 7.637 7.837 -0.243 358 HE ARG 48 HE ARG 48 10.094 8.725 -0.892 359 1HH1 ARG 48 1HH1 ARG 48 7.110 8.552 -2.872 360 2HH1 ARG 48 2HH1 ARG 48 7.298 10.116 -3.500 361 1HH2 ARG 48 1HH2 ARG 48 10.292 10.904 -1.802 362 2HH2 ARG 48 2HH2 ARG 48 9.130 11.482 -2.888 363 H ARG 49 H ARG 49 8.251 1.855 -0.221 364 HA ARG 49 HA ARG 49 9.655 2.130 -2.672 365 1HB ARG 49 2HB ARG 49 11.313 2.197 -0.902 366 2HB ARG 49 1HB ARG 49 10.617 0.787 -0.133 367 1HG ARG 49 2HG ARG 49 11.406 -0.644 -1.865 368 2HG ARG 49 1HG ARG 49 11.880 0.736 -2.859 369 1HD ARG 49 2HD ARG 49 13.828 -0.270 -1.802 370 2HD ARG 49 1HD ARG 49 13.562 1.358 -1.192 371 HE ARG 49 HE ARG 49 12.708 -1.029 0.305 372 1HH1 ARG 49 1HH1 ARG 49 14.434 2.089 0.211 373 2HH1 ARG 49 2HH1 ARG 49 14.888 2.027 1.850 374 1HH2 ARG 49 1HH2 ARG 49 13.336 -1.074 2.559 375 2HH2 ARG 49 2HH2 ARG 49 14.283 0.192 3.196 376 H THR 50 H THR 50 9.256 0.366 -4.012 377 HA THR 50 HA THR 50 6.902 -1.017 -3.910 378 HB THR 50 HB THR 50 9.286 -1.834 -5.557 379 HG1 THR 50 1HG THR 50 7.488 0.257 -6.265 380 1HG2 THR 50 1HG2 THR 50 7.204 -3.154 -5.817 381 2HG2 THR 50 2HG2 THR 50 7.555 -2.220 -7.269 382 3HG2 THR 50 3HG2 THR 50 6.312 -1.668 -6.144 383 H TYR 51 H TYR 51 10.185 -2.434 -3.522 384 HA TYR 51 HA TYR 51 9.353 -5.048 -3.003 385 1HB TYR 51 2HB TYR 51 11.650 -4.664 -3.582 386 2HB TYR 51 1HB TYR 51 11.895 -3.611 -2.189 387 HD1 TYR 51 1HD TYR 51 13.017 -4.512 -0.402 388 HD2 TYR 51 2HD TYR 51 10.834 -7.122 -2.946 389 HE1 TYR 51 1HE TYR 51 13.776 -6.422 0.926 390 HE2 TYR 51 2HE TYR 51 11.597 -9.048 -1.626 391 HH TYR 51 HH TYR 51 13.330 -9.651 -0.112 392 H ASP 52 H ASP 52 9.652 -2.308 -0.899 393 HA ASP 52 HA ASP 52 9.508 -3.813 1.536 394 1HB ASP 52 2HB ASP 52 10.238 -1.443 1.492 395 2HB ASP 52 1HB ASP 52 8.610 -0.964 1.029 396 H CYS 53 H CYS 53 7.044 -2.345 -0.435 397 HA CYS 53 HA CYS 53 4.713 -3.188 0.987 398 1HB CYS 53 2HB CYS 53 4.694 -1.646 -0.956 399 2HB CYS 53 1HB CYS 53 4.994 -3.024 -2.012 400 H GLN 54 H GLN 54 6.248 -4.505 -1.503 401 HA GLN 54 HA GLN 54 5.112 -7.135 -1.909 402 1HB GLN 54 2HB GLN 54 6.538 -6.331 -3.564 403 2HB GLN 54 1HB GLN 54 7.986 -6.484 -2.528 404 1HG GLN 54 2HG GLN 54 7.471 -8.967 -2.553 405 2HG GLN 54 1HG GLN 54 6.270 -8.619 -3.800 406 1HE2 GLN 54 1HE2 GLN 54 9.607 -8.947 -3.081 407 2HE2 GLN 54 2HE2 GLN 54 10.200 -8.705 -4.676 408 H ARG 55 H ARG 55 7.787 -6.367 0.030 409 HA ARG 55 HA ARG 55 8.181 -9.012 1.030 410 1HB ARG 55 2HB ARG 55 9.996 -7.372 0.973 411 2HB ARG 55 1HB ARG 55 9.122 -6.346 2.092 412 1HG ARG 55 2HG ARG 55 9.430 -7.908 3.864 413 2HG ARG 55 1HG ARG 55 10.106 -9.108 2.753 414 1HD ARG 55 2HD ARG 55 11.965 -7.654 2.262 415 2HD ARG 55 1HD ARG 55 11.285 -6.386 3.262 416 HE ARG 55 HE ARG 55 11.573 -7.897 5.166 417 1HH1 ARG 55 1HH1 ARG 55 13.512 -8.625 2.258 418 2HH1 ARG 55 2HH1 ARG 55 14.858 -9.177 3.132 419 1HH2 ARG 55 1HH2 ARG 55 13.468 -8.650 6.363 420 2HH2 ARG 55 2HH2 ARG 55 14.860 -9.152 5.525 421 H THR 56 H THR 56 6.377 -6.074 2.432 422 HA THR 56 HA THR 56 5.822 -7.853 4.430 423 HB THR 56 HB THR 56 6.104 -5.583 5.036 424 HG1 THR 56 1HG THR 56 4.697 -6.862 6.258 425 1HG2 THR 56 1HG2 THR 56 3.602 -5.008 3.468 426 2HG2 THR 56 2HG2 THR 56 5.237 -4.511 3.045 427 3HG2 THR 56 3HG2 THR 56 4.462 -3.856 4.488 428 H CYS 57 H CYS 57 3.769 -6.771 1.710 429 HA CYS 57 HA CYS 57 1.457 -8.090 2.900 430 1HB CYS 57 2HB CYS 57 1.468 -6.147 0.578 431 2HB CYS 57 1HB CYS 57 0.089 -6.722 1.515 432 H LEU 58 H LEU 58 3.677 -8.513 0.437 433 HA LEU 58 HA LEU 58 1.893 -10.323 -0.992 434 1HB LEU 58 2HB LEU 58 3.075 -8.544 -2.252 435 2HB LEU 58 1HB LEU 58 4.604 -9.228 -1.779 436 HG LEU 58 HG LEU 58 3.894 -9.613 -4.164 437 1HD1 LEU 58 1HD1 LEU 58 4.425 -12.085 -2.548 438 2HD1 LEU 58 2HD1 LEU 58 5.626 -10.991 -3.238 439 3HD1 LEU 58 3HD1 LEU 58 4.584 -11.940 -4.299 440 1HD2 LEU 58 1HD2 LEU 58 1.533 -9.999 -3.796 441 2HD2 LEU 58 2HD2 LEU 58 1.895 -11.480 -2.903 442 3HD2 LEU 58 3HD2 LEU 58 2.264 -11.372 -4.627 443 H TYR 59 H TYR 59 4.579 -10.364 1.200 444 HA TYR 59 HA TYR 59 4.976 -13.162 0.593 445 1HB TYR 59 2HB TYR 59 6.546 -11.312 2.394 446 2HB TYR 59 1HB TYR 59 6.847 -13.038 2.271 447 HD1 TYR 59 1HD TYR 59 8.861 -10.872 1.761 448 HD2 TYR 59 2HD TYR 59 6.204 -12.891 -0.865 449 HE1 TYR 59 1HE TYR 59 10.398 -10.458 -0.106 450 HE2 TYR 59 2HE TYR 59 7.726 -12.481 -2.733 451 HH TYR 59 HH TYR 59 10.866 -11.593 -2.340 452 H THR 60 H THR 60 2.998 -14.074 1.475 453 HA THR 60 HA THR 60 2.853 -14.555 4.107 454 HB THR 60 HB THR 60 2.283 -12.174 4.471 455 HG1 THR 60 1HG THR 60 -0.275 -12.952 4.846 456 1HG2 THR 60 1HG2 THR 60 0.263 -11.139 3.495 457 2HG2 THR 60 2HG2 THR 60 -0.009 -12.591 2.533 458 3HG2 THR 60 3HG2 THR 60 1.416 -11.599 2.239 Start of MODEL 15 1 1H LYS 1 1HT LYS 1 -2.217 -13.953 11.079 2 2H LYS 1 2HT LYS 1 -1.381 -12.675 10.436 3 3H LYS 1 3HT LYS 1 -0.587 -13.705 11.527 4 HA LYS 1 HA LYS 1 0.026 -14.046 9.214 5 1HB LYS 1 2HB LYS 1 -0.486 -16.518 9.085 6 2HB LYS 1 1HB LYS 1 0.137 -16.027 10.653 7 1HG LYS 1 2HG LYS 1 -2.196 -15.968 11.499 8 2HG LYS 1 1HG LYS 1 -2.734 -16.591 9.942 9 1HD LYS 1 2HD LYS 1 -2.539 -18.364 11.637 10 2HD LYS 1 1HD LYS 1 -1.424 -18.619 10.289 11 1HE LYS 1 2HE LYS 1 0.421 -17.838 11.585 12 2HE LYS 1 1HE LYS 1 -0.645 -17.274 12.869 13 1HZ LYS 1 1HZ LYS 1 -1.200 -19.488 13.414 14 2HZ LYS 1 2HZ LYS 1 0.471 -19.396 13.384 15 3HZ LYS 1 3HZ LYS 1 -0.361 -20.130 12.094 16 H ASP 2 H ASP 2 -0.999 -15.540 7.261 17 HA ASP 2 HA ASP 2 -2.359 -15.542 5.451 18 1HB ASP 2 2HB ASP 2 -4.429 -14.536 7.413 19 2HB ASP 2 1HB ASP 2 -4.783 -14.608 5.694 20 H ARG 3 H ARG 3 -3.081 -12.550 7.113 21 HA ARG 3 HA ARG 3 -1.811 -11.050 4.957 22 1HB ARG 3 2HB ARG 3 -4.604 -10.450 5.976 23 2HB ARG 3 1HB ARG 3 -3.676 -9.469 4.879 24 1HG ARG 3 2HG ARG 3 -3.918 -11.174 3.150 25 2HG ARG 3 1HG ARG 3 -4.836 -12.187 4.278 26 1HD ARG 3 2HD ARG 3 -6.445 -10.358 4.579 27 2HD ARG 3 1HD ARG 3 -5.556 -9.391 3.420 28 HE ARG 3 HE ARG 3 -6.271 -11.736 2.146 29 1HH1 ARG 3 1HH1 ARG 3 -7.940 -9.119 3.820 30 2HH1 ARG 3 2HH1 ARG 3 -9.266 -9.022 2.772 31 1HH2 ARG 3 1HH2 ARG 3 -8.189 -11.653 0.615 32 2HH2 ARG 3 2HH2 ARG 3 -9.391 -10.479 0.922 33 HA PRO 4 HA PRO 4 -1.050 -8.911 8.827 34 1HB PRO 4 2HB PRO 4 0.031 -6.761 7.012 35 2HB PRO 4 1HB PRO 4 0.817 -7.498 8.413 36 1HG PRO 4 2HG PRO 4 1.575 -8.102 5.911 37 2HG PRO 4 1HG PRO 4 1.578 -9.315 7.201 38 1HD PRO 4 2HD PRO 4 -0.391 -8.912 4.985 39 2HD PRO 4 1HD PRO 4 0.225 -10.426 5.683 40 H SER 5 H SER 5 -2.904 -7.658 9.520 41 HA SER 5 HA SER 5 -4.926 -7.104 7.860 42 1HB SER 5 2HB SER 5 -4.387 -5.966 10.582 43 2HB SER 5 1HB SER 5 -5.960 -5.975 9.769 44 HG SER 5 HG SER 5 -5.585 -8.261 9.498 45 H LEU 6 H LEU 6 -2.119 -5.049 8.290 46 HA LEU 6 HA LEU 6 -3.483 -2.694 7.714 47 1HB LEU 6 2HB LEU 6 -1.151 -1.773 7.544 48 2HB LEU 6 1HB LEU 6 -1.599 -2.455 9.084 49 HG LEU 6 HG LEU 6 -0.300 -4.536 8.408 50 1HD1 LEU 6 1HD1 LEU 6 1.447 -4.285 6.723 51 2HD1 LEU 6 2HD1 LEU 6 0.772 -2.726 6.253 52 3HD1 LEU 6 3HD1 LEU 6 -0.168 -4.202 6.018 53 1HD2 LEU 6 1HD2 LEU 6 1.856 -3.539 8.992 54 2HD2 LEU 6 2HD2 LEU 6 0.544 -2.937 10.008 55 3HD2 LEU 6 3HD2 LEU 6 1.185 -1.937 8.705 56 H CYS 7 H CYS 7 -2.591 -5.299 5.788 57 HA CYS 7 HA CYS 7 -2.005 -3.840 3.404 58 1HB CYS 7 2HB CYS 7 -2.829 -6.714 3.828 59 2HB CYS 7 1HB CYS 7 -2.146 -6.039 2.355 60 H ASP 8 H ASP 8 -4.772 -4.807 5.201 61 HA ASP 8 HA ASP 8 -6.687 -4.489 2.985 62 1HB ASP 8 2HB ASP 8 -6.816 -6.573 4.433 63 2HB ASP 8 1HB ASP 8 -7.118 -5.540 5.823 64 H LEU 9 H LEU 9 -5.221 -2.262 4.124 65 HA LEU 9 HA LEU 9 -6.879 -1.145 6.217 66 1HB LEU 9 2HB LEU 9 -4.348 -1.581 6.568 67 2HB LEU 9 1HB LEU 9 -4.084 -0.352 5.370 68 HG LEU 9 HG LEU 9 -3.712 0.468 7.626 69 1HD1 LEU 9 1HD1 LEU 9 -4.423 2.094 6.022 70 2HD1 LEU 9 2HD1 LEU 9 -5.095 2.466 7.612 71 3HD1 LEU 9 3HD1 LEU 9 -6.115 1.739 6.368 72 1HD2 LEU 9 1HD2 LEU 9 -6.610 -0.183 8.113 73 2HD2 LEU 9 2HD2 LEU 9 -5.575 0.735 9.205 74 3HD2 LEU 9 3HD2 LEU 9 -5.211 -0.957 8.860 75 HA PRO 10 HA PRO 10 -9.066 1.148 3.409 76 1HB PRO 10 2HB PRO 10 -7.889 3.384 4.969 77 2HB PRO 10 1HB PRO 10 -9.553 3.125 4.429 78 1HG PRO 10 2HG PRO 10 -8.526 2.439 6.929 79 2HG PRO 10 1HG PRO 10 -10.038 1.839 6.224 80 1HD PRO 10 2HD PRO 10 -7.713 0.337 6.808 81 2HD PRO 10 1HD PRO 10 -9.127 -0.205 5.880 82 H ALA 11 H ALA 11 -8.551 1.185 1.568 83 HA ALA 11 HA ALA 11 -6.039 2.374 0.326 84 1HB ALA 11 1HB ALA 11 -8.715 1.391 -0.835 85 2HB ALA 11 2HB ALA 11 -7.197 0.510 -0.964 86 3HB ALA 11 3HB ALA 11 -7.399 2.049 -1.807 87 H ASP 12 H ASP 12 -5.936 4.057 1.182 88 HA ASP 12 HA ASP 12 -8.002 6.097 0.722 89 1HB ASP 12 2HB ASP 12 -8.204 5.432 3.090 90 2HB ASP 12 1HB ASP 12 -6.490 5.759 3.318 91 H SER 13 H SER 13 -7.617 8.096 0.223 92 HA SER 13 HA SER 13 -4.971 8.407 -1.061 93 1HB SER 13 2HB SER 13 -6.261 10.244 -2.224 94 2HB SER 13 1HB SER 13 -6.754 8.589 -2.601 95 HG SER 13 HG SER 13 -8.070 10.458 -0.876 96 H GLY 14 H GLY 14 -6.646 9.635 1.616 97 1HA GLY 14 2HA GLY 14 -5.865 11.178 3.114 98 2HA GLY 14 1HA GLY 14 -4.443 11.389 2.097 99 H SER 15 H SER 15 -5.551 13.566 3.160 100 HA SER 15 HA SER 15 -6.460 14.625 0.942 101 1HB SER 15 2HB SER 15 -8.493 15.011 3.162 102 2HB SER 15 1HB SER 15 -8.478 16.109 1.779 103 HG SER 15 HG SER 15 -9.751 13.900 1.898 104 H GLY 16 H GLY 16 -4.204 14.846 1.764 105 1HA GLY 16 2HA GLY 16 -3.682 17.192 3.277 106 2HA GLY 16 1HA GLY 16 -2.517 16.121 2.535 107 H THR 17 H THR 17 -1.756 18.453 2.460 108 HA THR 17 HA THR 17 -2.675 20.127 0.280 109 HB THR 17 HB THR 17 -0.786 21.505 1.261 110 HG1 THR 17 1HG THR 17 -0.724 20.569 3.659 111 1HG2 THR 17 1HG2 THR 17 -3.177 21.925 1.699 112 2HG2 THR 17 2HG2 THR 17 -2.210 22.210 3.141 113 3HG2 THR 17 3HG2 THR 17 -3.151 20.724 2.991 114 H LYS 18 H LYS 18 -0.260 17.618 0.524 115 HA LYS 18 HA LYS 18 1.656 18.751 -1.450 116 1HB LYS 18 2HB LYS 18 2.518 18.366 0.903 117 2HB LYS 18 1HB LYS 18 1.813 16.769 0.863 118 1HG LYS 18 2HG LYS 18 4.153 16.551 0.548 119 2HG LYS 18 1HG LYS 18 3.380 16.208 -0.995 120 1HD LYS 18 2HD LYS 18 3.928 18.485 -1.746 121 2HD LYS 18 1HD LYS 18 4.725 18.786 -0.194 122 1HE LYS 18 2HE LYS 18 6.250 16.893 -0.655 123 2HE LYS 18 1HE LYS 18 5.484 16.688 -2.225 124 1HZ LYS 18 1HZ LYS 18 6.854 19.139 -1.319 125 2HZ LYS 18 2HZ LYS 18 6.296 18.839 -2.911 126 3HZ LYS 18 3HZ LYS 18 7.576 17.974 -2.288 127 H ALA 19 H ALA 19 2.504 17.140 -2.835 128 HA ALA 19 HA ALA 19 0.678 14.861 -3.258 129 1HB ALA 19 1HB ALA 19 1.362 14.942 -5.611 130 2HB ALA 19 2HB ALA 19 2.400 16.329 -5.275 131 3HB ALA 19 3HB ALA 19 0.650 16.489 -5.143 132 H GLU 20 H GLU 20 1.525 12.936 -2.899 133 HA GLU 20 HA GLU 20 4.399 12.660 -3.054 134 1HB GLU 20 2HB GLU 20 3.855 13.138 -0.731 135 2HB GLU 20 1HB GLU 20 2.700 11.817 -0.702 136 1HG GLU 20 2HG GLU 20 4.791 11.235 0.395 137 2HG GLU 20 1HG GLU 20 4.474 10.222 -1.019 138 H LYS 21 H LYS 21 5.034 10.606 -3.573 139 HA LYS 21 HA LYS 21 2.997 8.860 -4.879 140 1HB LYS 21 2HB LYS 21 4.935 9.850 -6.164 141 2HB LYS 21 1HB LYS 21 5.991 8.931 -5.101 142 1HG LYS 21 2HG LYS 21 4.759 6.869 -5.860 143 2HG LYS 21 1HG LYS 21 4.005 7.883 -7.088 144 1HD LYS 21 2HD LYS 21 5.876 6.855 -8.113 145 2HD LYS 21 1HD LYS 21 6.335 8.534 -7.799 146 1HE LYS 21 2HE LYS 21 7.498 7.824 -5.762 147 2HE LYS 21 1HE LYS 21 7.029 6.152 -6.083 148 1HZ LYS 21 1HZ LYS 21 8.956 7.828 -7.618 149 2HZ LYS 21 2HZ LYS 21 8.228 6.475 -8.267 150 3HZ LYS 21 3HZ LYS 21 9.177 6.301 -6.905 151 H ARG 22 H ARG 22 2.224 7.343 -3.269 152 HA ARG 22 HA ARG 22 4.435 5.996 -2.094 153 1HB ARG 22 2HB ARG 22 1.615 6.438 -1.136 154 2HB ARG 22 1HB ARG 22 2.792 5.430 -0.309 155 1HG ARG 22 2HG ARG 22 3.168 8.372 -0.862 156 2HG ARG 22 1HG ARG 22 2.511 7.728 0.640 157 1HD ARG 22 2HD ARG 22 4.615 6.507 1.014 158 2HD ARG 22 1HD ARG 22 5.263 7.177 -0.485 159 HE ARG 22 HE ARG 22 5.324 9.317 0.502 160 1HH1 ARG 22 1HH1 ARG 22 4.430 6.807 2.839 161 2HH1 ARG 22 2HH1 ARG 22 4.823 7.707 4.206 162 1HH2 ARG 22 1HH2 ARG 22 5.866 10.631 2.469 163 2HH2 ARG 22 2HH2 ARG 22 5.587 9.928 3.981 164 H ILE 23 H ILE 23 3.225 3.512 -1.382 165 HA ILE 23 HA ILE 23 1.523 2.724 -3.615 166 HB ILE 23 HB ILE 23 3.862 2.139 -4.273 167 1HG1 ILE 23 2HG1 ILE 23 2.339 -0.363 -3.584 168 2HG1 ILE 23 1HG1 ILE 23 1.982 0.677 -4.957 169 1HG2 ILE 23 1HG2 ILE 23 4.856 1.847 -2.063 170 2HG2 ILE 23 2HG2 ILE 23 5.133 0.443 -3.107 171 3HG2 ILE 23 3HG2 ILE 23 3.906 0.364 -1.859 172 1HD1 ILE 23 1HD1 ILE 23 4.552 -0.819 -4.502 173 2HD1 ILE 23 2HD1 ILE 23 4.181 0.214 -5.888 174 3HD1 ILE 23 3HD1 ILE 23 3.266 -1.270 -5.623 175 H TYR 24 H TYR 24 0.006 1.016 -3.020 176 HA TYR 24 HA TYR 24 0.224 0.207 -0.188 177 1HB TYR 24 2HB TYR 24 -2.144 0.529 0.191 178 2HB TYR 24 1HB TYR 24 -1.509 2.036 -0.434 179 HD1 TYR 24 1HD TYR 24 -3.838 -0.661 -0.892 180 HD2 TYR 24 2HD TYR 24 -2.115 2.682 -2.827 181 HE1 TYR 24 1HE TYR 24 -5.644 -0.714 -2.542 182 HE2 TYR 24 2HE TYR 24 -3.916 2.642 -4.487 183 HH TYR 24 HH TYR 24 -6.745 0.730 -4.119 184 H TYR 25 H TYR 25 -0.730 -1.657 0.160 185 HA TYR 25 HA TYR 25 -0.617 -3.646 -1.882 186 1HB TYR 25 2HB TYR 25 -0.266 -4.439 0.329 187 2HB TYR 25 1HB TYR 25 -1.884 -3.949 0.827 188 HD1 TYR 25 1HD TYR 25 -0.237 -6.163 -1.719 189 HD2 TYR 25 2HD TYR 25 -3.533 -5.579 0.898 190 HE1 TYR 25 1HE TYR 25 -1.098 -8.398 -2.302 191 HE2 TYR 25 2HE TYR 25 -4.396 -7.804 0.328 192 HH TYR 25 HH TYR 25 -2.527 -10.093 -1.338 193 H ASN 26 H ASN 26 -2.287 -4.060 -3.433 194 HA ASN 26 HA ASN 26 -5.004 -3.178 -2.771 195 1HB ASN 26 2HB ASN 26 -3.963 -2.479 -4.976 196 2HB ASN 26 1HB ASN 26 -3.914 -4.185 -5.411 197 1HD2 ASN 26 1HD2 ASN 26 -5.878 -1.395 -5.034 198 2HD2 ASN 26 2HD2 ASN 26 -7.333 -2.095 -5.632 199 H SER 27 H SER 27 -6.359 -4.440 -2.293 200 HA SER 27 HA SER 27 -5.463 -7.059 -1.793 201 1HB SER 27 2HB SER 27 -6.726 -5.961 -0.022 202 2HB SER 27 1HB SER 27 -8.181 -5.974 -1.020 203 HG SER 27 HG SER 27 -8.457 -8.005 -0.672 204 H ALA 28 H ALA 28 -7.839 -5.763 -4.019 205 HA ALA 28 HA ALA 28 -9.041 -8.254 -4.619 206 1HB ALA 28 1HB ALA 28 -10.276 -6.208 -4.907 207 2HB ALA 28 2HB ALA 28 -10.142 -7.036 -6.459 208 3HB ALA 28 3HB ALA 28 -9.120 -5.642 -6.114 209 H ARG 29 H ARG 29 -6.642 -6.191 -5.961 210 HA ARG 29 HA ARG 29 -6.060 -7.865 -8.292 211 1HB ARG 29 2HB ARG 29 -4.552 -5.448 -7.261 212 2HB ARG 29 1HB ARG 29 -4.170 -6.308 -8.745 213 1HG ARG 29 2HG ARG 29 -6.773 -4.895 -8.208 214 2HG ARG 29 1HG ARG 29 -5.414 -4.213 -9.096 215 1HD ARG 29 2HD ARG 29 -7.011 -6.658 -9.846 216 2HD ARG 29 1HD ARG 29 -7.061 -5.085 -10.643 217 HE ARG 29 HE ARG 29 -4.743 -6.921 -10.651 218 1HH1 ARG 29 1HH1 ARG 29 -6.539 -4.273 -12.228 219 2HH1 ARG 29 2HH1 ARG 29 -5.628 -4.369 -13.648 220 1HH2 ARG 29 1HH2 ARG 29 -3.521 -6.982 -12.548 221 2HH2 ARG 29 2HH2 ARG 29 -3.836 -5.876 -13.829 222 H LYS 30 H LYS 30 -5.268 -7.992 -5.131 223 HA LYS 30 HA LYS 30 -3.661 -8.905 -3.763 224 1HB LYS 30 2HB LYS 30 -4.573 -10.957 -4.915 225 2HB LYS 30 1HB LYS 30 -3.287 -10.820 -6.107 226 1HG LYS 30 2HG LYS 30 -1.701 -10.948 -4.070 227 2HG LYS 30 1HG LYS 30 -3.108 -11.580 -3.220 228 1HD LYS 30 2HD LYS 30 -3.280 -13.390 -4.816 229 2HD LYS 30 1HD LYS 30 -1.942 -12.712 -5.754 230 1HE LYS 30 2HE LYS 30 -0.557 -12.902 -3.640 231 2HE LYS 30 1HE LYS 30 -1.860 -13.888 -2.989 232 1HZ LYS 30 1HZ LYS 30 -1.555 -15.393 -4.907 233 2HZ LYS 30 2HZ LYS 30 -0.186 -15.281 -3.920 234 3HZ LYS 30 3HZ LYS 30 -0.234 -14.451 -5.395 235 H GLN 31 H GLN 31 -2.843 -6.982 -5.143 236 HA GLN 31 HA GLN 31 0.205 -7.085 -5.372 237 1HB GLN 31 2HB GLN 31 0.428 -6.293 -7.533 238 2HB GLN 31 1HB GLN 31 -0.643 -7.676 -7.626 239 1HG GLN 31 2HG GLN 31 -2.545 -6.115 -7.781 240 2HG GLN 31 1HG GLN 31 -1.391 -4.777 -7.810 241 1HE2 GLN 31 1HE2 GLN 31 -1.928 -4.134 -9.911 242 2HE2 GLN 31 2HE2 GLN 31 -1.480 -5.079 -11.273 243 H CYS 32 H CYS 32 1.494 -5.301 -5.081 244 HA CYS 32 HA CYS 32 -0.254 -3.735 -3.792 245 1HB CYS 32 2HB CYS 32 1.842 -2.535 -2.858 246 2HB CYS 32 1HB CYS 32 1.523 -4.192 -2.388 247 H LEU 33 H LEU 33 -0.442 -1.348 -4.542 248 HA LEU 33 HA LEU 33 0.998 -0.461 -6.944 249 1HB LEU 33 2HB LEU 33 -1.077 -0.149 -8.190 250 2HB LEU 33 1HB LEU 33 -0.742 -1.843 -7.951 251 HG LEU 33 HG LEU 33 -2.499 -1.791 -6.102 252 1HD1 LEU 33 1HD1 LEU 33 -4.173 -0.026 -6.225 253 2HD1 LEU 33 2HD1 LEU 33 -3.177 0.853 -7.386 254 3HD1 LEU 33 3HD1 LEU 33 -2.604 0.607 -5.741 255 1HD2 LEU 33 1HD2 LEU 33 -4.337 -1.969 -7.691 256 2HD2 LEU 33 2HD2 LEU 33 -2.888 -2.779 -8.281 257 3HD2 LEU 33 3HD2 LEU 33 -3.344 -1.202 -8.931 258 H ARG 34 H ARG 34 0.642 1.443 -7.585 259 HA ARG 34 HA ARG 34 1.087 3.140 -5.340 260 1HB ARG 34 2HB ARG 34 2.578 2.990 -7.303 261 2HB ARG 34 1HB ARG 34 1.296 3.569 -8.329 262 1HG ARG 34 2HG ARG 34 2.584 5.215 -6.148 263 2HG ARG 34 1HG ARG 34 3.133 5.192 -7.817 264 1HD ARG 34 2HD ARG 34 0.746 5.902 -8.421 265 2HD ARG 34 1HD ARG 34 0.550 6.193 -6.690 266 HE ARG 34 HE ARG 34 2.848 7.495 -7.535 267 1HH1 ARG 34 1HH1 ARG 34 -0.679 7.729 -8.035 268 2HH1 ARG 34 2HH1 ARG 34 -0.600 9.430 -8.267 269 1HH2 ARG 34 1HH2 ARG 34 2.832 9.915 -7.919 270 2HH2 ARG 34 2HH2 ARG 34 1.290 10.590 -8.171 271 H PHE 35 H PHE 35 0.093 4.725 -4.799 272 HA PHE 35 HA PHE 35 -2.348 5.215 -6.041 273 1HB PHE 35 2HB PHE 35 -3.587 5.717 -3.857 274 2HB PHE 35 1HB PHE 35 -2.957 4.096 -4.056 275 HD1 PHE 35 1HD PHE 35 -0.487 3.797 -2.945 276 HD2 PHE 35 2HD PHE 35 -3.378 6.703 -1.828 277 HE1 PHE 35 1HE PHE 35 0.515 3.939 -0.707 278 HE2 PHE 35 2HE PHE 35 -2.366 6.854 0.396 279 HZ PHE 35 HZ PHE 35 -0.423 5.473 0.965 280 H ASP 36 H ASP 36 -3.106 7.868 -5.159 281 HA ASP 36 HA ASP 36 -0.652 9.163 -4.996 282 1HB ASP 36 2HB ASP 36 -2.164 10.004 -6.723 283 2HB ASP 36 1HB ASP 36 -3.476 10.147 -5.566 284 H TYR 37 H TYR 37 -0.025 9.752 -2.967 285 HA TYR 37 HA TYR 37 -2.010 9.920 -0.810 286 1HB TYR 37 2HB TYR 37 -0.251 8.130 -0.762 287 2HB TYR 37 1HB TYR 37 0.966 9.382 -0.812 288 HD1 TYR 37 1HD TYR 37 1.692 10.460 1.203 289 HD2 TYR 37 2HD TYR 37 -1.847 8.107 1.238 290 HE1 TYR 37 1HE TYR 37 1.594 10.654 3.647 291 HE2 TYR 37 2HE TYR 37 -1.958 8.294 3.678 292 HH TYR 37 HH TYR 37 -0.085 10.492 5.443 293 H THR 38 H THR 38 -2.058 11.936 0.393 294 HA THR 38 HA THR 38 -0.562 13.764 -1.134 295 HB THR 38 HB THR 38 -2.150 15.298 0.199 296 HG1 THR 38 1HG THR 38 -3.821 13.103 0.140 297 1HG2 THR 38 1HG2 THR 38 -3.830 14.902 -1.528 298 2HG2 THR 38 2HG2 THR 38 -3.101 13.340 -1.897 299 3HG2 THR 38 3HG2 THR 38 -2.211 14.829 -2.222 300 H GLY 39 H GLY 39 -0.837 13.143 2.406 301 1HA GLY 39 2HA GLY 39 1.592 12.962 3.303 302 2HA GLY 39 1HA GLY 39 1.764 14.538 2.544 303 H GLN 40 H GLN 40 -1.351 14.699 3.625 304 HA GLN 40 HA GLN 40 -0.639 14.759 6.341 305 1HB GLN 40 2HB GLN 40 -0.618 17.108 5.635 306 2HB GLN 40 1HB GLN 40 -2.174 16.921 4.843 307 1HG GLN 40 2HG GLN 40 -2.440 18.122 6.926 308 2HG GLN 40 1HG GLN 40 -3.241 16.561 7.016 309 1HE2 GLN 40 1HE2 GLN 40 -2.366 18.287 9.155 310 2HE2 GLN 40 2HE2 GLN 40 -1.322 17.350 10.149 311 H GLY 41 H GLY 41 -2.375 13.329 7.301 312 1HA GLY 41 2HA GLY 41 -4.665 12.924 7.591 313 2HA GLY 41 1HA GLY 41 -4.977 13.841 6.139 314 H GLY 42 H GLY 42 -2.997 10.858 6.593 315 1HA GLY 42 2HA GLY 42 -4.650 9.734 4.414 316 2HA GLY 42 1HA GLY 42 -2.923 9.460 4.566 317 H ASN 43 H ASN 43 -3.134 7.181 4.561 318 HA ASN 43 HA ASN 43 -4.563 5.712 6.702 319 1HB ASN 43 2HB ASN 43 -4.831 4.061 4.994 320 2HB ASN 43 1HB ASN 43 -5.509 5.549 4.350 321 1HD2 ASN 43 1HD2 ASN 43 -4.552 3.237 2.902 322 2HD2 ASN 43 2HD2 ASN 43 -3.218 3.781 1.920 323 H GLU 44 H GLU 44 -3.577 3.746 7.176 324 HA GLU 44 HA GLU 44 -0.757 4.021 7.716 325 1HB GLU 44 2HB GLU 44 -2.700 1.807 8.352 326 2HB GLU 44 1HB GLU 44 -1.085 2.012 9.009 327 1HG GLU 44 2HG GLU 44 -3.460 3.793 9.456 328 2HG GLU 44 1HG GLU 44 -2.698 2.723 10.632 329 H ASN 45 H ASN 45 -2.717 2.420 5.390 330 HA ASN 45 HA ASN 45 -0.644 0.540 4.562 331 1HB ASN 45 2HB ASN 45 -3.096 -0.055 4.381 332 2HB ASN 45 1HB ASN 45 -3.328 1.320 3.323 333 1HD2 ASN 45 1HD2 ASN 45 -4.289 -0.294 1.982 334 2HD2 ASN 45 2HD2 ASN 45 -3.318 -1.241 0.917 335 H ASN 46 H ASN 46 0.889 1.841 4.368 336 HA ASN 46 HA ASN 46 0.961 3.649 2.082 337 1HB ASN 46 2HB ASN 46 0.350 4.945 4.106 338 2HB ASN 46 1HB ASN 46 1.796 4.347 4.898 339 1HD2 ASN 46 1HD2 ASN 46 1.012 7.001 4.449 340 2HD2 ASN 46 2HD2 ASN 46 2.241 7.774 3.528 341 H PHE 47 H PHE 47 2.561 2.652 0.952 342 HA PHE 47 HA PHE 47 4.869 1.995 2.514 343 1HB PHE 47 2HB PHE 47 3.926 0.783 -0.075 344 2HB PHE 47 1HB PHE 47 5.478 0.402 0.667 345 HD1 PHE 47 1HD PHE 47 5.485 -0.615 2.968 346 HD2 PHE 47 2HD PHE 47 1.937 -0.227 0.659 347 HE1 PHE 47 1HE PHE 47 4.376 -2.285 4.385 348 HE2 PHE 47 2HE PHE 47 0.825 -1.897 2.075 349 HZ PHE 47 HZ PHE 47 2.044 -2.926 3.938 350 H ARG 48 H ARG 48 6.816 2.751 1.662 351 HA ARG 48 HA ARG 48 6.749 4.923 -0.396 352 1HB ARG 48 2HB ARG 48 7.684 5.462 1.868 353 2HB ARG 48 1HB ARG 48 8.922 4.243 1.587 354 1HG ARG 48 2HG ARG 48 10.032 6.156 0.952 355 2HG ARG 48 1HG ARG 48 9.400 5.592 -0.586 356 1HD ARG 48 2HD ARG 48 8.859 7.883 -0.658 357 2HD ARG 48 1HD ARG 48 7.379 7.217 -0.029 358 HE ARG 48 HE ARG 48 8.578 7.699 2.236 359 1HH1 ARG 48 1HH1 ARG 48 8.551 9.686 -0.677 360 2HH1 ARG 48 2HH1 ARG 48 8.782 11.163 0.128 361 1HH2 ARG 48 1HH2 ARG 48 8.911 9.744 3.402 362 2HH2 ARG 48 2HH2 ARG 48 8.973 11.187 2.533 363 H ARG 49 H ARG 49 7.689 1.512 0.002 364 HA ARG 49 HA ARG 49 9.400 1.920 -2.224 365 1HB ARG 49 2HB ARG 49 10.750 1.769 -0.186 366 2HB ARG 49 1HB ARG 49 9.966 0.258 0.244 367 1HG ARG 49 2HG ARG 49 11.010 -0.858 -1.618 368 2HG ARG 49 1HG ARG 49 11.698 0.664 -2.186 369 1HD ARG 49 2HD ARG 49 12.944 0.842 -0.050 370 2HD ARG 49 1HD ARG 49 12.318 -0.736 0.415 371 HE ARG 49 HE ARG 49 13.500 -1.512 -1.731 372 1HH1 ARG 49 1HH1 ARG 49 14.714 1.071 0.383 373 2HH1 ARG 49 2HH1 ARG 49 16.329 0.903 -0.092 374 1HH2 ARG 49 1HH2 ARG 49 15.707 -1.825 -2.317 375 2HH2 ARG 49 2HH2 ARG 49 16.923 -0.810 -1.671 376 H THR 50 H THR 50 9.185 0.269 -3.735 377 HA THR 50 HA THR 50 6.777 -1.109 -3.900 378 HB THR 50 HB THR 50 9.232 -1.627 -5.576 379 HG1 THR 50 1HG THR 50 7.381 0.568 -5.755 380 1HG2 THR 50 1HG2 THR 50 7.198 -2.940 -6.090 381 2HG2 THR 50 2HG2 THR 50 7.565 -1.794 -7.376 382 3HG2 THR 50 3HG2 THR 50 6.275 -1.445 -6.224 383 H TYR 51 H TYR 51 9.960 -2.252 -2.842 384 HA TYR 51 HA TYR 51 9.140 -4.985 -2.889 385 1HB TYR 51 2HB TYR 51 11.512 -4.519 -3.076 386 2HB TYR 51 1HB TYR 51 11.514 -3.669 -1.536 387 HD1 TYR 51 1HD TYR 51 12.259 -4.800 0.338 388 HD2 TYR 51 2HD TYR 51 10.740 -7.049 -2.937 389 HE1 TYR 51 1HE TYR 51 12.823 -6.881 1.511 390 HE2 TYR 51 2HE TYR 51 11.301 -9.134 -1.776 391 HH TYR 51 HH TYR 51 12.838 -9.880 -0.038 392 H ASP 52 H ASP 52 9.331 -2.462 -0.467 393 HA ASP 52 HA ASP 52 8.758 -4.065 1.812 394 1HB ASP 52 2HB ASP 52 8.223 -1.141 1.314 395 2HB ASP 52 1HB ASP 52 7.681 -1.915 2.798 396 H CYS 53 H CYS 53 6.451 -2.436 -0.301 397 HA CYS 53 HA CYS 53 4.127 -3.344 1.046 398 1HB CYS 53 2HB CYS 53 2.914 -3.056 -1.087 399 2HB CYS 53 1HB CYS 53 3.897 -1.676 -0.645 400 H GLN 54 H GLN 54 5.644 -4.564 -1.463 401 HA GLN 54 HA GLN 54 4.308 -7.076 -1.887 402 1HB GLN 54 2HB GLN 54 5.435 -6.305 -3.749 403 2HB GLN 54 1HB GLN 54 7.037 -6.470 -2.987 404 1HG GLN 54 2HG GLN 54 6.808 -8.861 -3.093 405 2HG GLN 54 1HG GLN 54 5.137 -8.712 -3.643 406 1HE2 GLN 54 1HE2 GLN 54 4.733 -8.034 -5.724 407 2HE2 GLN 54 2HE2 GLN 54 5.923 -8.079 -6.970 408 H ARG 55 H ARG 55 7.197 -6.639 -0.152 409 HA ARG 55 HA ARG 55 7.551 -9.417 0.724 410 1HB ARG 55 2HB ARG 55 9.298 -7.572 0.824 411 2HB ARG 55 1HB ARG 55 8.321 -6.815 2.063 412 1HG ARG 55 2HG ARG 55 8.646 -8.850 3.461 413 2HG ARG 55 1HG ARG 55 9.773 -9.436 2.229 414 1HD ARG 55 2HD ARG 55 10.995 -7.270 2.450 415 2HD ARG 55 1HD ARG 55 9.977 -6.914 3.835 416 HE ARG 55 HE ARG 55 11.197 -9.398 4.226 417 1HH1 ARG 55 1HH1 ARG 55 11.924 -5.944 4.180 418 2HH1 ARG 55 2HH1 ARG 55 13.350 -6.061 5.094 419 1HH2 ARG 55 1HH2 ARG 55 13.155 -9.610 5.407 420 2HH2 ARG 55 2HH2 ARG 55 14.107 -8.235 5.809 421 H THR 56 H THR 56 5.976 -6.566 2.473 422 HA THR 56 HA THR 56 5.354 -8.543 4.336 423 HB THR 56 HB THR 56 5.701 -6.236 5.070 424 HG1 THR 56 1HG THR 56 3.647 -7.803 5.803 425 1HG2 THR 56 1HG2 THR 56 3.067 -5.650 3.713 426 2HG2 THR 56 2HG2 THR 56 4.649 -5.059 3.205 427 3HG2 THR 56 3HG2 THR 56 3.965 -4.536 4.747 428 H CYS 57 H CYS 57 3.473 -7.315 1.622 429 HA CYS 57 HA CYS 57 1.159 -8.738 2.693 430 1HB CYS 57 2HB CYS 57 1.247 -6.750 0.446 431 2HB CYS 57 1HB CYS 57 -0.185 -7.452 1.181 432 H LEU 58 H LEU 58 3.499 -9.262 0.204 433 HA LEU 58 HA LEU 58 1.568 -10.982 -1.119 434 1HB LEU 58 2HB LEU 58 2.771 -9.421 -2.573 435 2HB LEU 58 1HB LEU 58 4.290 -10.158 -2.113 436 HG LEU 58 HG LEU 58 3.497 -12.297 -3.137 437 1HD1 LEU 58 1HD1 LEU 58 1.604 -12.227 -4.671 438 2HD1 LEU 58 2HD1 LEU 58 1.241 -10.585 -4.147 439 3HD1 LEU 58 3HD1 LEU 58 1.114 -11.925 -3.003 440 1HD2 LEU 58 1HD2 LEU 58 4.969 -10.791 -4.358 441 2HD2 LEU 58 2HD2 LEU 58 3.571 -9.904 -4.967 442 3HD2 LEU 58 3HD2 LEU 58 3.835 -11.582 -5.452 443 H TYR 59 H TYR 59 4.316 -11.159 0.933 444 HA TYR 59 HA TYR 59 4.810 -13.875 0.116 445 1HB TYR 59 2HB TYR 59 6.458 -12.020 1.842 446 2HB TYR 59 1HB TYR 59 6.827 -13.727 1.651 447 HD1 TYR 59 1HD TYR 59 8.011 -14.494 -0.206 448 HD2 TYR 59 2HD TYR 59 6.486 -10.539 -0.232 449 HE1 TYR 59 1HE TYR 59 9.271 -14.032 -2.253 450 HE2 TYR 59 2HE TYR 59 7.744 -10.057 -2.278 451 HH TYR 59 HH TYR 59 9.592 -10.841 -3.541 452 H THR 60 H THR 60 2.827 -14.700 1.089 453 HA THR 60 HA THR 60 2.940 -15.020 3.863 454 HB THR 60 HB THR 60 1.811 -12.840 3.724 455 HG1 THR 60 1HG THR 60 -0.467 -13.892 4.309 456 1HG2 THR 60 1HG2 THR 60 -0.347 -12.570 2.541 457 2HG2 THR 60 2HG2 THR 60 -0.161 -14.190 1.870 458 3HG2 THR 60 3HG2 THR 60 0.980 -12.921 1.430 Start of MODEL 16 1 1H LYS 1 1HT LYS 1 -4.249 -16.747 3.787 2 2H LYS 1 2HT LYS 1 -4.482 -15.161 3.211 3 3H LYS 1 3HT LYS 1 -5.399 -16.423 2.597 4 HA LYS 1 HA LYS 1 -6.667 -15.052 4.157 5 1HB LYS 1 2HB LYS 1 -7.561 -16.880 5.483 6 2HB LYS 1 1HB LYS 1 -7.314 -17.360 3.818 7 1HG LYS 1 2HG LYS 1 -5.348 -18.607 4.424 8 2HG LYS 1 1HG LYS 1 -5.461 -18.031 6.089 9 1HD LYS 1 2HD LYS 1 -7.617 -19.172 6.324 10 2HD LYS 1 1HD LYS 1 -7.486 -19.742 4.659 11 1HE LYS 1 2HE LYS 1 -5.511 -21.015 5.203 12 2HE LYS 1 1HE LYS 1 -5.499 -20.365 6.842 13 1HZ LYS 1 1HZ LYS 1 -7.571 -21.489 7.283 14 2HZ LYS 1 2HZ LYS 1 -6.432 -22.608 6.709 15 3HZ LYS 1 3HZ LYS 1 -7.649 -22.058 5.689 16 H ASP 2 H ASP 2 -3.509 -15.973 5.271 17 HA ASP 2 HA ASP 2 -4.022 -15.284 8.047 18 1HB ASP 2 2HB ASP 2 -2.287 -17.002 7.323 19 2HB ASP 2 1HB ASP 2 -1.383 -15.684 6.598 20 H ARG 3 H ARG 3 -1.876 -13.968 5.710 21 HA ARG 3 HA ARG 3 -1.119 -11.763 5.206 22 1HB ARG 3 2HB ARG 3 -3.718 -10.906 6.431 23 2HB ARG 3 1HB ARG 3 -2.690 -9.964 5.387 24 1HG ARG 3 2HG ARG 3 -3.270 -11.414 3.524 25 2HG ARG 3 1HG ARG 3 -4.290 -12.389 4.607 26 1HD ARG 3 2HD ARG 3 -5.465 -10.279 5.246 27 2HD ARG 3 1HD ARG 3 -4.581 -9.465 3.969 28 HE ARG 3 HE ARG 3 -5.742 -11.262 2.529 29 1HH1 ARG 3 1HH1 ARG 3 -7.094 -9.644 5.382 30 2HH1 ARG 3 2HH1 ARG 3 -8.700 -9.614 4.819 31 1HH2 ARG 3 1HH2 ARG 3 -7.972 -11.195 1.704 32 2HH2 ARG 3 2HH2 ARG 3 -9.204 -10.496 2.627 33 HA PRO 4 HA PRO 4 -0.237 -9.478 9.010 34 1HB PRO 4 2HB PRO 4 0.786 -7.404 7.119 35 2HB PRO 4 1HB PRO 4 1.668 -8.206 8.428 36 1HG PRO 4 2HG PRO 4 2.210 -8.742 5.870 37 2HG PRO 4 1HG PRO 4 2.236 -10.018 7.107 38 1HD PRO 4 2HD PRO 4 0.061 -9.333 5.155 39 2HD PRO 4 1HD PRO 4 0.750 -10.931 5.540 40 H SER 5 H SER 5 -2.044 -8.141 9.684 41 HA SER 5 HA SER 5 -4.174 -7.747 8.093 42 1HB SER 5 2HB SER 5 -5.052 -6.303 9.913 43 2HB SER 5 1HB SER 5 -4.392 -7.858 10.422 44 HG SER 5 HG SER 5 -3.783 -5.565 11.360 45 H LEU 6 H LEU 6 -1.406 -5.664 7.989 46 HA LEU 6 HA LEU 6 -2.937 -3.321 7.329 47 1HB LEU 6 2HB LEU 6 -0.925 -2.086 7.329 48 2HB LEU 6 1HB LEU 6 -0.888 -3.116 8.730 49 HG LEU 6 HG LEU 6 0.674 -3.635 6.186 50 1HD1 LEU 6 1HD1 LEU 6 1.404 -1.580 7.275 51 2HD1 LEU 6 2HD1 LEU 6 2.615 -2.855 7.427 52 3HD1 LEU 6 3HD1 LEU 6 1.589 -2.449 8.800 53 1HD2 LEU 6 1HD2 LEU 6 0.308 -5.666 7.445 54 2HD2 LEU 6 2HD2 LEU 6 0.844 -4.877 8.932 55 3HD2 LEU 6 3HD2 LEU 6 1.982 -5.155 7.617 56 H CYS 7 H CYS 7 -2.934 -5.737 5.612 57 HA CYS 7 HA CYS 7 -2.130 -4.450 3.099 58 1HB CYS 7 2HB CYS 7 -2.890 -7.318 3.694 59 2HB CYS 7 1HB CYS 7 -2.330 -6.703 2.143 60 H ASP 8 H ASP 8 -4.608 -5.254 5.113 61 HA ASP 8 HA ASP 8 -6.798 -5.085 3.188 62 1HB ASP 8 2HB ASP 8 -6.737 -7.020 4.798 63 2HB ASP 8 1HB ASP 8 -6.730 -5.886 6.134 64 H LEU 9 H LEU 9 -5.183 -2.833 3.754 65 HA LEU 9 HA LEU 9 -5.854 -1.522 6.198 66 1HB LEU 9 2HB LEU 9 -3.942 -0.147 5.700 67 2HB LEU 9 1HB LEU 9 -3.499 -1.815 5.496 68 HG LEU 9 HG LEU 9 -2.336 -0.673 3.851 69 1HD1 LEU 9 1HD1 LEU 9 -3.122 -1.292 1.661 70 2HD1 LEU 9 2HD1 LEU 9 -4.678 -1.738 2.369 71 3HD1 LEU 9 3HD1 LEU 9 -3.215 -2.596 2.844 72 1HD2 LEU 9 1HD2 LEU 9 -3.339 1.484 3.939 73 2HD2 LEU 9 2HD2 LEU 9 -4.789 0.901 3.136 74 3HD2 LEU 9 3HD2 LEU 9 -3.260 0.966 2.256 75 HA PRO 10 HA PRO 10 -8.411 1.252 4.301 76 1HB PRO 10 2HB PRO 10 -7.680 3.755 5.240 77 2HB PRO 10 1HB PRO 10 -8.659 2.584 6.130 78 1HG PRO 10 2HG PRO 10 -5.745 3.167 6.339 79 2HG PRO 10 1HG PRO 10 -6.904 2.745 7.615 80 1HD PRO 10 2HD PRO 10 -5.123 0.984 6.544 81 2HD PRO 10 1HD PRO 10 -6.687 0.505 7.237 82 H ALA 11 H ALA 11 -8.102 1.321 2.121 83 HA ALA 11 HA ALA 11 -5.747 2.630 0.786 84 1HB ALA 11 1HB ALA 11 -8.480 1.623 -0.207 85 2HB ALA 11 2HB ALA 11 -6.966 0.748 -0.448 86 3HB ALA 11 3HB ALA 11 -7.221 2.302 -1.241 87 H ASP 12 H ASP 12 -5.582 4.296 1.630 88 HA ASP 12 HA ASP 12 -7.679 6.282 1.229 89 1HB ASP 12 2HB ASP 12 -7.790 5.511 3.591 90 2HB ASP 12 1HB ASP 12 -6.146 6.102 3.811 91 H SER 13 H SER 13 -7.295 8.175 0.502 92 HA SER 13 HA SER 13 -4.523 8.556 -0.500 93 1HB SER 13 2HB SER 13 -7.055 9.940 -1.364 94 2HB SER 13 1HB SER 13 -5.499 9.902 -2.197 95 HG SER 13 HG SER 13 -7.520 8.048 -2.029 96 H GLY 14 H GLY 14 -6.594 9.729 1.871 97 1HA GLY 14 2HA GLY 14 -6.435 11.586 3.244 98 2HA GLY 14 1HA GLY 14 -4.835 11.885 2.559 99 H SER 15 H SER 15 -7.008 14.152 2.967 100 HA SER 15 HA SER 15 -7.017 14.646 0.241 101 1HB SER 15 2HB SER 15 -9.332 14.314 1.202 102 2HB SER 15 1HB SER 15 -8.986 15.576 2.380 103 HG SER 15 HG SER 15 -8.751 16.998 0.614 104 H GLY 16 H GLY 16 -4.685 15.091 1.439 105 1HA GLY 16 2HA GLY 16 -4.489 17.610 2.645 106 2HA GLY 16 1HA GLY 16 -3.200 16.554 2.112 107 H THR 17 H THR 17 -2.466 18.848 1.729 108 HA THR 17 HA THR 17 -3.492 20.030 -0.761 109 HB THR 17 HB THR 17 -1.504 21.177 1.194 110 HG1 THR 17 1HG THR 17 -3.898 22.250 1.559 111 1HG2 THR 17 1HG2 THR 17 -3.457 22.425 -0.757 112 2HG2 THR 17 2HG2 THR 17 -1.716 22.292 -0.998 113 3HG2 THR 17 3HG2 THR 17 -2.357 23.307 0.299 114 H LYS 18 H LYS 18 -0.922 17.861 0.016 115 HA LYS 18 HA LYS 18 1.041 18.913 -1.924 116 1HB LYS 18 2HB LYS 18 1.632 18.746 0.571 117 2HB LYS 18 1HB LYS 18 1.160 17.067 0.488 118 1HG LYS 18 2HG LYS 18 3.487 17.084 0.394 119 2HG LYS 18 1HG LYS 18 2.961 16.797 -1.261 120 1HD LYS 18 2HD LYS 18 3.365 19.119 -1.820 121 2HD LYS 18 1HD LYS 18 3.800 19.466 -0.141 122 1HE LYS 18 2HE LYS 18 5.243 17.597 -2.018 123 2HE LYS 18 1HE LYS 18 5.805 19.182 -1.484 124 1HZ LYS 18 1HZ LYS 18 5.335 16.846 0.299 125 2HZ LYS 18 2HZ LYS 18 5.943 18.353 0.773 126 3HZ LYS 18 3HZ LYS 18 6.848 17.341 -0.229 127 H ALA 19 H ALA 19 1.998 17.139 -3.163 128 HA ALA 19 HA ALA 19 0.273 14.714 -3.321 129 1HB ALA 19 1HB ALA 19 1.878 16.012 -5.545 130 2HB ALA 19 2HB ALA 19 0.121 16.109 -5.383 131 3HB ALA 19 3HB ALA 19 0.893 14.556 -5.687 132 H GLU 20 H GLU 20 1.227 12.767 -3.078 133 HA GLU 20 HA GLU 20 4.156 12.678 -3.079 134 1HB GLU 20 2HB GLU 20 3.358 13.327 -0.828 135 2HB GLU 20 1HB GLU 20 2.446 11.830 -0.745 136 1HG GLU 20 2HG GLU 20 4.513 11.667 0.457 137 2HG GLU 20 1HG GLU 20 4.503 10.568 -0.932 138 H LYS 21 H LYS 21 4.866 10.650 -3.743 139 HA LYS 21 HA LYS 21 2.880 8.732 -4.848 140 1HB LYS 21 2HB LYS 21 4.785 9.795 -6.207 141 2HB LYS 21 1HB LYS 21 5.888 8.980 -5.127 142 1HG LYS 21 2HG LYS 21 3.884 7.528 -6.847 143 2HG LYS 21 1HG LYS 21 5.491 7.944 -7.396 144 1HD LYS 21 2HD LYS 21 4.914 6.180 -5.006 145 2HD LYS 21 1HD LYS 21 5.187 5.570 -6.629 146 1HE LYS 21 2HE LYS 21 7.260 5.319 -5.612 147 2HE LYS 21 1HE LYS 21 7.438 6.828 -6.491 148 1HZ LYS 21 1HZ LYS 21 8.346 6.946 -4.213 149 2HZ LYS 21 2HZ LYS 21 6.833 6.588 -3.591 150 3HZ LYS 21 3HZ LYS 21 7.090 8.043 -4.391 151 H ARG 22 H ARG 22 2.142 7.288 -3.236 152 HA ARG 22 HA ARG 22 4.370 6.062 -1.932 153 1HB ARG 22 2HB ARG 22 1.484 6.267 -1.110 154 2HB ARG 22 1HB ARG 22 2.763 5.495 -0.202 155 1HG ARG 22 2HG ARG 22 2.684 8.417 -0.895 156 2HG ARG 22 1HG ARG 22 2.120 7.731 0.626 157 1HD ARG 22 2HD ARG 22 4.393 6.891 1.048 158 2HD ARG 22 1HD ARG 22 4.935 7.646 -0.454 159 HE ARG 22 HE ARG 22 3.850 9.710 0.736 160 1HH1 ARG 22 1HH1 ARG 22 5.961 7.299 2.177 161 2HH1 ARG 22 2HH1 ARG 22 6.708 8.382 3.272 162 1HH2 ARG 22 1HH2 ARG 22 4.845 11.215 2.281 163 2HH2 ARG 22 2HH2 ARG 22 6.051 10.630 3.314 164 H ILE 23 H ILE 23 3.432 3.492 -1.290 165 HA ILE 23 HA ILE 23 1.594 2.710 -3.422 166 HB ILE 23 HB ILE 23 3.949 2.210 -4.247 167 1HG1 ILE 23 2HG1 ILE 23 2.438 -0.330 -3.630 168 2HG1 ILE 23 1HG1 ILE 23 2.025 0.783 -4.931 169 1HG2 ILE 23 1HG2 ILE 23 5.026 1.733 -2.068 170 2HG2 ILE 23 2HG2 ILE 23 5.219 0.398 -3.229 171 3HG2 ILE 23 3HG2 ILE 23 4.032 0.265 -1.953 172 1HD1 ILE 23 1HD1 ILE 23 4.188 0.380 -5.974 173 2HD1 ILE 23 2HD1 ILE 23 3.297 -1.131 -5.744 174 3HD1 ILE 23 3HD1 ILE 23 4.627 -0.711 -4.662 175 H TYR 24 H TYR 24 0.268 0.925 -2.862 176 HA TYR 24 HA TYR 24 0.832 -0.363 -0.373 177 1HB TYR 24 2HB TYR 24 -1.526 -0.109 0.499 178 2HB TYR 24 1HB TYR 24 -0.551 1.345 0.544 179 HD1 TYR 24 1HD TYR 24 -2.037 0.430 -2.684 180 HD2 TYR 24 2HD TYR 24 -2.644 2.550 0.943 181 HE1 TYR 24 1HE TYR 24 -3.890 1.659 -3.720 182 HE2 TYR 24 2HE TYR 24 -4.489 3.783 -0.082 183 HH TYR 24 HH TYR 24 -5.818 2.906 -3.142 184 H TYR 25 H TYR 25 -1.127 -2.203 0.012 185 HA TYR 25 HA TYR 25 -0.863 -3.716 -2.230 186 1HB TYR 25 2HB TYR 25 -0.550 -4.518 -0.048 187 2HB TYR 25 1HB TYR 25 -2.157 -4.035 0.439 188 HD1 TYR 25 1HD TYR 25 -3.907 -5.561 0.329 189 HD2 TYR 25 2HD TYR 25 -0.322 -6.436 -1.767 190 HE1 TYR 25 1HE TYR 25 -4.691 -7.842 -0.023 191 HE2 TYR 25 2HE TYR 25 -1.110 -8.747 -2.136 192 HH TYR 25 HH TYR 25 -2.710 -10.348 -0.968 193 H ASN 26 H ASN 26 -2.689 -4.202 -3.711 194 HA ASN 26 HA ASN 26 -5.419 -3.320 -2.928 195 1HB ASN 26 2HB ASN 26 -4.663 -2.627 -5.245 196 2HB ASN 26 1HB ASN 26 -4.463 -4.343 -5.625 197 1HD2 ASN 26 1HD2 ASN 26 -6.729 -1.782 -4.973 198 2HD2 ASN 26 2HD2 ASN 26 -8.136 -2.632 -5.483 199 H SER 27 H SER 27 -6.678 -4.512 -2.272 200 HA SER 27 HA SER 27 -5.787 -6.993 -1.618 201 1HB SER 27 2HB SER 27 -8.528 -5.867 -1.105 202 2HB SER 27 1HB SER 27 -7.989 -7.403 -0.428 203 HG SER 27 HG SER 27 -6.761 -4.860 -0.041 204 H ALA 28 H ALA 28 -8.164 -6.033 -3.998 205 HA ALA 28 HA ALA 28 -9.248 -8.611 -4.469 206 1HB ALA 28 1HB ALA 28 -9.321 -6.120 -6.162 207 2HB ALA 28 2HB ALA 28 -10.507 -6.599 -4.950 208 3HB ALA 28 3HB ALA 28 -10.301 -7.564 -6.417 209 H ARG 29 H ARG 29 -6.872 -6.584 -5.939 210 HA ARG 29 HA ARG 29 -6.258 -8.427 -8.121 211 1HB ARG 29 2HB ARG 29 -4.943 -5.809 -7.408 212 2HB ARG 29 1HB ARG 29 -4.258 -6.879 -8.612 213 1HG ARG 29 2HG ARG 29 -5.492 -5.136 -9.706 214 2HG ARG 29 1HG ARG 29 -6.338 -6.663 -9.937 215 1HD ARG 29 2HD ARG 29 -7.961 -6.079 -8.303 216 2HD ARG 29 1HD ARG 29 -7.026 -4.675 -7.797 217 HE ARG 29 HE ARG 29 -7.648 -4.438 -10.516 218 1HH1 ARG 29 1HH1 ARG 29 -9.105 -4.265 -7.336 219 2HH1 ARG 29 2HH1 ARG 29 -10.401 -3.249 -7.753 220 1HH2 ARG 29 1HH2 ARG 29 -9.450 -3.022 -11.205 221 2HH2 ARG 29 2HH2 ARG 29 -10.580 -2.514 -10.035 222 H LYS 30 H LYS 30 -5.368 -8.228 -5.010 223 HA LYS 30 HA LYS 30 -3.649 -8.882 -3.613 224 1HB LYS 30 2HB LYS 30 -4.448 -11.095 -4.501 225 2HB LYS 30 1HB LYS 30 -3.241 -10.999 -5.774 226 1HG LYS 30 2HG LYS 30 -1.513 -10.902 -3.890 227 2HG LYS 30 1HG LYS 30 -2.825 -11.382 -2.821 228 1HD LYS 30 2HD LYS 30 -3.169 -13.396 -4.155 229 2HD LYS 30 1HD LYS 30 -1.867 -12.902 -5.241 230 1HE LYS 30 2HE LYS 30 -0.351 -12.879 -3.227 231 2HE LYS 30 1HE LYS 30 -1.662 -13.644 -2.328 232 1HZ LYS 30 1HZ LYS 30 -1.613 -15.457 -3.989 233 2HZ LYS 30 2HZ LYS 30 -0.143 -15.306 -3.143 234 3HZ LYS 30 3HZ LYS 30 -0.278 -14.723 -4.715 235 H GLN 31 H GLN 31 -2.987 -7.005 -5.245 236 HA GLN 31 HA GLN 31 0.076 -7.041 -5.560 237 1HB GLN 31 2HB GLN 31 0.199 -6.413 -7.765 238 2HB GLN 31 1HB GLN 31 -0.984 -7.707 -7.751 239 1HG GLN 31 2HG GLN 31 -2.766 -5.998 -7.850 240 2HG GLN 31 1HG GLN 31 -1.515 -4.760 -7.981 241 1HE2 GLN 31 1HE2 GLN 31 -3.531 -5.378 -9.875 242 2HE2 GLN 31 2HE2 GLN 31 -2.774 -5.903 -11.324 243 H CYS 32 H CYS 32 1.406 -5.167 -5.562 244 HA CYS 32 HA CYS 32 0.261 -3.259 -3.942 245 1HB CYS 32 2HB CYS 32 2.884 -3.633 -5.340 246 2HB CYS 32 1HB CYS 32 2.514 -2.348 -4.211 247 H LEU 33 H LEU 33 -0.257 -1.160 -4.639 248 HA LEU 33 HA LEU 33 0.444 -0.308 -7.353 249 1HB LEU 33 2HB LEU 33 -1.746 0.215 -8.011 250 2HB LEU 33 1HB LEU 33 -1.823 -1.422 -7.419 251 HG LEU 33 HG LEU 33 -2.787 1.036 -5.943 252 1HD1 LEU 33 1HD1 LEU 33 -4.152 0.543 -7.868 253 2HD1 LEU 33 2HD1 LEU 33 -5.023 0.149 -6.383 254 3HD1 LEU 33 3HD1 LEU 33 -4.310 -1.137 -7.356 255 1HD2 LEU 33 1HD2 LEU 33 -2.110 -0.639 -4.361 256 2HD2 LEU 33 2HD2 LEU 33 -2.945 -1.888 -5.259 257 3HD2 LEU 33 3HD2 LEU 33 -3.877 -0.625 -4.435 258 H ARG 34 H ARG 34 0.577 1.696 -7.635 259 HA ARG 34 HA ARG 34 1.136 3.379 -5.405 260 1HB ARG 34 2HB ARG 34 2.496 3.203 -7.485 261 2HB ARG 34 1HB ARG 34 1.153 3.820 -8.403 262 1HG ARG 34 2HG ARG 34 2.649 5.416 -6.312 263 2HG ARG 34 1HG ARG 34 3.080 5.392 -8.006 264 1HD ARG 34 2HD ARG 34 0.531 6.131 -8.286 265 2HD ARG 34 1HD ARG 34 0.772 6.669 -6.624 266 HE ARG 34 HE ARG 34 2.629 7.490 -8.738 267 1HH1 ARG 34 1HH1 ARG 34 0.385 8.429 -6.158 268 2HH1 ARG 34 2HH1 ARG 34 0.566 10.103 -6.407 269 1HH2 ARG 34 1HH2 ARG 34 2.970 9.794 -8.988 270 2HH2 ARG 34 2HH2 ARG 34 2.091 10.897 -8.021 271 H PHE 35 H PHE 35 0.075 5.048 -4.897 272 HA PHE 35 HA PHE 35 -2.358 5.371 -6.139 273 1HB PHE 35 2HB PHE 35 -3.637 5.912 -3.940 274 2HB PHE 35 1HB PHE 35 -3.031 4.291 -4.198 275 HD1 PHE 35 1HD PHE 35 -3.372 6.885 -1.908 276 HD2 PHE 35 2HD PHE 35 -0.609 3.875 -3.104 277 HE1 PHE 35 1HE PHE 35 -2.338 6.946 0.316 278 HE2 PHE 35 2HE PHE 35 0.428 3.944 -0.883 279 HZ PHE 35 HZ PHE 35 -0.442 5.476 0.835 280 H ASP 36 H ASP 36 -3.226 8.046 -5.154 281 HA ASP 36 HA ASP 36 -0.712 9.427 -5.037 282 1HB ASP 36 2HB ASP 36 -2.407 9.870 -6.926 283 2HB ASP 36 1HB ASP 36 -3.331 10.738 -5.702 284 H TYR 37 H TYR 37 -0.381 9.210 -2.954 285 HA TYR 37 HA TYR 37 -2.290 9.878 -0.898 286 1HB TYR 37 2HB TYR 37 -0.543 8.143 -0.673 287 2HB TYR 37 1HB TYR 37 0.691 9.363 -0.868 288 HD1 TYR 37 1HD TYR 37 1.446 10.635 1.008 289 HD2 TYR 37 2HD TYR 37 -2.064 8.263 1.357 290 HE1 TYR 37 1HE TYR 37 1.412 11.046 3.424 291 HE2 TYR 37 2HE TYR 37 -2.103 8.668 3.772 292 HH TYR 37 HH TYR 37 -0.275 11.063 5.223 293 H THR 38 H THR 38 -2.378 11.983 0.185 294 HA THR 38 HA THR 38 -0.850 13.765 -1.436 295 HB THR 38 HB THR 38 -2.424 15.399 -0.302 296 HG1 THR 38 1HG THR 38 -4.044 13.147 0.113 297 1HG2 THR 38 1HG2 THR 38 -2.640 14.590 -2.633 298 2HG2 THR 38 2HG2 THR 38 -4.214 14.781 -1.864 299 3HG2 THR 38 3HG2 THR 38 -3.516 13.173 -2.052 300 H GLY 39 H GLY 39 -1.272 13.374 2.155 301 1HA GLY 39 2HA GLY 39 1.023 13.305 3.241 302 2HA GLY 39 1HA GLY 39 1.351 14.736 2.287 303 H GLN 40 H GLN 40 -1.878 15.060 3.298 304 HA GLN 40 HA GLN 40 -1.175 15.757 5.954 305 1HB GLN 40 2HB GLN 40 -1.229 17.800 4.526 306 2HB GLN 40 1HB GLN 40 -2.807 17.329 3.928 307 1HG GLN 40 2HG GLN 40 -3.069 19.081 5.521 308 2HG GLN 40 1HG GLN 40 -3.721 17.591 6.186 309 1HE2 GLN 40 1HE2 GLN 40 -2.733 20.056 7.480 310 2HE2 GLN 40 2HE2 GLN 40 -1.549 19.531 8.618 311 H GLY 41 H GLY 41 -2.718 14.237 7.094 312 1HA GLY 41 2HA GLY 41 -4.943 13.724 7.518 313 2HA GLY 41 1HA GLY 41 -5.384 14.458 5.993 314 H GLY 42 H GLY 42 -3.205 11.683 6.726 315 1HA GLY 42 2HA GLY 42 -4.848 10.127 4.837 316 2HA GLY 42 1HA GLY 42 -3.094 10.083 4.839 317 H ASN 43 H ASN 43 -2.990 7.782 5.214 318 HA ASN 43 HA ASN 43 -4.092 6.539 7.674 319 1HB ASN 43 2HB ASN 43 -3.753 4.550 6.334 320 2HB ASN 43 1HB ASN 43 -4.927 5.604 5.567 321 1HD2 ASN 43 1HD2 ASN 43 -4.502 4.399 3.652 322 2HD2 ASN 43 2HD2 ASN 43 -3.115 4.773 2.684 323 H GLU 44 H GLU 44 -2.873 4.905 8.366 324 HA GLU 44 HA GLU 44 0.004 5.545 8.985 325 1HB GLU 44 2HB GLU 44 -1.827 3.361 9.925 326 2HB GLU 44 1HB GLU 44 -0.233 3.766 10.547 327 1HG GLU 44 2HG GLU 44 -2.704 5.475 10.708 328 2HG GLU 44 1HG GLU 44 -1.948 4.588 12.032 329 H ASN 45 H ASN 45 -1.534 3.613 6.691 330 HA ASN 45 HA ASN 45 0.853 1.917 6.487 331 1HB ASN 45 2HB ASN 45 -1.421 0.961 6.112 332 2HB ASN 45 1HB ASN 45 -1.611 2.025 4.726 333 1HD2 ASN 45 1HD2 ASN 45 -0.069 -0.792 5.979 334 2HD2 ASN 45 2HD2 ASN 45 0.501 -1.368 4.458 335 H ASN 46 H ASN 46 2.397 4.190 5.770 336 HA ASN 46 HA ASN 46 2.445 4.303 3.144 337 1HB ASN 46 2HB ASN 46 3.318 5.896 4.689 338 2HB ASN 46 1HB ASN 46 4.328 4.683 5.451 339 1HD2 ASN 46 1HD2 ASN 46 6.226 5.520 5.165 340 2HD2 ASN 46 2HD2 ASN 46 7.018 5.867 3.688 341 H PHE 47 H PHE 47 3.446 3.125 1.631 342 HA PHE 47 HA PHE 47 5.740 1.626 2.454 343 1HB PHE 47 2HB PHE 47 3.885 0.911 0.164 344 2HB PHE 47 1HB PHE 47 5.439 0.134 0.437 345 HD1 PHE 47 1HD PHE 47 2.093 -0.267 0.835 346 HD2 PHE 47 2HD PHE 47 5.682 -0.625 3.057 347 HE1 PHE 47 1HE PHE 47 0.984 -1.847 2.348 348 HE2 PHE 47 2HE PHE 47 4.590 -2.205 4.586 349 HZ PHE 47 HZ PHE 47 2.230 -2.820 4.225 350 H ARG 48 H ARG 48 7.415 2.634 1.531 351 HA ARG 48 HA ARG 48 7.132 4.594 -0.835 352 1HB ARG 48 2HB ARG 48 7.907 5.529 1.393 353 2HB ARG 48 1HB ARG 48 9.355 4.541 1.164 354 1HG ARG 48 2HG ARG 48 10.190 5.947 -0.371 355 2HG ARG 48 1HG ARG 48 8.671 5.982 -1.261 356 1HD ARG 48 2HD ARG 48 9.024 8.245 -0.628 357 2HD ARG 48 1HD ARG 48 7.856 7.684 0.483 358 HE ARG 48 HE ARG 48 10.281 7.130 1.679 359 1HH1 ARG 48 1HH1 ARG 48 8.594 10.047 0.572 360 2HH1 ARG 48 2HH1 ARG 48 9.335 11.089 1.702 361 1HH2 ARG 48 1HH2 ARG 48 11.361 8.578 3.194 362 2HH2 ARG 48 2HH2 ARG 48 10.924 10.217 3.266 363 H ARG 49 H ARG 49 8.155 1.374 -0.222 364 HA ARG 49 HA ARG 49 9.754 1.668 -2.550 365 1HB ARG 49 2HB ARG 49 11.235 1.628 -0.639 366 2HB ARG 49 1HB ARG 49 10.398 0.251 0.043 367 1HG ARG 49 2HG ARG 49 12.458 -0.515 -0.795 368 2HG ARG 49 1HG ARG 49 11.215 -1.087 -1.902 369 1HD ARG 49 2HD ARG 49 11.750 0.773 -3.421 370 2HD ARG 49 1HD ARG 49 13.025 1.289 -2.318 371 HE ARG 49 HE ARG 49 13.351 -1.426 -2.945 372 1HH1 ARG 49 1HH1 ARG 49 14.006 1.798 -4.230 373 2HH1 ARG 49 2HH1 ARG 49 15.058 1.257 -5.456 374 1HH2 ARG 49 1HH2 ARG 49 14.830 -2.172 -4.587 375 2HH2 ARG 49 2HH2 ARG 49 15.560 -1.065 -5.658 376 H THR 50 H THR 50 9.470 -0.281 -3.880 377 HA THR 50 HA THR 50 6.969 -1.521 -3.589 378 HB THR 50 HB THR 50 9.123 -2.228 -5.592 379 HG1 THR 50 1HG THR 50 8.879 -0.141 -5.907 380 1HG2 THR 50 1HG2 THR 50 7.192 -2.774 -7.034 381 2HG2 THR 50 2HG2 THR 50 6.093 -2.387 -5.708 382 3HG2 THR 50 3HG2 THR 50 7.188 -3.762 -5.575 383 H TYR 51 H TYR 51 10.230 -2.793 -2.885 384 HA TYR 51 HA TYR 51 9.231 -5.468 -2.588 385 1HB TYR 51 2HB TYR 51 11.623 -5.163 -2.993 386 2HB TYR 51 1HB TYR 51 11.788 -4.236 -1.506 387 HD1 TYR 51 1HD TYR 51 12.724 -5.367 0.282 388 HD2 TYR 51 2HD TYR 51 10.448 -7.575 -2.545 389 HE1 TYR 51 1HE TYR 51 13.145 -7.428 1.553 390 HE2 TYR 51 2HE TYR 51 10.869 -9.639 -1.289 391 HH TYR 51 HH TYR 51 12.371 -10.535 0.296 392 H ASP 52 H ASP 52 9.514 -2.744 -0.486 393 HA ASP 52 HA ASP 52 8.977 -4.030 2.001 394 1HB ASP 52 2HB ASP 52 8.121 -1.287 1.024 395 2HB ASP 52 1HB ASP 52 7.944 -1.840 2.679 396 H CYS 53 H CYS 53 6.612 -2.685 -0.258 397 HA CYS 53 HA CYS 53 4.326 -3.539 1.206 398 1HB CYS 53 2HB CYS 53 3.029 -3.125 -0.706 399 2HB CYS 53 1HB CYS 53 4.297 -1.916 -0.656 400 H GLN 54 H GLN 54 5.864 -4.825 -1.301 401 HA GLN 54 HA GLN 54 4.736 -7.415 -1.791 402 1HB GLN 54 2HB GLN 54 6.144 -6.646 -3.429 403 2HB GLN 54 1HB GLN 54 7.577 -6.609 -2.375 404 1HG GLN 54 2HG GLN 54 7.418 -9.097 -2.331 405 2HG GLN 54 1HG GLN 54 6.093 -8.968 -3.492 406 1HE2 GLN 54 1HE2 GLN 54 6.558 -8.302 -5.613 407 2HE2 GLN 54 2HE2 GLN 54 8.171 -8.365 -6.223 408 H ARG 55 H ARG 55 7.416 -6.762 0.223 409 HA ARG 55 HA ARG 55 7.781 -9.466 1.270 410 1HB ARG 55 2HB ARG 55 9.519 -7.634 1.314 411 2HB ARG 55 1HB ARG 55 8.525 -6.813 2.505 412 1HG ARG 55 2HG ARG 55 8.828 -8.729 4.015 413 2HG ARG 55 1HG ARG 55 9.895 -9.467 2.813 414 1HD ARG 55 2HD ARG 55 11.286 -7.436 2.867 415 2HD ARG 55 1HD ARG 55 10.280 -6.816 4.171 416 HE ARG 55 HE ARG 55 11.517 -9.398 4.568 417 1HH1 ARG 55 1HH1 ARG 55 11.405 -5.964 5.375 418 2HH1 ARG 55 2HH1 ARG 55 12.722 -6.020 6.471 419 1HH2 ARG 55 1HH2 ARG 55 13.298 -9.485 6.143 420 2HH2 ARG 55 2HH2 ARG 55 13.784 -8.073 6.952 421 H THR 56 H THR 56 5.931 -6.546 2.545 422 HA THR 56 HA THR 56 5.177 -8.265 4.523 423 HB THR 56 HB THR 56 5.261 -5.927 5.009 424 HG1 THR 56 1HG THR 56 2.847 -7.303 5.298 425 1HG2 THR 56 1HG2 THR 56 4.579 -5.035 2.851 426 2HG2 THR 56 2HG2 THR 56 3.601 -4.356 4.156 427 3HG2 THR 56 3HG2 THR 56 2.938 -5.621 3.121 428 H CYS 57 H CYS 57 3.469 -7.423 1.476 429 HA CYS 57 HA CYS 57 1.157 -8.886 2.497 430 1HB CYS 57 2HB CYS 57 1.311 -6.970 0.188 431 2HB CYS 57 1HB CYS 57 -0.130 -7.777 0.791 432 H LEU 58 H LEU 58 3.633 -9.368 0.254 433 HA LEU 58 HA LEU 58 1.936 -11.201 -1.189 434 1HB LEU 58 2HB LEU 58 3.159 -9.559 -2.504 435 2HB LEU 58 1HB LEU 58 4.679 -10.185 -1.907 436 HG LEU 58 HG LEU 58 4.224 -12.327 -3.068 437 1HD1 LEU 58 1HD1 LEU 58 1.826 -10.864 -4.175 438 2HD1 LEU 58 2HD1 LEU 58 1.786 -12.244 -3.077 439 3HD1 LEU 58 3HD1 LEU 58 2.413 -12.435 -4.715 440 1HD2 LEU 58 1HD2 LEU 58 5.554 -10.615 -4.156 441 2HD2 LEU 58 2HD2 LEU 58 4.100 -9.867 -4.810 442 3HD2 LEU 58 3HD2 LEU 58 4.577 -11.479 -5.341 443 H TYR 59 H TYR 59 4.567 -11.106 1.050 444 HA TYR 59 HA TYR 59 5.145 -13.855 0.520 445 1HB TYR 59 2HB TYR 59 6.732 -11.813 2.073 446 2HB TYR 59 1HB TYR 59 7.122 -13.532 2.091 447 HD1 TYR 59 1HD TYR 59 7.569 -14.665 -0.114 448 HD2 TYR 59 2HD TYR 59 7.513 -10.442 0.309 449 HE1 TYR 59 1HE TYR 59 8.827 -14.450 -2.204 450 HE2 TYR 59 2HE TYR 59 8.774 -10.212 -1.788 451 HH TYR 59 HH TYR 59 9.099 -12.788 -3.926 452 H THR 60 H THR 60 3.189 -14.691 1.504 453 HA THR 60 HA THR 60 3.177 -14.769 4.299 454 HB THR 60 HB THR 60 1.835 -12.754 4.003 455 HG1 THR 60 1HG THR 60 0.910 -14.222 5.435 456 1HG2 THR 60 1HG2 THR 60 0.267 -14.226 1.881 457 2HG2 THR 60 2HG2 THR 60 1.391 -12.897 1.613 458 3HG2 THR 60 3HG2 THR 60 -0.107 -12.619 2.501 Start of MODEL 17 1 1H LYS 1 1HT LYS 1 2.727 -16.285 10.019 2 2H LYS 1 2HT LYS 1 1.046 -16.231 9.943 3 3H LYS 1 3HT LYS 1 1.913 -14.866 9.548 4 HA LYS 1 HA LYS 1 2.826 -15.972 7.615 5 1HB LYS 1 2HB LYS 1 2.741 -18.290 8.644 6 2HB LYS 1 1HB LYS 1 1.003 -18.262 8.505 7 1HG LYS 1 2HG LYS 1 2.870 -18.205 6.122 8 2HG LYS 1 1HG LYS 1 2.247 -19.686 6.839 9 1HD LYS 1 2HD LYS 1 -0.071 -18.797 6.377 10 2HD LYS 1 1HD LYS 1 0.690 -17.485 5.481 11 1HE LYS 1 2HE LYS 1 0.924 -20.438 4.872 12 2HE LYS 1 1HE LYS 1 -0.046 -19.269 3.985 13 1HZ LYS 1 1HZ LYS 1 2.932 -19.272 4.177 14 2HZ LYS 1 2HZ LYS 1 2.013 -18.105 3.405 15 3HZ LYS 1 3HZ LYS 1 2.002 -19.690 2.825 16 H ASP 2 H ASP 2 -0.494 -15.871 8.857 17 HA ASP 2 HA ASP 2 -1.577 -15.239 6.296 18 1HB ASP 2 2HB ASP 2 -3.027 -16.081 8.166 19 2HB ASP 2 1HB ASP 2 -2.682 -14.613 9.070 20 H ARG 3 H ARG 3 -2.530 -13.170 5.705 21 HA ARG 3 HA ARG 3 -0.529 -11.259 5.352 22 1HB ARG 3 2HB ARG 3 -3.493 -10.796 5.154 23 2HB ARG 3 1HB ARG 3 -2.210 -10.059 4.211 24 1HG ARG 3 2HG ARG 3 -2.265 -11.687 2.683 25 2HG ARG 3 1HG ARG 3 -2.370 -12.959 3.913 26 1HD ARG 3 2HD ARG 3 -4.640 -11.210 2.950 27 2HD ARG 3 1HD ARG 3 -4.421 -12.930 2.599 28 HE ARG 3 HE ARG 3 -4.567 -13.263 5.086 29 1HH1 ARG 3 1HH1 ARG 3 -6.452 -10.739 3.452 30 2HH1 ARG 3 2HH1 ARG 3 -7.421 -10.411 4.783 31 1HH2 ARG 3 1HH2 ARG 3 -5.844 -12.793 6.919 32 2HH2 ARG 3 2HH2 ARG 3 -7.066 -11.597 6.853 33 HA PRO 4 HA PRO 4 -1.140 -8.842 9.223 34 1HB PRO 4 2HB PRO 4 0.064 -6.769 7.450 35 2HB PRO 4 1HB PRO 4 0.565 -7.265 9.072 36 1HG PRO 4 2HG PRO 4 2.005 -7.958 6.966 37 2HG PRO 4 1HG PRO 4 1.735 -9.111 8.287 38 1HD PRO 4 2HD PRO 4 0.437 -8.971 5.595 39 2HD PRO 4 1HD PRO 4 0.973 -10.391 6.518 40 H SER 5 H SER 5 -2.924 -7.599 9.702 41 HA SER 5 HA SER 5 -4.916 -7.303 7.905 42 1HB SER 5 2HB SER 5 -4.616 -5.910 10.541 43 2HB SER 5 1HB SER 5 -6.132 -6.148 9.662 44 HG SER 5 HG SER 5 -6.156 -8.174 10.188 45 H LEU 6 H LEU 6 -2.264 -5.241 7.865 46 HA LEU 6 HA LEU 6 -3.733 -2.791 7.411 47 1HB LEU 6 2HB LEU 6 -1.734 -1.645 7.363 48 2HB LEU 6 1HB LEU 6 -1.395 -2.937 8.485 49 HG LEU 6 HG LEU 6 -0.489 -2.852 5.598 50 1HD1 LEU 6 1HD1 LEU 6 0.590 -1.146 6.914 51 2HD1 LEU 6 2HD1 LEU 6 1.730 -2.438 6.528 52 3HD1 LEU 6 3HD1 LEU 6 1.020 -2.335 8.142 53 1HD2 LEU 6 1HD2 LEU 6 -0.728 -5.136 6.448 54 2HD2 LEU 6 2HD2 LEU 6 0.292 -4.724 7.826 55 3HD2 LEU 6 3HD2 LEU 6 0.962 -4.708 6.195 56 H CYS 7 H CYS 7 -2.993 -5.429 5.562 57 HA CYS 7 HA CYS 7 -2.548 -4.103 3.077 58 1HB CYS 7 2HB CYS 7 -3.325 -6.957 3.656 59 2HB CYS 7 1HB CYS 7 -2.606 -6.333 2.170 60 H ASP 8 H ASP 8 -5.225 -5.019 4.966 61 HA ASP 8 HA ASP 8 -7.253 -4.789 2.848 62 1HB ASP 8 2HB ASP 8 -7.315 -6.737 4.414 63 2HB ASP 8 1HB ASP 8 -7.491 -5.629 5.765 64 H LEU 9 H LEU 9 -5.751 -2.337 3.790 65 HA LEU 9 HA LEU 9 -7.412 -1.301 5.870 66 1HB LEU 9 2HB LEU 9 -4.831 -1.672 6.229 67 2HB LEU 9 1HB LEU 9 -4.640 -0.441 5.016 68 HG LEU 9 HG LEU 9 -4.286 0.434 7.255 69 1HD1 LEU 9 1HD1 LEU 9 -5.777 2.339 7.250 70 2HD1 LEU 9 2HD1 LEU 9 -6.799 1.542 6.057 71 3HD1 LEU 9 3HD1 LEU 9 -5.142 1.990 5.645 72 1HD2 LEU 9 1HD2 LEU 9 -7.122 -0.395 7.799 73 2HD2 LEU 9 2HD2 LEU 9 -6.123 0.588 8.868 74 3HD2 LEU 9 3HD2 LEU 9 -5.664 -1.081 8.516 75 HA PRO 10 HA PRO 10 -9.031 0.714 2.272 76 1HB PRO 10 2HB PRO 10 -9.115 3.128 3.740 77 2HB PRO 10 1HB PRO 10 -10.456 2.046 3.383 78 1HG PRO 10 2HG PRO 10 -8.852 2.314 5.848 79 2HG PRO 10 1HG PRO 10 -10.507 1.713 5.645 80 1HD PRO 10 2HD PRO 10 -8.477 0.079 6.189 81 2HD PRO 10 1HD PRO 10 -9.796 -0.414 5.101 82 H ALA 11 H ALA 11 -8.221 1.813 0.903 83 HA ALA 11 HA ALA 11 -5.616 3.243 0.910 84 1HB ALA 11 1HB ALA 11 -7.654 2.577 -1.233 85 2HB ALA 11 2HB ALA 11 -6.131 1.733 -0.980 86 3HB ALA 11 3HB ALA 11 -6.129 3.414 -1.516 87 H ASP 12 H ASP 12 -5.901 5.039 1.846 88 HA ASP 12 HA ASP 12 -8.296 6.463 1.081 89 1HB ASP 12 2HB ASP 12 -8.167 6.087 3.586 90 2HB ASP 12 1HB ASP 12 -6.728 7.112 3.597 91 H SER 13 H SER 13 -7.947 8.754 0.414 92 HA SER 13 HA SER 13 -5.287 8.994 -0.854 93 1HB SER 13 2HB SER 13 -7.887 10.470 -1.297 94 2HB SER 13 1HB SER 13 -6.417 10.590 -2.276 95 HG SER 13 HG SER 13 -6.751 8.165 -2.339 96 H GLY 14 H GLY 14 -7.025 10.313 1.727 97 1HA GLY 14 2HA GLY 14 -5.884 11.435 3.372 98 2HA GLY 14 1HA GLY 14 -4.604 11.786 2.221 99 H SER 15 H SER 15 -5.124 13.794 3.626 100 HA SER 15 HA SER 15 -7.232 15.301 2.289 101 1HB SER 15 2HB SER 15 -6.329 15.522 5.149 102 2HB SER 15 1HB SER 15 -7.649 16.408 4.385 103 HG SER 15 HG SER 15 -8.281 13.982 3.879 104 H GLY 16 H GLY 16 -4.179 15.060 1.766 105 1HA GLY 16 2HA GLY 16 -3.106 17.347 3.084 106 2HA GLY 16 1HA GLY 16 -2.263 16.151 2.129 107 H THR 17 H THR 17 -1.629 18.547 1.965 108 HA THR 17 HA THR 17 -2.703 19.741 -0.560 109 HB THR 17 HB THR 17 -2.480 21.196 1.484 110 HG1 THR 17 1HG THR 17 -1.845 21.693 -0.994 111 1HG2 THR 17 1HG2 THR 17 0.479 20.751 1.030 112 2HG2 THR 17 2HG2 THR 17 -0.444 20.217 2.437 113 3HG2 THR 17 3HG2 THR 17 -0.214 21.937 2.138 114 H LYS 18 H LYS 18 -0.284 17.522 0.141 115 HA LYS 18 HA LYS 18 1.830 18.558 -1.688 116 1HB LYS 18 2HB LYS 18 2.164 18.115 0.840 117 2HB LYS 18 1HB LYS 18 1.694 16.470 0.477 118 1HG LYS 18 2HG LYS 18 4.030 16.473 0.556 119 2HG LYS 18 1HG LYS 18 3.636 16.432 -1.163 120 1HD LYS 18 2HD LYS 18 5.451 18.017 -0.698 121 2HD LYS 18 1HD LYS 18 4.018 18.851 -1.303 122 1HE LYS 18 2HE LYS 18 5.072 20.043 0.602 123 2HE LYS 18 1HE LYS 18 3.418 19.546 0.946 124 1HZ LYS 18 1HZ LYS 18 4.264 17.691 2.239 125 2HZ LYS 18 2HZ LYS 18 4.943 19.087 2.836 126 3HZ LYS 18 3HZ LYS 18 5.837 18.058 1.822 127 H ALA 19 H ALA 19 2.699 17.002 -2.975 128 HA ALA 19 HA ALA 19 0.966 14.676 -3.628 129 1HB ALA 19 1HB ALA 19 1.053 16.391 -5.439 130 2HB ALA 19 2HB ALA 19 1.801 14.865 -5.909 131 3HB ALA 19 3HB ALA 19 2.809 16.240 -5.451 132 H GLU 20 H GLU 20 1.792 12.801 -3.117 133 HA GLU 20 HA GLU 20 4.633 12.535 -3.316 134 1HB GLU 20 2HB GLU 20 4.160 13.213 -1.033 135 2HB GLU 20 1HB GLU 20 3.057 11.863 -0.839 136 1HG GLU 20 2HG GLU 20 4.884 10.302 -1.043 137 2HG GLU 20 1HG GLU 20 6.010 11.632 -1.337 138 H LYS 21 H LYS 21 5.218 10.461 -3.867 139 HA LYS 21 HA LYS 21 3.116 8.636 -4.916 140 1HB LYS 21 2HB LYS 21 4.932 9.566 -6.388 141 2HB LYS 21 1HB LYS 21 6.115 8.887 -5.299 142 1HG LYS 21 2HG LYS 21 4.142 7.226 -6.876 143 2HG LYS 21 1HG LYS 21 5.735 7.668 -7.475 144 1HD LYS 21 2HD LYS 21 6.683 6.530 -5.417 145 2HD LYS 21 1HD LYS 21 5.055 5.919 -5.115 146 1HE LYS 21 2HE LYS 21 6.259 4.223 -6.275 147 2HE LYS 21 1HE LYS 21 5.109 4.914 -7.416 148 1HZ LYS 21 1HZ LYS 21 8.004 5.485 -7.234 149 2HZ LYS 21 2HZ LYS 21 6.965 6.314 -8.283 150 3HZ LYS 21 3HZ LYS 21 7.225 4.664 -8.485 151 H ARG 22 H ARG 22 2.345 7.202 -3.387 152 HA ARG 22 HA ARG 22 4.445 5.809 -2.023 153 1HB ARG 22 2HB ARG 22 1.624 6.519 -1.382 154 2HB ARG 22 1HB ARG 22 2.597 5.396 -0.456 155 1HG ARG 22 2HG ARG 22 3.331 8.264 -0.933 156 2HG ARG 22 1HG ARG 22 2.435 7.686 0.473 157 1HD ARG 22 2HD ARG 22 4.349 6.092 0.859 158 2HD ARG 22 1HD ARG 22 5.241 7.022 -0.349 159 HE ARG 22 HE ARG 22 4.751 8.997 1.138 160 1HH1 ARG 22 1HH1 ARG 22 4.968 5.751 2.449 161 2HH1 ARG 22 2HH1 ARG 22 5.538 6.241 3.978 162 1HH2 ARG 22 1HH2 ARG 22 5.390 9.702 3.123 163 2HH2 ARG 22 2HH2 ARG 22 5.814 8.645 4.403 164 H ILE 23 H ILE 23 3.369 3.458 -1.337 165 HA ILE 23 HA ILE 23 1.599 2.639 -3.531 166 HB ILE 23 HB ILE 23 3.963 2.049 -4.195 167 1HG1 ILE 23 2HG1 ILE 23 2.382 -0.447 -3.574 168 2HG1 ILE 23 1HG1 ILE 23 2.036 0.631 -4.921 169 1HG2 ILE 23 1HG2 ILE 23 5.161 0.287 -3.041 170 2HG2 ILE 23 2HG2 ILE 23 3.892 0.184 -1.848 171 3HG2 ILE 23 3HG2 ILE 23 4.897 1.651 -1.935 172 1HD1 ILE 23 1HD1 ILE 23 4.247 0.181 -5.852 173 2HD1 ILE 23 2HD1 ILE 23 3.321 -1.306 -5.633 174 3HD1 ILE 23 3HD1 ILE 23 4.604 -0.890 -4.497 175 H TYR 24 H TYR 24 0.138 0.922 -2.966 176 HA TYR 24 HA TYR 24 0.415 -0.056 -0.210 177 1HB TYR 24 2HB TYR 24 -1.939 0.276 0.276 178 2HB TYR 24 1HB TYR 24 -1.263 1.816 -0.206 179 HD1 TYR 24 1HD TYR 24 -3.517 -0.920 -1.157 180 HD2 TYR 24 2HD TYR 24 -2.135 2.945 -2.187 181 HE1 TYR 24 1HE TYR 24 -5.406 -0.681 -2.693 182 HE2 TYR 24 2HE TYR 24 -4.037 3.189 -3.748 183 HH TYR 24 HH TYR 24 -5.599 1.907 -4.957 184 H TYR 25 H TYR 25 -1.162 -2.092 0.126 185 HA TYR 25 HA TYR 25 -0.824 -3.701 -2.060 186 1HB TYR 25 2HB TYR 25 -0.504 -4.527 0.092 187 2HB TYR 25 1HB TYR 25 -2.099 -4.008 0.624 188 HD1 TYR 25 1HD TYR 25 -0.439 -6.352 -1.781 189 HD2 TYR 25 2HD TYR 25 -3.863 -5.510 0.586 190 HE1 TYR 25 1HE TYR 25 -1.339 -8.593 -2.271 191 HE2 TYR 25 2HE TYR 25 -4.764 -7.729 0.103 192 HH TYR 25 HH TYR 25 -2.897 -10.177 -1.207 193 H ASN 26 H ASN 26 -2.499 -3.488 -3.767 194 HA ASN 26 HA ASN 26 -5.247 -2.883 -2.989 195 1HB ASN 26 2HB ASN 26 -4.284 -2.234 -5.256 196 2HB ASN 26 1HB ASN 26 -4.270 -3.957 -5.638 197 1HD2 ASN 26 1HD2 ASN 26 -6.249 -1.165 -5.091 198 2HD2 ASN 26 2HD2 ASN 26 -7.735 -1.853 -5.594 199 H SER 27 H SER 27 -6.590 -4.098 -2.405 200 HA SER 27 HA SER 27 -5.747 -6.651 -1.783 201 1HB SER 27 2HB SER 27 -8.456 -5.471 -1.179 202 2HB SER 27 1HB SER 27 -7.943 -7.042 -0.576 203 HG SER 27 HG SER 27 -6.133 -4.994 -0.122 204 H ALA 28 H ALA 28 -8.132 -5.519 -4.045 205 HA ALA 28 HA ALA 28 -9.405 -8.018 -4.599 206 1HB ALA 28 1HB ALA 28 -9.362 -5.438 -6.152 207 2HB ALA 28 2HB ALA 28 -10.552 -5.910 -4.941 208 3HB ALA 28 3HB ALA 28 -10.442 -6.797 -6.458 209 H ARG 29 H ARG 29 -6.973 -6.016 -6.010 210 HA ARG 29 HA ARG 29 -6.509 -7.868 -8.193 211 1HB ARG 29 2HB ARG 29 -5.159 -5.226 -7.608 212 2HB ARG 29 1HB ARG 29 -4.536 -6.308 -8.842 213 1HG ARG 29 2HG ARG 29 -5.903 -4.681 -9.933 214 2HG ARG 29 1HG ARG 29 -6.770 -6.210 -9.965 215 1HD ARG 29 2HD ARG 29 -8.019 -5.404 -7.922 216 2HD ARG 29 1HD ARG 29 -7.283 -3.829 -8.189 217 HE ARG 29 HE ARG 29 -8.670 -4.914 -10.463 218 1HH1 ARG 29 1HH1 ARG 29 -8.921 -2.770 -7.645 219 2HH1 ARG 29 2HH1 ARG 29 -10.411 -2.094 -8.122 220 1HH2 ARG 29 1HH2 ARG 29 -10.685 -3.998 -11.083 221 2HH2 ARG 29 2HH2 ARG 29 -11.457 -2.806 -10.153 222 H LYS 30 H LYS 30 -5.595 -7.719 -5.129 223 HA LYS 30 HA LYS 30 -3.939 -8.516 -3.734 224 1HB LYS 30 2HB LYS 30 -5.110 -10.560 -4.563 225 2HB LYS 30 1HB LYS 30 -3.938 -10.697 -5.858 226 1HG LYS 30 2HG LYS 30 -2.191 -11.229 -4.284 227 2HG LYS 30 1HG LYS 30 -3.267 -10.904 -2.922 228 1HD LYS 30 2HD LYS 30 -4.717 -12.746 -3.662 229 2HD LYS 30 1HD LYS 30 -3.594 -13.080 -4.981 230 1HE LYS 30 2HE LYS 30 -1.836 -13.594 -3.383 231 2HE LYS 30 1HE LYS 30 -2.909 -13.190 -2.045 232 1HZ LYS 30 1HZ LYS 30 -2.760 -15.602 -2.437 233 2HZ LYS 30 2HZ LYS 30 -3.422 -15.382 -3.993 234 3HZ LYS 30 3HZ LYS 30 -4.326 -15.006 -2.626 235 H GLN 31 H GLN 31 -3.118 -6.879 -5.320 236 HA GLN 31 HA GLN 31 -0.060 -7.058 -5.644 237 1HB GLN 31 2HB GLN 31 0.035 -6.358 -7.875 238 2HB GLN 31 1HB GLN 31 -1.089 -7.704 -7.837 239 1HG GLN 31 2HG GLN 31 -2.949 -6.048 -7.857 240 2HG GLN 31 1HG GLN 31 -1.740 -4.784 -8.078 241 1HE2 GLN 31 1HE2 GLN 31 -0.519 -4.772 -10.024 242 2HE2 GLN 31 2HE2 GLN 31 -1.146 -5.556 -11.437 243 H CYS 32 H CYS 32 1.310 -5.243 -5.445 244 HA CYS 32 HA CYS 32 0.127 -3.315 -3.891 245 1HB CYS 32 2HB CYS 32 2.780 -3.678 -5.227 246 2HB CYS 32 1HB CYS 32 2.387 -2.414 -4.086 247 H LEU 33 H LEU 33 -0.383 -1.225 -4.665 248 HA LEU 33 HA LEU 33 0.656 -0.294 -7.204 249 1HB LEU 33 2HB LEU 33 -1.539 0.323 -8.100 250 2HB LEU 33 1HB LEU 33 -1.321 -1.403 -8.040 251 HG LEU 33 HG LEU 33 -2.809 -1.385 -5.981 252 1HD1 LEU 33 1HD1 LEU 33 -4.276 0.523 -5.687 253 2HD1 LEU 33 2HD1 LEU 33 -3.411 1.411 -6.936 254 3HD1 LEU 33 3HD1 LEU 33 -2.607 0.990 -5.427 255 1HD2 LEU 33 1HD2 LEU 33 -3.572 -2.112 -8.154 256 2HD2 LEU 33 2HD2 LEU 33 -3.913 -0.444 -8.613 257 3HD2 LEU 33 3HD2 LEU 33 -4.840 -1.211 -7.323 258 H ARG 34 H ARG 34 0.696 1.616 -7.585 259 HA ARG 34 HA ARG 34 1.278 3.210 -5.289 260 1HB ARG 34 2HB ARG 34 2.671 3.081 -7.313 261 2HB ARG 34 1HB ARG 34 1.372 3.758 -8.257 262 1HG ARG 34 2HG ARG 34 2.623 5.288 -5.985 263 2HG ARG 34 1HG ARG 34 3.343 5.253 -7.587 264 1HD ARG 34 2HD ARG 34 0.583 6.231 -6.889 265 2HD ARG 34 1HD ARG 34 1.968 7.237 -7.266 266 HE ARG 34 HE ARG 34 1.962 6.016 -9.486 267 1HH1 ARG 34 1HH1 ARG 34 -0.953 6.647 -7.648 268 2HH1 ARG 34 2HH1 ARG 34 -2.026 6.671 -8.956 269 1HH2 ARG 34 1HH2 ARG 34 0.555 6.123 -11.365 270 2HH2 ARG 34 2HH2 ARG 34 -1.136 6.320 -11.171 271 H PHE 35 H PHE 35 0.352 4.965 -4.702 272 HA PHE 35 HA PHE 35 -2.025 5.379 -5.948 273 1HB PHE 35 2HB PHE 35 -3.364 5.994 -3.817 274 2HB PHE 35 1HB PHE 35 -2.749 4.373 -4.022 275 HD1 PHE 35 1HD PHE 35 -0.379 3.965 -2.788 276 HD2 PHE 35 2HD PHE 35 -3.196 6.986 -1.782 277 HE1 PHE 35 1HE PHE 35 0.499 4.022 -0.496 278 HE2 PHE 35 2HE PHE 35 -2.310 7.058 0.501 279 HZ PHE 35 HZ PHE 35 -0.461 5.570 1.152 280 H ASP 36 H ASP 36 -2.847 8.143 -5.119 281 HA ASP 36 HA ASP 36 -0.352 9.439 -4.888 282 1HB ASP 36 2HB ASP 36 -2.873 10.148 -6.230 283 2HB ASP 36 1HB ASP 36 -2.103 11.484 -5.379 284 H TYR 37 H TYR 37 -0.027 9.224 -2.832 285 HA TYR 37 HA TYR 37 -1.886 9.965 -0.756 286 1HB TYR 37 2HB TYR 37 -0.161 8.185 -0.614 287 2HB TYR 37 1HB TYR 37 1.082 9.374 -0.855 288 HD1 TYR 37 1HD TYR 37 -1.813 8.822 1.495 289 HD2 TYR 37 2HD TYR 37 2.247 10.008 1.051 290 HE1 TYR 37 1HE TYR 37 -1.616 9.045 3.940 291 HE2 TYR 37 2HE TYR 37 2.449 10.245 3.483 292 HH TYR 37 HH TYR 37 1.154 10.511 5.432 293 H THR 38 H THR 38 -2.077 12.115 0.117 294 HA THR 38 HA THR 38 -0.625 13.954 -1.439 295 HB THR 38 HB THR 38 -2.475 15.467 -0.493 296 HG1 THR 38 1HG THR 38 -3.955 13.163 -0.012 297 1HG2 THR 38 1HG2 THR 38 -2.534 14.506 -2.760 298 2HG2 THR 38 2HG2 THR 38 -4.144 14.514 -2.039 299 3HG2 THR 38 3HG2 THR 38 -3.211 13.016 -2.109 300 H GLY 39 H GLY 39 0.701 12.734 0.692 301 1HA GLY 39 2HA GLY 39 2.086 13.148 2.429 302 2HA GLY 39 1HA GLY 39 1.818 14.828 2.059 303 H GLN 40 H GLN 40 -1.274 14.347 3.068 304 HA GLN 40 HA GLN 40 -0.396 14.146 5.756 305 1HB GLN 40 2HB GLN 40 -0.398 16.515 5.254 306 2HB GLN 40 1HB GLN 40 -2.052 16.419 4.662 307 1HG GLN 40 2HG GLN 40 -2.820 15.826 6.892 308 2HG GLN 40 1HG GLN 40 -1.165 15.903 7.488 309 1HE2 GLN 40 1HE2 GLN 40 -3.559 17.355 8.195 310 2HE2 GLN 40 2HE2 GLN 40 -3.197 19.039 8.061 311 H GLY 41 H GLY 41 -2.094 12.922 6.985 312 1HA GLY 41 2HA GLY 41 -4.324 12.653 7.522 313 2HA GLY 41 1HA GLY 41 -4.755 13.521 6.068 314 H GLY 42 H GLY 42 -2.883 10.478 6.419 315 1HA GLY 42 2HA GLY 42 -4.727 9.485 4.367 316 2HA GLY 42 1HA GLY 42 -3.048 9.012 4.533 317 H ASN 43 H ASN 43 -3.453 6.899 4.518 318 HA ASN 43 HA ASN 43 -5.015 5.547 6.605 319 1HB ASN 43 2HB ASN 43 -5.270 3.877 4.873 320 2HB ASN 43 1HB ASN 43 -5.906 5.379 4.226 321 1HD2 ASN 43 1HD2 ASN 43 -4.890 3.022 2.836 322 2HD2 ASN 43 2HD2 ASN 43 -3.536 3.557 1.876 323 H GLU 44 H GLU 44 -4.021 3.655 7.248 324 HA GLU 44 HA GLU 44 -1.262 3.996 7.760 325 1HB GLU 44 2HB GLU 44 -3.191 1.781 8.379 326 2HB GLU 44 1HB GLU 44 -1.586 1.995 9.074 327 1HG GLU 44 2HG GLU 44 -3.918 3.866 9.385 328 2HG GLU 44 1HG GLU 44 -3.274 2.771 10.608 329 H ASN 45 H ASN 45 -3.112 2.272 5.389 330 HA ASN 45 HA ASN 45 -0.975 0.435 4.622 331 1HB ASN 45 2HB ASN 45 -3.421 -0.172 4.369 332 2HB ASN 45 1HB ASN 45 -3.626 1.206 3.312 333 1HD2 ASN 45 1HD2 ASN 45 -4.518 -0.357 1.887 334 2HD2 ASN 45 2HD2 ASN 45 -3.504 -1.324 0.879 335 H ASN 46 H ASN 46 0.593 1.837 4.506 336 HA ASN 46 HA ASN 46 0.712 3.463 2.110 337 1HB ASN 46 2HB ASN 46 -0.024 4.963 3.881 338 2HB ASN 46 1HB ASN 46 1.268 4.396 4.932 339 1HD2 ASN 46 1HD2 ASN 46 2.044 6.471 5.182 340 2HD2 ASN 46 2HD2 ASN 46 2.890 7.305 3.924 341 H PHE 47 H PHE 47 2.505 2.699 1.086 342 HA PHE 47 HA PHE 47 4.788 2.106 2.781 343 1HB PHE 47 2HB PHE 47 4.023 0.679 0.216 344 2HB PHE 47 1HB PHE 47 5.457 0.333 1.184 345 HD1 PHE 47 1HD PHE 47 2.049 -0.467 0.636 346 HD2 PHE 47 2HD PHE 47 5.034 -0.295 3.659 347 HE1 PHE 47 1HE PHE 47 0.707 -1.968 2.039 348 HE2 PHE 47 2HE PHE 47 3.699 -1.801 5.062 349 HZ PHE 47 HZ PHE 47 1.529 -2.637 4.253 350 H ARG 48 H ARG 48 6.807 2.774 1.860 351 HA ARG 48 HA ARG 48 6.635 4.881 -0.236 352 1HB ARG 48 2HB ARG 48 7.659 5.408 1.998 353 2HB ARG 48 1HB ARG 48 8.883 4.195 1.662 354 1HG ARG 48 2HG ARG 48 9.981 6.114 1.018 355 2HG ARG 48 1HG ARG 48 9.272 5.610 -0.513 356 1HD ARG 48 2HD ARG 48 8.867 7.975 -0.308 357 2HD ARG 48 1HD ARG 48 7.336 7.195 0.011 358 HE ARG 48 HE ARG 48 8.116 7.339 2.454 359 1HH1 ARG 48 1HH1 ARG 48 8.643 9.853 -0.014 360 2HH1 ARG 48 2HH1 ARG 48 8.766 11.103 1.150 361 1HH2 ARG 48 1HH2 ARG 48 8.311 9.030 3.966 362 2HH2 ARG 48 2HH2 ARG 48 8.648 10.626 3.478 363 H ARG 49 H ARG 49 7.504 1.508 0.124 364 HA ARG 49 HA ARG 49 9.117 1.787 -2.213 365 1HB ARG 49 2HB ARG 49 10.549 1.872 -0.210 366 2HB ARG 49 1HB ARG 49 9.872 0.358 0.342 367 1HG ARG 49 2HG ARG 49 10.834 -0.737 -1.657 368 2HG ARG 49 1HG ARG 49 11.609 0.797 -2.067 369 1HD ARG 49 2HD ARG 49 12.015 -0.795 0.461 370 2HD ARG 49 1HD ARG 49 13.153 -0.653 -0.875 371 HE ARG 49 HE ARG 49 13.357 1.727 -0.297 372 1HH1 ARG 49 1HH1 ARG 49 11.727 -0.230 2.171 373 2HH1 ARG 49 2HH1 ARG 49 12.497 0.489 3.494 374 1HH2 ARG 49 1HH2 ARG 49 14.400 2.815 1.585 375 2HH2 ARG 49 2HH2 ARG 49 14.015 2.229 3.150 376 H THR 50 H THR 50 9.111 -0.229 -3.388 377 HA THR 50 HA THR 50 6.650 -1.624 -3.271 378 HB THR 50 HB THR 50 9.028 -2.197 -5.058 379 HG1 THR 50 1HG THR 50 8.452 0.000 -5.167 380 1HG2 THR 50 1HG2 THR 50 6.047 -2.605 -5.449 381 2HG2 THR 50 2HG2 THR 50 7.228 -3.883 -5.143 382 3HG2 THR 50 3HG2 THR 50 7.303 -2.950 -6.640 383 H TYR 51 H TYR 51 9.971 -2.533 -2.461 384 HA TYR 51 HA TYR 51 9.519 -5.271 -2.078 385 1HB TYR 51 2HB TYR 51 11.780 -4.403 -2.138 386 2HB TYR 51 1HB TYR 51 11.484 -3.401 -0.725 387 HD1 TYR 51 1HD TYR 51 11.499 -6.967 -1.783 388 HD2 TYR 51 2HD TYR 51 12.224 -4.167 1.324 389 HE1 TYR 51 1HE TYR 51 12.397 -8.762 -0.385 390 HE2 TYR 51 2HE TYR 51 13.126 -5.963 2.736 391 HH TYR 51 HH TYR 51 13.867 -9.061 1.487 392 H ASP 52 H ASP 52 9.287 -2.498 0.020 393 HA ASP 52 HA ASP 52 8.616 -3.849 2.411 394 1HB ASP 52 2HB ASP 52 7.880 -1.083 1.491 395 2HB ASP 52 1HB ASP 52 7.473 -1.700 3.088 396 H CYS 53 H CYS 53 6.409 -2.584 -0.048 397 HA CYS 53 HA CYS 53 4.090 -3.475 1.309 398 1HB CYS 53 2HB CYS 53 2.862 -3.112 -0.648 399 2HB CYS 53 1HB CYS 53 4.128 -1.904 -0.643 400 H GLN 54 H GLN 54 5.828 -4.780 -1.111 401 HA GLN 54 HA GLN 54 4.741 -7.316 -1.591 402 1HB GLN 54 2HB GLN 54 6.342 -6.507 -3.182 403 2HB GLN 54 1HB GLN 54 7.664 -6.722 -2.038 404 1HG GLN 54 2HG GLN 54 7.428 -9.100 -2.139 405 2HG GLN 54 1HG GLN 54 5.969 -8.955 -3.113 406 1HE2 GLN 54 1HE2 GLN 54 8.806 -6.939 -3.672 407 2HE2 GLN 54 2HE2 GLN 54 9.226 -7.698 -5.161 408 H ARG 55 H ARG 55 7.354 -6.704 0.504 409 HA ARG 55 HA ARG 55 7.653 -9.366 1.637 410 1HB ARG 55 2HB ARG 55 9.430 -7.630 1.797 411 2HB ARG 55 1HB ARG 55 8.348 -6.630 2.747 412 1HG ARG 55 2HG ARG 55 8.367 -8.343 4.511 413 2HG ARG 55 1HG ARG 55 9.525 -9.272 3.549 414 1HD ARG 55 2HD ARG 55 11.082 -7.406 3.591 415 2HD ARG 55 1HD ARG 55 9.938 -6.449 4.512 416 HE ARG 55 HE ARG 55 10.666 -8.964 5.720 417 1HH1 ARG 55 1HH1 ARG 55 11.252 -5.477 5.605 418 2HH1 ARG 55 2HH1 ARG 55 12.170 -5.434 7.040 419 1HH2 ARG 55 1HH2 ARG 55 11.986 -8.916 7.700 420 2HH2 ARG 55 2HH2 ARG 55 12.605 -7.415 8.218 421 H THR 56 H THR 56 5.740 -6.414 2.794 422 HA THR 56 HA THR 56 4.944 -8.082 4.817 423 HB THR 56 HB THR 56 5.133 -5.710 5.243 424 HG1 THR 56 1HG THR 56 2.367 -6.215 5.539 425 1HG2 THR 56 1HG2 THR 56 2.730 -5.380 3.450 426 2HG2 THR 56 2HG2 THR 56 4.369 -4.830 3.102 427 3HG2 THR 56 3HG2 THR 56 3.462 -4.115 4.432 428 H CYS 57 H CYS 57 3.151 -7.144 1.821 429 HA CYS 57 HA CYS 57 0.746 -8.503 2.774 430 1HB CYS 57 2HB CYS 57 1.066 -6.518 0.520 431 2HB CYS 57 1HB CYS 57 -0.414 -7.281 1.051 432 H LEU 58 H LEU 58 2.999 -9.855 1.188 433 HA LEU 58 HA LEU 58 1.543 -10.376 -1.218 434 1HB LEU 58 2HB LEU 58 2.949 -8.399 -1.957 435 2HB LEU 58 1HB LEU 58 4.374 -9.322 -1.587 436 HG LEU 58 HG LEU 58 3.917 -9.088 -3.994 437 1HD1 LEU 58 1HD1 LEU 58 3.827 -11.934 -3.049 438 2HD1 LEU 58 2HD1 LEU 58 5.266 -10.948 -3.304 439 3HD1 LEU 58 3HD1 LEU 58 4.256 -11.400 -4.675 440 1HD2 LEU 58 1HD2 LEU 58 2.098 -10.365 -5.033 441 2HD2 LEU 58 2HD2 LEU 58 1.512 -9.080 -3.977 442 3HD2 LEU 58 3HD2 LEU 58 1.483 -10.759 -3.427 443 H TYR 59 H TYR 59 4.346 -10.896 0.705 444 HA TYR 59 HA TYR 59 4.275 -13.716 0.000 445 1HB TYR 59 2HB TYR 59 6.202 -12.162 1.741 446 2HB TYR 59 1HB TYR 59 6.293 -13.894 1.449 447 HD1 TYR 59 1HD TYR 59 7.717 -10.906 0.576 448 HD2 TYR 59 2HD TYR 59 6.125 -14.407 -1.244 449 HE1 TYR 59 1HE TYR 59 9.091 -10.490 -1.424 450 HE2 TYR 59 2HE TYR 59 7.492 -13.998 -3.247 451 HH TYR 59 HH TYR 59 10.035 -11.813 -3.246 452 H THR 60 H THR 60 2.409 -14.544 0.971 453 HA THR 60 HA THR 60 2.370 -14.151 3.783 454 HB THR 60 HB THR 60 0.493 -12.905 2.935 455 HG1 THR 60 1HG THR 60 0.163 -14.781 4.612 456 1HG2 THR 60 1HG2 THR 60 -1.260 -13.857 1.473 457 2HG2 THR 60 2HG2 THR 60 -0.313 -15.337 1.325 458 3HG2 THR 60 3HG2 THR 60 0.314 -13.823 0.675 Start of MODEL 18 1 1H LYS 1 1HT LYS 1 -3.450 -16.275 10.471 2 2H LYS 1 2HT LYS 1 -3.871 -17.189 9.117 3 3H LYS 1 3HT LYS 1 -5.071 -16.436 10.011 4 HA LYS 1 HA LYS 1 -4.296 -14.278 9.397 5 1HB LYS 1 2HB LYS 1 -2.097 -15.816 8.117 6 2HB LYS 1 1HB LYS 1 -2.623 -14.284 7.422 7 1HG LYS 1 2HG LYS 1 -1.627 -14.734 10.233 8 2HG LYS 1 1HG LYS 1 -0.784 -13.885 8.928 9 1HD LYS 1 2HD LYS 1 -2.587 -12.222 8.844 10 2HD LYS 1 1HD LYS 1 -3.426 -13.062 10.147 11 1HE LYS 1 2HE LYS 1 -1.452 -12.627 11.600 12 2HE LYS 1 1HE LYS 1 -0.758 -11.669 10.291 13 1HZ LYS 1 1HZ LYS 1 -2.747 -10.227 10.405 14 2HZ LYS 1 2HZ LYS 1 -1.887 -10.222 11.845 15 3HZ LYS 1 3HZ LYS 1 -3.315 -11.113 11.709 16 H ASP 2 H ASP 2 -5.891 -13.661 8.514 17 HA ASP 2 HA ASP 2 -6.658 -14.562 5.818 18 1HB ASP 2 2HB ASP 2 -8.291 -15.381 7.455 19 2HB ASP 2 1HB ASP 2 -8.454 -13.760 8.119 20 H ARG 3 H ARG 3 -5.840 -12.829 4.734 21 HA ARG 3 HA ARG 3 -5.402 -10.802 3.987 22 1HB ARG 3 2HB ARG 3 -7.571 -9.870 5.886 23 2HB ARG 3 1HB ARG 3 -6.617 -8.731 4.954 24 1HG ARG 3 2HG ARG 3 -8.530 -8.975 3.697 25 2HG ARG 3 1HG ARG 3 -7.402 -10.079 2.917 26 1HD ARG 3 2HD ARG 3 -9.552 -11.130 3.092 27 2HD ARG 3 1HD ARG 3 -8.432 -11.936 4.190 28 HE ARG 3 HE ARG 3 -9.717 -11.332 5.915 29 1HH1 ARG 3 1HH1 ARG 3 -10.724 -9.338 3.124 30 2HH1 ARG 3 2HH1 ARG 3 -11.909 -8.471 3.966 31 1HH2 ARG 3 1HH2 ARG 3 -11.379 -10.131 7.084 32 2HH2 ARG 3 2HH2 ARG 3 -12.314 -8.964 6.265 33 HA PRO 4 HA PRO 4 -1.891 -9.952 6.262 34 1HB PRO 4 2HB PRO 4 -2.056 -7.282 4.896 35 2HB PRO 4 1HB PRO 4 -0.668 -8.375 5.044 36 1HG PRO 4 2HG PRO 4 -2.031 -8.256 2.794 37 2HG PRO 4 1HG PRO 4 -1.521 -9.837 3.437 38 1HD PRO 4 2HD PRO 4 -4.223 -8.554 3.489 39 2HD PRO 4 1HD PRO 4 -3.789 -10.254 3.236 40 H SER 5 H SER 5 -1.249 -9.069 8.078 41 HA SER 5 HA SER 5 -2.642 -7.844 9.843 42 1HB SER 5 2HB SER 5 0.260 -7.189 9.430 43 2HB SER 5 1HB SER 5 -0.609 -7.100 10.966 44 HG SER 5 HG SER 5 0.378 -9.033 10.904 45 H LEU 6 H LEU 6 -0.472 -6.201 7.587 46 HA LEU 6 HA LEU 6 -1.874 -3.764 8.254 47 1HB LEU 6 2HB LEU 6 0.141 -2.459 7.463 48 2HB LEU 6 1HB LEU 6 0.243 -3.318 8.976 49 HG LEU 6 HG LEU 6 1.537 -5.105 7.737 50 1HD1 LEU 6 1HD1 LEU 6 0.869 -4.554 5.487 51 2HD1 LEU 6 2HD1 LEU 6 2.622 -4.417 5.667 52 3HD1 LEU 6 3HD1 LEU 6 1.619 -2.965 5.637 53 1HD2 LEU 6 1HD2 LEU 6 2.581 -3.484 9.206 54 2HD2 LEU 6 2HD2 LEU 6 2.680 -2.325 7.880 55 3HD2 LEU 6 3HD2 LEU 6 3.612 -3.823 7.818 56 H CYS 7 H CYS 7 -1.819 -5.863 5.913 57 HA CYS 7 HA CYS 7 -2.793 -3.752 4.204 58 1HB CYS 7 2HB CYS 7 -1.299 -6.147 3.127 59 2HB CYS 7 1HB CYS 7 -2.326 -5.161 2.088 60 H ASP 8 H ASP 8 -4.196 -5.060 6.021 61 HA ASP 8 HA ASP 8 -6.637 -5.539 4.428 62 1HB ASP 8 2HB ASP 8 -6.144 -6.996 6.457 63 2HB ASP 8 1HB ASP 8 -6.174 -5.550 7.451 64 H LEU 9 H LEU 9 -5.186 -3.136 4.266 65 HA LEU 9 HA LEU 9 -5.421 -1.267 6.326 66 1HB LEU 9 2HB LEU 9 -4.050 0.023 4.922 67 2HB LEU 9 1HB LEU 9 -3.487 -1.625 4.758 68 HG LEU 9 HG LEU 9 -5.367 -0.402 2.717 69 1HD1 LEU 9 1HD1 LEU 9 -3.453 1.043 2.824 70 2HD1 LEU 9 2HD1 LEU 9 -3.446 0.106 1.331 71 3HD1 LEU 9 3HD1 LEU 9 -2.376 -0.340 2.661 72 1HD2 LEU 9 1HD2 LEU 9 -4.421 -2.066 1.208 73 2HD2 LEU 9 2HD2 LEU 9 -5.106 -2.839 2.637 74 3HD2 LEU 9 3HD2 LEU 9 -3.361 -2.640 2.491 75 HA PRO 10 HA PRO 10 -8.661 0.831 4.215 76 1HB PRO 10 2HB PRO 10 -7.639 3.354 5.310 77 2HB PRO 10 1HB PRO 10 -9.178 2.552 5.634 78 1HG PRO 10 2HG PRO 10 -7.178 2.714 7.466 79 2HG PRO 10 1HG PRO 10 -8.342 1.376 7.412 80 1HD PRO 10 2HD PRO 10 -5.536 1.491 6.397 81 2HD PRO 10 1HD PRO 10 -6.392 0.163 7.214 82 H ALA 11 H ALA 11 -8.167 0.808 2.132 83 HA ALA 11 HA ALA 11 -5.722 2.155 0.906 84 1HB ALA 11 1HB ALA 11 -8.317 0.989 -0.280 85 2HB ALA 11 2HB ALA 11 -6.743 0.192 -0.366 86 3HB ALA 11 3HB ALA 11 -7.015 1.698 -1.237 87 H ASP 12 H ASP 12 -5.700 3.908 1.721 88 HA ASP 12 HA ASP 12 -7.870 5.789 1.138 89 1HB ASP 12 2HB ASP 12 -8.056 5.296 3.537 90 2HB ASP 12 1HB ASP 12 -6.357 5.699 3.753 91 H SER 13 H SER 13 -7.582 7.706 0.410 92 HA SER 13 HA SER 13 -4.895 8.093 -0.769 93 1HB SER 13 2HB SER 13 -6.082 9.601 -2.261 94 2HB SER 13 1HB SER 13 -6.805 7.991 -2.295 95 HG SER 13 HG SER 13 -7.762 10.383 -1.404 96 H GLY 14 H GLY 14 -6.798 9.471 1.708 97 1HA GLY 14 2HA GLY 14 -5.796 10.853 3.301 98 2HA GLY 14 1HA GLY 14 -4.539 11.234 2.141 99 H SER 15 H SER 15 -5.401 13.269 3.529 100 HA SER 15 HA SER 15 -7.590 14.619 2.081 101 1HB SER 15 2HB SER 15 -6.825 14.841 4.994 102 2HB SER 15 1HB SER 15 -8.144 15.679 4.185 103 HG SER 15 HG SER 15 -8.646 13.274 3.593 104 H GLY 16 H GLY 16 -4.545 14.635 1.710 105 1HA GLY 16 2HA GLY 16 -3.637 16.989 3.079 106 2HA GLY 16 1HA GLY 16 -2.688 15.877 2.123 107 H THR 17 H THR 17 -2.107 18.175 1.897 108 HA THR 17 HA THR 17 -3.303 19.550 -0.527 109 HB THR 17 HB THR 17 -2.946 20.877 1.653 110 HG1 THR 17 1HG THR 17 -1.872 22.604 0.477 111 1HG2 THR 17 1HG2 THR 17 -0.657 21.656 2.093 112 2HG2 THR 17 2HG2 THR 17 -0.048 20.578 0.837 113 3HG2 THR 17 3HG2 THR 17 -0.780 19.906 2.296 114 H LYS 18 H LYS 18 -0.792 17.347 0.115 115 HA LYS 18 HA LYS 18 1.211 18.402 -1.775 116 1HB LYS 18 2HB LYS 18 1.809 17.923 0.612 117 2HB LYS 18 1HB LYS 18 1.054 16.356 0.466 118 1HG LYS 18 2HG LYS 18 2.764 15.818 -1.308 119 2HG LYS 18 1HG LYS 18 3.569 17.327 -0.873 120 1HD LYS 18 2HD LYS 18 3.883 16.559 1.394 121 2HD LYS 18 1HD LYS 18 2.947 15.097 1.063 122 1HE LYS 18 2HE LYS 18 4.644 14.449 -0.614 123 2HE LYS 18 1HE LYS 18 5.589 15.868 -0.168 124 1HZ LYS 18 1HZ LYS 18 5.943 14.986 2.011 125 2HZ LYS 18 2HZ LYS 18 6.299 13.747 0.922 126 3HZ LYS 18 3HZ LYS 18 4.856 13.725 1.776 127 H ALA 19 H ALA 19 1.956 16.879 -3.172 128 HA ALA 19 HA ALA 19 0.267 14.483 -3.669 129 1HB ALA 19 1HB ALA 19 0.153 16.119 -5.525 130 2HB ALA 19 2HB ALA 19 0.967 14.632 -6.001 131 3HB ALA 19 3HB ALA 19 1.910 16.079 -5.641 132 H GLU 20 H GLU 20 1.221 12.659 -3.289 133 HA GLU 20 HA GLU 20 4.112 12.620 -3.313 134 1HB GLU 20 2HB GLU 20 3.431 13.186 -1.066 135 2HB GLU 20 1HB GLU 20 2.345 11.805 -1.017 136 1HG GLU 20 2HG GLU 20 4.274 11.305 0.247 137 2HG GLU 20 1HG GLU 20 4.305 10.334 -1.221 138 H LYS 21 H LYS 21 4.860 10.665 -4.094 139 HA LYS 21 HA LYS 21 2.896 8.733 -5.118 140 1HB LYS 21 2HB LYS 21 4.540 9.905 -6.663 141 2HB LYS 21 1HB LYS 21 5.835 9.284 -5.677 142 1HG LYS 21 2HG LYS 21 3.923 7.479 -7.163 143 2HG LYS 21 1HG LYS 21 5.360 8.153 -7.918 144 1HD LYS 21 2HD LYS 21 6.712 7.054 -6.093 145 2HD LYS 21 1HD LYS 21 5.226 6.265 -5.561 146 1HE LYS 21 2HE LYS 21 6.504 4.762 -6.991 147 2HE LYS 21 1HE LYS 21 5.001 5.228 -7.788 148 1HZ LYS 21 1HZ LYS 21 7.669 6.427 -8.323 149 2HZ LYS 21 2HZ LYS 21 6.245 6.836 -9.123 150 3HZ LYS 21 3HZ LYS 21 6.902 5.311 -9.325 151 H ARG 22 H ARG 22 2.327 7.312 -3.569 152 HA ARG 22 HA ARG 22 4.637 6.182 -2.429 153 1HB ARG 22 2HB ARG 22 1.881 6.604 -1.342 154 2HB ARG 22 1HB ARG 22 3.086 5.611 -0.534 155 1HG ARG 22 2HG ARG 22 3.488 8.506 -1.266 156 2HG ARG 22 1HG ARG 22 2.928 7.942 0.309 157 1HD ARG 22 2HD ARG 22 4.984 6.782 0.698 158 2HD ARG 22 1HD ARG 22 5.526 7.079 -0.957 159 HE ARG 22 HE ARG 22 5.661 9.414 -0.403 160 1HH1 ARG 22 1HH1 ARG 22 5.380 7.307 2.453 161 2HH1 ARG 22 2HH1 ARG 22 6.195 8.394 3.481 162 1HH2 ARG 22 1HH2 ARG 22 6.732 10.909 1.026 163 2HH2 ARG 22 2HH2 ARG 22 7.021 10.482 2.629 164 H ILE 23 H ILE 23 3.575 3.652 -1.508 165 HA ILE 23 HA ILE 23 1.743 2.806 -3.597 166 HB ILE 23 HB ILE 23 4.051 2.217 -4.399 167 1HG1 ILE 23 2HG1 ILE 23 2.529 -0.257 -3.586 168 2HG1 ILE 23 1HG1 ILE 23 2.126 0.756 -4.972 169 1HG2 ILE 23 1HG2 ILE 23 4.191 0.518 -1.933 170 2HG2 ILE 23 2HG2 ILE 23 5.210 1.928 -2.285 171 3HG2 ILE 23 3HG2 ILE 23 5.325 0.457 -3.268 172 1HD1 ILE 23 1HD1 ILE 23 3.368 -1.225 -5.650 173 2HD1 ILE 23 2HD1 ILE 23 4.697 -0.765 -4.584 174 3HD1 ILE 23 3HD1 ILE 23 4.290 0.246 -5.975 175 H TYR 24 H TYR 24 0.376 1.064 -2.927 176 HA TYR 24 HA TYR 24 0.910 -0.096 -0.382 177 1HB TYR 24 2HB TYR 24 -1.339 0.313 0.563 178 2HB TYR 24 1HB TYR 24 -0.448 1.792 0.351 179 HD1 TYR 24 1HD TYR 24 -2.540 2.978 0.733 180 HD2 TYR 24 2HD TYR 24 -2.149 0.382 -2.612 181 HE1 TYR 24 1HE TYR 24 -4.541 3.974 -0.261 182 HE2 TYR 24 2HE TYR 24 -4.155 1.386 -3.621 183 HH TYR 24 HH TYR 24 -5.540 4.268 -2.547 184 H TYR 25 H TYR 25 -1.012 -1.885 0.044 185 HA TYR 25 HA TYR 25 -0.671 -3.423 -2.175 186 1HB TYR 25 2HB TYR 25 -0.365 -4.113 0.054 187 2HB TYR 25 1HB TYR 25 -2.048 -3.814 0.431 188 HD1 TYR 25 1HD TYR 25 0.109 -5.844 -1.815 189 HD2 TYR 25 2HD TYR 25 -3.526 -5.600 0.372 190 HE1 TYR 25 1HE TYR 25 -0.312 -8.220 -2.258 191 HE2 TYR 25 2HE TYR 25 -3.962 -7.971 -0.078 192 HH TYR 25 HH TYR 25 -1.557 -10.038 -1.273 193 H ASN 26 H ASN 26 -2.368 -4.035 -3.620 194 HA ASN 26 HA ASN 26 -5.126 -3.188 -3.062 195 1HB ASN 26 2HB ASN 26 -4.168 -2.465 -5.257 196 2HB ASN 26 1HB ASN 26 -3.858 -4.155 -5.643 197 1HD2 ASN 26 1HD2 ASN 26 -6.293 -1.680 -5.313 198 2HD2 ASN 26 2HD2 ASN 26 -7.561 -2.581 -6.041 199 H SER 27 H SER 27 -6.425 -4.510 -2.590 200 HA SER 27 HA SER 27 -5.407 -6.984 -1.863 201 1HB SER 27 2HB SER 27 -8.266 -6.112 -1.429 202 2HB SER 27 1HB SER 27 -7.524 -7.522 -0.670 203 HG SER 27 HG SER 27 -6.485 -6.309 0.643 204 H ALA 28 H ALA 28 -7.771 -6.053 -4.263 205 HA ALA 28 HA ALA 28 -8.858 -8.637 -4.754 206 1HB ALA 28 1HB ALA 28 -9.948 -7.544 -6.658 207 2HB ALA 28 2HB ALA 28 -8.963 -6.108 -6.383 208 3HB ALA 28 3HB ALA 28 -10.131 -6.622 -5.164 209 H ARG 29 H ARG 29 -6.562 -6.556 -6.218 210 HA ARG 29 HA ARG 29 -5.836 -8.427 -8.358 211 1HB ARG 29 2HB ARG 29 -4.627 -5.783 -7.609 212 2HB ARG 29 1HB ARG 29 -3.817 -6.853 -8.726 213 1HG ARG 29 2HG ARG 29 -4.993 -5.131 -9.911 214 2HG ARG 29 1HG ARG 29 -5.746 -6.687 -10.242 215 1HD ARG 29 2HD ARG 29 -7.641 -6.152 -9.046 216 2HD ARG 29 1HD ARG 29 -6.807 -4.932 -8.075 217 HE ARG 29 HE ARG 29 -6.638 -4.049 -10.629 218 1HH1 ARG 29 1HH1 ARG 29 -9.419 -5.056 -8.750 219 2HH1 ARG 29 2HH1 ARG 29 -10.391 -3.698 -9.103 220 1HH2 ARG 29 1HH2 ARG 29 -7.976 -2.244 -11.276 221 2HH2 ARG 29 2HH2 ARG 29 -9.529 -2.047 -10.625 222 H LYS 30 H LYS 30 -5.074 -8.154 -5.184 223 HA LYS 30 HA LYS 30 -3.380 -8.721 -3.759 224 1HB LYS 30 2HB LYS 30 -4.172 -10.959 -4.460 225 2HB LYS 30 1HB LYS 30 -3.086 -10.933 -5.835 226 1HG LYS 30 2HG LYS 30 -1.167 -11.071 -4.350 227 2HG LYS 30 1HG LYS 30 -2.229 -10.990 -2.944 228 1HD LYS 30 2HD LYS 30 -3.198 -13.108 -3.486 229 2HD LYS 30 1HD LYS 30 -2.357 -13.152 -5.038 230 1HE LYS 30 2HE LYS 30 -0.221 -13.275 -3.915 231 2HE LYS 30 1HE LYS 30 -1.006 -13.134 -2.344 232 1HZ LYS 30 1HZ LYS 30 -0.361 -15.422 -3.068 233 2HZ LYS 30 2HZ LYS 30 -1.628 -15.363 -4.208 234 3HZ LYS 30 3HZ LYS 30 -1.946 -15.223 -2.555 235 H GLN 31 H GLN 31 -2.731 -6.912 -5.335 236 HA GLN 31 HA GLN 31 0.311 -6.936 -5.721 237 1HB GLN 31 2HB GLN 31 0.384 -6.208 -7.885 238 2HB GLN 31 1HB GLN 31 -0.911 -7.376 -7.934 239 1HG GLN 31 2HG GLN 31 -2.555 -5.570 -7.933 240 2HG GLN 31 1HG GLN 31 -1.256 -4.380 -7.836 241 1HE2 GLN 31 1HE2 GLN 31 -3.251 -4.607 -9.942 242 2HE2 GLN 31 2HE2 GLN 31 -2.392 -4.946 -11.386 243 H CYS 32 H CYS 32 1.590 -5.051 -5.433 244 HA CYS 32 HA CYS 32 0.206 -3.308 -3.868 245 1HB CYS 32 2HB CYS 32 3.031 -3.634 -4.817 246 2HB CYS 32 1HB CYS 32 2.516 -2.324 -3.767 247 H LEU 33 H LEU 33 -0.243 -1.118 -4.653 248 HA LEU 33 HA LEU 33 0.800 -0.193 -7.212 249 1HB LEU 33 2HB LEU 33 -1.435 0.301 -8.083 250 2HB LEU 33 1HB LEU 33 -1.103 -1.411 -8.007 251 HG LEU 33 HG LEU 33 -2.559 -1.479 -5.925 252 1HD1 LEU 33 1HD1 LEU 33 -2.545 0.899 -5.361 253 2HD1 LEU 33 2HD1 LEU 33 -4.187 0.308 -5.630 254 3HD1 LEU 33 3HD1 LEU 33 -3.383 1.267 -6.870 255 1HD2 LEU 33 1HD2 LEU 33 -4.621 -1.487 -7.232 256 2HD2 LEU 33 2HD2 LEU 33 -3.296 -2.270 -8.091 257 3HD2 LEU 33 3HD2 LEU 33 -3.793 -0.636 -8.537 258 H ARG 34 H ARG 34 0.680 1.703 -7.668 259 HA ARG 34 HA ARG 34 1.103 3.433 -5.458 260 1HB ARG 34 2HB ARG 34 2.525 3.379 -7.475 261 2HB ARG 34 1HB ARG 34 1.178 3.867 -8.459 262 1HG ARG 34 2HG ARG 34 2.465 5.630 -6.363 263 2HG ARG 34 1HG ARG 34 2.947 5.601 -8.048 264 1HD ARG 34 2HD ARG 34 0.363 6.134 -8.414 265 2HD ARG 34 1HD ARG 34 0.506 6.726 -6.754 266 HE ARG 34 HE ARG 34 2.088 7.717 -9.041 267 1HH1 ARG 34 1HH1 ARG 34 0.602 8.373 -5.871 268 2HH1 ARG 34 2HH1 ARG 34 0.935 10.046 -5.958 269 1HH2 ARG 34 1HH2 ARG 34 2.544 9.971 -9.087 270 2HH2 ARG 34 2HH2 ARG 34 2.100 10.979 -7.803 271 H PHE 35 H PHE 35 0.034 5.051 -4.908 272 HA PHE 35 HA PHE 35 -2.379 5.299 -6.117 273 1HB PHE 35 2HB PHE 35 -3.647 5.825 -3.889 274 2HB PHE 35 1HB PHE 35 -2.993 4.221 -4.095 275 HD1 PHE 35 1HD PHE 35 -3.444 6.788 -1.861 276 HD2 PHE 35 2HD PHE 35 -0.438 4.047 -3.116 277 HE1 PHE 35 1HE PHE 35 -2.346 6.991 0.318 278 HE2 PHE 35 2HE PHE 35 0.664 4.256 -0.934 279 HZ PHE 35 HZ PHE 35 -0.294 5.723 0.790 280 H ASP 36 H ASP 36 -3.285 8.009 -5.165 281 HA ASP 36 HA ASP 36 -0.840 9.459 -5.107 282 1HB ASP 36 2HB ASP 36 -3.615 10.198 -5.985 283 2HB ASP 36 1HB ASP 36 -2.458 11.461 -5.599 284 H TYR 37 H TYR 37 -0.392 9.210 -3.011 285 HA TYR 37 HA TYR 37 -2.209 9.853 -0.856 286 1HB TYR 37 2HB TYR 37 -0.429 8.143 -0.727 287 2HB TYR 37 1HB TYR 37 0.776 9.360 -1.045 288 HD1 TYR 37 1HD TYR 37 -1.977 8.612 1.403 289 HD2 TYR 37 2HD TYR 37 1.888 10.297 0.819 290 HE1 TYR 37 1HE TYR 37 -1.779 8.973 3.828 291 HE2 TYR 37 2HE TYR 37 2.093 10.666 3.240 292 HH TYR 37 HH TYR 37 0.751 10.869 5.233 293 H THR 38 H THR 38 -2.495 11.944 -0.008 294 HA THR 38 HA THR 38 -1.024 13.862 -1.441 295 HB THR 38 HB THR 38 -2.934 15.303 -0.450 296 HG1 THR 38 1HG THR 38 -4.451 13.028 -0.331 297 1HG2 THR 38 1HG2 THR 38 -4.453 14.474 -2.206 298 2HG2 THR 38 2HG2 THR 38 -3.473 13.015 -2.358 299 3HG2 THR 38 3HG2 THR 38 -2.793 14.582 -2.794 300 H GLY 39 H GLY 39 0.306 12.668 0.703 301 1HA GLY 39 2HA GLY 39 1.638 13.120 2.467 302 2HA GLY 39 1HA GLY 39 1.365 14.785 2.045 303 H GLN 40 H GLN 40 -1.690 14.330 3.080 304 HA GLN 40 HA GLN 40 -0.851 14.323 5.868 305 1HB GLN 40 2HB GLN 40 -1.033 16.666 5.026 306 2HB GLN 40 1HB GLN 40 -2.712 16.360 4.613 307 1HG GLN 40 2HG GLN 40 -2.684 17.536 6.671 308 2HG GLN 40 1HG GLN 40 -3.124 15.860 7.023 309 1HE2 GLN 40 1HE2 GLN 40 -2.401 16.019 9.151 310 2HE2 GLN 40 2HE2 GLN 40 -0.723 16.051 9.551 311 H GLY 41 H GLY 41 -2.471 12.973 7.095 312 1HA GLY 41 2HA GLY 41 -4.688 12.600 7.588 313 2HA GLY 41 1HA GLY 41 -5.135 13.432 6.112 314 H GLY 42 H GLY 42 -3.083 10.599 6.579 315 1HA GLY 42 2HA GLY 42 -4.844 9.249 4.681 316 2HA GLY 42 1HA GLY 42 -3.093 9.087 4.690 317 H ASN 43 H ASN 43 -3.083 6.872 4.969 318 HA ASN 43 HA ASN 43 -4.285 5.622 7.330 319 1HB ASN 43 2HB ASN 43 -4.201 3.718 5.911 320 2HB ASN 43 1HB ASN 43 -5.075 4.948 5.013 321 1HD2 ASN 43 1HD2 ASN 43 -3.647 2.600 4.081 322 2HD2 ASN 43 2HD2 ASN 43 -2.414 3.165 2.996 323 H GLU 44 H GLU 44 -3.100 3.967 8.014 324 HA GLU 44 HA GLU 44 -0.373 4.672 8.872 325 1HB GLU 44 2HB GLU 44 -2.051 2.233 9.347 326 2HB GLU 44 1HB GLU 44 -0.624 2.750 10.233 327 1HG GLU 44 2HG GLU 44 -3.312 4.105 10.175 328 2HG GLU 44 1HG GLU 44 -2.586 3.230 11.522 329 H ASN 45 H ASN 45 -1.751 2.669 6.435 330 HA ASN 45 HA ASN 45 0.713 1.212 6.146 331 1HB ASN 45 2HB ASN 45 -1.451 0.130 5.701 332 2HB ASN 45 1HB ASN 45 -1.761 1.281 4.407 333 1HD2 ASN 45 1HD2 ASN 45 -0.134 -1.541 5.338 334 2HD2 ASN 45 2HD2 ASN 45 0.546 -1.929 3.793 335 H ASN 46 H ASN 46 2.213 3.643 5.294 336 HA ASN 46 HA ASN 46 1.573 3.511 2.679 337 1HB ASN 46 2HB ASN 46 1.299 5.478 4.136 338 2HB ASN 46 1HB ASN 46 2.995 5.369 4.581 339 1HD2 ASN 46 1HD2 ASN 46 0.722 6.222 2.202 340 2HD2 ASN 46 2HD2 ASN 46 1.813 7.048 1.142 341 H PHE 47 H PHE 47 3.067 2.788 1.240 342 HA PHE 47 HA PHE 47 5.622 2.194 2.347 343 1HB PHE 47 2HB PHE 47 4.359 1.095 -0.152 344 2HB PHE 47 1HB PHE 47 5.936 0.623 0.480 345 HD1 PHE 47 1HD PHE 47 2.616 -0.252 0.354 346 HD2 PHE 47 2HD PHE 47 5.849 0.028 3.077 347 HE1 PHE 47 1HE PHE 47 1.511 -1.870 1.826 348 HE2 PHE 47 2HE PHE 47 4.759 -1.591 4.554 349 HZ PHE 47 HZ PHE 47 2.580 -2.541 3.921 350 H ARG 48 H ARG 48 7.366 3.145 1.414 351 HA ARG 48 HA ARG 48 7.117 5.150 -0.810 352 1HB ARG 48 2HB ARG 48 7.935 5.904 1.430 353 2HB ARG 48 1HB ARG 48 9.285 4.802 1.241 354 1HG ARG 48 2HG ARG 48 9.909 7.099 0.688 355 2HG ARG 48 1HG ARG 48 10.056 6.041 -0.708 356 1HD ARG 48 2HD ARG 48 8.047 6.966 -1.709 357 2HD ARG 48 1HD ARG 48 7.637 7.837 -0.243 358 HE ARG 48 HE ARG 48 10.094 8.725 -0.892 359 1HH1 ARG 48 1HH1 ARG 48 7.110 8.552 -2.872 360 2HH1 ARG 48 2HH1 ARG 48 7.298 10.116 -3.500 361 1HH2 ARG 48 1HH2 ARG 48 10.292 10.904 -1.802 362 2HH2 ARG 48 2HH2 ARG 48 9.130 11.482 -2.888 363 H ARG 49 H ARG 49 8.251 1.855 -0.221 364 HA ARG 49 HA ARG 49 9.655 2.130 -2.672 365 1HB ARG 49 2HB ARG 49 11.313 2.197 -0.902 366 2HB ARG 49 1HB ARG 49 10.617 0.787 -0.133 367 1HG ARG 49 2HG ARG 49 11.406 -0.644 -1.865 368 2HG ARG 49 1HG ARG 49 11.880 0.736 -2.859 369 1HD ARG 49 2HD ARG 49 13.828 -0.270 -1.802 370 2HD ARG 49 1HD ARG 49 13.562 1.358 -1.192 371 HE ARG 49 HE ARG 49 12.708 -1.029 0.305 372 1HH1 ARG 49 1HH1 ARG 49 14.434 2.089 0.211 373 2HH1 ARG 49 2HH1 ARG 49 14.888 2.027 1.850 374 1HH2 ARG 49 1HH2 ARG 49 13.336 -1.074 2.559 375 2HH2 ARG 49 2HH2 ARG 49 14.283 0.192 3.196 376 H THR 50 H THR 50 9.256 0.366 -4.012 377 HA THR 50 HA THR 50 6.902 -1.017 -3.910 378 HB THR 50 HB THR 50 9.286 -1.834 -5.557 379 HG1 THR 50 1HG THR 50 7.488 0.257 -6.265 380 1HG2 THR 50 1HG2 THR 50 7.204 -3.154 -5.817 381 2HG2 THR 50 2HG2 THR 50 7.555 -2.220 -7.269 382 3HG2 THR 50 3HG2 THR 50 6.312 -1.668 -6.144 383 H TYR 51 H TYR 51 10.185 -2.434 -3.522 384 HA TYR 51 HA TYR 51 9.353 -5.048 -3.003 385 1HB TYR 51 2HB TYR 51 11.650 -4.664 -3.582 386 2HB TYR 51 1HB TYR 51 11.895 -3.611 -2.189 387 HD1 TYR 51 1HD TYR 51 13.017 -4.512 -0.402 388 HD2 TYR 51 2HD TYR 51 10.834 -7.122 -2.946 389 HE1 TYR 51 1HE TYR 51 13.776 -6.422 0.926 390 HE2 TYR 51 2HE TYR 51 11.597 -9.048 -1.626 391 HH TYR 51 HH TYR 51 13.330 -9.651 -0.112 392 H ASP 52 H ASP 52 9.652 -2.308 -0.899 393 HA ASP 52 HA ASP 52 9.508 -3.813 1.536 394 1HB ASP 52 2HB ASP 52 10.238 -1.443 1.492 395 2HB ASP 52 1HB ASP 52 8.610 -0.964 1.029 396 H CYS 53 H CYS 53 7.044 -2.345 -0.435 397 HA CYS 53 HA CYS 53 4.713 -3.188 0.987 398 1HB CYS 53 2HB CYS 53 4.694 -1.646 -0.956 399 2HB CYS 53 1HB CYS 53 4.994 -3.024 -2.012 400 H GLN 54 H GLN 54 6.248 -4.505 -1.503 401 HA GLN 54 HA GLN 54 5.112 -7.135 -1.909 402 1HB GLN 54 2HB GLN 54 6.538 -6.331 -3.564 403 2HB GLN 54 1HB GLN 54 7.986 -6.484 -2.528 404 1HG GLN 54 2HG GLN 54 7.471 -8.967 -2.553 405 2HG GLN 54 1HG GLN 54 6.270 -8.619 -3.800 406 1HE2 GLN 54 1HE2 GLN 54 9.607 -8.947 -3.081 407 2HE2 GLN 54 2HE2 GLN 54 10.200 -8.705 -4.676 408 H ARG 55 H ARG 55 7.787 -6.367 0.030 409 HA ARG 55 HA ARG 55 8.181 -9.012 1.030 410 1HB ARG 55 2HB ARG 55 9.996 -7.372 0.973 411 2HB ARG 55 1HB ARG 55 9.122 -6.346 2.092 412 1HG ARG 55 2HG ARG 55 9.430 -7.908 3.864 413 2HG ARG 55 1HG ARG 55 10.106 -9.108 2.753 414 1HD ARG 55 2HD ARG 55 11.965 -7.654 2.262 415 2HD ARG 55 1HD ARG 55 11.285 -6.386 3.262 416 HE ARG 55 HE ARG 55 11.573 -7.897 5.166 417 1HH1 ARG 55 1HH1 ARG 55 13.512 -8.625 2.258 418 2HH1 ARG 55 2HH1 ARG 55 14.858 -9.177 3.132 419 1HH2 ARG 55 1HH2 ARG 55 13.468 -8.650 6.363 420 2HH2 ARG 55 2HH2 ARG 55 14.860 -9.152 5.525 421 H THR 56 H THR 56 6.377 -6.074 2.432 422 HA THR 56 HA THR 56 5.822 -7.853 4.430 423 HB THR 56 HB THR 56 6.104 -5.583 5.036 424 HG1 THR 56 1HG THR 56 4.697 -6.862 6.258 425 1HG2 THR 56 1HG2 THR 56 3.602 -5.008 3.468 426 2HG2 THR 56 2HG2 THR 56 5.237 -4.511 3.045 427 3HG2 THR 56 3HG2 THR 56 4.462 -3.856 4.488 428 H CYS 57 H CYS 57 3.769 -6.771 1.710 429 HA CYS 57 HA CYS 57 1.457 -8.090 2.900 430 1HB CYS 57 2HB CYS 57 1.468 -6.147 0.578 431 2HB CYS 57 1HB CYS 57 0.089 -6.722 1.515 432 H LEU 58 H LEU 58 3.677 -8.513 0.437 433 HA LEU 58 HA LEU 58 1.893 -10.323 -0.992 434 1HB LEU 58 2HB LEU 58 3.075 -8.544 -2.252 435 2HB LEU 58 1HB LEU 58 4.604 -9.228 -1.779 436 HG LEU 58 HG LEU 58 3.894 -9.613 -4.164 437 1HD1 LEU 58 1HD1 LEU 58 4.425 -12.085 -2.548 438 2HD1 LEU 58 2HD1 LEU 58 5.626 -10.991 -3.238 439 3HD1 LEU 58 3HD1 LEU 58 4.584 -11.940 -4.299 440 1HD2 LEU 58 1HD2 LEU 58 1.533 -9.999 -3.796 441 2HD2 LEU 58 2HD2 LEU 58 1.895 -11.480 -2.903 442 3HD2 LEU 58 3HD2 LEU 58 2.264 -11.372 -4.627 443 H TYR 59 H TYR 59 4.579 -10.364 1.200 444 HA TYR 59 HA TYR 59 4.976 -13.162 0.593 445 1HB TYR 59 2HB TYR 59 6.546 -11.312 2.394 446 2HB TYR 59 1HB TYR 59 6.847 -13.038 2.271 447 HD1 TYR 59 1HD TYR 59 8.861 -10.872 1.761 448 HD2 TYR 59 2HD TYR 59 6.204 -12.891 -0.865 449 HE1 TYR 59 1HE TYR 59 10.398 -10.458 -0.106 450 HE2 TYR 59 2HE TYR 59 7.726 -12.481 -2.733 451 HH TYR 59 HH TYR 59 10.866 -11.593 -2.340 452 H THR 60 H THR 60 2.998 -14.074 1.475 453 HA THR 60 HA THR 60 2.853 -14.555 4.107 454 HB THR 60 HB THR 60 2.283 -12.174 4.471 455 HG1 THR 60 1HG THR 60 -0.275 -12.952 4.846 456 1HG2 THR 60 1HG2 THR 60 0.263 -11.139 3.495 457 2HG2 THR 60 2HG2 THR 60 -0.009 -12.591 2.533 458 3HG2 THR 60 3HG2 THR 60 1.416 -11.599 2.239 Start of MODEL 19 1 1H LYS 1 1HT LYS 1 -2.217 -13.953 11.079 2 2H LYS 1 2HT LYS 1 -1.381 -12.675 10.436 3 3H LYS 1 3HT LYS 1 -0.587 -13.705 11.527 4 HA LYS 1 HA LYS 1 0.026 -14.046 9.214 5 1HB LYS 1 2HB LYS 1 -0.486 -16.518 9.085 6 2HB LYS 1 1HB LYS 1 0.137 -16.027 10.653 7 1HG LYS 1 2HG LYS 1 -2.196 -15.968 11.499 8 2HG LYS 1 1HG LYS 1 -2.734 -16.591 9.942 9 1HD LYS 1 2HD LYS 1 -2.539 -18.364 11.637 10 2HD LYS 1 1HD LYS 1 -1.424 -18.619 10.289 11 1HE LYS 1 2HE LYS 1 0.421 -17.838 11.585 12 2HE LYS 1 1HE LYS 1 -0.645 -17.274 12.869 13 1HZ LYS 1 1HZ LYS 1 -1.200 -19.488 13.414 14 2HZ LYS 1 2HZ LYS 1 0.471 -19.396 13.384 15 3HZ LYS 1 3HZ LYS 1 -0.361 -20.130 12.094 16 H ASP 2 H ASP 2 -0.999 -15.540 7.261 17 HA ASP 2 HA ASP 2 -2.359 -15.542 5.451 18 1HB ASP 2 2HB ASP 2 -4.429 -14.536 7.413 19 2HB ASP 2 1HB ASP 2 -4.783 -14.608 5.694 20 H ARG 3 H ARG 3 -3.081 -12.550 7.113 21 HA ARG 3 HA ARG 3 -1.811 -11.050 4.957 22 1HB ARG 3 2HB ARG 3 -4.604 -10.450 5.976 23 2HB ARG 3 1HB ARG 3 -3.676 -9.469 4.879 24 1HG ARG 3 2HG ARG 3 -3.918 -11.174 3.150 25 2HG ARG 3 1HG ARG 3 -4.836 -12.187 4.278 26 1HD ARG 3 2HD ARG 3 -6.445 -10.358 4.579 27 2HD ARG 3 1HD ARG 3 -5.556 -9.391 3.420 28 HE ARG 3 HE ARG 3 -6.271 -11.736 2.146 29 1HH1 ARG 3 1HH1 ARG 3 -7.940 -9.119 3.820 30 2HH1 ARG 3 2HH1 ARG 3 -9.266 -9.022 2.772 31 1HH2 ARG 3 1HH2 ARG 3 -8.189 -11.653 0.615 32 2HH2 ARG 3 2HH2 ARG 3 -9.391 -10.479 0.922 33 HA PRO 4 HA PRO 4 -1.050 -8.911 8.827 34 1HB PRO 4 2HB PRO 4 0.031 -6.761 7.012 35 2HB PRO 4 1HB PRO 4 0.817 -7.498 8.413 36 1HG PRO 4 2HG PRO 4 1.575 -8.102 5.911 37 2HG PRO 4 1HG PRO 4 1.578 -9.315 7.201 38 1HD PRO 4 2HD PRO 4 -0.391 -8.912 4.985 39 2HD PRO 4 1HD PRO 4 0.225 -10.426 5.683 40 H SER 5 H SER 5 -2.904 -7.658 9.520 41 HA SER 5 HA SER 5 -4.926 -7.104 7.860 42 1HB SER 5 2HB SER 5 -4.387 -5.966 10.582 43 2HB SER 5 1HB SER 5 -5.960 -5.975 9.769 44 HG SER 5 HG SER 5 -5.585 -8.261 9.498 45 H LEU 6 H LEU 6 -2.119 -5.049 8.290 46 HA LEU 6 HA LEU 6 -3.483 -2.694 7.714 47 1HB LEU 6 2HB LEU 6 -1.151 -1.773 7.544 48 2HB LEU 6 1HB LEU 6 -1.599 -2.455 9.084 49 HG LEU 6 HG LEU 6 -0.300 -4.536 8.408 50 1HD1 LEU 6 1HD1 LEU 6 1.447 -4.285 6.723 51 2HD1 LEU 6 2HD1 LEU 6 0.772 -2.726 6.253 52 3HD1 LEU 6 3HD1 LEU 6 -0.168 -4.202 6.018 53 1HD2 LEU 6 1HD2 LEU 6 1.856 -3.539 8.992 54 2HD2 LEU 6 2HD2 LEU 6 0.544 -2.937 10.008 55 3HD2 LEU 6 3HD2 LEU 6 1.185 -1.937 8.705 56 H CYS 7 H CYS 7 -2.591 -5.299 5.788 57 HA CYS 7 HA CYS 7 -2.005 -3.840 3.404 58 1HB CYS 7 2HB CYS 7 -2.829 -6.714 3.828 59 2HB CYS 7 1HB CYS 7 -2.146 -6.039 2.355 60 H ASP 8 H ASP 8 -4.772 -4.807 5.201 61 HA ASP 8 HA ASP 8 -6.687 -4.489 2.985 62 1HB ASP 8 2HB ASP 8 -6.816 -6.573 4.433 63 2HB ASP 8 1HB ASP 8 -7.118 -5.540 5.823 64 H LEU 9 H LEU 9 -5.221 -2.262 4.124 65 HA LEU 9 HA LEU 9 -6.879 -1.145 6.217 66 1HB LEU 9 2HB LEU 9 -4.348 -1.581 6.568 67 2HB LEU 9 1HB LEU 9 -4.084 -0.352 5.370 68 HG LEU 9 HG LEU 9 -3.712 0.468 7.626 69 1HD1 LEU 9 1HD1 LEU 9 -4.423 2.094 6.022 70 2HD1 LEU 9 2HD1 LEU 9 -5.095 2.466 7.612 71 3HD1 LEU 9 3HD1 LEU 9 -6.115 1.739 6.368 72 1HD2 LEU 9 1HD2 LEU 9 -6.610 -0.183 8.113 73 2HD2 LEU 9 2HD2 LEU 9 -5.575 0.735 9.205 74 3HD2 LEU 9 3HD2 LEU 9 -5.211 -0.957 8.860 75 HA PRO 10 HA PRO 10 -9.066 1.148 3.409 76 1HB PRO 10 2HB PRO 10 -7.889 3.384 4.969 77 2HB PRO 10 1HB PRO 10 -9.553 3.125 4.429 78 1HG PRO 10 2HG PRO 10 -8.526 2.439 6.929 79 2HG PRO 10 1HG PRO 10 -10.038 1.839 6.224 80 1HD PRO 10 2HD PRO 10 -7.713 0.337 6.808 81 2HD PRO 10 1HD PRO 10 -9.127 -0.205 5.880 82 H ALA 11 H ALA 11 -8.551 1.185 1.568 83 HA ALA 11 HA ALA 11 -6.039 2.374 0.326 84 1HB ALA 11 1HB ALA 11 -8.715 1.391 -0.835 85 2HB ALA 11 2HB ALA 11 -7.197 0.510 -0.964 86 3HB ALA 11 3HB ALA 11 -7.399 2.049 -1.807 87 H ASP 12 H ASP 12 -5.936 4.057 1.182 88 HA ASP 12 HA ASP 12 -8.002 6.097 0.722 89 1HB ASP 12 2HB ASP 12 -8.204 5.432 3.090 90 2HB ASP 12 1HB ASP 12 -6.490 5.759 3.318 91 H SER 13 H SER 13 -7.617 8.096 0.223 92 HA SER 13 HA SER 13 -4.971 8.407 -1.061 93 1HB SER 13 2HB SER 13 -6.261 10.244 -2.224 94 2HB SER 13 1HB SER 13 -6.754 8.589 -2.601 95 HG SER 13 HG SER 13 -8.070 10.458 -0.876 96 H GLY 14 H GLY 14 -6.646 9.635 1.616 97 1HA GLY 14 2HA GLY 14 -5.865 11.178 3.114 98 2HA GLY 14 1HA GLY 14 -4.443 11.389 2.097 99 H SER 15 H SER 15 -5.551 13.566 3.160 100 HA SER 15 HA SER 15 -6.460 14.625 0.942 101 1HB SER 15 2HB SER 15 -8.493 15.011 3.162 102 2HB SER 15 1HB SER 15 -8.478 16.109 1.779 103 HG SER 15 HG SER 15 -9.751 13.900 1.898 104 H GLY 16 H GLY 16 -4.204 14.846 1.764 105 1HA GLY 16 2HA GLY 16 -3.682 17.192 3.277 106 2HA GLY 16 1HA GLY 16 -2.517 16.121 2.535 107 H THR 17 H THR 17 -1.756 18.453 2.460 108 HA THR 17 HA THR 17 -2.675 20.127 0.280 109 HB THR 17 HB THR 17 -0.786 21.505 1.261 110 HG1 THR 17 1HG THR 17 -0.724 20.569 3.659 111 1HG2 THR 17 1HG2 THR 17 -3.177 21.925 1.699 112 2HG2 THR 17 2HG2 THR 17 -2.210 22.210 3.141 113 3HG2 THR 17 3HG2 THR 17 -3.151 20.724 2.991 114 H LYS 18 H LYS 18 -0.260 17.618 0.524 115 HA LYS 18 HA LYS 18 1.656 18.751 -1.450 116 1HB LYS 18 2HB LYS 18 2.518 18.366 0.903 117 2HB LYS 18 1HB LYS 18 1.813 16.769 0.863 118 1HG LYS 18 2HG LYS 18 4.153 16.551 0.548 119 2HG LYS 18 1HG LYS 18 3.380 16.208 -0.995 120 1HD LYS 18 2HD LYS 18 3.928 18.485 -1.746 121 2HD LYS 18 1HD LYS 18 4.725 18.786 -0.194 122 1HE LYS 18 2HE LYS 18 6.250 16.893 -0.655 123 2HE LYS 18 1HE LYS 18 5.484 16.688 -2.225 124 1HZ LYS 18 1HZ LYS 18 6.854 19.139 -1.319 125 2HZ LYS 18 2HZ LYS 18 6.296 18.839 -2.911 126 3HZ LYS 18 3HZ LYS 18 7.576 17.974 -2.288 127 H ALA 19 H ALA 19 2.504 17.140 -2.835 128 HA ALA 19 HA ALA 19 0.678 14.861 -3.258 129 1HB ALA 19 1HB ALA 19 1.362 14.942 -5.611 130 2HB ALA 19 2HB ALA 19 2.400 16.329 -5.275 131 3HB ALA 19 3HB ALA 19 0.650 16.489 -5.143 132 H GLU 20 H GLU 20 1.525 12.936 -2.899 133 HA GLU 20 HA GLU 20 4.399 12.660 -3.054 134 1HB GLU 20 2HB GLU 20 3.855 13.138 -0.731 135 2HB GLU 20 1HB GLU 20 2.700 11.817 -0.702 136 1HG GLU 20 2HG GLU 20 4.791 11.235 0.395 137 2HG GLU 20 1HG GLU 20 4.474 10.222 -1.019 138 H LYS 21 H LYS 21 5.034 10.606 -3.573 139 HA LYS 21 HA LYS 21 2.997 8.860 -4.879 140 1HB LYS 21 2HB LYS 21 4.935 9.850 -6.164 141 2HB LYS 21 1HB LYS 21 5.991 8.931 -5.101 142 1HG LYS 21 2HG LYS 21 4.759 6.869 -5.860 143 2HG LYS 21 1HG LYS 21 4.005 7.883 -7.088 144 1HD LYS 21 2HD LYS 21 5.876 6.855 -8.113 145 2HD LYS 21 1HD LYS 21 6.335 8.534 -7.799 146 1HE LYS 21 2HE LYS 21 7.498 7.824 -5.762 147 2HE LYS 21 1HE LYS 21 7.029 6.152 -6.083 148 1HZ LYS 21 1HZ LYS 21 8.956 7.828 -7.618 149 2HZ LYS 21 2HZ LYS 21 8.228 6.475 -8.267 150 3HZ LYS 21 3HZ LYS 21 9.177 6.301 -6.905 151 H ARG 22 H ARG 22 2.224 7.343 -3.269 152 HA ARG 22 HA ARG 22 4.435 5.996 -2.094 153 1HB ARG 22 2HB ARG 22 1.615 6.438 -1.136 154 2HB ARG 22 1HB ARG 22 2.792 5.430 -0.309 155 1HG ARG 22 2HG ARG 22 3.168 8.372 -0.862 156 2HG ARG 22 1HG ARG 22 2.511 7.728 0.640 157 1HD ARG 22 2HD ARG 22 4.615 6.507 1.014 158 2HD ARG 22 1HD ARG 22 5.263 7.177 -0.485 159 HE ARG 22 HE ARG 22 5.324 9.317 0.502 160 1HH1 ARG 22 1HH1 ARG 22 4.430 6.807 2.839 161 2HH1 ARG 22 2HH1 ARG 22 4.823 7.707 4.206 162 1HH2 ARG 22 1HH2 ARG 22 5.866 10.631 2.469 163 2HH2 ARG 22 2HH2 ARG 22 5.587 9.928 3.981 164 H ILE 23 H ILE 23 3.225 3.512 -1.382 165 HA ILE 23 HA ILE 23 1.523 2.724 -3.615 166 HB ILE 23 HB ILE 23 3.862 2.139 -4.273 167 1HG1 ILE 23 2HG1 ILE 23 2.339 -0.363 -3.584 168 2HG1 ILE 23 1HG1 ILE 23 1.982 0.677 -4.957 169 1HG2 ILE 23 1HG2 ILE 23 4.856 1.847 -2.063 170 2HG2 ILE 23 2HG2 ILE 23 5.133 0.443 -3.107 171 3HG2 ILE 23 3HG2 ILE 23 3.906 0.364 -1.859 172 1HD1 ILE 23 1HD1 ILE 23 4.552 -0.819 -4.502 173 2HD1 ILE 23 2HD1 ILE 23 4.181 0.214 -5.888 174 3HD1 ILE 23 3HD1 ILE 23 3.266 -1.270 -5.623 175 H TYR 24 H TYR 24 0.006 1.016 -3.020 176 HA TYR 24 HA TYR 24 0.224 0.207 -0.188 177 1HB TYR 24 2HB TYR 24 -2.144 0.529 0.191 178 2HB TYR 24 1HB TYR 24 -1.509 2.036 -0.434 179 HD1 TYR 24 1HD TYR 24 -3.838 -0.661 -0.892 180 HD2 TYR 24 2HD TYR 24 -2.115 2.682 -2.827 181 HE1 TYR 24 1HE TYR 24 -5.644 -0.714 -2.542 182 HE2 TYR 24 2HE TYR 24 -3.916 2.642 -4.487 183 HH TYR 24 HH TYR 24 -6.745 0.730 -4.119 184 H TYR 25 H TYR 25 -0.730 -1.657 0.160 185 HA TYR 25 HA TYR 25 -0.617 -3.646 -1.882 186 1HB TYR 25 2HB TYR 25 -0.266 -4.439 0.329 187 2HB TYR 25 1HB TYR 25 -1.884 -3.949 0.827 188 HD1 TYR 25 1HD TYR 25 -0.237 -6.163 -1.719 189 HD2 TYR 25 2HD TYR 25 -3.533 -5.579 0.898 190 HE1 TYR 25 1HE TYR 25 -1.098 -8.398 -2.302 191 HE2 TYR 25 2HE TYR 25 -4.396 -7.804 0.328 192 HH TYR 25 HH TYR 25 -2.527 -10.093 -1.338 193 H ASN 26 H ASN 26 -2.287 -4.060 -3.433 194 HA ASN 26 HA ASN 26 -5.004 -3.178 -2.771 195 1HB ASN 26 2HB ASN 26 -3.963 -2.479 -4.976 196 2HB ASN 26 1HB ASN 26 -3.914 -4.185 -5.411 197 1HD2 ASN 26 1HD2 ASN 26 -5.878 -1.395 -5.034 198 2HD2 ASN 26 2HD2 ASN 26 -7.333 -2.095 -5.632 199 H SER 27 H SER 27 -6.359 -4.440 -2.293 200 HA SER 27 HA SER 27 -5.463 -7.059 -1.793 201 1HB SER 27 2HB SER 27 -6.726 -5.961 -0.022 202 2HB SER 27 1HB SER 27 -8.181 -5.974 -1.020 203 HG SER 27 HG SER 27 -8.457 -8.005 -0.672 204 H ALA 28 H ALA 28 -7.839 -5.763 -4.019 205 HA ALA 28 HA ALA 28 -9.041 -8.254 -4.619 206 1HB ALA 28 1HB ALA 28 -10.276 -6.208 -4.907 207 2HB ALA 28 2HB ALA 28 -10.142 -7.036 -6.459 208 3HB ALA 28 3HB ALA 28 -9.120 -5.642 -6.114 209 H ARG 29 H ARG 29 -6.642 -6.191 -5.961 210 HA ARG 29 HA ARG 29 -6.060 -7.865 -8.292 211 1HB ARG 29 2HB ARG 29 -4.552 -5.448 -7.261 212 2HB ARG 29 1HB ARG 29 -4.170 -6.308 -8.745 213 1HG ARG 29 2HG ARG 29 -6.773 -4.895 -8.208 214 2HG ARG 29 1HG ARG 29 -5.414 -4.213 -9.096 215 1HD ARG 29 2HD ARG 29 -7.011 -6.658 -9.846 216 2HD ARG 29 1HD ARG 29 -7.061 -5.085 -10.643 217 HE ARG 29 HE ARG 29 -4.743 -6.921 -10.651 218 1HH1 ARG 29 1HH1 ARG 29 -6.539 -4.273 -12.228 219 2HH1 ARG 29 2HH1 ARG 29 -5.628 -4.369 -13.648 220 1HH2 ARG 29 1HH2 ARG 29 -3.521 -6.982 -12.548 221 2HH2 ARG 29 2HH2 ARG 29 -3.836 -5.876 -13.829 222 H LYS 30 H LYS 30 -5.268 -7.992 -5.131 223 HA LYS 30 HA LYS 30 -3.661 -8.905 -3.763 224 1HB LYS 30 2HB LYS 30 -4.573 -10.957 -4.915 225 2HB LYS 30 1HB LYS 30 -3.287 -10.820 -6.107 226 1HG LYS 30 2HG LYS 30 -1.701 -10.948 -4.070 227 2HG LYS 30 1HG LYS 30 -3.108 -11.580 -3.220 228 1HD LYS 30 2HD LYS 30 -3.280 -13.390 -4.816 229 2HD LYS 30 1HD LYS 30 -1.942 -12.712 -5.754 230 1HE LYS 30 2HE LYS 30 -0.557 -12.902 -3.640 231 2HE LYS 30 1HE LYS 30 -1.860 -13.888 -2.989 232 1HZ LYS 30 1HZ LYS 30 -1.555 -15.393 -4.907 233 2HZ LYS 30 2HZ LYS 30 -0.186 -15.281 -3.920 234 3HZ LYS 30 3HZ LYS 30 -0.234 -14.451 -5.395 235 H GLN 31 H GLN 31 -2.843 -6.982 -5.143 236 HA GLN 31 HA GLN 31 0.205 -7.085 -5.372 237 1HB GLN 31 2HB GLN 31 0.428 -6.293 -7.533 238 2HB GLN 31 1HB GLN 31 -0.643 -7.676 -7.626 239 1HG GLN 31 2HG GLN 31 -2.545 -6.115 -7.781 240 2HG GLN 31 1HG GLN 31 -1.391 -4.777 -7.810 241 1HE2 GLN 31 1HE2 GLN 31 -1.928 -4.134 -9.911 242 2HE2 GLN 31 2HE2 GLN 31 -1.480 -5.079 -11.273 243 H CYS 32 H CYS 32 1.494 -5.301 -5.081 244 HA CYS 32 HA CYS 32 -0.254 -3.735 -3.792 245 1HB CYS 32 2HB CYS 32 1.842 -2.535 -2.858 246 2HB CYS 32 1HB CYS 32 1.523 -4.192 -2.388 247 H LEU 33 H LEU 33 -0.442 -1.348 -4.542 248 HA LEU 33 HA LEU 33 0.998 -0.461 -6.944 249 1HB LEU 33 2HB LEU 33 -1.077 -0.149 -8.190 250 2HB LEU 33 1HB LEU 33 -0.742 -1.843 -7.951 251 HG LEU 33 HG LEU 33 -2.499 -1.791 -6.102 252 1HD1 LEU 33 1HD1 LEU 33 -4.173 -0.026 -6.225 253 2HD1 LEU 33 2HD1 LEU 33 -3.177 0.853 -7.386 254 3HD1 LEU 33 3HD1 LEU 33 -2.604 0.607 -5.741 255 1HD2 LEU 33 1HD2 LEU 33 -4.337 -1.969 -7.691 256 2HD2 LEU 33 2HD2 LEU 33 -2.888 -2.779 -8.281 257 3HD2 LEU 33 3HD2 LEU 33 -3.344 -1.202 -8.931 258 H ARG 34 H ARG 34 0.642 1.443 -7.585 259 HA ARG 34 HA ARG 34 1.087 3.140 -5.340 260 1HB ARG 34 2HB ARG 34 2.578 2.990 -7.303 261 2HB ARG 34 1HB ARG 34 1.296 3.569 -8.329 262 1HG ARG 34 2HG ARG 34 2.584 5.215 -6.148 263 2HG ARG 34 1HG ARG 34 3.133 5.192 -7.817 264 1HD ARG 34 2HD ARG 34 0.746 5.902 -8.421 265 2HD ARG 34 1HD ARG 34 0.550 6.193 -6.690 266 HE ARG 34 HE ARG 34 2.848 7.495 -7.535 267 1HH1 ARG 34 1HH1 ARG 34 -0.679 7.729 -8.035 268 2HH1 ARG 34 2HH1 ARG 34 -0.600 9.430 -8.267 269 1HH2 ARG 34 1HH2 ARG 34 2.832 9.915 -7.919 270 2HH2 ARG 34 2HH2 ARG 34 1.290 10.590 -8.171 271 H PHE 35 H PHE 35 0.093 4.725 -4.799 272 HA PHE 35 HA PHE 35 -2.348 5.215 -6.041 273 1HB PHE 35 2HB PHE 35 -3.587 5.717 -3.857 274 2HB PHE 35 1HB PHE 35 -2.957 4.096 -4.056 275 HD1 PHE 35 1HD PHE 35 -0.487 3.797 -2.945 276 HD2 PHE 35 2HD PHE 35 -3.378 6.703 -1.828 277 HE1 PHE 35 1HE PHE 35 0.515 3.939 -0.707 278 HE2 PHE 35 2HE PHE 35 -2.366 6.854 0.396 279 HZ PHE 35 HZ PHE 35 -0.423 5.473 0.965 280 H ASP 36 H ASP 36 -3.106 7.868 -5.159 281 HA ASP 36 HA ASP 36 -0.652 9.163 -4.996 282 1HB ASP 36 2HB ASP 36 -2.164 10.004 -6.723 283 2HB ASP 36 1HB ASP 36 -3.476 10.147 -5.566 284 H TYR 37 H TYR 37 -0.025 9.752 -2.967 285 HA TYR 37 HA TYR 37 -2.010 9.920 -0.810 286 1HB TYR 37 2HB TYR 37 -0.251 8.130 -0.762 287 2HB TYR 37 1HB TYR 37 0.966 9.382 -0.812 288 HD1 TYR 37 1HD TYR 37 1.692 10.460 1.203 289 HD2 TYR 37 2HD TYR 37 -1.847 8.107 1.238 290 HE1 TYR 37 1HE TYR 37 1.594 10.654 3.647 291 HE2 TYR 37 2HE TYR 37 -1.958 8.294 3.678 292 HH TYR 37 HH TYR 37 -0.085 10.492 5.443 293 H THR 38 H THR 38 -2.058 11.936 0.393 294 HA THR 38 HA THR 38 -0.562 13.764 -1.134 295 HB THR 38 HB THR 38 -2.150 15.298 0.199 296 HG1 THR 38 1HG THR 38 -3.821 13.103 0.140 297 1HG2 THR 38 1HG2 THR 38 -3.830 14.902 -1.528 298 2HG2 THR 38 2HG2 THR 38 -3.101 13.340 -1.897 299 3HG2 THR 38 3HG2 THR 38 -2.211 14.829 -2.222 300 H GLY 39 H GLY 39 -0.837 13.143 2.406 301 1HA GLY 39 2HA GLY 39 1.592 12.962 3.303 302 2HA GLY 39 1HA GLY 39 1.764 14.538 2.544 303 H GLN 40 H GLN 40 -1.351 14.699 3.625 304 HA GLN 40 HA GLN 40 -0.639 14.759 6.341 305 1HB GLN 40 2HB GLN 40 -0.618 17.108 5.635 306 2HB GLN 40 1HB GLN 40 -2.174 16.921 4.843 307 1HG GLN 40 2HG GLN 40 -2.440 18.122 6.926 308 2HG GLN 40 1HG GLN 40 -3.241 16.561 7.016 309 1HE2 GLN 40 1HE2 GLN 40 -2.366 18.287 9.155 310 2HE2 GLN 40 2HE2 GLN 40 -1.322 17.350 10.149 311 H GLY 41 H GLY 41 -2.375 13.329 7.301 312 1HA GLY 41 2HA GLY 41 -4.665 12.924 7.591 313 2HA GLY 41 1HA GLY 41 -4.977 13.841 6.139 314 H GLY 42 H GLY 42 -2.997 10.858 6.593 315 1HA GLY 42 2HA GLY 42 -4.650 9.734 4.414 316 2HA GLY 42 1HA GLY 42 -2.923 9.460 4.566 317 H ASN 43 H ASN 43 -3.134 7.181 4.561 318 HA ASN 43 HA ASN 43 -4.563 5.712 6.702 319 1HB ASN 43 2HB ASN 43 -4.831 4.061 4.994 320 2HB ASN 43 1HB ASN 43 -5.509 5.549 4.350 321 1HD2 ASN 43 1HD2 ASN 43 -4.552 3.237 2.902 322 2HD2 ASN 43 2HD2 ASN 43 -3.218 3.781 1.920 323 H GLU 44 H GLU 44 -3.577 3.746 7.176 324 HA GLU 44 HA GLU 44 -0.757 4.021 7.716 325 1HB GLU 44 2HB GLU 44 -2.700 1.807 8.352 326 2HB GLU 44 1HB GLU 44 -1.085 2.012 9.009 327 1HG GLU 44 2HG GLU 44 -3.460 3.793 9.456 328 2HG GLU 44 1HG GLU 44 -2.698 2.723 10.632 329 H ASN 45 H ASN 45 -2.717 2.420 5.390 330 HA ASN 45 HA ASN 45 -0.644 0.540 4.562 331 1HB ASN 45 2HB ASN 45 -3.096 -0.055 4.381 332 2HB ASN 45 1HB ASN 45 -3.328 1.320 3.323 333 1HD2 ASN 45 1HD2 ASN 45 -4.289 -0.294 1.982 334 2HD2 ASN 45 2HD2 ASN 45 -3.318 -1.241 0.917 335 H ASN 46 H ASN 46 0.889 1.841 4.368 336 HA ASN 46 HA ASN 46 0.961 3.649 2.082 337 1HB ASN 46 2HB ASN 46 0.350 4.945 4.106 338 2HB ASN 46 1HB ASN 46 1.796 4.347 4.898 339 1HD2 ASN 46 1HD2 ASN 46 1.012 7.001 4.449 340 2HD2 ASN 46 2HD2 ASN 46 2.241 7.774 3.528 341 H PHE 47 H PHE 47 2.561 2.652 0.952 342 HA PHE 47 HA PHE 47 4.869 1.995 2.514 343 1HB PHE 47 2HB PHE 47 3.926 0.783 -0.075 344 2HB PHE 47 1HB PHE 47 5.478 0.402 0.667 345 HD1 PHE 47 1HD PHE 47 5.485 -0.615 2.968 346 HD2 PHE 47 2HD PHE 47 1.937 -0.227 0.659 347 HE1 PHE 47 1HE PHE 47 4.376 -2.285 4.385 348 HE2 PHE 47 2HE PHE 47 0.825 -1.897 2.075 349 HZ PHE 47 HZ PHE 47 2.044 -2.926 3.938 350 H ARG 48 H ARG 48 6.816 2.751 1.662 351 HA ARG 48 HA ARG 48 6.749 4.923 -0.396 352 1HB ARG 48 2HB ARG 48 7.684 5.462 1.868 353 2HB ARG 48 1HB ARG 48 8.922 4.243 1.587 354 1HG ARG 48 2HG ARG 48 10.032 6.156 0.952 355 2HG ARG 48 1HG ARG 48 9.400 5.592 -0.586 356 1HD ARG 48 2HD ARG 48 8.859 7.883 -0.658 357 2HD ARG 48 1HD ARG 48 7.379 7.217 -0.029 358 HE ARG 48 HE ARG 48 8.578 7.699 2.236 359 1HH1 ARG 48 1HH1 ARG 48 8.551 9.686 -0.677 360 2HH1 ARG 48 2HH1 ARG 48 8.782 11.163 0.128 361 1HH2 ARG 48 1HH2 ARG 48 8.911 9.744 3.402 362 2HH2 ARG 48 2HH2 ARG 48 8.973 11.187 2.533 363 H ARG 49 H ARG 49 7.689 1.512 0.002 364 HA ARG 49 HA ARG 49 9.400 1.920 -2.224 365 1HB ARG 49 2HB ARG 49 10.750 1.769 -0.186 366 2HB ARG 49 1HB ARG 49 9.966 0.258 0.244 367 1HG ARG 49 2HG ARG 49 11.010 -0.858 -1.618 368 2HG ARG 49 1HG ARG 49 11.698 0.664 -2.186 369 1HD ARG 49 2HD ARG 49 12.944 0.842 -0.050 370 2HD ARG 49 1HD ARG 49 12.318 -0.736 0.415 371 HE ARG 49 HE ARG 49 13.500 -1.512 -1.731 372 1HH1 ARG 49 1HH1 ARG 49 14.714 1.071 0.383 373 2HH1 ARG 49 2HH1 ARG 49 16.329 0.903 -0.092 374 1HH2 ARG 49 1HH2 ARG 49 15.707 -1.825 -2.317 375 2HH2 ARG 49 2HH2 ARG 49 16.923 -0.810 -1.671 376 H THR 50 H THR 50 9.185 0.269 -3.735 377 HA THR 50 HA THR 50 6.777 -1.109 -3.900 378 HB THR 50 HB THR 50 9.232 -1.627 -5.576 379 HG1 THR 50 1HG THR 50 7.381 0.568 -5.755 380 1HG2 THR 50 1HG2 THR 50 7.198 -2.940 -6.090 381 2HG2 THR 50 2HG2 THR 50 7.565 -1.794 -7.376 382 3HG2 THR 50 3HG2 THR 50 6.275 -1.445 -6.224 383 H TYR 51 H TYR 51 9.960 -2.252 -2.842 384 HA TYR 51 HA TYR 51 9.140 -4.985 -2.889 385 1HB TYR 51 2HB TYR 51 11.512 -4.519 -3.076 386 2HB TYR 51 1HB TYR 51 11.514 -3.669 -1.536 387 HD1 TYR 51 1HD TYR 51 12.259 -4.800 0.338 388 HD2 TYR 51 2HD TYR 51 10.740 -7.049 -2.937 389 HE1 TYR 51 1HE TYR 51 12.823 -6.881 1.511 390 HE2 TYR 51 2HE TYR 51 11.301 -9.134 -1.776 391 HH TYR 51 HH TYR 51 12.838 -9.880 -0.038 392 H ASP 52 H ASP 52 9.331 -2.462 -0.467 393 HA ASP 52 HA ASP 52 8.758 -4.065 1.812 394 1HB ASP 52 2HB ASP 52 8.223 -1.141 1.314 395 2HB ASP 52 1HB ASP 52 7.681 -1.915 2.798 396 H CYS 53 H CYS 53 6.451 -2.436 -0.301 397 HA CYS 53 HA CYS 53 4.127 -3.344 1.046 398 1HB CYS 53 2HB CYS 53 2.914 -3.056 -1.087 399 2HB CYS 53 1HB CYS 53 3.897 -1.676 -0.645 400 H GLN 54 H GLN 54 5.644 -4.564 -1.463 401 HA GLN 54 HA GLN 54 4.308 -7.076 -1.887 402 1HB GLN 54 2HB GLN 54 5.435 -6.305 -3.749 403 2HB GLN 54 1HB GLN 54 7.037 -6.470 -2.987 404 1HG GLN 54 2HG GLN 54 6.808 -8.861 -3.093 405 2HG GLN 54 1HG GLN 54 5.137 -8.712 -3.643 406 1HE2 GLN 54 1HE2 GLN 54 4.733 -8.034 -5.724 407 2HE2 GLN 54 2HE2 GLN 54 5.923 -8.079 -6.970 408 H ARG 55 H ARG 55 7.197 -6.639 -0.152 409 HA ARG 55 HA ARG 55 7.551 -9.417 0.724 410 1HB ARG 55 2HB ARG 55 9.298 -7.572 0.824 411 2HB ARG 55 1HB ARG 55 8.321 -6.815 2.063 412 1HG ARG 55 2HG ARG 55 8.646 -8.850 3.461 413 2HG ARG 55 1HG ARG 55 9.773 -9.436 2.229 414 1HD ARG 55 2HD ARG 55 10.995 -7.270 2.450 415 2HD ARG 55 1HD ARG 55 9.977 -6.914 3.835 416 HE ARG 55 HE ARG 55 11.197 -9.398 4.226 417 1HH1 ARG 55 1HH1 ARG 55 11.924 -5.944 4.180 418 2HH1 ARG 55 2HH1 ARG 55 13.350 -6.061 5.094 419 1HH2 ARG 55 1HH2 ARG 55 13.155 -9.610 5.407 420 2HH2 ARG 55 2HH2 ARG 55 14.107 -8.235 5.809 421 H THR 56 H THR 56 5.976 -6.566 2.473 422 HA THR 56 HA THR 56 5.354 -8.543 4.336 423 HB THR 56 HB THR 56 5.701 -6.236 5.070 424 HG1 THR 56 1HG THR 56 3.647 -7.803 5.803 425 1HG2 THR 56 1HG2 THR 56 3.067 -5.650 3.713 426 2HG2 THR 56 2HG2 THR 56 4.649 -5.059 3.205 427 3HG2 THR 56 3HG2 THR 56 3.965 -4.536 4.747 428 H CYS 57 H CYS 57 3.473 -7.315 1.622 429 HA CYS 57 HA CYS 57 1.159 -8.738 2.693 430 1HB CYS 57 2HB CYS 57 1.247 -6.750 0.446 431 2HB CYS 57 1HB CYS 57 -0.185 -7.452 1.181 432 H LEU 58 H LEU 58 3.499 -9.262 0.204 433 HA LEU 58 HA LEU 58 1.568 -10.982 -1.119 434 1HB LEU 58 2HB LEU 58 2.771 -9.421 -2.573 435 2HB LEU 58 1HB LEU 58 4.290 -10.158 -2.113 436 HG LEU 58 HG LEU 58 3.497 -12.297 -3.137 437 1HD1 LEU 58 1HD1 LEU 58 1.604 -12.227 -4.671 438 2HD1 LEU 58 2HD1 LEU 58 1.241 -10.585 -4.147 439 3HD1 LEU 58 3HD1 LEU 58 1.114 -11.925 -3.003 440 1HD2 LEU 58 1HD2 LEU 58 4.969 -10.791 -4.358 441 2HD2 LEU 58 2HD2 LEU 58 3.571 -9.904 -4.967 442 3HD2 LEU 58 3HD2 LEU 58 3.835 -11.582 -5.452 443 H TYR 59 H TYR 59 4.316 -11.159 0.933 444 HA TYR 59 HA TYR 59 4.810 -13.875 0.116 445 1HB TYR 59 2HB TYR 59 6.458 -12.020 1.842 446 2HB TYR 59 1HB TYR 59 6.827 -13.727 1.651 447 HD1 TYR 59 1HD TYR 59 8.011 -14.494 -0.206 448 HD2 TYR 59 2HD TYR 59 6.486 -10.539 -0.232 449 HE1 TYR 59 1HE TYR 59 9.271 -14.032 -2.253 450 HE2 TYR 59 2HE TYR 59 7.744 -10.057 -2.278 451 HH TYR 59 HH TYR 59 9.592 -10.841 -3.541 452 H THR 60 H THR 60 2.827 -14.700 1.089 453 HA THR 60 HA THR 60 2.940 -15.020 3.863 454 HB THR 60 HB THR 60 1.811 -12.840 3.724 455 HG1 THR 60 1HG THR 60 -0.467 -13.892 4.309 456 1HG2 THR 60 1HG2 THR 60 -0.347 -12.570 2.541 457 2HG2 THR 60 2HG2 THR 60 -0.161 -14.190 1.870 458 3HG2 THR 60 3HG2 THR 60 0.980 -12.921 1.430 Start of MODEL 20 1 1H LYS 1 1HT LYS 1 -3.450 -16.275 10.471 2 2H LYS 1 2HT LYS 1 -3.871 -17.189 9.117 3 3H LYS 1 3HT LYS 1 -5.071 -16.436 10.011 4 HA LYS 1 HA LYS 1 -4.296 -14.278 9.397 5 1HB LYS 1 2HB LYS 1 -2.097 -15.816 8.117 6 2HB LYS 1 1HB LYS 1 -2.623 -14.284 7.422 7 1HG LYS 1 2HG LYS 1 -1.627 -14.734 10.233 8 2HG LYS 1 1HG LYS 1 -0.784 -13.885 8.928 9 1HD LYS 1 2HD LYS 1 -2.587 -12.222 8.844 10 2HD LYS 1 1HD LYS 1 -3.426 -13.062 10.147 11 1HE LYS 1 2HE LYS 1 -1.452 -12.627 11.600 12 2HE LYS 1 1HE LYS 1 -0.758 -11.669 10.291 13 1HZ LYS 1 1HZ LYS 1 -2.747 -10.227 10.405 14 2HZ LYS 1 2HZ LYS 1 -1.887 -10.222 11.845 15 3HZ LYS 1 3HZ LYS 1 -3.315 -11.113 11.709 16 H ASP 2 H ASP 2 -5.891 -13.661 8.514 17 HA ASP 2 HA ASP 2 -6.658 -14.562 5.818 18 1HB ASP 2 2HB ASP 2 -8.291 -15.381 7.455 19 2HB ASP 2 1HB ASP 2 -8.454 -13.760 8.119 20 H ARG 3 H ARG 3 -5.840 -12.829 4.734 21 HA ARG 3 HA ARG 3 -5.402 -10.802 3.987 22 1HB ARG 3 2HB ARG 3 -7.571 -9.870 5.886 23 2HB ARG 3 1HB ARG 3 -6.617 -8.731 4.954 24 1HG ARG 3 2HG ARG 3 -8.530 -8.975 3.697 25 2HG ARG 3 1HG ARG 3 -7.402 -10.079 2.917 26 1HD ARG 3 2HD ARG 3 -9.552 -11.130 3.092 27 2HD ARG 3 1HD ARG 3 -8.432 -11.936 4.190 28 HE ARG 3 HE ARG 3 -9.717 -11.332 5.915 29 1HH1 ARG 3 1HH1 ARG 3 -10.724 -9.338 3.124 30 2HH1 ARG 3 2HH1 ARG 3 -11.909 -8.471 3.966 31 1HH2 ARG 3 1HH2 ARG 3 -11.379 -10.131 7.084 32 2HH2 ARG 3 2HH2 ARG 3 -12.314 -8.964 6.265 33 HA PRO 4 HA PRO 4 -1.891 -9.952 6.262 34 1HB PRO 4 2HB PRO 4 -2.056 -7.282 4.896 35 2HB PRO 4 1HB PRO 4 -0.668 -8.375 5.044 36 1HG PRO 4 2HG PRO 4 -2.031 -8.256 2.794 37 2HG PRO 4 1HG PRO 4 -1.521 -9.837 3.437 38 1HD PRO 4 2HD PRO 4 -4.223 -8.554 3.489 39 2HD PRO 4 1HD PRO 4 -3.789 -10.254 3.236 40 H SER 5 H SER 5 -1.249 -9.069 8.078 41 HA SER 5 HA SER 5 -2.642 -7.844 9.843 42 1HB SER 5 2HB SER 5 0.260 -7.189 9.430 43 2HB SER 5 1HB SER 5 -0.609 -7.100 10.966 44 HG SER 5 HG SER 5 0.378 -9.033 10.904 45 H LEU 6 H LEU 6 -0.472 -6.201 7.587 46 HA LEU 6 HA LEU 6 -1.874 -3.764 8.254 47 1HB LEU 6 2HB LEU 6 0.141 -2.459 7.463 48 2HB LEU 6 1HB LEU 6 0.243 -3.318 8.976 49 HG LEU 6 HG LEU 6 1.537 -5.105 7.737 50 1HD1 LEU 6 1HD1 LEU 6 0.869 -4.554 5.487 51 2HD1 LEU 6 2HD1 LEU 6 2.622 -4.417 5.667 52 3HD1 LEU 6 3HD1 LEU 6 1.619 -2.965 5.637 53 1HD2 LEU 6 1HD2 LEU 6 2.581 -3.484 9.206 54 2HD2 LEU 6 2HD2 LEU 6 2.680 -2.325 7.880 55 3HD2 LEU 6 3HD2 LEU 6 3.612 -3.823 7.818 56 H CYS 7 H CYS 7 -1.819 -5.863 5.913 57 HA CYS 7 HA CYS 7 -2.793 -3.752 4.204 58 1HB CYS 7 2HB CYS 7 -1.299 -6.147 3.127 59 2HB CYS 7 1HB CYS 7 -2.326 -5.161 2.088 60 H ASP 8 H ASP 8 -4.196 -5.060 6.021 61 HA ASP 8 HA ASP 8 -6.637 -5.539 4.428 62 1HB ASP 8 2HB ASP 8 -6.144 -6.996 6.457 63 2HB ASP 8 1HB ASP 8 -6.174 -5.550 7.451 64 H LEU 9 H LEU 9 -5.186 -3.136 4.266 65 HA LEU 9 HA LEU 9 -5.421 -1.267 6.326 66 1HB LEU 9 2HB LEU 9 -4.050 0.023 4.922 67 2HB LEU 9 1HB LEU 9 -3.487 -1.625 4.758 68 HG LEU 9 HG LEU 9 -5.367 -0.402 2.717 69 1HD1 LEU 9 1HD1 LEU 9 -3.453 1.043 2.824 70 2HD1 LEU 9 2HD1 LEU 9 -3.446 0.106 1.331 71 3HD1 LEU 9 3HD1 LEU 9 -2.376 -0.340 2.661 72 1HD2 LEU 9 1HD2 LEU 9 -4.421 -2.066 1.208 73 2HD2 LEU 9 2HD2 LEU 9 -5.106 -2.839 2.637 74 3HD2 LEU 9 3HD2 LEU 9 -3.361 -2.640 2.491 75 HA PRO 10 HA PRO 10 -8.661 0.831 4.215 76 1HB PRO 10 2HB PRO 10 -7.639 3.354 5.310 77 2HB PRO 10 1HB PRO 10 -9.178 2.552 5.634 78 1HG PRO 10 2HG PRO 10 -7.178 2.714 7.466 79 2HG PRO 10 1HG PRO 10 -8.342 1.376 7.412 80 1HD PRO 10 2HD PRO 10 -5.536 1.491 6.397 81 2HD PRO 10 1HD PRO 10 -6.392 0.163 7.214 82 H ALA 11 H ALA 11 -8.167 0.808 2.132 83 HA ALA 11 HA ALA 11 -5.722 2.155 0.906 84 1HB ALA 11 1HB ALA 11 -8.317 0.989 -0.280 85 2HB ALA 11 2HB ALA 11 -6.743 0.192 -0.366 86 3HB ALA 11 3HB ALA 11 -7.015 1.698 -1.237 87 H ASP 12 H ASP 12 -5.700 3.908 1.721 88 HA ASP 12 HA ASP 12 -7.870 5.789 1.138 89 1HB ASP 12 2HB ASP 12 -8.056 5.296 3.537 90 2HB ASP 12 1HB ASP 12 -6.357 5.699 3.753 91 H SER 13 H SER 13 -7.582 7.706 0.410 92 HA SER 13 HA SER 13 -4.895 8.093 -0.769 93 1HB SER 13 2HB SER 13 -6.082 9.601 -2.261 94 2HB SER 13 1HB SER 13 -6.805 7.991 -2.295 95 HG SER 13 HG SER 13 -7.762 10.383 -1.404 96 H GLY 14 H GLY 14 -6.798 9.471 1.708 97 1HA GLY 14 2HA GLY 14 -5.796 10.853 3.301 98 2HA GLY 14 1HA GLY 14 -4.539 11.234 2.141 99 H SER 15 H SER 15 -5.401 13.269 3.529 100 HA SER 15 HA SER 15 -7.590 14.619 2.081 101 1HB SER 15 2HB SER 15 -6.825 14.841 4.994 102 2HB SER 15 1HB SER 15 -8.144 15.679 4.185 103 HG SER 15 HG SER 15 -8.646 13.274 3.593 104 H GLY 16 H GLY 16 -4.545 14.635 1.710 105 1HA GLY 16 2HA GLY 16 -3.637 16.989 3.079 106 2HA GLY 16 1HA GLY 16 -2.688 15.877 2.123 107 H THR 17 H THR 17 -2.107 18.175 1.897 108 HA THR 17 HA THR 17 -3.303 19.550 -0.527 109 HB THR 17 HB THR 17 -2.946 20.877 1.653 110 HG1 THR 17 1HG THR 17 -1.872 22.604 0.477 111 1HG2 THR 17 1HG2 THR 17 -0.657 21.656 2.093 112 2HG2 THR 17 2HG2 THR 17 -0.048 20.578 0.837 113 3HG2 THR 17 3HG2 THR 17 -0.780 19.906 2.296 114 H LYS 18 H LYS 18 -0.792 17.347 0.115 115 HA LYS 18 HA LYS 18 1.211 18.402 -1.775 116 1HB LYS 18 2HB LYS 18 1.809 17.923 0.612 117 2HB LYS 18 1HB LYS 18 1.054 16.356 0.466 118 1HG LYS 18 2HG LYS 18 2.764 15.818 -1.308 119 2HG LYS 18 1HG LYS 18 3.569 17.327 -0.873 120 1HD LYS 18 2HD LYS 18 3.883 16.559 1.394 121 2HD LYS 18 1HD LYS 18 2.947 15.097 1.063 122 1HE LYS 18 2HE LYS 18 4.644 14.449 -0.614 123 2HE LYS 18 1HE LYS 18 5.589 15.868 -0.168 124 1HZ LYS 18 1HZ LYS 18 5.943 14.986 2.011 125 2HZ LYS 18 2HZ LYS 18 6.299 13.747 0.922 126 3HZ LYS 18 3HZ LYS 18 4.856 13.725 1.776 127 H ALA 19 H ALA 19 1.956 16.879 -3.172 128 HA ALA 19 HA ALA 19 0.267 14.483 -3.669 129 1HB ALA 19 1HB ALA 19 0.153 16.119 -5.525 130 2HB ALA 19 2HB ALA 19 0.967 14.632 -6.001 131 3HB ALA 19 3HB ALA 19 1.910 16.079 -5.641 132 H GLU 20 H GLU 20 1.221 12.659 -3.289 133 HA GLU 20 HA GLU 20 4.112 12.620 -3.313 134 1HB GLU 20 2HB GLU 20 3.431 13.186 -1.066 135 2HB GLU 20 1HB GLU 20 2.345 11.805 -1.017 136 1HG GLU 20 2HG GLU 20 4.274 11.305 0.247 137 2HG GLU 20 1HG GLU 20 4.305 10.334 -1.221 138 H LYS 21 H LYS 21 4.860 10.665 -4.094 139 HA LYS 21 HA LYS 21 2.896 8.733 -5.118 140 1HB LYS 21 2HB LYS 21 4.540 9.905 -6.663 141 2HB LYS 21 1HB LYS 21 5.835 9.284 -5.677 142 1HG LYS 21 2HG LYS 21 3.923 7.479 -7.163 143 2HG LYS 21 1HG LYS 21 5.360 8.153 -7.918 144 1HD LYS 21 2HD LYS 21 6.712 7.054 -6.093 145 2HD LYS 21 1HD LYS 21 5.226 6.265 -5.561 146 1HE LYS 21 2HE LYS 21 6.504 4.762 -6.991 147 2HE LYS 21 1HE LYS 21 5.001 5.228 -7.788 148 1HZ LYS 21 1HZ LYS 21 7.669 6.427 -8.323 149 2HZ LYS 21 2HZ LYS 21 6.245 6.836 -9.123 150 3HZ LYS 21 3HZ LYS 21 6.902 5.311 -9.325 151 H ARG 22 H ARG 22 2.327 7.312 -3.569 152 HA ARG 22 HA ARG 22 4.637 6.182 -2.429 153 1HB ARG 22 2HB ARG 22 1.881 6.604 -1.342 154 2HB ARG 22 1HB ARG 22 3.086 5.611 -0.534 155 1HG ARG 22 2HG ARG 22 3.488 8.506 -1.266 156 2HG ARG 22 1HG ARG 22 2.928 7.942 0.309 157 1HD ARG 22 2HD ARG 22 4.984 6.782 0.698 158 2HD ARG 22 1HD ARG 22 5.526 7.079 -0.957 159 HE ARG 22 HE ARG 22 5.661 9.414 -0.403 160 1HH1 ARG 22 1HH1 ARG 22 5.380 7.307 2.453 161 2HH1 ARG 22 2HH1 ARG 22 6.195 8.394 3.481 162 1HH2 ARG 22 1HH2 ARG 22 6.732 10.909 1.026 163 2HH2 ARG 22 2HH2 ARG 22 7.021 10.482 2.629 164 H ILE 23 H ILE 23 3.575 3.652 -1.508 165 HA ILE 23 HA ILE 23 1.743 2.806 -3.597 166 HB ILE 23 HB ILE 23 4.051 2.217 -4.399 167 1HG1 ILE 23 2HG1 ILE 23 2.529 -0.257 -3.586 168 2HG1 ILE 23 1HG1 ILE 23 2.126 0.756 -4.972 169 1HG2 ILE 23 1HG2 ILE 23 4.191 0.518 -1.933 170 2HG2 ILE 23 2HG2 ILE 23 5.210 1.928 -2.285 171 3HG2 ILE 23 3HG2 ILE 23 5.325 0.457 -3.268 172 1HD1 ILE 23 1HD1 ILE 23 3.368 -1.225 -5.650 173 2HD1 ILE 23 2HD1 ILE 23 4.697 -0.765 -4.584 174 3HD1 ILE 23 3HD1 ILE 23 4.290 0.246 -5.975 175 H TYR 24 H TYR 24 0.376 1.064 -2.927 176 HA TYR 24 HA TYR 24 0.910 -0.096 -0.382 177 1HB TYR 24 2HB TYR 24 -1.339 0.313 0.563 178 2HB TYR 24 1HB TYR 24 -0.448 1.792 0.351 179 HD1 TYR 24 1HD TYR 24 -2.540 2.978 0.733 180 HD2 TYR 24 2HD TYR 24 -2.149 0.382 -2.612 181 HE1 TYR 24 1HE TYR 24 -4.541 3.974 -0.261 182 HE2 TYR 24 2HE TYR 24 -4.155 1.386 -3.621 183 HH TYR 24 HH TYR 24 -5.540 4.268 -2.547 184 H TYR 25 H TYR 25 -1.012 -1.885 0.044 185 HA TYR 25 HA TYR 25 -0.671 -3.423 -2.175 186 1HB TYR 25 2HB TYR 25 -0.365 -4.113 0.054 187 2HB TYR 25 1HB TYR 25 -2.048 -3.814 0.431 188 HD1 TYR 25 1HD TYR 25 0.109 -5.844 -1.815 189 HD2 TYR 25 2HD TYR 25 -3.526 -5.600 0.372 190 HE1 TYR 25 1HE TYR 25 -0.312 -8.220 -2.258 191 HE2 TYR 25 2HE TYR 25 -3.962 -7.971 -0.078 192 HH TYR 25 HH TYR 25 -1.557 -10.038 -1.273 193 H ASN 26 H ASN 26 -2.368 -4.035 -3.620 194 HA ASN 26 HA ASN 26 -5.126 -3.188 -3.062 195 1HB ASN 26 2HB ASN 26 -4.168 -2.465 -5.257 196 2HB ASN 26 1HB ASN 26 -3.858 -4.155 -5.643 197 1HD2 ASN 26 1HD2 ASN 26 -6.293 -1.680 -5.313 198 2HD2 ASN 26 2HD2 ASN 26 -7.561 -2.581 -6.041 199 H SER 27 H SER 27 -6.425 -4.510 -2.590 200 HA SER 27 HA SER 27 -5.407 -6.984 -1.863 201 1HB SER 27 2HB SER 27 -8.266 -6.112 -1.429 202 2HB SER 27 1HB SER 27 -7.524 -7.522 -0.670 203 HG SER 27 HG SER 27 -6.485 -6.309 0.643 204 H ALA 28 H ALA 28 -7.771 -6.053 -4.263 205 HA ALA 28 HA ALA 28 -8.858 -8.637 -4.754 206 1HB ALA 28 1HB ALA 28 -9.948 -7.544 -6.658 207 2HB ALA 28 2HB ALA 28 -8.963 -6.108 -6.383 208 3HB ALA 28 3HB ALA 28 -10.131 -6.622 -5.164 209 H ARG 29 H ARG 29 -6.562 -6.556 -6.218 210 HA ARG 29 HA ARG 29 -5.836 -8.427 -8.358 211 1HB ARG 29 2HB ARG 29 -4.627 -5.783 -7.609 212 2HB ARG 29 1HB ARG 29 -3.817 -6.853 -8.726 213 1HG ARG 29 2HG ARG 29 -4.993 -5.131 -9.911 214 2HG ARG 29 1HG ARG 29 -5.746 -6.687 -10.242 215 1HD ARG 29 2HD ARG 29 -7.641 -6.152 -9.046 216 2HD ARG 29 1HD ARG 29 -6.807 -4.932 -8.075 217 HE ARG 29 HE ARG 29 -6.638 -4.049 -10.629 218 1HH1 ARG 29 1HH1 ARG 29 -9.419 -5.056 -8.750 219 2HH1 ARG 29 2HH1 ARG 29 -10.391 -3.698 -9.103 220 1HH2 ARG 29 1HH2 ARG 29 -7.976 -2.244 -11.276 221 2HH2 ARG 29 2HH2 ARG 29 -9.529 -2.047 -10.625 222 H LYS 30 H LYS 30 -5.074 -8.154 -5.184 223 HA LYS 30 HA LYS 30 -3.380 -8.721 -3.759 224 1HB LYS 30 2HB LYS 30 -4.172 -10.959 -4.460 225 2HB LYS 30 1HB LYS 30 -3.086 -10.933 -5.835 226 1HG LYS 30 2HG LYS 30 -1.167 -11.071 -4.350 227 2HG LYS 30 1HG LYS 30 -2.229 -10.990 -2.944 228 1HD LYS 30 2HD LYS 30 -3.198 -13.108 -3.486 229 2HD LYS 30 1HD LYS 30 -2.357 -13.152 -5.038 230 1HE LYS 30 2HE LYS 30 -0.221 -13.275 -3.915 231 2HE LYS 30 1HE LYS 30 -1.006 -13.134 -2.344 232 1HZ LYS 30 1HZ LYS 30 -0.361 -15.422 -3.068 233 2HZ LYS 30 2HZ LYS 30 -1.628 -15.363 -4.208 234 3HZ LYS 30 3HZ LYS 30 -1.946 -15.223 -2.555 235 H GLN 31 H GLN 31 -2.731 -6.912 -5.335 236 HA GLN 31 HA GLN 31 0.311 -6.936 -5.721 237 1HB GLN 31 2HB GLN 31 0.384 -6.208 -7.885 238 2HB GLN 31 1HB GLN 31 -0.911 -7.376 -7.934 239 1HG GLN 31 2HG GLN 31 -2.555 -5.570 -7.933 240 2HG GLN 31 1HG GLN 31 -1.256 -4.380 -7.836 241 1HE2 GLN 31 1HE2 GLN 31 -3.251 -4.607 -9.942 242 2HE2 GLN 31 2HE2 GLN 31 -2.392 -4.946 -11.386 243 H CYS 32 H CYS 32 1.590 -5.051 -5.433 244 HA CYS 32 HA CYS 32 0.206 -3.308 -3.868 245 1HB CYS 32 2HB CYS 32 3.031 -3.634 -4.817 246 2HB CYS 32 1HB CYS 32 2.516 -2.324 -3.767 247 H LEU 33 H LEU 33 -0.243 -1.118 -4.653 248 HA LEU 33 HA LEU 33 0.800 -0.193 -7.212 249 1HB LEU 33 2HB LEU 33 -1.435 0.301 -8.083 250 2HB LEU 33 1HB LEU 33 -1.103 -1.411 -8.007 251 HG LEU 33 HG LEU 33 -2.559 -1.479 -5.925 252 1HD1 LEU 33 1HD1 LEU 33 -2.545 0.899 -5.361 253 2HD1 LEU 33 2HD1 LEU 33 -4.187 0.308 -5.630 254 3HD1 LEU 33 3HD1 LEU 33 -3.383 1.267 -6.870 255 1HD2 LEU 33 1HD2 LEU 33 -4.621 -1.487 -7.232 256 2HD2 LEU 33 2HD2 LEU 33 -3.296 -2.270 -8.091 257 3HD2 LEU 33 3HD2 LEU 33 -3.793 -0.636 -8.537 258 H ARG 34 H ARG 34 0.680 1.703 -7.668 259 HA ARG 34 HA ARG 34 1.103 3.433 -5.458 260 1HB ARG 34 2HB ARG 34 2.525 3.379 -7.475 261 2HB ARG 34 1HB ARG 34 1.178 3.867 -8.459 262 1HG ARG 34 2HG ARG 34 2.465 5.630 -6.363 263 2HG ARG 34 1HG ARG 34 2.947 5.601 -8.048 264 1HD ARG 34 2HD ARG 34 0.363 6.134 -8.414 265 2HD ARG 34 1HD ARG 34 0.506 6.726 -6.754 266 HE ARG 34 HE ARG 34 2.088 7.717 -9.041 267 1HH1 ARG 34 1HH1 ARG 34 0.602 8.373 -5.871 268 2HH1 ARG 34 2HH1 ARG 34 0.935 10.046 -5.958 269 1HH2 ARG 34 1HH2 ARG 34 2.544 9.971 -9.087 270 2HH2 ARG 34 2HH2 ARG 34 2.100 10.979 -7.803 271 H PHE 35 H PHE 35 0.034 5.051 -4.908 272 HA PHE 35 HA PHE 35 -2.379 5.299 -6.117 273 1HB PHE 35 2HB PHE 35 -3.647 5.825 -3.889 274 2HB PHE 35 1HB PHE 35 -2.993 4.221 -4.095 275 HD1 PHE 35 1HD PHE 35 -3.444 6.788 -1.861 276 HD2 PHE 35 2HD PHE 35 -0.438 4.047 -3.116 277 HE1 PHE 35 1HE PHE 35 -2.346 6.991 0.318 278 HE2 PHE 35 2HE PHE 35 0.664 4.256 -0.934 279 HZ PHE 35 HZ PHE 35 -0.294 5.723 0.790 280 H ASP 36 H ASP 36 -3.285 8.009 -5.165 281 HA ASP 36 HA ASP 36 -0.840 9.459 -5.107 282 1HB ASP 36 2HB ASP 36 -3.615 10.198 -5.985 283 2HB ASP 36 1HB ASP 36 -2.458 11.461 -5.599 284 H TYR 37 H TYR 37 -0.392 9.210 -3.011 285 HA TYR 37 HA TYR 37 -2.209 9.853 -0.856 286 1HB TYR 37 2HB TYR 37 -0.429 8.143 -0.727 287 2HB TYR 37 1HB TYR 37 0.776 9.360 -1.045 288 HD1 TYR 37 1HD TYR 37 -1.977 8.612 1.403 289 HD2 TYR 37 2HD TYR 37 1.888 10.297 0.819 290 HE1 TYR 37 1HE TYR 37 -1.779 8.973 3.828 291 HE2 TYR 37 2HE TYR 37 2.093 10.666 3.240 292 HH TYR 37 HH TYR 37 0.751 10.869 5.233 293 H THR 38 H THR 38 -2.495 11.944 -0.008 294 HA THR 38 HA THR 38 -1.024 13.862 -1.441 295 HB THR 38 HB THR 38 -2.934 15.303 -0.450 296 HG1 THR 38 1HG THR 38 -4.451 13.028 -0.331 297 1HG2 THR 38 1HG2 THR 38 -4.453 14.474 -2.206 298 2HG2 THR 38 2HG2 THR 38 -3.473 13.015 -2.358 299 3HG2 THR 38 3HG2 THR 38 -2.793 14.582 -2.794 300 H GLY 39 H GLY 39 0.306 12.668 0.703 301 1HA GLY 39 2HA GLY 39 1.638 13.120 2.467 302 2HA GLY 39 1HA GLY 39 1.365 14.785 2.045 303 H GLN 40 H GLN 40 -1.690 14.330 3.080 304 HA GLN 40 HA GLN 40 -0.851 14.323 5.868 305 1HB GLN 40 2HB GLN 40 -1.033 16.666 5.026 306 2HB GLN 40 1HB GLN 40 -2.712 16.360 4.613 307 1HG GLN 40 2HG GLN 40 -2.684 17.536 6.671 308 2HG GLN 40 1HG GLN 40 -3.124 15.860 7.023 309 1HE2 GLN 40 1HE2 GLN 40 -2.401 16.019 9.151 310 2HE2 GLN 40 2HE2 GLN 40 -0.723 16.051 9.551 311 H GLY 41 H GLY 41 -2.471 12.973 7.095 312 1HA GLY 41 2HA GLY 41 -4.688 12.600 7.588 313 2HA GLY 41 1HA GLY 41 -5.135 13.432 6.112 314 H GLY 42 H GLY 42 -3.083 10.599 6.579 315 1HA GLY 42 2HA GLY 42 -4.844 9.249 4.681 316 2HA GLY 42 1HA GLY 42 -3.093 9.087 4.690 317 H ASN 43 H ASN 43 -3.083 6.872 4.969 318 HA ASN 43 HA ASN 43 -4.285 5.622 7.330 319 1HB ASN 43 2HB ASN 43 -4.201 3.718 5.911 320 2HB ASN 43 1HB ASN 43 -5.075 4.948 5.013 321 1HD2 ASN 43 1HD2 ASN 43 -3.647 2.600 4.081 322 2HD2 ASN 43 2HD2 ASN 43 -2.414 3.165 2.996 323 H GLU 44 H GLU 44 -3.100 3.967 8.014 324 HA GLU 44 HA GLU 44 -0.373 4.672 8.872 325 1HB GLU 44 2HB GLU 44 -2.051 2.233 9.347 326 2HB GLU 44 1HB GLU 44 -0.624 2.750 10.233 327 1HG GLU 44 2HG GLU 44 -3.312 4.105 10.175 328 2HG GLU 44 1HG GLU 44 -2.586 3.230 11.522 329 H ASN 45 H ASN 45 -1.751 2.669 6.435 330 HA ASN 45 HA ASN 45 0.713 1.212 6.146 331 1HB ASN 45 2HB ASN 45 -1.451 0.130 5.701 332 2HB ASN 45 1HB ASN 45 -1.761 1.281 4.407 333 1HD2 ASN 45 1HD2 ASN 45 -0.134 -1.541 5.338 334 2HD2 ASN 45 2HD2 ASN 45 0.546 -1.929 3.793 335 H ASN 46 H ASN 46 2.213 3.643 5.294 336 HA ASN 46 HA ASN 46 1.573 3.511 2.679 337 1HB ASN 46 2HB ASN 46 1.299 5.478 4.136 338 2HB ASN 46 1HB ASN 46 2.995 5.369 4.581 339 1HD2 ASN 46 1HD2 ASN 46 0.722 6.222 2.202 340 2HD2 ASN 46 2HD2 ASN 46 1.813 7.048 1.142 341 H PHE 47 H PHE 47 3.067 2.788 1.240 342 HA PHE 47 HA PHE 47 5.622 2.194 2.347 343 1HB PHE 47 2HB PHE 47 4.359 1.095 -0.152 344 2HB PHE 47 1HB PHE 47 5.936 0.623 0.480 345 HD1 PHE 47 1HD PHE 47 2.616 -0.252 0.354 346 HD2 PHE 47 2HD PHE 47 5.849 0.028 3.077 347 HE1 PHE 47 1HE PHE 47 1.511 -1.870 1.826 348 HE2 PHE 47 2HE PHE 47 4.759 -1.591 4.554 349 HZ PHE 47 HZ PHE 47 2.580 -2.541 3.921 350 H ARG 48 H ARG 48 7.366 3.145 1.414 351 HA ARG 48 HA ARG 48 7.117 5.150 -0.810 352 1HB ARG 48 2HB ARG 48 7.935 5.904 1.430 353 2HB ARG 48 1HB ARG 48 9.285 4.802 1.241 354 1HG ARG 48 2HG ARG 48 9.909 7.099 0.688 355 2HG ARG 48 1HG ARG 48 10.056 6.041 -0.708 356 1HD ARG 48 2HD ARG 48 8.047 6.966 -1.709 357 2HD ARG 48 1HD ARG 48 7.637 7.837 -0.243 358 HE ARG 48 HE ARG 48 10.094 8.725 -0.892 359 1HH1 ARG 48 1HH1 ARG 48 7.110 8.552 -2.872 360 2HH1 ARG 48 2HH1 ARG 48 7.298 10.116 -3.500 361 1HH2 ARG 48 1HH2 ARG 48 10.292 10.904 -1.802 362 2HH2 ARG 48 2HH2 ARG 48 9.130 11.482 -2.888 363 H ARG 49 H ARG 49 8.251 1.855 -0.221 364 HA ARG 49 HA ARG 49 9.655 2.130 -2.672 365 1HB ARG 49 2HB ARG 49 11.313 2.197 -0.902 366 2HB ARG 49 1HB ARG 49 10.617 0.787 -0.133 367 1HG ARG 49 2HG ARG 49 11.406 -0.644 -1.865 368 2HG ARG 49 1HG ARG 49 11.880 0.736 -2.859 369 1HD ARG 49 2HD ARG 49 13.828 -0.270 -1.802 370 2HD ARG 49 1HD ARG 49 13.562 1.358 -1.192 371 HE ARG 49 HE ARG 49 12.708 -1.029 0.305 372 1HH1 ARG 49 1HH1 ARG 49 14.434 2.089 0.211 373 2HH1 ARG 49 2HH1 ARG 49 14.888 2.027 1.850 374 1HH2 ARG 49 1HH2 ARG 49 13.336 -1.074 2.559 375 2HH2 ARG 49 2HH2 ARG 49 14.283 0.192 3.196 376 H THR 50 H THR 50 9.256 0.366 -4.012 377 HA THR 50 HA THR 50 6.902 -1.017 -3.910 378 HB THR 50 HB THR 50 9.286 -1.834 -5.557 379 HG1 THR 50 1HG THR 50 7.488 0.257 -6.265 380 1HG2 THR 50 1HG2 THR 50 7.204 -3.154 -5.817 381 2HG2 THR 50 2HG2 THR 50 7.555 -2.220 -7.269 382 3HG2 THR 50 3HG2 THR 50 6.312 -1.668 -6.144 383 H TYR 51 H TYR 51 10.185 -2.434 -3.522 384 HA TYR 51 HA TYR 51 9.353 -5.048 -3.003 385 1HB TYR 51 2HB TYR 51 11.650 -4.664 -3.582 386 2HB TYR 51 1HB TYR 51 11.895 -3.611 -2.189 387 HD1 TYR 51 1HD TYR 51 13.017 -4.512 -0.402 388 HD2 TYR 51 2HD TYR 51 10.834 -7.122 -2.946 389 HE1 TYR 51 1HE TYR 51 13.776 -6.422 0.926 390 HE2 TYR 51 2HE TYR 51 11.597 -9.048 -1.626 391 HH TYR 51 HH TYR 51 13.330 -9.651 -0.112 392 H ASP 52 H ASP 52 9.652 -2.308 -0.899 393 HA ASP 52 HA ASP 52 9.508 -3.813 1.536 394 1HB ASP 52 2HB ASP 52 10.238 -1.443 1.492 395 2HB ASP 52 1HB ASP 52 8.610 -0.964 1.029 396 H CYS 53 H CYS 53 7.044 -2.345 -0.435 397 HA CYS 53 HA CYS 53 4.713 -3.188 0.987 398 1HB CYS 53 2HB CYS 53 4.694 -1.646 -0.956 399 2HB CYS 53 1HB CYS 53 4.994 -3.024 -2.012 400 H GLN 54 H GLN 54 6.248 -4.505 -1.503 401 HA GLN 54 HA GLN 54 5.112 -7.135 -1.909 402 1HB GLN 54 2HB GLN 54 6.538 -6.331 -3.564 403 2HB GLN 54 1HB GLN 54 7.986 -6.484 -2.528 404 1HG GLN 54 2HG GLN 54 7.471 -8.967 -2.553 405 2HG GLN 54 1HG GLN 54 6.270 -8.619 -3.800 406 1HE2 GLN 54 1HE2 GLN 54 9.607 -8.947 -3.081 407 2HE2 GLN 54 2HE2 GLN 54 10.200 -8.705 -4.676 408 H ARG 55 H ARG 55 7.787 -6.367 0.030 409 HA ARG 55 HA ARG 55 8.181 -9.012 1.030 410 1HB ARG 55 2HB ARG 55 9.996 -7.372 0.973 411 2HB ARG 55 1HB ARG 55 9.122 -6.346 2.092 412 1HG ARG 55 2HG ARG 55 9.430 -7.908 3.864 413 2HG ARG 55 1HG ARG 55 10.106 -9.108 2.753 414 1HD ARG 55 2HD ARG 55 11.965 -7.654 2.262 415 2HD ARG 55 1HD ARG 55 11.285 -6.386 3.262 416 HE ARG 55 HE ARG 55 11.573 -7.897 5.166 417 1HH1 ARG 55 1HH1 ARG 55 13.512 -8.625 2.258 418 2HH1 ARG 55 2HH1 ARG 55 14.858 -9.177 3.132 419 1HH2 ARG 55 1HH2 ARG 55 13.468 -8.650 6.363 420 2HH2 ARG 55 2HH2 ARG 55 14.860 -9.152 5.525 421 H THR 56 H THR 56 6.377 -6.074 2.432 422 HA THR 56 HA THR 56 5.822 -7.853 4.430 423 HB THR 56 HB THR 56 6.104 -5.583 5.036 424 HG1 THR 56 1HG THR 56 4.697 -6.862 6.258 425 1HG2 THR 56 1HG2 THR 56 3.602 -5.008 3.468 426 2HG2 THR 56 2HG2 THR 56 5.237 -4.511 3.045 427 3HG2 THR 56 3HG2 THR 56 4.462 -3.856 4.488 428 H CYS 57 H CYS 57 3.769 -6.771 1.710 429 HA CYS 57 HA CYS 57 1.457 -8.090 2.900 430 1HB CYS 57 2HB CYS 57 1.468 -6.147 0.578 431 2HB CYS 57 1HB CYS 57 0.089 -6.722 1.515 432 H LEU 58 H LEU 58 3.677 -8.513 0.437 433 HA LEU 58 HA LEU 58 1.893 -10.323 -0.992 434 1HB LEU 58 2HB LEU 58 3.075 -8.544 -2.252 435 2HB LEU 58 1HB LEU 58 4.604 -9.228 -1.779 436 HG LEU 58 HG LEU 58 3.894 -9.613 -4.164 437 1HD1 LEU 58 1HD1 LEU 58 4.425 -12.085 -2.548 438 2HD1 LEU 58 2HD1 LEU 58 5.626 -10.991 -3.238 439 3HD1 LEU 58 3HD1 LEU 58 4.584 -11.940 -4.299 440 1HD2 LEU 58 1HD2 LEU 58 1.533 -9.999 -3.796 441 2HD2 LEU 58 2HD2 LEU 58 1.895 -11.480 -2.903 442 3HD2 LEU 58 3HD2 LEU 58 2.264 -11.372 -4.627 443 H TYR 59 H TYR 59 4.579 -10.364 1.200 444 HA TYR 59 HA TYR 59 4.976 -13.162 0.593 445 1HB TYR 59 2HB TYR 59 6.546 -11.312 2.394 446 2HB TYR 59 1HB TYR 59 6.847 -13.038 2.271 447 HD1 TYR 59 1HD TYR 59 8.861 -10.872 1.761 448 HD2 TYR 59 2HD TYR 59 6.204 -12.891 -0.865 449 HE1 TYR 59 1HE TYR 59 10.398 -10.458 -0.106 450 HE2 TYR 59 2HE TYR 59 7.726 -12.481 -2.733 451 HH TYR 59 HH TYR 59 10.866 -11.593 -2.340 452 H THR 60 H THR 60 2.998 -14.074 1.475 453 HA THR 60 HA THR 60 2.853 -14.555 4.107 454 HB THR 60 HB THR 60 2.283 -12.174 4.471 455 HG1 THR 60 1HG THR 60 -0.275 -12.952 4.846 456 1HG2 THR 60 1HG2 THR 60 0.263 -11.139 3.495 457 2HG2 THR 60 2HG2 THR 60 -0.009 -12.591 2.533 458 3HG2 THR 60 3HG2 THR 60 1.416 -11.599 2.239
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