NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473324 | 2jo6 | 15139 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -17.715 8.581 10.426 2 1HB MET 1 HB2 MET 1 -16.987 10.843 11.261 3 2HB MET 1 HB1 MET 1 -15.377 10.488 10.660 4 1HG MET 1 HG2 MET 1 -17.783 10.436 8.872 5 2HG MET 1 HG1 MET 1 -16.907 11.924 9.217 6 1HE MET 1 HE1 MET 1 -14.391 12.352 8.536 7 2HE MET 1 HE2 MET 1 -13.370 11.151 7.743 8 3HE MET 1 HE3 MET 1 -13.902 10.897 9.406 9 H SER 2 HN SER 2 -17.321 7.219 8.822 10 HA SER 2 HA SER 2 -14.563 6.686 8.014 11 1HB SER 2 HB2 SER 2 -16.489 4.423 8.580 12 2HB SER 2 HB1 SER 2 -14.787 4.306 8.158 13 HG SER 2 HG SER 2 -15.917 5.283 10.566 14 H GLN 3 HN GLN 3 -14.461 6.883 5.877 15 HA GLN 3 HA GLN 3 -16.890 6.317 4.336 16 1HB GLN 3 HB2 GLN 3 -16.049 7.793 2.594 17 2HB GLN 3 HB1 GLN 3 -16.129 8.638 4.127 18 1HG GLN 3 HG2 GLN 3 -13.629 7.548 2.843 19 2HG GLN 3 HG1 GLN 3 -14.140 9.233 2.849 20 1HE2 GLN 3 HE21 GLN 3 -13.985 10.424 4.751 21 2HE2 GLN 3 HE22 GLN 3 -13.025 9.894 6.088 22 H TRP 4 HN TRP 4 -16.570 4.105 4.205 23 HA TRP 4 HA TRP 4 -14.198 2.998 3.058 24 1HB TRP 4 HB2 TRP 4 -16.948 1.846 3.538 25 2HB TRP 4 HB1 TRP 4 -15.640 0.924 2.806 26 HD1 TRP 4 HD1 TRP 4 -16.937 2.117 6.142 27 HE1 TRP 4 HE1 TRP 4 -15.459 1.164 8.029 28 HE3 TRP 4 HE3 TRP 4 -13.119 0.251 3.301 29 HZ2 TRP 4 HZ2 TRP 4 -13.000 -0.206 8.264 30 HZ3 TRP 4 HZ3 TRP 4 -11.242 -0.864 4.432 31 HH2 TRP 4 HH2 TRP 4 -11.184 -1.087 6.862 32 H LYS 5 HN LYS 5 -13.797 3.992 1.132 33 HA LYS 5 HA LYS 5 -15.873 4.201 -0.866 34 1HB LYS 5 HB2 LYS 5 -14.206 5.985 -0.657 35 2HB LYS 5 HB1 LYS 5 -12.922 4.843 -1.035 36 1HG LYS 5 HG2 LYS 5 -13.976 4.468 -3.249 37 2HG LYS 5 HG1 LYS 5 -15.150 5.725 -2.859 38 1HD LYS 5 HD2 LYS 5 -13.335 7.353 -2.648 39 2HD LYS 5 HD1 LYS 5 -12.160 6.093 -3.031 40 1HE LYS 5 HE2 LYS 5 -14.379 7.044 -4.839 41 2HE LYS 5 HE1 LYS 5 -12.675 7.473 -4.987 42 1HZ LYS 5 HZ1 LYS 5 -13.622 4.663 -5.085 43 2HZ LYS 5 HZ2 LYS 5 -12.110 5.274 -5.554 44 3HZ LYS 5 HZ3 LYS 5 -13.490 5.630 -6.470 45 H ASP 6 HN ASP 6 -16.328 2.756 -2.357 46 HA ASP 6 HA ASP 6 -14.907 0.323 -2.677 47 1HB ASP 6 HB2 ASP 6 -16.870 1.618 -4.587 48 2HB ASP 6 HB1 ASP 6 -16.374 -0.070 -4.599 49 H ILE 7 HN ILE 7 -13.134 -0.086 -3.830 50 HA ILE 7 HA ILE 7 -12.171 1.982 -5.677 51 HB ILE 7 HB ILE 7 -10.700 -0.432 -4.603 52 1HG1 ILE 7 HG12 ILE 7 -11.226 1.100 -2.790 53 2HG1 ILE 7 HG11 ILE 7 -9.510 1.195 -3.167 54 1HG2 ILE 7 HG21 ILE 7 -9.693 1.985 -6.099 55 2HG2 ILE 7 HG22 ILE 7 -9.826 0.346 -6.737 56 3HG2 ILE 7 HG23 ILE 7 -8.692 0.695 -5.432 57 1HD1 ILE 7 HD11 ILE 7 -9.894 3.253 -4.413 58 2HD1 ILE 7 HD12 ILE 7 -10.450 3.391 -2.744 59 3HD1 ILE 7 HD13 ILE 7 -11.617 3.153 -4.046 60 H CYS 8 HN CYS 8 -12.009 -1.547 -5.546 61 HA CYS 8 HA CYS 8 -13.359 -1.954 -8.016 62 1HB CYS 8 HB2 CYS 8 -11.404 -2.890 -9.240 63 2HB CYS 8 HB1 CYS 8 -11.252 -1.158 -8.960 64 HG CYS 8 HG CYS 8 -8.722 -1.982 -8.579 65 H LYS 9 HN LYS 9 -13.021 -4.399 -8.642 66 HA LYS 9 HA LYS 9 -13.290 -5.914 -6.210 67 1HB LYS 9 HB2 LYS 9 -13.436 -6.654 -9.125 68 2HB LYS 9 HB1 LYS 9 -13.511 -7.865 -7.849 69 1HG LYS 9 HG2 LYS 9 -15.473 -6.714 -6.907 70 2HG LYS 9 HG1 LYS 9 -15.411 -5.560 -8.240 71 1HD LYS 9 HD2 LYS 9 -15.890 -7.260 -9.837 72 2HD LYS 9 HD1 LYS 9 -15.676 -8.534 -8.635 73 1HE LYS 9 HE2 LYS 9 -18.030 -8.194 -9.029 74 2HE LYS 9 HE1 LYS 9 -17.627 -7.652 -7.402 75 1HZ LYS 9 HZ1 LYS 9 -19.094 -6.088 -8.478 76 2HZ LYS 9 HZ2 LYS 9 -18.023 -5.911 -9.778 77 3HZ LYS 9 HZ3 LYS 9 -17.579 -5.362 -8.237 78 H ILE 10 HN ILE 10 -11.952 -7.544 -5.469 79 HA ILE 10 HA ILE 10 -9.210 -6.925 -5.636 80 HB ILE 10 HB ILE 10 -10.346 -7.934 -3.659 81 1HG1 ILE 10 HG12 ILE 10 -7.960 -9.517 -4.636 82 2HG1 ILE 10 HG11 ILE 10 -7.870 -7.912 -3.917 83 1HG2 ILE 10 HG21 ILE 10 -10.637 -10.370 -3.577 84 2HG2 ILE 10 HG22 ILE 10 -10.215 -10.466 -5.287 85 3HG2 ILE 10 HG23 ILE 10 -11.675 -9.614 -4.786 86 1HD1 ILE 10 HD11 ILE 10 -7.313 -9.630 -2.303 87 2HD1 ILE 10 HD12 ILE 10 -8.879 -10.399 -2.564 88 3HD1 ILE 10 HD13 ILE 10 -8.796 -8.791 -1.840 89 H ASP 11 HN ASP 11 -11.143 -8.808 -7.659 90 HA ASP 11 HA ASP 11 -9.292 -10.739 -8.577 91 1HB ASP 11 HB2 ASP 11 -11.773 -10.776 -8.972 92 2HB ASP 11 HB1 ASP 11 -11.561 -9.464 -10.125 93 H ASP 12 HN ASP 12 -9.782 -7.368 -9.248 94 HA ASP 12 HA ASP 12 -8.369 -7.262 -11.727 95 1HB ASP 12 HB2 ASP 12 -10.065 -5.576 -10.986 96 2HB ASP 12 HB1 ASP 12 -8.920 -5.015 -9.774 97 H ILE 13 HN ILE 13 -7.493 -7.045 -8.370 98 HA ILE 13 HA ILE 13 -4.778 -6.165 -8.973 99 HB ILE 13 HB ILE 13 -5.937 -6.914 -6.282 100 1HG1 ILE 13 HG12 ILE 13 -5.695 -4.166 -7.533 101 2HG1 ILE 13 HG11 ILE 13 -7.201 -5.060 -7.357 102 1HG2 ILE 13 HG21 ILE 13 -3.508 -5.296 -7.053 103 2HG2 ILE 13 HG22 ILE 13 -3.502 -6.927 -6.383 104 3HG2 ILE 13 HG23 ILE 13 -4.078 -5.576 -5.407 105 1HD1 ILE 13 HD11 ILE 13 -5.450 -4.109 -5.101 106 2HD1 ILE 13 HD12 ILE 13 -6.973 -4.983 -4.936 107 3HD1 ILE 13 HD13 ILE 13 -6.957 -3.364 -5.634 108 H LEU 14 HN LEU 14 -3.495 -7.664 -9.741 109 HA LEU 14 HA LEU 14 -3.836 -10.437 -9.493 110 1HB LEU 14 HB2 LEU 14 -1.304 -8.921 -10.136 111 2HB LEU 14 HB1 LEU 14 -1.630 -10.601 -10.513 112 HG LEU 14 HG LEU 14 -3.137 -8.256 -11.673 113 1HD1 LEU 14 HD11 LEU 14 -1.002 -10.000 -12.891 114 2HD1 LEU 14 HD12 LEU 14 -0.828 -8.303 -12.444 115 3HD1 LEU 14 HD13 LEU 14 -1.934 -8.766 -13.738 116 1HD2 LEU 14 HD21 LEU 14 -4.061 -9.916 -13.210 117 2HD2 LEU 14 HD22 LEU 14 -4.474 -10.293 -11.538 118 3HD2 LEU 14 HD23 LEU 14 -3.197 -11.194 -12.356 119 HA PRO 15 HA PRO 15 -2.000 -11.769 -5.673 120 1HB PRO 15 HB2 PRO 15 -0.119 -13.370 -7.350 121 2HB PRO 15 HB1 PRO 15 -1.122 -13.880 -5.987 122 1HG PRO 15 HG2 PRO 15 -1.840 -14.484 -8.466 123 2HG PRO 15 HG1 PRO 15 -3.055 -13.978 -7.277 124 1HD PRO 15 HD2 PRO 15 -1.858 -12.439 -9.539 125 2HD PRO 15 HD1 PRO 15 -3.516 -12.411 -8.906 126 H GLU 16 HN GLU 16 -0.490 -10.993 -4.374 127 HA GLU 16 HA GLU 16 0.856 -9.278 -3.775 128 1HB GLU 16 HB2 GLU 16 3.311 -9.865 -4.186 129 2HB GLU 16 HB1 GLU 16 2.326 -10.950 -3.228 130 1HG GLU 16 HG2 GLU 16 2.763 -11.440 -6.141 131 2HG GLU 16 HG1 GLU 16 3.958 -11.917 -4.941 132 H THR 17 HN THR 17 -0.226 -7.842 -5.272 133 HA THR 17 HA THR 17 1.774 -6.481 -6.932 134 HB THR 17 HB THR 17 -1.087 -6.633 -7.868 135 HG1 THR 17 HG1 THR 17 -0.585 -8.738 -8.023 136 1HG2 THR 17 HG21 THR 17 -0.072 -6.118 -10.048 137 2HG2 THR 17 HG22 THR 17 1.524 -6.111 -9.297 138 3HG2 THR 17 HG23 THR 17 0.329 -4.898 -8.838 139 H GLY 18 HN GLY 18 1.265 -4.170 -7.211 140 1HA GLY 18 HA2 GLY 18 -0.665 -3.174 -5.210 141 2HA GLY 18 HA1 GLY 18 0.922 -2.449 -5.417 142 H VAL 19 HN VAL 19 -1.939 -1.478 -5.770 143 HA VAL 19 HA VAL 19 -1.485 -0.222 -8.394 144 HB VAL 19 HB VAL 19 -3.923 -0.235 -8.829 145 1HG1 VAL 19 HG11 VAL 19 -2.521 -1.923 -9.867 146 2HG1 VAL 19 HG12 VAL 19 -4.104 -2.594 -9.473 147 3HG1 VAL 19 HG13 VAL 19 -2.709 -2.970 -8.460 148 1HG2 VAL 19 HG21 VAL 19 -4.726 -0.456 -6.543 149 2HG2 VAL 19 HG22 VAL 19 -4.053 -2.084 -6.448 150 3HG2 VAL 19 HG23 VAL 19 -5.381 -1.740 -7.558 151 H CYS 20 HN CYS 20 -2.574 1.878 -8.624 152 HA CYS 20 HA CYS 20 -2.640 3.254 -6.043 153 1HB CYS 20 HB2 CYS 20 -1.067 4.155 -7.685 154 2HB CYS 20 HB1 CYS 20 -2.374 4.365 -8.845 155 HG CYS 20 HG CYS 20 -3.583 6.046 -6.542 156 H ALA 21 HN ALA 21 -4.434 4.068 -5.231 157 HA ALA 21 HA ALA 21 -6.786 4.368 -6.987 158 1HB ALA 21 HB1 ALA 21 -7.100 2.530 -5.412 159 2HB ALA 21 HB2 ALA 21 -8.186 3.869 -5.038 160 3HB ALA 21 HB3 ALA 21 -6.738 3.610 -4.065 161 H LEU 22 HN LEU 22 -8.426 5.914 -5.790 162 HA LEU 22 HA LEU 22 -6.899 8.209 -4.757 163 1HB LEU 22 HB2 LEU 22 -9.191 8.243 -6.719 164 2HB LEU 22 HB1 LEU 22 -8.556 9.671 -5.926 165 HG LEU 22 HG LEU 22 -7.015 7.890 -7.816 166 1HD1 LEU 22 HD11 LEU 22 -8.736 9.184 -8.949 167 2HD1 LEU 22 HD12 LEU 22 -7.130 9.802 -9.336 168 3HD1 LEU 22 HD13 LEU 22 -8.150 10.658 -8.180 169 1HD2 LEU 22 HD21 LEU 22 -5.581 8.901 -6.118 170 2HD2 LEU 22 HD22 LEU 22 -6.246 10.491 -6.496 171 3HD2 LEU 22 HD23 LEU 22 -5.298 9.621 -7.702 172 H LEU 23 HN LEU 23 -7.463 8.585 -2.738 173 HA LEU 23 HA LEU 23 -10.295 8.294 -1.974 174 1HB LEU 23 HB2 LEU 23 -8.676 7.012 -0.605 175 2HB LEU 23 HB1 LEU 23 -7.846 8.504 -0.208 176 HG LEU 23 HG LEU 23 -9.912 9.308 0.923 177 1HD1 LEU 23 HD11 LEU 23 -11.533 7.961 -0.303 178 2HD1 LEU 23 HD12 LEU 23 -11.674 7.702 1.436 179 3HD1 LEU 23 HD13 LEU 23 -10.876 6.496 0.426 180 1HD2 LEU 23 HD21 LEU 23 -8.112 8.269 2.194 181 2HD2 LEU 23 HD22 LEU 23 -8.821 6.677 1.913 182 3HD2 LEU 23 HD23 LEU 23 -9.686 7.870 2.883 183 H GLY 24 HN GLY 24 -10.979 10.247 -2.860 184 1HA GLY 24 HA2 GLY 24 -11.394 12.516 -2.848 185 2HA GLY 24 HA1 GLY 24 -10.405 12.641 -1.398 186 H ASP 25 HN ASP 25 -8.409 13.457 -1.553 187 HA ASP 25 HA ASP 25 -7.282 13.789 -4.262 188 1HB ASP 25 HB2 ASP 25 -6.914 15.491 -1.791 189 2HB ASP 25 HB1 ASP 25 -5.958 15.678 -3.257 190 H GLU 26 HN GLU 26 -7.086 11.834 -1.747 191 HA GLU 26 HA GLU 26 -4.192 11.791 -1.447 192 1HB GLU 26 HB2 GLU 26 -6.325 10.050 -0.195 193 2HB GLU 26 HB1 GLU 26 -4.614 10.008 0.204 194 1HG GLU 26 HG2 GLU 26 -6.468 12.340 0.619 195 2HG GLU 26 HG1 GLU 26 -5.883 11.238 1.864 196 H GLN 27 HN GLN 27 -3.014 10.730 -2.894 197 HA GLN 27 HA GLN 27 -4.091 8.557 -4.447 198 1HB GLN 27 HB2 GLN 27 -1.363 9.824 -4.279 199 2HB GLN 27 HB1 GLN 27 -1.661 8.378 -5.237 200 1HG GLN 27 HG2 GLN 27 -3.325 9.574 -6.549 201 2HG GLN 27 HG1 GLN 27 -3.057 11.022 -5.579 202 1HE2 GLN 27 HE21 GLN 27 -1.709 8.895 -7.988 203 2HE2 GLN 27 HE22 GLN 27 -0.476 9.980 -8.527 204 H VAL 28 HN VAL 28 -4.485 6.745 -3.422 205 HA VAL 28 HA VAL 28 -2.707 5.889 -1.256 206 HB VAL 28 HB VAL 28 -5.425 4.802 -2.016 207 1HG1 VAL 28 HG11 VAL 28 -4.065 3.201 -0.794 208 2HG1 VAL 28 HG12 VAL 28 -5.388 3.788 0.213 209 3HG1 VAL 28 HG13 VAL 28 -3.753 4.399 0.461 210 1HG2 VAL 28 HG21 VAL 28 -6.293 6.060 -0.114 211 2HG2 VAL 28 HG22 VAL 28 -5.585 7.134 -1.321 212 3HG2 VAL 28 HG23 VAL 28 -4.697 6.761 0.157 213 H ALA 29 HN ALA 29 -1.509 4.083 -1.383 214 HA ALA 29 HA ALA 29 -1.550 2.598 -3.905 215 1HB ALA 29 HB1 ALA 29 0.625 1.735 -3.219 216 2HB ALA 29 HB2 ALA 29 0.476 2.563 -1.668 217 3HB ALA 29 HB3 ALA 29 0.606 3.497 -3.158 218 H ILE 30 HN ILE 30 -2.866 0.917 -3.910 219 HA ILE 30 HA ILE 30 -3.429 -0.531 -1.440 220 HB ILE 30 HB ILE 30 -4.615 -0.945 -4.190 221 1HG1 ILE 30 HG12 ILE 30 -5.747 0.545 -1.809 222 2HG1 ILE 30 HG11 ILE 30 -5.137 1.292 -3.284 223 1HG2 ILE 30 HG21 ILE 30 -5.451 -1.968 -1.478 224 2HG2 ILE 30 HG22 ILE 30 -4.771 -2.922 -2.797 225 3HG2 ILE 30 HG23 ILE 30 -6.362 -2.182 -2.973 226 1HD1 ILE 30 HD11 ILE 30 -7.557 1.191 -3.288 227 2HD1 ILE 30 HD12 ILE 30 -7.498 -0.560 -3.088 228 3HD1 ILE 30 HD13 ILE 30 -6.886 0.179 -4.567 229 H PHE 31 HN PHE 31 -1.994 -2.034 -0.945 230 HA PHE 31 HA PHE 31 -0.790 -3.593 -3.120 231 1HB PHE 31 HB2 PHE 31 0.123 -3.145 -0.272 232 2HB PHE 31 HB1 PHE 31 0.894 -4.269 -1.385 233 HD1 PHE 31 HD1 PHE 31 0.718 -0.896 -0.245 234 HD2 PHE 31 HD2 PHE 31 1.861 -3.334 -3.539 235 HE1 PHE 31 HE1 PHE 31 2.138 0.922 -1.094 236 HE2 PHE 31 HE2 PHE 31 3.280 -1.516 -4.395 237 HZ PHE 31 HZ PHE 31 3.422 0.614 -3.170 238 H ARG 32 HN ARG 32 -1.723 -5.470 -3.476 239 HA ARG 32 HA ARG 32 -2.752 -7.038 -1.217 240 1HB ARG 32 HB2 ARG 32 -4.159 -6.921 -3.249 241 2HB ARG 32 HB1 ARG 32 -2.827 -7.538 -4.214 242 1HG ARG 32 HG2 ARG 32 -2.927 -9.646 -2.887 243 2HG ARG 32 HG1 ARG 32 -4.370 -9.015 -2.087 244 1HD ARG 32 HD2 ARG 32 -5.459 -8.804 -4.294 245 2HD ARG 32 HD1 ARG 32 -4.034 -9.517 -5.044 246 HE ARG 32 HE ARG 32 -5.004 -11.242 -3.037 247 1HH1 ARG 32 HH11 ARG 32 -5.818 -10.089 -6.253 248 2HH1 ARG 32 HH12 ARG 32 -6.737 -11.503 -6.657 249 1HH2 ARG 32 HH21 ARG 32 -6.213 -13.121 -3.600 250 2HH2 ARG 32 HH22 ARG 32 -6.953 -13.216 -5.168 251 HA PRO 33 HA PRO 33 1.466 -8.559 -1.649 252 1HB PRO 33 HB2 PRO 33 1.969 -8.967 0.924 253 2HB PRO 33 HB1 PRO 33 1.793 -7.329 0.290 254 1HG PRO 33 HG2 PRO 33 -0.143 -8.976 1.853 255 2HG PRO 33 HG1 PRO 33 0.181 -7.236 1.948 256 1HD PRO 33 HD2 PRO 33 -1.922 -8.440 0.546 257 2HD PRO 33 HD1 PRO 33 -1.352 -6.773 0.340 258 H TYR 34 HN TYR 34 -1.254 -10.276 -1.218 259 HA TYR 34 HA TYR 34 0.209 -12.803 -1.069 260 1HB TYR 34 HB2 TYR 34 -2.163 -12.040 0.647 261 2HB TYR 34 HB1 TYR 34 -1.708 -13.711 0.360 262 HD1 TYR 34 HD1 TYR 34 0.683 -14.400 1.046 263 HD2 TYR 34 HD2 TYR 34 -1.229 -10.855 2.418 264 HE1 TYR 34 HE1 TYR 34 2.211 -14.326 2.969 265 HE2 TYR 34 HE2 TYR 34 0.301 -10.770 4.340 266 HH TYR 34 HH TYR 34 3.097 -12.698 4.548 267 H HIS 35 HN HIS 35 -1.813 -14.551 -1.184 268 HA HIS 35 HA HIS 35 -3.180 -13.910 -3.706 269 1HB HIS 35 HB2 HIS 35 -2.607 -16.538 -2.318 270 2HB HIS 35 HB1 HIS 35 -3.629 -16.401 -3.744 271 HD1 HIS 35 HD1 HIS 35 -2.341 -17.266 -5.645 272 HD2 HIS 35 HD2 HIS 35 0.011 -14.950 -3.120 273 HE1 HIS 35 HE1 HIS 35 -0.091 -17.108 -6.763 274 HE2 HIS 35 HE2 HIS 35 1.211 -15.481 -5.342 275 H SER 36 HN SER 36 -3.644 -14.215 -0.385 276 HA SER 36 HA SER 36 -6.404 -15.027 -0.481 277 1HB SER 36 HB2 SER 36 -4.872 -13.908 1.873 278 2HB SER 36 HB1 SER 36 -6.308 -14.933 1.909 279 HG SER 36 HG SER 36 -4.996 -16.568 1.916 280 H ASP 37 HN ASP 37 -7.497 -13.410 1.491 281 HA ASP 37 HA ASP 37 -8.240 -11.095 -0.079 282 1HB ASP 37 HB2 ASP 37 -9.939 -10.801 1.726 283 2HB ASP 37 HB1 ASP 37 -9.989 -12.397 0.980 284 H GLN 38 HN GLN 38 -5.655 -11.496 1.689 285 HA GLN 38 HA GLN 38 -5.873 -9.303 3.549 286 1HB GLN 38 HB2 GLN 38 -3.474 -10.966 2.755 287 2HB GLN 38 HB1 GLN 38 -3.539 -9.831 4.099 288 1HG GLN 38 HG2 GLN 38 -5.200 -11.174 5.209 289 2HG GLN 38 HG1 GLN 38 -5.273 -12.274 3.835 290 1HE2 GLN 38 HE21 GLN 38 -4.697 -14.056 5.006 291 2HE2 GLN 38 HE22 GLN 38 -3.100 -14.294 5.631 292 H VAL 39 HN VAL 39 -5.813 -7.300 2.828 293 HA VAL 39 HA VAL 39 -3.753 -6.556 0.872 294 HB VAL 39 HB VAL 39 -5.320 -4.875 -0.092 295 1HG1 VAL 39 HG11 VAL 39 -6.611 -6.452 -1.458 296 2HG1 VAL 39 HG12 VAL 39 -6.220 -7.743 -0.321 297 3HG1 VAL 39 HG13 VAL 39 -4.937 -6.972 -1.255 298 1HG2 VAL 39 HG21 VAL 39 -7.733 -5.143 0.270 299 2HG2 VAL 39 HG22 VAL 39 -6.893 -4.697 1.755 300 3HG2 VAL 39 HG23 VAL 39 -7.407 -6.365 1.499 301 H PHE 40 HN PHE 40 -2.922 -4.438 1.114 302 HA PHE 40 HA PHE 40 -3.743 -3.019 3.556 303 1HB PHE 40 HB2 PHE 40 -0.899 -3.607 2.704 304 2HB PHE 40 HB1 PHE 40 -1.352 -2.549 4.035 305 HD1 PHE 40 HD1 PHE 40 -2.541 -3.534 6.017 306 HD2 PHE 40 HD2 PHE 40 -0.763 -5.934 2.985 307 HE1 PHE 40 HE1 PHE 40 -2.563 -5.468 7.537 308 HE2 PHE 40 HE2 PHE 40 -0.787 -7.872 4.500 309 HZ PHE 40 HZ PHE 40 -1.689 -7.640 6.778 310 H ALA 41 HN ALA 41 -3.252 -0.739 3.541 311 HA ALA 41 HA ALA 41 -2.711 0.342 0.865 312 1HB ALA 41 HB1 ALA 41 -4.985 1.188 2.654 313 2HB ALA 41 HB2 ALA 41 -5.125 0.300 1.137 314 3HB ALA 41 HB3 ALA 41 -4.529 1.960 1.137 315 H ILE 42 HN ILE 42 -1.206 1.840 0.892 316 HA ILE 42 HA ILE 42 -0.955 3.576 3.255 317 HB ILE 42 HB ILE 42 1.510 3.640 2.906 318 1HG1 ILE 42 HG12 ILE 42 1.019 1.245 1.119 319 2HG1 ILE 42 HG11 ILE 42 1.512 2.840 0.563 320 1HG2 ILE 42 HG21 ILE 42 1.984 1.496 3.992 321 2HG2 ILE 42 HG22 ILE 42 0.372 0.927 3.560 322 3HG2 ILE 42 HG23 ILE 42 0.559 2.280 4.677 323 1HD1 ILE 42 HD11 ILE 42 3.598 2.626 1.813 324 2HD1 ILE 42 HD12 ILE 42 3.396 1.320 0.645 325 3HD1 ILE 42 HD13 ILE 42 3.103 1.025 2.359 326 H SER 43 HN SER 43 0.730 5.435 2.504 327 HA SER 43 HA SER 43 -0.525 6.859 0.406 328 1HB SER 43 HB2 SER 43 0.746 7.911 2.300 329 2HB SER 43 HB1 SER 43 2.237 7.344 1.555 330 HG SER 43 HG SER 43 2.164 9.028 0.317 331 H ASN 44 HN ASN 44 -0.123 6.914 -1.742 332 HA ASN 44 HA ASN 44 1.717 4.961 -2.813 333 1HB ASN 44 HB2 ASN 44 -0.456 5.157 -3.853 334 2HB ASN 44 HB1 ASN 44 -0.210 6.872 -4.151 335 1HD2 ASN 44 HD21 ASN 44 0.771 7.499 -5.966 336 2HD2 ASN 44 HD22 ASN 44 1.416 6.433 -7.158 337 H ILE 45 HN ILE 45 1.877 8.197 -1.938 338 HA ILE 45 HA ILE 45 4.389 8.504 -3.456 339 HB ILE 45 HB ILE 45 2.569 10.755 -2.562 340 1HG1 ILE 45 HG12 ILE 45 3.054 9.643 -5.336 341 2HG1 ILE 45 HG11 ILE 45 1.563 9.494 -4.411 342 1HG2 ILE 45 HG21 ILE 45 4.051 12.176 -3.905 343 2HG2 ILE 45 HG22 ILE 45 5.068 10.778 -4.253 344 3HG2 ILE 45 HG23 ILE 45 4.925 11.374 -2.600 345 1HD1 ILE 45 HD11 ILE 45 2.768 12.060 -5.420 346 2HD1 ILE 45 HD12 ILE 45 1.275 11.916 -4.492 347 3HD1 ILE 45 HD13 ILE 45 1.381 11.216 -6.107 348 H ASP 46 HN ASP 46 6.176 8.914 -2.232 349 HA ASP 46 HA ASP 46 5.773 9.139 0.660 350 1HB ASP 46 HB2 ASP 46 7.995 8.430 0.966 351 2HB ASP 46 HB1 ASP 46 7.424 7.472 -0.393 352 HA PRO 47 HA PRO 47 6.635 13.405 0.499 353 1HB PRO 47 HB2 PRO 47 6.857 13.949 3.102 354 2HB PRO 47 HB1 PRO 47 5.354 13.320 2.417 355 1HG PRO 47 HG2 PRO 47 7.425 11.931 4.037 356 2HG PRO 47 HG1 PRO 47 5.674 11.672 3.987 357 1HD PRO 47 HD2 PRO 47 7.650 10.163 2.643 358 2HD PRO 47 HD1 PRO 47 5.894 10.069 2.403 359 H PHE 48 HN PHE 48 9.184 11.348 1.450 360 HA PHE 48 HA PHE 48 10.951 13.554 2.164 361 1HB PHE 48 HB2 PHE 48 10.964 11.434 3.484 362 2HB PHE 48 HB1 PHE 48 11.575 10.595 2.061 363 HD1 PHE 48 HD1 PHE 48 13.869 10.707 1.459 364 HD2 PHE 48 HD2 PHE 48 12.352 13.161 4.588 365 HE1 PHE 48 HE1 PHE 48 16.168 11.290 2.111 366 HE2 PHE 48 HE2 PHE 48 14.649 13.748 5.245 367 HZ PHE 48 HZ PHE 48 16.560 12.812 4.007 368 H PHE 49 HN PHE 49 10.902 10.868 -0.155 369 HA PHE 49 HA PHE 49 13.068 12.183 -1.660 370 1HB PHE 49 HB2 PHE 49 13.289 9.789 -0.827 371 2HB PHE 49 HB1 PHE 49 12.016 9.360 -1.960 372 HD1 PHE 49 HD1 PHE 49 15.494 10.435 -1.604 373 HD2 PHE 49 HD2 PHE 49 12.450 9.229 -4.323 374 HE1 PHE 49 HE1 PHE 49 17.194 10.079 -3.344 375 HE2 PHE 49 HE2 PHE 49 14.146 8.875 -6.067 376 HZ PHE 49 HZ PHE 49 16.521 9.289 -5.574 377 H GLU 50 HN GLU 50 9.807 11.093 -1.736 378 HA GLU 50 HA GLU 50 8.053 11.565 -3.055 379 1HB GLU 50 HB2 GLU 50 9.988 13.397 -4.453 380 2HB GLU 50 HB1 GLU 50 8.306 13.230 -4.930 381 1HG GLU 50 HG2 GLU 50 7.614 13.973 -2.701 382 2HG GLU 50 HG1 GLU 50 9.310 14.177 -2.258 383 H SER 51 HN SER 51 8.295 9.306 -3.580 384 HA SER 51 HA SER 51 8.853 8.937 -6.436 385 1HB SER 51 HB2 SER 51 8.075 6.899 -4.323 386 2HB SER 51 HB1 SER 51 8.544 6.539 -5.985 387 HG SER 51 HG SER 51 10.153 7.685 -3.944 388 H SER 52 HN SER 52 7.216 9.324 -7.764 389 HA SER 52 HA SER 52 4.750 10.197 -6.858 390 1HB SER 52 HB2 SER 52 5.295 9.162 -9.642 391 2HB SER 52 HB1 SER 52 4.135 10.401 -9.163 392 HG SER 52 HG SER 52 5.672 11.823 -9.286 393 H VAL 53 HN VAL 53 5.691 7.036 -8.058 394 HA VAL 53 HA VAL 53 3.183 6.021 -6.929 395 HB VAL 53 HB VAL 53 3.292 4.153 -8.649 396 1HG1 VAL 53 HG11 VAL 53 1.624 5.931 -8.744 397 2HG1 VAL 53 HG12 VAL 53 2.141 5.462 -10.364 398 3HG1 VAL 53 HG13 VAL 53 2.751 6.950 -9.640 399 1HG2 VAL 53 HG21 VAL 53 5.135 6.110 -10.023 400 2HG2 VAL 53 HG22 VAL 53 4.428 4.677 -10.767 401 3HG2 VAL 53 HG23 VAL 53 5.569 4.505 -9.433 402 H LEU 54 HN LEU 54 3.557 4.716 -5.275 403 HA LEU 54 HA LEU 54 6.099 3.306 -5.076 404 1HB LEU 54 HB2 LEU 54 3.747 3.445 -3.184 405 2HB LEU 54 HB1 LEU 54 5.230 2.565 -2.863 406 HG LEU 54 HG LEU 54 4.961 5.554 -3.186 407 1HD1 LEU 54 HD11 LEU 54 4.119 4.720 -1.064 408 2HD1 LEU 54 HD12 LEU 54 5.625 5.609 -0.835 409 3HD1 LEU 54 HD13 LEU 54 5.626 3.846 -0.795 410 1HD2 LEU 54 HD21 LEU 54 7.334 5.645 -2.608 411 2HD2 LEU 54 HD22 LEU 54 7.072 4.770 -4.117 412 3HD2 LEU 54 HD23 LEU 54 7.409 3.883 -2.630 413 H SER 55 HN SER 55 3.044 2.844 -6.323 414 HA SER 55 HA SER 55 2.780 0.028 -5.947 415 1HB SER 55 HB2 SER 55 1.486 1.820 -8.023 416 2HB SER 55 HB1 SER 55 0.950 0.206 -7.557 417 HG SER 55 HG SER 55 0.855 2.611 -6.073 418 H ARG 56 HN ARG 56 5.037 1.702 -7.571 419 HA ARG 56 HA ARG 56 5.275 -0.242 -9.762 420 1HB ARG 56 HB2 ARG 56 5.404 2.327 -10.139 421 2HB ARG 56 HB1 ARG 56 7.001 2.205 -9.412 422 1HG ARG 56 HG2 ARG 56 7.491 0.428 -11.167 423 2HG ARG 56 HG1 ARG 56 6.021 0.978 -11.969 424 1HD ARG 56 HD2 ARG 56 8.489 2.596 -11.366 425 2HD ARG 56 HD1 ARG 56 7.916 2.083 -12.950 426 HE ARG 56 HE ARG 56 6.565 4.073 -11.248 427 1HH1 ARG 56 HH11 ARG 56 7.271 2.715 -14.397 428 2HH1 ARG 56 HH12 ARG 56 6.596 4.065 -15.262 429 1HH2 ARG 56 HH21 ARG 56 5.657 5.841 -12.411 430 2HH2 ARG 56 HH22 ARG 56 5.681 5.821 -14.147 431 H GLY 57 HN GLY 57 5.745 -1.141 -7.183 432 1HA GLY 57 HA2 GLY 57 8.662 -1.532 -7.206 433 2HA GLY 57 HA1 GLY 57 7.840 -1.095 -5.714 434 H LEU 58 HN LEU 58 9.329 -3.367 -5.797 435 HA LEU 58 HA LEU 58 7.433 -5.560 -6.257 436 1HB LEU 58 HB2 LEU 58 10.438 -5.569 -5.984 437 2HB LEU 58 HB1 LEU 58 9.471 -7.026 -6.050 438 HG LEU 58 HG LEU 58 10.341 -6.750 -8.212 439 1HD1 LEU 58 HD11 LEU 58 8.390 -6.354 -9.619 440 2HD1 LEU 58 HD12 LEU 58 7.546 -5.632 -8.249 441 3HD1 LEU 58 HD13 LEU 58 7.989 -7.339 -8.212 442 1HD2 LEU 58 HD21 LEU 58 11.105 -4.452 -8.030 443 2HD2 LEU 58 HD22 LEU 58 9.442 -3.874 -8.131 444 3HD2 LEU 58 HD23 LEU 58 10.179 -4.687 -9.513 445 H ILE 59 HN ILE 59 6.856 -6.947 -4.656 446 HA ILE 59 HA ILE 59 7.342 -6.057 -1.938 447 HB ILE 59 HB ILE 59 5.632 -8.348 -2.929 448 1HG1 ILE 59 HG12 ILE 59 4.827 -5.536 -2.143 449 2HG1 ILE 59 HG11 ILE 59 4.913 -6.138 -3.796 450 1HG2 ILE 59 HG21 ILE 59 4.560 -8.210 -0.726 451 2HG2 ILE 59 HG22 ILE 59 5.713 -6.962 -0.249 452 3HG2 ILE 59 HG23 ILE 59 6.275 -8.598 -0.594 453 1HD1 ILE 59 HD11 ILE 59 3.078 -7.168 -1.644 454 2HD1 ILE 59 HD12 ILE 59 3.154 -7.745 -3.309 455 3HD1 ILE 59 HD13 ILE 59 2.627 -6.096 -2.969 456 H ALA 60 HN ALA 60 8.790 -6.932 -0.608 457 HA ALA 60 HA ALA 60 9.767 -9.654 -1.094 458 1HB ALA 60 HB1 ALA 60 12.089 -8.946 -0.887 459 2HB ALA 60 HB2 ALA 60 11.578 -7.264 -0.745 460 3HB ALA 60 HB3 ALA 60 11.316 -8.141 -2.253 461 H GLU 61 HN GLU 61 10.551 -10.697 0.769 462 HA GLU 61 HA GLU 61 9.491 -9.578 3.220 463 1HB GLU 61 HB2 GLU 61 10.629 -12.255 2.503 464 2HB GLU 61 HB1 GLU 61 10.391 -11.797 4.181 465 1HG GLU 61 HG2 GLU 61 8.477 -12.941 3.714 466 2HG GLU 61 HG1 GLU 61 7.988 -11.273 3.448 467 H HIS 62 HN HIS 62 10.592 -9.201 5.074 468 HA HIS 62 HA HIS 62 13.258 -10.120 5.440 469 1HB HIS 62 HB2 HIS 62 13.417 -7.806 4.183 470 2HB HIS 62 HB1 HIS 62 13.050 -7.148 5.779 471 HD1 HIS 62 HD1 HIS 62 15.013 -6.846 7.300 472 HD2 HIS 62 HD2 HIS 62 15.789 -9.549 4.241 473 HE1 HIS 62 HE1 HIS 62 17.430 -7.483 7.562 474 HE2 HIS 62 HE2 HIS 62 17.911 -9.037 5.630 475 H GLN 63 HN GLN 63 13.497 -10.599 7.508 476 HA GLN 63 HA GLN 63 13.153 -10.740 9.749 477 1HB GLN 63 HB2 GLN 63 11.498 -8.220 9.484 478 2HB GLN 63 HB1 GLN 63 12.058 -8.933 10.988 479 1HG GLN 63 HG2 GLN 63 13.824 -7.821 8.819 480 2HG GLN 63 HG1 GLN 63 13.390 -6.996 10.314 481 1HE2 GLN 63 HE21 GLN 63 13.549 -9.412 11.927 482 2HE2 GLN 63 HE22 GLN 63 15.237 -9.774 12.090 483 H GLY 64 HN GLY 64 11.008 -11.388 7.453 484 1HA GLY 64 HA2 GLY 64 9.210 -12.893 7.633 485 2HA GLY 64 HA1 GLY 64 9.097 -12.525 9.351 486 H GLU 65 HN GLU 65 9.439 -9.783 7.487 487 HA GLU 65 HA GLU 65 6.556 -9.218 7.638 488 1HB GLU 65 HB2 GLU 65 8.925 -7.364 7.965 489 2HB GLU 65 HB1 GLU 65 7.268 -6.804 7.801 490 1HG GLU 65 HG2 GLU 65 8.228 -8.626 9.993 491 2HG GLU 65 HG1 GLU 65 8.116 -6.873 10.135 492 H LEU 66 HN LEU 66 5.787 -7.688 5.973 493 HA LEU 66 HA LEU 66 7.081 -8.345 3.433 494 1HB LEU 66 HB2 LEU 66 4.323 -7.216 3.890 495 2HB LEU 66 HB1 LEU 66 4.957 -7.884 2.397 496 HG LEU 66 HG LEU 66 4.333 -9.402 4.928 497 1HD1 LEU 66 HD11 LEU 66 3.157 -9.591 2.172 498 2HD1 LEU 66 HD12 LEU 66 2.418 -8.730 3.520 499 3HD1 LEU 66 HD13 LEU 66 2.646 -10.478 3.605 500 1HD2 LEU 66 HD21 LEU 66 5.507 -10.397 2.333 501 2HD2 LEU 66 HD22 LEU 66 4.975 -11.405 3.680 502 3HD2 LEU 66 HD23 LEU 66 6.341 -10.308 3.886 503 H TRP 67 HN TRP 67 8.263 -6.872 2.480 504 HA TRP 67 HA TRP 67 7.703 -4.026 3.012 505 1HB TRP 67 HB2 TRP 67 10.360 -5.297 2.298 506 2HB TRP 67 HB1 TRP 67 10.085 -3.597 2.655 507 HD1 TRP 67 HD1 TRP 67 10.048 -7.031 4.424 508 HE1 TRP 67 HE1 TRP 67 10.560 -6.657 6.919 509 HE3 TRP 67 HE3 TRP 67 10.131 -1.920 4.467 510 HZ2 TRP 67 HZ2 TRP 67 10.946 -4.476 8.671 511 HZ3 TRP 67 HZ3 TRP 67 10.583 -0.767 6.593 512 HH2 TRP 67 HH2 TRP 67 10.981 -2.020 8.652 513 H VAL 68 HN VAL 68 7.283 -2.774 1.247 514 HA VAL 68 HA VAL 68 7.685 -4.006 -1.377 515 HB VAL 68 HB VAL 68 5.471 -3.068 -1.051 516 1HG1 VAL 68 HG11 VAL 68 5.107 -0.665 -0.741 517 2HG1 VAL 68 HG12 VAL 68 6.846 -0.431 -0.563 518 3HG1 VAL 68 HG13 VAL 68 5.957 -1.386 0.624 519 1HG2 VAL 68 HG21 VAL 68 6.394 -2.977 -3.293 520 2HG2 VAL 68 HG22 VAL 68 7.117 -1.404 -2.953 521 3HG2 VAL 68 HG23 VAL 68 5.361 -1.577 -2.999 522 H ALA 69 HN ALA 69 9.401 -3.547 -2.531 523 HA ALA 69 HA ALA 69 11.107 -1.329 -1.651 524 1HB ALA 69 HB1 ALA 69 11.795 -3.727 -3.352 525 2HB ALA 69 HB2 ALA 69 12.110 -3.565 -1.624 526 3HB ALA 69 HB3 ALA 69 12.925 -2.504 -2.770 527 H SER 70 HN SER 70 11.199 0.437 -2.821 528 HA SER 70 HA SER 70 10.082 0.490 -5.499 529 1HB SER 70 HB2 SER 70 11.329 2.741 -3.899 530 2HB SER 70 HB1 SER 70 10.301 2.897 -5.326 531 HG SER 70 HG SER 70 9.112 1.404 -3.400 532 HA PRO 71 HA PRO 71 14.123 -0.443 -7.166 533 1HB PRO 71 HB2 PRO 71 12.826 0.080 -9.758 534 2HB PRO 71 HB1 PRO 71 13.578 -1.399 -9.154 535 1HG PRO 71 HG2 PRO 71 10.920 -1.189 -9.426 536 2HG PRO 71 HG1 PRO 71 11.652 -2.108 -8.097 537 1HD PRO 71 HD2 PRO 71 10.478 0.648 -8.075 538 2HD PRO 71 HD1 PRO 71 10.308 -0.657 -6.882 539 H LEU 72 HN LEU 72 12.441 2.482 -7.387 540 HA LEU 72 HA LEU 72 14.102 3.981 -9.081 541 1HB LEU 72 HB2 LEU 72 12.480 4.815 -6.674 542 2HB LEU 72 HB1 LEU 72 13.323 5.951 -7.705 543 HG LEU 72 HG LEU 72 11.928 5.012 -9.628 544 1HD1 LEU 72 HD11 LEU 72 9.799 3.996 -9.020 545 2HD1 LEU 72 HD12 LEU 72 10.293 3.953 -7.328 546 3HD1 LEU 72 HD13 LEU 72 11.151 2.981 -8.522 547 1HD2 LEU 72 HD21 LEU 72 11.555 7.207 -8.670 548 2HD2 LEU 72 HD22 LEU 72 10.571 6.500 -7.388 549 3HD2 LEU 72 HD23 LEU 72 10.019 6.433 -9.062 550 H LYS 73 HN LYS 73 14.321 3.150 -5.672 551 HA LYS 73 HA LYS 73 17.170 3.717 -5.753 552 1HB LYS 73 HB2 LYS 73 15.253 5.023 -3.831 553 2HB LYS 73 HB1 LYS 73 16.940 4.788 -3.414 554 1HG LYS 73 HG2 LYS 73 16.280 6.155 -5.972 555 2HG LYS 73 HG1 LYS 73 16.105 7.035 -4.454 556 1HD LYS 73 HD2 LYS 73 18.291 7.493 -5.282 557 2HD LYS 73 HD1 LYS 73 18.470 6.398 -3.913 558 1HE LYS 73 HE2 LYS 73 19.950 5.729 -5.701 559 2HE LYS 73 HE1 LYS 73 18.694 4.511 -5.480 560 1HZ LYS 73 HZ1 LYS 73 18.662 6.628 -7.573 561 2HZ LYS 73 HZ2 LYS 73 17.524 5.389 -7.381 562 3HZ LYS 73 HZ3 LYS 73 19.112 5.010 -7.827 563 H LYS 74 HN LYS 74 16.078 3.425 -2.586 564 HA LYS 74 HA LYS 74 15.985 0.495 -2.650 565 1HB LYS 74 HB2 LYS 74 17.912 2.165 -1.041 566 2HB LYS 74 HB1 LYS 74 17.484 0.526 -0.570 567 1HG LYS 74 HG2 LYS 74 18.331 -0.315 -2.695 568 2HG LYS 74 HG1 LYS 74 18.744 1.329 -3.186 569 1HD LYS 74 HD2 LYS 74 20.330 1.509 -1.362 570 2HD LYS 74 HD1 LYS 74 19.867 -0.089 -0.772 571 1HE LYS 74 HE2 LYS 74 21.968 -0.134 -2.049 572 2HE LYS 74 HE1 LYS 74 20.708 -1.120 -2.788 573 1HZ LYS 74 HZ1 LYS 74 21.417 1.638 -3.643 574 2HZ LYS 74 HZ2 LYS 74 20.298 0.604 -4.392 575 3HZ LYS 74 HZ3 LYS 74 21.949 0.218 -4.405 576 H GLN 75 HN GLN 75 14.055 2.690 -2.186 577 HA GLN 75 HA GLN 75 13.484 2.884 0.590 578 1HB GLN 75 HB2 GLN 75 11.659 3.355 -1.778 579 2HB GLN 75 HB1 GLN 75 11.373 3.905 -0.131 580 1HG GLN 75 HG2 GLN 75 13.304 5.356 -0.248 581 2HG GLN 75 HG1 GLN 75 13.692 4.747 -1.854 582 1HE2 GLN 75 HE21 GLN 75 10.423 5.427 -0.782 583 2HE2 GLN 75 HE22 GLN 75 10.170 6.797 -1.809 584 H ARG 76 HN ARG 76 12.486 1.501 1.891 585 HA ARG 76 HA ARG 76 10.835 -0.624 0.672 586 1HB ARG 76 HB2 ARG 76 12.665 -0.910 3.063 587 2HB ARG 76 HB1 ARG 76 11.597 -2.159 2.436 588 1HG ARG 76 HG2 ARG 76 12.865 -2.068 0.294 589 2HG ARG 76 HG1 ARG 76 14.000 -0.967 1.077 590 1HD ARG 76 HD2 ARG 76 14.935 -3.148 1.211 591 2HD ARG 76 HD1 ARG 76 14.358 -2.727 2.823 592 HE ARG 76 HE ARG 76 12.269 -4.072 1.913 593 1HH1 ARG 76 HH11 ARG 76 15.673 -4.788 1.696 594 2HH1 ARG 76 HH12 ARG 76 15.456 -6.509 1.625 595 1HH2 ARG 76 HH21 ARG 76 11.952 -6.362 1.803 596 2HH2 ARG 76 HH22 ARG 76 13.337 -7.402 1.641 597 H PHE 77 HN PHE 77 8.811 -0.471 1.276 598 HA PHE 77 HA PHE 77 8.184 0.846 3.831 599 1HB PHE 77 HB2 PHE 77 6.458 0.459 1.373 600 2HB PHE 77 HB1 PHE 77 5.946 1.258 2.855 601 HD1 PHE 77 HD1 PHE 77 8.328 1.482 0.028 602 HD2 PHE 77 HD2 PHE 77 6.396 3.529 3.220 603 HE1 PHE 77 HE1 PHE 77 9.174 3.622 -0.840 604 HE2 PHE 77 HE2 PHE 77 7.240 5.675 2.357 605 HZ PHE 77 HZ PHE 77 8.631 5.722 0.326 606 H ARG 78 HN ARG 78 7.574 -0.420 5.424 607 HA ARG 78 HA ARG 78 6.865 -3.160 5.091 608 1HB ARG 78 HB2 ARG 78 7.999 -2.430 7.091 609 2HB ARG 78 HB1 ARG 78 6.721 -1.282 7.454 610 1HG ARG 78 HG2 ARG 78 5.173 -3.146 7.824 611 2HG ARG 78 HG1 ARG 78 6.488 -4.280 7.499 612 1HD ARG 78 HD2 ARG 78 7.711 -3.530 9.397 613 2HD ARG 78 HD1 ARG 78 6.616 -2.169 9.639 614 HE ARG 78 HE ARG 78 5.071 -4.448 9.812 615 1HH1 ARG 78 HH11 ARG 78 7.783 -3.045 11.515 616 2HH1 ARG 78 HH12 ARG 78 7.389 -3.791 13.027 617 1HH2 ARG 78 HH21 ARG 78 4.546 -5.452 11.795 618 2HH2 ARG 78 HH22 ARG 78 5.547 -5.184 13.190 619 H LEU 79 HN LEU 79 4.958 -3.937 4.517 620 HA LEU 79 HA LEU 79 2.780 -2.143 4.025 621 1HB LEU 79 HB2 LEU 79 2.993 -5.131 3.693 622 2HB LEU 79 HB1 LEU 79 1.670 -4.147 3.098 623 HG LEU 79 HG LEU 79 4.546 -3.914 2.210 624 1HD1 LEU 79 HD11 LEU 79 2.145 -5.088 0.817 625 2HD1 LEU 79 HD12 LEU 79 3.515 -5.991 1.465 626 3HD1 LEU 79 HD13 LEU 79 3.750 -4.880 0.115 627 1HD2 LEU 79 HD21 LEU 79 3.648 -2.438 0.483 628 2HD2 LEU 79 HD22 LEU 79 3.345 -1.795 2.097 629 3HD2 LEU 79 HD23 LEU 79 2.042 -2.574 1.197 630 H SER 80 HN SER 80 3.608 -4.133 6.663 631 HA SER 80 HA SER 80 1.188 -5.112 7.574 632 1HB SER 80 HB2 SER 80 3.187 -4.039 9.521 633 2HB SER 80 HB1 SER 80 2.322 -5.578 9.533 634 HG SER 80 HG SER 80 4.315 -6.168 8.891 635 H ASP 81 HN ASP 81 2.619 -1.927 8.059 636 HA ASP 81 HA ASP 81 -0.027 -0.850 8.637 637 1HB ASP 81 HB2 ASP 81 0.907 -1.193 10.871 638 2HB ASP 81 HB1 ASP 81 2.382 -0.350 10.408 639 H GLY 82 HN GLY 82 3.407 0.081 8.460 640 1HA GLY 82 HA2 GLY 82 3.466 1.318 6.057 641 2HA GLY 82 HA1 GLY 82 2.697 2.523 7.078 642 H LEU 83 HN LEU 83 5.238 0.273 8.028 643 HA LEU 83 HA LEU 83 6.843 2.539 8.866 644 1HB LEU 83 HB2 LEU 83 6.606 0.641 10.389 645 2HB LEU 83 HB1 LEU 83 7.303 -0.428 9.184 646 HG LEU 83 HG LEU 83 9.375 1.081 9.304 647 1HD1 LEU 83 HD11 LEU 83 8.041 1.884 11.880 648 2HD1 LEU 83 HD12 LEU 83 8.324 2.931 10.489 649 3HD1 LEU 83 HD13 LEU 83 9.690 2.279 11.396 650 1HD2 LEU 83 HD21 LEU 83 10.243 -0.130 11.240 651 2HD2 LEU 83 HD22 LEU 83 9.326 -1.184 10.164 652 3HD2 LEU 83 HD23 LEU 83 8.602 -0.615 11.671 653 H CYS 84 HN CYS 84 7.701 3.433 7.018 654 HA CYS 84 HA CYS 84 9.221 1.834 5.175 655 1HB CYS 84 HB2 CYS 84 8.261 3.919 4.391 656 2HB CYS 84 HB1 CYS 84 9.100 4.819 5.642 657 HG CYS 84 HG CYS 84 11.081 3.076 3.538 658 H MET 85 HN MET 85 11.264 1.150 5.478 659 HA MET 85 HA MET 85 12.442 1.402 8.030 660 1HB MET 85 HB2 MET 85 12.699 -0.506 6.361 661 2HB MET 85 HB1 MET 85 13.881 0.502 5.537 662 1HG MET 85 HG2 MET 85 14.982 -1.077 6.994 663 2HG MET 85 HG1 MET 85 15.240 0.570 7.566 664 1HE MET 85 HE1 MET 85 15.776 -2.064 9.300 665 2HE MET 85 HE2 MET 85 15.111 -1.582 10.861 666 3HE MET 85 HE3 MET 85 16.063 -0.436 9.918 667 H GLU 86 HN GLU 86 12.580 3.406 5.296 668 HA GLU 86 HA GLU 86 15.079 4.689 6.067 669 1HB GLU 86 HB2 GLU 86 13.133 5.281 3.826 670 2HB GLU 86 HB1 GLU 86 14.645 6.132 4.084 671 1HG GLU 86 HG2 GLU 86 14.906 4.522 2.320 672 2HG GLU 86 HG1 GLU 86 15.874 4.039 3.710 673 H ASP 87 HN ASP 87 11.665 5.099 6.355 674 HA ASP 87 HA ASP 87 11.945 7.896 7.221 675 1HB ASP 87 HB2 ASP 87 10.457 7.407 5.259 676 2HB ASP 87 HB1 ASP 87 9.436 6.463 6.332 677 H GLU 88 HN GLU 88 12.148 5.156 8.698 678 HA GLU 88 HA GLU 88 9.978 4.643 10.289 679 1HB GLU 88 HB2 GLU 88 11.733 3.700 11.940 680 2HB GLU 88 HB1 GLU 88 11.574 2.996 10.340 681 1HG GLU 88 HG2 GLU 88 13.883 3.172 10.823 682 2HG GLU 88 HG1 GLU 88 13.505 4.389 9.609 683 H GLN 89 HN GLN 89 11.993 7.395 10.633 684 HA GLN 89 HA GLN 89 11.504 7.959 13.365 685 1HB GLN 89 HB2 GLN 89 12.081 9.795 11.032 686 2HB GLN 89 HB1 GLN 89 12.012 10.327 12.705 687 1HG GLN 89 HG2 GLN 89 13.932 8.291 11.600 688 2HG GLN 89 HG1 GLN 89 14.304 9.984 11.927 689 1HE2 GLN 89 HE21 GLN 89 15.489 7.568 13.039 690 2HE2 GLN 89 HE22 GLN 89 15.278 7.672 14.756 691 H PHE 90 HN PHE 90 9.688 8.581 10.404 692 HA PHE 90 HA PHE 90 7.657 10.020 11.984 693 1HB PHE 90 HB2 PHE 90 8.193 10.155 9.009 694 2HB PHE 90 HB1 PHE 90 6.964 11.072 9.872 695 HD1 PHE 90 HD1 PHE 90 10.477 10.815 9.026 696 HD2 PHE 90 HD2 PHE 90 7.621 12.869 11.421 697 HE1 PHE 90 HE1 PHE 90 12.110 12.612 9.425 698 HE2 PHE 90 HE2 PHE 90 9.249 14.668 11.826 699 HZ PHE 90 HZ PHE 90 11.496 14.541 10.827 700 H SER 91 HN SER 91 8.054 7.735 9.308 701 HA SER 91 HA SER 91 6.863 5.918 8.656 702 1HB SER 91 HB2 SER 91 4.991 6.484 10.970 703 2HB SER 91 HB1 SER 91 5.004 5.022 9.980 704 HG SER 91 HG SER 91 7.312 5.891 11.357 705 H VAL 92 HN VAL 92 5.113 5.536 7.237 706 HA VAL 92 HA VAL 92 4.181 8.085 6.190 707 HB VAL 92 HB VAL 92 3.660 6.865 4.121 708 1HG1 VAL 92 HG11 VAL 92 6.441 6.397 5.188 709 2HG1 VAL 92 HG12 VAL 92 5.854 7.861 4.398 710 3HG1 VAL 92 HG13 VAL 92 5.977 6.355 3.487 711 1HG2 VAL 92 HG21 VAL 92 4.389 4.529 3.862 712 2HG2 VAL 92 HG22 VAL 92 3.092 4.692 5.045 713 3HG2 VAL 92 HG23 VAL 92 4.754 4.464 5.586 714 H LYS 93 HN LYS 93 2.084 8.014 4.978 715 HA LYS 93 HA LYS 93 -0.027 7.789 6.814 716 1HB LYS 93 HB2 LYS 93 0.203 9.333 4.806 717 2HB LYS 93 HB1 LYS 93 -0.257 7.963 3.814 718 1HG LYS 93 HG2 LYS 93 -2.210 9.208 4.100 719 2HG LYS 93 HG1 LYS 93 -2.367 7.841 5.203 720 1HD LYS 93 HD2 LYS 93 -1.926 9.165 7.084 721 2HD LYS 93 HD1 LYS 93 -1.257 10.476 6.110 722 1HE LYS 93 HE2 LYS 93 -4.146 9.602 6.134 723 2HE LYS 93 HE1 LYS 93 -3.495 11.011 6.971 724 1HZ LYS 93 HZ1 LYS 93 -3.650 10.571 4.034 725 2HZ LYS 93 HZ2 LYS 93 -2.754 11.827 4.741 726 3HZ LYS 93 HZ3 LYS 93 -4.434 11.767 4.951 727 H HIS 94 HN HIS 94 -1.348 6.135 7.292 728 HA HIS 94 HA HIS 94 -1.365 3.792 5.511 729 1HB HIS 94 HB2 HIS 94 -0.252 3.146 7.517 730 2HB HIS 94 HB1 HIS 94 -1.442 3.950 8.526 731 HD1 HIS 94 HD1 HIS 94 -2.696 2.245 9.759 732 HD2 HIS 94 HD2 HIS 94 -1.903 1.017 5.869 733 HE1 HIS 94 HE1 HIS 94 -3.787 -0.007 9.530 734 HE2 HIS 94 HE2 HIS 94 -3.419 -0.666 7.131 735 H TYR 95 HN TYR 95 -3.267 3.079 4.814 736 HA TYR 95 HA TYR 95 -5.722 4.188 6.011 737 1HB TYR 95 HB2 TYR 95 -5.241 3.373 3.130 738 2HB TYR 95 HB1 TYR 95 -6.771 3.951 3.785 739 HD1 TYR 95 HD1 TYR 95 -3.406 4.897 2.716 740 HD2 TYR 95 HD2 TYR 95 -7.077 6.295 4.343 741 HE1 TYR 95 HE1 TYR 95 -2.727 7.207 2.241 742 HE2 TYR 95 HE2 TYR 95 -6.413 8.613 3.869 743 HH TYR 95 HH TYR 95 -3.642 9.388 1.950 744 H GLU 96 HN GLU 96 -7.559 2.729 6.028 745 HA GLU 96 HA GLU 96 -6.643 -0.015 6.429 746 1HB GLU 96 HB2 GLU 96 -8.213 1.413 8.007 747 2HB GLU 96 HB1 GLU 96 -9.467 0.821 6.923 748 1HG GLU 96 HG2 GLU 96 -9.340 -0.655 8.782 749 2HG GLU 96 HG1 GLU 96 -8.683 -1.493 7.376 750 H ALA 97 HN ALA 97 -7.235 -1.700 5.178 751 HA ALA 97 HA ALA 97 -9.063 -1.138 2.940 752 1HB ALA 97 HB1 ALA 97 -7.623 -2.453 1.471 753 2HB ALA 97 HB2 ALA 97 -6.479 -2.687 2.793 754 3HB ALA 97 HB3 ALA 97 -6.756 -1.072 2.143 755 H ARG 98 HN ARG 98 -10.636 -2.591 2.661 756 HA ARG 98 HA ARG 98 -10.276 -5.269 3.823 757 1HB ARG 98 HB2 ARG 98 -12.502 -5.295 4.712 758 2HB ARG 98 HB1 ARG 98 -11.708 -3.848 5.311 759 1HG ARG 98 HG2 ARG 98 -12.896 -2.482 3.715 760 2HG ARG 98 HG1 ARG 98 -13.614 -3.915 2.977 761 1HD ARG 98 HD2 ARG 98 -14.743 -4.420 5.100 762 2HD ARG 98 HD1 ARG 98 -14.044 -2.966 5.809 763 HE ARG 98 HE ARG 98 -15.395 -2.119 3.560 764 1HH1 ARG 98 HH11 ARG 98 -16.242 -3.865 6.476 765 2HH1 ARG 98 HH12 ARG 98 -17.847 -3.199 6.556 766 1HH2 ARG 98 HH21 ARG 98 -17.520 -1.272 3.647 767 2HH2 ARG 98 HH22 ARG 98 -18.575 -1.737 4.955 768 H VAL 99 HN VAL 99 -11.392 -6.940 2.769 769 HA VAL 99 HA VAL 99 -12.264 -6.284 0.050 770 HB VAL 99 HB VAL 99 -11.644 -8.989 1.257 771 1HG1 VAL 99 HG11 VAL 99 -13.245 -9.124 -0.579 772 2HG1 VAL 99 HG12 VAL 99 -11.684 -9.798 -1.049 773 3HG1 VAL 99 HG13 VAL 99 -12.156 -8.193 -1.608 774 1HG2 VAL 99 HG21 VAL 99 -9.659 -7.593 1.103 775 2HG2 VAL 99 HG22 VAL 99 -10.012 -7.252 -0.592 776 3HG2 VAL 99 HG23 VAL 99 -9.600 -8.892 -0.088 777 H LYS 100 HN LYS 100 -14.327 -5.650 0.190 778 HA LYS 100 HA LYS 100 -16.218 -7.249 1.771 779 1HB LYS 100 HB2 LYS 100 -16.140 -4.816 2.175 780 2HB LYS 100 HB1 LYS 100 -16.556 -4.531 0.496 781 1HG LYS 100 HG2 LYS 100 -18.675 -5.794 0.884 782 2HG LYS 100 HG1 LYS 100 -18.268 -5.831 2.600 783 1HD LYS 100 HD2 LYS 100 -18.300 -3.419 2.697 784 2HD LYS 100 HD1 LYS 100 -18.571 -3.322 0.956 785 1HE LYS 100 HE2 LYS 100 -20.440 -4.544 2.981 786 2HE LYS 100 HE1 LYS 100 -20.645 -2.982 2.191 787 1HZ LYS 100 HZ1 LYS 100 -20.605 -5.624 0.815 788 2HZ LYS 100 HZ2 LYS 100 -20.805 -4.117 0.061 789 3HZ LYS 100 HZ3 LYS 100 -21.984 -4.690 1.137 790 H ASP 101 HN ASP 101 -17.238 -8.786 0.656 791 HA ASP 101 HA ASP 101 -18.345 -9.893 -0.997 792 1HB ASP 101 HB2 ASP 101 -18.917 -7.057 -1.879 793 2HB ASP 101 HB1 ASP 101 -19.599 -8.465 -2.686 794 H GLY 102 HN GLY 102 -15.504 -9.171 -1.232 795 1HA GLY 102 HA2 GLY 102 -13.891 -9.776 -2.800 796 2HA GLY 102 HA1 GLY 102 -15.149 -9.860 -4.023 797 H VAL 103 HN VAL 103 -15.336 -6.964 -2.285 798 HA VAL 103 HA VAL 103 -13.941 -5.575 -4.488 799 HB VAL 103 HB VAL 103 -16.191 -4.498 -2.774 800 1HG1 VAL 103 HG11 VAL 103 -14.959 -3.412 -5.304 801 2HG1 VAL 103 HG12 VAL 103 -14.691 -2.783 -3.678 802 3HG1 VAL 103 HG13 VAL 103 -16.297 -2.696 -4.403 803 1HG2 VAL 103 HG21 VAL 103 -16.284 -5.566 -5.593 804 2HG2 VAL 103 HG22 VAL 103 -17.614 -4.771 -4.750 805 3HG2 VAL 103 HG23 VAL 103 -17.000 -6.319 -4.169 806 H VAL 104 HN VAL 104 -12.308 -4.239 -3.992 807 HA VAL 104 HA VAL 104 -11.350 -4.162 -1.280 808 HB VAL 104 HB VAL 104 -10.285 -2.651 -3.675 809 1HG1 VAL 104 HG11 VAL 104 -8.984 -3.449 -1.073 810 2HG1 VAL 104 HG12 VAL 104 -9.466 -1.819 -1.542 811 3HG1 VAL 104 HG13 VAL 104 -8.179 -2.645 -2.421 812 1HG2 VAL 104 HG21 VAL 104 -9.532 -5.394 -2.662 813 2HG2 VAL 104 HG22 VAL 104 -8.705 -4.508 -3.945 814 3HG2 VAL 104 HG23 VAL 104 -10.373 -5.035 -4.171 815 H GLN 105 HN GLN 105 -11.969 -2.714 0.183 816 HA GLN 105 HA GLN 105 -12.786 -0.042 -0.761 817 1HB GLN 105 HB2 GLN 105 -13.769 -1.564 1.656 818 2HB GLN 105 HB1 GLN 105 -14.168 0.112 1.303 819 1HG GLN 105 HG2 GLN 105 -15.143 -0.699 -0.868 820 2HG GLN 105 HG1 GLN 105 -14.948 -2.338 -0.244 821 1HE2 GLN 105 HE21 GLN 105 -17.370 -0.886 -0.950 822 2HE2 GLN 105 HE22 GLN 105 -18.339 -0.841 0.484 823 H LEU 106 HN LEU 106 -11.997 1.730 0.294 824 HA LEU 106 HA LEU 106 -9.838 1.214 2.236 825 1HB LEU 106 HB2 LEU 106 -10.115 3.528 0.315 826 2HB LEU 106 HB1 LEU 106 -8.791 3.272 1.433 827 HG LEU 106 HG LEU 106 -9.462 1.524 -0.935 828 1HD1 LEU 106 HD11 LEU 106 -8.532 3.692 -1.560 829 2HD1 LEU 106 HD12 LEU 106 -7.378 2.392 -1.862 830 3HD1 LEU 106 HD13 LEU 106 -7.182 3.437 -0.455 831 1HD2 LEU 106 HD21 LEU 106 -8.520 0.221 0.893 832 2HD2 LEU 106 HD22 LEU 106 -7.189 1.369 1.041 833 3HD2 LEU 106 HD23 LEU 106 -7.350 0.391 -0.417 834 H ARG 107 HN ARG 107 -9.866 2.287 4.150 835 HA ARG 107 HA ARG 107 -11.851 4.448 4.462 836 1HB ARG 107 HB2 ARG 107 -12.444 2.452 5.810 837 2HB ARG 107 HB1 ARG 107 -10.883 2.555 6.618 838 1HG ARG 107 HG2 ARG 107 -11.530 4.826 7.412 839 2HG ARG 107 HG1 ARG 107 -13.133 4.549 6.733 840 1HD ARG 107 HD2 ARG 107 -13.460 3.926 8.918 841 2HD ARG 107 HD1 ARG 107 -13.054 2.379 8.179 842 HE ARG 107 HE ARG 107 -10.840 2.587 9.127 843 1HH1 ARG 107 HH11 ARG 107 -13.290 4.776 10.344 844 2HH1 ARG 107 HH12 ARG 107 -12.450 5.106 11.831 845 1HH2 ARG 107 HH21 ARG 107 -9.728 2.996 11.083 846 2HH2 ARG 107 HH22 ARG 107 -10.408 4.092 12.242 847 H GLY 108 HN GLY 108 -11.112 6.354 5.111 848 1HA GLY 108 HA2 GLY 108 -8.505 6.494 6.457 849 2HA GLY 108 HA1 GLY 108 -8.782 7.475 5.023 850 H GLY 109 HN GLY 109 -8.601 9.442 6.108 851 1HA GLY 109 HA2 GLY 109 -9.327 11.249 7.325 852 2HA GLY 109 HA1 GLY 109 -10.936 10.627 6.989 853 H SER 110 HN SER 110 -8.235 9.524 9.021 854 HA SER 110 HA SER 110 -10.171 8.919 11.121 855 1HB SER 110 HB2 SER 110 -7.246 8.158 10.926 856 2HB SER 110 HB1 SER 110 -8.420 7.530 12.084 857 HG SER 110 HG SER 110 -9.412 7.196 9.642 Start of MODEL 2 1 HA MET 1 HA MET 1 -13.982 7.362 12.429 2 1HB MET 1 HB2 MET 1 -16.715 7.223 11.147 3 2HB MET 1 HB1 MET 1 -16.210 6.175 12.465 4 1HG MET 1 HG2 MET 1 -15.879 8.109 13.898 5 2HG MET 1 HG1 MET 1 -16.339 9.179 12.576 6 1HE MET 1 HE1 MET 1 -18.107 10.311 14.271 7 2HE MET 1 HE2 MET 1 -17.637 9.167 15.528 8 3HE MET 1 HE3 MET 1 -19.341 9.390 15.132 9 H SER 2 HN SER 2 -15.808 6.178 9.599 10 HA SER 2 HA SER 2 -13.685 4.172 9.224 11 1HB SER 2 HB2 SER 2 -15.554 2.756 8.212 12 2HB SER 2 HB1 SER 2 -15.601 2.976 9.961 13 HG SER 2 HG SER 2 -17.655 3.319 9.088 14 H GLN 3 HN GLN 3 -16.458 5.415 7.399 15 HA GLN 3 HA GLN 3 -16.686 6.335 5.343 16 1HB GLN 3 HB2 GLN 3 -13.795 7.086 5.191 17 2HB GLN 3 HB1 GLN 3 -15.213 8.003 4.710 18 1HG GLN 3 HG2 GLN 3 -14.161 7.589 7.495 19 2HG GLN 3 HG1 GLN 3 -14.200 9.087 6.573 20 1HE2 GLN 3 HE21 GLN 3 -16.895 8.699 5.573 21 2HE2 GLN 3 HE22 GLN 3 -17.951 8.952 6.925 22 H TRP 4 HN TRP 4 -16.100 3.584 5.489 23 HA TRP 4 HA TRP 4 -14.088 2.659 3.804 24 1HB TRP 4 HB2 TRP 4 -16.818 1.522 4.427 25 2HB TRP 4 HB1 TRP 4 -15.655 0.683 3.410 26 HD1 TRP 4 HD1 TRP 4 -16.534 1.318 7.005 27 HE1 TRP 4 HE1 TRP 4 -14.894 0.056 8.537 28 HE3 TRP 4 HE3 TRP 4 -13.064 -0.052 3.509 29 HZ2 TRP 4 HZ2 TRP 4 -12.451 -1.338 8.287 30 HZ3 TRP 4 HZ3 TRP 4 -11.105 -1.348 4.240 31 HH2 TRP 4 HH2 TRP 4 -10.803 -1.976 6.578 32 H LYS 5 HN LYS 5 -13.721 3.178 1.779 33 HA LYS 5 HA LYS 5 -16.007 3.669 -0.013 34 1HB LYS 5 HB2 LYS 5 -13.568 5.109 0.453 35 2HB LYS 5 HB1 LYS 5 -13.603 4.555 -1.213 36 1HG LYS 5 HG2 LYS 5 -16.117 5.738 -0.320 37 2HG LYS 5 HG1 LYS 5 -14.747 6.847 -0.271 38 1HD LYS 5 HD2 LYS 5 -15.712 7.084 -2.418 39 2HD LYS 5 HD1 LYS 5 -14.240 6.141 -2.642 40 1HE LYS 5 HE2 LYS 5 -15.976 5.165 -3.968 41 2HE LYS 5 HE1 LYS 5 -15.631 4.079 -2.622 42 1HZ LYS 5 HZ1 LYS 5 -17.843 6.053 -2.551 43 2HZ LYS 5 HZ2 LYS 5 -17.606 4.713 -1.538 44 3HZ LYS 5 HZ3 LYS 5 -18.046 4.483 -3.162 45 H ASP 6 HN ASP 6 -16.400 2.141 -1.450 46 HA ASP 6 HA ASP 6 -14.568 0.029 -2.018 47 1HB ASP 6 HB2 ASP 6 -16.271 -0.620 -3.743 48 2HB ASP 6 HB1 ASP 6 -16.919 -0.454 -2.114 49 H ILE 7 HN ILE 7 -13.042 -0.090 -3.519 50 HA ILE 7 HA ILE 7 -12.749 2.180 -5.367 51 HB ILE 7 HB ILE 7 -10.664 0.093 -4.721 52 1HG1 ILE 7 HG12 ILE 7 -11.302 1.195 -2.636 53 2HG1 ILE 7 HG11 ILE 7 -9.698 1.716 -3.139 54 1HG2 ILE 7 HG21 ILE 7 -10.457 2.871 -5.875 55 2HG2 ILE 7 HG22 ILE 7 -10.285 1.358 -6.764 56 3HG2 ILE 7 HG23 ILE 7 -9.101 1.797 -5.531 57 1HD1 ILE 7 HD11 ILE 7 -12.253 3.263 -3.483 58 2HD1 ILE 7 HD12 ILE 7 -10.649 3.791 -4.000 59 3HD1 ILE 7 HD13 ILE 7 -10.995 3.568 -2.284 60 H CYS 8 HN CYS 8 -11.660 -1.175 -5.494 61 HA CYS 8 HA CYS 8 -13.081 -1.628 -7.999 62 1HB CYS 8 HB2 CYS 8 -10.094 -2.036 -7.678 63 2HB CYS 8 HB1 CYS 8 -11.043 -2.502 -9.085 64 HG CYS 8 HG CYS 8 -11.731 0.587 -8.781 65 H LYS 9 HN LYS 9 -12.492 -4.064 -8.656 66 HA LYS 9 HA LYS 9 -13.182 -5.606 -6.305 67 1HB LYS 9 HB2 LYS 9 -12.958 -6.329 -9.225 68 2HB LYS 9 HB1 LYS 9 -13.348 -7.499 -7.971 69 1HG LYS 9 HG2 LYS 9 -15.348 -6.254 -7.394 70 2HG LYS 9 HG1 LYS 9 -14.944 -5.024 -8.592 71 1HD LYS 9 HD2 LYS 9 -15.415 -7.929 -9.245 72 2HD LYS 9 HD1 LYS 9 -16.655 -6.676 -9.349 73 1HE LYS 9 HE2 LYS 9 -14.062 -6.769 -10.889 74 2HE LYS 9 HE1 LYS 9 -15.672 -7.089 -11.534 75 1HZ LYS 9 HZ1 LYS 9 -14.575 -4.509 -10.567 76 2HZ LYS 9 HZ2 LYS 9 -16.236 -4.759 -10.814 77 3HZ LYS 9 HZ3 LYS 9 -15.159 -4.885 -12.116 78 H ILE 10 HN ILE 10 -12.077 -7.518 -5.666 79 HA ILE 10 HA ILE 10 -9.250 -7.211 -5.536 80 HB ILE 10 HB ILE 10 -10.582 -8.272 -3.735 81 1HG1 ILE 10 HG12 ILE 10 -9.038 -10.160 -3.286 82 2HG1 ILE 10 HG11 ILE 10 -8.449 -10.046 -4.941 83 1HG2 ILE 10 HG21 ILE 10 -11.327 -10.597 -3.975 84 2HG2 ILE 10 HG22 ILE 10 -10.883 -10.555 -5.681 85 3HG2 ILE 10 HG23 ILE 10 -12.170 -9.510 -5.079 86 1HD1 ILE 10 HD11 ILE 10 -8.220 -7.916 -2.831 87 2HD1 ILE 10 HD12 ILE 10 -7.647 -7.781 -4.493 88 3HD1 ILE 10 HD13 ILE 10 -6.925 -8.967 -3.404 89 H ASP 11 HN ASP 11 -11.382 -8.709 -7.717 90 HA ASP 11 HA ASP 11 -9.723 -10.716 -8.817 91 1HB ASP 11 HB2 ASP 11 -11.993 -9.198 -10.120 92 2HB ASP 11 HB1 ASP 11 -11.342 -10.746 -10.646 93 H ASP 12 HN ASP 12 -9.628 -7.344 -9.023 94 HA ASP 12 HA ASP 12 -8.398 -7.227 -11.644 95 1HB ASP 12 HB2 ASP 12 -9.045 -5.151 -9.555 96 2HB ASP 12 HB1 ASP 12 -8.133 -4.765 -11.008 97 H ILE 13 HN ILE 13 -7.444 -7.193 -8.288 98 HA ILE 13 HA ILE 13 -4.695 -6.454 -8.972 99 HB ILE 13 HB ILE 13 -5.797 -7.010 -6.216 100 1HG1 ILE 13 HG12 ILE 13 -5.591 -4.332 -7.616 101 2HG1 ILE 13 HG11 ILE 13 -7.094 -5.208 -7.351 102 1HG2 ILE 13 HG21 ILE 13 -3.396 -5.453 -7.173 103 2HG2 ILE 13 HG22 ILE 13 -3.370 -7.043 -6.409 104 3HG2 ILE 13 HG23 ILE 13 -3.900 -5.632 -5.493 105 1HD1 ILE 13 HD11 ILE 13 -5.270 -4.137 -5.211 106 2HD1 ILE 13 HD12 ILE 13 -6.770 -5.023 -4.935 107 3HD1 ILE 13 HD13 ILE 13 -6.809 -3.442 -5.717 108 H LEU 14 HN LEU 14 -3.362 -8.024 -9.509 109 HA LEU 14 HA LEU 14 -3.879 -10.774 -8.829 110 1HB LEU 14 HB2 LEU 14 -1.528 -9.496 -10.239 111 2HB LEU 14 HB1 LEU 14 -1.834 -11.220 -10.137 112 HG LEU 14 HG LEU 14 -3.572 -9.199 -11.562 113 1HD1 LEU 14 HD11 LEU 14 -1.469 -9.630 -12.713 114 2HD1 LEU 14 HD12 LEU 14 -2.823 -10.343 -13.588 115 3HD1 LEU 14 HD13 LEU 14 -1.761 -11.365 -12.621 116 1HD2 LEU 14 HD21 LEU 14 -4.825 -11.132 -12.359 117 2HD2 LEU 14 HD22 LEU 14 -4.877 -11.034 -10.599 118 3HD2 LEU 14 HD23 LEU 14 -3.816 -12.201 -11.386 119 HA PRO 15 HA PRO 15 -1.323 -11.361 -5.251 120 1HB PRO 15 HB2 PRO 15 0.333 -13.297 -6.774 121 2HB PRO 15 HB1 PRO 15 -0.525 -13.510 -5.245 122 1HG PRO 15 HG2 PRO 15 -1.443 -14.590 -7.501 123 2HG PRO 15 HG1 PRO 15 -2.548 -13.920 -6.290 124 1HD PRO 15 HD2 PRO 15 -1.677 -12.777 -8.905 125 2HD PRO 15 HD1 PRO 15 -3.256 -12.678 -8.101 126 H GLU 16 HN GLU 16 0.320 -10.268 -4.436 127 HA GLU 16 HA GLU 16 2.232 -9.105 -4.179 128 1HB GLU 16 HB2 GLU 16 3.137 -10.922 -6.412 129 2HB GLU 16 HB1 GLU 16 4.213 -9.839 -5.535 130 1HG GLU 16 HG2 GLU 16 4.358 -11.218 -3.797 131 2HG GLU 16 HG1 GLU 16 2.616 -11.494 -3.765 132 H THR 17 HN THR 17 0.191 -7.967 -5.722 133 HA THR 17 HA THR 17 1.751 -6.306 -7.599 134 HB THR 17 HB THR 17 -1.202 -6.857 -7.902 135 HG1 THR 17 HG1 THR 17 -0.342 -8.827 -8.275 136 1HG2 THR 17 HG21 THR 17 -0.368 -4.859 -9.030 137 2HG2 THR 17 HG22 THR 17 -0.814 -6.097 -10.204 138 3HG2 THR 17 HG23 THR 17 0.885 -5.815 -9.821 139 H GLY 18 HN GLY 18 1.463 -4.107 -7.471 140 1HA GLY 18 HA2 GLY 18 -0.473 -3.151 -5.449 141 2HA GLY 18 HA1 GLY 18 1.089 -2.390 -5.733 142 H VAL 19 HN VAL 19 -1.861 -1.556 -6.024 143 HA VAL 19 HA VAL 19 -1.623 -0.525 -8.775 144 HB VAL 19 HB VAL 19 -4.086 -0.458 -8.897 145 1HG1 VAL 19 HG11 VAL 19 -2.897 -2.369 -9.828 146 2HG1 VAL 19 HG12 VAL 19 -4.456 -2.861 -9.166 147 3HG1 VAL 19 HG13 VAL 19 -2.973 -3.189 -8.269 148 1HG2 VAL 19 HG21 VAL 19 -3.985 -1.934 -6.268 149 2HG2 VAL 19 HG22 VAL 19 -5.430 -1.680 -7.246 150 3HG2 VAL 19 HG23 VAL 19 -4.599 -0.301 -6.526 151 H CYS 20 HN CYS 20 -2.732 1.537 -9.147 152 HA CYS 20 HA CYS 20 -2.394 3.307 -6.832 153 1HB CYS 20 HB2 CYS 20 -2.590 4.006 -9.770 154 2HB CYS 20 HB1 CYS 20 -2.193 5.114 -8.461 155 HG CYS 20 HG CYS 20 -0.171 3.366 -10.290 156 H ALA 21 HN ALA 21 -4.159 3.974 -5.809 157 HA ALA 21 HA ALA 21 -6.643 4.308 -7.364 158 1HB ALA 21 HB1 ALA 21 -6.406 3.318 -4.523 159 2HB ALA 21 HB2 ALA 21 -6.799 2.331 -5.931 160 3HB ALA 21 HB3 ALA 21 -7.910 3.595 -5.403 161 H LEU 22 HN LEU 22 -8.230 5.746 -6.062 162 HA LEU 22 HA LEU 22 -6.730 7.922 -4.770 163 1HB LEU 22 HB2 LEU 22 -9.000 8.157 -6.745 164 2HB LEU 22 HB1 LEU 22 -8.390 9.494 -5.792 165 HG LEU 22 HG LEU 22 -6.804 7.949 -7.847 166 1HD1 LEU 22 HD11 LEU 22 -8.556 9.350 -8.833 167 2HD1 LEU 22 HD12 LEU 22 -6.945 9.978 -9.179 168 3HD1 LEU 22 HD13 LEU 22 -7.942 10.742 -7.938 169 1HD2 LEU 22 HD21 LEU 22 -5.121 9.696 -7.528 170 2HD2 LEU 22 HD22 LEU 22 -5.398 8.784 -6.044 171 3HD2 LEU 22 HD23 LEU 22 -6.093 10.395 -6.233 172 H LEU 23 HN LEU 23 -7.537 8.649 -2.893 173 HA LEU 23 HA LEU 23 -10.325 7.988 -2.234 174 1HB LEU 23 HB2 LEU 23 -8.809 6.438 -1.046 175 2HB LEU 23 HB1 LEU 23 -7.983 7.811 -0.334 176 HG LEU 23 HG LEU 23 -10.057 8.439 0.845 177 1HD1 LEU 23 HD11 LEU 23 -11.676 7.519 -0.722 178 2HD1 LEU 23 HD12 LEU 23 -11.936 6.874 0.900 179 3HD1 LEU 23 HD13 LEU 23 -11.147 5.884 -0.327 180 1HD2 LEU 23 HD21 LEU 23 -8.403 7.013 1.944 181 2HD2 LEU 23 HD22 LEU 23 -9.208 5.582 1.298 182 3HD2 LEU 23 HD23 LEU 23 -10.043 6.615 2.459 183 H GLY 24 HN GLY 24 -11.401 9.828 -2.001 184 1HA GLY 24 HA2 GLY 24 -11.876 12.020 -1.511 185 2HA GLY 24 HA1 GLY 24 -10.520 11.986 -0.388 186 H ASP 25 HN ASP 25 -8.632 12.919 -0.948 187 HA ASP 25 HA ASP 25 -8.382 13.912 -3.711 188 1HB ASP 25 HB2 ASP 25 -7.899 15.346 -1.115 189 2HB ASP 25 HB1 ASP 25 -7.017 15.816 -2.565 190 H GLU 26 HN GLU 26 -7.106 11.838 -1.498 191 HA GLU 26 HA GLU 26 -4.315 12.444 -2.181 192 1HB GLU 26 HB2 GLU 26 -5.067 12.252 0.250 193 2HB GLU 26 HB1 GLU 26 -5.259 10.529 -0.048 194 1HG GLU 26 HG2 GLU 26 -2.871 10.425 -0.697 195 2HG GLU 26 HG1 GLU 26 -2.712 12.122 -0.251 196 H GLN 27 HN GLN 27 -2.932 10.834 -2.934 197 HA GLN 27 HA GLN 27 -4.217 8.740 -4.469 198 1HB GLN 27 HB2 GLN 27 -1.294 9.503 -4.226 199 2HB GLN 27 HB1 GLN 27 -1.929 8.289 -5.323 200 1HG GLN 27 HG2 GLN 27 -1.565 10.216 -6.614 201 2HG GLN 27 HG1 GLN 27 -3.306 10.121 -6.369 202 1HE2 GLN 27 HE21 GLN 27 -3.506 12.334 -6.814 203 2HE2 GLN 27 HE22 GLN 27 -3.043 13.536 -5.660 204 H VAL 28 HN VAL 28 -4.406 6.695 -3.806 205 HA VAL 28 HA VAL 28 -2.823 5.846 -1.472 206 HB VAL 28 HB VAL 28 -5.565 4.856 -2.280 207 1HG1 VAL 28 HG11 VAL 28 -4.232 3.175 -1.111 208 2HG1 VAL 28 HG12 VAL 28 -5.570 3.737 -0.111 209 3HG1 VAL 28 HG13 VAL 28 -3.933 4.315 0.200 210 1HG2 VAL 28 HG21 VAL 28 -6.390 6.062 -0.320 211 2HG2 VAL 28 HG22 VAL 28 -5.663 7.161 -1.491 212 3HG2 VAL 28 HG23 VAL 28 -4.775 6.709 -0.035 213 H ALA 29 HN ALA 29 -1.582 4.096 -1.684 214 HA ALA 29 HA ALA 29 -1.682 2.614 -4.214 215 1HB ALA 29 HB1 ALA 29 0.483 3.550 -3.572 216 2HB ALA 29 HB2 ALA 29 0.537 1.786 -3.583 217 3HB ALA 29 HB3 ALA 29 0.426 2.655 -2.053 218 H ILE 30 HN ILE 30 -2.700 0.731 -4.247 219 HA ILE 30 HA ILE 30 -3.179 -0.640 -1.687 220 HB ILE 30 HB ILE 30 -4.628 -1.034 -4.314 221 1HG1 ILE 30 HG12 ILE 30 -5.519 0.424 -1.812 222 2HG1 ILE 30 HG11 ILE 30 -5.046 1.195 -3.322 223 1HG2 ILE 30 HG21 ILE 30 -6.250 -2.282 -2.937 224 2HG2 ILE 30 HG22 ILE 30 -5.186 -2.090 -1.543 225 3HG2 ILE 30 HG23 ILE 30 -4.650 -3.027 -2.939 226 1HD1 ILE 30 HD11 ILE 30 -7.465 1.103 -3.072 227 2HD1 ILE 30 HD12 ILE 30 -7.393 -0.655 -2.959 228 3HD1 ILE 30 HD13 ILE 30 -6.929 0.153 -4.457 229 H PHE 31 HN PHE 31 -1.825 -2.228 -1.294 230 HA PHE 31 HA PHE 31 -0.683 -3.715 -3.558 231 1HB PHE 31 HB2 PHE 31 0.336 -3.358 -0.730 232 2HB PHE 31 HB1 PHE 31 1.082 -4.408 -1.928 233 HD1 PHE 31 HD1 PHE 31 0.628 -0.997 -0.789 234 HD2 PHE 31 HD2 PHE 31 2.205 -3.454 -3.883 235 HE1 PHE 31 HE1 PHE 31 1.985 0.891 -1.593 236 HE2 PHE 31 HE2 PHE 31 3.562 -1.570 -4.695 237 HZ PHE 31 HZ PHE 31 3.453 0.606 -3.549 238 H ARG 32 HN ARG 32 -1.256 -5.762 -3.831 239 HA ARG 32 HA ARG 32 -2.444 -7.207 -1.566 240 1HB ARG 32 HB2 ARG 32 -3.868 -7.074 -3.599 241 2HB ARG 32 HB1 ARG 32 -2.589 -7.846 -4.526 242 1HG ARG 32 HG2 ARG 32 -2.790 -9.836 -3.072 243 2HG ARG 32 HG1 ARG 32 -4.147 -9.062 -2.254 244 1HD ARG 32 HD2 ARG 32 -5.327 -8.937 -4.423 245 2HD ARG 32 HD1 ARG 32 -3.991 -9.812 -5.170 246 HE ARG 32 HE ARG 32 -5.048 -11.220 -2.930 247 1HH1 ARG 32 HH11 ARG 32 -5.654 -10.498 -6.305 248 2HH1 ARG 32 HH12 ARG 32 -6.582 -11.941 -6.571 249 1HH2 ARG 32 HH21 ARG 32 -6.272 -13.105 -3.279 250 2HH2 ARG 32 HH22 ARG 32 -6.925 -13.434 -4.856 251 HA PRO 33 HA PRO 33 1.567 -9.252 -1.952 252 1HB PRO 33 HB2 PRO 33 1.620 -9.715 0.815 253 2HB PRO 33 HB1 PRO 33 2.430 -8.412 -0.048 254 1HG PRO 33 HG2 PRO 33 0.282 -8.172 1.772 255 2HG PRO 33 HG1 PRO 33 0.970 -6.896 0.758 256 1HD PRO 33 HD2 PRO 33 -1.497 -8.483 0.373 257 2HD PRO 33 HD1 PRO 33 -1.084 -6.867 -0.225 258 H TYR 34 HN TYR 34 -1.313 -10.278 -0.219 259 HA TYR 34 HA TYR 34 -0.386 -13.031 -0.105 260 1HB TYR 34 HB2 TYR 34 -2.839 -11.636 0.959 261 2HB TYR 34 HB1 TYR 34 -2.663 -13.385 1.002 262 HD1 TYR 34 HD1 TYR 34 -0.714 -14.365 2.294 263 HD2 TYR 34 HD2 TYR 34 -1.872 -10.286 2.627 264 HE1 TYR 34 HE1 TYR 34 0.479 -14.208 4.438 265 HE2 TYR 34 HE2 TYR 34 -0.678 -10.116 4.770 266 HH TYR 34 HH TYR 34 0.071 -11.623 6.586 267 H HIS 35 HN HIS 35 -1.825 -14.758 -0.812 268 HA HIS 35 HA HIS 35 -2.955 -14.180 -3.437 269 1HB HIS 35 HB2 HIS 35 -2.431 -16.758 -1.941 270 2HB HIS 35 HB1 HIS 35 -3.236 -16.699 -3.506 271 HD1 HIS 35 HD1 HIS 35 0.119 -16.066 -1.899 272 HD2 HIS 35 HD2 HIS 35 -1.573 -16.390 -5.684 273 HE1 HIS 35 HE1 HIS 35 2.046 -16.034 -3.511 274 HE2 HIS 35 HE2 HIS 35 0.996 -16.080 -5.793 275 H SER 36 HN SER 36 -3.922 -14.164 -0.309 276 HA SER 36 HA SER 36 -6.635 -15.105 -0.748 277 1HB SER 36 HB2 SER 36 -6.879 -14.542 1.686 278 2HB SER 36 HB1 SER 36 -5.587 -15.698 1.356 279 HG SER 36 HG SER 36 -4.694 -14.209 2.691 280 H ASP 37 HN ASP 37 -7.861 -13.236 1.055 281 HA ASP 37 HA ASP 37 -8.216 -11.018 -0.799 282 1HB ASP 37 HB2 ASP 37 -10.228 -10.515 0.505 283 2HB ASP 37 HB1 ASP 37 -10.209 -12.209 0.028 284 H GLN 38 HN GLN 38 -6.093 -11.545 1.534 285 HA GLN 38 HA GLN 38 -6.401 -9.166 3.121 286 1HB GLN 38 HB2 GLN 38 -4.216 -11.229 2.900 287 2HB GLN 38 HB1 GLN 38 -4.075 -9.812 3.932 288 1HG GLN 38 HG2 GLN 38 -5.955 -10.494 5.237 289 2HG GLN 38 HG1 GLN 38 -6.303 -11.821 4.131 290 1HE2 GLN 38 HE21 GLN 38 -5.727 -11.803 7.011 291 2HE2 GLN 38 HE22 GLN 38 -4.384 -12.872 7.220 292 H VAL 39 HN VAL 39 -6.075 -7.249 2.289 293 HA VAL 39 HA VAL 39 -3.721 -6.800 0.579 294 HB VAL 39 HB VAL 39 -4.998 -5.014 -0.587 295 1HG1 VAL 39 HG11 VAL 39 -4.776 -7.206 -1.609 296 2HG1 VAL 39 HG12 VAL 39 -6.354 -6.509 -1.982 297 3HG1 VAL 39 HG13 VAL 39 -6.213 -7.769 -0.755 298 1HG2 VAL 39 HG21 VAL 39 -6.679 -4.574 1.133 299 2HG2 VAL 39 HG22 VAL 39 -7.373 -6.176 0.874 300 3HG2 VAL 39 HG23 VAL 39 -7.442 -4.965 -0.409 301 H PHE 40 HN PHE 40 -2.865 -4.599 0.691 302 HA PHE 40 HA PHE 40 -3.589 -3.164 3.154 303 1HB PHE 40 HB2 PHE 40 -0.776 -3.851 2.266 304 2HB PHE 40 HB1 PHE 40 -1.172 -2.771 3.598 305 HD1 PHE 40 HD1 PHE 40 -0.934 -6.226 2.500 306 HD2 PHE 40 HD2 PHE 40 -2.161 -3.656 5.662 307 HE1 PHE 40 HE1 PHE 40 -1.013 -8.152 4.031 308 HE2 PHE 40 HE2 PHE 40 -2.237 -5.576 7.197 309 HZ PHE 40 HZ PHE 40 -1.663 -7.827 6.383 310 H ALA 41 HN ALA 41 -3.240 -0.905 3.083 311 HA ALA 41 HA ALA 41 -2.535 0.159 0.438 312 1HB ALA 41 HB1 ALA 41 -4.971 0.049 0.608 313 2HB ALA 41 HB2 ALA 41 -4.401 1.718 0.544 314 3HB ALA 41 HB3 ALA 41 -4.911 1.018 2.081 315 H ILE 42 HN ILE 42 -1.328 1.963 0.440 316 HA ILE 42 HA ILE 42 -1.030 3.488 2.934 317 HB ILE 42 HB ILE 42 1.425 3.702 2.473 318 1HG1 ILE 42 HG12 ILE 42 0.932 1.369 0.607 319 2HG1 ILE 42 HG11 ILE 42 1.367 3.001 0.109 320 1HG2 ILE 42 HG21 ILE 42 2.029 1.531 3.448 321 2HG2 ILE 42 HG22 ILE 42 0.414 0.927 3.079 322 3HG2 ILE 42 HG23 ILE 42 0.620 2.243 4.234 323 1HD1 ILE 42 HD11 ILE 42 3.287 1.517 0.053 324 2HD1 ILE 42 HD12 ILE 42 3.067 1.150 1.764 325 3HD1 ILE 42 HD13 ILE 42 3.504 2.783 1.262 326 H SER 43 HN SER 43 0.395 5.541 2.370 327 HA SER 43 HA SER 43 -0.944 7.001 0.357 328 1HB SER 43 HB2 SER 43 0.914 8.695 0.791 329 2HB SER 43 HB1 SER 43 -0.041 8.221 2.194 330 HG SER 43 HG SER 43 2.435 7.030 1.481 331 H ASN 44 HN ASN 44 -0.594 7.112 -1.781 332 HA ASN 44 HA ASN 44 1.518 5.450 -2.890 333 1HB ASN 44 HB2 ASN 44 -0.852 5.385 -3.724 334 2HB ASN 44 HB1 ASN 44 -0.615 7.003 -4.370 335 1HD2 ASN 44 HD21 ASN 44 -0.951 6.375 -6.475 336 2HD2 ASN 44 HD22 ASN 44 0.175 5.411 -7.363 337 H ILE 45 HN ILE 45 1.484 8.522 -1.867 338 HA ILE 45 HA ILE 45 3.548 9.281 -3.829 339 HB ILE 45 HB ILE 45 1.626 11.175 -2.446 340 1HG1 ILE 45 HG12 ILE 45 0.610 9.923 -4.330 341 2HG1 ILE 45 HG11 ILE 45 0.735 11.649 -4.653 342 1HG2 ILE 45 HG21 ILE 45 3.856 11.755 -4.394 343 2HG2 ILE 45 HG22 ILE 45 3.846 12.147 -2.676 344 3HG2 ILE 45 HG23 ILE 45 2.705 12.935 -3.765 345 1HD1 ILE 45 HD11 ILE 45 1.303 10.347 -6.615 346 2HD1 ILE 45 HD12 ILE 45 2.571 9.513 -5.717 347 3HD1 ILE 45 HD13 ILE 45 2.707 11.241 -6.035 348 H ASP 46 HN ASP 46 5.465 9.246 -2.824 349 HA ASP 46 HA ASP 46 5.662 9.619 0.035 350 1HB ASP 46 HB2 ASP 46 7.302 8.139 -0.518 351 2HB ASP 46 HB1 ASP 46 7.494 8.791 -2.142 352 HA PRO 47 HA PRO 47 6.209 13.986 -0.533 353 1HB PRO 47 HB2 PRO 47 5.723 14.521 2.142 354 2HB PRO 47 HB1 PRO 47 4.487 14.339 0.897 355 1HG PRO 47 HG2 PRO 47 5.008 12.623 3.121 356 2HG PRO 47 HG1 PRO 47 3.792 12.420 1.854 357 1HD PRO 47 HD2 PRO 47 6.444 11.153 2.139 358 2HD PRO 47 HD1 PRO 47 5.014 10.596 1.243 359 H PHE 48 HN PHE 48 8.259 11.903 1.152 360 HA PHE 48 HA PHE 48 9.789 14.040 2.429 361 1HB PHE 48 HB2 PHE 48 10.320 11.064 2.475 362 2HB PHE 48 HB1 PHE 48 11.019 12.285 3.537 363 HD1 PHE 48 HD1 PHE 48 9.127 13.778 4.746 364 HD2 PHE 48 HD2 PHE 48 8.653 9.778 3.367 365 HE1 PHE 48 HE1 PHE 48 7.265 13.458 6.322 366 HE2 PHE 48 HE2 PHE 48 6.792 9.453 4.941 367 HZ PHE 48 HZ PHE 48 6.094 11.295 6.418 368 H PHE 49 HN PHE 49 10.385 11.330 0.203 369 HA PHE 49 HA PHE 49 12.851 12.619 -0.708 370 1HB PHE 49 HB2 PHE 49 12.903 10.202 -0.253 371 2HB PHE 49 HB1 PHE 49 11.604 9.945 -1.410 372 HD1 PHE 49 HD1 PHE 49 15.105 11.129 -1.118 373 HD2 PHE 49 HD2 PHE 49 12.072 9.549 -3.651 374 HE1 PHE 49 HE1 PHE 49 16.767 10.806 -2.902 375 HE2 PHE 49 HE2 PHE 49 13.729 9.226 -5.440 376 HZ PHE 49 HZ PHE 49 16.079 9.851 -5.064 377 H GLU 50 HN GLU 50 9.600 12.369 -1.415 378 HA GLU 50 HA GLU 50 8.238 13.073 -3.044 379 1HB GLU 50 HB2 GLU 50 10.713 14.507 -3.982 380 2HB GLU 50 HB1 GLU 50 9.156 14.649 -4.793 381 1HG GLU 50 HG2 GLU 50 8.167 15.457 -2.690 382 2HG GLU 50 HG1 GLU 50 9.762 15.393 -1.942 383 H SER 51 HN SER 51 9.091 10.568 -3.185 384 HA SER 51 HA SER 51 9.339 10.093 -6.074 385 1HB SER 51 HB2 SER 51 10.792 8.745 -4.550 386 2HB SER 51 HB1 SER 51 9.341 8.099 -3.783 387 HG SER 51 HG SER 51 9.099 6.777 -5.389 388 H SER 52 HN SER 52 7.562 9.470 -7.217 389 HA SER 52 HA SER 52 5.073 9.980 -5.902 390 1HB SER 52 HB2 SER 52 5.620 9.207 -8.775 391 2HB SER 52 HB1 SER 52 4.087 9.812 -8.145 392 HG SER 52 HG SER 52 6.552 11.224 -7.996 393 H VAL 53 HN VAL 53 4.839 7.576 -8.357 394 HA VAL 53 HA VAL 53 3.102 6.108 -6.678 395 HB VAL 53 HB VAL 53 2.934 4.510 -8.596 396 1HG1 VAL 53 HG11 VAL 53 2.615 7.438 -9.253 397 2HG1 VAL 53 HG12 VAL 53 1.447 6.432 -8.396 398 3HG1 VAL 53 HG13 VAL 53 1.821 6.104 -10.088 399 1HG2 VAL 53 HG21 VAL 53 3.988 5.137 -10.728 400 2HG2 VAL 53 HG22 VAL 53 5.189 4.737 -9.500 401 3HG2 VAL 53 HG23 VAL 53 4.870 6.424 -9.906 402 H LEU 54 HN LEU 54 3.478 4.544 -5.324 403 HA LEU 54 HA LEU 54 6.110 3.310 -5.203 404 1HB LEU 54 HB2 LEU 54 3.725 2.976 -3.380 405 2HB LEU 54 HB1 LEU 54 5.351 2.400 -3.066 406 HG LEU 54 HG LEU 54 4.492 5.287 -3.249 407 1HD1 LEU 54 HD11 LEU 54 5.397 3.616 -0.913 408 2HD1 LEU 54 HD12 LEU 54 3.762 4.210 -1.204 409 3HD1 LEU 54 HD13 LEU 54 5.068 5.348 -0.872 410 1HD2 LEU 54 HD21 LEU 54 6.775 5.824 -2.583 411 2HD2 LEU 54 HD22 LEU 54 6.752 4.970 -4.127 412 3HD2 LEU 54 HD23 LEU 54 7.205 4.115 -2.651 413 H SER 55 HN SER 55 3.295 2.746 -6.771 414 HA SER 55 HA SER 55 2.873 -0.020 -6.548 415 1HB SER 55 HB2 SER 55 1.179 1.284 -7.582 416 2HB SER 55 HB1 SER 55 2.313 1.979 -8.740 417 HG SER 55 HG SER 55 1.182 -0.611 -8.673 418 H ARG 56 HN ARG 56 5.361 1.786 -8.076 419 HA ARG 56 HA ARG 56 6.166 -0.373 -9.844 420 1HB ARG 56 HB2 ARG 56 7.155 2.425 -9.383 421 2HB ARG 56 HB1 ARG 56 8.106 1.270 -10.304 422 1HG ARG 56 HG2 ARG 56 5.330 2.234 -10.953 423 2HG ARG 56 HG1 ARG 56 6.822 2.641 -11.803 424 1HD ARG 56 HD2 ARG 56 7.068 0.122 -12.189 425 2HD ARG 56 HD1 ARG 56 5.378 0.008 -11.703 426 HE ARG 56 HE ARG 56 6.119 1.828 -13.880 427 1HH1 ARG 56 HH11 ARG 56 4.446 -1.064 -12.805 428 2HH1 ARG 56 HH12 ARG 56 3.632 -1.303 -14.323 429 1HH2 ARG 56 HH21 ARG 56 5.045 1.516 -15.857 430 2HH2 ARG 56 HH22 ARG 56 3.986 0.155 -16.064 431 H GLY 57 HN GLY 57 6.203 -1.127 -7.167 432 1HA GLY 57 HA2 GLY 57 9.091 -1.528 -6.765 433 2HA GLY 57 HA1 GLY 57 8.069 -1.059 -5.414 434 H LEU 58 HN LEU 58 9.551 -3.365 -5.278 435 HA LEU 58 HA LEU 58 7.743 -5.546 -6.033 436 1HB LEU 58 HB2 LEU 58 9.677 -7.026 -5.647 437 2HB LEU 58 HB1 LEU 58 9.993 -5.797 -6.854 438 HG LEU 58 HG LEU 58 11.011 -4.539 -4.721 439 1HD1 LEU 58 HD11 LEU 58 10.496 -6.311 -3.143 440 2HD1 LEU 58 HD12 LEU 58 12.241 -6.138 -3.326 441 3HD1 LEU 58 HD13 LEU 58 11.400 -7.470 -4.119 442 1HD2 LEU 58 HD21 LEU 58 12.171 -4.970 -6.816 443 2HD2 LEU 58 HD22 LEU 58 12.431 -6.650 -6.340 444 3HD2 LEU 58 HD23 LEU 58 13.204 -5.346 -5.436 445 H ILE 59 HN ILE 59 6.925 -6.981 -4.564 446 HA ILE 59 HA ILE 59 7.047 -6.106 -1.771 447 HB ILE 59 HB ILE 59 5.109 -8.033 -3.069 448 1HG1 ILE 59 HG12 ILE 59 4.714 -5.129 -2.304 449 2HG1 ILE 59 HG11 ILE 59 4.911 -5.722 -3.950 450 1HG2 ILE 59 HG21 ILE 59 3.786 -7.677 -1.015 451 2HG2 ILE 59 HG22 ILE 59 5.114 -6.722 -0.354 452 3HG2 ILE 59 HG23 ILE 59 5.347 -8.436 -0.698 453 1HD1 ILE 59 HD11 ILE 59 2.652 -6.404 -2.081 454 2HD1 ILE 59 HD12 ILE 59 2.849 -7.013 -3.724 455 3HD1 ILE 59 HD13 ILE 59 2.581 -5.291 -3.448 456 H ALA 60 HN ALA 60 8.145 -7.255 -0.309 457 HA ALA 60 HA ALA 60 8.717 -10.083 -0.880 458 1HB ALA 60 HB1 ALA 60 10.750 -8.065 0.063 459 2HB ALA 60 HB2 ALA 60 10.672 -8.775 -1.550 460 3HB ALA 60 HB3 ALA 60 11.026 -9.793 -0.155 461 H GLU 61 HN GLU 61 9.480 -11.257 1.044 462 HA GLU 61 HA GLU 61 8.118 -10.301 3.462 463 1HB GLU 61 HB2 GLU 61 7.693 -12.605 2.268 464 2HB GLU 61 HB1 GLU 61 9.178 -13.089 3.070 465 1HG GLU 61 HG2 GLU 61 6.798 -11.973 4.528 466 2HG GLU 61 HG1 GLU 61 7.048 -13.693 4.242 467 H HIS 62 HN HIS 62 9.379 -9.504 5.055 468 HA HIS 62 HA HIS 62 12.268 -9.832 4.794 469 1HB HIS 62 HB2 HIS 62 11.125 -7.569 5.140 470 2HB HIS 62 HB1 HIS 62 10.858 -8.080 6.804 471 HD1 HIS 62 HD1 HIS 62 12.469 -6.602 8.055 472 HD2 HIS 62 HD2 HIS 62 14.233 -8.474 4.786 473 HE1 HIS 62 HE1 HIS 62 14.922 -6.061 8.205 474 HE2 HIS 62 HE2 HIS 62 15.951 -7.104 6.149 475 H GLN 63 HN GLN 63 10.156 -9.681 7.669 476 HA GLN 63 HA GLN 63 11.038 -12.298 8.499 477 1HB GLN 63 HB2 GLN 63 11.361 -10.840 10.879 478 2HB GLN 63 HB1 GLN 63 12.601 -11.678 9.963 479 1HG GLN 63 HG2 GLN 63 13.574 -9.661 9.966 480 2HG GLN 63 HG1 GLN 63 12.515 -9.379 8.591 481 1HE2 GLN 63 HE21 GLN 63 10.133 -9.252 10.378 482 2HE2 GLN 63 HE22 GLN 63 10.223 -7.690 11.120 483 H GLY 64 HN GLY 64 8.852 -12.734 8.144 484 1HA GLY 64 HA2 GLY 64 6.764 -13.230 8.987 485 2HA GLY 64 HA1 GLY 64 7.210 -12.406 10.476 486 H GLU 65 HN GLU 65 7.715 -10.593 7.638 487 HA GLU 65 HA GLU 65 5.143 -9.264 7.769 488 1HB GLU 65 HB2 GLU 65 7.689 -7.902 8.626 489 2HB GLU 65 HB1 GLU 65 6.281 -7.009 8.069 490 1HG GLU 65 HG2 GLU 65 4.965 -8.127 9.865 491 2HG GLU 65 HG1 GLU 65 6.477 -8.793 10.479 492 H LEU 66 HN LEU 66 4.752 -7.868 6.061 493 HA LEU 66 HA LEU 66 6.345 -8.533 3.709 494 1HB LEU 66 HB2 LEU 66 3.574 -7.365 3.962 495 2HB LEU 66 HB1 LEU 66 4.353 -7.832 2.458 496 HG LEU 66 HG LEU 66 3.918 -9.829 4.658 497 1HD1 LEU 66 HD11 LEU 66 1.987 -9.059 2.482 498 2HD1 LEU 66 HD12 LEU 66 1.748 -8.873 4.219 499 3HD1 LEU 66 HD13 LEU 66 1.844 -10.486 3.509 500 1HD2 LEU 66 HD21 LEU 66 4.219 -10.066 1.665 501 2HD2 LEU 66 HD22 LEU 66 3.985 -11.408 2.786 502 3HD2 LEU 66 HD23 LEU 66 5.455 -10.438 2.868 503 H TRP 67 HN TRP 67 7.643 -7.112 2.849 504 HA TRP 67 HA TRP 67 7.177 -4.244 3.344 505 1HB TRP 67 HB2 TRP 67 9.780 -5.776 3.202 506 2HB TRP 67 HB1 TRP 67 9.695 -4.024 3.086 507 HD1 TRP 67 HD1 TRP 67 8.650 -6.783 5.626 508 HE1 TRP 67 HE1 TRP 67 8.997 -5.831 7.996 509 HE3 TRP 67 HE3 TRP 67 10.108 -2.044 4.392 510 HZ2 TRP 67 HZ2 TRP 67 9.801 -3.395 9.179 511 HZ3 TRP 67 HZ3 TRP 67 10.643 -0.464 6.198 512 HH2 TRP 67 HH2 TRP 67 10.487 -1.126 8.541 513 H VAL 68 HN VAL 68 7.166 -2.942 1.579 514 HA VAL 68 HA VAL 68 7.696 -4.233 -1.001 515 HB VAL 68 HB VAL 68 5.465 -3.312 -0.878 516 1HG1 VAL 68 HG11 VAL 68 5.769 -1.635 0.839 517 2HG1 VAL 68 HG12 VAL 68 5.056 -0.907 -0.601 518 3HG1 VAL 68 HG13 VAL 68 6.768 -0.670 -0.248 519 1HG2 VAL 68 HG21 VAL 68 5.499 -1.827 -2.820 520 2HG2 VAL 68 HG22 VAL 68 6.598 -3.190 -3.027 521 3HG2 VAL 68 HG23 VAL 68 7.235 -1.598 -2.614 522 H ALA 69 HN ALA 69 9.599 -3.888 -1.836 523 HA ALA 69 HA ALA 69 11.118 -1.514 -1.036 524 1HB ALA 69 HB1 ALA 69 12.205 -3.681 -0.702 525 2HB ALA 69 HB2 ALA 69 13.079 -2.702 -1.882 526 3HB ALA 69 HB3 ALA 69 12.051 -4.027 -2.425 527 H SER 70 HN SER 70 10.995 0.158 -2.338 528 HA SER 70 HA SER 70 10.228 -0.189 -5.116 529 1HB SER 70 HB2 SER 70 10.837 2.358 -3.593 530 2HB SER 70 HB1 SER 70 10.010 2.230 -5.147 531 HG SER 70 HG SER 70 8.880 0.704 -3.172 532 HA PRO 71 HA PRO 71 14.589 -0.284 -6.254 533 1HB PRO 71 HB2 PRO 71 14.154 -0.579 -8.925 534 2HB PRO 71 HB1 PRO 71 14.049 -1.917 -7.776 535 1HG PRO 71 HG2 PRO 71 11.856 -0.263 -8.967 536 2HG PRO 71 HG1 PRO 71 11.926 -2.018 -8.718 537 1HD PRO 71 HD2 PRO 71 10.571 -0.385 -7.054 538 2HD PRO 71 HD1 PRO 71 11.391 -1.851 -6.480 539 H LEU 72 HN LEU 72 12.272 2.024 -6.763 540 HA LEU 72 HA LEU 72 13.412 3.822 -8.562 541 1HB LEU 72 HB2 LEU 72 11.847 4.398 -6.040 542 2HB LEU 72 HB1 LEU 72 12.129 5.538 -7.341 543 HG LEU 72 HG LEU 72 10.620 2.948 -7.686 544 1HD1 LEU 72 HD11 LEU 72 8.598 4.330 -7.701 545 2HD1 LEU 72 HD12 LEU 72 9.566 5.741 -7.270 546 3HD1 LEU 72 HD13 LEU 72 9.422 4.392 -6.143 547 1HD2 LEU 72 HD21 LEU 72 11.623 3.822 -9.729 548 2HD2 LEU 72 HD22 LEU 72 10.874 5.392 -9.432 549 3HD2 LEU 72 HD23 LEU 72 9.868 3.983 -9.769 550 H LYS 73 HN LYS 73 14.024 3.237 -5.134 551 HA LYS 73 HA LYS 73 16.669 4.357 -5.467 552 1HB LYS 73 HB2 LYS 73 15.025 6.203 -4.645 553 2HB LYS 73 HB1 LYS 73 15.099 5.354 -3.107 554 1HG LYS 73 HG2 LYS 73 16.783 6.815 -2.743 555 2HG LYS 73 HG1 LYS 73 17.718 5.579 -3.589 556 1HD LYS 73 HD2 LYS 73 16.460 8.001 -4.874 557 2HD LYS 73 HD1 LYS 73 18.161 7.850 -4.444 558 1HE LYS 73 HE2 LYS 73 18.586 6.329 -6.126 559 2HE LYS 73 HE1 LYS 73 16.905 5.802 -6.217 560 1HZ LYS 73 HZ1 LYS 73 17.613 7.164 -8.133 561 2HZ LYS 73 HZ2 LYS 73 17.872 8.476 -7.086 562 3HZ LYS 73 HZ3 LYS 73 16.311 7.844 -7.288 563 H LYS 74 HN LYS 74 15.454 4.165 -2.259 564 HA LYS 74 HA LYS 74 16.188 1.356 -1.944 565 1HB LYS 74 HB2 LYS 74 17.543 3.628 -0.472 566 2HB LYS 74 HB1 LYS 74 17.624 1.951 0.050 567 1HG LYS 74 HG2 LYS 74 18.664 1.369 -2.113 568 2HG LYS 74 HG1 LYS 74 18.661 3.080 -2.541 569 1HD LYS 74 HD2 LYS 74 20.083 1.850 -0.181 570 2HD LYS 74 HD1 LYS 74 20.843 2.361 -1.688 571 1HE LYS 74 HE2 LYS 74 19.978 4.673 -1.222 572 2HE LYS 74 HE1 LYS 74 19.486 4.094 0.368 573 1HZ LYS 74 HZ1 LYS 74 21.632 5.142 0.506 574 2HZ LYS 74 HZ2 LYS 74 22.249 4.142 -0.713 575 3HZ LYS 74 HZ3 LYS 74 21.814 3.478 0.787 576 H GLN 75 HN GLN 75 13.768 2.959 -1.820 577 HA GLN 75 HA GLN 75 13.088 3.219 0.966 578 1HB GLN 75 HB2 GLN 75 11.838 3.918 -1.622 579 2HB GLN 75 HB1 GLN 75 10.735 3.572 -0.297 580 1HG GLN 75 HG2 GLN 75 11.206 5.946 -0.469 581 2HG GLN 75 HG1 GLN 75 11.781 5.284 1.058 582 1HE2 GLN 75 HE21 GLN 75 13.250 6.870 1.426 583 2HE2 GLN 75 HE22 GLN 75 14.690 7.077 0.481 584 H ARG 76 HN ARG 76 12.663 1.467 2.108 585 HA ARG 76 HA ARG 76 11.010 -0.650 0.901 586 1HB ARG 76 HB2 ARG 76 12.366 -0.905 3.576 587 2HB ARG 76 HB1 ARG 76 11.827 -2.178 2.496 588 1HG ARG 76 HG2 ARG 76 14.052 -2.345 2.138 589 2HG ARG 76 HG1 ARG 76 13.700 -1.099 0.938 590 1HD ARG 76 HD2 ARG 76 14.343 0.633 2.512 591 2HD ARG 76 HD1 ARG 76 14.613 -0.575 3.764 592 HE ARG 76 HE ARG 76 16.194 -0.745 1.301 593 1HH1 ARG 76 HH11 ARG 76 16.025 -0.039 4.728 594 2HH1 ARG 76 HH12 ARG 76 17.750 -0.004 4.946 595 1HH2 ARG 76 HH21 ARG 76 18.461 -0.669 1.572 596 2HH2 ARG 76 HH22 ARG 76 19.130 -0.340 3.141 597 H PHE 77 HN PHE 77 8.902 -0.380 1.313 598 HA PHE 77 HA PHE 77 8.143 1.088 3.734 599 1HB PHE 77 HB2 PHE 77 6.611 0.525 1.195 600 2HB PHE 77 HB1 PHE 77 5.916 1.316 2.606 601 HD1 PHE 77 HD1 PHE 77 7.884 1.721 -0.364 602 HD2 PHE 77 HD2 PHE 77 6.889 3.490 3.373 603 HE1 PHE 77 HE1 PHE 77 8.712 3.888 -1.174 604 HE2 PHE 77 HE2 PHE 77 7.711 5.664 2.570 605 HZ PHE 77 HZ PHE 77 8.623 5.866 0.292 606 H ARG 78 HN ARG 78 6.968 0.248 5.287 607 HA ARG 78 HA ARG 78 6.631 -2.615 5.401 608 1HB ARG 78 HB2 ARG 78 7.484 -1.108 7.245 609 2HB ARG 78 HB1 ARG 78 5.846 -0.506 7.410 610 1HG ARG 78 HG2 ARG 78 5.083 -2.739 8.018 611 2HG ARG 78 HG1 ARG 78 6.740 -3.342 7.855 612 1HD ARG 78 HD2 ARG 78 7.427 -1.604 9.529 613 2HD ARG 78 HD1 ARG 78 5.715 -1.280 9.795 614 HE ARG 78 HE ARG 78 6.272 -4.037 10.112 615 1HH1 ARG 78 HH11 ARG 78 6.465 -0.933 11.713 616 2HH1 ARG 78 HH12 ARG 78 6.676 -1.617 13.293 617 1HH2 ARG 78 HH21 ARG 78 6.594 -4.949 12.179 618 2HH2 ARG 78 HH22 ARG 78 6.747 -3.900 13.562 619 H LEU 79 HN LEU 79 4.848 -3.514 4.508 620 HA LEU 79 HA LEU 79 2.499 -1.978 3.960 621 1HB LEU 79 HB2 LEU 79 2.991 -4.950 3.780 622 2HB LEU 79 HB1 LEU 79 1.561 -4.138 3.174 623 HG LEU 79 HG LEU 79 4.381 -3.714 2.185 624 1HD1 LEU 79 HD11 LEU 79 3.565 -4.778 0.142 625 2HD1 LEU 79 HD12 LEU 79 2.007 -5.069 0.916 626 3HD1 LEU 79 HD13 LEU 79 3.457 -5.865 1.527 627 1HD2 LEU 79 HD21 LEU 79 1.770 -2.547 1.226 628 2HD2 LEU 79 HD22 LEU 79 3.342 -2.340 0.453 629 3HD2 LEU 79 HD23 LEU 79 3.053 -1.671 2.059 630 H SER 80 HN SER 80 3.514 -4.033 6.542 631 HA SER 80 HA SER 80 0.878 -4.591 7.530 632 1HB SER 80 HB2 SER 80 2.314 -5.453 9.523 633 2HB SER 80 HB1 SER 80 2.413 -6.291 7.973 634 HG SER 80 HG SER 80 4.420 -5.367 9.295 635 H ASP 81 HN ASP 81 2.812 -1.867 7.688 636 HA ASP 81 HA ASP 81 1.336 -0.817 9.954 637 1HB ASP 81 HB2 ASP 81 3.123 -1.732 11.185 638 2HB ASP 81 HB1 ASP 81 4.311 -1.256 9.979 639 H GLY 82 HN GLY 82 4.240 0.049 8.045 640 1HA GLY 82 HA2 GLY 82 3.539 1.775 6.247 641 2HA GLY 82 HA1 GLY 82 3.013 2.701 7.644 642 H LEU 83 HN LEU 83 5.363 1.457 9.113 643 HA LEU 83 HA LEU 83 7.213 3.489 8.996 644 1HB LEU 83 HB2 LEU 83 7.059 1.706 10.728 645 2HB LEU 83 HB1 LEU 83 7.774 0.582 9.591 646 HG LEU 83 HG LEU 83 9.747 2.267 9.525 647 1HD1 LEU 83 HD11 LEU 83 8.431 3.019 12.127 648 2HD1 LEU 83 HD12 LEU 83 8.658 4.065 10.726 649 3HD1 LEU 83 HD13 LEU 83 10.057 3.484 11.628 650 1HD2 LEU 83 HD21 LEU 83 10.780 1.151 11.446 651 2HD2 LEU 83 HD22 LEU 83 9.903 0.016 10.419 652 3HD2 LEU 83 HD23 LEU 83 9.197 0.553 11.944 653 H CYS 84 HN CYS 84 8.600 4.137 7.447 654 HA CYS 84 HA CYS 84 9.435 2.300 5.355 655 1HB CYS 84 HB2 CYS 84 9.029 4.631 4.716 656 2HB CYS 84 HB1 CYS 84 10.213 5.183 5.897 657 HG CYS 84 HG CYS 84 11.450 5.509 3.463 658 H MET 85 HN MET 85 11.405 1.270 5.309 659 HA MET 85 HA MET 85 12.696 0.918 7.791 660 1HB MET 85 HB2 MET 85 12.593 -0.694 5.800 661 2HB MET 85 HB1 MET 85 13.954 0.213 5.154 662 1HG MET 85 HG2 MET 85 15.247 -0.296 7.165 663 2HG MET 85 HG1 MET 85 13.887 -1.224 7.794 664 1HE MET 85 HE1 MET 85 16.196 -4.171 7.000 665 2HE MET 85 HE2 MET 85 15.013 -3.491 8.119 666 3HE MET 85 HE3 MET 85 16.533 -2.644 7.816 667 H GLU 86 HN GLU 86 13.390 3.016 5.089 668 HA GLU 86 HA GLU 86 15.983 3.771 6.200 669 1HB GLU 86 HB2 GLU 86 15.055 3.521 3.623 670 2HB GLU 86 HB1 GLU 86 14.976 5.258 3.874 671 1HG GLU 86 HG2 GLU 86 17.418 3.546 4.268 672 2HG GLU 86 HG1 GLU 86 17.084 4.543 2.856 673 H ASP 87 HN ASP 87 12.880 5.211 5.361 674 HA ASP 87 HA ASP 87 13.620 7.793 6.454 675 1HB ASP 87 HB2 ASP 87 11.069 6.904 5.097 676 2HB ASP 87 HB1 ASP 87 11.479 8.563 5.527 677 H GLU 88 HN GLU 88 12.897 5.213 7.985 678 HA GLU 88 HA GLU 88 10.570 5.106 9.278 679 1HB GLU 88 HB2 GLU 88 11.936 4.307 11.310 680 2HB GLU 88 HB1 GLU 88 12.052 3.429 9.794 681 1HG GLU 88 HG2 GLU 88 14.250 3.534 10.375 682 2HG GLU 88 HG1 GLU 88 14.115 4.997 9.404 683 H GLN 89 HN GLN 89 12.968 7.591 10.013 684 HA GLN 89 HA GLN 89 11.923 8.418 12.488 685 1HB GLN 89 HB2 GLN 89 14.110 9.147 11.454 686 2HB GLN 89 HB1 GLN 89 13.183 10.228 10.422 687 1HG GLN 89 HG2 GLN 89 12.286 11.310 12.475 688 2HG GLN 89 HG1 GLN 89 13.384 10.310 13.424 689 1HE2 GLN 89 HE21 GLN 89 13.086 12.999 11.274 690 2HE2 GLN 89 HE22 GLN 89 14.701 13.586 11.454 691 H PHE 90 HN PHE 90 10.867 8.958 9.232 692 HA PHE 90 HA PHE 90 8.794 10.829 10.158 693 1HB PHE 90 HB2 PHE 90 9.718 10.192 7.346 694 2HB PHE 90 HB1 PHE 90 8.480 11.367 7.771 695 HD1 PHE 90 HD1 PHE 90 9.080 13.482 8.812 696 HD2 PHE 90 HD2 PHE 90 12.050 10.669 7.645 697 HE1 PHE 90 HE1 PHE 90 10.801 15.232 8.985 698 HE2 PHE 90 HE2 PHE 90 13.777 12.411 7.820 699 HZ PHE 90 HZ PHE 90 13.152 14.697 8.489 700 H SER 91 HN SER 91 9.107 8.269 7.708 701 HA SER 91 HA SER 91 7.783 6.566 7.051 702 1HB SER 91 HB2 SER 91 6.441 6.963 9.728 703 2HB SER 91 HB1 SER 91 6.150 5.598 8.647 704 HG SER 91 HG SER 91 8.379 6.198 10.218 705 H VAL 92 HN VAL 92 5.777 6.118 6.036 706 HA VAL 92 HA VAL 92 4.441 8.606 5.302 707 HB VAL 92 HB VAL 92 3.508 7.272 3.399 708 1HG1 VAL 92 HG11 VAL 92 5.481 8.650 3.100 709 2HG1 VAL 92 HG12 VAL 92 5.635 7.162 2.165 710 3HG1 VAL 92 HG13 VAL 92 6.510 7.341 3.685 711 1HG2 VAL 92 HG21 VAL 92 4.530 5.104 2.893 712 2HG2 VAL 92 HG22 VAL 92 3.620 5.057 4.403 713 3HG2 VAL 92 HG23 VAL 92 5.381 5.149 4.437 714 H LYS 93 HN LYS 93 2.087 7.644 4.267 715 HA LYS 93 HA LYS 93 0.600 7.371 6.769 716 1HB LYS 93 HB2 LYS 93 0.178 9.282 5.237 717 2HB LYS 93 HB1 LYS 93 -0.333 8.145 4.001 718 1HG LYS 93 HG2 LYS 93 -2.206 7.454 5.400 719 2HG LYS 93 HG1 LYS 93 -1.681 8.580 6.659 720 1HD LYS 93 HD2 LYS 93 -1.992 10.451 5.146 721 2HD LYS 93 HD1 LYS 93 -2.431 9.352 3.840 722 1HE LYS 93 HE2 LYS 93 -4.358 8.597 5.237 723 2HE LYS 93 HE1 LYS 93 -3.957 9.876 6.382 724 1HZ LYS 93 HZ1 LYS 93 -4.415 11.527 4.775 725 2HZ LYS 93 HZ2 LYS 93 -5.706 10.436 4.695 726 3HZ LYS 93 HZ3 LYS 93 -4.492 10.395 3.514 727 H HIS 94 HN HIS 94 -0.863 5.742 7.144 728 HA HIS 94 HA HIS 94 -0.913 3.556 5.170 729 1HB HIS 94 HB2 HIS 94 0.476 2.827 6.963 730 2HB HIS 94 HB1 HIS 94 -0.633 3.434 8.180 731 HD1 HIS 94 HD1 HIS 94 -1.768 1.612 9.344 732 HD2 HIS 94 HD2 HIS 94 -1.006 0.634 5.371 733 HE1 HIS 94 HE1 HIS 94 -2.654 -0.717 9.038 734 HE2 HIS 94 HE2 HIS 94 -2.387 -1.196 6.587 735 H TYR 95 HN TYR 95 -2.829 2.716 4.643 736 HA TYR 95 HA TYR 95 -5.220 3.641 6.104 737 1HB TYR 95 HB2 TYR 95 -4.918 2.771 3.218 738 2HB TYR 95 HB1 TYR 95 -6.455 3.123 3.993 739 HD1 TYR 95 HD1 TYR 95 -3.210 4.662 3.025 740 HD2 TYR 95 HD2 TYR 95 -7.290 5.287 4.054 741 HE1 TYR 95 HE1 TYR 95 -3.017 7.017 2.343 742 HE2 TYR 95 HE2 TYR 95 -7.107 7.641 3.381 743 HH TYR 95 HH TYR 95 -4.200 8.893 1.836 744 H GLU 96 HN GLU 96 -6.985 2.086 6.235 745 HA GLU 96 HA GLU 96 -6.017 -0.682 6.351 746 1HB GLU 96 HB2 GLU 96 -8.494 0.614 7.504 747 2HB GLU 96 HB1 GLU 96 -8.125 -1.101 7.624 748 1HG GLU 96 HG2 GLU 96 -6.064 -0.554 8.844 749 2HG GLU 96 HG1 GLU 96 -6.498 1.154 8.769 750 H ALA 97 HN ALA 97 -6.590 -2.092 4.830 751 HA ALA 97 HA ALA 97 -8.844 -1.362 3.072 752 1HB ALA 97 HB1 ALA 97 -6.701 -1.076 1.935 753 2HB ALA 97 HB2 ALA 97 -7.633 -2.389 1.216 754 3HB ALA 97 HB3 ALA 97 -6.284 -2.752 2.292 755 H ARG 98 HN ARG 98 -10.197 -3.011 2.373 756 HA ARG 98 HA ARG 98 -9.587 -5.756 3.124 757 1HB ARG 98 HB2 ARG 98 -11.651 -6.137 4.299 758 2HB ARG 98 HB1 ARG 98 -10.819 -4.794 5.069 759 1HG ARG 98 HG2 ARG 98 -12.313 -3.212 4.138 760 2HG ARG 98 HG1 ARG 98 -13.000 -4.407 3.037 761 1HD ARG 98 HD2 ARG 98 -13.203 -4.505 6.048 762 2HD ARG 98 HD1 ARG 98 -14.466 -3.912 4.968 763 HE ARG 98 HE ARG 98 -14.731 -6.140 4.131 764 1HH1 ARG 98 HH11 ARG 98 -12.626 -5.878 6.914 765 2HH1 ARG 98 HH12 ARG 98 -12.801 -7.546 7.359 766 1HH2 ARG 98 HH21 ARG 98 -14.950 -8.344 4.701 767 2HH2 ARG 98 HH22 ARG 98 -14.093 -8.950 6.094 768 H VAL 99 HN VAL 99 -11.101 -7.287 2.168 769 HA VAL 99 HA VAL 99 -12.250 -6.245 -0.328 770 HB VAL 99 HB VAL 99 -11.459 -9.068 0.419 771 1HG1 VAL 99 HG11 VAL 99 -13.401 -9.089 -1.048 772 2HG1 VAL 99 HG12 VAL 99 -11.963 -9.632 -1.915 773 3HG1 VAL 99 HG13 VAL 99 -12.582 -8.000 -2.167 774 1HG2 VAL 99 HG21 VAL 99 -9.552 -7.624 0.000 775 2HG2 VAL 99 HG22 VAL 99 -10.260 -7.105 -1.530 776 3HG2 VAL 99 HG23 VAL 99 -9.747 -8.779 -1.317 777 H LYS 100 HN LYS 100 -14.334 -5.882 -0.249 778 HA LYS 100 HA LYS 100 -16.064 -7.686 1.318 779 1HB LYS 100 HB2 LYS 100 -15.826 -5.459 2.346 780 2HB LYS 100 HB1 LYS 100 -16.403 -4.719 0.868 781 1HG LYS 100 HG2 LYS 100 -18.545 -5.868 1.126 782 2HG LYS 100 HG1 LYS 100 -17.973 -6.581 2.635 783 1HD LYS 100 HD2 LYS 100 -17.823 -4.438 3.675 784 2HD LYS 100 HD1 LYS 100 -18.117 -3.615 2.142 785 1HE LYS 100 HE2 LYS 100 -20.079 -5.422 3.544 786 2HE LYS 100 HE1 LYS 100 -20.102 -3.660 3.602 787 1HZ LYS 100 HZ1 LYS 100 -21.645 -4.599 1.947 788 2HZ LYS 100 HZ2 LYS 100 -20.329 -5.261 1.105 789 3HZ LYS 100 HZ3 LYS 100 -20.483 -3.577 1.251 790 H ASP 101 HN ASP 101 -17.583 -8.671 0.153 791 HA ASP 101 HA ASP 101 -18.896 -9.298 -1.601 792 1HB ASP 101 HB2 ASP 101 -18.816 -6.342 -2.272 793 2HB ASP 101 HB1 ASP 101 -19.833 -7.517 -3.095 794 H GLY 102 HN GLY 102 -15.910 -8.964 -1.724 795 1HA GLY 102 HA2 GLY 102 -14.324 -9.614 -3.293 796 2HA GLY 102 HA1 GLY 102 -15.562 -9.525 -4.540 797 H VAL 103 HN VAL 103 -15.312 -6.790 -2.470 798 HA VAL 103 HA VAL 103 -13.937 -5.317 -4.629 799 HB VAL 103 HB VAL 103 -16.234 -4.356 -2.911 800 1HG1 VAL 103 HG11 VAL 103 -16.215 -2.387 -4.413 801 2HG1 VAL 103 HG12 VAL 103 -14.698 -2.971 -5.100 802 3HG1 VAL 103 HG13 VAL 103 -14.781 -2.516 -3.396 803 1HG2 VAL 103 HG21 VAL 103 -17.520 -4.321 -4.996 804 2HG2 VAL 103 HG22 VAL 103 -16.970 -5.948 -4.598 805 3HG2 VAL 103 HG23 VAL 103 -16.148 -5.022 -5.853 806 H VAL 104 HN VAL 104 -12.332 -3.963 -4.033 807 HA VAL 104 HA VAL 104 -11.323 -4.126 -1.346 808 HB VAL 104 HB VAL 104 -10.337 -2.312 -3.556 809 1HG1 VAL 104 HG11 VAL 104 -9.462 -1.796 -1.349 810 2HG1 VAL 104 HG12 VAL 104 -8.198 -2.469 -2.376 811 3HG1 VAL 104 HG13 VAL 104 -8.953 -3.470 -1.137 812 1HG2 VAL 104 HG21 VAL 104 -9.568 -5.179 -2.982 813 2HG2 VAL 104 HG22 VAL 104 -8.741 -4.108 -4.112 814 3HG2 VAL 104 HG23 VAL 104 -10.412 -4.584 -4.412 815 H GLN 105 HN GLN 105 -11.889 -2.840 0.271 816 HA GLN 105 HA GLN 105 -12.839 -0.124 -0.375 817 1HB GLN 105 HB2 GLN 105 -13.583 -1.819 2.018 818 2HB GLN 105 HB1 GLN 105 -14.179 -0.202 1.671 819 1HG GLN 105 HG2 GLN 105 -15.165 -1.097 -0.434 820 2HG GLN 105 HG1 GLN 105 -14.702 -2.710 0.103 821 1HE2 GLN 105 HE21 GLN 105 -17.332 -1.633 -0.434 822 2HE2 GLN 105 HE22 GLN 105 -18.237 -1.801 1.020 823 H LEU 106 HN LEU 106 -12.060 1.579 0.839 824 HA LEU 106 HA LEU 106 -9.678 0.957 2.457 825 1HB LEU 106 HB2 LEU 106 -10.282 3.467 0.891 826 2HB LEU 106 HB1 LEU 106 -8.815 3.143 1.793 827 HG LEU 106 HG LEU 106 -9.732 1.650 -0.665 828 1HD1 LEU 106 HD11 LEU 106 -7.825 2.736 -1.742 829 2HD1 LEU 106 HD12 LEU 106 -7.499 3.634 -0.260 830 3HD1 LEU 106 HD13 LEU 106 -8.993 3.918 -1.154 831 1HD2 LEU 106 HD21 LEU 106 -7.204 1.406 0.961 832 2HD2 LEU 106 HD22 LEU 106 -7.522 0.594 -0.571 833 3HD2 LEU 106 HD23 LEU 106 -8.491 0.207 0.850 834 H ARG 107 HN ARG 107 -9.558 1.701 4.486 835 HA ARG 107 HA ARG 107 -11.500 3.751 5.342 836 1HB ARG 107 HB2 ARG 107 -11.960 1.587 6.413 837 2HB ARG 107 HB1 ARG 107 -10.302 1.518 7.001 838 1HG ARG 107 HG2 ARG 107 -10.668 3.405 8.431 839 2HG ARG 107 HG1 ARG 107 -12.264 3.677 7.737 840 1HD ARG 107 HD2 ARG 107 -12.768 2.586 9.710 841 2HD ARG 107 HD1 ARG 107 -12.751 1.263 8.547 842 HE ARG 107 HE ARG 107 -10.192 1.408 9.573 843 1HH1 ARG 107 HH11 ARG 107 -13.422 0.767 10.782 844 2HH1 ARG 107 HH12 ARG 107 -12.858 -0.130 12.160 845 1HH2 ARG 107 HH21 ARG 107 -9.458 0.228 11.369 846 2HH2 ARG 107 HH22 ARG 107 -10.615 -0.468 12.473 847 H GLY 108 HN GLY 108 -10.579 5.618 5.794 848 1HA GLY 108 HA2 GLY 108 -8.171 5.760 7.371 849 2HA GLY 108 HA1 GLY 108 -7.954 6.298 5.712 850 H GLY 109 HN GLY 109 -7.619 8.435 6.103 851 1HA GLY 109 HA2 GLY 109 -9.937 10.053 6.546 852 2HA GLY 109 HA1 GLY 109 -8.823 10.112 7.906 853 H SER 110 HN SER 110 -8.916 12.455 7.116 854 HA SER 110 HA SER 110 -7.542 13.162 4.729 855 1HB SER 110 HB2 SER 110 -7.955 14.862 7.199 856 2HB SER 110 HB1 SER 110 -7.654 15.431 5.557 857 HG SER 110 HG SER 110 -9.682 15.084 5.049 Start of MODEL 3 1 HA MET 1 HA MET 1 -17.433 7.081 12.330 2 1HB MET 1 HB2 MET 1 -19.823 5.872 10.921 3 2HB MET 1 HB1 MET 1 -18.976 5.144 12.276 4 1HG MET 1 HG2 MET 1 -20.944 6.147 13.123 5 2HG MET 1 HG1 MET 1 -19.587 7.148 13.632 6 1HE MET 1 HE1 MET 1 -21.280 9.104 14.246 7 2HE MET 1 HE2 MET 1 -22.643 8.117 13.718 8 3HE MET 1 HE3 MET 1 -22.464 9.765 13.119 9 H SER 2 HN SER 2 -18.682 5.403 9.436 10 HA SER 2 HA SER 2 -15.912 4.754 8.733 11 1HB SER 2 HB2 SER 2 -16.814 2.382 8.217 12 2HB SER 2 HB1 SER 2 -16.461 2.803 9.890 13 HG SER 2 HG SER 2 -18.827 2.132 8.720 14 H GLN 3 HN GLN 3 -15.723 5.732 6.822 15 HA GLN 3 HA GLN 3 -17.790 5.179 4.806 16 1HB GLN 3 HB2 GLN 3 -15.562 7.224 4.760 17 2HB GLN 3 HB1 GLN 3 -16.752 6.988 3.490 18 1HG GLN 3 HG2 GLN 3 -18.517 7.529 5.201 19 2HG GLN 3 HG1 GLN 3 -17.208 8.010 6.276 20 1HE2 GLN 3 HE21 GLN 3 -17.201 8.483 2.807 21 2HE2 GLN 3 HE22 GLN 3 -17.301 10.210 2.849 22 H TRP 4 HN TRP 4 -17.196 3.099 4.271 23 HA TRP 4 HA TRP 4 -14.473 2.569 3.413 24 1HB TRP 4 HB2 TRP 4 -16.943 0.838 3.584 25 2HB TRP 4 HB1 TRP 4 -15.430 0.273 2.887 26 HD1 TRP 4 HD1 TRP 4 -16.987 1.260 6.251 27 HE1 TRP 4 HE1 TRP 4 -15.510 0.321 8.147 28 HE3 TRP 4 HE3 TRP 4 -13.080 -0.462 3.441 29 HZ2 TRP 4 HZ2 TRP 4 -13.020 -0.980 8.399 30 HZ3 TRP 4 HZ3 TRP 4 -11.191 -1.545 4.586 31 HH2 TRP 4 HH2 TRP 4 -11.163 -1.798 7.016 32 H LYS 5 HN LYS 5 -14.052 3.620 1.546 33 HA LYS 5 HA LYS 5 -15.976 3.699 -0.603 34 1HB LYS 5 HB2 LYS 5 -14.459 5.593 -0.273 35 2HB LYS 5 HB1 LYS 5 -13.069 4.543 -0.525 36 1HG LYS 5 HG2 LYS 5 -13.928 4.084 -2.823 37 2HG LYS 5 HG1 LYS 5 -15.165 5.309 -2.546 38 1HD LYS 5 HD2 LYS 5 -13.457 7.003 -2.244 39 2HD LYS 5 HD1 LYS 5 -12.189 5.786 -2.414 40 1HE LYS 5 HE2 LYS 5 -12.970 5.318 -4.699 41 2HE LYS 5 HE1 LYS 5 -14.196 6.573 -4.525 42 1HZ LYS 5 HZ1 LYS 5 -12.447 8.209 -4.256 43 2HZ LYS 5 HZ2 LYS 5 -12.252 7.375 -5.718 44 3HZ LYS 5 HZ3 LYS 5 -11.259 7.006 -4.394 45 H ASP 6 HN ASP 6 -16.186 2.262 -2.192 46 HA ASP 6 HA ASP 6 -14.371 0.031 -2.375 47 1HB ASP 6 HB2 ASP 6 -15.861 -0.776 -4.152 48 2HB ASP 6 HB1 ASP 6 -16.774 -0.330 -2.716 49 H ILE 7 HN ILE 7 -12.672 -0.120 -3.651 50 HA ILE 7 HA ILE 7 -12.097 2.094 -5.468 51 HB ILE 7 HB ILE 7 -10.326 -0.206 -4.619 52 1HG1 ILE 7 HG12 ILE 7 -10.890 1.199 -2.714 53 2HG1 ILE 7 HG11 ILE 7 -9.213 1.464 -3.176 54 1HG2 ILE 7 HG21 ILE 7 -9.678 2.349 -6.080 55 2HG2 ILE 7 HG22 ILE 7 -9.656 0.719 -6.755 56 3HG2 ILE 7 HG23 ILE 7 -8.496 1.174 -5.505 57 1HD1 ILE 7 HD11 ILE 7 -10.319 3.548 -2.603 58 2HD1 ILE 7 HD12 ILE 7 -11.530 3.258 -3.851 59 3HD1 ILE 7 HD13 ILE 7 -9.847 3.527 -4.302 60 H CYS 8 HN CYS 8 -11.487 -1.389 -5.624 61 HA CYS 8 HA CYS 8 -12.909 -1.641 -8.118 62 1HB CYS 8 HB2 CYS 8 -10.905 -2.591 -9.298 63 2HB CYS 8 HB1 CYS 8 -10.804 -0.861 -8.995 64 HG CYS 8 HG CYS 8 -8.319 -2.379 -8.669 65 H LYS 9 HN LYS 9 -12.811 -3.975 -8.864 66 HA LYS 9 HA LYS 9 -13.373 -5.692 -6.680 67 1HB LYS 9 HB2 LYS 9 -14.215 -5.750 -9.122 68 2HB LYS 9 HB1 LYS 9 -12.725 -6.615 -9.465 69 1HG LYS 9 HG2 LYS 9 -13.386 -8.488 -8.305 70 2HG LYS 9 HG1 LYS 9 -14.535 -7.592 -7.306 71 1HD LYS 9 HD2 LYS 9 -15.969 -7.254 -9.260 72 2HD LYS 9 HD1 LYS 9 -14.828 -8.153 -10.258 73 1HE LYS 9 HE2 LYS 9 -16.132 -9.340 -7.826 74 2HE LYS 9 HE1 LYS 9 -16.876 -9.407 -9.421 75 1HZ LYS 9 HZ1 LYS 9 -15.086 -10.685 -10.249 76 2HZ LYS 9 HZ2 LYS 9 -15.538 -11.394 -8.777 77 3HZ LYS 9 HZ3 LYS 9 -14.144 -10.429 -8.863 78 H ILE 10 HN ILE 10 -12.217 -7.566 -5.998 79 HA ILE 10 HA ILE 10 -9.487 -7.149 -5.553 80 HB ILE 10 HB ILE 10 -10.955 -8.549 -4.127 81 1HG1 ILE 10 HG12 ILE 10 -9.291 -10.315 -3.643 82 2HG1 ILE 10 HG11 ILE 10 -8.480 -9.947 -5.162 83 1HG2 ILE 10 HG21 ILE 10 -11.376 -10.888 -4.750 84 2HG2 ILE 10 HG22 ILE 10 -10.694 -10.572 -6.345 85 3HG2 ILE 10 HG23 ILE 10 -12.171 -9.752 -5.839 86 1HD1 ILE 10 HD11 ILE 10 -8.802 -8.068 -2.832 87 2HD1 ILE 10 HD12 ILE 10 -7.990 -7.698 -4.353 88 3HD1 ILE 10 HD13 ILE 10 -7.333 -8.934 -3.281 89 H ASP 11 HN ASP 11 -11.116 -8.554 -8.214 90 HA ASP 11 HA ASP 11 -9.040 -10.200 -9.217 91 1HB ASP 11 HB2 ASP 11 -11.392 -8.926 -10.623 92 2HB ASP 11 HB1 ASP 11 -10.350 -10.160 -11.324 93 H ASP 12 HN ASP 12 -9.553 -6.815 -9.237 94 HA ASP 12 HA ASP 12 -8.049 -6.222 -11.607 95 1HB ASP 12 HB2 ASP 12 -9.762 -4.682 -10.692 96 2HB ASP 12 HB1 ASP 12 -8.759 -4.431 -9.269 97 H ILE 13 HN ILE 13 -7.350 -6.798 -8.279 98 HA ILE 13 HA ILE 13 -4.531 -6.031 -8.690 99 HB ILE 13 HB ILE 13 -5.865 -6.468 -6.017 100 1HG1 ILE 13 HG12 ILE 13 -5.437 -3.820 -7.422 101 2HG1 ILE 13 HG11 ILE 13 -6.994 -4.629 -7.273 102 1HG2 ILE 13 HG21 ILE 13 -3.438 -6.614 -6.034 103 2HG2 ILE 13 HG22 ILE 13 -3.957 -5.152 -5.195 104 3HG2 ILE 13 HG23 ILE 13 -3.332 -5.049 -6.842 105 1HD1 ILE 13 HD11 ILE 13 -6.748 -2.858 -5.632 106 2HD1 ILE 13 HD12 ILE 13 -5.300 -3.636 -4.994 107 3HD1 ILE 13 HD13 ILE 13 -6.867 -4.433 -4.848 108 H LEU 14 HN LEU 14 -3.637 -7.868 -9.456 109 HA LEU 14 HA LEU 14 -4.289 -10.479 -8.536 110 1HB LEU 14 HB2 LEU 14 -1.842 -9.494 -10.010 111 2HB LEU 14 HB1 LEU 14 -2.306 -11.174 -9.822 112 HG LEU 14 HG LEU 14 -3.876 -9.083 -11.335 113 1HD1 LEU 14 HD11 LEU 14 -1.812 -9.691 -12.474 114 2HD1 LEU 14 HD12 LEU 14 -3.212 -10.350 -13.319 115 3HD1 LEU 14 HD13 LEU 14 -2.213 -11.400 -12.314 116 1HD2 LEU 14 HD21 LEU 14 -5.323 -10.770 -10.336 117 2HD2 LEU 14 HD22 LEU 14 -4.329 -12.050 -11.032 118 3HD2 LEU 14 HD23 LEU 14 -5.241 -10.969 -12.086 119 HA PRO 15 HA PRO 15 -1.664 -10.986 -4.957 120 1HB PRO 15 HB2 PRO 15 -0.463 -13.365 -6.267 121 2HB PRO 15 HB1 PRO 15 -1.267 -13.229 -4.700 122 1HG PRO 15 HG2 PRO 15 -2.483 -14.404 -6.757 123 2HG PRO 15 HG1 PRO 15 -3.387 -13.381 -5.625 124 1HD PRO 15 HD2 PRO 15 -2.418 -12.759 -8.386 125 2HD PRO 15 HD1 PRO 15 -3.948 -12.315 -7.599 126 H GLU 16 HN GLU 16 0.405 -10.511 -4.286 127 HA GLU 16 HA GLU 16 2.513 -9.669 -4.355 128 1HB GLU 16 HB2 GLU 16 2.763 -11.109 -7.007 129 2HB GLU 16 HB1 GLU 16 4.085 -10.511 -6.018 130 1HG GLU 16 HG2 GLU 16 2.170 -12.665 -5.149 131 2HG GLU 16 HG1 GLU 16 3.725 -12.970 -5.917 132 H THR 17 HN THR 17 0.231 -8.232 -5.607 133 HA THR 17 HA THR 17 1.715 -6.591 -7.562 134 HB THR 17 HB THR 17 -1.268 -7.090 -7.611 135 HG1 THR 17 HG1 THR 17 -0.505 -8.984 -8.286 136 1HG2 THR 17 HG21 THR 17 -1.139 -6.130 -9.864 137 2HG2 THR 17 HG22 THR 17 0.589 -5.848 -9.647 138 3HG2 THR 17 HG23 THR 17 -0.576 -4.981 -8.647 139 H GLY 18 HN GLY 18 1.495 -4.380 -7.462 140 1HA GLY 18 HA2 GLY 18 -0.192 -3.320 -5.273 141 2HA GLY 18 HA1 GLY 18 1.401 -2.673 -5.638 142 H VAL 19 HN VAL 19 -1.615 -1.773 -5.807 143 HA VAL 19 HA VAL 19 -1.361 -0.574 -8.493 144 HB VAL 19 HB VAL 19 -3.778 -0.485 -8.662 145 1HG1 VAL 19 HG11 VAL 19 -2.810 -3.237 -7.897 146 2HG1 VAL 19 HG12 VAL 19 -2.700 -2.491 -9.491 147 3HG1 VAL 19 HG13 VAL 19 -4.278 -2.887 -8.810 148 1HG2 VAL 19 HG21 VAL 19 -3.823 -1.841 -5.967 149 2HG2 VAL 19 HG22 VAL 19 -5.229 -1.532 -6.987 150 3HG2 VAL 19 HG23 VAL 19 -4.319 -0.184 -6.306 151 H CYS 20 HN CYS 20 -2.877 1.456 -8.601 152 HA CYS 20 HA CYS 20 -2.422 3.054 -6.176 153 1HB CYS 20 HB2 CYS 20 -2.254 5.004 -7.848 154 2HB CYS 20 HB1 CYS 20 -0.883 3.906 -7.730 155 HG CYS 20 HG CYS 20 -3.172 4.150 -10.251 156 H ALA 21 HN ALA 21 -4.051 4.360 -5.481 157 HA ALA 21 HA ALA 21 -6.449 4.664 -7.122 158 1HB ALA 21 HB1 ALA 21 -6.509 3.498 -4.340 159 2HB ALA 21 HB2 ALA 21 -6.824 2.616 -5.834 160 3HB ALA 21 HB3 ALA 21 -7.915 3.905 -5.325 161 H LEU 22 HN LEU 22 -8.118 5.944 -5.541 162 HA LEU 22 HA LEU 22 -6.586 8.074 -4.208 163 1HB LEU 22 HB2 LEU 22 -7.470 8.544 -6.614 164 2HB LEU 22 HB1 LEU 22 -9.039 8.646 -5.848 165 HG LEU 22 HG LEU 22 -6.688 10.385 -5.089 166 1HD1 LEU 22 HD11 LEU 22 -7.330 10.798 -7.398 167 2HD1 LEU 22 HD12 LEU 22 -7.807 12.145 -6.363 168 3HD1 LEU 22 HD13 LEU 22 -9.015 10.982 -6.910 169 1HD2 LEU 22 HD21 LEU 22 -8.392 11.783 -4.028 170 2HD2 LEU 22 HD22 LEU 22 -8.364 10.164 -3.330 171 3HD2 LEU 22 HD23 LEU 22 -9.632 10.610 -4.470 172 H LEU 23 HN LEU 23 -7.319 8.495 -2.214 173 HA LEU 23 HA LEU 23 -10.104 7.791 -1.579 174 1HB LEU 23 HB2 LEU 23 -8.628 6.101 -0.619 175 2HB LEU 23 HB1 LEU 23 -7.680 7.349 0.168 176 HG LEU 23 HG LEU 23 -9.609 7.932 1.575 177 1HD1 LEU 23 HD11 LEU 23 -10.959 5.609 0.214 178 2HD1 LEU 23 HD12 LEU 23 -11.394 7.309 0.039 179 3HD1 LEU 23 HD13 LEU 23 -11.585 6.504 1.596 180 1HD2 LEU 23 HD21 LEU 23 -8.943 4.993 1.613 181 2HD2 LEU 23 HD22 LEU 23 -9.607 5.928 2.955 182 3HD2 LEU 23 HD23 LEU 23 -7.986 6.277 2.351 183 H GLY 24 HN GLY 24 -11.133 9.620 -1.235 184 1HA GLY 24 HA2 GLY 24 -11.707 11.558 -0.118 185 2HA GLY 24 HA1 GLY 24 -10.203 11.450 0.783 186 H ASP 25 HN ASP 25 -8.378 12.448 0.010 187 HA ASP 25 HA ASP 25 -8.747 14.161 -2.358 188 1HB ASP 25 HB2 ASP 25 -7.472 14.881 0.286 189 2HB ASP 25 HB1 ASP 25 -7.320 15.860 -1.166 190 H GLU 26 HN GLU 26 -6.743 12.000 -0.583 191 HA GLU 26 HA GLU 26 -4.379 12.821 -2.113 192 1HB GLU 26 HB2 GLU 26 -4.505 11.239 0.458 193 2HB GLU 26 HB1 GLU 26 -3.045 11.797 -0.348 194 1HG GLU 26 HG2 GLU 26 -5.187 13.584 0.785 195 2HG GLU 26 HG1 GLU 26 -3.671 13.182 1.587 196 H GLN 27 HN GLN 27 -2.798 10.995 -2.490 197 HA GLN 27 HA GLN 27 -4.281 8.942 -3.926 198 1HB GLN 27 HB2 GLN 27 -1.335 9.604 -4.066 199 2HB GLN 27 HB1 GLN 27 -2.224 8.557 -5.160 200 1HG GLN 27 HG2 GLN 27 -1.978 10.558 -6.333 201 2HG GLN 27 HG1 GLN 27 -3.630 10.609 -5.718 202 1HE2 GLN 27 HE21 GLN 27 -3.795 12.830 -5.737 203 2HE2 GLN 27 HE22 GLN 27 -2.898 13.854 -4.673 204 H VAL 28 HN VAL 28 -4.227 6.855 -3.461 205 HA VAL 28 HA VAL 28 -2.630 6.018 -1.133 206 HB VAL 28 HB VAL 28 -5.338 4.979 -1.991 207 1HG1 VAL 28 HG11 VAL 28 -3.696 4.376 0.467 208 2HG1 VAL 28 HG12 VAL 28 -3.996 3.276 -0.878 209 3HG1 VAL 28 HG13 VAL 28 -5.331 3.793 0.152 210 1HG2 VAL 28 HG21 VAL 28 -6.197 6.094 0.010 211 2HG2 VAL 28 HG22 VAL 28 -5.493 7.247 -1.123 212 3HG2 VAL 28 HG23 VAL 28 -4.598 6.769 0.319 213 H ALA 29 HN ALA 29 -1.463 4.183 -1.287 214 HA ALA 29 HA ALA 29 -1.472 2.795 -3.876 215 1HB ALA 29 HB1 ALA 29 0.604 2.795 -1.685 216 2HB ALA 29 HB2 ALA 29 0.677 3.727 -3.181 217 3HB ALA 29 HB3 ALA 29 0.738 1.965 -3.236 218 H ILE 30 HN ILE 30 -2.427 0.873 -3.977 219 HA ILE 30 HA ILE 30 -3.014 -0.525 -1.449 220 HB ILE 30 HB ILE 30 -4.381 -0.902 -4.118 221 1HG1 ILE 30 HG12 ILE 30 -5.354 0.628 -1.694 222 2HG1 ILE 30 HG11 ILE 30 -4.776 1.363 -3.186 223 1HG2 ILE 30 HG21 ILE 30 -4.498 -2.854 -2.685 224 2HG2 ILE 30 HG22 ILE 30 -6.080 -2.079 -2.778 225 3HG2 ILE 30 HG23 ILE 30 -5.076 -1.864 -1.344 226 1HD1 ILE 30 HD11 ILE 30 -7.192 1.345 -3.120 227 2HD1 ILE 30 HD12 ILE 30 -7.195 -0.404 -2.896 228 3HD1 ILE 30 HD13 ILE 30 -6.609 0.291 -4.407 229 H PHE 31 HN PHE 31 -1.730 -2.193 -1.061 230 HA PHE 31 HA PHE 31 -0.611 -3.654 -3.358 231 1HB PHE 31 HB2 PHE 31 0.467 -3.320 -0.555 232 2HB PHE 31 HB1 PHE 31 1.182 -4.368 -1.775 233 HD1 PHE 31 HD1 PHE 31 0.680 -0.923 -0.684 234 HD2 PHE 31 HD2 PHE 31 2.353 -3.436 -3.684 235 HE1 PHE 31 HE1 PHE 31 2.013 0.965 -1.519 236 HE2 PHE 31 HE2 PHE 31 3.685 -1.548 -4.523 237 HZ PHE 31 HZ PHE 31 3.518 0.653 -3.441 238 H ARG 32 HN ARG 32 -1.161 -5.697 -3.628 239 HA ARG 32 HA ARG 32 -2.333 -7.146 -1.352 240 1HB ARG 32 HB2 ARG 32 -3.898 -6.892 -3.231 241 2HB ARG 32 HB1 ARG 32 -2.718 -7.603 -4.322 242 1HG ARG 32 HG2 ARG 32 -2.841 -9.703 -3.029 243 2HG ARG 32 HG1 ARG 32 -4.102 -8.976 -2.030 244 1HD ARG 32 HD2 ARG 32 -5.506 -8.683 -4.001 245 2HD ARG 32 HD1 ARG 32 -4.243 -9.379 -5.016 246 HE ARG 32 HE ARG 32 -5.030 -11.128 -2.894 247 1HH1 ARG 32 HH11 ARG 32 -5.916 -10.013 -6.099 248 2HH1 ARG 32 HH12 ARG 32 -6.785 -11.470 -6.498 249 1HH2 ARG 32 HH21 ARG 32 -6.156 -13.034 -3.427 250 2HH2 ARG 32 HH22 ARG 32 -6.886 -13.192 -4.993 251 HA PRO 33 HA PRO 33 1.633 -9.206 -1.981 252 1HB PRO 33 HB2 PRO 33 1.426 -10.035 0.771 253 2HB PRO 33 HB1 PRO 33 2.543 -8.874 0.054 254 1HG PRO 33 HG2 PRO 33 0.528 -8.209 1.804 255 2HG PRO 33 HG1 PRO 33 1.258 -7.090 0.642 256 1HD PRO 33 HD2 PRO 33 -1.336 -8.560 0.481 257 2HD PRO 33 HD1 PRO 33 -0.924 -6.928 -0.077 258 H TYR 34 HN TYR 34 -1.190 -10.485 -0.278 259 HA TYR 34 HA TYR 34 -0.202 -13.200 -0.593 260 1HB TYR 34 HB2 TYR 34 -2.631 -12.100 0.826 261 2HB TYR 34 HB1 TYR 34 -2.207 -13.806 0.768 262 HD1 TYR 34 HD1 TYR 34 -0.458 -14.695 2.134 263 HD2 TYR 34 HD2 TYR 34 -1.230 -10.513 2.089 264 HE1 TYR 34 HE1 TYR 34 0.953 -14.419 4.128 265 HE2 TYR 34 HE2 TYR 34 0.177 -10.225 4.083 266 HH TYR 34 HH TYR 34 1.026 -11.511 5.940 267 H HIS 35 HN HIS 35 -1.577 -14.892 -1.390 268 HA HIS 35 HA HIS 35 -3.016 -14.186 -3.788 269 1HB HIS 35 HB2 HIS 35 -2.402 -16.770 -2.370 270 2HB HIS 35 HB1 HIS 35 -3.530 -16.729 -3.718 271 HD1 HIS 35 HD1 HIS 35 0.076 -15.642 -3.041 272 HD2 HIS 35 HD2 HIS 35 -2.332 -17.125 -6.094 273 HE1 HIS 35 HE1 HIS 35 1.608 -16.010 -4.997 274 HE2 HIS 35 HE2 HIS 35 0.091 -16.695 -6.891 275 H SER 36 HN SER 36 -3.715 -14.367 -0.537 276 HA SER 36 HA SER 36 -6.507 -15.068 -0.797 277 1HB SER 36 HB2 SER 36 -4.925 -14.070 1.585 278 2HB SER 36 HB1 SER 36 -6.561 -14.732 1.634 279 HG SER 36 HG SER 36 -5.244 -16.553 0.402 280 H ASP 37 HN ASP 37 -7.661 -13.322 1.029 281 HA ASP 37 HA ASP 37 -7.983 -10.992 -0.703 282 1HB ASP 37 HB2 ASP 37 -9.612 -11.983 1.649 283 2HB ASP 37 HB1 ASP 37 -10.020 -10.584 0.665 284 H GLN 38 HN GLN 38 -5.633 -11.217 1.054 285 HA GLN 38 HA GLN 38 -6.158 -9.134 3.040 286 1HB GLN 38 HB2 GLN 38 -3.693 -10.827 2.594 287 2HB GLN 38 HB1 GLN 38 -3.874 -9.622 3.861 288 1HG GLN 38 HG2 GLN 38 -5.832 -10.934 4.703 289 2HG GLN 38 HG1 GLN 38 -5.398 -12.193 3.548 290 1HE2 GLN 38 HE21 GLN 38 -5.489 -12.298 6.452 291 2HE2 GLN 38 HE22 GLN 38 -3.890 -12.740 6.970 292 H VAL 39 HN VAL 39 -6.015 -7.138 2.315 293 HA VAL 39 HA VAL 39 -3.794 -6.447 0.510 294 HB VAL 39 HB VAL 39 -5.208 -4.619 -0.394 295 1HG1 VAL 39 HG11 VAL 39 -5.026 -6.702 -1.622 296 2HG1 VAL 39 HG12 VAL 39 -6.651 -6.034 -1.791 297 3HG1 VAL 39 HG13 VAL 39 -6.362 -7.387 -0.697 298 1HG2 VAL 39 HG21 VAL 39 -6.748 -4.341 1.464 299 2HG2 VAL 39 HG22 VAL 39 -7.409 -5.952 1.183 300 3HG2 VAL 39 HG23 VAL 39 -7.639 -4.683 -0.021 301 H PHE 40 HN PHE 40 -2.800 -4.424 0.845 302 HA PHE 40 HA PHE 40 -3.485 -3.081 3.374 303 1HB PHE 40 HB2 PHE 40 -0.713 -3.768 2.367 304 2HB PHE 40 HB1 PHE 40 -1.039 -2.713 3.737 305 HD1 PHE 40 HD1 PHE 40 -0.961 -6.156 2.543 306 HD2 PHE 40 HD2 PHE 40 -1.914 -3.616 5.822 307 HE1 PHE 40 HE1 PHE 40 -1.019 -8.112 4.035 308 HE2 PHE 40 HE2 PHE 40 -1.971 -5.567 7.320 309 HZ PHE 40 HZ PHE 40 -1.524 -7.817 6.427 310 H ALA 41 HN ALA 41 -3.378 -0.856 3.348 311 HA ALA 41 HA ALA 41 -2.675 0.359 0.761 312 1HB ALA 41 HB1 ALA 41 -5.100 0.198 0.991 313 2HB ALA 41 HB2 ALA 41 -4.563 1.878 1.001 314 3HB ALA 41 HB3 ALA 41 -5.017 1.088 2.512 315 H ILE 42 HN ILE 42 -1.272 1.953 0.861 316 HA ILE 42 HA ILE 42 -1.044 3.538 3.334 317 HB ILE 42 HB ILE 42 1.419 3.656 2.987 318 1HG1 ILE 42 HG12 ILE 42 0.942 1.390 1.034 319 2HG1 ILE 42 HG11 ILE 42 1.432 3.024 0.596 320 1HG2 ILE 42 HG21 ILE 42 0.502 2.166 4.664 321 2HG2 ILE 42 HG22 ILE 42 1.922 1.438 3.914 322 3HG2 ILE 42 HG23 ILE 42 0.308 0.894 3.457 323 1HD1 ILE 42 HD11 ILE 42 3.031 1.095 2.266 324 2HD1 ILE 42 HD12 ILE 42 3.525 2.726 1.809 325 3HD1 ILE 42 HD13 ILE 42 3.316 1.487 0.570 326 H SER 43 HN SER 43 0.648 5.455 2.676 327 HA SER 43 HA SER 43 -0.651 6.975 0.658 328 1HB SER 43 HB2 SER 43 2.056 7.488 1.913 329 2HB SER 43 HB1 SER 43 1.006 8.672 1.131 330 HG SER 43 HG SER 43 -0.452 7.525 2.986 331 H ASN 44 HN ASN 44 0.010 7.452 -1.441 332 HA ASN 44 HA ASN 44 1.578 5.315 -2.633 333 1HB ASN 44 HB2 ASN 44 -0.668 6.046 -3.510 334 2HB ASN 44 HB1 ASN 44 0.090 7.544 -4.034 335 1HD2 ASN 44 HD21 ASN 44 -0.283 7.212 -6.195 336 2HD2 ASN 44 HD22 ASN 44 0.518 5.985 -7.109 337 H ILE 45 HN ILE 45 2.445 8.222 -1.391 338 HA ILE 45 HA ILE 45 4.347 8.780 -3.566 339 HB ILE 45 HB ILE 45 3.207 10.719 -1.551 340 1HG1 ILE 45 HG12 ILE 45 2.826 10.476 -4.545 341 2HG1 ILE 45 HG11 ILE 45 1.625 10.085 -3.319 342 1HG2 ILE 45 HG21 ILE 45 4.430 12.441 -2.806 343 2HG2 ILE 45 HG22 ILE 45 5.176 11.180 -3.790 344 3HG2 ILE 45 HG23 ILE 45 5.518 11.269 -2.060 345 1HD1 ILE 45 HD11 ILE 45 1.166 12.232 -4.335 346 2HD1 ILE 45 HD12 ILE 45 2.768 12.812 -3.874 347 3HD1 ILE 45 HD13 ILE 45 1.577 12.427 -2.631 348 H ASP 46 HN ASP 46 6.408 8.533 -3.175 349 HA ASP 46 HA ASP 46 7.392 8.106 -0.472 350 1HB ASP 46 HB2 ASP 46 8.426 6.583 -1.863 351 2HB ASP 46 HB1 ASP 46 8.475 7.698 -3.225 352 HA PRO 47 HA PRO 47 8.668 12.350 -0.270 353 1HB PRO 47 HB2 PRO 47 9.430 12.380 2.286 354 2HB PRO 47 HB1 PRO 47 7.732 12.176 1.839 355 1HG PRO 47 HG2 PRO 47 9.715 10.131 2.732 356 2HG PRO 47 HG1 PRO 47 7.991 10.268 3.120 357 1HD PRO 47 HD2 PRO 47 9.091 8.591 1.185 358 2HD PRO 47 HD1 PRO 47 7.387 9.072 1.285 359 H PHE 48 HN PHE 48 10.798 9.685 -0.167 360 HA PHE 48 HA PHE 48 13.135 11.195 0.597 361 1HB PHE 48 HB2 PHE 48 12.786 8.393 -0.466 362 2HB PHE 48 HB1 PHE 48 14.361 9.095 -0.109 363 HD1 PHE 48 HD1 PHE 48 14.760 9.946 2.258 364 HD2 PHE 48 HD2 PHE 48 11.545 7.367 1.205 365 HE1 PHE 48 HE1 PHE 48 14.541 9.268 4.610 366 HE2 PHE 48 HE2 PHE 48 11.318 6.685 3.558 367 HZ PHE 48 HZ PHE 48 12.818 7.637 5.262 368 H PHE 49 HN PHE 49 12.193 9.520 -2.416 369 HA PHE 49 HA PHE 49 14.047 11.334 -3.831 370 1HB PHE 49 HB2 PHE 49 13.213 8.507 -4.518 371 2HB PHE 49 HB1 PHE 49 14.210 9.532 -5.548 372 HD1 PHE 49 HD1 PHE 49 14.125 7.403 -2.618 373 HD2 PHE 49 HD2 PHE 49 16.472 10.192 -4.815 374 HE1 PHE 49 HE1 PHE 49 16.135 6.656 -1.412 375 HE2 PHE 49 HE2 PHE 49 18.485 9.447 -3.614 376 HZ PHE 49 HZ PHE 49 18.318 7.677 -1.910 377 H GLU 50 HN GLU 50 11.015 11.204 -3.128 378 HA GLU 50 HA GLU 50 9.088 12.002 -3.982 379 1HB GLU 50 HB2 GLU 50 10.939 13.123 -6.086 380 2HB GLU 50 HB1 GLU 50 9.228 13.512 -5.975 381 1HG GLU 50 HG2 GLU 50 9.575 14.458 -3.761 382 2HG GLU 50 HG1 GLU 50 11.288 14.049 -3.850 383 H SER 51 HN SER 51 8.673 9.695 -4.290 384 HA SER 51 HA SER 51 8.488 8.939 -7.120 385 1HB SER 51 HB2 SER 51 7.991 7.217 -4.675 386 2HB SER 51 HB1 SER 51 8.154 6.668 -6.344 387 HG SER 51 HG SER 51 10.162 7.828 -4.698 388 H SER 52 HN SER 52 6.625 9.331 -8.086 389 HA SER 52 HA SER 52 4.380 10.301 -6.633 390 1HB SER 52 HB2 SER 52 3.327 10.232 -8.996 391 2HB SER 52 HB1 SER 52 4.691 11.316 -8.722 392 HG SER 52 HG SER 52 5.438 10.305 -10.434 393 H VAL 53 HN VAL 53 5.233 7.236 -8.090 394 HA VAL 53 HA VAL 53 2.803 6.110 -6.875 395 HB VAL 53 HB VAL 53 2.809 4.362 -8.690 396 1HG1 VAL 53 HG11 VAL 53 1.644 5.774 -10.318 397 2HG1 VAL 53 HG12 VAL 53 2.302 7.211 -9.540 398 3HG1 VAL 53 HG13 VAL 53 1.179 6.172 -8.665 399 1HG2 VAL 53 HG21 VAL 53 3.884 4.942 -10.824 400 2HG2 VAL 53 HG22 VAL 53 5.062 4.683 -9.536 401 3HG2 VAL 53 HG23 VAL 53 4.659 6.323 -10.043 402 H LEU 54 HN LEU 54 3.243 4.667 -5.354 403 HA LEU 54 HA LEU 54 5.880 3.424 -5.260 404 1HB LEU 54 HB2 LEU 54 3.543 3.336 -3.349 405 2HB LEU 54 HB1 LEU 54 5.053 2.483 -3.089 406 HG LEU 54 HG LEU 54 4.703 5.478 -3.238 407 1HD1 LEU 54 HD11 LEU 54 5.349 5.426 -0.890 408 2HD1 LEU 54 HD12 LEU 54 5.425 3.665 -0.942 409 3HD1 LEU 54 HD13 LEU 54 3.882 4.489 -1.166 410 1HD2 LEU 54 HD21 LEU 54 7.189 3.834 -2.774 411 2HD2 LEU 54 HD22 LEU 54 7.075 5.589 -2.651 412 3HD2 LEU 54 HD23 LEU 54 6.835 4.797 -4.208 413 H SER 55 HN SER 55 2.914 2.832 -6.596 414 HA SER 55 HA SER 55 2.548 0.071 -6.246 415 1HB SER 55 HB2 SER 55 1.782 1.578 -8.738 416 2HB SER 55 HB1 SER 55 0.922 0.259 -7.938 417 HG SER 55 HG SER 55 0.201 1.619 -6.412 418 H ARG 56 HN ARG 56 4.899 1.795 -7.979 419 HA ARG 56 HA ARG 56 5.417 -0.349 -9.883 420 1HB ARG 56 HB2 ARG 56 5.503 2.066 -10.555 421 2HB ARG 56 HB1 ARG 56 6.890 2.266 -9.495 422 1HG ARG 56 HG2 ARG 56 8.155 0.670 -10.828 423 2HG ARG 56 HG1 ARG 56 6.758 0.428 -11.877 424 1HD ARG 56 HD2 ARG 56 6.861 2.692 -12.644 425 2HD ARG 56 HD1 ARG 56 8.096 3.092 -11.450 426 HE ARG 56 HE ARG 56 9.660 1.761 -12.681 427 1HH1 ARG 56 HH11 ARG 56 6.594 2.270 -14.289 428 2HH1 ARG 56 HH12 ARG 56 7.213 1.932 -15.870 429 1HH2 ARG 56 HH21 ARG 56 10.489 1.290 -14.767 430 2HH2 ARG 56 HH22 ARG 56 9.427 1.362 -16.147 431 H GLY 57 HN GLY 57 5.705 -1.046 -7.184 432 1HA GLY 57 HA2 GLY 57 8.597 -1.585 -7.093 433 2HA GLY 57 HA1 GLY 57 7.755 -1.038 -5.650 434 H LEU 58 HN LEU 58 9.163 -3.461 -5.780 435 HA LEU 58 HA LEU 58 7.092 -5.507 -6.091 436 1HB LEU 58 HB2 LEU 58 8.840 -7.148 -6.117 437 2HB LEU 58 HB1 LEU 58 9.242 -5.877 -7.251 438 HG LEU 58 HG LEU 58 10.419 -5.966 -4.477 439 1HD1 LEU 58 HD11 LEU 58 11.521 -7.193 -7.001 440 2HD1 LEU 58 HD12 LEU 58 10.952 -8.072 -5.582 441 3HD1 LEU 58 HD13 LEU 58 12.380 -7.042 -5.468 442 1HD2 LEU 58 HD21 LEU 58 10.591 -3.840 -5.676 443 2HD2 LEU 58 HD22 LEU 58 11.332 -4.671 -7.044 444 3HD2 LEU 58 HD23 LEU 58 12.171 -4.604 -5.494 445 H ILE 59 HN ILE 59 6.571 -6.943 -4.462 446 HA ILE 59 HA ILE 59 7.032 -5.916 -1.770 447 HB ILE 59 HB ILE 59 5.159 -8.105 -2.691 448 1HG1 ILE 59 HG12 ILE 59 4.556 -5.215 -2.015 449 2HG1 ILE 59 HG11 ILE 59 4.631 -5.869 -3.648 450 1HG2 ILE 59 HG21 ILE 59 4.087 -7.798 -0.507 451 2HG2 ILE 59 HG22 ILE 59 5.321 -6.616 -0.072 452 3HG2 ILE 59 HG23 ILE 59 5.769 -8.301 -0.340 453 1HD1 ILE 59 HD11 ILE 59 2.684 -6.689 -1.504 454 2HD1 ILE 59 HD12 ILE 59 2.751 -7.339 -3.143 455 3HD1 ILE 59 HD13 ILE 59 2.338 -5.644 -2.883 456 H ALA 60 HN ALA 60 8.764 -6.675 -0.760 457 HA ALA 60 HA ALA 60 9.462 -9.519 -1.113 458 1HB ALA 60 HB1 ALA 60 11.117 -8.039 -2.150 459 2HB ALA 60 HB2 ALA 60 11.800 -8.911 -0.777 460 3HB ALA 60 HB3 ALA 60 11.347 -7.214 -0.607 461 H GLU 61 HN GLU 61 9.312 -10.694 0.666 462 HA GLU 61 HA GLU 61 8.628 -9.463 3.160 463 1HB GLU 61 HB2 GLU 61 7.606 -11.577 2.454 464 2HB GLU 61 HB1 GLU 61 9.177 -12.360 2.476 465 1HG GLU 61 HG2 GLU 61 8.251 -11.077 4.982 466 2HG GLU 61 HG1 GLU 61 7.452 -12.562 4.479 467 H HIS 62 HN HIS 62 9.891 -8.996 4.825 468 HA HIS 62 HA HIS 62 12.609 -10.096 4.912 469 1HB HIS 62 HB2 HIS 62 11.833 -7.204 4.851 470 2HB HIS 62 HB1 HIS 62 13.257 -7.703 5.756 471 HD1 HIS 62 HD1 HIS 62 11.891 -7.696 2.227 472 HD2 HIS 62 HD2 HIS 62 15.485 -8.186 4.258 473 HE1 HIS 62 HE1 HIS 62 13.676 -7.724 0.451 474 HE2 HIS 62 HE2 HIS 62 15.825 -8.181 1.699 475 H GLN 63 HN GLN 63 12.815 -11.108 6.747 476 HA GLN 63 HA GLN 63 12.814 -11.618 8.945 477 1HB GLN 63 HB2 GLN 63 12.466 -8.641 9.105 478 2HB GLN 63 HB1 GLN 63 12.443 -9.624 10.562 479 1HG GLN 63 HG2 GLN 63 14.643 -8.835 10.343 480 2HG GLN 63 HG1 GLN 63 14.685 -10.524 9.854 481 1HE2 GLN 63 HE21 GLN 63 16.546 -10.291 8.663 482 2HE2 GLN 63 HE22 GLN 63 16.594 -9.426 7.161 483 H GLY 64 HN GLY 64 10.270 -11.544 7.322 484 1HA GLY 64 HA2 GLY 64 8.288 -12.660 8.053 485 2HA GLY 64 HA1 GLY 64 8.484 -11.914 9.632 486 H GLU 65 HN GLU 65 9.119 -9.358 7.943 487 HA GLU 65 HA GLU 65 6.306 -8.550 7.859 488 1HB GLU 65 HB2 GLU 65 8.852 -7.010 8.260 489 2HB GLU 65 HB1 GLU 65 7.372 -6.194 7.778 490 1HG GLU 65 HG2 GLU 65 7.529 -5.993 10.119 491 2HG GLU 65 HG1 GLU 65 6.277 -7.189 9.802 492 H LEU 66 HN LEU 66 5.485 -7.343 6.136 493 HA LEU 66 HA LEU 66 6.709 -8.039 3.594 494 1HB LEU 66 HB2 LEU 66 4.038 -6.782 4.232 495 2HB LEU 66 HB1 LEU 66 4.568 -7.282 2.637 496 HG LEU 66 HG LEU 66 4.231 -9.167 4.967 497 1HD1 LEU 66 HD11 LEU 66 2.088 -8.207 4.323 498 2HD1 LEU 66 HD12 LEU 66 2.192 -9.902 3.853 499 3HD1 LEU 66 HD13 LEU 66 2.392 -8.638 2.640 500 1HD2 LEU 66 HD21 LEU 66 4.361 -10.896 3.234 501 2HD2 LEU 66 HD22 LEU 66 5.834 -9.930 3.303 502 3HD2 LEU 66 HD23 LEU 66 4.657 -9.652 2.020 503 H TRP 67 HN TRP 67 8.197 -6.680 2.879 504 HA TRP 67 HA TRP 67 7.732 -3.790 3.190 505 1HB TRP 67 HB2 TRP 67 10.330 -5.257 2.664 506 2HB TRP 67 HB1 TRP 67 10.155 -3.519 2.862 507 HD1 TRP 67 HD1 TRP 67 10.083 -6.779 4.876 508 HE1 TRP 67 HE1 TRP 67 10.414 -6.216 7.364 509 HE3 TRP 67 HE3 TRP 67 9.871 -1.677 4.582 510 HZ2 TRP 67 HZ2 TRP 67 10.567 -3.909 8.988 511 HZ3 TRP 67 HZ3 TRP 67 10.122 -0.367 6.650 512 HH2 TRP 67 HH2 TRP 67 10.463 -1.462 8.807 513 H VAL 68 HN VAL 68 7.365 -2.621 1.405 514 HA VAL 68 HA VAL 68 7.769 -3.923 -1.183 515 HB VAL 68 HB VAL 68 5.557 -2.944 -0.863 516 1HG1 VAL 68 HG11 VAL 68 6.987 -0.314 -0.522 517 2HG1 VAL 68 HG12 VAL 68 6.093 -1.188 0.722 518 3HG1 VAL 68 HG13 VAL 68 5.242 -0.522 -0.673 519 1HG2 VAL 68 HG21 VAL 68 5.462 -1.545 -2.877 520 2HG2 VAL 68 HG22 VAL 68 6.459 -2.981 -3.114 521 3HG2 VAL 68 HG23 VAL 68 7.220 -1.410 -2.856 522 H ALA 69 HN ALA 69 9.415 -3.437 -2.431 523 HA ALA 69 HA ALA 69 11.160 -1.232 -1.587 524 1HB ALA 69 HB1 ALA 69 12.170 -3.461 -1.560 525 2HB ALA 69 HB2 ALA 69 12.951 -2.418 -2.748 526 3HB ALA 69 HB3 ALA 69 11.805 -3.650 -3.274 527 H SER 70 HN SER 70 11.226 0.527 -2.786 528 HA SER 70 HA SER 70 10.036 0.546 -5.428 529 1HB SER 70 HB2 SER 70 11.377 2.814 -3.941 530 2HB SER 70 HB1 SER 70 10.276 2.948 -5.312 531 HG SER 70 HG SER 70 9.127 1.524 -3.339 532 HA PRO 71 HA PRO 71 14.112 -0.288 -7.169 533 1HB PRO 71 HB2 PRO 71 12.680 -0.369 -9.719 534 2HB PRO 71 HB1 PRO 71 13.554 -1.657 -8.885 535 1HG PRO 71 HG2 PRO 71 10.869 -1.661 -9.110 536 2HG PRO 71 HG1 PRO 71 11.702 -2.326 -7.693 537 1HD PRO 71 HD2 PRO 71 10.362 0.338 -8.025 538 2HD PRO 71 HD1 PRO 71 10.285 -0.796 -6.658 539 H LEU 72 HN LEU 72 12.146 2.387 -7.513 540 HA LEU 72 HA LEU 72 13.385 3.799 -9.607 541 1HB LEU 72 HB2 LEU 72 12.059 4.785 -7.078 542 2HB LEU 72 HB1 LEU 72 12.621 5.852 -8.347 543 HG LEU 72 HG LEU 72 11.059 4.567 -9.911 544 1HD1 LEU 72 HD11 LEU 72 9.914 3.661 -7.273 545 2HD1 LEU 72 HD12 LEU 72 10.648 2.631 -8.502 546 3HD1 LEU 72 HD13 LEU 72 9.142 3.480 -8.849 547 1HD2 LEU 72 HD21 LEU 72 9.113 5.881 -9.203 548 2HD2 LEU 72 HD22 LEU 72 10.604 6.824 -9.171 549 3HD2 LEU 72 HD23 LEU 72 9.913 6.216 -7.667 550 H LYS 73 HN LYS 73 14.205 3.280 -6.259 551 HA LYS 73 HA LYS 73 16.972 3.873 -6.872 552 1HB LYS 73 HB2 LYS 73 15.783 5.979 -5.872 553 2HB LYS 73 HB1 LYS 73 15.828 5.079 -4.363 554 1HG LYS 73 HG2 LYS 73 17.719 6.499 -4.378 555 2HG LYS 73 HG1 LYS 73 18.310 4.863 -4.685 556 1HD LYS 73 HD2 LYS 73 18.413 5.330 -7.072 557 2HD LYS 73 HD1 LYS 73 17.772 6.950 -6.796 558 1HE LYS 73 HE2 LYS 73 19.757 7.444 -5.396 559 2HE LYS 73 HE1 LYS 73 20.406 5.857 -5.815 560 1HZ LYS 73 HZ1 LYS 73 21.374 7.460 -7.262 561 2HZ LYS 73 HZ2 LYS 73 19.864 8.114 -7.664 562 3HZ LYS 73 HZ3 LYS 73 20.275 6.553 -8.181 563 H LYS 74 HN LYS 74 15.238 3.591 -3.807 564 HA LYS 74 HA LYS 74 14.986 0.898 -3.525 565 1HB LYS 74 HB2 LYS 74 17.484 0.783 -3.713 566 2HB LYS 74 HB1 LYS 74 17.593 1.722 -2.230 567 1HG LYS 74 HG2 LYS 74 17.895 -0.655 -1.794 568 2HG LYS 74 HG1 LYS 74 16.438 -0.046 -1.009 569 1HD LYS 74 HD2 LYS 74 15.936 -2.174 -1.994 570 2HD LYS 74 HD1 LYS 74 15.115 -0.923 -2.929 571 1HE LYS 74 HE2 LYS 74 16.095 -2.519 -4.441 572 2HE LYS 74 HE1 LYS 74 16.968 -0.992 -4.569 573 1HZ LYS 74 HZ1 LYS 74 17.866 -3.331 -2.969 574 2HZ LYS 74 HZ2 LYS 74 18.727 -1.886 -3.209 575 3HZ LYS 74 HZ3 LYS 74 18.443 -2.932 -4.514 576 H GLN 75 HN GLN 75 13.216 2.299 -2.697 577 HA GLN 75 HA GLN 75 13.647 3.120 0.083 578 1HB GLN 75 HB2 GLN 75 11.229 3.582 -1.679 579 2HB GLN 75 HB1 GLN 75 11.474 4.236 -0.067 580 1HG GLN 75 HG2 GLN 75 12.095 6.041 -1.283 581 2HG GLN 75 HG1 GLN 75 13.655 5.223 -1.197 582 1HE2 GLN 75 HE21 GLN 75 11.016 6.154 -3.201 583 2HE2 GLN 75 HE22 GLN 75 11.723 5.714 -4.715 584 H ARG 76 HN ARG 76 12.403 2.264 1.767 585 HA ARG 76 HA ARG 76 11.124 -0.313 1.113 586 1HB ARG 76 HB2 ARG 76 12.800 0.356 3.538 587 2HB ARG 76 HB1 ARG 76 12.048 -1.197 3.202 588 1HG ARG 76 HG2 ARG 76 13.498 -1.626 1.397 589 2HG ARG 76 HG1 ARG 76 14.062 0.047 1.358 590 1HD ARG 76 HD2 ARG 76 14.537 -1.923 3.592 591 2HD ARG 76 HD1 ARG 76 15.717 -1.452 2.369 592 HE ARG 76 HE ARG 76 14.814 0.880 3.605 593 1HH1 ARG 76 HH11 ARG 76 16.603 -2.016 4.483 594 2HH1 ARG 76 HH12 ARG 76 17.511 -1.213 5.739 595 1HH2 ARG 76 HH21 ARG 76 15.984 1.912 5.224 596 2HH2 ARG 76 HH22 ARG 76 17.163 1.035 6.160 597 H PHE 77 HN PHE 77 9.018 -0.231 1.540 598 HA PHE 77 HA PHE 77 8.137 1.276 3.914 599 1HB PHE 77 HB2 PHE 77 6.698 0.767 1.308 600 2HB PHE 77 HB1 PHE 77 5.899 1.394 2.744 601 HD1 PHE 77 HD1 PHE 77 8.388 2.117 0.135 602 HD2 PHE 77 HD2 PHE 77 6.171 3.659 3.425 603 HE1 PHE 77 HE1 PHE 77 9.037 4.404 -0.502 604 HE2 PHE 77 HE2 PHE 77 6.814 5.947 2.793 605 HZ PHE 77 HZ PHE 77 8.251 6.322 0.828 606 H ARG 78 HN ARG 78 6.909 0.293 5.397 607 HA ARG 78 HA ARG 78 6.678 -2.612 5.220 608 1HB ARG 78 HB2 ARG 78 7.766 -1.755 7.182 609 2HB ARG 78 HB1 ARG 78 6.454 -0.632 7.488 610 1HG ARG 78 HG2 ARG 78 4.974 -2.494 8.026 611 2HG ARG 78 HG1 ARG 78 6.292 -3.630 7.706 612 1HD ARG 78 HD2 ARG 78 7.566 -2.807 9.518 613 2HD ARG 78 HD1 ARG 78 6.527 -1.398 9.705 614 HE ARG 78 HE ARG 78 5.239 -3.961 10.133 615 1HH1 ARG 78 HH11 ARG 78 6.938 -1.258 11.568 616 2HH1 ARG 78 HH12 ARG 78 6.317 -1.535 13.165 617 1HH2 ARG 78 HH21 ARG 78 4.409 -4.335 12.227 618 2HH2 ARG 78 HH22 ARG 78 4.869 -3.290 13.544 619 H LEU 79 HN LEU 79 4.884 -3.214 4.202 620 HA LEU 79 HA LEU 79 2.564 -1.648 3.916 621 1HB LEU 79 HB2 LEU 79 2.856 -4.631 3.572 622 2HB LEU 79 HB1 LEU 79 1.589 -3.627 2.892 623 HG LEU 79 HG LEU 79 4.511 -3.361 2.193 624 1HD1 LEU 79 HD11 LEU 79 3.909 -4.465 0.092 625 2HD1 LEU 79 HD12 LEU 79 2.281 -4.746 0.709 626 3HD1 LEU 79 HD13 LEU 79 3.663 -5.525 1.481 627 1HD2 LEU 79 HD21 LEU 79 2.020 -2.215 0.936 628 2HD2 LEU 79 HD22 LEU 79 3.669 -2.007 0.344 629 3HD2 LEU 79 HD23 LEU 79 3.197 -1.323 1.899 630 H SER 80 HN SER 80 3.410 -4.191 6.149 631 HA SER 80 HA SER 80 0.915 -5.012 6.997 632 1HB SER 80 HB2 SER 80 3.300 -4.873 8.823 633 2HB SER 80 HB1 SER 80 2.056 -6.122 8.724 634 HG SER 80 HG SER 80 3.577 -7.064 7.562 635 H ASP 81 HN ASP 81 2.776 -2.202 8.059 636 HA ASP 81 HA ASP 81 0.545 -1.531 9.862 637 1HB ASP 81 HB2 ASP 81 2.518 -2.318 11.141 638 2HB ASP 81 HB1 ASP 81 3.468 -1.013 10.437 639 H GLY 82 HN GLY 82 2.833 -0.447 7.500 640 1HA GLY 82 HA2 GLY 82 2.248 1.436 6.115 641 2HA GLY 82 HA1 GLY 82 1.483 2.176 7.514 642 H LEU 83 HN LEU 83 4.219 0.838 8.618 643 HA LEU 83 HA LEU 83 5.543 3.315 9.008 644 1HB LEU 83 HB2 LEU 83 5.659 1.450 10.611 645 2HB LEU 83 HB1 LEU 83 6.519 0.484 9.428 646 HG LEU 83 HG LEU 83 8.297 2.337 9.477 647 1HD1 LEU 83 HD11 LEU 83 6.825 2.969 12.026 648 2HD1 LEU 83 HD12 LEU 83 6.994 4.023 10.620 649 3HD1 LEU 83 HD13 LEU 83 8.411 3.591 11.577 650 1HD2 LEU 83 HD21 LEU 83 9.367 1.353 11.458 651 2HD2 LEU 83 HD22 LEU 83 8.682 0.132 10.387 652 3HD2 LEU 83 HD23 LEU 83 7.843 0.570 11.876 653 H CYS 84 HN CYS 84 7.491 4.054 8.130 654 HA CYS 84 HA CYS 84 8.460 2.619 5.749 655 1HB CYS 84 HB2 CYS 84 7.842 4.981 5.380 656 2HB CYS 84 HB1 CYS 84 8.974 5.474 6.634 657 HG CYS 84 HG CYS 84 9.529 4.777 3.428 658 H MET 85 HN MET 85 10.692 2.103 5.617 659 HA MET 85 HA MET 85 11.807 1.333 8.104 660 1HB MET 85 HB2 MET 85 12.150 0.501 5.558 661 2HB MET 85 HB1 MET 85 13.604 1.467 5.760 662 1HG MET 85 HG2 MET 85 12.752 -0.810 7.533 663 2HG MET 85 HG1 MET 85 13.975 -0.893 6.271 664 1HE MET 85 HE1 MET 85 15.686 -1.921 8.004 665 2HE MET 85 HE2 MET 85 14.461 -1.838 9.269 666 3HE MET 85 HE3 MET 85 16.072 -1.182 9.558 667 H GLU 86 HN GLU 86 12.988 3.699 5.692 668 HA GLU 86 HA GLU 86 14.923 4.712 7.557 669 1HB GLU 86 HB2 GLU 86 14.097 5.733 4.837 670 2HB GLU 86 HB1 GLU 86 15.443 6.357 5.777 671 1HG GLU 86 HG2 GLU 86 16.635 4.933 4.534 672 2HG GLU 86 HG1 GLU 86 16.089 3.749 5.718 673 H ASP 87 HN ASP 87 11.710 5.622 6.556 674 HA ASP 87 HA ASP 87 11.970 8.259 7.796 675 1HB ASP 87 HB2 ASP 87 10.812 7.779 5.501 676 2HB ASP 87 HB1 ASP 87 9.441 7.303 6.499 677 H GLU 88 HN GLU 88 11.619 5.455 9.068 678 HA GLU 88 HA GLU 88 9.257 4.921 10.227 679 1HB GLU 88 HB2 GLU 88 10.450 3.894 12.082 680 2HB GLU 88 HB1 GLU 88 11.257 3.575 10.555 681 1HG GLU 88 HG2 GLU 88 12.917 5.265 11.044 682 2HG GLU 88 HG1 GLU 88 12.082 5.680 12.542 683 H GLN 89 HN GLN 89 11.249 7.645 11.136 684 HA GLN 89 HA GLN 89 10.263 8.295 13.638 685 1HB GLN 89 HB2 GLN 89 10.938 10.201 11.392 686 2HB GLN 89 HB1 GLN 89 10.839 10.617 13.096 687 1HG GLN 89 HG2 GLN 89 12.735 9.235 13.600 688 2HG GLN 89 HG1 GLN 89 12.787 8.639 11.940 689 1HE2 GLN 89 HE21 GLN 89 14.871 9.374 11.602 690 2HE2 GLN 89 HE22 GLN 89 15.238 11.052 11.415 691 H PHE 90 HN PHE 90 8.913 9.098 10.449 692 HA PHE 90 HA PHE 90 6.397 9.846 11.792 693 1HB PHE 90 HB2 PHE 90 7.560 11.842 10.918 694 2HB PHE 90 HB1 PHE 90 7.573 11.123 9.311 695 HD1 PHE 90 HD1 PHE 90 5.030 11.710 11.988 696 HD2 PHE 90 HD2 PHE 90 6.058 12.035 7.871 697 HE1 PHE 90 HE1 PHE 90 2.840 12.731 11.527 698 HE2 PHE 90 HE2 PHE 90 3.868 13.055 7.402 699 HZ PHE 90 HZ PHE 90 2.257 13.405 9.232 700 H SER 91 HN SER 91 7.713 9.019 8.582 701 HA SER 91 HA SER 91 7.114 7.484 7.040 702 1HB SER 91 HB2 SER 91 5.405 6.325 9.251 703 2HB SER 91 HB1 SER 91 5.764 5.533 7.717 704 HG SER 91 HG SER 91 7.898 6.470 9.265 705 H VAL 92 HN VAL 92 4.818 6.321 6.254 706 HA VAL 92 HA VAL 92 3.284 8.666 5.450 707 HB VAL 92 HB VAL 92 2.375 7.219 3.666 708 1HG1 VAL 92 HG11 VAL 92 5.386 7.219 3.840 709 2HG1 VAL 92 HG12 VAL 92 4.380 8.545 3.258 710 3HG1 VAL 92 HG13 VAL 92 4.437 7.025 2.367 711 1HG2 VAL 92 HG21 VAL 92 3.347 5.000 3.279 712 2HG2 VAL 92 HG22 VAL 92 2.482 5.071 4.814 713 3HG2 VAL 92 HG23 VAL 92 4.244 5.133 4.793 714 H LYS 93 HN LYS 93 0.887 8.064 4.919 715 HA LYS 93 HA LYS 93 -0.260 7.228 7.458 716 1HB LYS 93 HB2 LYS 93 -0.999 9.337 6.426 717 2HB LYS 93 HB1 LYS 93 -1.558 8.452 5.014 718 1HG LYS 93 HG2 LYS 93 -3.230 7.318 6.349 719 2HG LYS 93 HG1 LYS 93 -2.634 8.111 7.807 720 1HD LYS 93 HD2 LYS 93 -3.730 9.573 5.410 721 2HD LYS 93 HD1 LYS 93 -4.680 9.156 6.837 722 1HE LYS 93 HE2 LYS 93 -2.174 10.837 6.886 723 2HE LYS 93 HE1 LYS 93 -3.809 11.495 6.836 724 1HZ LYS 93 HZ1 LYS 93 -4.279 10.456 8.947 725 2HZ LYS 93 HZ2 LYS 93 -2.894 11.423 9.093 726 3HZ LYS 93 HZ3 LYS 93 -2.745 9.738 8.987 727 H HIS 94 HN HIS 94 -0.881 5.220 7.765 728 HA HIS 94 HA HIS 94 -1.440 3.463 5.503 729 1HB HIS 94 HB2 HIS 94 -0.007 2.631 7.318 730 2HB HIS 94 HB1 HIS 94 -1.297 2.911 8.480 731 HD1 HIS 94 HD1 HIS 94 -2.944 1.058 8.832 732 HD2 HIS 94 HD2 HIS 94 -0.547 0.464 5.481 733 HE1 HIS 94 HE1 HIS 94 -3.417 -1.294 8.066 734 HE2 HIS 94 HE2 HIS 94 -1.785 -1.697 6.187 735 H TYR 95 HN TYR 95 -3.452 2.993 4.849 736 HA TYR 95 HA TYR 95 -5.675 4.088 6.407 737 1HB TYR 95 HB2 TYR 95 -5.586 3.077 3.555 738 2HB TYR 95 HB1 TYR 95 -6.998 3.779 4.336 739 HD1 TYR 95 HD1 TYR 95 -7.234 6.133 4.569 740 HD2 TYR 95 HD2 TYR 95 -3.609 4.503 3.054 741 HE1 TYR 95 HE1 TYR 95 -6.532 8.377 3.859 742 HE2 TYR 95 HE2 TYR 95 -2.892 6.744 2.343 743 HH TYR 95 HH TYR 95 -3.959 8.915 1.754 744 H GLU 96 HN GLU 96 -7.738 2.785 6.355 745 HA GLU 96 HA GLU 96 -7.100 0.057 7.171 746 1HB GLU 96 HB2 GLU 96 -9.667 1.647 7.362 747 2HB GLU 96 HB1 GLU 96 -9.420 0.039 8.033 748 1HG GLU 96 HG2 GLU 96 -7.845 0.843 9.610 749 2HG GLU 96 HG1 GLU 96 -7.750 2.412 8.811 750 H ALA 97 HN ALA 97 -7.267 -1.546 5.735 751 HA ALA 97 HA ALA 97 -9.110 -1.185 3.469 752 1HB ALA 97 HB1 ALA 97 -6.809 -0.759 2.764 753 2HB ALA 97 HB2 ALA 97 -7.457 -2.211 2.003 754 3HB ALA 97 HB3 ALA 97 -6.332 -2.352 3.354 755 H ARG 98 HN ARG 98 -10.064 -3.012 2.615 756 HA ARG 98 HA ARG 98 -9.302 -5.656 3.354 757 1HB ARG 98 HB2 ARG 98 -11.180 -6.363 4.613 758 2HB ARG 98 HB1 ARG 98 -10.638 -4.879 5.381 759 1HG ARG 98 HG2 ARG 98 -12.425 -3.635 4.415 760 2HG ARG 98 HG1 ARG 98 -12.884 -4.994 3.386 761 1HD ARG 98 HD2 ARG 98 -13.368 -6.304 5.446 762 2HD ARG 98 HD1 ARG 98 -13.062 -4.848 6.391 763 HE ARG 98 HE ARG 98 -14.945 -4.055 4.619 764 1HH1 ARG 98 HH11 ARG 98 -14.742 -6.761 6.832 765 2HH1 ARG 98 HH12 ARG 98 -16.454 -6.807 7.137 766 1HH2 ARG 98 HH21 ARG 98 -17.205 -4.124 5.013 767 2HH2 ARG 98 HH22 ARG 98 -17.858 -5.314 6.095 768 H VAL 99 HN VAL 99 -10.961 -7.257 2.415 769 HA VAL 99 HA VAL 99 -11.972 -6.120 -0.099 770 HB VAL 99 HB VAL 99 -11.379 -9.009 0.573 771 1HG1 VAL 99 HG11 VAL 99 -11.656 -9.402 -1.827 772 2HG1 VAL 99 HG12 VAL 99 -12.109 -7.712 -2.050 773 3HG1 VAL 99 HG13 VAL 99 -13.137 -8.783 -1.098 774 1HG2 VAL 99 HG21 VAL 99 -9.835 -7.031 -1.102 775 2HG2 VAL 99 HG22 VAL 99 -9.460 -8.746 -0.933 776 3HG2 VAL 99 HG23 VAL 99 -9.346 -7.677 0.465 777 H LYS 100 HN LYS 100 -14.042 -5.649 -0.039 778 HA LYS 100 HA LYS 100 -15.866 -7.255 1.626 779 1HB LYS 100 HB2 LYS 100 -15.638 -4.765 1.990 780 2HB LYS 100 HB1 LYS 100 -16.347 -4.537 0.406 781 1HG LYS 100 HG2 LYS 100 -18.352 -5.801 1.217 782 2HG LYS 100 HG1 LYS 100 -17.645 -5.741 2.834 783 1HD LYS 100 HD2 LYS 100 -19.183 -3.912 2.637 784 2HD LYS 100 HD1 LYS 100 -17.553 -3.251 2.618 785 1HE LYS 100 HE2 LYS 100 -18.937 -2.171 0.943 786 2HE LYS 100 HE1 LYS 100 -17.647 -3.097 0.182 787 1HZ LYS 100 HZ1 LYS 100 -20.497 -3.899 0.422 788 2HZ LYS 100 HZ2 LYS 100 -19.277 -4.895 -0.194 789 3HZ LYS 100 HZ3 LYS 100 -19.680 -3.452 -0.997 790 H ASP 101 HN ASP 101 -17.000 -8.718 0.525 791 HA ASP 101 HA ASP 101 -18.279 -9.719 -1.081 792 1HB ASP 101 HB2 ASP 101 -18.629 -6.895 -2.123 793 2HB ASP 101 HB1 ASP 101 -19.562 -8.290 -2.651 794 H GLY 102 HN GLY 102 -15.359 -8.976 -1.490 795 1HA GLY 102 HA2 GLY 102 -13.880 -9.749 -3.136 796 2HA GLY 102 HA1 GLY 102 -15.217 -9.800 -4.279 797 H VAL 103 HN VAL 103 -15.118 -6.902 -2.518 798 HA VAL 103 HA VAL 103 -13.748 -5.565 -4.768 799 HB VAL 103 HB VAL 103 -15.947 -4.449 -3.006 800 1HG1 VAL 103 HG11 VAL 103 -14.535 -3.284 -5.401 801 2HG1 VAL 103 HG12 VAL 103 -14.469 -2.696 -3.737 802 3HG1 VAL 103 HG13 VAL 103 -15.976 -2.600 -4.649 803 1HG2 VAL 103 HG21 VAL 103 -17.353 -4.558 -5.009 804 2HG2 VAL 103 HG22 VAL 103 -16.805 -6.159 -4.512 805 3HG2 VAL 103 HG23 VAL 103 -16.042 -5.353 -5.884 806 H VAL 104 HN VAL 104 -12.146 -4.117 -4.290 807 HA VAL 104 HA VAL 104 -11.005 -4.255 -1.654 808 HB VAL 104 HB VAL 104 -10.196 -2.467 -3.959 809 1HG1 VAL 104 HG11 VAL 104 -8.025 -2.384 -2.831 810 2HG1 VAL 104 HG12 VAL 104 -8.675 -3.350 -1.507 811 3HG1 VAL 104 HG13 VAL 104 -9.308 -1.733 -1.813 812 1HG2 VAL 104 HG21 VAL 104 -9.217 -5.219 -3.192 813 2HG2 VAL 104 HG22 VAL 104 -8.502 -4.193 -4.436 814 3HG2 VAL 104 HG23 VAL 104 -10.146 -4.801 -4.633 815 H GLN 105 HN GLN 105 -11.454 -2.999 0.013 816 HA GLN 105 HA GLN 105 -12.900 -0.469 -0.474 817 1HB GLN 105 HB2 GLN 105 -13.115 -2.232 1.967 818 2HB GLN 105 HB1 GLN 105 -14.148 -0.878 1.531 819 1HG GLN 105 HG2 GLN 105 -13.955 -3.219 -0.294 820 2HG GLN 105 HG1 GLN 105 -14.935 -3.332 1.163 821 1HE2 GLN 105 HE21 GLN 105 -15.750 -0.590 1.144 822 2HE2 GLN 105 HE22 GLN 105 -16.906 -0.418 -0.130 823 H LEU 106 HN LEU 106 -12.151 1.342 0.508 824 HA LEU 106 HA LEU 106 -9.954 1.037 2.455 825 1HB LEU 106 HB2 LEU 106 -10.311 3.261 0.445 826 2HB LEU 106 HB1 LEU 106 -9.016 3.133 1.615 827 HG LEU 106 HG LEU 106 -9.473 1.319 -0.751 828 1HD1 LEU 106 HD11 LEU 106 -8.588 3.508 -1.336 829 2HD1 LEU 106 HD12 LEU 106 -7.354 2.263 -1.533 830 3HD1 LEU 106 HD13 LEU 106 -7.314 3.330 -0.130 831 1HD2 LEU 106 HD21 LEU 106 -7.367 0.259 -0.107 832 2HD2 LEU 106 HD22 LEU 106 -8.595 0.059 1.143 833 3HD2 LEU 106 HD23 LEU 106 -7.311 1.251 1.350 834 H ARG 107 HN ARG 107 -10.348 1.924 4.400 835 HA ARG 107 HA ARG 107 -12.371 4.055 4.524 836 1HB ARG 107 HB2 ARG 107 -12.886 2.054 5.917 837 2HB ARG 107 HB1 ARG 107 -11.408 2.349 6.827 838 1HG ARG 107 HG2 ARG 107 -12.242 4.474 7.588 839 2HG ARG 107 HG1 ARG 107 -13.675 4.312 6.575 840 1HD ARG 107 HD2 ARG 107 -14.437 3.713 8.680 841 2HD ARG 107 HD1 ARG 107 -14.117 2.163 7.908 842 HE ARG 107 HE ARG 107 -11.851 2.438 9.171 843 1HH1 ARG 107 HH11 ARG 107 -14.997 3.426 10.324 844 2HH1 ARG 107 HH12 ARG 107 -14.642 3.114 11.990 845 1HH2 ARG 107 HH21 ARG 107 -11.361 1.999 11.360 846 2HH2 ARG 107 HH22 ARG 107 -12.561 2.319 12.589 847 H GLY 108 HN GLY 108 -11.634 5.992 4.717 848 1HA GLY 108 HA2 GLY 108 -9.449 6.539 6.582 849 2HA GLY 108 HA1 GLY 108 -9.302 7.145 4.935 850 H GLY 109 HN GLY 109 -9.471 9.311 5.317 851 1HA GLY 109 HA2 GLY 109 -11.108 11.073 5.118 852 2HA GLY 109 HA1 GLY 109 -12.123 10.184 6.245 853 H SER 110 HN SER 110 -9.282 12.181 5.908 854 HA SER 110 HA SER 110 -9.169 12.560 8.805 855 1HB SER 110 HB2 SER 110 -7.017 13.768 8.247 856 2HB SER 110 HB1 SER 110 -7.030 12.056 7.824 857 HG SER 110 HG SER 110 -7.627 14.169 6.023 Start of MODEL 4 1 HA MET 1 HA MET 1 -16.431 10.858 6.692 2 1HB MET 1 HB2 MET 1 -15.657 10.643 3.773 3 2HB MET 1 HB1 MET 1 -17.121 9.991 4.495 4 1HG MET 1 HG2 MET 1 -16.381 12.900 4.279 5 2HG MET 1 HG1 MET 1 -17.590 12.050 3.318 6 1HE MET 1 HE1 MET 1 -19.379 13.911 3.930 7 2HE MET 1 HE2 MET 1 -18.173 14.761 4.895 8 3HE MET 1 HE3 MET 1 -19.758 14.403 5.581 9 H SER 2 HN SER 2 -16.140 8.994 7.710 10 HA SER 2 HA SER 2 -13.887 7.292 6.996 11 1HB SER 2 HB2 SER 2 -14.949 5.972 9.035 12 2HB SER 2 HB1 SER 2 -13.949 7.404 9.286 13 HG SER 2 HG SER 2 -15.669 8.018 10.376 14 H GLN 3 HN GLN 3 -16.718 7.589 5.632 15 HA GLN 3 HA GLN 3 -17.822 4.997 5.625 16 1HB GLN 3 HB2 GLN 3 -17.899 7.168 3.520 17 2HB GLN 3 HB1 GLN 3 -18.848 5.688 3.447 18 1HG GLN 3 HG2 GLN 3 -19.965 6.307 5.531 19 2HG GLN 3 HG1 GLN 3 -19.026 7.798 5.588 20 1HE2 GLN 3 HE21 GLN 3 -20.876 9.065 5.536 21 2HE2 GLN 3 HE22 GLN 3 -21.806 9.265 4.088 22 H TRP 4 HN TRP 4 -16.817 3.237 5.048 23 HA TRP 4 HA TRP 4 -14.392 3.024 3.769 24 1HB TRP 4 HB2 TRP 4 -16.651 1.021 3.912 25 2HB TRP 4 HB1 TRP 4 -15.020 0.635 3.377 26 HD1 TRP 4 HD1 TRP 4 -16.993 1.536 6.534 27 HE1 TRP 4 HE1 TRP 4 -15.578 0.905 8.591 28 HE3 TRP 4 HE3 TRP 4 -12.628 0.311 4.166 29 HZ2 TRP 4 HZ2 TRP 4 -12.957 -0.000 9.129 30 HZ3 TRP 4 HZ3 TRP 4 -10.714 -0.427 5.527 31 HH2 TRP 4 HH2 TRP 4 -10.879 -0.578 7.958 32 H LYS 5 HN LYS 5 -13.871 3.720 1.868 33 HA LYS 5 HA LYS 5 -15.789 4.120 -0.227 34 1HB LYS 5 HB2 LYS 5 -14.060 5.765 0.138 35 2HB LYS 5 HB1 LYS 5 -12.803 4.556 -0.051 36 1HG LYS 5 HG2 LYS 5 -12.758 5.722 -2.048 37 2HG LYS 5 HG1 LYS 5 -13.692 4.280 -2.436 38 1HD LYS 5 HD2 LYS 5 -15.072 6.795 -1.581 39 2HD LYS 5 HD1 LYS 5 -14.517 6.605 -3.244 40 1HE LYS 5 HE2 LYS 5 -15.815 4.461 -3.331 41 2HE LYS 5 HE1 LYS 5 -16.492 4.882 -1.757 42 1HZ LYS 5 HZ1 LYS 5 -16.710 6.562 -4.196 43 2HZ LYS 5 HZ2 LYS 5 -17.456 6.855 -2.699 44 3HZ LYS 5 HZ3 LYS 5 -17.925 5.520 -3.635 45 H ASP 6 HN ASP 6 -16.471 2.382 -1.339 46 HA ASP 6 HA ASP 6 -14.957 0.134 -2.076 47 1HB ASP 6 HB2 ASP 6 -17.244 1.436 -3.580 48 2HB ASP 6 HB1 ASP 6 -16.622 -0.179 -3.887 49 H ILE 7 HN ILE 7 -13.097 0.203 -3.160 50 HA ILE 7 HA ILE 7 -12.564 2.357 -5.047 51 HB ILE 7 HB ILE 7 -10.791 0.053 -4.214 52 1HG1 ILE 7 HG12 ILE 7 -11.362 1.508 -2.311 53 2HG1 ILE 7 HG11 ILE 7 -9.665 1.668 -2.752 54 1HG2 ILE 7 HG21 ILE 7 -8.969 1.428 -5.130 55 2HG2 ILE 7 HG22 ILE 7 -10.154 2.613 -5.679 56 3HG2 ILE 7 HG23 ILE 7 -10.151 0.987 -6.363 57 1HD1 ILE 7 HD11 ILE 7 -10.650 3.819 -2.227 58 2HD1 ILE 7 HD12 ILE 7 -11.865 3.583 -3.484 59 3HD1 ILE 7 HD13 ILE 7 -10.164 3.745 -3.920 60 H CYS 8 HN CYS 8 -11.766 -1.070 -5.247 61 HA CYS 8 HA CYS 8 -13.249 -1.421 -7.708 62 1HB CYS 8 HB2 CYS 8 -10.240 -1.802 -7.603 63 2HB CYS 8 HB1 CYS 8 -11.278 -2.238 -8.955 64 HG CYS 8 HG CYS 8 -11.828 0.901 -8.322 65 H LYS 9 HN LYS 9 -12.848 -3.799 -8.453 66 HA LYS 9 HA LYS 9 -13.254 -5.450 -6.125 67 1HB LYS 9 HB2 LYS 9 -13.073 -6.234 -9.039 68 2HB LYS 9 HB1 LYS 9 -13.654 -7.253 -7.729 69 1HG LYS 9 HG2 LYS 9 -15.504 -5.681 -7.351 70 2HG LYS 9 HG1 LYS 9 -14.932 -4.710 -8.712 71 1HD LYS 9 HD2 LYS 9 -15.206 -6.689 -10.172 72 2HD LYS 9 HD1 LYS 9 -15.887 -7.565 -8.802 73 1HE LYS 9 HE2 LYS 9 -17.695 -5.930 -8.655 74 2HE LYS 9 HE1 LYS 9 -17.010 -5.045 -10.017 75 1HZ LYS 9 HZ1 LYS 9 -17.388 -6.950 -11.431 76 2HZ LYS 9 HZ2 LYS 9 -18.840 -6.503 -10.678 77 3HZ LYS 9 HZ3 LYS 9 -17.979 -7.851 -10.120 78 H ILE 10 HN ILE 10 -11.931 -7.050 -5.342 79 HA ILE 10 HA ILE 10 -9.123 -6.748 -5.784 80 HB ILE 10 HB ILE 10 -10.215 -7.436 -3.605 81 1HG1 ILE 10 HG12 ILE 10 -8.377 -8.950 -2.962 82 2HG1 ILE 10 HG11 ILE 10 -7.993 -9.197 -4.664 83 1HG2 ILE 10 HG21 ILE 10 -10.644 -9.829 -3.260 84 2HG2 ILE 10 HG22 ILE 10 -10.387 -10.111 -4.983 85 3HG2 ILE 10 HG23 ILE 10 -11.740 -9.116 -4.444 86 1HD1 ILE 10 HD11 ILE 10 -7.848 -6.576 -3.194 87 2HD1 ILE 10 HD12 ILE 10 -7.437 -6.839 -4.889 88 3HD1 ILE 10 HD13 ILE 10 -6.481 -7.604 -3.618 89 H ASP 11 HN ASP 11 -11.505 -8.307 -7.458 90 HA ASP 11 HA ASP 11 -10.157 -10.603 -8.429 91 1HB ASP 11 HB2 ASP 11 -12.593 -10.324 -8.593 92 2HB ASP 11 HB1 ASP 11 -12.372 -8.950 -9.667 93 H ASP 12 HN ASP 12 -10.041 -7.221 -9.179 94 HA ASP 12 HA ASP 12 -8.737 -7.562 -11.731 95 1HB ASP 12 HB2 ASP 12 -10.192 -5.608 -11.254 96 2HB ASP 12 HB1 ASP 12 -9.040 -5.076 -10.034 97 H ILE 13 HN ILE 13 -7.824 -6.608 -8.478 98 HA ILE 13 HA ILE 13 -5.061 -6.187 -9.146 99 HB ILE 13 HB ILE 13 -6.269 -6.489 -6.392 100 1HG1 ILE 13 HG12 ILE 13 -5.838 -3.952 -7.989 101 2HG1 ILE 13 HG11 ILE 13 -7.401 -4.724 -7.746 102 1HG2 ILE 13 HG21 ILE 13 -4.329 -5.160 -5.681 103 2HG2 ILE 13 HG22 ILE 13 -3.732 -5.152 -7.341 104 3HG2 ILE 13 HG23 ILE 13 -3.840 -6.670 -6.449 105 1HD1 ILE 13 HD11 ILE 13 -7.094 -2.841 -6.245 106 2HD1 ILE 13 HD12 ILE 13 -5.640 -3.592 -5.586 107 3HD1 ILE 13 HD13 ILE 13 -7.212 -4.354 -5.344 108 H LEU 14 HN LEU 14 -3.921 -7.904 -9.745 109 HA LEU 14 HA LEU 14 -4.376 -10.557 -8.831 110 1HB LEU 14 HB2 LEU 14 -1.996 -9.362 -10.259 111 2HB LEU 14 HB1 LEU 14 -2.309 -11.076 -10.073 112 HG LEU 14 HG LEU 14 -4.056 -9.148 -11.606 113 1HD1 LEU 14 HD11 LEU 14 -1.905 -9.530 -12.699 114 2HD1 LEU 14 HD12 LEU 14 -3.223 -10.292 -13.589 115 3HD1 LEU 14 HD13 LEU 14 -2.155 -11.273 -12.585 116 1HD2 LEU 14 HD21 LEU 14 -5.202 -11.161 -12.383 117 2HD2 LEU 14 HD22 LEU 14 -5.317 -10.993 -10.630 118 3HD2 LEU 14 HD23 LEU 14 -4.185 -12.148 -11.333 119 HA PRO 15 HA PRO 15 -1.758 -10.905 -5.226 120 1HB PRO 15 HB2 PRO 15 -0.256 -13.090 -6.555 121 2HB PRO 15 HB1 PRO 15 -1.128 -13.097 -5.018 122 1HG PRO 15 HG2 PRO 15 -2.119 -14.335 -7.165 123 2HG PRO 15 HG1 PRO 15 -3.177 -13.475 -6.030 124 1HD PRO 15 HD2 PRO 15 -2.205 -12.629 -8.731 125 2HD PRO 15 HD1 PRO 15 -3.801 -12.403 -7.983 126 H GLU 16 HN GLU 16 0.163 -10.129 -4.495 127 HA GLU 16 HA GLU 16 2.170 -9.083 -4.455 128 1HB GLU 16 HB2 GLU 16 2.672 -10.619 -7.011 129 2HB GLU 16 HB1 GLU 16 3.894 -9.753 -6.092 130 1HG GLU 16 HG2 GLU 16 3.552 -11.241 -4.201 131 2HG GLU 16 HG1 GLU 16 2.290 -12.095 -5.090 132 H THR 17 HN THR 17 -0.143 -7.877 -5.818 133 HA THR 17 HA THR 17 1.275 -6.194 -7.789 134 HB THR 17 HB THR 17 -1.682 -6.822 -7.814 135 HG1 THR 17 HG1 THR 17 -0.783 -8.692 -8.443 136 1HG2 THR 17 HG21 THR 17 -1.601 -5.886 -10.081 137 2HG2 THR 17 HG22 THR 17 0.111 -5.521 -9.871 138 3HG2 THR 17 HG23 THR 17 -1.093 -4.697 -8.881 139 H GLY 18 HN GLY 18 1.165 -4.042 -7.577 140 1HA GLY 18 HA2 GLY 18 -0.646 -2.951 -5.518 141 2HA GLY 18 HA1 GLY 18 0.956 -2.299 -5.842 142 H VAL 19 HN VAL 19 -1.941 -1.283 -6.074 143 HA VAL 19 HA VAL 19 -1.690 -0.270 -8.835 144 HB VAL 19 HB VAL 19 -4.136 -0.089 -8.942 145 1HG1 VAL 19 HG11 VAL 19 -3.078 -2.080 -9.842 146 2HG1 VAL 19 HG12 VAL 19 -4.647 -2.477 -9.143 147 3HG1 VAL 19 HG13 VAL 19 -3.169 -2.864 -8.263 148 1HG2 VAL 19 HG21 VAL 19 -4.623 0.157 -6.573 149 2HG2 VAL 19 HG22 VAL 19 -4.105 -1.502 -6.276 150 3HG2 VAL 19 HG23 VAL 19 -5.540 -1.187 -7.253 151 H CYS 20 HN CYS 20 -2.851 1.828 -9.168 152 HA CYS 20 HA CYS 20 -2.511 3.557 -6.801 153 1HB CYS 20 HB2 CYS 20 -2.363 4.344 -9.721 154 2HB CYS 20 HB1 CYS 20 -2.018 5.376 -8.337 155 HG CYS 20 HG CYS 20 0.041 3.155 -7.703 156 H ALA 21 HN ALA 21 -4.436 3.975 -5.929 157 HA ALA 21 HA ALA 21 -6.763 4.269 -7.714 158 1HB ALA 21 HB1 ALA 21 -6.685 3.532 -4.791 159 2HB ALA 21 HB2 ALA 21 -6.926 2.413 -6.134 160 3HB ALA 21 HB3 ALA 21 -8.133 3.653 -5.790 161 H LEU 22 HN LEU 22 -8.556 5.620 -6.416 162 HA LEU 22 HA LEU 22 -7.248 8.074 -5.420 163 1HB LEU 22 HB2 LEU 22 -8.443 8.006 -7.779 164 2HB LEU 22 HB1 LEU 22 -9.895 8.153 -6.813 165 HG LEU 22 HG LEU 22 -7.600 10.124 -6.800 166 1HD1 LEU 22 HD11 LEU 22 -8.778 10.136 -8.925 167 2HD1 LEU 22 HD12 LEU 22 -9.136 11.599 -8.005 168 3HD1 LEU 22 HD13 LEU 22 -10.321 10.294 -8.086 169 1HD2 LEU 22 HD21 LEU 22 -8.810 10.082 -4.680 170 2HD2 LEU 22 HD22 LEU 22 -10.337 10.283 -5.541 171 3HD2 LEU 22 HD23 LEU 22 -9.132 11.572 -5.568 172 H LEU 23 HN LEU 23 -7.862 8.662 -3.440 173 HA LEU 23 HA LEU 23 -10.440 7.676 -2.411 174 1HB LEU 23 HB2 LEU 23 -8.392 6.518 -1.464 175 2HB LEU 23 HB1 LEU 23 -7.931 8.058 -0.772 176 HG LEU 23 HG LEU 23 -10.582 6.802 -0.098 177 1HD1 LEU 23 HD11 LEU 23 -8.852 5.132 0.356 178 2HD1 LEU 23 HD12 LEU 23 -9.525 5.784 1.850 179 3HD1 LEU 23 HD13 LEU 23 -7.944 6.324 1.286 180 1HD2 LEU 23 HD21 LEU 23 -8.757 8.688 1.393 181 2HD2 LEU 23 HD22 LEU 23 -10.327 8.105 1.949 182 3HD2 LEU 23 HD23 LEU 23 -10.225 9.146 0.529 183 H GLY 24 HN GLY 24 -11.644 9.479 -2.597 184 1HA GLY 24 HA2 GLY 24 -12.450 11.553 -2.025 185 2HA GLY 24 HA1 GLY 24 -11.146 11.683 -0.852 186 H ASP 25 HN ASP 25 -9.162 12.543 -1.493 187 HA ASP 25 HA ASP 25 -9.135 13.881 -4.116 188 1HB ASP 25 HB2 ASP 25 -9.593 15.491 -2.285 189 2HB ASP 25 HB1 ASP 25 -8.082 15.020 -1.514 190 H GLU 26 HN GLU 26 -7.476 12.001 -1.760 191 HA GLU 26 HA GLU 26 -4.847 12.474 -2.909 192 1HB GLU 26 HB2 GLU 26 -5.744 10.774 -0.573 193 2HB GLU 26 HB1 GLU 26 -4.073 10.953 -1.088 194 1HG GLU 26 HG2 GLU 26 -5.855 13.176 -0.116 195 2HG GLU 26 HG1 GLU 26 -4.606 12.367 0.831 196 H GLN 27 HN GLN 27 -3.489 10.694 -3.575 197 HA GLN 27 HA GLN 27 -5.041 8.504 -4.760 198 1HB GLN 27 HB2 GLN 27 -3.047 8.133 -6.198 199 2HB GLN 27 HB1 GLN 27 -3.833 9.686 -6.429 200 1HG GLN 27 HG2 GLN 27 -2.099 10.722 -5.006 201 2HG GLN 27 HG1 GLN 27 -1.281 9.159 -4.931 202 1HE2 GLN 27 HE21 GLN 27 -2.122 11.862 -6.936 203 2HE2 GLN 27 HE22 GLN 27 -1.065 11.480 -8.256 204 H VAL 28 HN VAL 28 -4.879 6.540 -4.023 205 HA VAL 28 HA VAL 28 -2.898 6.031 -1.907 206 HB VAL 28 HB VAL 28 -5.616 4.758 -2.298 207 1HG1 VAL 28 HG11 VAL 28 -5.279 3.846 -0.050 208 2HG1 VAL 28 HG12 VAL 28 -3.650 4.524 -0.023 209 3HG1 VAL 28 HG13 VAL 28 -4.060 3.260 -1.183 210 1HG2 VAL 28 HG21 VAL 28 -6.292 6.052 -0.333 211 2HG2 VAL 28 HG22 VAL 28 -5.816 7.098 -1.669 212 3HG2 VAL 28 HG23 VAL 28 -4.716 6.842 -0.314 213 H ALA 29 HN ALA 29 -1.587 4.303 -2.049 214 HA ALA 29 HA ALA 29 -1.721 2.669 -4.463 215 1HB ALA 29 HB1 ALA 29 0.407 2.830 -2.329 216 2HB ALA 29 HB2 ALA 29 0.433 3.672 -3.879 217 3HB ALA 29 HB3 ALA 29 0.515 1.911 -3.831 218 H ILE 30 HN ILE 30 -2.782 0.823 -4.385 219 HA ILE 30 HA ILE 30 -3.223 -0.447 -1.767 220 HB ILE 30 HB ILE 30 -4.715 -0.916 -4.358 221 1HG1 ILE 30 HG12 ILE 30 -5.559 0.626 -1.892 222 2HG1 ILE 30 HG11 ILE 30 -5.082 1.350 -3.425 223 1HG2 ILE 30 HG21 ILE 30 -4.728 -2.861 -2.895 224 2HG2 ILE 30 HG22 ILE 30 -6.325 -2.113 -2.942 225 3HG2 ILE 30 HG23 ILE 30 -5.275 -1.864 -1.548 226 1HD1 ILE 30 HD11 ILE 30 -7.489 1.318 -3.200 227 2HD1 ILE 30 HD12 ILE 30 -7.463 -0.431 -2.965 228 3HD1 ILE 30 HD13 ILE 30 -6.981 0.257 -4.516 229 H PHE 31 HN PHE 31 -2.086 -2.198 -1.314 230 HA PHE 31 HA PHE 31 -0.852 -3.665 -3.550 231 1HB PHE 31 HB2 PHE 31 0.115 -3.331 -0.703 232 2HB PHE 31 HB1 PHE 31 0.889 -4.344 -1.914 233 HD1 PHE 31 HD1 PHE 31 0.430 -0.979 -0.667 234 HD2 PHE 31 HD2 PHE 31 1.994 -3.315 -3.862 235 HE1 PHE 31 HE1 PHE 31 1.788 0.936 -1.399 236 HE2 PHE 31 HE2 PHE 31 3.349 -1.401 -4.602 237 HZ PHE 31 HZ PHE 31 3.250 0.725 -3.369 238 H ARG 32 HN ARG 32 -1.651 -5.611 -3.891 239 HA ARG 32 HA ARG 32 -2.713 -7.146 -1.621 240 1HB ARG 32 HB2 ARG 32 -4.152 -7.068 -3.617 241 2HB ARG 32 HB1 ARG 32 -2.835 -7.683 -4.604 242 1HG ARG 32 HG2 ARG 32 -2.878 -9.783 -3.329 243 2HG ARG 32 HG1 ARG 32 -4.234 -9.163 -2.384 244 1HD ARG 32 HD2 ARG 32 -5.585 -8.997 -4.399 245 2HD ARG 32 HD1 ARG 32 -4.222 -9.538 -5.377 246 HE ARG 32 HE ARG 32 -4.935 -11.407 -3.323 247 1HH1 ARG 32 HH11 ARG 32 -5.774 -10.279 -6.534 248 2HH1 ARG 32 HH12 ARG 32 -6.386 -11.821 -7.056 249 1HH2 ARG 32 HH21 ARG 32 -5.765 -13.445 -4.014 250 2HH2 ARG 32 HH22 ARG 32 -6.363 -13.613 -5.638 251 HA PRO 33 HA PRO 33 1.447 -8.850 -1.983 252 1HB PRO 33 HB2 PRO 33 1.820 -9.352 0.628 253 2HB PRO 33 HB1 PRO 33 1.904 -7.715 -0.033 254 1HG PRO 33 HG2 PRO 33 -0.243 -9.009 1.556 255 2HG PRO 33 HG1 PRO 33 0.256 -7.312 1.510 256 1HD PRO 33 HD2 PRO 33 -1.941 -8.455 0.169 257 2HD PRO 33 HD1 PRO 33 -1.269 -6.835 -0.091 258 H TYR 34 HN TYR 34 -1.291 -10.356 -0.357 259 HA TYR 34 HA TYR 34 0.021 -12.967 -0.553 260 1HB TYR 34 HB2 TYR 34 -2.486 -12.130 0.925 261 2HB TYR 34 HB1 TYR 34 -1.826 -13.761 0.911 262 HD1 TYR 34 HD1 TYR 34 0.424 -14.170 1.956 263 HD2 TYR 34 HD2 TYR 34 -1.661 -10.491 2.406 264 HE1 TYR 34 HE1 TYR 34 1.822 -13.623 3.902 265 HE2 TYR 34 HE2 TYR 34 -0.268 -9.931 4.352 266 HH TYR 34 HH TYR 34 2.559 -11.659 5.149 267 H HIS 35 HN HIS 35 -1.678 -14.790 -1.005 268 HA HIS 35 HA HIS 35 -2.853 -14.168 -3.593 269 1HB HIS 35 HB2 HIS 35 -1.484 -16.275 -3.082 270 2HB HIS 35 HB1 HIS 35 -2.889 -16.846 -2.189 271 HD1 HIS 35 HD1 HIS 35 -1.456 -16.662 -5.543 272 HD2 HIS 35 HD2 HIS 35 -5.232 -17.225 -3.886 273 HE1 HIS 35 HE1 HIS 35 -2.885 -17.590 -7.396 274 HE2 HIS 35 HE2 HIS 35 -5.212 -17.705 -6.427 275 H SER 36 HN SER 36 -3.766 -14.534 -0.325 276 HA SER 36 HA SER 36 -6.562 -15.011 -0.844 277 1HB SER 36 HB2 SER 36 -5.315 -15.776 1.227 278 2HB SER 36 HB1 SER 36 -5.272 -14.088 1.737 279 HG SER 36 HG SER 36 -7.571 -15.696 1.272 280 H ASP 37 HN ASP 37 -7.746 -13.214 0.970 281 HA ASP 37 HA ASP 37 -7.757 -10.837 -0.725 282 1HB ASP 37 HB2 ASP 37 -9.882 -10.288 0.356 283 2HB ASP 37 HB1 ASP 37 -9.904 -11.933 -0.263 284 H GLN 38 HN GLN 38 -5.773 -11.522 1.520 285 HA GLN 38 HA GLN 38 -6.140 -9.358 3.394 286 1HB GLN 38 HB2 GLN 38 -5.000 -11.551 3.935 287 2HB GLN 38 HB1 GLN 38 -3.659 -11.022 2.930 288 1HG GLN 38 HG2 GLN 38 -3.056 -10.567 5.161 289 2HG GLN 38 HG1 GLN 38 -3.458 -9.018 4.421 290 1HE2 GLN 38 HE21 GLN 38 -3.432 -9.843 7.230 291 2HE2 GLN 38 HE22 GLN 38 -5.019 -9.524 7.838 292 H VAL 39 HN VAL 39 -5.871 -7.319 2.666 293 HA VAL 39 HA VAL 39 -3.604 -6.787 0.863 294 HB VAL 39 HB VAL 39 -4.949 -5.066 -0.281 295 1HG1 VAL 39 HG11 VAL 39 -6.167 -7.826 -0.336 296 2HG1 VAL 39 HG12 VAL 39 -4.769 -7.281 -1.263 297 3HG1 VAL 39 HG13 VAL 39 -6.362 -6.593 -1.582 298 1HG2 VAL 39 HG21 VAL 39 -6.544 -4.569 1.491 299 2HG2 VAL 39 HG22 VAL 39 -7.249 -6.178 1.330 300 3HG2 VAL 39 HG23 VAL 39 -7.387 -5.018 0.008 301 H PHE 40 HN PHE 40 -2.934 -4.503 0.831 302 HA PHE 40 HA PHE 40 -3.546 -3.029 3.295 303 1HB PHE 40 HB2 PHE 40 -0.767 -3.622 2.242 304 2HB PHE 40 HB1 PHE 40 -1.123 -2.482 3.535 305 HD1 PHE 40 HD1 PHE 40 -0.832 -5.993 2.615 306 HD2 PHE 40 HD2 PHE 40 -1.855 -3.269 5.720 307 HE1 PHE 40 HE1 PHE 40 -0.675 -7.816 4.261 308 HE2 PHE 40 HE2 PHE 40 -1.699 -5.085 7.370 309 HZ PHE 40 HZ PHE 40 -1.108 -7.361 6.642 310 H ALA 41 HN ALA 41 -3.141 -0.728 3.114 311 HA ALA 41 HA ALA 41 -2.627 0.249 0.406 312 1HB ALA 41 HB1 ALA 41 -5.055 -0.026 0.565 313 2HB ALA 41 HB2 ALA 41 -4.600 1.672 0.422 314 3HB ALA 41 HB3 ALA 41 -5.078 1.016 1.987 315 H ILE 42 HN ILE 42 -1.411 2.017 0.376 316 HA ILE 42 HA ILE 42 -1.341 3.785 2.707 317 HB ILE 42 HB ILE 42 1.198 3.882 2.468 318 1HG1 ILE 42 HG12 ILE 42 0.673 1.268 1.040 319 2HG1 ILE 42 HG11 ILE 42 1.440 2.700 0.364 320 1HG2 ILE 42 HG21 ILE 42 0.128 2.911 4.406 321 2HG2 ILE 42 HG22 ILE 42 1.539 1.953 3.957 322 3HG2 ILE 42 HG23 ILE 42 -0.080 1.379 3.558 323 1HD1 ILE 42 HD11 ILE 42 2.540 0.985 2.578 324 2HD1 ILE 42 HD12 ILE 42 3.310 2.424 1.910 325 3HD1 ILE 42 HD13 ILE 42 3.079 0.996 0.898 326 H SER 43 HN SER 43 0.251 5.706 2.105 327 HA SER 43 HA SER 43 -0.924 7.071 -0.041 328 1HB SER 43 HB2 SER 43 1.013 8.689 0.311 329 2HB SER 43 HB1 SER 43 0.020 8.352 1.728 330 HG SER 43 HG SER 43 2.453 7.021 1.114 331 H ASN 44 HN ASN 44 -0.554 7.049 -2.162 332 HA ASN 44 HA ASN 44 1.296 5.220 -3.301 333 1HB ASN 44 HB2 ASN 44 -0.867 5.785 -4.356 334 2HB ASN 44 HB1 ASN 44 -0.286 7.419 -4.652 335 1HD2 ASN 44 HD21 ASN 44 -0.479 7.280 -6.847 336 2HD2 ASN 44 HD22 ASN 44 0.558 6.296 -7.822 337 H ILE 45 HN ILE 45 1.232 8.754 -3.036 338 HA ILE 45 HA ILE 45 3.816 8.927 -4.346 339 HB ILE 45 HB ILE 45 2.099 11.113 -3.156 340 1HG1 ILE 45 HG12 ILE 45 2.600 10.300 -6.031 341 2HG1 ILE 45 HG11 ILE 45 1.097 10.076 -5.140 342 1HG2 ILE 45 HG21 ILE 45 3.604 12.665 -4.317 343 2HG2 ILE 45 HG22 ILE 45 4.616 11.306 -4.810 344 3HG2 ILE 45 HG23 ILE 45 4.459 11.714 -3.101 345 1HD1 ILE 45 HD11 ILE 45 2.346 12.717 -5.867 346 2HD1 ILE 45 HD12 ILE 45 0.848 12.500 -4.961 347 3HD1 ILE 45 HD13 ILE 45 0.947 11.971 -6.641 348 H ASP 46 HN ASP 46 5.536 8.434 -3.196 349 HA ASP 46 HA ASP 46 5.736 8.749 -0.372 350 1HB ASP 46 HB2 ASP 46 7.311 7.221 -0.917 351 2HB ASP 46 HB1 ASP 46 7.467 7.829 -2.559 352 HA PRO 47 HA PRO 47 6.408 13.099 -0.679 353 1HB PRO 47 HB2 PRO 47 6.051 13.671 1.904 354 2HB PRO 47 HB1 PRO 47 4.714 13.118 0.887 355 1HG PRO 47 HG2 PRO 47 6.296 11.620 2.922 356 2HG PRO 47 HG1 PRO 47 4.575 11.495 2.521 357 1HD PRO 47 HD2 PRO 47 6.607 9.787 1.627 358 2HD PRO 47 HD1 PRO 47 4.972 9.904 0.952 359 H PHE 48 HN PHE 48 8.551 10.903 0.772 360 HA PHE 48 HA PHE 48 10.247 13.005 1.876 361 1HB PHE 48 HB2 PHE 48 9.892 10.877 3.142 362 2HB PHE 48 HB1 PHE 48 10.750 10.024 1.861 363 HD1 PHE 48 HD1 PHE 48 11.113 12.684 4.410 364 HD2 PHE 48 HD2 PHE 48 13.097 9.927 1.843 365 HE1 PHE 48 HE1 PHE 48 13.252 13.206 5.509 366 HE2 PHE 48 HE2 PHE 48 15.239 10.446 2.937 367 HZ PHE 48 HZ PHE 48 15.318 12.087 4.772 368 H PHE 49 HN PHE 49 10.560 10.318 -0.440 369 HA PHE 49 HA PHE 49 13.019 11.545 -1.469 370 1HB PHE 49 HB2 PHE 49 12.953 9.119 -0.836 371 2HB PHE 49 HB1 PHE 49 11.790 8.856 -2.127 372 HD1 PHE 49 HD1 PHE 49 15.257 9.972 -1.450 373 HD2 PHE 49 HD2 PHE 49 12.501 8.433 -4.303 374 HE1 PHE 49 HE1 PHE 49 17.109 9.576 -3.022 375 HE2 PHE 49 HE2 PHE 49 14.345 8.040 -5.882 376 HZ PHE 49 HZ PHE 49 16.656 8.607 -5.239 377 H GLU 50 HN GLU 50 9.775 11.535 -2.047 378 HA GLU 50 HA GLU 50 8.403 12.235 -3.685 379 1HB GLU 50 HB2 GLU 50 10.972 13.127 -4.973 380 2HB GLU 50 HB1 GLU 50 9.407 13.333 -5.745 381 1HG GLU 50 HG2 GLU 50 8.691 14.603 -3.697 382 2HG GLU 50 HG1 GLU 50 10.383 14.571 -3.192 383 H SER 51 HN SER 51 8.122 9.870 -3.751 384 HA SER 51 HA SER 51 8.781 8.860 -6.430 385 1HB SER 51 HB2 SER 51 7.641 7.343 -4.068 386 2HB SER 51 HB1 SER 51 8.220 6.652 -5.584 387 HG SER 51 HG SER 51 9.719 7.906 -3.520 388 H SER 52 HN SER 52 7.252 9.250 -7.900 389 HA SER 52 HA SER 52 4.669 10.174 -7.165 390 1HB SER 52 HB2 SER 52 4.291 9.929 -9.712 391 2HB SER 52 HB1 SER 52 5.508 11.078 -9.156 392 HG SER 52 HG SER 52 6.356 9.817 -10.819 393 H VAL 53 HN VAL 53 5.958 7.067 -8.099 394 HA VAL 53 HA VAL 53 3.288 5.916 -7.595 395 HB VAL 53 HB VAL 53 5.365 4.582 -9.325 396 1HG1 VAL 53 HG11 VAL 53 3.431 3.346 -10.189 397 2HG1 VAL 53 HG12 VAL 53 2.382 4.231 -9.081 398 3HG1 VAL 53 HG13 VAL 53 3.624 3.150 -8.447 399 1HG2 VAL 53 HG21 VAL 53 4.898 6.700 -10.399 400 2HG2 VAL 53 HG22 VAL 53 3.162 6.408 -10.271 401 3HG2 VAL 53 HG23 VAL 53 4.156 5.382 -11.307 402 H LEU 54 HN LEU 54 3.287 4.727 -5.781 403 HA LEU 54 HA LEU 54 5.797 3.622 -4.779 404 1HB LEU 54 HB2 LEU 54 4.004 4.778 -3.332 405 2HB LEU 54 HB1 LEU 54 3.084 3.298 -3.517 406 HG LEU 54 HG LEU 54 4.956 2.040 -2.477 407 1HD1 LEU 54 HD11 LEU 54 6.720 3.257 -1.331 408 2HD1 LEU 54 HD12 LEU 54 6.087 4.786 -1.944 409 3HD1 LEU 54 HD13 LEU 54 6.760 3.598 -3.062 410 1HD2 LEU 54 HD21 LEU 54 3.854 4.325 -0.848 411 2HD2 LEU 54 HD22 LEU 54 4.553 2.841 -0.201 412 3HD2 LEU 54 HD23 LEU 54 3.061 2.775 -1.138 413 H SER 55 HN SER 55 2.949 2.755 -6.450 414 HA SER 55 HA SER 55 2.904 -0.029 -5.980 415 1HB SER 55 HB2 SER 55 1.911 1.318 -8.487 416 2HB SER 55 HB1 SER 55 1.245 -0.091 -7.657 417 HG SER 55 HG SER 55 0.099 1.201 -6.469 418 H ARG 56 HN ARG 56 5.124 1.868 -7.628 419 HA ARG 56 HA ARG 56 5.848 -0.131 -9.620 420 1HB ARG 56 HB2 ARG 56 5.898 2.340 -10.130 421 2HB ARG 56 HB1 ARG 56 7.232 2.490 -8.995 422 1HG ARG 56 HG2 ARG 56 8.371 0.683 -10.445 423 2HG ARG 56 HG1 ARG 56 7.166 1.125 -11.654 424 1HD ARG 56 HD2 ARG 56 8.944 3.142 -10.316 425 2HD ARG 56 HD1 ARG 56 9.412 2.297 -11.787 426 HE ARG 56 HE ARG 56 6.862 3.578 -12.016 427 1HH1 ARG 56 HH11 ARG 56 10.313 4.088 -12.154 428 2HH1 ARG 56 HH12 ARG 56 10.209 5.434 -13.238 429 1HH2 ARG 56 HH21 ARG 56 6.712 5.375 -13.455 430 2HH2 ARG 56 HH22 ARG 56 8.174 6.174 -13.962 431 H GLY 57 HN GLY 57 6.048 -1.078 -7.020 432 1HA GLY 57 HA2 GLY 57 8.966 -1.295 -6.693 433 2HA GLY 57 HA1 GLY 57 7.947 -0.945 -5.303 434 H LEU 58 HN LEU 58 9.563 -3.123 -5.241 435 HA LEU 58 HA LEU 58 7.831 -5.394 -5.931 436 1HB LEU 58 HB2 LEU 58 9.911 -6.756 -5.821 437 2HB LEU 58 HB1 LEU 58 9.909 -5.546 -7.085 438 HG LEU 58 HG LEU 58 11.216 -4.118 -5.288 439 1HD1 LEU 58 HD11 LEU 58 12.696 -5.500 -3.919 440 2HD1 LEU 58 HD12 LEU 58 11.831 -6.946 -4.439 441 3HD1 LEU 58 HD13 LEU 58 11.006 -5.726 -3.471 442 1HD2 LEU 58 HD21 LEU 58 12.064 -4.764 -7.474 443 2HD2 LEU 58 HD22 LEU 58 12.470 -6.366 -6.855 444 3HD2 LEU 58 HD23 LEU 58 13.309 -4.942 -6.237 445 H ILE 59 HN ILE 59 7.586 -7.100 -4.448 446 HA ILE 59 HA ILE 59 7.798 -6.237 -1.664 447 HB ILE 59 HB ILE 59 6.358 -8.635 -2.827 448 1HG1 ILE 59 HG12 ILE 59 5.253 -5.972 -1.891 449 2HG1 ILE 59 HG11 ILE 59 5.420 -6.461 -3.573 450 1HG2 ILE 59 HG21 ILE 59 6.267 -7.417 -0.066 451 2HG2 ILE 59 HG22 ILE 59 6.977 -8.971 -0.502 452 3HG2 ILE 59 HG23 ILE 59 5.237 -8.728 -0.640 453 1HD1 ILE 59 HD11 ILE 59 3.677 -7.798 -1.519 454 2HD1 ILE 59 HD12 ILE 59 3.828 -8.264 -3.214 455 3HD1 ILE 59 HD13 ILE 59 3.133 -6.699 -2.787 456 H ALA 60 HN ALA 60 9.518 -6.845 -0.556 457 HA ALA 60 HA ALA 60 10.888 -9.334 -1.340 458 1HB ALA 60 HB1 ALA 60 12.116 -6.840 -0.171 459 2HB ALA 60 HB2 ALA 60 12.198 -7.335 -1.863 460 3HB ALA 60 HB3 ALA 60 12.976 -8.313 -0.618 461 H GLU 61 HN GLU 61 11.593 -10.702 0.227 462 HA GLU 61 HA GLU 61 10.179 -10.589 2.739 463 1HB GLU 61 HB2 GLU 61 10.972 -12.598 1.046 464 2HB GLU 61 HB1 GLU 61 12.177 -12.714 2.320 465 1HG GLU 61 HG2 GLU 61 9.231 -12.671 2.888 466 2HG GLU 61 HG1 GLU 61 10.112 -14.158 2.547 467 H HIS 62 HN HIS 62 11.416 -11.164 4.786 468 HA HIS 62 HA HIS 62 14.165 -10.130 4.816 469 1HB HIS 62 HB2 HIS 62 12.625 -8.258 5.415 470 2HB HIS 62 HB1 HIS 62 12.029 -9.219 6.761 471 HD1 HIS 62 HD1 HIS 62 15.069 -7.314 5.608 472 HD2 HIS 62 HD2 HIS 62 13.647 -9.224 9.021 473 HE1 HIS 62 HE1 HIS 62 16.620 -6.639 7.462 474 HE2 HIS 62 HE2 HIS 62 15.669 -7.687 9.539 475 H GLN 63 HN GLN 63 11.609 -11.424 6.955 476 HA GLN 63 HA GLN 63 13.054 -13.799 7.545 477 1HB GLN 63 HB2 GLN 63 13.474 -13.419 9.933 478 2HB GLN 63 HB1 GLN 63 14.395 -12.299 8.943 479 1HG GLN 63 HG2 GLN 63 12.864 -10.518 9.445 480 2HG GLN 63 HG1 GLN 63 11.802 -11.626 10.311 481 1HE2 GLN 63 HE21 GLN 63 15.282 -11.800 10.527 482 2HE2 GLN 63 HE22 GLN 63 15.402 -11.254 12.168 483 H GLY 64 HN GLY 64 10.478 -13.022 6.641 484 1HA GLY 64 HA2 GLY 64 8.430 -14.240 7.186 485 2HA GLY 64 HA1 GLY 64 8.750 -13.887 8.882 486 H GLU 65 HN GLU 65 9.214 -11.619 6.262 487 HA GLU 65 HA GLU 65 6.915 -10.039 7.171 488 1HB GLU 65 HB2 GLU 65 9.659 -8.841 6.802 489 2HB GLU 65 HB1 GLU 65 8.223 -8.051 7.433 490 1HG GLU 65 HG2 GLU 65 8.316 -9.471 9.417 491 2HG GLU 65 HG1 GLU 65 9.762 -10.257 8.780 492 H LEU 66 HN LEU 66 6.167 -8.549 5.611 493 HA LEU 66 HA LEU 66 7.338 -8.935 2.937 494 1HB LEU 66 HB2 LEU 66 4.510 -8.201 3.696 495 2HB LEU 66 HB1 LEU 66 5.118 -8.254 2.053 496 HG LEU 66 HG LEU 66 4.828 -10.592 3.940 497 1HD1 LEU 66 HD11 LEU 66 3.214 -11.383 2.287 498 2HD1 LEU 66 HD12 LEU 66 3.449 -9.907 1.351 499 3HD1 LEU 66 HD13 LEU 66 2.737 -9.826 2.962 500 1HD2 LEU 66 HD21 LEU 66 5.585 -11.971 2.058 501 2HD2 LEU 66 HD22 LEU 66 6.841 -10.859 2.602 502 3HD2 LEU 66 HD23 LEU 66 5.931 -10.509 1.133 503 H TRP 67 HN TRP 67 8.728 -7.330 2.685 504 HA TRP 67 HA TRP 67 7.909 -4.595 3.376 505 1HB TRP 67 HB2 TRP 67 10.630 -5.751 2.716 506 2HB TRP 67 HB1 TRP 67 10.327 -4.045 3.010 507 HD1 TRP 67 HD1 TRP 67 10.314 -7.429 4.873 508 HE1 TRP 67 HE1 TRP 67 10.675 -6.968 7.386 509 HE3 TRP 67 HE3 TRP 67 10.159 -2.319 4.778 510 HZ2 TRP 67 HZ2 TRP 67 10.862 -4.721 9.087 511 HZ3 TRP 67 HZ3 TRP 67 10.439 -1.091 6.892 512 HH2 TRP 67 HH2 TRP 67 10.785 -2.270 9.001 513 H VAL 68 HN VAL 68 7.617 -3.080 1.807 514 HA VAL 68 HA VAL 68 7.929 -3.984 -0.962 515 HB VAL 68 HB VAL 68 5.737 -3.068 -0.449 516 1HG1 VAL 68 HG11 VAL 68 7.170 -0.528 0.310 517 2HG1 VAL 68 HG12 VAL 68 6.299 -1.606 1.401 518 3HG1 VAL 68 HG13 VAL 68 5.423 -0.713 0.157 519 1HG2 VAL 68 HG21 VAL 68 5.588 -1.354 -2.191 520 2HG2 VAL 68 HG22 VAL 68 6.592 -2.717 -2.690 521 3HG2 VAL 68 HG23 VAL 68 7.345 -1.203 -2.186 522 H ALA 69 HN ALA 69 9.642 -3.412 -2.077 523 HA ALA 69 HA ALA 69 11.338 -1.272 -0.995 524 1HB ALA 69 HB1 ALA 69 12.362 -3.496 -1.141 525 2HB ALA 69 HB2 ALA 69 13.175 -2.332 -2.187 526 3HB ALA 69 HB3 ALA 69 12.063 -3.514 -2.879 527 H SER 70 HN SER 70 11.361 0.580 -2.004 528 HA SER 70 HA SER 70 10.316 0.869 -4.682 529 1HB SER 70 HB2 SER 70 9.822 2.590 -3.010 530 2HB SER 70 HB1 SER 70 11.544 2.891 -2.781 531 HG SER 70 HG SER 70 10.162 4.261 -4.322 532 HA PRO 71 HA PRO 71 14.436 -0.006 -6.269 533 1HB PRO 71 HB2 PRO 71 13.144 0.255 -8.889 534 2HB PRO 71 HB1 PRO 71 13.923 -1.153 -8.162 535 1HG PRO 71 HG2 PRO 71 11.254 -1.020 -8.505 536 2HG PRO 71 HG1 PRO 71 11.987 -1.857 -7.124 537 1HD PRO 71 HD2 PRO 71 10.757 0.875 -7.250 538 2HD PRO 71 HD1 PRO 71 10.586 -0.381 -6.002 539 H LEU 72 HN LEU 72 12.503 2.739 -6.623 540 HA LEU 72 HA LEU 72 14.032 4.256 -8.451 541 1HB LEU 72 HB2 LEU 72 12.376 5.262 -6.132 542 2HB LEU 72 HB1 LEU 72 12.863 6.183 -7.543 543 HG LEU 72 HG LEU 72 11.001 3.804 -7.604 544 1HD1 LEU 72 HD11 LEU 72 9.983 5.680 -6.442 545 2HD1 LEU 72 HD12 LEU 72 9.237 5.442 -8.023 546 3HD1 LEU 72 HD13 LEU 72 10.396 6.749 -7.784 547 1HD2 LEU 72 HD21 LEU 72 10.511 4.557 -9.890 548 2HD2 LEU 72 HD22 LEU 72 12.201 4.084 -9.696 549 3HD2 LEU 72 HD23 LEU 72 11.763 5.791 -9.741 550 H LYS 73 HN LYS 73 14.367 3.470 -5.094 551 HA LYS 73 HA LYS 73 17.004 4.740 -5.103 552 1HB LYS 73 HB2 LYS 73 15.493 6.277 -3.903 553 2HB LYS 73 HB1 LYS 73 15.010 4.974 -2.831 554 1HG LYS 73 HG2 LYS 73 16.575 6.385 -1.696 555 2HG LYS 73 HG1 LYS 73 17.342 4.834 -2.022 556 1HD LYS 73 HD2 LYS 73 18.596 5.757 -3.839 557 2HD LYS 73 HD1 LYS 73 17.704 7.280 -3.743 558 1HE LYS 73 HE2 LYS 73 18.623 7.682 -1.516 559 2HE LYS 73 HE1 LYS 73 19.493 6.152 -1.591 560 1HZ LYS 73 HZ1 LYS 73 20.890 8.087 -2.111 561 2HZ LYS 73 HZ2 LYS 73 19.917 8.423 -3.462 562 3HZ LYS 73 HZ3 LYS 73 20.813 6.983 -3.393 563 H LYS 74 HN LYS 74 15.502 3.365 -2.280 564 HA LYS 74 HA LYS 74 16.143 0.651 -2.632 565 1HB LYS 74 HB2 LYS 74 18.341 2.350 -1.753 566 2HB LYS 74 HB1 LYS 74 17.966 1.106 -0.569 567 1HG LYS 74 HG2 LYS 74 18.212 -0.608 -2.302 568 2HG LYS 74 HG1 LYS 74 18.607 0.649 -3.476 569 1HD LYS 74 HD2 LYS 74 20.579 1.259 -2.197 570 2HD LYS 74 HD1 LYS 74 20.168 0.069 -0.960 571 1HE LYS 74 HE2 LYS 74 20.843 -0.519 -3.840 572 2HE LYS 74 HE1 LYS 74 21.900 -0.778 -2.454 573 1HZ LYS 74 HZ1 LYS 74 20.153 -2.311 -1.578 574 2HZ LYS 74 HZ2 LYS 74 20.918 -2.845 -2.995 575 3HZ LYS 74 HZ3 LYS 74 19.362 -2.183 -3.076 576 H GLN 75 HN GLN 75 14.175 2.573 -1.542 577 HA GLN 75 HA GLN 75 14.265 2.320 1.332 578 1HB GLN 75 HB2 GLN 75 12.228 3.565 -0.521 579 2HB GLN 75 HB1 GLN 75 12.153 3.636 1.234 580 1HG GLN 75 HG2 GLN 75 14.429 4.715 -0.407 581 2HG GLN 75 HG1 GLN 75 13.066 5.678 0.165 582 1HE2 GLN 75 HE21 GLN 75 12.895 6.166 2.325 583 2HE2 GLN 75 HE22 GLN 75 14.197 5.953 3.448 584 H ARG 76 HN ARG 76 13.291 0.792 2.501 585 HA ARG 76 HA ARG 76 11.249 -0.873 1.176 586 1HB ARG 76 HB2 ARG 76 13.122 -1.590 3.442 587 2HB ARG 76 HB1 ARG 76 11.859 -2.639 2.812 588 1HG ARG 76 HG2 ARG 76 12.972 -2.665 0.632 589 2HG ARG 76 HG1 ARG 76 14.246 -1.629 1.277 590 1HD ARG 76 HD2 ARG 76 14.967 -3.947 1.264 591 2HD ARG 76 HD1 ARG 76 14.808 -3.364 2.920 592 HE ARG 76 HE ARG 76 12.466 -4.508 2.658 593 1HH1 ARG 76 HH11 ARG 76 15.561 -5.662 1.501 594 2HH1 ARG 76 HH12 ARG 76 15.127 -7.346 1.617 595 1HH2 ARG 76 HH21 ARG 76 11.898 -6.733 2.835 596 2HH2 ARG 76 HH22 ARG 76 13.059 -7.950 2.397 597 H PHE 77 HN PHE 77 9.260 -0.708 1.913 598 HA PHE 77 HA PHE 77 8.828 0.479 4.580 599 1HB PHE 77 HB2 PHE 77 6.964 0.435 2.193 600 2HB PHE 77 HB1 PHE 77 6.630 1.196 3.742 601 HD1 PHE 77 HD1 PHE 77 7.646 3.295 4.340 602 HD2 PHE 77 HD2 PHE 77 8.528 1.423 0.623 603 HE1 PHE 77 HE1 PHE 77 8.629 5.395 3.518 604 HE2 PHE 77 HE2 PHE 77 9.518 3.517 -0.203 605 HZ PHE 77 HZ PHE 77 9.567 5.508 1.245 606 H ARG 78 HN ARG 78 7.445 -0.520 6.016 607 HA ARG 78 HA ARG 78 6.734 -3.283 5.416 608 1HB ARG 78 HB2 ARG 78 7.797 -2.594 7.604 609 2HB ARG 78 HB1 ARG 78 6.298 -1.762 7.993 610 1HG ARG 78 HG2 ARG 78 5.079 -3.831 7.975 611 2HG ARG 78 HG1 ARG 78 6.500 -4.707 7.403 612 1HD ARG 78 HD2 ARG 78 6.253 -5.089 9.763 613 2HD ARG 78 HD1 ARG 78 7.672 -4.078 9.495 614 HE ARG 78 HE ARG 78 5.097 -2.866 10.264 615 1HH1 ARG 78 HH11 ARG 78 8.469 -3.535 10.968 616 2HH1 ARG 78 HH12 ARG 78 8.549 -2.382 12.265 617 1HH2 ARG 78 HH21 ARG 78 5.194 -1.401 11.990 618 2HH2 ARG 78 HH22 ARG 78 6.696 -1.172 12.855 619 H LEU 79 HN LEU 79 4.847 -3.740 4.553 620 HA LEU 79 HA LEU 79 2.992 -1.834 3.789 621 1HB LEU 79 HB2 LEU 79 2.675 -4.817 4.064 622 2HB LEU 79 HB1 LEU 79 1.517 -3.780 3.252 623 HG LEU 79 HG LEU 79 4.398 -4.114 2.416 624 1HD1 LEU 79 HD11 LEU 79 3.149 -6.179 2.107 625 2HD1 LEU 79 HD12 LEU 79 3.498 -5.418 0.554 626 3HD1 LEU 79 HD13 LEU 79 1.882 -5.300 1.252 627 1HD2 LEU 79 HD21 LEU 79 3.685 -2.964 0.382 628 2HD2 LEU 79 HD22 LEU 79 3.447 -1.949 1.805 629 3HD2 LEU 79 HD23 LEU 79 2.069 -2.758 1.058 630 H SER 80 HN SER 80 3.048 -3.714 6.743 631 HA SER 80 HA SER 80 0.298 -3.550 7.328 632 1HB SER 80 HB2 SER 80 1.070 -4.127 9.674 633 2HB SER 80 HB1 SER 80 1.567 -5.240 8.401 634 HG SER 80 HG SER 80 3.133 -4.192 10.110 635 H ASP 81 HN ASP 81 3.012 -1.460 8.220 636 HA ASP 81 HA ASP 81 1.109 0.305 9.620 637 1HB ASP 81 HB2 ASP 81 4.121 0.145 9.877 638 2HB ASP 81 HB1 ASP 81 3.089 1.277 10.742 639 H GLY 82 HN GLY 82 2.972 0.040 6.805 640 1HA GLY 82 HA2 GLY 82 3.534 1.569 5.164 641 2HA GLY 82 HA1 GLY 82 2.595 2.778 6.039 642 H LEU 83 HN LEU 83 5.064 0.906 7.548 643 HA LEU 83 HA LEU 83 6.433 3.342 8.341 644 1HB LEU 83 HB2 LEU 83 5.765 1.570 9.976 645 2HB LEU 83 HB1 LEU 83 6.900 0.484 9.198 646 HG LEU 83 HG LEU 83 8.563 2.516 9.752 647 1HD1 LEU 83 HD11 LEU 83 8.074 3.390 11.972 648 2HD1 LEU 83 HD12 LEU 83 6.512 2.572 11.956 649 3HD1 LEU 83 HD13 LEU 83 6.841 3.868 10.806 650 1HD2 LEU 83 HD21 LEU 83 7.757 0.337 11.674 651 2HD2 LEU 83 HD22 LEU 83 9.274 1.236 11.705 652 3HD2 LEU 83 HD23 LEU 83 8.904 0.180 10.343 653 H CYS 84 HN CYS 84 8.447 3.902 7.667 654 HA CYS 84 HA CYS 84 9.742 2.211 5.689 655 1HB CYS 84 HB2 CYS 84 9.625 4.726 5.458 656 2HB CYS 84 HB1 CYS 84 10.741 4.835 6.816 657 HG CYS 84 HG CYS 84 12.681 5.040 5.096 658 H MET 85 HN MET 85 11.834 1.357 5.952 659 HA MET 85 HA MET 85 12.221 0.053 8.372 660 1HB MET 85 HB2 MET 85 13.073 -0.634 6.114 661 2HB MET 85 HB1 MET 85 14.350 0.558 6.297 662 1HG MET 85 HG2 MET 85 15.225 -0.603 8.211 663 2HG MET 85 HG1 MET 85 13.882 -1.745 8.171 664 1HE MET 85 HE1 MET 85 16.805 -4.048 7.074 665 2HE MET 85 HE2 MET 85 15.440 -3.830 8.170 666 3HE MET 85 HE3 MET 85 16.848 -2.774 8.293 667 H GLU 86 HN GLU 86 14.515 2.480 7.046 668 HA GLU 86 HA GLU 86 15.525 2.865 9.759 669 1HB GLU 86 HB2 GLU 86 17.102 2.469 7.898 670 2HB GLU 86 HB1 GLU 86 16.547 3.948 7.130 671 1HG GLU 86 HG2 GLU 86 17.422 5.277 8.927 672 2HG GLU 86 HG1 GLU 86 17.840 3.829 9.842 673 H ASP 87 HN ASP 87 13.427 4.328 7.572 674 HA ASP 87 HA ASP 87 13.801 7.030 8.611 675 1HB ASP 87 HB2 ASP 87 12.074 6.036 6.336 676 2HB ASP 87 HB1 ASP 87 12.275 7.722 6.801 677 H GLU 88 HN GLU 88 12.401 4.605 9.878 678 HA GLU 88 HA GLU 88 9.770 4.436 9.881 679 1HB GLU 88 HB2 GLU 88 9.858 3.853 12.310 680 2HB GLU 88 HB1 GLU 88 11.036 3.030 11.300 681 1HG GLU 88 HG2 GLU 88 12.772 4.560 12.060 682 2HG GLU 88 HG1 GLU 88 11.590 5.415 13.051 683 H GLN 89 HN GLN 89 11.353 7.122 11.671 684 HA GLN 89 HA GLN 89 8.939 7.987 12.898 685 1HB GLN 89 HB2 GLN 89 11.149 8.640 13.744 686 2HB GLN 89 HB1 GLN 89 11.433 9.584 12.288 687 1HG GLN 89 HG2 GLN 89 9.638 11.089 12.855 688 2HG GLN 89 HG1 GLN 89 9.211 10.102 14.251 689 1HE2 GLN 89 HE21 GLN 89 9.494 11.832 15.655 690 2HE2 GLN 89 HE22 GLN 89 11.061 12.419 16.085 691 H PHE 90 HN PHE 90 10.367 8.584 9.788 692 HA PHE 90 HA PHE 90 8.323 10.611 9.162 693 1HB PHE 90 HB2 PHE 90 10.930 9.995 7.746 694 2HB PHE 90 HB1 PHE 90 9.806 11.277 7.314 695 HD1 PHE 90 HD1 PHE 90 12.411 10.208 9.619 696 HD2 PHE 90 HD2 PHE 90 9.596 13.267 8.705 697 HE1 PHE 90 HE1 PHE 90 13.592 11.742 11.134 698 HE2 PHE 90 HE2 PHE 90 10.772 14.806 10.222 699 HZ PHE 90 HZ PHE 90 12.772 14.044 11.440 700 H SER 91 HN SER 91 7.518 7.952 9.216 701 HA SER 91 HA SER 91 7.745 6.683 6.677 702 1HB SER 91 HB2 SER 91 5.856 6.207 8.988 703 2HB SER 91 HB1 SER 91 5.960 5.173 7.560 704 HG SER 91 HG SER 91 7.815 5.560 9.636 705 H VAL 92 HN VAL 92 5.461 5.894 5.717 706 HA VAL 92 HA VAL 92 4.384 8.378 4.649 707 HB VAL 92 HB VAL 92 3.405 6.993 2.877 708 1HG1 VAL 92 HG11 VAL 92 6.326 6.438 3.379 709 2HG1 VAL 92 HG12 VAL 92 5.654 7.863 2.585 710 3HG1 VAL 92 HG13 VAL 92 5.503 6.278 1.827 711 1HG2 VAL 92 HG21 VAL 92 3.957 4.605 2.721 712 2HG2 VAL 92 HG22 VAL 92 2.960 4.958 4.130 713 3HG2 VAL 92 HG23 VAL 92 4.691 4.677 4.323 714 H LYS 93 HN LYS 93 1.946 7.759 3.760 715 HA LYS 93 HA LYS 93 0.442 7.884 6.249 716 1HB LYS 93 HB2 LYS 93 0.277 9.535 4.293 717 2HB LYS 93 HB1 LYS 93 -0.599 8.272 3.448 718 1HG LYS 93 HG2 LYS 93 -2.296 8.280 5.220 719 2HG LYS 93 HG1 LYS 93 -1.421 9.587 6.026 720 1HD LYS 93 HD2 LYS 93 -1.661 10.937 3.944 721 2HD LYS 93 HD1 LYS 93 -2.682 9.658 3.289 722 1HE LYS 93 HE2 LYS 93 -4.123 11.336 4.162 723 2HE LYS 93 HE1 LYS 93 -4.184 9.964 5.268 724 1HZ LYS 93 HZ1 LYS 93 -4.007 12.135 6.387 725 2HZ LYS 93 HZ2 LYS 93 -2.487 12.366 5.670 726 3HZ LYS 93 HZ3 LYS 93 -2.725 11.091 6.768 727 H HIS 94 HN HIS 94 -0.736 6.234 7.006 728 HA HIS 94 HA HIS 94 -1.136 3.909 5.240 729 1HB HIS 94 HB2 HIS 94 0.260 3.364 7.120 730 2HB HIS 94 HB1 HIS 94 -0.866 4.115 8.242 731 HD1 HIS 94 HD1 HIS 94 -2.165 2.466 9.514 732 HD2 HIS 94 HD2 HIS 94 -1.179 1.037 5.730 733 HE1 HIS 94 HE1 HIS 94 -3.136 0.148 9.388 734 HE2 HIS 94 HE2 HIS 94 -2.456 -0.733 7.133 735 H TYR 95 HN TYR 95 -3.115 3.286 4.716 736 HA TYR 95 HA TYR 95 -5.396 4.514 6.119 737 1HB TYR 95 HB2 TYR 95 -5.282 3.264 3.361 738 2HB TYR 95 HB1 TYR 95 -6.693 4.024 4.088 739 HD1 TYR 95 HD1 TYR 95 -3.430 4.607 2.526 740 HD2 TYR 95 HD2 TYR 95 -6.860 6.438 4.251 741 HE1 TYR 95 HE1 TYR 95 -2.755 6.766 1.563 742 HE2 TYR 95 HE2 TYR 95 -6.194 8.602 3.295 743 HH TYR 95 HH TYR 95 -3.864 8.909 0.895 744 H GLU 96 HN GLU 96 -7.382 3.088 6.196 745 HA GLU 96 HA GLU 96 -6.605 0.379 6.979 746 1HB GLU 96 HB2 GLU 96 -9.173 1.919 7.383 747 2HB GLU 96 HB1 GLU 96 -8.909 0.270 7.930 748 1HG GLU 96 HG2 GLU 96 -7.058 1.066 9.347 749 2HG GLU 96 HG1 GLU 96 -7.408 2.716 8.834 750 H ALA 97 HN ALA 97 -7.215 -1.410 5.871 751 HA ALA 97 HA ALA 97 -8.870 -0.985 3.468 752 1HB ALA 97 HB1 ALA 97 -6.510 -1.150 2.867 753 2HB ALA 97 HB2 ALA 97 -7.419 -2.535 2.263 754 3HB ALA 97 HB3 ALA 97 -6.402 -2.704 3.694 755 H ARG 98 HN ARG 98 -10.227 -2.631 2.836 756 HA ARG 98 HA ARG 98 -10.160 -5.213 4.146 757 1HB ARG 98 HB2 ARG 98 -12.523 -5.107 4.882 758 2HB ARG 98 HB1 ARG 98 -11.510 -3.958 5.751 759 1HG ARG 98 HG2 ARG 98 -12.328 -2.143 4.392 760 2HG ARG 98 HG1 ARG 98 -13.254 -3.264 3.395 761 1HD ARG 98 HD2 ARG 98 -13.727 -3.173 6.340 762 2HD ARG 98 HD1 ARG 98 -14.408 -1.915 5.312 763 HE ARG 98 HE ARG 98 -14.946 -4.684 4.569 764 1HH1 ARG 98 HH11 ARG 98 -16.047 -1.701 6.008 765 2HH1 ARG 98 HH12 ARG 98 -17.726 -2.124 5.940 766 1HH2 ARG 98 HH21 ARG 98 -17.179 -5.266 4.475 767 2HH2 ARG 98 HH22 ARG 98 -18.373 -4.142 5.070 768 H VAL 99 HN VAL 99 -11.572 -6.750 3.096 769 HA VAL 99 HA VAL 99 -12.292 -5.904 0.377 770 HB VAL 99 HB VAL 99 -11.689 -8.658 1.463 771 1HG1 VAL 99 HG11 VAL 99 -13.437 -8.811 -0.218 772 2HG1 VAL 99 HG12 VAL 99 -11.916 -9.435 -0.854 773 3HG1 VAL 99 HG13 VAL 99 -12.478 -7.833 -1.328 774 1HG2 VAL 99 HG21 VAL 99 -9.711 -7.310 1.155 775 2HG2 VAL 99 HG22 VAL 99 -10.230 -6.859 -0.469 776 3HG2 VAL 99 HG23 VAL 99 -9.788 -8.529 -0.117 777 H LYS 100 HN LYS 100 -14.302 -5.443 0.117 778 HA LYS 100 HA LYS 100 -16.407 -6.538 1.809 779 1HB LYS 100 HB2 LYS 100 -16.447 -4.170 1.489 780 2HB LYS 100 HB1 LYS 100 -16.264 -4.332 -0.246 781 1HG LYS 100 HG2 LYS 100 -18.490 -3.733 0.055 782 2HG LYS 100 HG1 LYS 100 -18.549 -5.477 -0.201 783 1HD LYS 100 HD2 LYS 100 -18.631 -5.788 2.238 784 2HD LYS 100 HD1 LYS 100 -18.670 -4.042 2.444 785 1HE LYS 100 HE2 LYS 100 -20.909 -5.049 2.585 786 2HE LYS 100 HE1 LYS 100 -20.765 -3.911 1.247 787 1HZ LYS 100 HZ1 LYS 100 -20.590 -5.707 -0.292 788 2HZ LYS 100 HZ2 LYS 100 -21.941 -6.006 0.689 789 3HZ LYS 100 HZ3 LYS 100 -20.496 -6.858 0.953 790 H ASP 101 HN ASP 101 -16.566 -8.666 1.037 791 HA ASP 101 HA ASP 101 -17.335 -10.366 -0.265 792 1HB ASP 101 HB2 ASP 101 -18.977 -8.099 -1.401 793 2HB ASP 101 HB1 ASP 101 -19.224 -9.785 -1.841 794 H GLY 102 HN GLY 102 -14.996 -8.753 -1.205 795 1HA GLY 102 HA2 GLY 102 -13.639 -9.582 -3.050 796 2HA GLY 102 HA1 GLY 102 -15.093 -9.582 -4.035 797 H VAL 103 HN VAL 103 -15.494 -6.855 -2.410 798 HA VAL 103 HA VAL 103 -14.105 -5.249 -4.446 799 HB VAL 103 HB VAL 103 -16.382 -4.453 -2.618 800 1HG1 VAL 103 HG11 VAL 103 -16.613 -2.508 -4.044 801 2HG1 VAL 103 HG12 VAL 103 -15.255 -3.047 -5.035 802 3HG1 VAL 103 HG13 VAL 103 -14.990 -2.568 -3.356 803 1HG2 VAL 103 HG21 VAL 103 -17.803 -4.623 -4.602 804 2HG2 VAL 103 HG22 VAL 103 -17.072 -6.178 -4.199 805 3HG2 VAL 103 HG23 VAL 103 -16.430 -5.222 -5.534 806 H VAL 104 HN VAL 104 -12.478 -3.889 -3.873 807 HA VAL 104 HA VAL 104 -11.474 -3.989 -1.182 808 HB VAL 104 HB VAL 104 -10.541 -2.202 -3.441 809 1HG1 VAL 104 HG11 VAL 104 -9.137 -3.150 -0.942 810 2HG1 VAL 104 HG12 VAL 104 -9.740 -1.521 -1.242 811 3HG1 VAL 104 HG13 VAL 104 -8.419 -2.167 -2.218 812 1HG2 VAL 104 HG21 VAL 104 -9.600 -4.972 -2.690 813 2HG2 VAL 104 HG22 VAL 104 -8.860 -3.927 -3.903 814 3HG2 VAL 104 HG23 VAL 104 -10.498 -4.538 -4.144 815 H GLN 105 HN GLN 105 -12.086 -2.706 0.442 816 HA GLN 105 HA GLN 105 -13.083 -0.010 -0.225 817 1HB GLN 105 HB2 GLN 105 -13.796 -1.670 2.197 818 2HB GLN 105 HB1 GLN 105 -14.398 -0.064 1.825 819 1HG GLN 105 HG2 GLN 105 -15.356 -1.073 -0.291 820 2HG GLN 105 HG1 GLN 105 -15.003 -2.644 0.432 821 1HE2 GLN 105 HE21 GLN 105 -17.566 -1.577 -0.269 822 2HE2 GLN 105 HE22 GLN 105 -18.484 -1.447 1.184 823 H LEU 106 HN LEU 106 -12.330 1.715 0.956 824 HA LEU 106 HA LEU 106 -10.144 1.149 2.851 825 1HB LEU 106 HB2 LEU 106 -10.207 3.329 0.765 826 2HB LEU 106 HB1 LEU 106 -8.940 3.087 1.950 827 HG LEU 106 HG LEU 106 -9.635 1.172 -0.279 828 1HD1 LEU 106 HD11 LEU 106 -8.602 3.226 -1.094 829 2HD1 LEU 106 HD12 LEU 106 -7.491 1.863 -1.227 830 3HD1 LEU 106 HD13 LEU 106 -7.292 3.039 0.071 831 1HD2 LEU 106 HD21 LEU 106 -8.774 0.028 1.694 832 2HD2 LEU 106 HD22 LEU 106 -7.395 1.125 1.737 833 3HD2 LEU 106 HD23 LEU 106 -7.592 0.011 0.384 834 H ARG 107 HN ARG 107 -10.112 2.346 4.684 835 HA ARG 107 HA ARG 107 -11.938 4.654 4.830 836 1HB ARG 107 HB2 ARG 107 -12.606 2.966 6.444 837 2HB ARG 107 HB1 ARG 107 -10.965 2.859 7.067 838 1HG ARG 107 HG2 ARG 107 -11.101 5.021 8.031 839 2HG ARG 107 HG1 ARG 107 -12.607 5.373 7.183 840 1HD ARG 107 HD2 ARG 107 -13.067 4.864 9.502 841 2HD ARG 107 HD1 ARG 107 -13.722 3.598 8.468 842 HE ARG 107 HE ARG 107 -11.097 2.972 9.424 843 1HH1 ARG 107 HH11 ARG 107 -14.480 3.020 10.359 844 2HH1 ARG 107 HH12 ARG 107 -14.307 1.707 11.489 845 1HH2 ARG 107 HH21 ARG 107 -10.880 1.239 10.904 846 2HH2 ARG 107 HH22 ARG 107 -12.278 0.714 11.803 847 H GLY 108 HN GLY 108 -10.895 6.494 4.648 848 1HA GLY 108 HA2 GLY 108 -8.178 6.675 5.792 849 2HA GLY 108 HA1 GLY 108 -8.597 7.400 4.246 850 H GLY 109 HN GLY 109 -7.478 8.938 6.194 851 1HA GLY 109 HA2 GLY 109 -9.544 10.271 7.709 852 2HA GLY 109 HA1 GLY 109 -7.839 10.697 7.661 853 H SER 110 HN SER 110 -10.693 10.672 5.540 854 HA SER 110 HA SER 110 -9.977 13.403 4.737 855 1HB SER 110 HB2 SER 110 -10.941 11.221 2.866 856 2HB SER 110 HB1 SER 110 -10.619 12.897 2.418 857 HG SER 110 HG SER 110 -8.467 12.017 3.646 Start of MODEL 5 1 HA MET 1 HA MET 1 -16.501 9.575 10.514 2 1HB MET 1 HB2 MET 1 -17.560 10.543 7.849 3 2HB MET 1 HB1 MET 1 -18.134 9.100 8.672 4 1HG MET 1 HG2 MET 1 -18.304 11.922 9.699 5 2HG MET 1 HG1 MET 1 -19.629 10.963 9.042 6 1HE MET 1 HE1 MET 1 -19.861 12.406 11.825 7 2HE MET 1 HE2 MET 1 -20.577 11.134 12.815 8 3HE MET 1 HE3 MET 1 -21.127 11.378 11.157 9 H SER 2 HN SER 2 -16.755 7.437 9.224 10 HA SER 2 HA SER 2 -14.158 6.894 8.030 11 1HB SER 2 HB2 SER 2 -16.324 4.863 8.550 12 2HB SER 2 HB1 SER 2 -14.594 4.605 8.414 13 HG SER 2 HG SER 2 -15.833 4.851 10.627 14 H GLN 3 HN GLN 3 -14.025 7.307 5.912 15 HA GLN 3 HA GLN 3 -16.301 6.732 4.184 16 1HB GLN 3 HB2 GLN 3 -15.018 8.868 3.929 17 2HB GLN 3 HB1 GLN 3 -13.614 7.922 3.457 18 1HG GLN 3 HG2 GLN 3 -14.949 7.010 1.564 19 2HG GLN 3 HG1 GLN 3 -16.234 8.133 1.999 20 1HE2 GLN 3 HE21 GLN 3 -15.919 10.354 1.683 21 2HE2 GLN 3 HE22 GLN 3 -14.681 10.950 0.625 22 H TRP 4 HN TRP 4 -16.410 4.536 3.950 23 HA TRP 4 HA TRP 4 -14.030 3.077 3.105 24 1HB TRP 4 HB2 TRP 4 -16.856 2.257 3.744 25 2HB TRP 4 HB1 TRP 4 -15.767 1.163 2.902 26 HD1 TRP 4 HD1 TRP 4 -16.718 2.282 6.328 27 HE1 TRP 4 HE1 TRP 4 -15.164 1.184 8.072 28 HE3 TRP 4 HE3 TRP 4 -13.121 0.453 3.184 29 HZ2 TRP 4 HZ2 TRP 4 -12.740 -0.256 8.103 30 HZ3 TRP 4 HZ3 TRP 4 -11.218 -0.770 4.152 31 HH2 TRP 4 HH2 TRP 4 -11.034 -1.114 6.560 32 H LYS 5 HN LYS 5 -13.505 3.794 1.094 33 HA LYS 5 HA LYS 5 -15.593 4.060 -0.916 34 1HB LYS 5 HB2 LYS 5 -13.883 5.797 -0.787 35 2HB LYS 5 HB1 LYS 5 -12.621 4.602 -1.050 36 1HG LYS 5 HG2 LYS 5 -13.495 4.159 -3.286 37 2HG LYS 5 HG1 LYS 5 -14.774 5.347 -3.022 38 1HD LYS 5 HD2 LYS 5 -13.112 7.108 -2.779 39 2HD LYS 5 HD1 LYS 5 -11.812 5.931 -2.983 40 1HE LYS 5 HE2 LYS 5 -12.598 5.449 -5.246 41 2HE LYS 5 HE1 LYS 5 -13.921 6.597 -5.038 42 1HZ LYS 5 HZ1 LYS 5 -11.910 7.437 -6.270 43 2HZ LYS 5 HZ2 LYS 5 -11.076 7.389 -4.793 44 3HZ LYS 5 HZ3 LYS 5 -12.428 8.395 -4.969 45 H ASP 6 HN ASP 6 -16.154 2.444 -2.200 46 HA ASP 6 HA ASP 6 -14.707 0.001 -2.390 47 1HB ASP 6 HB2 ASP 6 -16.867 1.040 -4.246 48 2HB ASP 6 HB1 ASP 6 -16.349 -0.632 -4.081 49 H ILE 7 HN ILE 7 -12.817 -0.167 -3.425 50 HA ILE 7 HA ILE 7 -12.072 1.721 -5.489 51 HB ILE 7 HB ILE 7 -10.559 -0.722 -4.551 52 1HG1 ILE 7 HG12 ILE 7 -10.997 0.738 -2.649 53 2HG1 ILE 7 HG11 ILE 7 -9.298 0.833 -3.099 54 1HG2 ILE 7 HG21 ILE 7 -9.634 1.759 -5.993 55 2HG2 ILE 7 HG22 ILE 7 -9.791 0.146 -6.686 56 3HG2 ILE 7 HG23 ILE 7 -8.596 0.451 -5.427 57 1HD1 ILE 7 HD11 ILE 7 -11.426 2.839 -3.796 58 2HD1 ILE 7 HD12 ILE 7 -9.724 2.940 -4.246 59 3HD1 ILE 7 HD13 ILE 7 -10.194 3.018 -2.548 60 H CYS 8 HN CYS 8 -11.831 -1.790 -5.385 61 HA CYS 8 HA CYS 8 -13.445 -2.208 -7.695 62 1HB CYS 8 HB2 CYS 8 -11.609 -3.278 -9.040 63 2HB CYS 8 HB1 CYS 8 -11.472 -1.529 -8.909 64 HG CYS 8 HG CYS 8 -9.053 -3.383 -8.635 65 H LYS 9 HN LYS 9 -13.046 -4.720 -8.312 66 HA LYS 9 HA LYS 9 -13.524 -6.030 -5.780 67 1HB LYS 9 HB2 LYS 9 -13.526 -7.242 -8.547 68 2HB LYS 9 HB1 LYS 9 -14.227 -7.933 -7.088 69 1HG LYS 9 HG2 LYS 9 -15.798 -6.022 -6.990 70 2HG LYS 9 HG1 LYS 9 -15.147 -5.453 -8.527 71 1HD LYS 9 HD2 LYS 9 -15.766 -7.704 -9.482 72 2HD LYS 9 HD1 LYS 9 -16.639 -8.003 -7.977 73 1HE LYS 9 HE2 LYS 9 -17.143 -5.742 -9.908 74 2HE LYS 9 HE1 LYS 9 -18.142 -7.182 -9.714 75 1HZ LYS 9 HZ1 LYS 9 -19.080 -5.294 -8.544 76 2HZ LYS 9 HZ2 LYS 9 -17.665 -5.110 -7.631 77 3HZ LYS 9 HZ3 LYS 9 -18.622 -6.498 -7.438 78 H ILE 10 HN ILE 10 -12.506 -8.071 -5.219 79 HA ILE 10 HA ILE 10 -9.686 -7.818 -5.161 80 HB ILE 10 HB ILE 10 -11.140 -8.881 -3.392 81 1HG1 ILE 10 HG12 ILE 10 -9.478 -10.640 -2.810 82 2HG1 ILE 10 HG11 ILE 10 -8.772 -10.456 -4.412 83 1HG2 ILE 10 HG21 ILE 10 -11.093 -11.225 -5.286 84 2HG2 ILE 10 HG22 ILE 10 -12.509 -10.285 -4.819 85 3HG2 ILE 10 HG23 ILE 10 -11.667 -11.263 -3.618 86 1HD1 ILE 10 HD11 ILE 10 -8.916 -8.339 -2.281 87 2HD1 ILE 10 HD12 ILE 10 -8.236 -8.127 -3.895 88 3HD1 ILE 10 HD13 ILE 10 -7.484 -9.250 -2.762 89 H ASP 11 HN ASP 11 -11.752 -9.084 -7.484 90 HA ASP 11 HA ASP 11 -10.012 -11.084 -8.582 91 1HB ASP 11 HB2 ASP 11 -12.473 -11.143 -8.872 92 2HB ASP 11 HB1 ASP 11 -12.388 -9.656 -9.809 93 H ASP 12 HN ASP 12 -10.288 -7.670 -8.753 94 HA ASP 12 HA ASP 12 -9.061 -7.384 -11.340 95 1HB ASP 12 HB2 ASP 12 -10.705 -5.736 -10.495 96 2HB ASP 12 HB1 ASP 12 -9.567 -5.283 -9.231 97 H ILE 13 HN ILE 13 -8.115 -6.724 -8.017 98 HA ILE 13 HA ILE 13 -5.350 -6.292 -8.807 99 HB ILE 13 HB ILE 13 -6.421 -6.426 -5.984 100 1HG1 ILE 13 HG12 ILE 13 -6.092 -3.954 -7.701 101 2HG1 ILE 13 HG11 ILE 13 -7.636 -4.724 -7.357 102 1HG2 ILE 13 HG21 ILE 13 -3.999 -6.609 -6.186 103 2HG2 ILE 13 HG22 ILE 13 -4.439 -5.057 -5.474 104 3HG2 ILE 13 HG23 ILE 13 -3.955 -5.142 -7.167 105 1HD1 ILE 13 HD11 ILE 13 -5.781 -3.516 -5.322 106 2HD1 ILE 13 HD12 ILE 13 -7.336 -4.275 -4.982 107 3HD1 ILE 13 HD13 ILE 13 -7.267 -2.790 -5.936 108 H LEU 14 HN LEU 14 -4.394 -8.132 -9.411 109 HA LEU 14 HA LEU 14 -4.992 -10.657 -8.200 110 1HB LEU 14 HB2 LEU 14 -2.817 -9.875 -10.146 111 2HB LEU 14 HB1 LEU 14 -3.266 -11.517 -9.727 112 HG LEU 14 HG LEU 14 -5.026 -9.520 -11.149 113 1HD1 LEU 14 HD11 LEU 14 -3.200 -10.359 -12.534 114 2HD1 LEU 14 HD12 LEU 14 -4.756 -10.988 -13.073 115 3HD1 LEU 14 HD13 LEU 14 -3.663 -12.016 -12.147 116 1HD2 LEU 14 HD21 LEU 14 -5.513 -12.407 -10.423 117 2HD2 LEU 14 HD22 LEU 14 -6.557 -11.417 -11.445 118 3HD2 LEU 14 HD23 LEU 14 -6.338 -11.004 -9.744 119 HA PRO 15 HA PRO 15 -1.790 -11.085 -5.108 120 1HB PRO 15 HB2 PRO 15 -0.402 -13.307 -6.015 121 2HB PRO 15 HB1 PRO 15 -1.879 -13.365 -5.052 122 1HG PRO 15 HG2 PRO 15 -1.543 -13.605 -8.012 123 2HG PRO 15 HG1 PRO 15 -2.593 -14.534 -6.922 124 1HD PRO 15 HD2 PRO 15 -3.597 -12.583 -8.429 125 2HD PRO 15 HD1 PRO 15 -4.148 -12.806 -6.754 126 H GLU 16 HN GLU 16 0.245 -10.345 -4.765 127 HA GLU 16 HA GLU 16 2.234 -9.331 -5.139 128 1HB GLU 16 HB2 GLU 16 2.263 -11.130 -7.567 129 2HB GLU 16 HB1 GLU 16 3.628 -10.157 -7.038 130 1HG GLU 16 HG2 GLU 16 3.672 -11.381 -4.920 131 2HG GLU 16 HG1 GLU 16 2.324 -12.373 -5.479 132 H THR 17 HN THR 17 -0.139 -8.048 -6.024 133 HA THR 17 HA THR 17 0.945 -6.507 -8.291 134 HB THR 17 HB THR 17 -2.002 -7.018 -7.861 135 HG1 THR 17 HG1 THR 17 -1.132 -8.965 -8.466 136 1HG2 THR 17 HG21 THR 17 -0.466 -5.889 -10.204 137 2HG2 THR 17 HG22 THR 17 -1.486 -4.974 -9.095 138 3HG2 THR 17 HG23 THR 17 -2.205 -6.181 -10.160 139 H GLY 18 HN GLY 18 0.952 -4.356 -8.074 140 1HA GLY 18 HA2 GLY 18 -0.502 -3.201 -5.780 141 2HA GLY 18 HA1 GLY 18 1.069 -2.623 -6.319 142 H VAL 19 HN VAL 19 -1.698 -1.393 -6.121 143 HA VAL 19 HA VAL 19 -1.785 -0.358 -8.874 144 HB VAL 19 HB VAL 19 -4.238 -0.207 -8.753 145 1HG1 VAL 19 HG11 VAL 19 -3.182 -2.999 -8.314 146 2HG1 VAL 19 HG12 VAL 19 -3.232 -2.132 -9.848 147 3HG1 VAL 19 HG13 VAL 19 -4.734 -2.587 -9.046 148 1HG2 VAL 19 HG21 VAL 19 -3.956 -1.780 -6.192 149 2HG2 VAL 19 HG22 VAL 19 -5.473 -1.410 -7.014 150 3HG2 VAL 19 HG23 VAL 19 -4.500 -0.106 -6.332 151 H CYS 20 HN CYS 20 -2.378 1.799 -9.101 152 HA CYS 20 HA CYS 20 -2.164 3.380 -6.653 153 1HB CYS 20 HB2 CYS 20 -1.917 5.286 -8.344 154 2HB CYS 20 HB1 CYS 20 -0.607 4.113 -8.263 155 HG CYS 20 HG CYS 20 -2.932 4.518 -10.724 156 H ALA 21 HN ALA 21 -3.990 3.919 -5.714 157 HA ALA 21 HA ALA 21 -6.351 4.445 -7.399 158 1HB ALA 21 HB1 ALA 21 -6.630 2.496 -5.939 159 2HB ALA 21 HB2 ALA 21 -7.726 3.803 -5.489 160 3HB ALA 21 HB3 ALA 21 -6.274 3.501 -4.534 161 H LEU 22 HN LEU 22 -7.967 5.856 -5.919 162 HA LEU 22 HA LEU 22 -6.408 8.082 -4.799 163 1HB LEU 22 HB2 LEU 22 -8.744 8.287 -6.704 164 2HB LEU 22 HB1 LEU 22 -8.016 9.645 -5.868 165 HG LEU 22 HG LEU 22 -6.555 7.885 -7.837 166 1HD1 LEU 22 HD11 LEU 22 -8.349 9.127 -8.926 167 2HD1 LEU 22 HD12 LEU 22 -6.766 9.752 -9.388 168 3HD1 LEU 22 HD13 LEU 22 -7.750 10.625 -8.212 169 1HD2 LEU 22 HD21 LEU 22 -5.107 8.961 -6.186 170 2HD2 LEU 22 HD22 LEU 22 -5.817 10.527 -6.577 171 3HD2 LEU 22 HD23 LEU 22 -4.875 9.657 -7.788 172 H LEU 23 HN LEU 23 -7.032 8.571 -2.815 173 HA LEU 23 HA LEU 23 -9.855 8.121 -2.080 174 1HB LEU 23 HB2 LEU 23 -8.233 6.710 -0.812 175 2HB LEU 23 HB1 LEU 23 -7.468 8.176 -0.225 176 HG LEU 23 HG LEU 23 -9.639 8.809 0.843 177 1HD1 LEU 23 HD11 LEU 23 -11.142 7.503 -0.533 178 2HD1 LEU 23 HD12 LEU 23 -11.315 7.048 1.162 179 3HD1 LEU 23 HD13 LEU 23 -10.416 6.007 0.056 180 1HD2 LEU 23 HD21 LEU 23 -9.420 7.278 2.716 181 2HD2 LEU 23 HD22 LEU 23 -7.832 7.760 2.117 182 3HD2 LEU 23 HD23 LEU 23 -8.478 6.168 1.717 183 H GLY 24 HN GLY 24 -10.940 9.970 -1.901 184 1HA GLY 24 HA2 GLY 24 -11.359 12.224 -1.643 185 2HA GLY 24 HA1 GLY 24 -9.862 12.329 -0.720 186 H ASP 25 HN ASP 25 -8.120 13.256 -1.646 187 HA ASP 25 HA ASP 25 -8.073 13.415 -4.587 188 1HB ASP 25 HB2 ASP 25 -7.144 15.644 -4.521 189 2HB ASP 25 HB1 ASP 25 -8.653 15.635 -3.618 190 H GLU 26 HN GLU 26 -6.685 12.099 -1.973 191 HA GLU 26 HA GLU 26 -3.917 12.568 -2.760 192 1HB GLU 26 HB2 GLU 26 -4.571 12.617 -0.349 193 2HB GLU 26 HB1 GLU 26 -4.961 10.905 -0.462 194 1HG GLU 26 HG2 GLU 26 -2.665 10.369 -0.969 195 2HG GLU 26 HG1 GLU 26 -2.242 12.079 -1.009 196 H GLN 27 HN GLN 27 -2.496 10.931 -3.314 197 HA GLN 27 HA GLN 27 -3.729 8.775 -4.804 198 1HB GLN 27 HB2 GLN 27 -0.818 9.570 -4.585 199 2HB GLN 27 HB1 GLN 27 -1.511 8.464 -5.766 200 1HG GLN 27 HG2 GLN 27 -2.822 10.286 -6.717 201 2HG GLN 27 HG1 GLN 27 -2.152 11.396 -5.526 202 1HE2 GLN 27 HE21 GLN 27 -0.307 8.881 -7.102 203 2HE2 GLN 27 HE22 GLN 27 0.705 9.937 -8.032 204 H VAL 28 HN VAL 28 -3.998 6.823 -3.964 205 HA VAL 28 HA VAL 28 -2.321 6.021 -1.674 206 HB VAL 28 HB VAL 28 -5.099 5.030 -2.357 207 1HG1 VAL 28 HG11 VAL 28 -5.042 4.010 -0.133 208 2HG1 VAL 28 HG12 VAL 28 -3.383 4.571 0.080 209 3HG1 VAL 28 HG13 VAL 28 -3.759 3.381 -1.166 210 1HG2 VAL 28 HG21 VAL 28 -5.177 7.353 -1.664 211 2HG2 VAL 28 HG22 VAL 28 -4.216 6.977 -0.234 212 3HG2 VAL 28 HG23 VAL 28 -5.840 6.314 -0.404 213 H ALA 29 HN ALA 29 -1.172 4.186 -1.813 214 HA ALA 29 HA ALA 29 -1.338 2.660 -4.314 215 1HB ALA 29 HB1 ALA 29 0.810 2.692 -2.195 216 2HB ALA 29 HB2 ALA 29 0.856 3.575 -3.721 217 3HB ALA 29 HB3 ALA 29 0.876 1.810 -3.721 218 H ILE 30 HN ILE 30 -2.435 0.828 -4.280 219 HA ILE 30 HA ILE 30 -2.850 -0.548 -1.714 220 HB ILE 30 HB ILE 30 -4.274 -1.011 -4.340 221 1HG1 ILE 30 HG12 ILE 30 -5.241 0.512 -1.911 222 2HG1 ILE 30 HG11 ILE 30 -4.686 1.259 -3.406 223 1HG2 ILE 30 HG21 ILE 30 -5.904 -2.224 -2.961 224 2HG2 ILE 30 HG22 ILE 30 -4.893 -1.952 -1.541 225 3HG2 ILE 30 HG23 ILE 30 -4.299 -2.947 -2.870 226 1HD1 ILE 30 HD11 ILE 30 -7.091 1.207 -3.350 227 2HD1 ILE 30 HD12 ILE 30 -7.081 -0.534 -3.081 228 3HD1 ILE 30 HD13 ILE 30 -6.506 0.125 -4.613 229 H PHE 31 HN PHE 31 -1.727 -2.340 -1.313 230 HA PHE 31 HA PHE 31 -0.528 -3.759 -3.603 231 1HB PHE 31 HB2 PHE 31 0.588 -3.391 -0.817 232 2HB PHE 31 HB1 PHE 31 1.312 -4.403 -2.062 233 HD1 PHE 31 HD1 PHE 31 1.097 -1.131 -0.671 234 HD2 PHE 31 HD2 PHE 31 2.044 -3.277 -4.223 235 HE1 PHE 31 HE1 PHE 31 2.368 0.804 -1.499 236 HE2 PHE 31 HE2 PHE 31 3.314 -1.345 -5.056 237 HZ PHE 31 HZ PHE 31 3.482 0.700 -3.693 238 H ARG 32 HN ARG 32 -1.230 -5.747 -3.887 239 HA ARG 32 HA ARG 32 -2.205 -7.251 -1.549 240 1HB ARG 32 HB2 ARG 32 -3.835 -7.011 -3.406 241 2HB ARG 32 HB1 ARG 32 -2.695 -7.794 -4.490 242 1HG ARG 32 HG2 ARG 32 -2.809 -9.828 -3.107 243 2HG ARG 32 HG1 ARG 32 -4.004 -9.035 -2.080 244 1HD ARG 32 HD2 ARG 32 -5.473 -8.777 -4.044 245 2HD ARG 32 HD1 ARG 32 -4.288 -9.640 -5.022 246 HE ARG 32 HE ARG 32 -5.072 -11.156 -2.739 247 1HH1 ARG 32 HH11 ARG 32 -6.117 -10.195 -5.940 248 2HH1 ARG 32 HH12 ARG 32 -7.133 -11.586 -6.161 249 1HH2 ARG 32 HH21 ARG 32 -6.400 -12.995 -3.039 250 2HH2 ARG 32 HH22 ARG 32 -7.279 -13.187 -4.524 251 HA PRO 33 HA PRO 33 1.792 -9.222 -2.334 252 1HB PRO 33 HB2 PRO 33 2.215 -10.041 0.195 253 2HB PRO 33 HB1 PRO 33 2.464 -8.366 -0.306 254 1HG PRO 33 HG2 PRO 33 0.184 -9.584 1.180 255 2HG PRO 33 HG1 PRO 33 0.953 -8.004 1.404 256 1HD PRO 33 HD2 PRO 33 -1.418 -8.430 0.054 257 2HD PRO 33 HD1 PRO 33 -0.365 -7.020 -0.173 258 H TYR 34 HN TYR 34 -0.806 -10.682 -0.381 259 HA TYR 34 HA TYR 34 0.191 -13.348 -0.986 260 1HB TYR 34 HB2 TYR 34 -2.064 -12.380 0.778 261 2HB TYR 34 HB1 TYR 34 -1.696 -14.081 0.518 262 HD1 TYR 34 HD1 TYR 34 0.811 -14.750 1.025 263 HD2 TYR 34 HD2 TYR 34 -1.147 -11.320 2.606 264 HE1 TYR 34 HE1 TYR 34 2.421 -14.694 2.881 265 HE2 TYR 34 HE2 TYR 34 0.461 -11.253 4.464 266 HH TYR 34 HH TYR 34 1.964 -12.862 5.656 267 H HIS 35 HN HIS 35 -1.531 -15.016 -1.496 268 HA HIS 35 HA HIS 35 -2.977 -14.139 -3.854 269 1HB HIS 35 HB2 HIS 35 -1.597 -16.381 -3.411 270 2HB HIS 35 HB1 HIS 35 -3.162 -16.931 -2.824 271 HD1 HIS 35 HD1 HIS 35 -5.180 -16.265 -4.749 272 HD2 HIS 35 HD2 HIS 35 -1.279 -16.982 -5.999 273 HE1 HIS 35 HE1 HIS 35 -5.333 -16.764 -7.209 274 HE2 HIS 35 HE2 HIS 35 -2.979 -17.312 -7.920 275 H SER 36 HN SER 36 -3.558 -14.185 -0.653 276 HA SER 36 HA SER 36 -6.334 -15.065 -0.797 277 1HB SER 36 HB2 SER 36 -4.886 -14.168 1.684 278 2HB SER 36 HB1 SER 36 -6.225 -15.308 1.539 279 HG SER 36 HG SER 36 -4.867 -16.873 1.023 280 H ASP 37 HN ASP 37 -6.926 -13.349 1.593 281 HA ASP 37 HA ASP 37 -7.985 -11.164 -0.003 282 1HB ASP 37 HB2 ASP 37 -8.609 -12.039 2.823 283 2HB ASP 37 HB1 ASP 37 -9.454 -10.769 1.948 284 H GLN 38 HN GLN 38 -5.164 -11.415 1.548 285 HA GLN 38 HA GLN 38 -5.323 -9.103 3.260 286 1HB GLN 38 HB2 GLN 38 -2.952 -10.752 2.381 287 2HB GLN 38 HB1 GLN 38 -2.845 -9.397 3.495 288 1HG GLN 38 HG2 GLN 38 -2.887 -11.269 4.866 289 2HG GLN 38 HG1 GLN 38 -4.543 -10.665 4.918 290 1HE2 GLN 38 HE21 GLN 38 -5.410 -12.647 5.475 291 2HE2 GLN 38 HE22 GLN 38 -5.480 -13.983 4.370 292 H VAL 39 HN VAL 39 -5.537 -7.179 2.387 293 HA VAL 39 HA VAL 39 -3.618 -6.377 0.305 294 HB VAL 39 HB VAL 39 -5.326 -4.728 -0.500 295 1HG1 VAL 39 HG11 VAL 39 -4.941 -6.796 -1.719 296 2HG1 VAL 39 HG12 VAL 39 -6.646 -6.348 -1.784 297 3HG1 VAL 39 HG13 VAL 39 -6.112 -7.631 -0.700 298 1HG2 VAL 39 HG21 VAL 39 -7.683 -5.107 0.059 299 2HG2 VAL 39 HG22 VAL 39 -6.739 -4.653 1.479 300 3HG2 VAL 39 HG23 VAL 39 -7.202 -6.337 1.230 301 H PHE 40 HN PHE 40 -2.680 -4.352 0.563 302 HA PHE 40 HA PHE 40 -3.310 -2.959 3.085 303 1HB PHE 40 HB2 PHE 40 -0.552 -3.471 1.943 304 2HB PHE 40 HB1 PHE 40 -0.902 -2.526 3.386 305 HD1 PHE 40 HD1 PHE 40 -0.564 -5.853 1.983 306 HD2 PHE 40 HD2 PHE 40 -1.701 -3.624 5.423 307 HE1 PHE 40 HE1 PHE 40 -0.435 -7.899 3.344 308 HE2 PHE 40 HE2 PHE 40 -1.572 -5.666 6.793 309 HZ PHE 40 HZ PHE 40 -0.940 -7.805 5.753 310 H ALA 41 HN ALA 41 -3.008 -0.691 3.075 311 HA ALA 41 HA ALA 41 -2.498 0.510 0.447 312 1HB ALA 41 HB1 ALA 41 -4.760 1.260 2.291 313 2HB ALA 41 HB2 ALA 41 -4.915 0.385 0.766 314 3HB ALA 41 HB3 ALA 41 -4.352 2.058 0.771 315 H ILE 42 HN ILE 42 -1.104 2.106 0.496 316 HA ILE 42 HA ILE 42 -0.819 3.741 2.921 317 HB ILE 42 HB ILE 42 1.637 3.827 2.558 318 1HG1 ILE 42 HG12 ILE 42 1.140 1.532 0.647 319 2HG1 ILE 42 HG11 ILE 42 1.637 3.156 0.182 320 1HG2 ILE 42 HG21 ILE 42 2.148 1.618 3.518 321 2HG2 ILE 42 HG22 ILE 42 0.519 1.080 3.103 322 3HG2 ILE 42 HG23 ILE 42 0.747 2.377 4.278 323 1HD1 ILE 42 HD11 ILE 42 3.510 1.602 0.170 324 2HD1 ILE 42 HD12 ILE 42 3.234 1.247 1.875 325 3HD1 ILE 42 HD13 ILE 42 3.734 2.863 1.382 326 H SER 43 HN SER 43 0.406 5.830 2.357 327 HA SER 43 HA SER 43 -0.681 7.097 0.107 328 1HB SER 43 HB2 SER 43 1.831 7.829 1.636 329 2HB SER 43 HB1 SER 43 0.918 8.904 0.575 330 HG SER 43 HG SER 43 -0.727 8.962 2.015 331 H ASN 44 HN ASN 44 -0.082 7.173 -1.987 332 HA ASN 44 HA ASN 44 1.872 5.273 -2.881 333 1HB ASN 44 HB2 ASN 44 -0.291 5.767 -4.068 334 2HB ASN 44 HB1 ASN 44 0.383 7.322 -4.535 335 1HD2 ASN 44 HD21 ASN 44 0.160 6.782 -6.715 336 2HD2 ASN 44 HD22 ASN 44 1.248 5.692 -7.493 337 H ILE 45 HN ILE 45 1.974 8.532 -2.001 338 HA ILE 45 HA ILE 45 4.602 8.854 -3.297 339 HB ILE 45 HB ILE 45 2.700 11.089 -2.544 340 1HG1 ILE 45 HG12 ILE 45 3.371 9.983 -5.282 341 2HG1 ILE 45 HG11 ILE 45 1.836 9.784 -4.444 342 1HG2 ILE 45 HG21 ILE 45 5.302 11.126 -4.075 343 2HG2 ILE 45 HG22 ILE 45 5.050 11.722 -2.433 344 3HG2 ILE 45 HG23 ILE 45 4.254 12.516 -3.792 345 1HD1 ILE 45 HD11 ILE 45 3.013 12.394 -5.364 346 2HD1 ILE 45 HD12 ILE 45 1.466 12.190 -4.541 347 3HD1 ILE 45 HD13 ILE 45 1.708 11.505 -6.150 348 H ASP 46 HN ASP 46 6.263 9.061 -1.888 349 HA ASP 46 HA ASP 46 5.684 9.388 0.932 350 1HB ASP 46 HB2 ASP 46 7.888 8.752 1.371 351 2HB ASP 46 HB1 ASP 46 7.524 7.857 -0.099 352 HA PRO 47 HA PRO 47 6.162 13.702 0.889 353 1HB PRO 47 HB2 PRO 47 6.755 13.884 3.670 354 2HB PRO 47 HB1 PRO 47 5.177 13.991 2.891 355 1HG PRO 47 HG2 PRO 47 5.993 11.938 4.573 356 2HG PRO 47 HG1 PRO 47 4.648 11.847 3.424 357 1HD PRO 47 HD2 PRO 47 7.442 10.821 3.162 358 2HD PRO 47 HD1 PRO 47 5.917 10.111 2.587 359 H PHE 48 HN PHE 48 8.922 11.912 2.071 360 HA PHE 48 HA PHE 48 10.388 14.378 2.579 361 1HB PHE 48 HB2 PHE 48 11.131 11.499 3.099 362 2HB PHE 48 HB1 PHE 48 12.132 12.884 3.522 363 HD1 PHE 48 HD1 PHE 48 9.292 10.851 4.443 364 HD2 PHE 48 HD2 PHE 48 11.346 14.489 5.237 365 HE1 PHE 48 HE1 PHE 48 8.114 11.042 6.592 366 HE2 PHE 48 HE2 PHE 48 10.171 14.686 7.388 367 HZ PHE 48 HZ PHE 48 8.554 12.963 8.068 368 H PHE 49 HN PHE 49 10.639 11.500 0.515 369 HA PHE 49 HA PHE 49 12.862 12.812 -0.922 370 1HB PHE 49 HB2 PHE 49 13.259 10.536 0.101 371 2HB PHE 49 HB1 PHE 49 12.068 9.893 -1.025 372 HD1 PHE 49 HD1 PHE 49 12.721 9.201 -3.147 373 HD2 PHE 49 HD2 PHE 49 15.278 11.753 -0.897 374 HE1 PHE 49 HE1 PHE 49 14.481 8.931 -4.843 375 HE2 PHE 49 HE2 PHE 49 17.041 11.484 -2.592 376 HZ PHE 49 HZ PHE 49 16.643 10.072 -4.566 377 H GLU 50 HN GLU 50 9.636 12.160 -1.046 378 HA GLU 50 HA GLU 50 7.999 12.134 -2.555 379 1HB GLU 50 HB2 GLU 50 8.096 13.849 -4.338 380 2HB GLU 50 HB1 GLU 50 8.476 14.451 -2.736 381 1HG GLU 50 HG2 GLU 50 10.825 14.523 -3.281 382 2HG GLU 50 HG1 GLU 50 10.507 13.797 -4.856 383 H SER 51 HN SER 51 8.401 9.913 -3.033 384 HA SER 51 HA SER 51 9.153 9.516 -5.841 385 1HB SER 51 HB2 SER 51 8.270 7.360 -3.916 386 2HB SER 51 HB1 SER 51 9.239 7.187 -5.380 387 HG SER 51 HG SER 51 10.007 8.392 -2.917 388 H SER 52 HN SER 52 7.561 9.734 -7.280 389 HA SER 52 HA SER 52 4.973 10.413 -6.528 390 1HB SER 52 HB2 SER 52 5.836 9.456 -9.253 391 2HB SER 52 HB1 SER 52 4.477 10.519 -8.879 392 HG SER 52 HG SER 52 6.137 11.976 -7.963 393 H VAL 53 HN VAL 53 6.226 7.343 -7.689 394 HA VAL 53 HA VAL 53 3.679 6.151 -6.850 395 HB VAL 53 HB VAL 53 3.993 4.408 -8.649 396 1HG1 VAL 53 HG11 VAL 53 2.322 6.177 -8.835 397 2HG1 VAL 53 HG12 VAL 53 3.019 5.802 -10.411 398 3HG1 VAL 53 HG13 VAL 53 3.526 7.252 -9.546 399 1HG2 VAL 53 HG21 VAL 53 5.348 5.006 -10.595 400 2HG2 VAL 53 HG22 VAL 53 6.349 4.841 -9.152 401 3HG2 VAL 53 HG23 VAL 53 5.929 6.444 -9.757 402 H LEU 54 HN LEU 54 3.940 4.787 -5.253 403 HA LEU 54 HA LEU 54 6.464 3.364 -4.908 404 1HB LEU 54 HB2 LEU 54 3.952 3.335 -3.230 405 2HB LEU 54 HB1 LEU 54 5.455 2.531 -2.820 406 HG LEU 54 HG LEU 54 5.016 5.510 -3.023 407 1HD1 LEU 54 HD11 LEU 54 5.607 3.729 -0.665 408 2HD1 LEU 54 HD12 LEU 54 4.068 4.515 -1.018 409 3HD1 LEU 54 HD13 LEU 54 5.486 5.489 -0.626 410 1HD2 LEU 54 HD21 LEU 54 7.526 3.977 -2.356 411 2HD2 LEU 54 HD22 LEU 54 7.326 5.726 -2.243 412 3HD2 LEU 54 HD23 LEU 54 7.243 4.930 -3.813 413 H SER 55 HN SER 55 3.471 3.010 -6.386 414 HA SER 55 HA SER 55 3.038 0.226 -6.117 415 1HB SER 55 HB2 SER 55 2.119 2.046 -8.350 416 2HB SER 55 HB1 SER 55 1.401 0.506 -7.875 417 HG SER 55 HG SER 55 1.582 2.189 -5.767 418 H ARG 56 HN ARG 56 5.354 1.971 -7.877 419 HA ARG 56 HA ARG 56 5.687 -0.103 -9.901 420 1HB ARG 56 HB2 ARG 56 5.967 2.491 -10.250 421 2HB ARG 56 HB1 ARG 56 7.570 2.210 -9.583 422 1HG ARG 56 HG2 ARG 56 7.765 0.365 -11.358 423 2HG ARG 56 HG1 ARG 56 6.377 1.140 -12.116 424 1HD ARG 56 HD2 ARG 56 9.095 2.326 -11.589 425 2HD ARG 56 HD1 ARG 56 8.359 1.977 -13.150 426 HE ARG 56 HE ARG 56 7.846 4.259 -11.435 427 1HH1 ARG 56 HH11 ARG 56 6.801 2.403 -14.230 428 2HH1 ARG 56 HH12 ARG 56 5.963 3.753 -14.950 429 1HH2 ARG 56 HH21 ARG 56 6.762 6.015 -12.402 430 2HH2 ARG 56 HH22 ARG 56 5.938 5.790 -13.915 431 H GLY 57 HN GLY 57 6.042 -1.008 -7.306 432 1HA GLY 57 HA2 GLY 57 8.944 -1.494 -7.231 433 2HA GLY 57 HA1 GLY 57 8.091 -1.021 -5.767 434 H LEU 58 HN LEU 58 9.498 -3.345 -5.793 435 HA LEU 58 HA LEU 58 7.626 -5.499 -6.424 436 1HB LEU 58 HB2 LEU 58 10.543 -5.532 -5.660 437 2HB LEU 58 HB1 LEU 58 9.581 -6.984 -5.825 438 HG LEU 58 HG LEU 58 10.799 -6.785 -7.829 439 1HD1 LEU 58 HD11 LEU 58 8.041 -5.693 -8.347 440 2HD1 LEU 58 HD12 LEU 58 8.475 -7.393 -8.172 441 3HD1 LEU 58 HD13 LEU 58 9.087 -6.464 -9.539 442 1HD2 LEU 58 HD21 LEU 58 9.892 -3.914 -7.998 443 2HD2 LEU 58 HD22 LEU 58 10.848 -4.767 -9.210 444 3HD2 LEU 58 HD23 LEU 58 11.518 -4.473 -7.606 445 H ILE 59 HN ILE 59 6.851 -6.928 -4.931 446 HA ILE 59 HA ILE 59 7.030 -6.051 -2.129 447 HB ILE 59 HB ILE 59 5.005 -7.901 -3.409 448 1HG1 ILE 59 HG12 ILE 59 4.677 -5.003 -2.595 449 2HG1 ILE 59 HG11 ILE 59 4.876 -5.559 -4.254 450 1HG2 ILE 59 HG21 ILE 59 5.324 -8.299 -1.026 451 2HG2 ILE 59 HG22 ILE 59 3.743 -7.581 -1.338 452 3HG2 ILE 59 HG23 ILE 59 5.051 -6.588 -0.695 453 1HD1 ILE 59 HD11 ILE 59 2.800 -6.828 -4.077 454 2HD1 ILE 59 HD12 ILE 59 2.548 -5.112 -3.755 455 3HD1 ILE 59 HD13 ILE 59 2.597 -6.263 -2.418 456 H ALA 60 HN ALA 60 8.018 -7.325 -0.653 457 HA ALA 60 HA ALA 60 8.356 -10.170 -1.225 458 1HB ALA 60 HB1 ALA 60 10.700 -8.375 -0.610 459 2HB ALA 60 HB2 ALA 60 10.335 -9.082 -2.185 460 3HB ALA 60 HB3 ALA 60 10.746 -10.126 -0.824 461 H GLU 61 HN GLU 61 8.484 -11.444 0.564 462 HA GLU 61 HA GLU 61 8.036 -10.176 3.145 463 1HB GLU 61 HB2 GLU 61 6.779 -12.248 2.173 464 2HB GLU 61 HB1 GLU 61 8.208 -13.143 2.664 465 1HG GLU 61 HG2 GLU 61 6.557 -11.460 4.531 466 2HG GLU 61 HG1 GLU 61 6.319 -13.187 4.284 467 H HIS 62 HN HIS 62 9.834 -9.504 4.126 468 HA HIS 62 HA HIS 62 12.394 -10.630 3.432 469 1HB HIS 62 HB2 HIS 62 12.110 -8.202 3.729 470 2HB HIS 62 HB1 HIS 62 11.697 -8.459 5.420 471 HD1 HIS 62 HD1 HIS 62 14.602 -8.423 3.054 472 HD2 HIS 62 HD2 HIS 62 13.868 -8.959 7.119 473 HE1 HIS 62 HE1 HIS 62 16.853 -8.309 4.179 474 HE2 HIS 62 HE2 HIS 62 16.395 -8.671 6.636 475 H GLN 63 HN GLN 63 10.580 -10.250 6.469 476 HA GLN 63 HA GLN 63 11.434 -12.727 7.519 477 1HB GLN 63 HB2 GLN 63 13.580 -11.535 7.704 478 2HB GLN 63 HB1 GLN 63 12.798 -10.272 8.643 479 1HG GLN 63 HG2 GLN 63 12.362 -11.820 10.441 480 2HG GLN 63 HG1 GLN 63 13.012 -13.154 9.487 481 1HE2 GLN 63 HE21 GLN 63 13.829 -12.027 12.090 482 2HE2 GLN 63 HE22 GLN 63 15.510 -11.638 11.912 483 H GLY 64 HN GLY 64 9.177 -12.755 7.785 484 1HA GLY 64 HA2 GLY 64 7.444 -12.870 9.320 485 2HA GLY 64 HA1 GLY 64 8.368 -11.846 10.407 486 H GLU 65 HN GLU 65 8.470 -10.241 7.588 487 HA GLU 65 HA GLU 65 5.950 -8.816 8.003 488 1HB GLU 65 HB2 GLU 65 8.679 -7.518 8.136 489 2HB GLU 65 HB1 GLU 65 7.165 -6.637 8.014 490 1HG GLU 65 HG2 GLU 65 7.970 -8.440 10.287 491 2HG GLU 65 HG1 GLU 65 8.017 -6.678 10.296 492 H LEU 66 HN LEU 66 5.219 -7.706 6.232 493 HA LEU 66 HA LEU 66 6.402 -8.493 3.699 494 1HB LEU 66 HB2 LEU 66 3.848 -7.002 4.310 495 2HB LEU 66 HB1 LEU 66 4.336 -7.576 2.728 496 HG LEU 66 HG LEU 66 3.832 -9.391 5.083 497 1HD1 LEU 66 HD11 LEU 66 2.024 -8.686 2.781 498 2HD1 LEU 66 HD12 LEU 66 1.786 -8.233 4.468 499 3HD1 LEU 66 HD13 LEU 66 1.715 -9.929 3.992 500 1HD2 LEU 66 HD21 LEU 66 3.784 -11.145 3.397 501 2HD2 LEU 66 HD22 LEU 66 5.329 -10.294 3.362 502 3HD2 LEU 66 HD23 LEU 66 4.109 -9.959 2.134 503 H TRP 67 HN TRP 67 7.766 -7.220 2.633 504 HA TRP 67 HA TRP 67 7.646 -4.316 3.133 505 1HB TRP 67 HB2 TRP 67 10.040 -6.042 2.468 506 2HB TRP 67 HB1 TRP 67 10.073 -4.286 2.525 507 HD1 TRP 67 HD1 TRP 67 9.771 -7.344 4.826 508 HE1 TRP 67 HE1 TRP 67 10.396 -6.632 7.223 509 HE3 TRP 67 HE3 TRP 67 10.170 -2.303 4.079 510 HZ2 TRP 67 HZ2 TRP 67 10.980 -4.235 8.604 511 HZ3 TRP 67 HZ3 TRP 67 10.768 -0.873 5.989 512 HH2 TRP 67 HH2 TRP 67 11.161 -1.818 8.206 513 H VAL 68 HN VAL 68 7.390 -3.008 1.413 514 HA VAL 68 HA VAL 68 7.765 -4.172 -1.268 515 HB VAL 68 HB VAL 68 5.486 -3.285 -0.833 516 1HG1 VAL 68 HG11 VAL 68 5.126 -0.870 -0.667 517 2HG1 VAL 68 HG12 VAL 68 6.869 -0.622 -0.566 518 3HG1 VAL 68 HG13 VAL 68 6.026 -1.495 0.714 519 1HG2 VAL 68 HG21 VAL 68 7.069 -1.749 -2.887 520 2HG2 VAL 68 HG22 VAL 68 5.312 -1.907 -2.860 521 3HG2 VAL 68 HG23 VAL 68 6.323 -3.332 -3.106 522 H ALA 69 HN ALA 69 9.175 -3.172 -2.696 523 HA ALA 69 HA ALA 69 10.678 -0.879 -1.625 524 1HB ALA 69 HB1 ALA 69 11.930 -3.315 -2.884 525 2HB ALA 69 HB2 ALA 69 11.915 -2.951 -1.160 526 3HB ALA 69 HB3 ALA 69 12.778 -1.893 -2.277 527 H SER 70 HN SER 70 10.456 0.731 -2.987 528 HA SER 70 HA SER 70 10.033 0.380 -5.805 529 1HB SER 70 HB2 SER 70 10.760 2.917 -4.316 530 2HB SER 70 HB1 SER 70 9.990 2.796 -5.899 531 HG SER 70 HG SER 70 8.236 2.961 -4.735 532 HA PRO 71 HA PRO 71 14.325 -0.387 -6.575 533 1HB PRO 71 HB2 PRO 71 13.630 0.092 -9.404 534 2HB PRO 71 HB1 PRO 71 14.278 -1.358 -8.631 535 1HG PRO 71 HG2 PRO 71 11.744 -1.257 -9.464 536 2HG PRO 71 HG1 PRO 71 12.190 -2.098 -7.966 537 1HD PRO 71 HD2 PRO 71 10.976 0.622 -8.320 538 2HD PRO 71 HD1 PRO 71 10.565 -0.649 -7.147 539 H LEU 72 HN LEU 72 12.794 2.574 -7.252 540 HA LEU 72 HA LEU 72 14.640 4.014 -8.727 541 1HB LEU 72 HB2 LEU 72 12.950 4.945 -6.400 542 2HB LEU 72 HB1 LEU 72 13.836 6.023 -7.456 543 HG LEU 72 HG LEU 72 11.589 6.091 -8.171 544 1HD1 LEU 72 HD11 LEU 72 11.667 5.232 -10.438 545 2HD1 LEU 72 HD12 LEU 72 13.045 4.215 -10.019 546 3HD1 LEU 72 HD13 LEU 72 13.203 5.970 -9.987 547 1HD2 LEU 72 HD21 LEU 72 11.599 3.077 -8.210 548 2HD2 LEU 72 HD22 LEU 72 10.277 4.108 -8.752 549 3HD2 LEU 72 HD23 LEU 72 10.752 4.106 -7.055 550 H LYS 73 HN LYS 73 14.409 4.358 -5.199 551 HA LYS 73 HA LYS 73 17.356 4.327 -5.075 552 1HB LYS 73 HB2 LYS 73 15.356 5.889 -3.438 553 2HB LYS 73 HB1 LYS 73 17.039 5.702 -2.962 554 1HG LYS 73 HG2 LYS 73 16.192 6.868 -5.598 555 2HG LYS 73 HG1 LYS 73 16.471 7.835 -4.147 556 1HD LYS 73 HD2 LYS 73 18.770 7.037 -4.045 557 2HD LYS 73 HD1 LYS 73 18.495 6.023 -5.463 558 1HE LYS 73 HE2 LYS 73 18.148 7.952 -6.847 559 2HE LYS 73 HE1 LYS 73 18.197 9.022 -5.447 560 1HZ LYS 73 HZ1 LYS 73 20.482 7.336 -6.311 561 2HZ LYS 73 HZ2 LYS 73 20.493 8.564 -5.140 562 3HZ LYS 73 HZ3 LYS 73 20.275 8.957 -6.775 563 H LYS 74 HN LYS 74 14.968 2.378 -4.702 564 HA LYS 74 HA LYS 74 14.373 0.611 -3.456 565 1HB LYS 74 HB2 LYS 74 16.730 -0.029 -3.816 566 2HB LYS 74 HB1 LYS 74 17.174 0.800 -2.329 567 1HG LYS 74 HG2 LYS 74 15.860 -0.738 -1.022 568 2HG LYS 74 HG1 LYS 74 15.248 -1.512 -2.483 569 1HD LYS 74 HD2 LYS 74 18.191 -1.399 -1.912 570 2HD LYS 74 HD1 LYS 74 17.174 -2.642 -1.187 571 1HE LYS 74 HE2 LYS 74 18.111 -3.572 -3.164 572 2HE LYS 74 HE1 LYS 74 16.416 -3.243 -3.503 573 1HZ LYS 74 HZ1 LYS 74 17.056 -1.255 -4.693 574 2HZ LYS 74 HZ2 LYS 74 17.880 -2.588 -5.330 575 3HZ LYS 74 HZ3 LYS 74 18.688 -1.501 -4.309 576 H GLN 75 HN GLN 75 13.033 2.413 -2.506 577 HA GLN 75 HA GLN 75 13.577 2.891 0.313 578 1HB GLN 75 HB2 GLN 75 11.161 3.658 -1.339 579 2HB GLN 75 HB1 GLN 75 11.524 4.219 0.286 580 1HG GLN 75 HG2 GLN 75 13.142 4.798 -2.186 581 2HG GLN 75 HG1 GLN 75 12.030 5.909 -1.393 582 1HE2 GLN 75 HE21 GLN 75 12.810 5.145 1.289 583 2HE2 GLN 75 HE22 GLN 75 14.383 5.817 1.558 584 H ARG 76 HN ARG 76 12.881 1.545 1.855 585 HA ARG 76 HA ARG 76 11.186 -0.684 1.023 586 1HB ARG 76 HB2 ARG 76 12.638 -0.453 3.655 587 2HB ARG 76 HB1 ARG 76 12.028 -1.905 2.883 588 1HG ARG 76 HG2 ARG 76 14.296 -2.092 2.539 589 2HG ARG 76 HG1 ARG 76 13.770 -1.336 1.033 590 1HD ARG 76 HD2 ARG 76 14.480 0.819 1.789 591 2HD ARG 76 HD1 ARG 76 14.795 0.206 3.410 592 HE ARG 76 HE ARG 76 16.404 -1.257 1.692 593 1HH1 ARG 76 HH11 ARG 76 16.024 2.087 2.659 594 2HH1 ARG 76 HH12 ARG 76 17.688 2.496 2.412 595 1HH2 ARG 76 HH21 ARG 76 18.616 -0.728 1.383 596 2HH2 ARG 76 HH22 ARG 76 19.161 0.890 1.695 597 H PHE 77 HN PHE 77 9.098 -0.691 1.542 598 HA PHE 77 HA PHE 77 8.255 0.795 3.950 599 1HB PHE 77 HB2 PHE 77 6.767 0.358 1.355 600 2HB PHE 77 HB1 PHE 77 6.027 1.014 2.809 601 HD1 PHE 77 HD1 PHE 77 8.500 1.645 0.156 602 HD2 PHE 77 HD2 PHE 77 6.367 3.275 3.458 603 HE1 PHE 77 HE1 PHE 77 9.206 3.906 -0.510 604 HE2 PHE 77 HE2 PHE 77 7.069 5.539 2.798 605 HZ PHE 77 HZ PHE 77 8.490 5.856 0.811 606 H ARG 78 HN ARG 78 7.585 -0.473 5.529 607 HA ARG 78 HA ARG 78 6.885 -3.226 5.102 608 1HB ARG 78 HB2 ARG 78 8.007 -2.378 7.175 609 2HB ARG 78 HB1 ARG 78 6.518 -1.542 7.592 610 1HG ARG 78 HG2 ARG 78 5.343 -3.660 7.761 611 2HG ARG 78 HG1 ARG 78 6.798 -4.523 7.260 612 1HD ARG 78 HD2 ARG 78 6.603 -4.683 9.646 613 2HD ARG 78 HD1 ARG 78 7.958 -3.624 9.263 614 HE ARG 78 HE ARG 78 5.687 -2.033 9.633 615 1HH1 ARG 78 HH11 ARG 78 7.821 -4.089 11.480 616 2HH1 ARG 78 HH12 ARG 78 7.546 -3.257 12.982 617 1HH2 ARG 78 HH21 ARG 78 5.309 -0.918 11.625 618 2HH2 ARG 78 HH22 ARG 78 6.098 -1.485 13.069 619 H LEU 79 HN LEU 79 5.030 -3.730 4.160 620 HA LEU 79 HA LEU 79 2.889 -1.990 3.736 621 1HB LEU 79 HB2 LEU 79 2.917 -5.007 3.679 622 2HB LEU 79 HB1 LEU 79 1.649 -4.002 3.006 623 HG LEU 79 HG LEU 79 4.518 -4.041 2.069 624 1HD1 LEU 79 HD11 LEU 79 2.016 -5.175 0.822 625 2HD1 LEU 79 HD12 LEU 79 3.343 -6.103 1.522 626 3HD1 LEU 79 HD13 LEU 79 3.614 -5.130 0.076 627 1HD2 LEU 79 HD21 LEU 79 2.089 -2.622 0.986 628 2HD2 LEU 79 HD22 LEU 79 3.676 -2.675 0.219 629 3HD2 LEU 79 HD23 LEU 79 3.473 -1.865 1.774 630 H SER 80 HN SER 80 3.513 -4.210 6.319 631 HA SER 80 HA SER 80 1.104 -4.817 7.390 632 1HB SER 80 HB2 SER 80 3.345 -3.904 9.169 633 2HB SER 80 HB1 SER 80 2.261 -5.284 9.367 634 HG SER 80 HG SER 80 4.275 -6.029 8.696 635 H ASP 81 HN ASP 81 2.920 -1.801 8.042 636 HA ASP 81 HA ASP 81 0.407 -0.536 8.814 637 1HB ASP 81 HB2 ASP 81 1.467 -1.540 10.867 638 2HB ASP 81 HB1 ASP 81 2.813 -0.429 10.636 639 H GLY 82 HN GLY 82 2.614 -0.348 6.704 640 1HA GLY 82 HA2 GLY 82 3.341 1.371 5.359 641 2HA GLY 82 HA1 GLY 82 2.394 2.467 6.354 642 H LEU 83 HN LEU 83 5.083 0.367 7.282 643 HA LEU 83 HA LEU 83 6.380 2.689 8.484 644 1HB LEU 83 HB2 LEU 83 6.104 0.665 9.857 645 2HB LEU 83 HB1 LEU 83 7.044 -0.249 8.693 646 HG LEU 83 HG LEU 83 8.872 1.579 9.220 647 1HD1 LEU 83 HD11 LEU 83 7.496 2.949 10.649 648 2HD1 LEU 83 HD12 LEU 83 8.807 2.232 11.585 649 3HD1 LEU 83 HD13 LEU 83 7.177 1.575 11.704 650 1HD2 LEU 83 HD21 LEU 83 8.222 -0.720 11.052 651 2HD2 LEU 83 HD22 LEU 83 9.778 0.103 10.948 652 3HD2 LEU 83 HD23 LEU 83 9.163 -0.798 9.564 653 H CYS 84 HN CYS 84 7.521 3.773 6.935 654 HA CYS 84 HA CYS 84 9.125 2.463 4.976 655 1HB CYS 84 HB2 CYS 84 8.374 4.804 4.703 656 2HB CYS 84 HB1 CYS 84 9.366 5.274 6.081 657 HG CYS 84 HG CYS 84 10.684 6.145 3.793 658 H MET 85 HN MET 85 11.168 1.713 5.142 659 HA MET 85 HA MET 85 12.251 1.223 7.699 660 1HB MET 85 HB2 MET 85 12.607 -0.168 5.641 661 2HB MET 85 HB1 MET 85 13.702 1.075 5.054 662 1HG MET 85 HG2 MET 85 15.190 0.698 6.912 663 2HG MET 85 HG1 MET 85 14.066 -0.468 7.609 664 1HE MET 85 HE1 MET 85 15.915 -2.306 7.811 665 2HE MET 85 HE2 MET 85 17.103 -1.164 7.183 666 3HE MET 85 HE3 MET 85 16.984 -2.784 6.493 667 H GLU 86 HN GLU 86 12.852 3.715 5.320 668 HA GLU 86 HA GLU 86 15.202 4.682 6.728 669 1HB GLU 86 HB2 GLU 86 15.071 4.595 4.234 670 2HB GLU 86 HB1 GLU 86 13.806 5.813 4.299 671 1HG GLU 86 HG2 GLU 86 15.357 7.400 5.282 672 2HG GLU 86 HG1 GLU 86 16.627 6.176 5.282 673 H ASP 87 HN ASP 87 11.988 5.852 5.824 674 HA ASP 87 HA ASP 87 12.275 8.262 7.392 675 1HB ASP 87 HB2 ASP 87 9.848 7.235 5.906 676 2HB ASP 87 HB1 ASP 87 10.087 8.868 6.521 677 H GLU 88 HN GLU 88 11.993 5.348 8.322 678 HA GLU 88 HA GLU 88 9.882 4.570 9.725 679 1HB GLU 88 HB2 GLU 88 12.008 3.399 9.684 680 2HB GLU 88 HB1 GLU 88 12.734 4.626 10.708 681 1HG GLU 88 HG2 GLU 88 11.163 3.984 12.508 682 2HG GLU 88 HG1 GLU 88 10.577 2.679 11.476 683 H GLN 89 HN GLN 89 11.936 7.255 10.704 684 HA GLN 89 HA GLN 89 11.342 7.607 13.336 685 1HB GLN 89 HB2 GLN 89 12.867 9.025 11.946 686 2HB GLN 89 HB1 GLN 89 11.450 9.856 11.322 687 1HG GLN 89 HG2 GLN 89 12.252 11.243 13.010 688 2HG GLN 89 HG1 GLN 89 10.893 10.397 13.745 689 1HE2 GLN 89 HE21 GLN 89 12.515 7.907 13.998 690 2HE2 GLN 89 HE22 GLN 89 13.577 8.188 15.338 691 H PHE 90 HN PHE 90 9.303 8.618 10.597 692 HA PHE 90 HA PHE 90 7.116 8.954 12.536 693 1HB PHE 90 HB2 PHE 90 8.035 11.154 11.675 694 2HB PHE 90 HB1 PHE 90 7.434 10.690 10.086 695 HD1 PHE 90 HD1 PHE 90 6.364 11.264 13.589 696 HD2 PHE 90 HD2 PHE 90 5.220 11.129 9.492 697 HE1 PHE 90 HE1 PHE 90 4.156 12.172 14.181 698 HE2 PHE 90 HE2 PHE 90 3.009 12.036 10.078 699 HZ PHE 90 HZ PHE 90 2.475 12.557 12.425 700 H SER 91 HN SER 91 8.203 7.797 9.465 701 HA SER 91 HA SER 91 7.324 6.323 7.984 702 1HB SER 91 HB2 SER 91 5.029 6.018 9.936 703 2HB SER 91 HB1 SER 91 5.465 4.905 8.640 704 HG SER 91 HG SER 91 7.248 5.593 10.729 705 H VAL 92 HN VAL 92 4.785 5.832 7.063 706 HA VAL 92 HA VAL 92 3.907 8.501 6.172 707 HB VAL 92 HB VAL 92 3.126 7.417 4.081 708 1HG1 VAL 92 HG11 VAL 92 6.054 7.006 4.679 709 2HG1 VAL 92 HG12 VAL 92 5.305 8.510 4.143 710 3HG1 VAL 92 HG13 VAL 92 5.335 7.108 3.073 711 1HG2 VAL 92 HG21 VAL 92 4.559 4.982 5.148 712 2HG2 VAL 92 HG22 VAL 92 3.896 5.156 3.523 713 3HG2 VAL 92 HG23 VAL 92 2.818 5.144 4.920 714 H LYS 93 HN LYS 93 1.544 7.825 4.936 715 HA LYS 93 HA LYS 93 -0.152 7.380 7.223 716 1HB LYS 93 HB2 LYS 93 -0.832 7.848 4.319 717 2HB LYS 93 HB1 LYS 93 -2.005 7.759 5.620 718 1HG LYS 93 HG2 LYS 93 -1.017 9.742 6.651 719 2HG LYS 93 HG1 LYS 93 0.163 9.830 5.336 720 1HD LYS 93 HD2 LYS 93 -1.625 10.109 3.718 721 2HD LYS 93 HD1 LYS 93 -2.830 9.946 4.994 722 1HE LYS 93 HE2 LYS 93 -1.956 11.984 6.053 723 2HE LYS 93 HE1 LYS 93 -0.795 12.156 4.733 724 1HZ LYS 93 HZ1 LYS 93 -3.742 12.097 4.376 725 2HZ LYS 93 HZ2 LYS 93 -2.583 12.413 3.177 726 3HZ LYS 93 HZ3 LYS 93 -2.821 13.517 4.445 727 H HIS 94 HN HIS 94 -1.105 5.538 7.795 728 HA HIS 94 HA HIS 94 -1.043 3.276 5.917 729 1HB HIS 94 HB2 HIS 94 -0.014 2.872 8.111 730 2HB HIS 94 HB1 HIS 94 -1.514 3.329 8.909 731 HD1 HIS 94 HD1 HIS 94 -3.023 1.445 9.480 732 HD2 HIS 94 HD2 HIS 94 -0.386 0.459 6.420 733 HE1 HIS 94 HE1 HIS 94 -3.359 -1.013 9.062 734 HE2 HIS 94 HE2 HIS 94 -1.569 -1.621 7.396 735 H TYR 95 HN TYR 95 -2.863 2.983 4.787 736 HA TYR 95 HA TYR 95 -5.379 3.964 5.909 737 1HB TYR 95 HB2 TYR 95 -4.604 3.150 3.108 738 2HB TYR 95 HB1 TYR 95 -6.259 3.543 3.579 739 HD1 TYR 95 HD1 TYR 95 -6.820 5.818 4.315 740 HD2 TYR 95 HD2 TYR 95 -2.981 4.876 2.753 741 HE1 TYR 95 HE1 TYR 95 -6.392 8.208 3.965 742 HE2 TYR 95 HE2 TYR 95 -2.533 7.272 2.390 743 HH TYR 95 HH TYR 95 -3.585 9.360 2.228 744 H GLU 96 HN GLU 96 -7.198 2.687 6.081 745 HA GLU 96 HA GLU 96 -6.593 -0.094 6.648 746 1HB GLU 96 HB2 GLU 96 -9.028 1.622 7.139 747 2HB GLU 96 HB1 GLU 96 -8.915 -0.074 7.604 748 1HG GLU 96 HG2 GLU 96 -7.206 0.365 9.163 749 2HG GLU 96 HG1 GLU 96 -6.933 1.985 8.525 750 H ALA 97 HN ALA 97 -6.810 -1.567 5.135 751 HA ALA 97 HA ALA 97 -8.839 -1.178 3.042 752 1HB ALA 97 HB1 ALA 97 -6.262 -2.742 2.901 753 2HB ALA 97 HB2 ALA 97 -6.552 -1.157 2.185 754 3HB ALA 97 HB3 ALA 97 -7.436 -2.565 1.598 755 H ARG 98 HN ARG 98 -10.149 -2.917 2.458 756 HA ARG 98 HA ARG 98 -9.859 -5.444 3.858 757 1HB ARG 98 HB2 ARG 98 -12.022 -5.446 4.875 758 2HB ARG 98 HB1 ARG 98 -11.203 -3.976 5.383 759 1HG ARG 98 HG2 ARG 98 -12.481 -2.675 3.792 760 2HG ARG 98 HG1 ARG 98 -13.250 -4.140 3.177 761 1HD ARG 98 HD2 ARG 98 -14.243 -4.536 5.380 762 2HD ARG 98 HD1 ARG 98 -13.477 -3.068 5.986 763 HE ARG 98 HE ARG 98 -15.044 -2.454 3.724 764 1HH1 ARG 98 HH11 ARG 98 -15.383 -3.414 7.067 765 2HH1 ARG 98 HH12 ARG 98 -16.923 -2.624 7.265 766 1HH2 ARG 98 HH21 ARG 98 -17.053 -1.415 3.976 767 2HH2 ARG 98 HH22 ARG 98 -17.864 -1.472 5.514 768 H VAL 99 HN VAL 99 -11.617 -6.992 3.163 769 HA VAL 99 HA VAL 99 -12.281 -6.510 0.340 770 HB VAL 99 HB VAL 99 -11.926 -9.169 1.739 771 1HG1 VAL 99 HG11 VAL 99 -12.381 -8.526 -1.173 772 2HG1 VAL 99 HG12 VAL 99 -13.527 -9.307 -0.082 773 3HG1 VAL 99 HG13 VAL 99 -12.027 -10.124 -0.518 774 1HG2 VAL 99 HG21 VAL 99 -9.803 -8.010 1.498 775 2HG2 VAL 99 HG22 VAL 99 -10.124 -7.747 -0.216 776 3HG2 VAL 99 HG23 VAL 99 -9.889 -9.385 0.395 777 H LYS 100 HN LYS 100 -14.237 -5.599 0.540 778 HA LYS 100 HA LYS 100 -16.287 -6.662 2.286 779 1HB LYS 100 HB2 LYS 100 -16.289 -4.323 2.142 780 2HB LYS 100 HB1 LYS 100 -16.042 -4.337 0.404 781 1HG LYS 100 HG2 LYS 100 -18.389 -5.328 0.247 782 2HG LYS 100 HG1 LYS 100 -18.570 -4.835 1.936 783 1HD LYS 100 HD2 LYS 100 -18.198 -2.558 1.405 784 2HD LYS 100 HD1 LYS 100 -17.646 -2.956 -0.219 785 1HE LYS 100 HE2 LYS 100 -19.932 -3.760 -0.738 786 2HE LYS 100 HE1 LYS 100 -20.449 -3.199 0.854 787 1HZ LYS 100 HZ1 LYS 100 -19.846 -0.961 0.255 788 2HZ LYS 100 HZ2 LYS 100 -20.899 -1.581 -0.925 789 3HZ LYS 100 HZ3 LYS 100 -19.230 -1.471 -1.243 790 H ASP 101 HN ASP 101 -16.901 -8.645 1.567 791 HA ASP 101 HA ASP 101 -17.943 -10.235 0.322 792 1HB ASP 101 HB2 ASP 101 -19.725 -8.472 0.431 793 2HB ASP 101 HB1 ASP 101 -19.184 -7.899 -1.141 794 H GLY 102 HN GLY 102 -15.407 -8.847 -0.702 795 1HA GLY 102 HA2 GLY 102 -14.106 -9.914 -2.462 796 2HA GLY 102 HA1 GLY 102 -15.566 -9.932 -3.438 797 H VAL 103 HN VAL 103 -15.533 -7.042 -1.867 798 HA VAL 103 HA VAL 103 -14.215 -5.690 -4.130 799 HB VAL 103 HB VAL 103 -16.306 -4.612 -2.226 800 1HG1 VAL 103 HG11 VAL 103 -16.435 -2.700 -3.734 801 2HG1 VAL 103 HG12 VAL 103 -15.134 -3.377 -4.714 802 3HG1 VAL 103 HG13 VAL 103 -14.816 -2.866 -3.056 803 1HG2 VAL 103 HG21 VAL 103 -16.548 -5.492 -5.099 804 2HG2 VAL 103 HG22 VAL 103 -17.811 -4.683 -4.172 805 3HG2 VAL 103 HG23 VAL 103 -17.257 -6.286 -3.692 806 H VAL 104 HN VAL 104 -12.427 -4.507 -3.751 807 HA VAL 104 HA VAL 104 -11.322 -4.400 -1.092 808 HB VAL 104 HB VAL 104 -10.284 -3.000 -3.566 809 1HG1 VAL 104 HG11 VAL 104 -9.286 -2.221 -1.500 810 2HG1 VAL 104 HG12 VAL 104 -8.113 -3.163 -2.424 811 3HG1 VAL 104 HG13 VAL 104 -8.915 -3.878 -1.024 812 1HG2 VAL 104 HG21 VAL 104 -9.687 -5.796 -2.597 813 2HG2 VAL 104 HG22 VAL 104 -8.848 -4.969 -3.910 814 3HG2 VAL 104 HG23 VAL 104 -10.560 -5.365 -4.066 815 H GLN 105 HN GLN 105 -11.761 -2.846 0.356 816 HA GLN 105 HA GLN 105 -12.523 -0.193 -0.703 817 1HB GLN 105 HB2 GLN 105 -13.242 -1.287 2.009 818 2HB GLN 105 HB1 GLN 105 -13.800 0.213 1.288 819 1HG GLN 105 HG2 GLN 105 -14.816 -1.276 -0.529 820 2HG GLN 105 HG1 GLN 105 -14.573 -2.590 0.627 821 1HE2 GLN 105 HE21 GLN 105 -16.407 0.193 -0.177 822 2HE2 GLN 105 HE22 GLN 105 -17.558 0.068 1.106 823 H LEU 106 HN LEU 106 -11.759 1.641 0.370 824 HA LEU 106 HA LEU 106 -9.523 1.188 2.234 825 1HB LEU 106 HB2 LEU 106 -9.794 3.446 0.244 826 2HB LEU 106 HB1 LEU 106 -8.465 3.203 1.358 827 HG LEU 106 HG LEU 106 -9.162 1.460 -1.003 828 1HD1 LEU 106 HD11 LEU 106 -6.986 2.251 -1.843 829 2HD1 LEU 106 HD12 LEU 106 -6.860 3.328 -0.453 830 3HD1 LEU 106 HD13 LEU 106 -8.147 3.561 -1.635 831 1HD2 LEU 106 HD21 LEU 106 -6.921 1.203 1.001 832 2HD2 LEU 106 HD22 LEU 106 -7.112 0.237 -0.462 833 3HD2 LEU 106 HD23 LEU 106 -8.297 0.112 0.839 834 H ARG 107 HN ARG 107 -9.860 2.070 4.197 835 HA ARG 107 HA ARG 107 -11.642 4.406 4.353 836 1HB ARG 107 HB2 ARG 107 -12.442 2.606 5.787 837 2HB ARG 107 HB1 ARG 107 -10.856 2.471 6.547 838 1HG ARG 107 HG2 ARG 107 -11.098 4.712 7.458 839 2HG ARG 107 HG1 ARG 107 -12.666 4.874 6.672 840 1HD ARG 107 HD2 ARG 107 -13.355 4.246 8.749 841 2HD ARG 107 HD1 ARG 107 -13.165 2.655 8.016 842 HE ARG 107 HE ARG 107 -10.814 2.823 9.093 843 1HH1 ARG 107 HH11 ARG 107 -13.756 4.160 10.461 844 2HH1 ARG 107 HH12 ARG 107 -13.241 3.932 12.101 845 1HH2 ARG 107 HH21 ARG 107 -10.148 2.515 11.242 846 2HH2 ARG 107 HH22 ARG 107 -11.201 2.983 12.546 847 H GLY 108 HN GLY 108 -10.579 6.224 4.378 848 1HA GLY 108 HA2 GLY 108 -8.136 6.390 6.020 849 2HA GLY 108 HA1 GLY 108 -8.351 7.302 4.530 850 H GLY 109 HN GLY 109 -9.325 6.959 7.860 851 1HA GLY 109 HA2 GLY 109 -11.201 9.105 7.865 852 2HA GLY 109 HA1 GLY 109 -10.474 8.358 9.280 853 H SER 110 HN SER 110 -10.097 10.811 6.826 854 HA SER 110 HA SER 110 -8.405 12.313 8.688 855 1HB SER 110 HB2 SER 110 -7.928 12.134 5.698 856 2HB SER 110 HB1 SER 110 -6.965 13.047 6.862 857 HG SER 110 HG SER 110 -7.003 10.638 7.809 Start of MODEL 6 1 HA MET 1 HA MET 1 -16.572 9.744 9.918 2 1HB MET 1 HB2 MET 1 -13.824 10.913 10.415 3 2HB MET 1 HB1 MET 1 -14.627 10.836 8.856 4 1HG MET 1 HG2 MET 1 -14.890 13.039 9.639 5 2HG MET 1 HG1 MET 1 -16.453 12.250 9.838 6 1HE MET 1 HE1 MET 1 -13.514 13.117 13.294 7 2HE MET 1 HE2 MET 1 -13.232 13.583 11.616 8 3HE MET 1 HE3 MET 1 -13.213 11.880 12.073 9 H SER 2 HN SER 2 -15.572 8.564 8.158 10 HA SER 2 HA SER 2 -13.449 6.708 8.768 11 1HB SER 2 HB2 SER 2 -15.360 5.558 9.801 12 2HB SER 2 HB1 SER 2 -16.265 5.689 8.296 13 HG SER 2 HG SER 2 -15.204 4.053 7.514 14 H GLN 3 HN GLN 3 -16.257 6.787 6.602 15 HA GLN 3 HA GLN 3 -16.478 6.622 4.363 16 1HB GLN 3 HB2 GLN 3 -15.443 8.887 4.510 17 2HB GLN 3 HB1 GLN 3 -13.870 8.145 4.250 18 1HG GLN 3 HG2 GLN 3 -14.672 7.297 2.074 19 2HG GLN 3 HG1 GLN 3 -16.192 8.148 2.335 20 1HE2 GLN 3 HE21 GLN 3 -13.058 9.393 3.271 21 2HE2 GLN 3 HE22 GLN 3 -13.020 10.690 2.124 22 H TRP 4 HN TRP 4 -16.044 4.276 4.755 23 HA TRP 4 HA TRP 4 -13.594 3.177 3.773 24 1HB TRP 4 HB2 TRP 4 -16.362 1.998 4.079 25 2HB TRP 4 HB1 TRP 4 -14.997 1.078 3.457 26 HD1 TRP 4 HD1 TRP 4 -16.476 2.430 6.676 27 HE1 TRP 4 HE1 TRP 4 -15.171 1.460 8.672 28 HE3 TRP 4 HE3 TRP 4 -12.616 0.245 4.135 29 HZ2 TRP 4 HZ2 TRP 4 -12.816 -0.030 9.107 30 HZ3 TRP 4 HZ3 TRP 4 -10.883 -0.936 5.415 31 HH2 TRP 4 HH2 TRP 4 -10.981 -1.073 7.850 32 H LYS 5 HN LYS 5 -13.139 4.256 1.858 33 HA LYS 5 HA LYS 5 -15.101 4.544 -0.196 34 1HB LYS 5 HB2 LYS 5 -13.099 6.064 0.252 35 2HB LYS 5 HB1 LYS 5 -12.122 4.837 -0.544 36 1HG LYS 5 HG2 LYS 5 -12.761 6.662 -2.058 37 2HG LYS 5 HG1 LYS 5 -13.391 5.098 -2.588 38 1HD LYS 5 HD2 LYS 5 -15.557 5.642 -1.572 39 2HD LYS 5 HD1 LYS 5 -14.925 7.210 -1.073 40 1HE LYS 5 HE2 LYS 5 -14.615 7.853 -3.384 41 2HE LYS 5 HE1 LYS 5 -15.137 6.257 -3.924 42 1HZ LYS 5 HZ1 LYS 5 -16.826 8.166 -2.397 43 2HZ LYS 5 HZ2 LYS 5 -17.316 6.669 -3.033 44 3HZ LYS 5 HZ3 LYS 5 -16.895 7.935 -4.076 45 H ASP 6 HN ASP 6 -15.808 2.909 -1.354 46 HA ASP 6 HA ASP 6 -14.309 0.503 -1.738 47 1HB ASP 6 HB2 ASP 6 -16.232 -0.114 -3.247 48 2HB ASP 6 HB1 ASP 6 -16.688 0.297 -1.598 49 H ILE 7 HN ILE 7 -12.724 0.265 -3.122 50 HA ILE 7 HA ILE 7 -12.382 2.226 -5.255 51 HB ILE 7 HB ILE 7 -10.498 -0.005 -4.490 52 1HG1 ILE 7 HG12 ILE 7 -10.904 1.385 -2.522 53 2HG1 ILE 7 HG11 ILE 7 -9.281 1.664 -3.146 54 1HG2 ILE 7 HG21 ILE 7 -10.064 2.584 -5.972 55 2HG2 ILE 7 HG22 ILE 7 -10.090 0.968 -6.677 56 3HG2 ILE 7 HG23 ILE 7 -8.807 1.420 -5.553 57 1HD1 ILE 7 HD11 ILE 7 -10.342 3.732 -2.459 58 2HD1 ILE 7 HD12 ILE 7 -11.670 3.436 -3.581 59 3HD1 ILE 7 HD13 ILE 7 -10.043 3.724 -4.197 60 H CYS 8 HN CYS 8 -11.456 -1.160 -5.256 61 HA CYS 8 HA CYS 8 -13.113 -1.675 -7.603 62 1HB CYS 8 HB2 CYS 8 -10.129 -2.187 -7.467 63 2HB CYS 8 HB1 CYS 8 -11.191 -2.738 -8.758 64 HG CYS 8 HG CYS 8 -11.093 -0.614 -10.181 65 H LYS 9 HN LYS 9 -12.998 -4.091 -8.133 66 HA LYS 9 HA LYS 9 -13.274 -5.567 -5.675 67 1HB LYS 9 HB2 LYS 9 -13.459 -6.448 -8.559 68 2HB LYS 9 HB1 LYS 9 -13.797 -7.485 -7.180 69 1HG LYS 9 HG2 LYS 9 -15.590 -5.931 -6.495 70 2HG LYS 9 HG1 LYS 9 -15.286 -4.987 -7.952 71 1HD LYS 9 HD2 LYS 9 -17.167 -6.474 -8.292 72 2HD LYS 9 HD1 LYS 9 -15.817 -6.958 -9.319 73 1HE LYS 9 HE2 LYS 9 -15.237 -8.731 -7.773 74 2HE LYS 9 HE1 LYS 9 -16.504 -8.210 -6.663 75 1HZ LYS 9 HZ1 LYS 9 -18.148 -8.734 -8.362 76 2HZ LYS 9 HZ2 LYS 9 -17.228 -10.097 -7.966 77 3HZ LYS 9 HZ3 LYS 9 -16.926 -9.264 -9.410 78 H ILE 10 HN ILE 10 -12.004 -7.250 -4.958 79 HA ILE 10 HA ILE 10 -9.216 -6.985 -5.452 80 HB ILE 10 HB ILE 10 -10.267 -7.690 -3.275 81 1HG1 ILE 10 HG12 ILE 10 -8.188 -9.620 -4.326 82 2HG1 ILE 10 HG11 ILE 10 -7.841 -7.973 -3.807 83 1HG2 ILE 10 HG21 ILE 10 -10.810 -10.060 -2.968 84 2HG2 ILE 10 HG22 ILE 10 -10.567 -10.334 -4.693 85 3HG2 ILE 10 HG23 ILE 10 -11.875 -9.287 -4.142 86 1HD1 ILE 10 HD11 ILE 10 -7.296 -9.554 -2.064 87 2HD1 ILE 10 HD12 ILE 10 -8.945 -10.181 -2.089 88 3HD1 ILE 10 HD13 ILE 10 -8.640 -8.523 -1.565 89 H ASP 11 HN ASP 11 -11.614 -8.511 -7.141 90 HA ASP 11 HA ASP 11 -10.211 -10.802 -8.116 91 1HB ASP 11 HB2 ASP 11 -12.717 -10.534 -8.069 92 2HB ASP 11 HB1 ASP 11 -12.557 -9.361 -9.372 93 H ASP 12 HN ASP 12 -10.190 -7.453 -8.785 94 HA ASP 12 HA ASP 12 -9.150 -7.711 -11.479 95 1HB ASP 12 HB2 ASP 12 -10.653 -5.840 -10.901 96 2HB ASP 12 HB1 ASP 12 -9.471 -5.262 -9.731 97 H ILE 13 HN ILE 13 -8.030 -6.771 -8.289 98 HA ILE 13 HA ILE 13 -5.312 -6.329 -9.150 99 HB ILE 13 HB ILE 13 -6.312 -6.619 -6.312 100 1HG1 ILE 13 HG12 ILE 13 -6.047 -4.085 -7.952 101 2HG1 ILE 13 HG11 ILE 13 -7.574 -4.869 -7.560 102 1HG2 ILE 13 HG21 ILE 13 -3.871 -5.271 -7.470 103 2HG2 ILE 13 HG22 ILE 13 -3.897 -6.773 -6.549 104 3HG2 ILE 13 HG23 ILE 13 -4.336 -5.253 -5.769 105 1HD1 ILE 13 HD11 ILE 13 -5.635 -3.678 -5.591 106 2HD1 ILE 13 HD12 ILE 13 -7.147 -4.489 -5.182 107 3HD1 ILE 13 HD13 ILE 13 -7.173 -2.984 -6.100 108 H LEU 14 HN LEU 14 -4.279 -8.057 -9.844 109 HA LEU 14 HA LEU 14 -4.659 -10.690 -8.846 110 1HB LEU 14 HB2 LEU 14 -2.416 -9.541 -10.510 111 2HB LEU 14 HB1 LEU 14 -2.721 -11.249 -10.261 112 HG LEU 14 HG LEU 14 -4.558 -9.323 -11.687 113 1HD1 LEU 14 HD11 LEU 14 -2.555 -9.826 -12.966 114 2HD1 LEU 14 HD12 LEU 14 -3.965 -10.610 -13.681 115 3HD1 LEU 14 HD13 LEU 14 -2.820 -11.553 -12.726 116 1HD2 LEU 14 HD21 LEU 14 -5.860 -11.303 -12.269 117 2HD2 LEU 14 HD22 LEU 14 -5.800 -11.075 -10.521 118 3HD2 LEU 14 HD23 LEU 14 -4.791 -12.304 -11.286 119 HA PRO 15 HA PRO 15 -1.851 -10.926 -5.402 120 1HB PRO 15 HB2 PRO 15 -0.712 -13.341 -6.713 121 2HB PRO 15 HB1 PRO 15 -1.373 -13.149 -5.084 122 1HG PRO 15 HG2 PRO 15 -2.765 -14.422 -6.957 123 2HG PRO 15 HG1 PRO 15 -3.573 -13.331 -5.815 124 1HD PRO 15 HD2 PRO 15 -2.823 -12.863 -8.674 125 2HD PRO 15 HD1 PRO 15 -4.293 -12.380 -7.801 126 H GLU 16 HN GLU 16 0.156 -10.247 -4.908 127 HA GLU 16 HA GLU 16 2.236 -9.386 -5.106 128 1HB GLU 16 HB2 GLU 16 2.353 -11.132 -7.570 129 2HB GLU 16 HB1 GLU 16 3.726 -10.233 -6.935 130 1HG GLU 16 HG2 GLU 16 3.614 -11.491 -4.862 131 2HG GLU 16 HG1 GLU 16 2.198 -12.360 -5.451 132 H THR 17 HN THR 17 -0.093 -8.071 -6.209 133 HA THR 17 HA THR 17 1.265 -6.346 -8.174 134 HB THR 17 HB THR 17 -1.710 -6.875 -8.188 135 HG1 THR 17 HG1 THR 17 -0.951 -8.778 -8.877 136 1HG2 THR 17 HG21 THR 17 -1.590 -5.905 -10.441 137 2HG2 THR 17 HG22 THR 17 0.140 -5.630 -10.227 138 3HG2 THR 17 HG23 THR 17 -1.020 -4.769 -9.215 139 H GLY 18 HN GLY 18 1.202 -4.204 -7.751 140 1HA GLY 18 HA2 GLY 18 -0.622 -3.288 -5.618 141 2HA GLY 18 HA1 GLY 18 1.023 -2.692 -5.779 142 H VAL 19 HN VAL 19 -1.802 -1.492 -6.016 143 HA VAL 19 HA VAL 19 -1.345 -0.150 -8.602 144 HB VAL 19 HB VAL 19 -3.798 0.065 -8.872 145 1HG1 VAL 19 HG11 VAL 19 -2.618 -1.708 -10.040 146 2HG1 VAL 19 HG12 VAL 19 -4.223 -2.252 -9.550 147 3HG1 VAL 19 HG13 VAL 19 -2.801 -2.771 -8.643 148 1HG2 VAL 19 HG21 VAL 19 -3.928 -1.826 -6.526 149 2HG2 VAL 19 HG22 VAL 19 -5.290 -1.360 -7.544 150 3HG2 VAL 19 HG23 VAL 19 -4.479 -0.151 -6.550 151 H CYS 20 HN CYS 20 -2.214 2.012 -8.760 152 HA CYS 20 HA CYS 20 -2.239 3.364 -6.158 153 1HB CYS 20 HB2 CYS 20 -1.788 5.429 -7.560 154 2HB CYS 20 HB1 CYS 20 -0.499 4.231 -7.526 155 HG CYS 20 HG CYS 20 -2.696 3.968 -10.069 156 H ALA 21 HN ALA 21 -4.222 3.657 -5.423 157 HA ALA 21 HA ALA 21 -6.407 4.142 -7.315 158 1HB ALA 21 HB1 ALA 21 -6.506 3.518 -4.364 159 2HB ALA 21 HB2 ALA 21 -6.720 2.353 -5.671 160 3HB ALA 21 HB3 ALA 21 -7.893 3.651 -5.446 161 H LEU 22 HN LEU 22 -7.852 5.893 -7.016 162 HA LEU 22 HA LEU 22 -6.580 8.187 -5.718 163 1HB LEU 22 HB2 LEU 22 -8.765 8.068 -7.795 164 2HB LEU 22 HB1 LEU 22 -8.148 9.547 -7.084 165 HG LEU 22 HG LEU 22 -6.561 7.612 -8.776 166 1HD1 LEU 22 HD11 LEU 22 -8.203 8.867 -10.062 167 2HD1 LEU 22 HD12 LEU 22 -6.569 9.420 -10.422 168 3HD1 LEU 22 HD13 LEU 22 -7.611 10.376 -9.369 169 1HD2 LEU 22 HD21 LEU 22 -4.808 9.319 -8.705 170 2HD2 LEU 22 HD22 LEU 22 -5.166 8.699 -7.093 171 3HD2 LEU 22 HD23 LEU 22 -5.782 10.275 -7.587 172 H LEU 23 HN LEU 23 -7.202 8.127 -3.631 173 HA LEU 23 HA LEU 23 -10.073 8.003 -3.040 174 1HB LEU 23 HB2 LEU 23 -8.307 6.658 -1.746 175 2HB LEU 23 HB1 LEU 23 -7.808 8.185 -1.052 176 HG LEU 23 HG LEU 23 -10.683 7.436 -0.807 177 1HD1 LEU 23 HD11 LEU 23 -9.505 5.362 -0.269 178 2HD1 LEU 23 HD12 LEU 23 -10.212 6.089 1.174 179 3HD1 LEU 23 HD13 LEU 23 -8.481 6.235 0.870 180 1HD2 LEU 23 HD21 LEU 23 -9.896 9.576 0.052 181 2HD2 LEU 23 HD22 LEU 23 -8.678 8.749 1.024 182 3HD2 LEU 23 HD23 LEU 23 -10.391 8.520 1.377 183 H GLY 24 HN GLY 24 -10.671 10.002 -3.865 184 1HA GLY 24 HA2 GLY 24 -10.946 12.301 -3.855 185 2HA GLY 24 HA1 GLY 24 -9.927 12.376 -2.418 186 H ASP 25 HN ASP 25 -8.103 13.484 -2.735 187 HA ASP 25 HA ASP 25 -6.785 13.271 -5.361 188 1HB ASP 25 HB2 ASP 25 -6.523 15.327 -3.164 189 2HB ASP 25 HB1 ASP 25 -5.402 15.229 -4.519 190 H GLU 26 HN GLU 26 -6.806 11.813 -2.497 191 HA GLU 26 HA GLU 26 -3.955 11.616 -2.034 192 1HB GLU 26 HB2 GLU 26 -6.271 10.140 -0.760 193 2HB GLU 26 HB1 GLU 26 -4.602 10.089 -0.212 194 1HG GLU 26 HG2 GLU 26 -6.148 12.653 -0.367 195 2HG GLU 26 HG1 GLU 26 -6.210 11.600 1.046 196 H GLN 27 HN GLN 27 -2.797 10.385 -3.387 197 HA GLN 27 HA GLN 27 -3.968 8.107 -4.710 198 1HB GLN 27 HB2 GLN 27 -1.125 9.121 -4.631 199 2HB GLN 27 HB1 GLN 27 -1.642 7.720 -5.559 200 1HG GLN 27 HG2 GLN 27 -3.297 9.255 -6.700 201 2HG GLN 27 HG1 GLN 27 -2.433 10.590 -5.941 202 1HE2 GLN 27 HE21 GLN 27 -0.877 7.668 -7.067 203 2HE2 GLN 27 HE22 GLN 27 -0.026 8.402 -8.377 204 H VAL 28 HN VAL 28 -4.370 6.341 -3.647 205 HA VAL 28 HA VAL 28 -2.666 5.598 -1.374 206 HB VAL 28 HB VAL 28 -5.385 4.501 -2.111 207 1HG1 VAL 28 HG11 VAL 28 -5.388 3.743 0.249 208 2HG1 VAL 28 HG12 VAL 28 -3.713 4.270 0.382 209 3HG1 VAL 28 HG13 VAL 28 -4.144 2.974 -0.735 210 1HG2 VAL 28 HG21 VAL 28 -6.275 5.917 -0.323 211 2HG2 VAL 28 HG22 VAL 28 -5.555 6.881 -1.613 212 3HG2 VAL 28 HG23 VAL 28 -4.680 6.638 -0.102 213 H ALA 29 HN ALA 29 -1.400 3.849 -1.470 214 HA ALA 29 HA ALA 29 -1.368 2.326 -3.954 215 1HB ALA 29 HB1 ALA 29 0.553 2.270 -1.630 216 2HB ALA 29 HB2 ALA 29 0.741 3.237 -3.091 217 3HB ALA 29 HB3 ALA 29 0.777 1.476 -3.188 218 H ILE 30 HN ILE 30 -2.766 0.702 -3.999 219 HA ILE 30 HA ILE 30 -3.287 -0.866 -1.587 220 HB ILE 30 HB ILE 30 -4.534 -1.171 -4.324 221 1HG1 ILE 30 HG12 ILE 30 -5.612 0.299 -1.907 222 2HG1 ILE 30 HG11 ILE 30 -4.975 1.068 -3.358 223 1HG2 ILE 30 HG21 ILE 30 -4.701 -3.161 -2.939 224 2HG2 ILE 30 HG22 ILE 30 -6.283 -2.398 -3.105 225 3HG2 ILE 30 HG23 ILE 30 -5.362 -2.206 -1.612 226 1HD1 ILE 30 HD11 ILE 30 -7.398 1.042 -3.380 227 2HD1 ILE 30 HD12 ILE 30 -7.396 -0.714 -3.219 228 3HD1 ILE 30 HD13 ILE 30 -6.753 0.038 -4.679 229 H PHE 31 HN PHE 31 -1.959 -2.498 -1.195 230 HA PHE 31 HA PHE 31 -0.716 -3.882 -3.475 231 1HB PHE 31 HB2 PHE 31 0.137 -3.717 -0.577 232 2HB PHE 31 HB1 PHE 31 0.937 -4.704 -1.793 233 HD1 PHE 31 HD1 PHE 31 0.638 -1.444 -0.329 234 HD2 PHE 31 HD2 PHE 31 2.041 -3.572 -3.735 235 HE1 PHE 31 HE1 PHE 31 2.084 0.457 -0.916 236 HE2 PHE 31 HE2 PHE 31 3.487 -1.673 -4.330 237 HZ PHE 31 HZ PHE 31 3.510 0.344 -2.917 238 H ARG 32 HN ARG 32 -1.580 -5.800 -3.969 239 HA ARG 32 HA ARG 32 -2.499 -7.482 -1.733 240 1HB ARG 32 HB2 ARG 32 -4.107 -7.211 -3.623 241 2HB ARG 32 HB1 ARG 32 -2.912 -7.914 -4.705 242 1HG ARG 32 HG2 ARG 32 -2.974 -9.995 -3.397 243 2HG ARG 32 HG1 ARG 32 -4.217 -9.290 -2.364 244 1HD ARG 32 HD2 ARG 32 -5.657 -9.021 -4.356 245 2HD ARG 32 HD1 ARG 32 -4.426 -9.829 -5.323 246 HE ARG 32 HE ARG 32 -5.168 -11.426 -3.097 247 1HH1 ARG 32 HH11 ARG 32 -6.300 -10.387 -6.247 248 2HH1 ARG 32 HH12 ARG 32 -7.306 -11.783 -6.481 249 1HH2 ARG 32 HH21 ARG 32 -6.479 -13.261 -3.402 250 2HH2 ARG 32 HH22 ARG 32 -7.403 -13.436 -4.861 251 HA PRO 33 HA PRO 33 1.510 -9.287 -2.702 252 1HB PRO 33 HB2 PRO 33 2.251 -9.761 -0.165 253 2HB PRO 33 HB1 PRO 33 2.311 -8.148 -0.877 254 1HG PRO 33 HG2 PRO 33 0.437 -9.260 1.114 255 2HG PRO 33 HG1 PRO 33 0.908 -7.578 0.830 256 1HD PRO 33 HD2 PRO 33 -1.460 -8.914 -0.058 257 2HD PRO 33 HD1 PRO 33 -0.959 -7.248 -0.399 258 H TYR 34 HN TYR 34 -1.096 -10.638 -0.815 259 HA TYR 34 HA TYR 34 0.090 -13.311 -0.960 260 1HB TYR 34 HB2 TYR 34 -2.395 -12.386 0.503 261 2HB TYR 34 HB1 TYR 34 -1.677 -13.987 0.600 262 HD1 TYR 34 HD1 TYR 34 0.648 -14.196 1.627 263 HD2 TYR 34 HD2 TYR 34 -1.698 -10.659 1.929 264 HE1 TYR 34 HE1 TYR 34 2.005 -13.465 3.546 265 HE2 TYR 34 HE2 TYR 34 -0.343 -9.919 3.842 266 HH TYR 34 HH TYR 34 1.097 -10.827 5.552 267 H HIS 35 HN HIS 35 -1.398 -15.107 -1.535 268 HA HIS 35 HA HIS 35 -2.970 -14.455 -3.888 269 1HB HIS 35 HB2 HIS 35 -2.174 -17.027 -2.539 270 2HB HIS 35 HB1 HIS 35 -3.415 -17.010 -3.786 271 HD1 HIS 35 HD1 HIS 35 0.279 -16.678 -3.287 272 HD2 HIS 35 HD2 HIS 35 -2.500 -16.528 -6.381 273 HE1 HIS 35 HE1 HIS 35 1.621 -16.744 -5.415 274 HE2 HIS 35 HE2 HIS 35 -0.093 -16.861 -7.261 275 H SER 36 HN SER 36 -3.433 -14.585 -0.611 276 HA SER 36 HA SER 36 -6.138 -15.525 -0.541 277 1HB SER 36 HB2 SER 36 -4.753 -13.894 1.586 278 2HB SER 36 HB1 SER 36 -6.008 -15.116 1.788 279 HG SER 36 HG SER 36 -4.559 -16.705 1.451 280 H ASP 37 HN ASP 37 -7.399 -13.747 1.095 281 HA ASP 37 HA ASP 37 -7.977 -11.521 -0.713 282 1HB ASP 37 HB2 ASP 37 -10.054 -11.303 0.576 283 2HB ASP 37 HB1 ASP 37 -9.847 -12.952 -0.001 284 H GLN 38 HN GLN 38 -5.599 -11.495 0.934 285 HA GLN 38 HA GLN 38 -6.244 -9.443 2.931 286 1HB GLN 38 HB2 GLN 38 -3.708 -11.063 2.634 287 2HB GLN 38 HB1 GLN 38 -4.100 -9.970 3.955 288 1HG GLN 38 HG2 GLN 38 -5.586 -12.499 3.278 289 2HG GLN 38 HG1 GLN 38 -4.409 -12.311 4.577 290 1HE2 GLN 38 HE21 GLN 38 -7.308 -13.003 4.570 291 2HE2 GLN 38 HE22 GLN 38 -8.036 -11.880 5.664 292 H VAL 39 HN VAL 39 -5.938 -7.430 2.315 293 HA VAL 39 HA VAL 39 -3.696 -6.792 0.523 294 HB VAL 39 HB VAL 39 -5.068 -4.992 -0.489 295 1HG1 VAL 39 HG11 VAL 39 -6.231 -7.761 -0.770 296 2HG1 VAL 39 HG12 VAL 39 -4.852 -7.109 -1.656 297 3HG1 VAL 39 HG13 VAL 39 -6.462 -6.434 -1.909 298 1HG2 VAL 39 HG21 VAL 39 -7.510 -5.024 -0.206 299 2HG2 VAL 39 HG22 VAL 39 -6.672 -4.655 1.300 300 3HG2 VAL 39 HG23 VAL 39 -7.339 -6.266 1.035 301 H PHE 40 HN PHE 40 -2.796 -4.688 0.800 302 HA PHE 40 HA PHE 40 -3.589 -3.311 3.273 303 1HB PHE 40 HB2 PHE 40 -0.764 -3.988 2.423 304 2HB PHE 40 HB1 PHE 40 -1.172 -2.904 3.749 305 HD1 PHE 40 HD1 PHE 40 -2.375 -3.809 5.737 306 HD2 PHE 40 HD2 PHE 40 -0.765 -6.326 2.706 307 HE1 PHE 40 HE1 PHE 40 -2.483 -5.723 7.275 308 HE2 PHE 40 HE2 PHE 40 -0.873 -8.246 4.241 309 HZ PHE 40 HZ PHE 40 -1.730 -7.946 6.529 310 H ALA 41 HN ALA 41 -3.107 -1.045 3.302 311 HA ALA 41 HA ALA 41 -2.508 0.092 0.663 312 1HB ALA 41 HB1 ALA 41 -4.938 -0.006 0.915 313 2HB ALA 41 HB2 ALA 41 -4.356 1.658 0.876 314 3HB ALA 41 HB3 ALA 41 -4.819 0.920 2.410 315 H ILE 42 HN ILE 42 -1.085 1.675 0.722 316 HA ILE 42 HA ILE 42 -0.820 3.297 3.160 317 HB ILE 42 HB ILE 42 1.636 3.326 2.887 318 1HG1 ILE 42 HG12 ILE 42 1.178 1.100 0.885 319 2HG1 ILE 42 HG11 ILE 42 1.702 2.734 0.485 320 1HG2 ILE 42 HG21 ILE 42 2.066 1.081 3.784 321 2HG2 ILE 42 HG22 ILE 42 0.450 0.585 3.280 322 3HG2 ILE 42 HG23 ILE 42 0.646 1.831 4.512 323 1HD1 ILE 42 HD11 ILE 42 3.751 2.395 1.752 324 2HD1 ILE 42 HD12 ILE 42 3.564 1.170 0.498 325 3HD1 ILE 42 HD13 ILE 42 3.225 0.768 2.181 326 H SER 43 HN SER 43 0.930 5.142 2.494 327 HA SER 43 HA SER 43 -0.293 6.720 0.493 328 1HB SER 43 HB2 SER 43 2.497 7.046 1.628 329 2HB SER 43 HB1 SER 43 1.489 8.299 0.906 330 HG SER 43 HG SER 43 0.185 7.068 2.929 331 H ASN 44 HN ASN 44 -0.074 6.586 -1.668 332 HA ASN 44 HA ASN 44 1.772 4.711 -2.814 333 1HB ASN 44 HB2 ASN 44 -0.433 4.970 -3.802 334 2HB ASN 44 HB1 ASN 44 -0.132 6.676 -4.108 335 1HD2 ASN 44 HD21 ASN 44 1.076 7.279 -5.854 336 2HD2 ASN 44 HD22 ASN 44 1.606 6.175 -7.071 337 H ILE 45 HN ILE 45 1.639 8.165 -2.410 338 HA ILE 45 HA ILE 45 4.142 8.430 -3.931 339 HB ILE 45 HB ILE 45 2.218 10.622 -3.128 340 1HG1 ILE 45 HG12 ILE 45 2.623 9.194 -5.763 341 2HG1 ILE 45 HG11 ILE 45 1.160 9.226 -4.785 342 1HG2 ILE 45 HG21 ILE 45 4.517 11.399 -3.335 343 2HG2 ILE 45 HG22 ILE 45 3.529 12.023 -4.655 344 3HG2 ILE 45 HG23 ILE 45 4.633 10.675 -4.939 345 1HD1 ILE 45 HD11 ILE 45 0.950 11.631 -5.226 346 2HD1 ILE 45 HD12 ILE 45 0.929 10.664 -6.701 347 3HD1 ILE 45 HD13 ILE 45 2.384 11.550 -6.248 348 H ASP 46 HN ASP 46 5.940 8.793 -2.829 349 HA ASP 46 HA ASP 46 5.886 9.331 -0.001 350 1HB ASP 46 HB2 ASP 46 7.806 8.182 -0.231 351 2HB ASP 46 HB1 ASP 46 7.844 8.455 -1.967 352 HA PRO 47 HA PRO 47 5.735 13.686 -0.776 353 1HB PRO 47 HB2 PRO 47 5.380 14.238 1.966 354 2HB PRO 47 HB1 PRO 47 4.117 13.994 0.760 355 1HG PRO 47 HG2 PRO 47 4.689 12.314 2.936 356 2HG PRO 47 HG1 PRO 47 3.645 11.931 1.560 357 1HD PRO 47 HD2 PRO 47 6.470 11.146 2.077 358 2HD PRO 47 HD1 PRO 47 5.189 10.268 1.213 359 H PHE 48 HN PHE 48 8.206 12.112 0.911 360 HA PHE 48 HA PHE 48 9.435 14.575 1.883 361 1HB PHE 48 HB2 PHE 48 10.415 11.717 2.075 362 2HB PHE 48 HB1 PHE 48 11.117 13.109 2.893 363 HD1 PHE 48 HD1 PHE 48 9.573 14.405 4.496 364 HD2 PHE 48 HD2 PHE 48 8.791 10.454 3.127 365 HE1 PHE 48 HE1 PHE 48 8.070 14.044 6.409 366 HE2 PHE 48 HE2 PHE 48 7.283 10.086 5.036 367 HZ PHE 48 HZ PHE 48 6.921 11.884 6.679 368 H PHE 49 HN PHE 49 10.338 11.825 -0.179 369 HA PHE 49 HA PHE 49 12.461 13.455 -1.374 370 1HB PHE 49 HB2 PHE 49 12.872 11.106 -0.534 371 2HB PHE 49 HB1 PHE 49 11.836 10.531 -1.834 372 HD1 PHE 49 HD1 PHE 49 14.984 12.314 -1.097 373 HD2 PHE 49 HD2 PHE 49 12.670 10.245 -4.006 374 HE1 PHE 49 HE1 PHE 49 16.934 12.244 -2.593 375 HE2 PHE 49 HE2 PHE 49 14.614 10.180 -5.509 376 HZ PHE 49 HZ PHE 49 16.750 11.172 -4.799 377 H GLU 50 HN GLU 50 9.292 12.605 -1.854 378 HA GLU 50 HA GLU 50 7.776 12.899 -3.473 379 1HB GLU 50 HB2 GLU 50 9.992 14.525 -4.694 380 2HB GLU 50 HB1 GLU 50 8.427 14.335 -5.475 381 1HG GLU 50 HG2 GLU 50 7.362 15.234 -3.413 382 2HG GLU 50 HG1 GLU 50 8.975 15.559 -2.780 383 H SER 51 HN SER 51 8.397 10.530 -3.482 384 HA SER 51 HA SER 51 9.167 9.694 -6.187 385 1HB SER 51 HB2 SER 51 8.620 7.965 -3.758 386 2HB SER 51 HB1 SER 51 9.396 7.471 -5.263 387 HG SER 51 HG SER 51 10.386 9.181 -3.230 388 H SER 52 HN SER 52 7.583 9.298 -7.612 389 HA SER 52 HA SER 52 4.952 9.955 -6.882 390 1HB SER 52 HB2 SER 52 5.910 8.740 -9.464 391 2HB SER 52 HB1 SER 52 4.388 9.593 -9.218 392 HG SER 52 HG SER 52 5.518 11.479 -8.848 393 H VAL 53 HN VAL 53 6.391 6.827 -7.626 394 HA VAL 53 HA VAL 53 3.871 5.630 -6.701 395 HB VAL 53 HB VAL 53 4.302 3.735 -8.339 396 1HG1 VAL 53 HG11 VAL 53 2.505 5.354 -8.636 397 2HG1 VAL 53 HG12 VAL 53 3.215 4.916 -10.190 398 3HG1 VAL 53 HG13 VAL 53 3.618 6.460 -9.440 399 1HG2 VAL 53 HG21 VAL 53 5.599 4.306 -10.348 400 2HG2 VAL 53 HG22 VAL 53 6.609 4.268 -8.904 401 3HG2 VAL 53 HG23 VAL 53 6.104 5.813 -9.586 402 H LEU 54 HN LEU 54 4.176 4.463 -4.941 403 HA LEU 54 HA LEU 54 6.632 2.941 -4.569 404 1HB LEU 54 HB2 LEU 54 4.154 3.144 -2.851 405 2HB LEU 54 HB1 LEU 54 5.603 2.255 -2.424 406 HG LEU 54 HG LEU 54 5.362 5.244 -2.757 407 1HD1 LEU 54 HD11 LEU 54 5.908 3.518 -0.348 408 2HD1 LEU 54 HD12 LEU 54 4.422 4.410 -0.681 409 3HD1 LEU 54 HD13 LEU 54 5.925 5.282 -0.373 410 1HD2 LEU 54 HD21 LEU 54 7.520 4.484 -3.589 411 2HD2 LEU 54 HD22 LEU 54 7.785 3.572 -2.103 412 3HD2 LEU 54 HD23 LEU 54 7.706 5.333 -2.053 413 H SER 55 HN SER 55 3.452 2.579 -5.758 414 HA SER 55 HA SER 55 2.947 -0.133 -5.229 415 1HB SER 55 HB2 SER 55 1.357 0.200 -7.267 416 2HB SER 55 HB1 SER 55 1.070 1.125 -5.792 417 HG SER 55 HG SER 55 1.386 2.876 -6.894 418 H ARG 56 HN ARG 56 4.814 1.431 -7.687 419 HA ARG 56 HA ARG 56 4.937 -0.915 -9.385 420 1HB ARG 56 HB2 ARG 56 6.341 1.753 -9.615 421 2HB ARG 56 HB1 ARG 56 6.366 0.481 -10.829 422 1HG ARG 56 HG2 ARG 56 3.895 0.684 -11.007 423 2HG ARG 56 HG1 ARG 56 3.978 2.069 -9.916 424 1HD ARG 56 HD2 ARG 56 3.908 2.882 -12.169 425 2HD ARG 56 HD1 ARG 56 5.525 3.164 -11.524 426 HE ARG 56 HE ARG 56 5.601 0.707 -12.817 427 1HH1 ARG 56 HH11 ARG 56 5.074 4.074 -13.645 428 2HH1 ARG 56 HH12 ARG 56 5.594 3.878 -15.293 429 1HH2 ARG 56 HH21 ARG 56 6.294 0.449 -14.955 430 2HH2 ARG 56 HH22 ARG 56 6.282 1.801 -16.049 431 H GLY 57 HN GLY 57 5.889 -1.484 -6.856 432 1HA GLY 57 HA2 GLY 57 8.784 -1.760 -7.334 433 2HA GLY 57 HA1 GLY 57 8.195 -1.162 -5.789 434 H LEU 58 HN LEU 58 9.781 -3.334 -5.789 435 HA LEU 58 HA LEU 58 8.255 -5.766 -6.121 436 1HB LEU 58 HB2 LEU 58 11.083 -5.299 -5.168 437 2HB LEU 58 HB1 LEU 58 10.364 -6.880 -5.384 438 HG LEU 58 HG LEU 58 11.697 -6.538 -7.284 439 1HD1 LEU 58 HD11 LEU 58 10.121 -6.437 -9.144 440 2HD1 LEU 58 HD12 LEU 58 8.881 -5.811 -8.058 441 3HD1 LEU 58 HD13 LEU 58 9.518 -7.439 -7.825 442 1HD2 LEU 58 HD21 LEU 58 10.459 -3.803 -7.572 443 2HD2 LEU 58 HD22 LEU 58 11.611 -4.535 -8.690 444 3HD2 LEU 58 HD23 LEU 58 12.103 -4.157 -7.039 445 H ILE 59 HN ILE 59 7.611 -7.167 -4.543 446 HA ILE 59 HA ILE 59 7.632 -6.095 -1.797 447 HB ILE 59 HB ILE 59 5.745 -8.145 -2.984 448 1HG1 ILE 59 HG12 ILE 59 5.247 -5.230 -2.334 449 2HG1 ILE 59 HG11 ILE 59 5.457 -5.877 -3.957 450 1HG2 ILE 59 HG21 ILE 59 5.703 -6.700 -0.337 451 2HG2 ILE 59 HG22 ILE 59 6.057 -8.410 -0.586 452 3HG2 ILE 59 HG23 ILE 59 4.444 -7.782 -0.933 453 1HD1 ILE 59 HD11 ILE 59 3.114 -5.511 -3.443 454 2HD1 ILE 59 HD12 ILE 59 3.239 -6.583 -2.048 455 3HD1 ILE 59 HD13 ILE 59 3.446 -7.227 -3.679 456 H ALA 60 HN ALA 60 9.264 -6.986 -0.698 457 HA ALA 60 HA ALA 60 9.894 -9.823 -1.199 458 1HB ALA 60 HB1 ALA 60 12.184 -9.333 -0.549 459 2HB ALA 60 HB2 ALA 60 11.752 -7.654 -0.232 460 3HB ALA 60 HB3 ALA 60 11.679 -8.287 -1.876 461 H GLU 61 HN GLU 61 10.417 -11.148 0.549 462 HA GLU 61 HA GLU 61 8.990 -10.577 2.959 463 1HB GLU 61 HB2 GLU 61 9.111 -12.855 2.017 464 2HB GLU 61 HB1 GLU 61 10.848 -12.874 2.300 465 1HG GLU 61 HG2 GLU 61 10.304 -12.511 4.753 466 2HG GLU 61 HG1 GLU 61 8.633 -12.880 4.326 467 H HIS 62 HN HIS 62 9.750 -10.030 4.926 468 HA HIS 62 HA HIS 62 12.663 -10.011 5.330 469 1HB HIS 62 HB2 HIS 62 11.942 -7.698 5.048 470 2HB HIS 62 HB1 HIS 62 10.686 -7.914 6.258 471 HD1 HIS 62 HD1 HIS 62 11.313 -7.526 8.671 472 HD2 HIS 62 HD2 HIS 62 14.616 -7.660 6.128 473 HE1 HIS 62 HE1 HIS 62 13.279 -6.766 10.054 474 HE2 HIS 62 HE2 HIS 62 15.278 -6.925 8.524 475 H GLN 63 HN GLN 63 12.165 -12.152 6.170 476 HA GLN 63 HA GLN 63 12.075 -13.591 7.908 477 1HB GLN 63 HB2 GLN 63 12.538 -10.996 9.328 478 2HB GLN 63 HB1 GLN 63 12.320 -12.480 10.241 479 1HG GLN 63 HG2 GLN 63 14.672 -11.974 9.920 480 2HG GLN 63 HG1 GLN 63 14.228 -13.477 9.117 481 1HE2 GLN 63 HE21 GLN 63 14.245 -13.582 6.874 482 2HE2 GLN 63 HE22 GLN 63 15.034 -12.375 5.910 483 H GLY 64 HN GLY 64 9.531 -12.164 6.968 484 1HA GLY 64 HA2 GLY 64 7.557 -13.548 7.975 485 2HA GLY 64 HA1 GLY 64 7.887 -12.520 9.362 486 H GLU 65 HN GLU 65 8.470 -10.119 8.052 487 HA GLU 65 HA GLU 65 5.754 -9.369 7.291 488 1HB GLU 65 HB2 GLU 65 8.030 -7.419 7.362 489 2HB GLU 65 HB1 GLU 65 6.325 -7.142 7.674 490 1HG GLU 65 HG2 GLU 65 7.156 -6.977 9.780 491 2HG GLU 65 HG1 GLU 65 6.785 -8.702 9.733 492 H LEU 66 HN LEU 66 5.338 -8.071 5.403 493 HA LEU 66 HA LEU 66 7.194 -8.682 3.208 494 1HB LEU 66 HB2 LEU 66 4.268 -7.949 3.126 495 2HB LEU 66 HB1 LEU 66 5.270 -8.232 1.715 496 HG LEU 66 HG LEU 66 4.564 -10.278 3.821 497 1HD1 LEU 66 HD11 LEU 66 3.320 -11.342 2.004 498 2HD1 LEU 66 HD12 LEU 66 3.722 -9.992 0.944 499 3HD1 LEU 66 HD13 LEU 66 2.702 -9.729 2.358 500 1HD2 LEU 66 HD21 LEU 66 6.802 -10.663 2.950 501 2HD2 LEU 66 HD22 LEU 66 6.194 -10.547 1.298 502 3HD2 LEU 66 HD23 LEU 66 5.681 -11.878 2.335 503 H TRP 67 HN TRP 67 8.424 -7.108 2.528 504 HA TRP 67 HA TRP 67 7.608 -4.328 3.067 505 1HB TRP 67 HB2 TRP 67 10.351 -5.584 2.879 506 2HB TRP 67 HB1 TRP 67 10.087 -3.845 2.903 507 HD1 TRP 67 HD1 TRP 67 9.160 -6.869 5.182 508 HE1 TRP 67 HE1 TRP 67 9.413 -6.109 7.634 509 HE3 TRP 67 HE3 TRP 67 10.448 -1.990 4.379 510 HZ2 TRP 67 HZ2 TRP 67 10.078 -3.746 9.027 511 HZ3 TRP 67 HZ3 TRP 67 10.868 -0.547 6.325 512 HH2 TRP 67 HH2 TRP 67 10.683 -1.408 8.601 513 H VAL 68 HN VAL 68 7.455 -2.937 1.405 514 HA VAL 68 HA VAL 68 8.011 -3.994 -1.264 515 HB VAL 68 HB VAL 68 5.750 -3.156 -0.940 516 1HG1 VAL 68 HG11 VAL 68 5.300 -0.777 -0.546 517 2HG1 VAL 68 HG12 VAL 68 7.024 -0.503 -0.289 518 3HG1 VAL 68 HG13 VAL 68 6.120 -1.537 0.818 519 1HG2 VAL 68 HG21 VAL 68 5.637 -1.592 -2.825 520 2HG2 VAL 68 HG22 VAL 68 6.724 -2.944 -3.148 521 3HG2 VAL 68 HG23 VAL 68 7.384 -1.363 -2.728 522 H ALA 69 HN ALA 69 9.637 -3.293 -2.446 523 HA ALA 69 HA ALA 69 11.141 -0.944 -1.493 524 1HB ALA 69 HB1 ALA 69 12.397 -3.032 -1.327 525 2HB ALA 69 HB2 ALA 69 13.116 -1.950 -2.521 526 3HB ALA 69 HB3 ALA 69 12.146 -3.327 -3.047 527 H SER 70 HN SER 70 10.912 0.781 -2.721 528 HA SER 70 HA SER 70 9.873 0.577 -5.401 529 1HB SER 70 HB2 SER 70 10.092 3.110 -5.314 530 2HB SER 70 HB1 SER 70 9.032 2.392 -4.102 531 HG SER 70 HG SER 70 10.240 3.352 -2.690 532 HA PRO 71 HA PRO 71 13.962 0.314 -7.164 533 1HB PRO 71 HB2 PRO 71 13.217 0.318 -9.765 534 2HB PRO 71 HB1 PRO 71 13.009 -1.092 -8.720 535 1HG PRO 71 HG2 PRO 71 11.003 0.972 -9.543 536 2HG PRO 71 HG1 PRO 71 10.818 -0.788 -9.435 537 1HD PRO 71 HD2 PRO 71 9.921 0.910 -7.513 538 2HD PRO 71 HD1 PRO 71 10.472 -0.740 -7.162 539 H LEU 72 HN LEU 72 11.964 2.952 -7.123 540 HA LEU 72 HA LEU 72 13.088 4.643 -9.077 541 1HB LEU 72 HB2 LEU 72 11.777 5.373 -6.456 542 2HB LEU 72 HB1 LEU 72 12.066 6.470 -7.791 543 HG LEU 72 HG LEU 72 10.228 4.076 -7.858 544 1HD1 LEU 72 HD11 LEU 72 9.367 5.879 -6.465 545 2HD1 LEU 72 HD12 LEU 72 8.436 5.730 -7.955 546 3HD1 LEU 72 HD13 LEU 72 9.619 7.027 -7.780 547 1HD2 LEU 72 HD21 LEU 72 9.521 4.953 -10.033 548 2HD2 LEU 72 HD22 LEU 72 11.228 4.511 -10.035 549 3HD2 LEU 72 HD23 LEU 72 10.758 6.207 -9.927 550 H LYS 73 HN LYS 73 13.571 4.686 -5.541 551 HA LYS 73 HA LYS 73 16.357 5.499 -6.021 552 1HB LYS 73 HB2 LYS 73 14.460 7.240 -5.114 553 2HB LYS 73 HB1 LYS 73 15.085 6.605 -3.600 554 1HG LYS 73 HG2 LYS 73 16.269 8.605 -4.185 555 2HG LYS 73 HG1 LYS 73 17.358 7.221 -4.309 556 1HD LYS 73 HD2 LYS 73 17.224 7.214 -6.678 557 2HD LYS 73 HD1 LYS 73 15.869 8.345 -6.671 558 1HE LYS 73 HE2 LYS 73 17.331 10.086 -5.767 559 2HE LYS 73 HE1 LYS 73 18.682 8.953 -5.773 560 1HZ LYS 73 HZ1 LYS 73 18.482 10.563 -7.707 561 2HZ LYS 73 HZ2 LYS 73 17.196 9.595 -8.249 562 3HZ LYS 73 HZ3 LYS 73 18.748 8.931 -8.081 563 H LYS 74 HN LYS 74 14.648 3.087 -5.136 564 HA LYS 74 HA LYS 74 14.826 1.281 -3.807 565 1HB LYS 74 HB2 LYS 74 17.237 1.462 -4.494 566 2HB LYS 74 HB1 LYS 74 17.539 2.340 -3.001 567 1HG LYS 74 HG2 LYS 74 16.630 0.341 -1.771 568 2HG LYS 74 HG1 LYS 74 16.657 -0.516 -3.313 569 1HD LYS 74 HD2 LYS 74 18.670 -0.999 -2.044 570 2HD LYS 74 HD1 LYS 74 19.070 -0.075 -3.494 571 1HE LYS 74 HE2 LYS 74 19.211 1.965 -2.182 572 2HE LYS 74 HE1 LYS 74 18.732 1.089 -0.731 573 1HZ LYS 74 HZ1 LYS 74 21.142 1.468 -0.895 574 2HZ LYS 74 HZ2 LYS 74 21.187 0.525 -2.303 575 3HZ LYS 74 HZ3 LYS 74 20.747 -0.183 -0.824 576 H GLN 75 HN GLN 75 13.138 2.662 -2.652 577 HA GLN 75 HA GLN 75 13.999 3.020 0.140 578 1HB GLN 75 HB2 GLN 75 12.149 4.509 -1.541 579 2HB GLN 75 HB1 GLN 75 11.393 3.980 -0.045 580 1HG GLN 75 HG2 GLN 75 13.959 5.543 -0.234 581 2HG GLN 75 HG1 GLN 75 12.373 6.226 0.118 582 1HE2 GLN 75 HE21 GLN 75 12.973 6.987 2.124 583 2HE2 GLN 75 HE22 GLN 75 13.270 5.945 3.477 584 H ARG 76 HN ARG 76 12.706 2.063 1.794 585 HA ARG 76 HA ARG 76 11.200 -0.260 0.792 586 1HB ARG 76 HB2 ARG 76 13.620 -0.642 1.613 587 2HB ARG 76 HB1 ARG 76 12.958 -0.386 3.221 588 1HG ARG 76 HG2 ARG 76 11.469 -2.258 2.959 589 2HG ARG 76 HG1 ARG 76 11.985 -2.472 1.282 590 1HD ARG 76 HD2 ARG 76 14.326 -2.780 2.184 591 2HD ARG 76 HD1 ARG 76 13.598 -2.878 3.787 592 HE ARG 76 HE ARG 76 12.237 -4.770 2.685 593 1HH1 ARG 76 HH11 ARG 76 15.554 -3.965 1.942 594 2HH1 ARG 76 HH12 ARG 76 16.010 -5.599 1.553 595 1HH2 ARG 76 HH21 ARG 76 12.804 -6.921 2.137 596 2HH2 ARG 76 HH22 ARG 76 14.432 -7.290 1.663 597 H PHE 77 HN PHE 77 9.215 -0.273 1.498 598 HA PHE 77 HA PHE 77 8.611 0.946 4.117 599 1HB PHE 77 HB2 PHE 77 6.898 0.871 1.620 600 2HB PHE 77 HB1 PHE 77 6.366 1.480 3.182 601 HD1 PHE 77 HD1 PHE 77 8.714 2.063 0.387 602 HD2 PHE 77 HD2 PHE 77 6.892 3.662 3.885 603 HE1 PHE 77 HE1 PHE 77 9.563 4.297 -0.198 604 HE2 PHE 77 HE2 PHE 77 7.738 5.898 3.307 605 HZ PHE 77 HZ PHE 77 9.075 6.219 1.264 606 H ARG 78 HN ARG 78 7.285 -0.164 5.491 607 HA ARG 78 HA ARG 78 6.740 -2.951 4.822 608 1HB ARG 78 HB2 ARG 78 7.760 -2.224 7.035 609 2HB ARG 78 HB1 ARG 78 6.203 -1.514 7.430 610 1HG ARG 78 HG2 ARG 78 5.143 -3.641 7.444 611 2HG ARG 78 HG1 ARG 78 6.569 -4.423 6.761 612 1HD ARG 78 HD2 ARG 78 6.449 -4.875 9.135 613 2HD ARG 78 HD1 ARG 78 7.834 -3.840 8.794 614 HE ARG 78 HE ARG 78 5.557 -2.278 9.474 615 1HH1 ARG 78 HH11 ARG 78 8.096 -4.271 10.890 616 2HH1 ARG 78 HH12 ARG 78 7.943 -3.549 12.467 617 1HH2 ARG 78 HH21 ARG 78 5.383 -1.328 11.537 618 2HH2 ARG 78 HH22 ARG 78 6.413 -1.887 12.829 619 H LEU 79 HN LEU 79 5.000 -3.013 3.490 620 HA LEU 79 HA LEU 79 3.029 -1.017 3.420 621 1HB LEU 79 HB2 LEU 79 1.827 -2.655 1.888 622 2HB LEU 79 HB1 LEU 79 3.411 -2.091 1.404 623 HG LEU 79 HG LEU 79 4.329 -4.271 2.358 624 1HD1 LEU 79 HD11 LEU 79 1.419 -5.050 2.232 625 2HD1 LEU 79 HD12 LEU 79 2.397 -4.918 3.694 626 3HD1 LEU 79 HD13 LEU 79 2.776 -6.148 2.488 627 1HD2 LEU 79 HD21 LEU 79 2.459 -4.396 -0.002 628 2HD2 LEU 79 HD22 LEU 79 3.785 -5.510 0.332 629 3HD2 LEU 79 HD23 LEU 79 4.126 -3.818 -0.029 630 H SER 80 HN SER 80 3.252 -3.742 5.435 631 HA SER 80 HA SER 80 0.539 -4.364 5.787 632 1HB SER 80 HB2 SER 80 2.338 -5.844 6.532 633 2HB SER 80 HB1 SER 80 2.848 -4.650 7.722 634 HG SER 80 HG SER 80 1.197 -5.151 8.970 635 H ASP 81 HN ASP 81 2.669 -2.293 7.791 636 HA ASP 81 HA ASP 81 0.235 -1.122 8.964 637 1HB ASP 81 HB2 ASP 81 1.559 -0.549 10.908 638 2HB ASP 81 HB1 ASP 81 1.749 -2.263 10.558 639 H GLY 82 HN GLY 82 2.877 -0.452 6.931 640 1HA GLY 82 HA2 GLY 82 2.885 1.478 5.565 641 2HA GLY 82 HA1 GLY 82 1.956 2.325 6.792 642 H LEU 83 HN LEU 83 4.574 0.557 8.033 643 HA LEU 83 HA LEU 83 5.914 2.967 8.828 644 1HB LEU 83 HB2 LEU 83 5.757 0.935 10.257 645 2HB LEU 83 HB1 LEU 83 6.808 0.101 9.127 646 HG LEU 83 HG LEU 83 8.464 2.048 9.615 647 1HD1 LEU 83 HD11 LEU 83 6.692 2.167 12.045 648 2HD1 LEU 83 HD12 LEU 83 6.923 3.445 10.851 649 3HD1 LEU 83 HD13 LEU 83 8.266 2.945 11.878 650 1HD2 LEU 83 HD21 LEU 83 7.875 -0.118 11.622 651 2HD2 LEU 83 HD22 LEU 83 9.375 0.805 11.528 652 3HD2 LEU 83 HD23 LEU 83 8.904 -0.250 10.196 653 H CYS 84 HN CYS 84 7.884 3.744 8.143 654 HA CYS 84 HA CYS 84 9.033 2.479 5.752 655 1HB CYS 84 HB2 CYS 84 8.506 4.963 5.742 656 2HB CYS 84 HB1 CYS 84 9.768 5.158 6.955 657 HG CYS 84 HG CYS 84 11.753 5.297 5.304 658 H MET 85 HN MET 85 11.247 1.882 5.741 659 HA MET 85 HA MET 85 12.023 0.628 8.121 660 1HB MET 85 HB2 MET 85 12.657 -0.023 5.754 661 2HB MET 85 HB1 MET 85 13.887 1.233 5.832 662 1HG MET 85 HG2 MET 85 15.006 0.130 7.622 663 2HG MET 85 HG1 MET 85 13.694 -1.030 7.800 664 1HE MET 85 HE1 MET 85 16.604 -2.071 7.679 665 2HE MET 85 HE2 MET 85 16.466 -3.384 6.510 666 3HE MET 85 HE3 MET 85 15.189 -3.128 7.704 667 H GLU 86 HN GLU 86 13.723 3.336 6.490 668 HA GLU 86 HA GLU 86 15.218 3.750 8.960 669 1HB GLU 86 HB2 GLU 86 16.403 5.492 7.355 670 2HB GLU 86 HB1 GLU 86 16.789 3.781 7.319 671 1HG GLU 86 HG2 GLU 86 16.594 4.549 5.080 672 2HG GLU 86 HG1 GLU 86 15.207 3.520 5.426 673 H ASP 87 HN ASP 87 12.534 5.061 7.392 674 HA ASP 87 HA ASP 87 12.781 7.616 8.800 675 1HB ASP 87 HB2 ASP 87 12.010 7.501 6.367 676 2HB ASP 87 HB1 ASP 87 10.506 6.819 6.981 677 H GLU 88 HN GLU 88 12.120 4.762 9.739 678 HA GLU 88 HA GLU 88 9.715 4.145 10.652 679 1HB GLU 88 HB2 GLU 88 11.720 2.889 11.180 680 2HB GLU 88 HB1 GLU 88 12.250 4.145 12.286 681 1HG GLU 88 HG2 GLU 88 10.292 3.677 13.707 682 2HG GLU 88 HG1 GLU 88 9.849 2.364 12.615 683 H GLN 89 HN GLN 89 11.625 6.762 12.085 684 HA GLN 89 HA GLN 89 10.089 7.167 14.380 685 1HB GLN 89 HB2 GLN 89 11.063 9.451 14.412 686 2HB GLN 89 HB1 GLN 89 12.251 8.173 14.213 687 1HG GLN 89 HG2 GLN 89 11.184 9.492 11.774 688 2HG GLN 89 HG1 GLN 89 12.319 10.383 12.784 689 1HE2 GLN 89 HE21 GLN 89 13.919 10.382 11.250 690 2HE2 GLN 89 HE22 GLN 89 14.802 8.958 10.816 691 H PHE 90 HN PHE 90 9.353 8.031 11.090 692 HA PHE 90 HA PHE 90 6.907 9.316 12.098 693 1HB PHE 90 HB2 PHE 90 8.535 11.032 11.269 694 2HB PHE 90 HB1 PHE 90 8.428 10.294 9.674 695 HD1 PHE 90 HD1 PHE 90 6.854 11.080 8.171 696 HD2 PHE 90 HD2 PHE 90 6.278 11.767 12.332 697 HE1 PHE 90 HE1 PHE 90 4.890 12.471 7.666 698 HE2 PHE 90 HE2 PHE 90 4.310 13.158 11.833 699 HZ PHE 90 HZ PHE 90 3.614 13.509 9.496 700 H SER 91 HN SER 91 8.288 8.366 8.932 701 HA SER 91 HA SER 91 7.591 6.921 7.338 702 1HB SER 91 HB2 SER 91 5.719 5.863 9.463 703 2HB SER 91 HB1 SER 91 6.079 5.074 7.926 704 HG SER 91 HG SER 91 8.045 5.752 9.857 705 H VAL 92 HN VAL 92 5.331 6.049 6.313 706 HA VAL 92 HA VAL 92 4.041 8.559 5.599 707 HB VAL 92 HB VAL 92 3.110 7.307 3.676 708 1HG1 VAL 92 HG11 VAL 92 5.218 8.495 3.450 709 2HG1 VAL 92 HG12 VAL 92 5.237 7.018 2.487 710 3HG1 VAL 92 HG13 VAL 92 6.097 7.079 4.026 711 1HG2 VAL 92 HG21 VAL 92 2.987 5.086 4.677 712 2HG2 VAL 92 HG22 VAL 92 4.747 5.012 4.758 713 3HG2 VAL 92 HG23 VAL 92 3.938 5.046 3.191 714 H LYS 93 HN LYS 93 1.639 7.997 4.719 715 HA LYS 93 HA LYS 93 0.210 7.471 7.198 716 1HB LYS 93 HB2 LYS 93 -0.225 9.543 5.927 717 2HB LYS 93 HB1 LYS 93 -0.755 8.583 4.557 718 1HG LYS 93 HG2 LYS 93 -2.705 7.894 5.645 719 2HG LYS 93 HG1 LYS 93 -2.100 8.382 7.226 720 1HD LYS 93 HD2 LYS 93 -3.758 9.971 6.437 721 2HD LYS 93 HD1 LYS 93 -2.169 10.736 6.508 722 1HE LYS 93 HE2 LYS 93 -1.932 10.229 4.059 723 2HE LYS 93 HE1 LYS 93 -3.623 9.732 4.068 724 1HZ LYS 93 HZ1 LYS 93 -4.125 12.009 4.959 725 2HZ LYS 93 HZ2 LYS 93 -3.570 11.964 3.355 726 3HZ LYS 93 HZ3 LYS 93 -2.520 12.428 4.605 727 H HIS 94 HN HIS 94 -0.807 5.636 7.593 728 HA HIS 94 HA HIS 94 -1.126 3.654 5.483 729 1HB HIS 94 HB2 HIS 94 -0.201 3.019 7.711 730 2HB HIS 94 HB1 HIS 94 -1.744 3.441 8.440 731 HD1 HIS 94 HD1 HIS 94 -3.605 1.696 8.350 732 HD2 HIS 94 HD2 HIS 94 -0.262 0.673 6.088 733 HE1 HIS 94 HE1 HIS 94 -3.917 -0.715 7.728 734 HE2 HIS 94 HE2 HIS 94 -1.749 -1.372 6.621 735 H TYR 95 HN TYR 95 -3.029 3.036 4.623 736 HA TYR 95 HA TYR 95 -5.460 4.303 5.691 737 1HB TYR 95 HB2 TYR 95 -4.987 3.185 2.913 738 2HB TYR 95 HB1 TYR 95 -6.451 3.995 3.473 739 HD1 TYR 95 HD1 TYR 95 -2.889 4.489 2.626 740 HD2 TYR 95 HD2 TYR 95 -6.587 6.375 3.560 741 HE1 TYR 95 HE1 TYR 95 -1.956 6.649 1.916 742 HE2 TYR 95 HE2 TYR 95 -5.665 8.542 2.847 743 HH TYR 95 HH TYR 95 -2.857 8.846 1.051 744 H GLU 96 HN GLU 96 -7.133 3.032 6.303 745 HA GLU 96 HA GLU 96 -6.467 0.299 6.882 746 1HB GLU 96 HB2 GLU 96 -9.043 1.803 7.368 747 2HB GLU 96 HB1 GLU 96 -8.582 0.271 8.097 748 1HG GLU 96 HG2 GLU 96 -7.280 2.948 8.528 749 2HG GLU 96 HG1 GLU 96 -8.238 2.028 9.687 750 H ALA 97 HN ALA 97 -6.899 -1.394 5.621 751 HA ALA 97 HA ALA 97 -8.867 -1.019 3.464 752 1HB ALA 97 HB1 ALA 97 -7.509 -2.510 2.096 753 2HB ALA 97 HB2 ALA 97 -6.361 -2.697 3.422 754 3HB ALA 97 HB3 ALA 97 -6.565 -1.126 2.647 755 H ARG 98 HN ARG 98 -10.272 -2.652 2.984 756 HA ARG 98 HA ARG 98 -9.966 -5.258 4.229 757 1HB ARG 98 HB2 ARG 98 -12.128 -5.335 5.243 758 2HB ARG 98 HB1 ARG 98 -11.346 -3.876 5.832 759 1HG ARG 98 HG2 ARG 98 -12.663 -2.496 4.420 760 2HG ARG 98 HG1 ARG 98 -13.285 -3.890 3.532 761 1HD ARG 98 HD2 ARG 98 -14.385 -4.671 5.598 762 2HD ARG 98 HD1 ARG 98 -13.810 -3.224 6.428 763 HE ARG 98 HE ARG 98 -15.144 -2.150 4.386 764 1HH1 ARG 98 HH11 ARG 98 -16.060 -4.802 6.494 765 2HH1 ARG 98 HH12 ARG 98 -17.757 -4.393 6.470 766 1HH2 ARG 98 HH21 ARG 98 -17.348 -1.626 4.340 767 2HH2 ARG 98 HH22 ARG 98 -18.491 -2.577 5.246 768 H VAL 99 HN VAL 99 -11.308 -6.876 3.216 769 HA VAL 99 HA VAL 99 -12.207 -6.056 0.542 770 HB VAL 99 HB VAL 99 -11.526 -8.825 1.560 771 1HG1 VAL 99 HG11 VAL 99 -13.235 -8.887 -0.182 772 2HG1 VAL 99 HG12 VAL 99 -11.698 -9.510 -0.781 773 3HG1 VAL 99 HG13 VAL 99 -12.222 -7.884 -1.221 774 1HG2 VAL 99 HG21 VAL 99 -9.570 -8.634 0.104 775 2HG2 VAL 99 HG22 VAL 99 -9.567 -7.400 1.364 776 3HG2 VAL 99 HG23 VAL 99 -10.024 -6.975 -0.286 777 H LYS 100 HN LYS 100 -14.256 -5.446 0.730 778 HA LYS 100 HA LYS 100 -16.128 -6.963 2.385 779 1HB LYS 100 HB2 LYS 100 -16.090 -4.508 2.556 780 2HB LYS 100 HB1 LYS 100 -16.468 -4.382 0.848 781 1HG LYS 100 HG2 LYS 100 -18.596 -5.644 1.354 782 2HG LYS 100 HG1 LYS 100 -18.232 -5.386 3.061 783 1HD LYS 100 HD2 LYS 100 -18.160 -2.958 2.654 784 2HD LYS 100 HD1 LYS 100 -18.583 -3.246 0.968 785 1HE LYS 100 HE2 LYS 100 -20.684 -4.325 1.737 786 2HE LYS 100 HE1 LYS 100 -20.270 -3.861 3.388 787 1HZ LYS 100 HZ1 LYS 100 -21.733 -2.222 2.517 788 2HZ LYS 100 HZ2 LYS 100 -20.822 -2.058 1.095 789 3HZ LYS 100 HZ3 LYS 100 -20.189 -1.522 2.575 790 H ASP 101 HN ASP 101 -16.837 -8.745 1.345 791 HA ASP 101 HA ASP 101 -17.991 -10.038 -0.128 792 1HB ASP 101 HB2 ASP 101 -19.670 -8.213 0.109 793 2HB ASP 101 HB1 ASP 101 -18.952 -7.404 -1.277 794 H GLY 102 HN GLY 102 -15.342 -8.547 -0.833 795 1HA GLY 102 HA2 GLY 102 -13.931 -9.478 -2.585 796 2HA GLY 102 HA1 GLY 102 -15.320 -9.392 -3.659 797 H VAL 103 HN VAL 103 -15.546 -6.638 -1.943 798 HA VAL 103 HA VAL 103 -14.111 -5.128 -4.018 799 HB VAL 103 HB VAL 103 -16.254 -4.181 -2.102 800 1HG1 VAL 103 HG11 VAL 103 -16.366 -2.199 -3.529 801 2HG1 VAL 103 HG12 VAL 103 -15.029 -2.817 -4.498 802 3HG1 VAL 103 HG13 VAL 103 -14.766 -2.382 -2.809 803 1HG2 VAL 103 HG21 VAL 103 -16.442 -4.891 -5.029 804 2HG2 VAL 103 HG22 VAL 103 -17.733 -4.179 -4.060 805 3HG2 VAL 103 HG23 VAL 103 -17.143 -5.798 -3.688 806 H VAL 104 HN VAL 104 -12.393 -3.887 -3.529 807 HA VAL 104 HA VAL 104 -11.288 -3.963 -0.872 808 HB VAL 104 HB VAL 104 -10.338 -2.296 -3.214 809 1HG1 VAL 104 HG11 VAL 104 -8.168 -2.399 -2.082 810 2HG1 VAL 104 HG12 VAL 104 -8.905 -3.303 -0.758 811 3HG1 VAL 104 HG13 VAL 104 -9.397 -1.640 -1.070 812 1HG2 VAL 104 HG21 VAL 104 -10.471 -4.630 -3.898 813 2HG2 VAL 104 HG22 VAL 104 -9.567 -5.120 -2.465 814 3HG2 VAL 104 HG23 VAL 104 -8.786 -4.141 -3.707 815 H GLN 105 HN GLN 105 -11.920 -2.612 0.706 816 HA GLN 105 HA GLN 105 -12.758 0.103 -0.072 817 1HB GLN 105 HB2 GLN 105 -13.602 -1.576 2.286 818 2HB GLN 105 HB1 GLN 105 -13.945 0.144 2.152 819 1HG GLN 105 HG2 GLN 105 -15.079 -0.395 -0.042 820 2HG GLN 105 HG1 GLN 105 -14.959 -2.091 0.431 821 1HE2 GLN 105 HE21 GLN 105 -17.305 -0.392 0.012 822 2HE2 GLN 105 HE22 GLN 105 -18.198 -0.434 1.493 823 H LEU 106 HN LEU 106 -11.727 1.801 0.750 824 HA LEU 106 HA LEU 106 -9.588 1.291 2.705 825 1HB LEU 106 HB2 LEU 106 -9.647 3.461 0.612 826 2HB LEU 106 HB1 LEU 106 -8.304 3.032 1.651 827 HG LEU 106 HG LEU 106 -9.429 1.288 -0.543 828 1HD1 LEU 106 HD11 LEU 106 -7.340 1.818 -1.707 829 2HD1 LEU 106 HD12 LEU 106 -6.916 2.943 -0.419 830 3HD1 LEU 106 HD13 LEU 106 -8.324 3.253 -1.434 831 1HD2 LEU 106 HD21 LEU 106 -8.468 -0.008 1.281 832 2HD2 LEU 106 HD22 LEU 106 -6.993 0.956 1.204 833 3HD2 LEU 106 HD23 LEU 106 -7.439 -0.081 -0.150 834 H ARG 107 HN ARG 107 -9.997 2.188 4.608 835 HA ARG 107 HA ARG 107 -11.674 4.562 4.800 836 1HB ARG 107 HB2 ARG 107 -12.223 3.009 6.485 837 2HB ARG 107 HB1 ARG 107 -10.537 2.648 6.830 838 1HG ARG 107 HG2 ARG 107 -10.245 4.766 7.910 839 2HG ARG 107 HG1 ARG 107 -11.853 5.290 7.413 840 1HD ARG 107 HD2 ARG 107 -11.843 4.621 9.751 841 2HD ARG 107 HD1 ARG 107 -12.854 3.548 8.789 842 HE ARG 107 HE ARG 107 -10.517 2.223 8.845 843 1HH1 ARG 107 HH11 ARG 107 -12.363 3.770 11.391 844 2HH1 ARG 107 HH12 ARG 107 -11.913 2.601 12.597 845 1HH2 ARG 107 HH21 ARG 107 -9.934 0.658 10.462 846 2HH2 ARG 107 HH22 ARG 107 -10.566 0.846 12.073 847 H GLY 108 HN GLY 108 -10.813 6.462 4.619 848 1HA GLY 108 HA2 GLY 108 -8.858 7.560 6.196 849 2HA GLY 108 HA1 GLY 108 -8.006 6.947 4.781 850 H GLY 109 HN GLY 109 -7.691 9.489 4.938 851 1HA GLY 109 HA2 GLY 109 -8.156 10.762 2.748 852 2HA GLY 109 HA1 GLY 109 -9.816 10.752 3.333 853 H SER 110 HN SER 110 -9.831 11.423 5.807 854 HA SER 110 HA SER 110 -8.321 13.935 5.978 855 1HB SER 110 HB2 SER 110 -10.950 13.198 7.302 856 2HB SER 110 HB1 SER 110 -10.130 14.754 7.428 857 HG SER 110 HG SER 110 -10.458 15.082 5.228 Start of MODEL 7 1 HA MET 1 HA MET 1 -18.198 6.532 11.369 2 1HB MET 1 HB2 MET 1 -16.770 8.333 10.483 3 2HB MET 1 HB1 MET 1 -17.196 8.609 12.165 4 1HG MET 1 HG2 MET 1 -14.986 7.748 12.834 5 2HG MET 1 HG1 MET 1 -14.567 7.570 11.133 6 1HE MET 1 HE1 MET 1 -16.636 10.463 12.861 7 2HE MET 1 HE2 MET 1 -15.345 11.612 13.221 8 3HE MET 1 HE3 MET 1 -15.389 10.048 14.036 9 H SER 2 HN SER 2 -18.031 5.582 9.422 10 HA SER 2 HA SER 2 -15.440 4.545 8.590 11 1HB SER 2 HB2 SER 2 -16.565 2.324 8.022 12 2HB SER 2 HB1 SER 2 -16.232 2.633 9.726 13 HG SER 2 HG SER 2 -18.726 3.318 8.598 14 H GLN 3 HN GLN 3 -15.543 6.129 6.962 15 HA GLN 3 HA GLN 3 -17.513 5.700 4.864 16 1HB GLN 3 HB2 GLN 3 -16.786 8.011 5.409 17 2HB GLN 3 HB1 GLN 3 -15.147 7.587 4.935 18 1HG GLN 3 HG2 GLN 3 -15.989 7.076 2.662 19 2HG GLN 3 HG1 GLN 3 -17.576 7.655 3.162 20 1HE2 GLN 3 HE21 GLN 3 -17.879 9.850 3.534 21 2HE2 GLN 3 HE22 GLN 3 -16.771 11.041 2.947 22 H TRP 4 HN TRP 4 -16.963 3.568 4.306 23 HA TRP 4 HA TRP 4 -14.283 3.003 3.358 24 1HB TRP 4 HB2 TRP 4 -16.807 1.337 3.456 25 2HB TRP 4 HB1 TRP 4 -15.303 0.760 2.753 26 HD1 TRP 4 HD1 TRP 4 -16.998 1.394 6.088 27 HE1 TRP 4 HE1 TRP 4 -15.542 0.402 7.968 28 HE3 TRP 4 HE3 TRP 4 -12.816 0.272 3.371 29 HZ2 TRP 4 HZ2 TRP 4 -12.958 -0.703 8.260 30 HZ3 TRP 4 HZ3 TRP 4 -10.896 -0.747 4.523 31 HH2 TRP 4 HH2 TRP 4 -10.966 -1.225 6.916 32 H LYS 5 HN LYS 5 -13.817 4.036 1.503 33 HA LYS 5 HA LYS 5 -15.789 4.330 -0.580 34 1HB LYS 5 HB2 LYS 5 -14.079 6.071 -0.200 35 2HB LYS 5 HB1 LYS 5 -12.823 4.921 -0.630 36 1HG LYS 5 HG2 LYS 5 -13.284 6.380 -2.496 37 2HG LYS 5 HG1 LYS 5 -13.784 4.731 -2.881 38 1HD LYS 5 HD2 LYS 5 -16.108 5.347 -2.262 39 2HD LYS 5 HD1 LYS 5 -15.563 7.009 -2.027 40 1HE LYS 5 HE2 LYS 5 -16.557 6.828 -4.203 41 2HE LYS 5 HE1 LYS 5 -14.819 7.050 -4.391 42 1HZ LYS 5 HZ1 LYS 5 -16.283 4.465 -4.610 43 2HZ LYS 5 HZ2 LYS 5 -14.605 4.656 -4.749 44 3HZ LYS 5 HZ3 LYS 5 -15.630 5.363 -5.892 45 H ASP 6 HN ASP 6 -16.201 2.901 -2.117 46 HA ASP 6 HA ASP 6 -14.717 0.487 -2.391 47 1HB ASP 6 HB2 ASP 6 -16.264 -0.070 -4.146 48 2HB ASP 6 HB1 ASP 6 -17.176 0.724 -2.868 49 H ILE 7 HN ILE 7 -13.201 -0.067 -3.877 50 HA ILE 7 HA ILE 7 -12.208 2.126 -5.581 51 HB ILE 7 HB ILE 7 -10.699 -0.269 -4.513 52 1HG1 ILE 7 HG12 ILE 7 -11.236 1.279 -2.718 53 2HG1 ILE 7 HG11 ILE 7 -9.519 1.382 -3.096 54 1HG2 ILE 7 HG21 ILE 7 -9.739 2.126 -6.068 55 2HG2 ILE 7 HG22 ILE 7 -9.831 0.463 -6.647 56 3HG2 ILE 7 HG23 ILE 7 -8.705 0.887 -5.358 57 1HD1 ILE 7 HD11 ILE 7 -9.922 3.420 -4.365 58 2HD1 ILE 7 HD12 ILE 7 -10.474 3.573 -2.697 59 3HD1 ILE 7 HD13 ILE 7 -11.642 3.313 -3.993 60 H CYS 8 HN CYS 8 -11.797 -1.365 -5.544 61 HA CYS 8 HA CYS 8 -13.134 -1.746 -8.055 62 1HB CYS 8 HB2 CYS 8 -11.076 -2.790 -9.099 63 2HB CYS 8 HB1 CYS 8 -11.032 -1.036 -8.968 64 HG CYS 8 HG CYS 8 -8.561 -1.337 -8.221 65 H LYS 9 HN LYS 9 -12.019 -4.286 -8.608 66 HA LYS 9 HA LYS 9 -12.959 -5.682 -6.204 67 1HB LYS 9 HB2 LYS 9 -12.843 -6.520 -9.100 68 2HB LYS 9 HB1 LYS 9 -13.240 -7.627 -7.792 69 1HG LYS 9 HG2 LYS 9 -15.253 -6.575 -7.334 70 2HG LYS 9 HG1 LYS 9 -14.769 -5.080 -8.139 71 1HD LYS 9 HD2 LYS 9 -14.867 -6.192 -10.292 72 2HD LYS 9 HD1 LYS 9 -15.292 -7.711 -9.507 73 1HE LYS 9 HE2 LYS 9 -16.962 -5.255 -9.128 74 2HE LYS 9 HE1 LYS 9 -17.166 -6.272 -10.551 75 1HZ LYS 9 HZ1 LYS 9 -18.688 -6.823 -8.713 76 2HZ LYS 9 HZ2 LYS 9 -17.364 -7.260 -7.751 77 3HZ LYS 9 HZ3 LYS 9 -17.707 -8.129 -9.168 78 H ILE 10 HN ILE 10 -11.912 -7.739 -5.674 79 HA ILE 10 HA ILE 10 -9.103 -7.464 -5.458 80 HB ILE 10 HB ILE 10 -10.583 -8.722 -3.864 81 1HG1 ILE 10 HG12 ILE 10 -8.934 -10.524 -3.414 82 2HG1 ILE 10 HG11 ILE 10 -8.193 -10.203 -4.979 83 1HG2 ILE 10 HG21 ILE 10 -11.921 -9.950 -5.464 84 2HG2 ILE 10 HG22 ILE 10 -11.112 -11.062 -4.360 85 3HG2 ILE 10 HG23 ILE 10 -10.499 -10.846 -6.000 86 1HD1 ILE 10 HD11 ILE 10 -6.938 -9.161 -3.190 87 2HD1 ILE 10 HD12 ILE 10 -8.373 -8.276 -2.677 88 3HD1 ILE 10 HD13 ILE 10 -7.644 -7.937 -4.246 89 H ASP 11 HN ASP 11 -11.072 -8.527 -7.936 90 HA ASP 11 HA ASP 11 -9.455 -10.438 -9.245 91 1HB ASP 11 HB2 ASP 11 -11.883 -10.048 -9.671 92 2HB ASP 11 HB1 ASP 11 -11.475 -8.510 -10.419 93 H ASP 12 HN ASP 12 -9.504 -6.955 -9.151 94 HA ASP 12 HA ASP 12 -7.947 -6.456 -11.471 95 1HB ASP 12 HB2 ASP 12 -8.537 -4.791 -9.022 96 2HB ASP 12 HB1 ASP 12 -7.583 -4.194 -10.373 97 H ILE 13 HN ILE 13 -7.155 -7.048 -8.110 98 HA ILE 13 HA ILE 13 -4.349 -6.343 -8.613 99 HB ILE 13 HB ILE 13 -5.581 -6.964 -5.933 100 1HG1 ILE 13 HG12 ILE 13 -5.240 -4.239 -7.209 101 2HG1 ILE 13 HG11 ILE 13 -6.778 -5.079 -7.042 102 1HG2 ILE 13 HG21 ILE 13 -3.099 -5.450 -6.741 103 2HG2 ILE 13 HG22 ILE 13 -3.152 -7.068 -6.039 104 3HG2 ILE 13 HG23 ILE 13 -3.672 -5.677 -5.088 105 1HD1 ILE 13 HD11 ILE 13 -6.542 -5.011 -4.610 106 2HD1 ILE 13 HD12 ILE 13 -6.516 -3.397 -5.321 107 3HD1 ILE 13 HD13 ILE 13 -5.014 -4.150 -4.788 108 H LEU 14 HN LEU 14 -3.125 -7.960 -9.236 109 HA LEU 14 HA LEU 14 -3.700 -10.707 -8.628 110 1HB LEU 14 HB2 LEU 14 -1.255 -9.456 -9.900 111 2HB LEU 14 HB1 LEU 14 -1.647 -11.164 -9.896 112 HG LEU 14 HG LEU 14 -3.200 -8.990 -11.302 113 1HD1 LEU 14 HD11 LEU 14 -1.492 -11.232 -12.372 114 2HD1 LEU 14 HD12 LEU 14 -1.093 -9.514 -12.395 115 3HD1 LEU 14 HD13 LEU 14 -2.455 -10.116 -13.341 116 1HD2 LEU 14 HD21 LEU 14 -4.544 -10.804 -12.225 117 2HD2 LEU 14 HD22 LEU 14 -4.674 -10.749 -10.467 118 3HD2 LEU 14 HD23 LEU 14 -3.662 -11.969 -11.239 119 HA PRO 15 HA PRO 15 -1.128 -11.575 -5.044 120 1HB PRO 15 HB2 PRO 15 0.638 -13.119 -6.905 121 2HB PRO 15 HB1 PRO 15 0.007 -13.578 -5.317 122 1HG PRO 15 HG2 PRO 15 -1.120 -14.572 -7.460 123 2HG PRO 15 HG1 PRO 15 -2.136 -13.971 -6.145 124 1HD PRO 15 HD2 PRO 15 -1.507 -12.692 -8.779 125 2HD PRO 15 HD1 PRO 15 -3.038 -12.718 -7.877 126 H GLU 16 HN GLU 16 0.361 -10.395 -4.078 127 HA GLU 16 HA GLU 16 2.006 -8.894 -3.701 128 1HB GLU 16 HB2 GLU 16 3.431 -10.593 -5.756 129 2HB GLU 16 HB1 GLU 16 4.214 -9.426 -4.701 130 1HG GLU 16 HG2 GLU 16 4.605 -11.353 -3.549 131 2HG GLU 16 HG1 GLU 16 3.090 -10.847 -2.805 132 H THR 17 HN THR 17 0.272 -7.588 -5.020 133 HA THR 17 HA THR 17 1.751 -6.107 -7.090 134 HB THR 17 HB THR 17 -1.182 -6.797 -7.381 135 HG1 THR 17 HG1 THR 17 -0.036 -8.699 -7.662 136 1HG2 THR 17 HG21 THR 17 -0.871 -6.024 -9.683 137 2HG2 THR 17 HG22 THR 17 0.817 -5.648 -9.335 138 3HG2 THR 17 HG23 THR 17 -0.471 -4.752 -8.528 139 H GLY 18 HN GLY 18 1.288 -3.901 -7.188 140 1HA GLY 18 HA2 GLY 18 -0.593 -2.894 -5.148 141 2HA GLY 18 HA1 GLY 18 0.959 -2.130 -5.461 142 H VAL 19 HN VAL 19 -2.009 -1.348 -5.756 143 HA VAL 19 HA VAL 19 -1.777 -0.353 -8.526 144 HB VAL 19 HB VAL 19 -4.238 -0.227 -8.607 145 1HG1 VAL 19 HG11 VAL 19 -3.127 -2.178 -9.527 146 2HG1 VAL 19 HG12 VAL 19 -4.663 -2.644 -8.793 147 3HG1 VAL 19 HG13 VAL 19 -3.147 -2.961 -7.947 148 1HG2 VAL 19 HG21 VAL 19 -5.591 -1.353 -6.907 149 2HG2 VAL 19 HG22 VAL 19 -4.681 -0.011 -6.211 150 3HG2 VAL 19 HG23 VAL 19 -4.141 -1.670 -5.956 151 H CYS 20 HN CYS 20 -3.002 1.712 -8.898 152 HA CYS 20 HA CYS 20 -2.651 3.499 -6.581 153 1HB CYS 20 HB2 CYS 20 -1.226 3.979 -8.558 154 2HB CYS 20 HB1 CYS 20 -2.679 4.202 -9.526 155 HG CYS 20 HG CYS 20 -3.269 6.628 -8.762 156 H ALA 21 HN ALA 21 -4.507 3.947 -5.602 157 HA ALA 21 HA ALA 21 -6.920 4.316 -7.262 158 1HB ALA 21 HB1 ALA 21 -6.746 3.402 -4.393 159 2HB ALA 21 HB2 ALA 21 -7.075 2.371 -5.785 160 3HB ALA 21 HB3 ALA 21 -8.228 3.622 -5.322 161 H LEU 22 HN LEU 22 -8.593 5.694 -5.869 162 HA LEU 22 HA LEU 22 -7.116 7.986 -4.762 163 1HB LEU 22 HB2 LEU 22 -9.543 8.023 -6.552 164 2HB LEU 22 HB1 LEU 22 -8.952 9.426 -5.683 165 HG LEU 22 HG LEU 22 -7.437 7.914 -7.814 166 1HD1 LEU 22 HD11 LEU 22 -9.316 9.194 -8.702 167 2HD1 LEU 22 HD12 LEU 22 -7.775 9.920 -9.158 168 3HD1 LEU 22 HD13 LEU 22 -8.738 10.633 -7.863 169 1HD2 LEU 22 HD21 LEU 22 -5.949 8.863 -6.131 170 2HD2 LEU 22 HD22 LEU 22 -6.735 10.433 -6.308 171 3HD2 LEU 22 HD23 LEU 22 -5.824 9.746 -7.653 172 H LEU 23 HN LEU 23 -7.732 8.685 -2.844 173 HA LEU 23 HA LEU 23 -10.385 7.893 -1.822 174 1HB LEU 23 HB2 LEU 23 -8.430 6.736 -0.719 175 2HB LEU 23 HB1 LEU 23 -7.866 8.307 -0.189 176 HG LEU 23 HG LEU 23 -10.625 7.445 0.586 177 1HD1 LEU 23 HD11 LEU 23 -9.245 5.499 1.073 178 2HD1 LEU 23 HD12 LEU 23 -9.710 6.322 2.562 179 3HD1 LEU 23 HD13 LEU 23 -8.081 6.520 1.916 180 1HD2 LEU 23 HD21 LEU 23 -8.458 9.016 1.984 181 2HD2 LEU 23 HD22 LEU 23 -10.087 8.731 2.596 182 3HD2 LEU 23 HD23 LEU 23 -9.848 9.702 1.143 183 H GLY 24 HN GLY 24 -11.473 9.737 -2.267 184 1HA GLY 24 HA2 GLY 24 -12.079 11.955 -2.181 185 2HA GLY 24 HA1 GLY 24 -10.875 12.165 -0.912 186 H ASP 25 HN ASP 25 -9.410 13.636 -1.423 187 HA ASP 25 HA ASP 25 -8.737 14.096 -4.229 188 1HB ASP 25 HB2 ASP 25 -9.213 16.034 -2.769 189 2HB ASP 25 HB1 ASP 25 -7.848 15.589 -1.750 190 H GLU 26 HN GLU 26 -7.484 12.515 -1.452 191 HA GLU 26 HA GLU 26 -4.729 12.671 -2.346 192 1HB GLU 26 HB2 GLU 26 -5.993 11.317 0.037 193 2HB GLU 26 HB1 GLU 26 -4.273 11.259 -0.322 194 1HG GLU 26 HG2 GLU 26 -4.234 13.744 -0.217 195 2HG GLU 26 HG1 GLU 26 -5.911 13.698 0.323 196 H GLN 27 HN GLN 27 -3.557 11.067 -3.237 197 HA GLN 27 HA GLN 27 -5.007 8.799 -4.309 198 1HB GLN 27 HB2 GLN 27 -2.964 8.347 -5.577 199 2HB GLN 27 HB1 GLN 27 -3.473 10.016 -5.771 200 1HG GLN 27 HG2 GLN 27 -1.777 10.562 -3.944 201 2HG GLN 27 HG1 GLN 27 -1.157 8.935 -4.208 202 1HE2 GLN 27 HE21 GLN 27 -0.205 8.439 -6.206 203 2HE2 GLN 27 HE22 GLN 27 0.367 9.677 -7.267 204 H VAL 28 HN VAL 28 -4.567 6.659 -3.883 205 HA VAL 28 HA VAL 28 -2.924 6.109 -1.509 206 HB VAL 28 HB VAL 28 -5.720 5.055 -1.992 207 1HG1 VAL 28 HG11 VAL 28 -5.485 3.993 0.203 208 2HG1 VAL 28 HG12 VAL 28 -3.811 4.539 0.284 209 3HG1 VAL 28 HG13 VAL 28 -4.300 3.377 -0.950 210 1HG2 VAL 28 HG21 VAL 28 -6.324 6.297 0.024 211 2HG2 VAL 28 HG22 VAL 28 -5.715 7.376 -1.231 212 3HG2 VAL 28 HG23 VAL 28 -4.682 6.932 0.129 213 H ALA 29 HN ALA 29 -1.550 4.483 -1.822 214 HA ALA 29 HA ALA 29 -1.829 2.749 -4.134 215 1HB ALA 29 HB1 ALA 29 0.361 3.697 -3.599 216 2HB ALA 29 HB2 ALA 29 0.390 1.935 -3.522 217 3HB ALA 29 HB3 ALA 29 0.335 2.882 -2.035 218 H ILE 30 HN ILE 30 -3.003 0.966 -3.989 219 HA ILE 30 HA ILE 30 -3.314 -0.354 -1.392 220 HB ILE 30 HB ILE 30 -4.768 -0.953 -3.976 221 1HG1 ILE 30 HG12 ILE 30 -5.708 0.661 -1.594 222 2HG1 ILE 30 HG11 ILE 30 -5.224 1.340 -3.145 223 1HG2 ILE 30 HG21 ILE 30 -6.345 -2.142 -2.516 224 2HG2 ILE 30 HG22 ILE 30 -5.314 -1.787 -1.128 225 3HG2 ILE 30 HG23 ILE 30 -4.721 -2.824 -2.426 226 1HD1 ILE 30 HD11 ILE 30 -7.549 -0.511 -2.668 227 2HD1 ILE 30 HD12 ILE 30 -7.055 0.138 -4.232 228 3HD1 ILE 30 HD13 ILE 30 -7.631 1.226 -2.969 229 H PHE 31 HN PHE 31 -1.980 -1.965 -0.950 230 HA PHE 31 HA PHE 31 -0.779 -3.453 -3.185 231 1HB PHE 31 HB2 PHE 31 0.205 -2.983 -0.367 232 2HB PHE 31 HB1 PHE 31 0.966 -4.101 -1.492 233 HD1 PHE 31 HD1 PHE 31 2.136 -3.267 -3.465 234 HD2 PHE 31 HD2 PHE 31 0.484 -0.622 -0.572 235 HE1 PHE 31 HE1 PHE 31 3.508 -1.432 -4.363 236 HE2 PHE 31 HE2 PHE 31 1.847 1.218 -1.469 237 HZ PHE 31 HZ PHE 31 3.360 0.815 -3.365 238 H ARG 32 HN ARG 32 -1.244 -5.529 -3.414 239 HA ARG 32 HA ARG 32 -2.515 -6.953 -1.175 240 1HB ARG 32 HB2 ARG 32 -3.671 -6.973 -3.392 241 2HB ARG 32 HB1 ARG 32 -2.267 -7.774 -4.079 242 1HG ARG 32 HG2 ARG 32 -2.631 -9.672 -2.559 243 2HG ARG 32 HG1 ARG 32 -4.075 -8.869 -1.940 244 1HD ARG 32 HD2 ARG 32 -4.997 -8.869 -4.249 245 2HD ARG 32 HD1 ARG 32 -3.594 -9.807 -4.767 246 HE ARG 32 HE ARG 32 -4.871 -11.082 -2.591 247 1HH1 ARG 32 HH11 ARG 32 -5.314 -10.455 -6.014 248 2HH1 ARG 32 HH12 ARG 32 -6.273 -11.879 -6.274 249 1HH2 ARG 32 HH21 ARG 32 -6.181 -12.937 -2.943 250 2HH2 ARG 32 HH22 ARG 32 -6.757 -13.292 -4.540 251 HA PRO 33 HA PRO 33 1.688 -8.621 -1.008 252 1HB PRO 33 HB2 PRO 33 1.795 -8.974 1.645 253 2HB PRO 33 HB1 PRO 33 1.938 -7.371 0.917 254 1HG PRO 33 HG2 PRO 33 -0.385 -8.628 2.294 255 2HG PRO 33 HG1 PRO 33 0.151 -6.940 2.307 256 1HD PRO 33 HD2 PRO 33 -1.914 -7.988 0.744 257 2HD PRO 33 HD1 PRO 33 -1.101 -6.434 0.483 258 H TYR 34 HN TYR 34 -1.293 -9.960 0.184 259 HA TYR 34 HA TYR 34 -0.133 -12.662 -0.008 260 1HB TYR 34 HB2 TYR 34 -2.530 -11.786 1.625 261 2HB TYR 34 HB1 TYR 34 -1.884 -13.418 1.537 262 HD1 TYR 34 HD1 TYR 34 -1.593 -10.160 3.078 263 HD2 TYR 34 HD2 TYR 34 0.329 -13.923 2.577 264 HE1 TYR 34 HE1 TYR 34 -0.163 -9.681 5.018 265 HE2 TYR 34 HE2 TYR 34 1.762 -13.455 4.519 266 HH TYR 34 HH TYR 34 1.140 -10.996 6.715 267 H HIS 35 HN HIS 35 -0.997 -13.966 -1.536 268 HA HIS 35 HA HIS 35 -3.114 -12.885 -3.179 269 1HB HIS 35 HB2 HIS 35 -2.816 -15.197 -4.367 270 2HB HIS 35 HB1 HIS 35 -1.666 -13.893 -4.600 271 HD1 HIS 35 HD1 HIS 35 0.721 -14.269 -3.857 272 HD2 HIS 35 HD2 HIS 35 -1.838 -17.401 -2.853 273 HE1 HIS 35 HE1 HIS 35 2.204 -16.197 -3.265 274 HE2 HIS 35 HE2 HIS 35 0.653 -18.114 -2.767 275 H SER 36 HN SER 36 -4.269 -13.070 -0.910 276 HA SER 36 HA SER 36 -6.147 -15.285 -1.281 277 1HB SER 36 HB2 SER 36 -6.385 -15.341 1.257 278 2HB SER 36 HB1 SER 36 -4.884 -16.004 0.609 279 HG SER 36 HG SER 36 -4.080 -14.679 2.070 280 H ASP 37 HN ASP 37 -6.135 -12.835 1.226 281 HA ASP 37 HA ASP 37 -8.250 -11.327 -0.150 282 1HB ASP 37 HB2 ASP 37 -8.435 -12.381 2.684 283 2HB ASP 37 HB1 ASP 37 -9.534 -11.194 1.992 284 H GLN 38 HN GLN 38 -5.788 -11.533 2.305 285 HA GLN 38 HA GLN 38 -6.230 -9.050 3.542 286 1HB GLN 38 HB2 GLN 38 -3.751 -10.773 3.441 287 2HB GLN 38 HB1 GLN 38 -3.976 -9.402 4.521 288 1HG GLN 38 HG2 GLN 38 -5.801 -10.497 5.627 289 2HG GLN 38 HG1 GLN 38 -5.764 -11.819 4.464 290 1HE2 GLN 38 HE21 GLN 38 -5.500 -11.839 7.373 291 2HE2 GLN 38 HE22 GLN 38 -3.991 -12.635 7.694 292 H VAL 39 HN VAL 39 -6.041 -7.149 2.658 293 HA VAL 39 HA VAL 39 -3.699 -6.565 0.978 294 HB VAL 39 HB VAL 39 -5.069 -4.896 -0.250 295 1HG1 VAL 39 HG11 VAL 39 -6.125 -7.718 -0.386 296 2HG1 VAL 39 HG12 VAL 39 -4.708 -7.091 -1.230 297 3HG1 VAL 39 HG13 VAL 39 -6.315 -6.489 -1.635 298 1HG2 VAL 39 HG21 VAL 39 -6.799 -4.499 1.412 299 2HG2 VAL 39 HG22 VAL 39 -7.383 -6.152 1.222 300 3HG2 VAL 39 HG23 VAL 39 -7.520 -5.010 -0.114 301 H PHE 40 HN PHE 40 -2.954 -4.340 1.107 302 HA PHE 40 HA PHE 40 -3.912 -2.842 3.441 303 1HB PHE 40 HB2 PHE 40 -1.020 -3.562 2.908 304 2HB PHE 40 HB1 PHE 40 -1.548 -2.383 4.102 305 HD1 PHE 40 HD1 PHE 40 -0.965 -5.850 3.407 306 HD2 PHE 40 HD2 PHE 40 -2.984 -3.167 6.020 307 HE1 PHE 40 HE1 PHE 40 -1.189 -7.648 5.072 308 HE2 PHE 40 HE2 PHE 40 -3.212 -4.958 7.689 309 HZ PHE 40 HZ PHE 40 -2.316 -7.204 7.217 310 H ALA 41 HN ALA 41 -3.580 -0.597 3.310 311 HA ALA 41 HA ALA 41 -2.723 0.335 0.650 312 1HB ALA 41 HB1 ALA 41 -5.141 0.504 0.941 313 2HB ALA 41 HB2 ALA 41 -4.397 2.097 0.815 314 3HB ALA 41 HB3 ALA 41 -4.902 1.484 2.390 315 H ILE 42 HN ILE 42 -1.328 2.003 0.534 316 HA ILE 42 HA ILE 42 -0.854 3.683 2.876 317 HB ILE 42 HB ILE 42 1.631 3.517 2.560 318 1HG1 ILE 42 HG12 ILE 42 0.928 1.019 1.002 319 2HG1 ILE 42 HG11 ILE 42 1.590 2.496 0.309 320 1HG2 ILE 42 HG21 ILE 42 1.877 1.440 3.851 321 2HG2 ILE 42 HG22 ILE 42 0.210 1.015 3.463 322 3HG2 ILE 42 HG23 ILE 42 0.551 2.442 4.442 323 1HD1 ILE 42 HD11 ILE 42 2.963 0.725 2.321 324 2HD1 ILE 42 HD12 ILE 42 3.627 2.201 1.619 325 3HD1 ILE 42 HD13 ILE 42 3.307 0.802 0.592 326 H SER 43 HN SER 43 1.194 5.225 1.995 327 HA SER 43 HA SER 43 -0.072 6.796 -0.024 328 1HB SER 43 HB2 SER 43 2.706 7.121 1.132 329 2HB SER 43 HB1 SER 43 1.731 8.361 0.342 330 HG SER 43 HG SER 43 0.163 7.681 2.164 331 H ASN 44 HN ASN 44 0.498 7.115 -2.157 332 HA ASN 44 HA ASN 44 2.035 5.054 -3.457 333 1HB ASN 44 HB2 ASN 44 1.054 7.612 -4.727 334 2HB ASN 44 HB1 ASN 44 1.424 6.090 -5.518 335 1HD2 ASN 44 HD21 ASN 44 -0.165 4.633 -5.787 336 2HD2 ASN 44 HD22 ASN 44 -1.765 4.826 -5.160 337 H ILE 45 HN ILE 45 2.419 8.457 -2.748 338 HA ILE 45 HA ILE 45 5.039 8.545 -4.097 339 HB ILE 45 HB ILE 45 3.412 10.861 -3.025 340 1HG1 ILE 45 HG12 ILE 45 2.049 9.706 -4.684 341 2HG1 ILE 45 HG11 ILE 45 2.619 11.242 -5.324 342 1HG2 ILE 45 HG21 ILE 45 4.756 12.198 -4.572 343 2HG2 ILE 45 HG22 ILE 45 5.640 10.748 -5.046 344 3HG2 ILE 45 HG23 ILE 45 5.755 11.349 -3.392 345 1HD1 ILE 45 HD11 ILE 45 2.705 9.487 -6.994 346 2HD1 ILE 45 HD12 ILE 45 3.770 8.537 -5.958 347 3HD1 ILE 45 HD13 ILE 45 4.322 10.079 -6.614 348 H ASP 46 HN ASP 46 6.892 8.941 -2.852 349 HA ASP 46 HA ASP 46 6.921 8.873 -0.050 350 1HB ASP 46 HB2 ASP 46 8.850 9.748 -2.134 351 2HB ASP 46 HB1 ASP 46 9.133 10.332 -0.499 352 HA PRO 47 HA PRO 47 4.999 12.847 0.622 353 1HB PRO 47 HB2 PRO 47 5.610 12.325 3.455 354 2HB PRO 47 HB1 PRO 47 4.046 12.563 2.670 355 1HG PRO 47 HG2 PRO 47 4.826 10.154 3.579 356 2HG PRO 47 HG1 PRO 47 3.833 10.331 2.119 357 1HD PRO 47 HD2 PRO 47 6.771 9.811 2.364 358 2HD PRO 47 HD1 PRO 47 5.593 9.115 1.230 359 H PHE 48 HN PHE 48 7.770 12.000 2.704 360 HA PHE 48 HA PHE 48 8.530 14.809 2.796 361 1HB PHE 48 HB2 PHE 48 8.388 13.186 4.805 362 2HB PHE 48 HB1 PHE 48 9.935 12.574 4.232 363 HD1 PHE 48 HD1 PHE 48 8.234 15.736 5.195 364 HD2 PHE 48 HD2 PHE 48 11.892 13.579 4.942 365 HE1 PHE 48 HE1 PHE 48 9.377 17.540 6.416 366 HE2 PHE 48 HE2 PHE 48 13.043 15.381 6.160 367 HZ PHE 48 HZ PHE 48 11.784 17.363 6.898 368 H PHE 49 HN PHE 49 9.250 12.210 0.841 369 HA PHE 49 HA PHE 49 12.024 13.117 0.424 370 1HB PHE 49 HB2 PHE 49 11.847 10.802 1.234 371 2HB PHE 49 HB1 PHE 49 10.821 10.397 -0.135 372 HD1 PHE 49 HD1 PHE 49 11.747 9.735 -2.179 373 HD2 PHE 49 HD2 PHE 49 14.230 11.502 0.793 374 HE1 PHE 49 HE1 PHE 49 13.739 9.133 -3.490 375 HE2 PHE 49 HE2 PHE 49 16.227 10.903 -0.515 376 HZ PHE 49 HZ PHE 49 15.982 9.720 -2.661 377 H GLU 50 HN GLU 50 8.960 12.524 -1.069 378 HA GLU 50 HA GLU 50 8.098 12.892 -3.112 379 1HB GLU 50 HB2 GLU 50 9.165 15.111 -2.928 380 2HB GLU 50 HB1 GLU 50 10.622 14.459 -3.671 381 1HG GLU 50 HG2 GLU 50 9.209 13.860 -5.660 382 2HG GLU 50 HG1 GLU 50 7.909 14.792 -4.919 383 H SER 51 HN SER 51 8.104 10.807 -3.769 384 HA SER 51 HA SER 51 10.178 10.095 -5.728 385 1HB SER 51 HB2 SER 51 9.893 7.740 -5.105 386 2HB SER 51 HB1 SER 51 10.340 8.679 -3.678 387 HG SER 51 HG SER 51 8.649 7.573 -2.945 388 H SER 52 HN SER 52 8.908 7.881 -6.799 389 HA SER 52 HA SER 52 6.430 9.050 -7.832 390 1HB SER 52 HB2 SER 52 8.053 6.759 -8.982 391 2HB SER 52 HB1 SER 52 6.702 7.586 -9.760 392 HG SER 52 HG SER 52 8.575 9.371 -8.994 393 H VAL 53 HN VAL 53 5.198 6.739 -8.761 394 HA VAL 53 HA VAL 53 3.892 5.985 -6.366 395 HB VAL 53 HB VAL 53 2.610 4.399 -7.839 396 1HG1 VAL 53 HG11 VAL 53 1.463 6.171 -9.083 397 2HG1 VAL 53 HG12 VAL 53 2.811 7.262 -8.765 398 3HG1 VAL 53 HG13 VAL 53 1.825 6.664 -7.430 399 1HG2 VAL 53 HG21 VAL 53 2.913 4.594 -10.269 400 2HG2 VAL 53 HG22 VAL 53 4.344 3.925 -9.483 401 3HG2 VAL 53 HG23 VAL 53 4.331 5.610 -10.004 402 H LEU 54 HN LEU 54 4.369 4.469 -4.984 403 HA LEU 54 HA LEU 54 6.483 2.598 -5.389 404 1HB LEU 54 HB2 LEU 54 4.399 2.540 -3.209 405 2HB LEU 54 HB1 LEU 54 6.005 1.842 -3.162 406 HG LEU 54 HG LEU 54 5.376 4.794 -3.209 407 1HD1 LEU 54 HD11 LEU 54 6.368 3.014 -0.991 408 2HD1 LEU 54 HD12 LEU 54 4.772 3.759 -1.100 409 3HD1 LEU 54 HD13 LEU 54 6.205 4.768 -0.908 410 1HD2 LEU 54 HD21 LEU 54 8.013 3.354 -2.938 411 2HD2 LEU 54 HD22 LEU 54 7.767 5.094 -2.783 412 3HD2 LEU 54 HD23 LEU 54 7.483 4.298 -4.331 413 H SER 55 HN SER 55 3.271 2.625 -6.297 414 HA SER 55 HA SER 55 2.407 0.001 -5.893 415 1HB SER 55 HB2 SER 55 1.668 1.798 -8.212 416 2HB SER 55 HB1 SER 55 0.696 0.505 -7.509 417 HG SER 55 HG SER 55 0.062 1.816 -5.984 418 H ARG 56 HN ARG 56 4.687 1.291 -8.133 419 HA ARG 56 HA ARG 56 4.527 -1.077 -9.839 420 1HB ARG 56 HB2 ARG 56 4.637 1.285 -10.806 421 2HB ARG 56 HB1 ARG 56 6.317 1.310 -10.278 422 1HG ARG 56 HG2 ARG 56 6.794 -0.637 -11.663 423 2HG ARG 56 HG1 ARG 56 5.107 -0.695 -12.172 424 1HD ARG 56 HD2 ARG 56 5.333 1.479 -13.236 425 2HD ARG 56 HD1 ARG 56 7.005 1.594 -12.681 426 HE ARG 56 HE ARG 56 6.469 -0.762 -14.241 427 1HH1 ARG 56 HH11 ARG 56 7.302 2.639 -14.434 428 2HH1 ARG 56 HH12 ARG 56 8.122 2.474 -15.954 429 1HH2 ARG 56 HH21 ARG 56 7.512 -0.971 -16.254 430 2HH2 ARG 56 HH22 ARG 56 8.251 0.434 -16.985 431 H GLY 57 HN GLY 57 5.406 -1.549 -7.276 432 1HA GLY 57 HA2 GLY 57 8.238 -2.219 -7.730 433 2HA GLY 57 HA1 GLY 57 7.735 -1.483 -6.216 434 H LEU 58 HN LEU 58 9.000 -3.854 -6.063 435 HA LEU 58 HA LEU 58 7.035 -6.003 -6.309 436 1HB LEU 58 HB2 LEU 58 10.016 -6.137 -5.846 437 2HB LEU 58 HB1 LEU 58 8.966 -7.518 -6.061 438 HG LEU 58 HG LEU 58 10.032 -7.255 -8.124 439 1HD1 LEU 58 HD11 LEU 58 7.644 -7.589 -8.372 440 2HD1 LEU 58 HD12 LEU 58 8.279 -6.604 -9.688 441 3HD1 LEU 58 HD13 LEU 58 7.384 -5.846 -8.372 442 1HD2 LEU 58 HD21 LEU 58 9.441 -4.304 -7.971 443 2HD2 LEU 58 HD22 LEU 58 10.213 -5.127 -9.326 444 3HD2 LEU 58 HD23 LEU 58 11.014 -5.070 -7.755 445 H ILE 59 HN ILE 59 6.060 -6.838 -4.597 446 HA ILE 59 HA ILE 59 6.821 -6.095 -1.924 447 HB ILE 59 HB ILE 59 4.756 -8.101 -2.860 448 1HG1 ILE 59 HG12 ILE 59 4.434 -5.218 -1.983 449 2HG1 ILE 59 HG11 ILE 59 4.341 -5.785 -3.647 450 1HG2 ILE 59 HG21 ILE 59 5.130 -6.808 -0.158 451 2HG2 ILE 59 HG22 ILE 59 5.473 -8.492 -0.553 452 3HG2 ILE 59 HG23 ILE 59 3.815 -7.892 -0.614 453 1HD1 ILE 59 HD11 ILE 59 2.476 -6.543 -1.411 454 2HD1 ILE 59 HD12 ILE 59 2.379 -7.123 -3.073 455 3HD1 ILE 59 HD13 ILE 59 2.135 -5.412 -2.719 456 H ALA 60 HN ALA 60 8.181 -7.151 -0.644 457 HA ALA 60 HA ALA 60 8.898 -9.926 -1.271 458 1HB ALA 60 HB1 ALA 60 10.888 -7.693 -0.867 459 2HB ALA 60 HB2 ALA 60 10.533 -8.496 -2.396 460 3HB ALA 60 HB3 ALA 60 11.277 -9.400 -1.077 461 H GLU 61 HN GLU 61 10.832 -10.357 0.574 462 HA GLU 61 HA GLU 61 9.516 -9.686 3.123 463 1HB GLU 61 HB2 GLU 61 9.087 -12.018 2.463 464 2HB GLU 61 HB1 GLU 61 10.819 -12.300 2.346 465 1HG GLU 61 HG2 GLU 61 10.842 -11.523 4.820 466 2HG GLU 61 HG1 GLU 61 9.124 -11.921 4.763 467 H HIS 62 HN HIS 62 10.816 -8.788 4.614 468 HA HIS 62 HA HIS 62 13.703 -8.802 4.078 469 1HB HIS 62 HB2 HIS 62 12.619 -6.590 4.324 470 2HB HIS 62 HB1 HIS 62 12.128 -7.024 5.958 471 HD1 HIS 62 HD1 HIS 62 15.079 -5.916 3.947 472 HD2 HIS 62 HD2 HIS 62 14.203 -6.993 7.874 473 HE1 HIS 62 HE1 HIS 62 17.066 -5.198 5.313 474 HE2 HIS 62 HE2 HIS 62 16.576 -5.975 7.660 475 H GLN 63 HN GLN 63 11.356 -9.400 6.653 476 HA GLN 63 HA GLN 63 13.180 -11.258 7.917 477 1HB GLN 63 HB2 GLN 63 12.884 -10.141 10.167 478 2HB GLN 63 HB1 GLN 63 13.931 -9.292 9.038 479 1HG GLN 63 HG2 GLN 63 12.289 -7.656 8.592 480 2HG GLN 63 HG1 GLN 63 11.029 -8.601 9.382 481 1HE2 GLN 63 HE21 GLN 63 10.909 -8.634 11.611 482 2HE2 GLN 63 HE22 GLN 63 11.733 -7.480 12.597 483 H GLY 64 HN GLY 64 11.146 -12.278 6.820 484 1HA GLY 64 HA2 GLY 64 9.306 -13.612 7.281 485 2HA GLY 64 HA1 GLY 64 9.290 -12.970 8.918 486 H GLU 65 HN GLU 65 9.272 -10.207 7.929 487 HA GLU 65 HA GLU 65 6.408 -9.951 7.553 488 1HB GLU 65 HB2 GLU 65 8.439 -7.727 7.738 489 2HB GLU 65 HB1 GLU 65 6.721 -7.649 8.094 490 1HG GLU 65 HG2 GLU 65 6.994 -8.887 10.096 491 2HG GLU 65 HG1 GLU 65 8.657 -9.305 9.685 492 H LEU 66 HN LEU 66 5.449 -8.910 5.785 493 HA LEU 66 HA LEU 66 7.020 -8.990 3.349 494 1HB LEU 66 HB2 LEU 66 4.073 -8.538 3.805 495 2HB LEU 66 HB1 LEU 66 4.834 -8.562 2.224 496 HG LEU 66 HG LEU 66 4.641 -10.869 4.163 497 1HD1 LEU 66 HD11 LEU 66 2.571 -10.368 2.980 498 2HD1 LEU 66 HD12 LEU 66 3.273 -11.888 2.428 499 3HD1 LEU 66 HD13 LEU 66 3.428 -10.434 1.439 500 1HD2 LEU 66 HD21 LEU 66 5.701 -12.201 2.402 501 2HD2 LEU 66 HD22 LEU 66 6.777 -10.940 3.008 502 3HD2 LEU 66 HD23 LEU 66 5.964 -10.736 1.456 503 H TRP 67 HN TRP 67 8.109 -7.322 2.775 504 HA TRP 67 HA TRP 67 7.087 -4.610 3.320 505 1HB TRP 67 HB2 TRP 67 9.914 -5.630 2.937 506 2HB TRP 67 HB1 TRP 67 9.500 -3.923 2.963 507 HD1 TRP 67 HD1 TRP 67 8.805 -6.910 5.388 508 HE1 TRP 67 HE1 TRP 67 9.305 -6.093 7.790 509 HE3 TRP 67 HE3 TRP 67 10.197 -2.102 4.343 510 HZ2 TRP 67 HZ2 TRP 67 10.192 -3.743 9.049 511 HZ3 TRP 67 HZ3 TRP 67 10.857 -0.638 6.205 512 HH2 TRP 67 HH2 TRP 67 10.853 -1.442 8.509 513 H VAL 68 HN VAL 68 7.241 -3.072 1.578 514 HA VAL 68 HA VAL 68 7.351 -4.371 -1.043 515 HB VAL 68 HB VAL 68 5.355 -3.026 -0.642 516 1HG1 VAL 68 HG11 VAL 68 5.482 -0.580 -0.451 517 2HG1 VAL 68 HG12 VAL 68 7.237 -0.696 -0.322 518 3HG1 VAL 68 HG13 VAL 68 6.212 -1.401 0.929 519 1HG2 VAL 68 HG21 VAL 68 7.195 -1.783 -2.679 520 2HG2 VAL 68 HG22 VAL 68 5.439 -1.622 -2.646 521 3HG2 VAL 68 HG23 VAL 68 6.174 -3.202 -2.917 522 H ALA 69 HN ALA 69 9.006 -4.145 -2.347 523 HA ALA 69 HA ALA 69 11.186 -2.379 -1.526 524 1HB ALA 69 HB1 ALA 69 11.711 -4.752 -1.819 525 2HB ALA 69 HB2 ALA 69 12.593 -3.747 -2.970 526 3HB ALA 69 HB3 ALA 69 11.180 -4.661 -3.498 527 H SER 70 HN SER 70 10.888 -0.422 -2.367 528 HA SER 70 HA SER 70 9.817 -0.017 -4.996 529 1HB SER 70 HB2 SER 70 11.211 1.984 -3.204 530 2HB SER 70 HB1 SER 70 10.100 2.332 -4.528 531 HG SER 70 HG SER 70 9.088 2.437 -2.456 532 HA PRO 71 HA PRO 71 13.689 -0.684 -7.135 533 1HB PRO 71 HB2 PRO 71 12.334 0.924 -9.233 534 2HB PRO 71 HB1 PRO 71 13.063 -0.682 -9.342 535 1HG PRO 71 HG2 PRO 71 10.416 -0.386 -9.331 536 2HG PRO 71 HG1 PRO 71 11.187 -1.737 -8.481 537 1HD PRO 71 HD2 PRO 71 10.058 0.804 -7.374 538 2HD PRO 71 HD1 PRO 71 9.975 -0.845 -6.721 539 H LEU 72 HN LEU 72 12.084 2.375 -6.747 540 HA LEU 72 HA LEU 72 14.372 3.956 -7.497 541 1HB LEU 72 HB2 LEU 72 11.721 4.676 -6.243 542 2HB LEU 72 HB1 LEU 72 12.968 5.853 -6.593 543 HG LEU 72 HG LEU 72 12.787 5.190 -9.021 544 1HD1 LEU 72 HD11 LEU 72 11.732 3.009 -8.731 545 2HD1 LEU 72 HD12 LEU 72 10.751 4.065 -9.748 546 3HD1 LEU 72 HD13 LEU 72 10.295 3.787 -8.068 547 1HD2 LEU 72 HD21 LEU 72 11.763 7.218 -8.142 548 2HD2 LEU 72 HD22 LEU 72 10.317 6.308 -7.704 549 3HD2 LEU 72 HD23 LEU 72 10.760 6.495 -9.400 550 H LYS 73 HN LYS 73 16.057 4.139 -6.214 551 HA LYS 73 HA LYS 73 17.342 4.671 -4.422 552 1HB LYS 73 HB2 LYS 73 15.416 6.310 -3.997 553 2HB LYS 73 HB1 LYS 73 14.853 5.161 -2.794 554 1HG LYS 73 HG2 LYS 73 17.676 5.881 -2.522 555 2HG LYS 73 HG1 LYS 73 16.562 7.233 -2.331 556 1HD LYS 73 HD2 LYS 73 16.281 4.623 -0.852 557 2HD LYS 73 HD1 LYS 73 17.157 6.013 -0.213 558 1HE LYS 73 HE2 LYS 73 15.103 7.362 -0.389 559 2HE LYS 73 HE1 LYS 73 14.236 5.942 -0.974 560 1HZ LYS 73 HZ1 LYS 73 15.540 6.208 1.688 561 2HZ LYS 73 HZ2 LYS 73 14.725 4.839 1.123 562 3HZ LYS 73 HZ3 LYS 73 13.864 6.269 1.391 563 H LYS 74 HN LYS 74 15.184 2.133 -4.468 564 HA LYS 74 HA LYS 74 15.167 0.066 -3.535 565 1HB LYS 74 HB2 LYS 74 17.843 0.962 -2.460 566 2HB LYS 74 HB1 LYS 74 17.201 -0.659 -2.235 567 1HG LYS 74 HG2 LYS 74 17.739 0.629 -4.903 568 2HG LYS 74 HG1 LYS 74 18.811 -0.509 -4.084 569 1HD LYS 74 HD2 LYS 74 16.950 -2.171 -4.112 570 2HD LYS 74 HD1 LYS 74 16.018 -1.038 -5.093 571 1HE LYS 74 HE2 LYS 74 18.711 -2.176 -5.833 572 2HE LYS 74 HE1 LYS 74 17.164 -2.763 -6.442 573 1HZ LYS 74 HZ1 LYS 74 16.809 -0.805 -7.635 574 2HZ LYS 74 HZ2 LYS 74 18.453 -1.146 -7.886 575 3HZ LYS 74 HZ3 LYS 74 17.998 0.057 -6.785 576 H GLN 75 HN GLN 75 13.994 2.360 -2.189 577 HA GLN 75 HA GLN 75 14.382 2.103 0.624 578 1HB GLN 75 HB2 GLN 75 12.213 3.475 0.678 579 2HB GLN 75 HB1 GLN 75 13.631 4.205 -0.060 580 1HG GLN 75 HG2 GLN 75 12.723 3.407 -2.279 581 2HG GLN 75 HG1 GLN 75 11.229 3.036 -1.423 582 1HE2 GLN 75 HE21 GLN 75 11.564 5.341 0.385 583 2HE2 GLN 75 HE22 GLN 75 11.091 6.717 -0.556 584 H ARG 76 HN ARG 76 12.741 1.421 2.164 585 HA ARG 76 HA ARG 76 11.212 -0.889 1.161 586 1HB ARG 76 HB2 ARG 76 12.851 -0.836 3.704 587 2HB ARG 76 HB1 ARG 76 11.938 -2.199 3.076 588 1HG ARG 76 HG2 ARG 76 14.307 -0.943 1.709 589 2HG ARG 76 HG1 ARG 76 14.363 -2.396 2.706 590 1HD ARG 76 HD2 ARG 76 12.884 -3.545 1.172 591 2HD ARG 76 HD1 ARG 76 12.706 -2.080 0.206 592 HE ARG 76 HE ARG 76 15.273 -2.346 -0.028 593 1HH1 ARG 76 HH11 ARG 76 12.960 -4.967 0.093 594 2HH1 ARG 76 HH12 ARG 76 13.905 -6.022 -0.908 595 1HH2 ARG 76 HH21 ARG 76 16.522 -3.720 -1.345 596 2HH2 ARG 76 HH22 ARG 76 15.915 -5.303 -1.753 597 H PHE 77 HN PHE 77 9.144 -0.744 1.688 598 HA PHE 77 HA PHE 77 8.402 0.724 4.143 599 1HB PHE 77 HB2 PHE 77 6.779 0.409 1.604 600 2HB PHE 77 HB1 PHE 77 6.272 1.277 3.045 601 HD1 PHE 77 HD1 PHE 77 6.892 3.510 3.397 602 HD2 PHE 77 HD2 PHE 77 8.695 1.284 0.255 603 HE1 PHE 77 HE1 PHE 77 7.862 5.580 2.495 604 HE2 PHE 77 HE2 PHE 77 9.675 3.349 -0.650 605 HZ PHE 77 HZ PHE 77 9.258 5.501 0.471 606 H ARG 78 HN ARG 78 7.290 -0.417 5.654 607 HA ARG 78 HA ARG 78 6.411 -3.107 4.946 608 1HB ARG 78 HB2 ARG 78 7.700 -2.698 7.058 609 2HB ARG 78 HB1 ARG 78 6.333 -1.765 7.655 610 1HG ARG 78 HG2 ARG 78 4.926 -3.680 7.675 611 2HG ARG 78 HG1 ARG 78 6.124 -4.643 6.808 612 1HD ARG 78 HD2 ARG 78 6.154 -5.238 9.142 613 2HD ARG 78 HD1 ARG 78 7.653 -4.408 8.731 614 HE ARG 78 HE ARG 78 5.656 -2.622 9.753 615 1HH1 ARG 78 HH11 ARG 78 8.148 -4.932 10.659 616 2HH1 ARG 78 HH12 ARG 78 8.365 -4.246 12.249 617 1HH2 ARG 78 HH21 ARG 78 5.937 -1.743 11.834 618 2HH2 ARG 78 HH22 ARG 78 7.110 -2.443 12.919 619 H LEU 79 HN LEU 79 4.578 -2.987 3.838 620 HA LEU 79 HA LEU 79 2.667 -0.940 4.104 621 1HB LEU 79 HB2 LEU 79 1.281 -2.592 2.663 622 2HB LEU 79 HB1 LEU 79 2.729 -1.859 1.999 623 HG LEU 79 HG LEU 79 3.941 -4.004 2.727 624 1HD1 LEU 79 HD11 LEU 79 1.110 -5.030 2.802 625 2HD1 LEU 79 HD12 LEU 79 2.193 -4.887 4.186 626 3HD1 LEU 79 HD13 LEU 79 2.575 -6.008 2.880 627 1HD2 LEU 79 HD21 LEU 79 3.274 -5.168 0.682 628 2HD2 LEU 79 HD22 LEU 79 3.505 -3.440 0.413 629 3HD2 LEU 79 HD23 LEU 79 1.875 -4.102 0.539 630 H SER 80 HN SER 80 3.126 -3.717 5.973 631 HA SER 80 HA SER 80 0.454 -4.395 6.569 632 1HB SER 80 HB2 SER 80 2.891 -4.798 8.312 633 2HB SER 80 HB1 SER 80 1.379 -5.707 8.376 634 HG SER 80 HG SER 80 1.870 -6.309 6.138 635 H ASP 81 HN ASP 81 2.794 -2.293 8.252 636 HA ASP 81 HA ASP 81 0.547 -1.287 9.871 637 1HB ASP 81 HB2 ASP 81 2.053 -0.875 11.696 638 2HB ASP 81 HB1 ASP 81 2.285 -2.536 11.167 639 H GLY 82 HN GLY 82 3.319 -0.465 7.915 640 1HA GLY 82 HA2 GLY 82 3.033 1.590 6.588 641 2HA GLY 82 HA1 GLY 82 2.473 2.363 8.063 642 H LEU 83 HN LEU 83 4.901 0.363 9.009 643 HA LEU 83 HA LEU 83 6.665 2.525 9.538 644 1HB LEU 83 HB2 LEU 83 6.581 0.613 11.028 645 2HB LEU 83 HB1 LEU 83 7.101 -0.455 9.735 646 HG LEU 83 HG LEU 83 9.233 0.950 9.644 647 1HD1 LEU 83 HD11 LEU 83 8.223 1.838 12.336 648 2HD1 LEU 83 HD12 LEU 83 8.442 2.858 10.913 649 3HD1 LEU 83 HD13 LEU 83 9.841 2.120 11.692 650 1HD2 LEU 83 HD21 LEU 83 8.649 -0.716 12.083 651 2HD2 LEU 83 HD22 LEU 83 10.256 -0.277 11.500 652 3HD2 LEU 83 HD23 LEU 83 9.212 -1.300 10.515 653 H CYS 84 HN CYS 84 8.375 3.264 8.468 654 HA CYS 84 HA CYS 84 9.286 1.762 6.110 655 1HB CYS 84 HB2 CYS 84 9.767 4.685 6.702 656 2HB CYS 84 HB1 CYS 84 9.991 3.842 5.170 657 HG CYS 84 HG CYS 84 6.868 3.642 6.326 658 H MET 85 HN MET 85 11.456 1.215 5.964 659 HA MET 85 HA MET 85 12.735 0.970 8.515 660 1HB MET 85 HB2 MET 85 12.725 -0.756 6.644 661 2HB MET 85 HB1 MET 85 13.954 0.231 5.864 662 1HG MET 85 HG2 MET 85 15.444 -0.068 7.722 663 2HG MET 85 HG1 MET 85 14.198 -0.923 8.628 664 1HE MET 85 HE1 MET 85 16.946 -2.231 8.471 665 2HE MET 85 HE2 MET 85 16.555 -3.881 7.980 666 3HE MET 85 HE3 MET 85 15.532 -3.040 9.146 667 H GLU 86 HN GLU 86 13.972 2.296 5.440 668 HA GLU 86 HA GLU 86 16.027 3.763 6.866 669 1HB GLU 86 HB2 GLU 86 16.454 2.659 4.669 670 2HB GLU 86 HB1 GLU 86 15.328 3.783 3.922 671 1HG GLU 86 HG2 GLU 86 16.921 5.562 5.047 672 2HG GLU 86 HG1 GLU 86 18.075 4.233 4.937 673 H ASP 87 HN ASP 87 13.012 4.298 5.274 674 HA ASP 87 HA ASP 87 13.158 7.179 5.286 675 1HB ASP 87 HB2 ASP 87 10.660 5.573 4.806 676 2HB ASP 87 HB1 ASP 87 11.139 7.109 4.090 677 H GLU 88 HN GLU 88 13.051 5.233 7.674 678 HA GLU 88 HA GLU 88 10.859 5.245 9.240 679 1HB GLU 88 HB2 GLU 88 12.980 4.160 9.767 680 2HB GLU 88 HB1 GLU 88 13.712 5.720 10.097 681 1HG GLU 88 HG2 GLU 88 11.964 5.980 11.919 682 2HG GLU 88 HG1 GLU 88 11.637 4.259 11.689 683 H GLN 89 HN GLN 89 12.934 8.017 8.675 684 HA GLN 89 HA GLN 89 12.279 9.650 10.814 685 1HB GLN 89 HB2 GLN 89 12.982 10.286 7.960 686 2HB GLN 89 HB1 GLN 89 12.644 11.561 9.118 687 1HG GLN 89 HG2 GLN 89 15.018 11.233 8.922 688 2HG GLN 89 HG1 GLN 89 14.479 10.751 10.528 689 1HE2 GLN 89 HE21 GLN 89 14.602 8.610 11.136 690 2HE2 GLN 89 HE22 GLN 89 15.484 7.429 10.221 691 H PHE 90 HN PHE 90 10.451 8.957 7.898 692 HA PHE 90 HA PHE 90 8.115 10.236 9.007 693 1HB PHE 90 HB2 PHE 90 9.563 11.328 6.633 694 2HB PHE 90 HB1 PHE 90 7.804 11.353 6.623 695 HD1 PHE 90 HD1 PHE 90 10.822 12.790 8.052 696 HD2 PHE 90 HD2 PHE 90 6.574 12.670 8.274 697 HE1 PHE 90 HE1 PHE 90 10.835 14.853 9.392 698 HE2 PHE 90 HE2 PHE 90 6.581 14.731 9.614 699 HZ PHE 90 HZ PHE 90 8.713 15.826 10.175 700 H SER 91 HN SER 91 7.971 7.816 8.974 701 HA SER 91 HA SER 91 7.465 6.266 6.779 702 1HB SER 91 HB2 SER 91 6.046 6.289 9.445 703 2HB SER 91 HB1 SER 91 5.988 4.960 8.286 704 HG SER 91 HG SER 91 7.786 5.383 10.161 705 H VAL 92 HN VAL 92 5.349 5.522 5.898 706 HA VAL 92 HA VAL 92 4.002 7.941 4.998 707 HB VAL 92 HB VAL 92 3.108 6.525 3.179 708 1HG1 VAL 92 HG11 VAL 92 5.222 7.693 2.878 709 2HG1 VAL 92 HG12 VAL 92 5.239 6.143 2.037 710 3HG1 VAL 92 HG13 VAL 92 6.090 6.322 3.570 711 1HG2 VAL 92 HG21 VAL 92 3.938 4.239 2.894 712 2HG2 VAL 92 HG22 VAL 92 2.986 4.399 4.370 713 3HG2 VAL 92 HG23 VAL 92 4.746 4.338 4.459 714 H LYS 93 HN LYS 93 1.665 7.698 4.364 715 HA LYS 93 HA LYS 93 0.188 7.181 6.767 716 1HB LYS 93 HB2 LYS 93 -0.808 8.004 4.030 717 2HB LYS 93 HB1 LYS 93 -1.725 8.079 5.528 718 1HG LYS 93 HG2 LYS 93 -0.226 9.765 6.399 719 2HG LYS 93 HG1 LYS 93 0.781 9.639 4.957 720 1HD LYS 93 HD2 LYS 93 -0.682 11.593 4.848 721 2HD LYS 93 HD1 LYS 93 -1.068 10.432 3.577 722 1HE LYS 93 HE2 LYS 93 -2.922 9.579 4.954 723 2HE LYS 93 HE1 LYS 93 -2.545 10.781 6.185 724 1HZ LYS 93 HZ1 LYS 93 -3.248 11.499 3.389 725 2HZ LYS 93 HZ2 LYS 93 -3.161 12.526 4.734 726 3HZ LYS 93 HZ3 LYS 93 -4.393 11.371 4.632 727 H HIS 94 HN HIS 94 -0.548 5.244 7.303 728 HA HIS 94 HA HIS 94 -1.146 3.294 5.209 729 1HB HIS 94 HB2 HIS 94 0.269 2.407 6.917 730 2HB HIS 94 HB1 HIS 94 -0.766 3.030 8.195 731 HD1 HIS 94 HD1 HIS 94 -1.910 0.951 5.213 732 HD2 HIS 94 HD2 HIS 94 -1.550 0.709 9.348 733 HE1 HIS 94 HE1 HIS 94 -3.058 -1.191 5.876 734 HE2 HIS 94 HE2 HIS 94 -2.841 -1.314 8.386 735 H TYR 95 HN TYR 95 -3.116 3.217 4.485 736 HA TYR 95 HA TYR 95 -5.359 4.076 6.162 737 1HB TYR 95 HB2 TYR 95 -5.439 3.424 3.212 738 2HB TYR 95 HB1 TYR 95 -6.601 4.359 4.144 739 HD1 TYR 95 HD1 TYR 95 -6.099 6.683 4.783 740 HD2 TYR 95 HD2 TYR 95 -3.414 4.421 2.381 741 HE1 TYR 95 HE1 TYR 95 -4.941 8.755 4.125 742 HE2 TYR 95 HE2 TYR 95 -2.253 6.485 1.721 743 HH TYR 95 HH TYR 95 -2.827 8.929 1.538 744 H GLU 96 HN GLU 96 -7.253 2.739 6.304 745 HA GLU 96 HA GLU 96 -6.610 -0.057 6.473 746 1HB GLU 96 HB2 GLU 96 -9.183 1.440 6.969 747 2HB GLU 96 HB1 GLU 96 -8.979 -0.282 7.244 748 1HG GLU 96 HG2 GLU 96 -7.201 0.224 8.875 749 2HG GLU 96 HG1 GLU 96 -7.520 1.944 8.643 750 H ALA 97 HN ALA 97 -7.073 -1.622 5.076 751 HA ALA 97 HA ALA 97 -8.916 -1.037 2.860 752 1HB ALA 97 HB1 ALA 97 -7.429 -2.225 1.326 753 2HB ALA 97 HB2 ALA 97 -6.265 -2.460 2.631 754 3HB ALA 97 HB3 ALA 97 -6.618 -0.834 2.048 755 H ARG 98 HN ARG 98 -10.247 -2.715 2.251 756 HA ARG 98 HA ARG 98 -9.745 -5.386 3.290 757 1HB ARG 98 HB2 ARG 98 -11.843 -5.624 4.420 758 2HB ARG 98 HB1 ARG 98 -11.059 -4.189 5.064 759 1HG ARG 98 HG2 ARG 98 -12.479 -2.760 3.744 760 2HG ARG 98 HG1 ARG 98 -13.205 -4.161 2.952 761 1HD ARG 98 HD2 ARG 98 -14.018 -4.923 5.169 762 2HD ARG 98 HD1 ARG 98 -13.391 -3.431 5.870 763 HE ARG 98 HE ARG 98 -15.078 -2.739 3.755 764 1HH1 ARG 98 HH11 ARG 98 -15.292 -4.267 6.892 765 2HH1 ARG 98 HH12 ARG 98 -16.927 -3.760 7.170 766 1HH2 ARG 98 HH21 ARG 98 -17.217 -2.054 4.111 767 2HH2 ARG 98 HH22 ARG 98 -18.028 -2.476 5.596 768 H VAL 99 HN VAL 99 -11.125 -6.999 2.320 769 HA VAL 99 HA VAL 99 -12.228 -6.127 -0.257 770 HB VAL 99 HB VAL 99 -11.540 -8.920 0.690 771 1HG1 VAL 99 HG11 VAL 99 -12.376 -7.912 -2.026 772 2HG1 VAL 99 HG12 VAL 99 -13.327 -8.937 -0.951 773 3HG1 VAL 99 HG13 VAL 99 -11.835 -9.550 -1.663 774 1HG2 VAL 99 HG21 VAL 99 -9.661 -8.767 -0.883 775 2HG2 VAL 99 HG22 VAL 99 -9.543 -7.568 0.404 776 3HG2 VAL 99 HG23 VAL 99 -10.080 -7.084 -1.206 777 H LYS 100 HN LYS 100 -14.322 -5.714 -0.189 778 HA LYS 100 HA LYS 100 -16.056 -7.302 1.596 779 1HB LYS 100 HB2 LYS 100 -15.987 -4.871 2.037 780 2HB LYS 100 HB1 LYS 100 -16.527 -4.567 0.397 781 1HG LYS 100 HG2 LYS 100 -18.580 -5.920 0.942 782 2HG LYS 100 HG1 LYS 100 -18.057 -5.874 2.626 783 1HD LYS 100 HD2 LYS 100 -18.141 -3.458 2.620 784 2HD LYS 100 HD1 LYS 100 -18.551 -3.450 0.904 785 1HE LYS 100 HE2 LYS 100 -20.225 -4.598 3.135 786 2HE LYS 100 HE1 LYS 100 -20.525 -3.090 2.271 787 1HZ LYS 100 HZ1 LYS 100 -20.530 -5.809 1.054 788 2HZ LYS 100 HZ2 LYS 100 -20.817 -4.350 0.233 789 3HZ LYS 100 HZ3 LYS 100 -21.902 -4.878 1.419 790 H ASP 101 HN ASP 101 -17.103 -8.843 0.512 791 HA ASP 101 HA ASP 101 -18.358 -9.918 -1.052 792 1HB ASP 101 HB2 ASP 101 -18.986 -7.082 -1.910 793 2HB ASP 101 HB1 ASP 101 -19.763 -8.501 -2.599 794 H GLY 102 HN GLY 102 -15.526 -8.962 -1.534 795 1HA GLY 102 HA2 GLY 102 -14.096 -9.690 -3.280 796 2HA GLY 102 HA1 GLY 102 -15.447 -9.573 -4.398 797 H VAL 103 HN VAL 103 -15.564 -6.837 -2.557 798 HA VAL 103 HA VAL 103 -14.162 -5.320 -4.667 799 HB VAL 103 HB VAL 103 -16.397 -4.384 -2.849 800 1HG1 VAL 103 HG11 VAL 103 -14.931 -2.585 -3.616 801 2HG1 VAL 103 HG12 VAL 103 -16.537 -2.466 -4.335 802 3HG1 VAL 103 HG13 VAL 103 -15.188 -3.091 -5.290 803 1HG2 VAL 103 HG21 VAL 103 -16.499 -5.224 -5.744 804 2HG2 VAL 103 HG22 VAL 103 -17.830 -4.510 -4.834 805 3HG2 VAL 103 HG23 VAL 103 -17.201 -6.093 -4.379 806 H VAL 104 HN VAL 104 -12.473 -4.079 -4.104 807 HA VAL 104 HA VAL 104 -11.506 -4.119 -1.396 808 HB VAL 104 HB VAL 104 -10.422 -2.492 -3.704 809 1HG1 VAL 104 HG11 VAL 104 -8.309 -2.624 -2.477 810 2HG1 VAL 104 HG12 VAL 104 -9.112 -3.522 -1.189 811 3HG1 VAL 104 HG13 VAL 104 -9.568 -1.849 -1.514 812 1HG2 VAL 104 HG21 VAL 104 -9.729 -5.320 -2.901 813 2HG2 VAL 104 HG22 VAL 104 -8.893 -4.364 -4.126 814 3HG2 VAL 104 HG23 VAL 104 -10.577 -4.834 -4.368 815 H GLN 105 HN GLN 105 -11.858 -2.646 0.141 816 HA GLN 105 HA GLN 105 -12.885 -0.006 -0.683 817 1HB GLN 105 HB2 GLN 105 -13.416 -1.230 2.004 818 2HB GLN 105 HB1 GLN 105 -14.253 0.101 1.225 819 1HG GLN 105 HG2 GLN 105 -14.943 -1.692 -0.513 820 2HG GLN 105 HG1 GLN 105 -14.516 -2.830 0.768 821 1HE2 GLN 105 HE21 GLN 105 -16.776 -0.545 -0.361 822 2HE2 GLN 105 HE22 GLN 105 -17.917 -0.680 0.923 823 H LEU 106 HN LEU 106 -12.231 1.791 0.562 824 HA LEU 106 HA LEU 106 -9.860 1.329 2.250 825 1HB LEU 106 HB2 LEU 106 -10.357 3.602 0.331 826 2HB LEU 106 HB1 LEU 106 -9.010 3.516 1.446 827 HG LEU 106 HG LEU 106 -9.522 1.651 -0.870 828 1HD1 LEU 106 HD11 LEU 106 -7.504 2.661 -1.801 829 2HD1 LEU 106 HD12 LEU 106 -7.413 3.757 -0.421 830 3HD1 LEU 106 HD13 LEU 106 -8.767 3.865 -1.546 831 1HD2 LEU 106 HD21 LEU 106 -8.488 0.483 1.007 832 2HD2 LEU 106 HD22 LEU 106 -7.240 1.726 1.101 833 3HD2 LEU 106 HD23 LEU 106 -7.348 0.689 -0.322 834 H ARG 107 HN ARG 107 -9.949 2.185 4.240 835 HA ARG 107 HA ARG 107 -11.797 4.440 4.667 836 1HB ARG 107 HB2 ARG 107 -12.488 2.482 5.992 837 2HB ARG 107 HB1 ARG 107 -10.886 2.405 6.717 838 1HG ARG 107 HG2 ARG 107 -11.210 4.412 7.902 839 2HG ARG 107 HG1 ARG 107 -12.629 4.837 6.949 840 1HD ARG 107 HD2 ARG 107 -13.392 4.109 9.080 841 2HD ARG 107 HD1 ARG 107 -13.778 2.840 7.921 842 HE ARG 107 HE ARG 107 -11.300 2.227 9.070 843 1HH1 ARG 107 HH11 ARG 107 -14.603 2.641 10.142 844 2HH1 ARG 107 HH12 ARG 107 -14.518 1.403 11.353 845 1HH2 ARG 107 HH21 ARG 107 -11.149 0.616 10.677 846 2HH2 ARG 107 HH22 ARG 107 -12.533 0.253 11.666 847 H GLY 108 HN GLY 108 -10.612 6.200 4.515 848 1HA GLY 108 HA2 GLY 108 -8.037 6.242 5.975 849 2HA GLY 108 HA1 GLY 108 -8.252 7.025 4.416 850 H GLY 109 HN GLY 109 -8.245 7.474 7.706 851 1HA GLY 109 HA2 GLY 109 -10.120 9.699 7.719 852 2HA GLY 109 HA1 GLY 109 -9.194 9.103 9.091 853 H SER 110 HN SER 110 -9.152 11.145 6.265 854 HA SER 110 HA SER 110 -6.818 12.532 7.376 855 1HB SER 110 HB2 SER 110 -7.190 11.779 4.467 856 2HB SER 110 HB1 SER 110 -5.890 12.788 5.103 857 HG SER 110 HG SER 110 -6.092 10.466 6.477 Start of MODEL 8 1 HA MET 1 HA MET 1 -16.034 8.947 10.231 2 1HB MET 1 HB2 MET 1 -16.512 7.266 11.950 3 2HB MET 1 HB1 MET 1 -17.435 8.733 12.221 4 1HG MET 1 HG2 MET 1 -18.599 6.338 10.836 5 2HG MET 1 HG1 MET 1 -18.627 6.529 12.587 6 1HE MET 1 HE1 MET 1 -19.070 9.650 12.954 7 2HE MET 1 HE2 MET 1 -19.964 8.426 13.857 8 3HE MET 1 HE3 MET 1 -20.830 9.728 13.042 9 H SER 2 HN SER 2 -14.735 7.371 9.542 10 HA SER 2 HA SER 2 -13.975 5.448 8.617 11 1HB SER 2 HB2 SER 2 -16.863 4.568 8.449 12 2HB SER 2 HB1 SER 2 -15.449 3.544 8.203 13 HG SER 2 HG SER 2 -16.027 3.225 10.287 14 H GLN 3 HN GLN 3 -17.077 5.983 6.959 15 HA GLN 3 HA GLN 3 -17.614 6.017 4.755 16 1HB GLN 3 HB2 GLN 3 -15.159 7.774 4.737 17 2HB GLN 3 HB1 GLN 3 -16.250 7.608 3.370 18 1HG GLN 3 HG2 GLN 3 -16.954 8.676 6.093 19 2HG GLN 3 HG1 GLN 3 -16.738 9.617 4.616 20 1HE2 GLN 3 HE21 GLN 3 -18.295 9.486 2.986 21 2HE2 GLN 3 HE22 GLN 3 -19.888 8.894 3.301 22 H TRP 4 HN TRP 4 -16.836 3.652 4.977 23 HA TRP 4 HA TRP 4 -14.487 2.811 3.682 24 1HB TRP 4 HB2 TRP 4 -17.138 1.409 4.078 25 2HB TRP 4 HB1 TRP 4 -15.718 0.627 3.396 26 HD1 TRP 4 HD1 TRP 4 -17.162 1.860 6.705 27 HE1 TRP 4 HE1 TRP 4 -15.730 0.929 8.637 28 HE3 TRP 4 HE3 TRP 4 -13.335 -0.127 3.972 29 HZ2 TRP 4 HZ2 TRP 4 -13.299 -0.480 8.945 30 HZ3 TRP 4 HZ3 TRP 4 -11.499 -1.253 5.156 31 HH2 TRP 4 HH2 TRP 4 -11.481 -1.425 7.591 32 H LYS 5 HN LYS 5 -14.156 3.825 1.757 33 HA LYS 5 HA LYS 5 -16.264 3.984 -0.207 34 1HB LYS 5 HB2 LYS 5 -14.720 5.849 0.015 35 2HB LYS 5 HB1 LYS 5 -13.354 4.796 -0.333 36 1HG LYS 5 HG2 LYS 5 -14.171 4.430 -2.582 37 2HG LYS 5 HG1 LYS 5 -15.598 5.410 -2.243 38 1HD LYS 5 HD2 LYS 5 -14.221 7.372 -1.934 39 2HD LYS 5 HD1 LYS 5 -12.755 6.409 -2.140 40 1HE LYS 5 HE2 LYS 5 -13.320 7.631 -4.184 41 2HE LYS 5 HE1 LYS 5 -13.395 5.886 -4.426 42 1HZ LYS 5 HZ1 LYS 5 -15.705 7.717 -4.020 43 2HZ LYS 5 HZ2 LYS 5 -15.822 6.028 -4.137 44 3HZ LYS 5 HZ3 LYS 5 -15.273 6.930 -5.462 45 H ASP 6 HN ASP 6 -16.707 2.497 -1.654 46 HA ASP 6 HA ASP 6 -15.058 0.207 -2.091 47 1HB ASP 6 HB2 ASP 6 -17.437 1.228 -3.666 48 2HB ASP 6 HB1 ASP 6 -16.692 -0.353 -3.870 49 H ILE 7 HN ILE 7 -13.254 0.222 -3.251 50 HA ILE 7 HA ILE 7 -12.759 2.393 -5.132 51 HB ILE 7 HB ILE 7 -10.909 0.135 -4.349 52 1HG1 ILE 7 HG12 ILE 7 -11.542 1.397 -2.359 53 2HG1 ILE 7 HG11 ILE 7 -9.873 1.750 -2.795 54 1HG2 ILE 7 HG21 ILE 7 -10.297 1.243 -6.423 55 2HG2 ILE 7 HG22 ILE 7 -9.141 1.629 -5.148 56 3HG2 ILE 7 HG23 ILE 7 -10.362 2.813 -5.623 57 1HD1 ILE 7 HD11 ILE 7 -11.053 3.750 -2.108 58 2HD1 ILE 7 HD12 ILE 7 -12.254 3.490 -3.373 59 3HD1 ILE 7 HD13 ILE 7 -10.582 3.848 -3.805 60 H CYS 8 HN CYS 8 -11.887 -1.012 -5.308 61 HA CYS 8 HA CYS 8 -13.302 -1.397 -7.803 62 1HB CYS 8 HB2 CYS 8 -10.286 -1.693 -7.615 63 2HB CYS 8 HB1 CYS 8 -11.271 -2.191 -8.987 64 HG CYS 8 HG CYS 8 -12.035 0.895 -8.533 65 H LYS 9 HN LYS 9 -12.329 -3.841 -8.527 66 HA LYS 9 HA LYS 9 -13.021 -5.410 -6.172 67 1HB LYS 9 HB2 LYS 9 -12.738 -6.208 -9.065 68 2HB LYS 9 HB1 LYS 9 -13.162 -7.315 -7.769 69 1HG LYS 9 HG2 LYS 9 -15.102 -5.675 -7.313 70 2HG LYS 9 HG1 LYS 9 -14.767 -5.088 -8.945 71 1HD LYS 9 HD2 LYS 9 -16.456 -6.773 -9.096 72 2HD LYS 9 HD1 LYS 9 -14.956 -7.444 -9.747 73 1HE LYS 9 HE2 LYS 9 -14.596 -8.316 -7.333 74 2HE LYS 9 HE1 LYS 9 -16.327 -8.035 -7.150 75 1HZ LYS 9 HZ1 LYS 9 -16.497 -9.421 -9.293 76 2HZ LYS 9 HZ2 LYS 9 -16.222 -10.216 -7.829 77 3HZ LYS 9 HZ3 LYS 9 -14.932 -9.947 -8.903 78 H ILE 10 HN ILE 10 -11.845 -7.316 -5.617 79 HA ILE 10 HA ILE 10 -9.046 -6.869 -5.442 80 HB ILE 10 HB ILE 10 -10.460 -8.059 -3.732 81 1HG1 ILE 10 HG12 ILE 10 -8.722 -9.718 -3.141 82 2HG1 ILE 10 HG11 ILE 10 -8.013 -9.525 -4.741 83 1HG2 ILE 10 HG21 ILE 10 -10.859 -10.463 -4.033 84 2HG2 ILE 10 HG22 ILE 10 -10.280 -10.340 -5.694 85 3HG2 ILE 10 HG23 ILE 10 -11.745 -9.487 -5.205 86 1HD1 ILE 10 HD11 ILE 10 -8.264 -7.367 -2.659 87 2HD1 ILE 10 HD12 ILE 10 -7.524 -7.194 -4.251 88 3HD1 ILE 10 HD13 ILE 10 -6.797 -8.263 -3.052 89 H ASP 11 HN ASP 11 -11.027 -8.309 -7.782 90 HA ASP 11 HA ASP 11 -9.293 -10.223 -8.917 91 1HB ASP 11 HB2 ASP 11 -11.388 -8.534 -10.307 92 2HB ASP 11 HB1 ASP 11 -10.670 -10.011 -10.938 93 H ASP 12 HN ASP 12 -9.365 -6.788 -8.988 94 HA ASP 12 HA ASP 12 -7.803 -6.577 -11.423 95 1HB ASP 12 HB2 ASP 12 -8.905 -4.496 -9.529 96 2HB ASP 12 HB1 ASP 12 -7.971 -4.110 -10.971 97 H ILE 13 HN ILE 13 -7.174 -7.066 -8.180 98 HA ILE 13 HA ILE 13 -4.467 -5.925 -8.439 99 HB ILE 13 HB ILE 13 -5.854 -6.508 -5.819 100 1HG1 ILE 13 HG12 ILE 13 -5.623 -3.827 -7.209 101 2HG1 ILE 13 HG11 ILE 13 -7.103 -4.776 -7.113 102 1HG2 ILE 13 HG21 ILE 13 -3.415 -6.414 -5.757 103 2HG2 ILE 13 HG22 ILE 13 -4.117 -5.039 -4.904 104 3HG2 ILE 13 HG23 ILE 13 -3.448 -4.824 -6.521 105 1HD1 ILE 13 HD11 ILE 13 -7.085 -2.993 -5.469 106 2HD1 ILE 13 HD12 ILE 13 -5.590 -3.624 -4.780 107 3HD1 ILE 13 HD13 ILE 13 -7.075 -4.572 -4.683 108 H LEU 14 HN LEU 14 -3.005 -7.480 -8.752 109 HA LEU 14 HA LEU 14 -3.702 -10.241 -8.190 110 1HB LEU 14 HB2 LEU 14 -1.277 -9.043 -9.537 111 2HB LEU 14 HB1 LEU 14 -1.632 -10.756 -9.436 112 HG LEU 14 HG LEU 14 -3.289 -8.703 -10.905 113 1HD1 LEU 14 HD11 LEU 14 -1.166 -9.160 -12.007 114 2HD1 LEU 14 HD12 LEU 14 -2.511 -9.853 -12.915 115 3HD1 LEU 14 HD13 LEU 14 -1.486 -10.893 -11.927 116 1HD2 LEU 14 HD21 LEU 14 -4.528 -10.637 -11.755 117 2HD2 LEU 14 HD22 LEU 14 -4.667 -10.495 -10.003 118 3HD2 LEU 14 HD23 LEU 14 -3.586 -11.698 -10.707 119 HA PRO 15 HA PRO 15 -1.194 -10.872 -4.574 120 1HB PRO 15 HB2 PRO 15 0.252 -13.122 -5.290 121 2HB PRO 15 HB1 PRO 15 -1.389 -13.141 -4.636 122 1HG PRO 15 HG2 PRO 15 -0.470 -13.356 -7.463 123 2HG PRO 15 HG1 PRO 15 -1.799 -14.196 -6.647 124 1HD PRO 15 HD2 PRO 15 -2.229 -12.123 -8.311 125 2HD PRO 15 HD1 PRO 15 -3.239 -12.402 -6.878 126 H GLU 16 HN GLU 16 0.427 -9.658 -4.033 127 HA GLU 16 HA GLU 16 2.488 -8.771 -3.821 128 1HB GLU 16 HB2 GLU 16 3.239 -10.636 -6.066 129 2HB GLU 16 HB1 GLU 16 4.372 -9.525 -5.309 130 1HG GLU 16 HG2 GLU 16 3.798 -10.643 -3.115 131 2HG GLU 16 HG1 GLU 16 2.976 -11.878 -4.071 132 H THR 17 HN THR 17 0.369 -7.635 -5.455 133 HA THR 17 HA THR 17 2.107 -5.826 -6.997 134 HB THR 17 HB THR 17 0.385 -5.477 -8.696 135 HG1 THR 17 HG1 THR 17 -1.041 -7.412 -7.177 136 1HG2 THR 17 HG21 THR 17 0.525 -7.638 -9.847 137 2HG2 THR 17 HG22 THR 17 1.071 -8.396 -8.351 138 3HG2 THR 17 HG23 THR 17 2.073 -7.177 -9.139 139 H GLY 18 HN GLY 18 1.178 -3.651 -7.294 140 1HA GLY 18 HA2 GLY 18 -0.840 -2.959 -5.270 141 2HA GLY 18 HA1 GLY 18 0.694 -2.096 -5.305 142 H VAL 19 HN VAL 19 -2.206 -1.329 -5.830 143 HA VAL 19 HA VAL 19 -1.770 -0.127 -8.491 144 HB VAL 19 HB VAL 19 -4.208 -0.109 -8.817 145 1HG1 VAL 19 HG11 VAL 19 -2.908 -1.951 -9.732 146 2HG1 VAL 19 HG12 VAL 19 -4.501 -2.509 -9.221 147 3HG1 VAL 19 HG13 VAL 19 -3.086 -2.846 -8.223 148 1HG2 VAL 19 HG21 VAL 19 -4.299 -1.700 -6.257 149 2HG2 VAL 19 HG22 VAL 19 -5.661 -1.425 -7.343 150 3HG2 VAL 19 HG23 VAL 19 -4.920 -0.067 -6.496 151 H CYS 20 HN CYS 20 -2.867 1.934 -8.843 152 HA CYS 20 HA CYS 20 -2.726 3.603 -6.449 153 1HB CYS 20 HB2 CYS 20 -3.062 4.447 -9.334 154 2HB CYS 20 HB1 CYS 20 -2.654 5.485 -7.973 155 HG CYS 20 HG CYS 20 -0.643 2.993 -9.185 156 H ALA 21 HN ALA 21 -4.561 3.727 -5.335 157 HA ALA 21 HA ALA 21 -7.126 3.839 -6.754 158 1HB ALA 21 HB1 ALA 21 -6.540 3.560 -3.808 159 2HB ALA 21 HB2 ALA 21 -6.932 2.239 -4.911 160 3HB ALA 21 HB3 ALA 21 -8.132 3.484 -4.560 161 H LEU 22 HN LEU 22 -8.521 5.600 -6.527 162 HA LEU 22 HA LEU 22 -7.218 8.016 -5.496 163 1HB LEU 22 HB2 LEU 22 -9.466 7.718 -7.486 164 2HB LEU 22 HB1 LEU 22 -8.837 9.252 -6.914 165 HG LEU 22 HG LEU 22 -7.286 7.194 -8.490 166 1HD1 LEU 22 HD11 LEU 22 -8.977 8.337 -9.823 167 2HD1 LEU 22 HD12 LEU 22 -7.352 8.847 -10.284 168 3HD1 LEU 22 HD13 LEU 22 -8.356 9.897 -9.285 169 1HD2 LEU 22 HD21 LEU 22 -6.493 9.943 -7.532 170 2HD2 LEU 22 HD22 LEU 22 -5.540 8.909 -8.598 171 3HD2 LEU 22 HD23 LEU 22 -5.858 8.410 -6.935 172 H LEU 23 HN LEU 23 -7.765 8.276 -3.447 173 HA LEU 23 HA LEU 23 -10.534 7.929 -2.585 174 1HB LEU 23 HB2 LEU 23 -8.620 7.152 -1.166 175 2HB LEU 23 HB1 LEU 23 -8.108 8.819 -1.005 176 HG LEU 23 HG LEU 23 -10.331 9.303 0.074 177 1HD1 LEU 23 HD11 LEU 23 -11.558 7.380 -0.793 178 2HD1 LEU 23 HD12 LEU 23 -11.585 7.409 0.970 179 3HD1 LEU 23 HD13 LEU 23 -10.513 6.294 0.123 180 1HD2 LEU 23 HD21 LEU 23 -8.524 7.290 1.404 181 2HD2 LEU 23 HD22 LEU 23 -9.689 8.321 2.231 182 3HD2 LEU 23 HD23 LEU 23 -8.314 9.041 1.396 183 H GLY 24 HN GLY 24 -11.710 9.597 -3.442 184 1HA GLY 24 HA2 GLY 24 -12.413 11.775 -3.781 185 2HA GLY 24 HA1 GLY 24 -11.152 12.308 -2.667 186 H ASP 25 HN ASP 25 -9.232 13.039 -3.467 187 HA ASP 25 HA ASP 25 -8.646 12.461 -6.290 188 1HB ASP 25 HB2 ASP 25 -9.347 14.851 -5.971 189 2HB ASP 25 HB1 ASP 25 -7.952 15.064 -4.916 190 H GLU 26 HN GLU 26 -7.781 12.021 -3.162 191 HA GLU 26 HA GLU 26 -4.930 12.352 -3.420 192 1HB GLU 26 HB2 GLU 26 -6.478 10.964 -1.226 193 2HB GLU 26 HB1 GLU 26 -4.810 11.517 -1.151 194 1HG GLU 26 HG2 GLU 26 -7.284 13.222 -1.309 195 2HG GLU 26 HG1 GLU 26 -6.201 13.037 0.067 196 H GLN 27 HN GLN 27 -3.472 10.807 -3.904 197 HA GLN 27 HA GLN 27 -4.544 8.338 -4.972 198 1HB GLN 27 HB2 GLN 27 -2.218 8.034 -5.856 199 2HB GLN 27 HB1 GLN 27 -3.045 9.478 -6.418 200 1HG GLN 27 HG2 GLN 27 -1.809 10.786 -4.711 201 2HG GLN 27 HG1 GLN 27 -0.909 9.324 -4.304 202 1HE2 GLN 27 HE21 GLN 27 -1.426 11.819 -6.662 203 2HE2 GLN 27 HE22 GLN 27 -0.034 11.465 -7.631 204 H VAL 28 HN VAL 28 -4.708 6.622 -3.816 205 HA VAL 28 HA VAL 28 -2.878 6.157 -1.557 206 HB VAL 28 HB VAL 28 -5.595 4.940 -2.114 207 1HG1 VAL 28 HG11 VAL 28 -4.160 3.431 -0.861 208 2HG1 VAL 28 HG12 VAL 28 -5.446 4.064 0.168 209 3HG1 VAL 28 HG13 VAL 28 -3.810 4.709 0.303 210 1HG2 VAL 28 HG21 VAL 28 -6.390 6.297 -0.238 211 2HG2 VAL 28 HG22 VAL 28 -5.774 7.305 -1.549 212 3HG2 VAL 28 HG23 VAL 28 -4.796 7.043 -0.103 213 H ALA 29 HN ALA 29 -1.557 4.406 -1.607 214 HA ALA 29 HA ALA 29 -1.623 2.755 -4.013 215 1HB ALA 29 HB1 ALA 29 0.512 3.761 -3.365 216 2HB ALA 29 HB2 ALA 29 0.591 1.999 -3.320 217 3HB ALA 29 HB3 ALA 29 0.441 2.912 -1.819 218 H ILE 30 HN ILE 30 -2.894 1.028 -3.909 219 HA ILE 30 HA ILE 30 -3.218 -0.371 -1.348 220 HB ILE 30 HB ILE 30 -4.703 -0.805 -3.948 221 1HG1 ILE 30 HG12 ILE 30 -5.579 0.586 -1.405 222 2HG1 ILE 30 HG11 ILE 30 -5.217 1.378 -2.936 223 1HG2 ILE 30 HG21 ILE 30 -4.597 -2.821 -2.584 224 2HG2 ILE 30 HG22 ILE 30 -6.233 -2.165 -2.594 225 3HG2 ILE 30 HG23 ILE 30 -5.197 -1.926 -1.189 226 1HD1 ILE 30 HD11 ILE 30 -7.610 1.158 -2.600 227 2HD1 ILE 30 HD12 ILE 30 -7.441 -0.590 -2.446 228 3HD1 ILE 30 HD13 ILE 30 -7.080 0.197 -3.982 229 H PHE 31 HN PHE 31 -1.712 -1.843 -0.986 230 HA PHE 31 HA PHE 31 -0.691 -3.400 -3.253 231 1HB PHE 31 HB2 PHE 31 0.418 -2.951 -0.480 232 2HB PHE 31 HB1 PHE 31 1.103 -4.097 -1.628 233 HD1 PHE 31 HD1 PHE 31 2.097 -3.278 -3.736 234 HD2 PHE 31 HD2 PHE 31 0.849 -0.634 -0.649 235 HE1 PHE 31 HE1 PHE 31 3.458 -1.486 -4.727 236 HE2 PHE 31 HE2 PHE 31 2.207 1.164 -1.635 237 HZ PHE 31 HZ PHE 31 3.513 0.738 -3.676 238 H ARG 32 HN ARG 32 -1.454 -5.363 -3.544 239 HA ARG 32 HA ARG 32 -2.414 -6.890 -1.220 240 1HB ARG 32 HB2 ARG 32 -3.945 -6.843 -3.138 241 2HB ARG 32 HB1 ARG 32 -2.667 -7.424 -4.195 242 1HG ARG 32 HG2 ARG 32 -2.604 -9.527 -2.881 243 2HG ARG 32 HG1 ARG 32 -3.983 -8.938 -1.950 244 1HD ARG 32 HD2 ARG 32 -5.310 -8.793 -3.994 245 2HD ARG 32 HD1 ARG 32 -3.932 -9.356 -4.937 246 HE ARG 32 HE ARG 32 -4.566 -11.217 -2.897 247 1HH1 ARG 32 HH11 ARG 32 -5.700 -10.050 -6.008 248 2HH1 ARG 32 HH12 ARG 32 -6.482 -11.548 -6.417 249 1HH2 ARG 32 HH21 ARG 32 -5.598 -13.198 -3.466 250 2HH2 ARG 32 HH22 ARG 32 -6.411 -13.321 -5.003 251 HA PRO 33 HA PRO 33 1.673 -8.703 -1.852 252 1HB PRO 33 HB2 PRO 33 2.354 -8.903 0.723 253 2HB PRO 33 HB1 PRO 33 2.334 -7.342 -0.103 254 1HG PRO 33 HG2 PRO 33 0.419 -8.462 1.870 255 2HG PRO 33 HG1 PRO 33 0.873 -6.776 1.572 256 1HD PRO 33 HD2 PRO 33 -1.430 -8.140 0.612 257 2HD PRO 33 HD1 PRO 33 -0.891 -6.505 0.182 258 H TYR 34 HN TYR 34 -1.072 -9.901 -0.136 259 HA TYR 34 HA TYR 34 0.131 -12.563 0.097 260 1HB TYR 34 HB2 TYR 34 -2.287 -11.309 1.392 261 2HB TYR 34 HB1 TYR 34 -1.973 -13.038 1.462 262 HD1 TYR 34 HD1 TYR 34 -1.116 -9.785 2.798 263 HD2 TYR 34 HD2 TYR 34 0.055 -13.870 2.637 264 HE1 TYR 34 HE1 TYR 34 0.320 -9.443 4.766 265 HE2 TYR 34 HE2 TYR 34 1.492 -13.544 4.604 266 HH TYR 34 HH TYR 34 1.287 -10.883 6.611 267 H HIS 35 HN HIS 35 -1.330 -14.405 -0.376 268 HA HIS 35 HA HIS 35 -2.550 -14.078 -2.969 269 1HB HIS 35 HB2 HIS 35 -1.219 -16.104 -2.334 270 2HB HIS 35 HB1 HIS 35 -2.470 -16.521 -1.171 271 HD1 HIS 35 HD1 HIS 35 -1.649 -16.618 -4.788 272 HD2 HIS 35 HD2 HIS 35 -4.879 -17.491 -2.314 273 HE1 HIS 35 HE1 HIS 35 -3.270 -17.903 -6.216 274 HE2 HIS 35 HE2 HIS 35 -5.235 -18.414 -4.708 275 H SER 36 HN SER 36 -3.495 -14.234 0.334 276 HA SER 36 HA SER 36 -6.267 -14.836 -0.184 277 1HB SER 36 HB2 SER 36 -5.015 -13.879 2.396 278 2HB SER 36 HB1 SER 36 -6.526 -14.771 2.200 279 HG SER 36 HG SER 36 -4.957 -16.374 1.104 280 H ASP 37 HN ASP 37 -7.459 -13.161 1.719 281 HA ASP 37 HA ASP 37 -7.963 -10.841 0.085 282 1HB ASP 37 HB2 ASP 37 -9.697 -10.408 1.872 283 2HB ASP 37 HB1 ASP 37 -9.843 -11.966 1.059 284 H GLN 38 HN GLN 38 -5.432 -11.236 1.885 285 HA GLN 38 HA GLN 38 -5.691 -9.004 3.715 286 1HB GLN 38 HB2 GLN 38 -3.374 -10.845 3.118 287 2HB GLN 38 HB1 GLN 38 -3.343 -9.569 4.328 288 1HG GLN 38 HG2 GLN 38 -5.264 -11.885 4.333 289 2HG GLN 38 HG1 GLN 38 -3.767 -11.814 5.261 290 1HE2 GLN 38 HE21 GLN 38 -7.016 -10.611 4.955 291 2HE2 GLN 38 HE22 GLN 38 -7.083 -9.842 6.500 292 H VAL 39 HN VAL 39 -5.707 -7.088 2.756 293 HA VAL 39 HA VAL 39 -3.510 -6.439 0.907 294 HB VAL 39 HB VAL 39 -4.989 -4.760 -0.147 295 1HG1 VAL 39 HG11 VAL 39 -6.079 -7.571 -0.193 296 2HG1 VAL 39 HG12 VAL 39 -4.753 -6.949 -1.176 297 3HG1 VAL 39 HG13 VAL 39 -6.387 -6.330 -1.409 298 1HG2 VAL 39 HG21 VAL 39 -7.153 -6.012 1.544 299 2HG2 VAL 39 HG22 VAL 39 -7.412 -4.847 0.245 300 3HG2 VAL 39 HG23 VAL 39 -6.532 -4.368 1.696 301 H PHE 40 HN PHE 40 -2.676 -4.292 1.050 302 HA PHE 40 HA PHE 40 -3.373 -2.855 3.516 303 1HB PHE 40 HB2 PHE 40 -0.568 -3.489 2.570 304 2HB PHE 40 HB1 PHE 40 -0.969 -2.450 3.934 305 HD1 PHE 40 HD1 PHE 40 -0.540 -5.840 2.780 306 HD2 PHE 40 HD2 PHE 40 -2.029 -3.436 5.958 307 HE1 PHE 40 HE1 PHE 40 -0.531 -7.803 4.264 308 HE2 PHE 40 HE2 PHE 40 -2.022 -5.392 7.448 309 HZ PHE 40 HZ PHE 40 -1.273 -7.580 6.603 310 H ALA 41 HN ALA 41 -3.617 -0.718 3.225 311 HA ALA 41 HA ALA 41 -2.758 0.397 0.641 312 1HB ALA 41 HB1 ALA 41 -5.029 1.291 2.411 313 2HB ALA 41 HB2 ALA 41 -5.184 0.331 0.940 314 3HB ALA 41 HB3 ALA 41 -4.588 1.988 0.854 315 H ILE 42 HN ILE 42 -1.367 2.037 0.622 316 HA ILE 42 HA ILE 42 -1.002 3.663 3.042 317 HB ILE 42 HB ILE 42 1.466 3.623 2.687 318 1HG1 ILE 42 HG12 ILE 42 0.860 1.261 0.891 319 2HG1 ILE 42 HG11 ILE 42 1.426 2.833 0.338 320 1HG2 ILE 42 HG21 ILE 42 1.834 1.439 3.749 321 2HG2 ILE 42 HG22 ILE 42 0.183 0.973 3.335 322 3HG2 ILE 42 HG23 ILE 42 0.469 2.305 4.455 323 1HD1 ILE 42 HD11 ILE 42 3.505 2.518 1.576 324 2HD1 ILE 42 HD12 ILE 42 3.234 1.218 0.416 325 3HD1 ILE 42 HD13 ILE 42 2.934 0.946 2.133 326 H SER 43 HN SER 43 0.891 5.386 2.263 327 HA SER 43 HA SER 43 -0.336 6.958 0.242 328 1HB SER 43 HB2 SER 43 0.903 8.047 2.020 329 2HB SER 43 HB1 SER 43 2.377 7.199 1.563 330 HG SER 43 HG SER 43 2.747 8.738 0.197 331 H ASN 44 HN ASN 44 0.478 7.502 -1.822 332 HA ASN 44 HA ASN 44 1.831 5.240 -3.084 333 1HB ASN 44 HB2 ASN 44 -0.400 6.160 -3.884 334 2HB ASN 44 HB1 ASN 44 0.485 7.572 -4.447 335 1HD2 ASN 44 HD21 ASN 44 -0.066 7.201 -6.563 336 2HD2 ASN 44 HD22 ASN 44 0.603 5.907 -7.493 337 H ILE 45 HN ILE 45 2.536 8.324 -1.975 338 HA ILE 45 HA ILE 45 4.931 8.545 -3.718 339 HB ILE 45 HB ILE 45 3.374 10.758 -2.327 340 1HG1 ILE 45 HG12 ILE 45 2.237 9.897 -4.322 341 2HG1 ILE 45 HG11 ILE 45 2.830 11.533 -4.584 342 1HG2 ILE 45 HG21 ILE 45 4.896 12.304 -3.477 343 2HG2 ILE 45 HG22 ILE 45 5.833 10.927 -4.059 344 3HG2 ILE 45 HG23 ILE 45 5.739 11.262 -2.330 345 1HD1 ILE 45 HD11 ILE 45 3.182 10.136 -6.536 346 2HD1 ILE 45 HD12 ILE 45 4.130 9.004 -5.572 347 3HD1 ILE 45 HD13 ILE 45 4.721 10.645 -5.842 348 H ASP 46 HN ASP 46 6.911 8.864 -2.605 349 HA ASP 46 HA ASP 46 7.029 8.028 0.129 350 1HB ASP 46 HB2 ASP 46 9.291 9.289 -1.419 351 2HB ASP 46 HB1 ASP 46 9.404 8.182 -0.062 352 HA PRO 47 HA PRO 47 6.917 11.960 2.141 353 1HB PRO 47 HB2 PRO 47 8.490 10.993 4.357 354 2HB PRO 47 HB1 PRO 47 6.744 11.234 4.264 355 1HG PRO 47 HG2 PRO 47 7.938 8.774 4.446 356 2HG PRO 47 HG1 PRO 47 6.349 9.050 3.713 357 1HD PRO 47 HD2 PRO 47 9.012 8.693 2.390 358 2HD PRO 47 HD1 PRO 47 7.422 8.052 1.918 359 H PHE 48 HN PHE 48 10.043 10.803 3.398 360 HA PHE 48 HA PHE 48 11.174 13.420 2.892 361 1HB PHE 48 HB2 PHE 48 12.243 10.938 4.229 362 2HB PHE 48 HB1 PHE 48 13.259 12.339 3.921 363 HD1 PHE 48 HD1 PHE 48 11.871 10.801 6.484 364 HD2 PHE 48 HD2 PHE 48 11.582 14.589 4.570 365 HE1 PHE 48 HE1 PHE 48 11.130 11.808 8.600 366 HE2 PHE 48 HE2 PHE 48 10.840 15.605 6.685 367 HZ PHE 48 HZ PHE 48 10.616 14.215 8.705 368 H PHE 49 HN PHE 49 11.557 10.135 1.744 369 HA PHE 49 HA PHE 49 13.789 10.586 0.071 370 1HB PHE 49 HB2 PHE 49 12.684 8.362 0.880 371 2HB PHE 49 HB1 PHE 49 11.647 8.558 -0.529 372 HD1 PHE 49 HD1 PHE 49 15.051 7.921 0.639 373 HD2 PHE 49 HD2 PHE 49 12.506 8.241 -2.758 374 HE1 PHE 49 HE1 PHE 49 16.776 6.858 -0.746 375 HE2 PHE 49 HE2 PHE 49 14.232 7.172 -4.149 376 HZ PHE 49 HZ PHE 49 16.370 6.481 -3.138 377 H GLU 50 HN GLU 50 10.375 10.999 -0.257 378 HA GLU 50 HA GLU 50 9.000 11.778 -1.877 379 1HB GLU 50 HB2 GLU 50 10.111 13.817 -0.987 380 2HB GLU 50 HB1 GLU 50 11.262 13.726 -2.315 381 1HG GLU 50 HG2 GLU 50 9.400 13.936 -3.911 382 2HG GLU 50 HG1 GLU 50 8.285 14.100 -2.558 383 H SER 51 HN SER 51 9.358 9.791 -3.141 384 HA SER 51 HA SER 51 10.408 10.554 -5.769 385 1HB SER 51 HB2 SER 51 11.508 8.563 -4.450 386 2HB SER 51 HB1 SER 51 10.077 7.677 -4.980 387 HG SER 51 HG SER 51 11.312 9.154 -6.953 388 H SER 52 HN SER 52 9.125 8.402 -7.145 389 HA SER 52 HA SER 52 6.516 9.669 -7.231 390 1HB SER 52 HB2 SER 52 8.001 9.293 -9.277 391 2HB SER 52 HB1 SER 52 7.589 7.585 -9.140 392 HG SER 52 HG SER 52 5.718 9.708 -9.422 393 H VAL 53 HN VAL 53 5.352 7.351 -8.576 394 HA VAL 53 HA VAL 53 3.900 6.479 -6.336 395 HB VAL 53 HB VAL 53 2.567 5.188 -7.896 396 1HG1 VAL 53 HG11 VAL 53 1.908 6.975 -9.430 397 2HG1 VAL 53 HG12 VAL 53 3.405 7.835 -9.073 398 3HG1 VAL 53 HG13 VAL 53 2.202 7.595 -7.806 399 1HG2 VAL 53 HG21 VAL 53 3.149 5.039 -10.276 400 2HG2 VAL 53 HG22 VAL 53 4.339 4.221 -9.263 401 3HG2 VAL 53 HG23 VAL 53 4.700 5.809 -9.941 402 H LEU 54 HN LEU 54 3.955 4.707 -5.157 403 HA LEU 54 HA LEU 54 6.201 2.921 -5.376 404 1HB LEU 54 HB2 LEU 54 3.845 2.680 -3.508 405 2HB LEU 54 HB1 LEU 54 5.444 1.994 -3.299 406 HG LEU 54 HG LEU 54 4.710 4.917 -3.142 407 1HD1 LEU 54 HD11 LEU 54 5.703 2.989 -1.050 408 2HD1 LEU 54 HD12 LEU 54 4.056 3.605 -1.193 409 3HD1 LEU 54 HD13 LEU 54 5.379 4.706 -0.811 410 1HD2 LEU 54 HD21 LEU 54 7.401 3.594 -2.857 411 2HD2 LEU 54 HD22 LEU 54 7.047 5.289 -2.523 412 3HD2 LEU 54 HD23 LEU 54 6.898 4.663 -4.166 413 H SER 55 HN SER 55 3.115 3.036 -6.646 414 HA SER 55 HA SER 55 2.257 0.385 -6.683 415 1HB SER 55 HB2 SER 55 0.777 2.181 -7.316 416 2HB SER 55 HB1 SER 55 1.828 2.643 -8.653 417 HG SER 55 HG SER 55 0.696 0.056 -8.527 418 H ARG 56 HN ARG 56 4.735 1.978 -8.535 419 HA ARG 56 HA ARG 56 4.904 -0.212 -10.451 420 1HB ARG 56 HB2 ARG 56 5.217 2.377 -10.893 421 2HB ARG 56 HB1 ARG 56 6.864 2.049 -10.371 422 1HG ARG 56 HG2 ARG 56 7.075 0.349 -12.123 423 2HG ARG 56 HG1 ARG 56 5.430 0.703 -12.653 424 1HD ARG 56 HD2 ARG 56 6.240 3.115 -12.932 425 2HD ARG 56 HD1 ARG 56 7.868 2.452 -12.799 426 HE ARG 56 HE ARG 56 6.109 1.249 -14.794 427 1HH1 ARG 56 HH11 ARG 56 8.786 3.405 -14.103 428 2HH1 ARG 56 HH12 ARG 56 9.280 3.534 -15.764 429 1HH2 ARG 56 HH21 ARG 56 6.750 1.438 -16.992 430 2HH2 ARG 56 HH22 ARG 56 8.119 2.432 -17.395 431 H GLY 57 HN GLY 57 5.390 -1.013 -7.841 432 1HA GLY 57 HA2 GLY 57 8.286 -1.536 -7.886 433 2HA GLY 57 HA1 GLY 57 7.514 -0.972 -6.412 434 H LEU 58 HN LEU 58 8.912 -3.290 -6.368 435 HA LEU 58 HA LEU 58 6.945 -5.446 -6.652 436 1HB LEU 58 HB2 LEU 58 8.777 -7.002 -6.644 437 2HB LEU 58 HB1 LEU 58 9.085 -5.758 -7.837 438 HG LEU 58 HG LEU 58 10.321 -5.660 -5.090 439 1HD1 LEU 58 HD11 LEU 58 12.307 -6.701 -6.050 440 2HD1 LEU 58 HD12 LEU 58 11.449 -6.953 -7.569 441 3HD1 LEU 58 HD13 LEU 58 10.924 -7.793 -6.111 442 1HD2 LEU 58 HD21 LEU 58 10.375 -3.588 -6.380 443 2HD2 LEU 58 HD22 LEU 58 11.104 -4.442 -7.741 444 3HD2 LEU 58 HD23 LEU 58 11.993 -4.275 -6.226 445 H ILE 59 HN ILE 59 6.996 -7.147 -4.989 446 HA ILE 59 HA ILE 59 7.400 -5.971 -2.317 447 HB ILE 59 HB ILE 59 5.353 -8.029 -3.185 448 1HG1 ILE 59 HG12 ILE 59 5.005 -5.159 -2.285 449 2HG1 ILE 59 HG11 ILE 59 4.877 -5.725 -3.946 450 1HG2 ILE 59 HG21 ILE 59 4.453 -7.814 -0.909 451 2HG2 ILE 59 HG22 ILE 59 5.807 -6.768 -0.482 452 3HG2 ILE 59 HG23 ILE 59 6.097 -8.454 -0.913 453 1HD1 ILE 59 HD11 ILE 59 3.086 -6.544 -1.672 454 2HD1 ILE 59 HD12 ILE 59 2.949 -7.078 -3.347 455 3HD1 ILE 59 HD13 ILE 59 2.692 -5.382 -2.938 456 H ALA 60 HN ALA 60 8.621 -7.088 -0.882 457 HA ALA 60 HA ALA 60 9.458 -9.819 -1.576 458 1HB ALA 60 HB1 ALA 60 11.349 -7.604 -0.786 459 2HB ALA 60 HB2 ALA 60 11.196 -8.299 -2.399 460 3HB ALA 60 HB3 ALA 60 11.784 -9.290 -1.064 461 H GLU 61 HN GLU 61 10.184 -11.067 0.228 462 HA GLU 61 HA GLU 61 8.917 -10.152 2.697 463 1HB GLU 61 HB2 GLU 61 8.170 -12.300 1.888 464 2HB GLU 61 HB1 GLU 61 9.823 -12.892 1.814 465 1HG GLU 61 HG2 GLU 61 10.007 -12.787 4.218 466 2HG GLU 61 HG1 GLU 61 8.396 -12.085 4.336 467 H HIS 62 HN HIS 62 10.008 -9.563 4.416 468 HA HIS 62 HA HIS 62 12.873 -9.803 4.602 469 1HB HIS 62 HB2 HIS 62 11.793 -7.852 5.561 470 2HB HIS 62 HB1 HIS 62 10.765 -8.862 6.565 471 HD1 HIS 62 HD1 HIS 62 11.467 -8.328 8.886 472 HD2 HIS 62 HD2 HIS 62 14.725 -8.952 6.358 473 HE1 HIS 62 HE1 HIS 62 13.509 -8.256 10.361 474 HE2 HIS 62 HE2 HIS 62 15.471 -8.496 8.798 475 H GLN 63 HN GLN 63 10.225 -10.927 6.662 476 HA GLN 63 HA GLN 63 10.746 -13.641 6.531 477 1HB GLN 63 HB2 GLN 63 12.549 -12.305 8.326 478 2HB GLN 63 HB1 GLN 63 11.457 -13.324 9.260 479 1HG GLN 63 HG2 GLN 63 12.040 -15.224 7.796 480 2HG GLN 63 HG1 GLN 63 13.203 -14.191 6.968 481 1HE2 GLN 63 HE21 GLN 63 13.594 -16.655 8.468 482 2HE2 GLN 63 HE22 GLN 63 14.719 -16.274 9.732 483 H GLY 64 HN GLY 64 8.540 -13.778 6.455 484 1HA GLY 64 HA2 GLY 64 6.414 -13.972 7.354 485 2HA GLY 64 HA1 GLY 64 7.069 -13.493 8.917 486 H GLU 65 HN GLU 65 8.108 -11.345 6.673 487 HA GLU 65 HA GLU 65 5.837 -9.513 7.037 488 1HB GLU 65 HB2 GLU 65 8.739 -8.690 7.134 489 2HB GLU 65 HB1 GLU 65 7.338 -7.678 7.434 490 1HG GLU 65 HG2 GLU 65 6.875 -8.867 9.482 491 2HG GLU 65 HG1 GLU 65 8.216 -9.974 9.166 492 H LEU 66 HN LEU 66 5.144 -8.798 5.113 493 HA LEU 66 HA LEU 66 6.933 -9.039 2.827 494 1HB LEU 66 HB2 LEU 66 3.974 -8.447 2.949 495 2HB LEU 66 HB1 LEU 66 4.905 -8.673 1.477 496 HG LEU 66 HG LEU 66 4.479 -10.773 3.610 497 1HD1 LEU 66 HD11 LEU 66 3.329 -10.590 0.834 498 2HD1 LEU 66 HD12 LEU 66 2.445 -10.274 2.327 499 3HD1 LEU 66 HD13 LEU 66 3.070 -11.889 1.995 500 1HD2 LEU 66 HD21 LEU 66 5.519 -12.299 2.017 501 2HD2 LEU 66 HD22 LEU 66 6.628 -11.009 2.482 502 3HD2 LEU 66 HD23 LEU 66 5.817 -10.954 0.916 503 H TRP 67 HN TRP 67 8.126 -7.387 2.341 504 HA TRP 67 HA TRP 67 7.266 -4.666 3.046 505 1HB TRP 67 HB2 TRP 67 9.986 -5.840 2.421 506 2HB TRP 67 HB1 TRP 67 9.700 -4.117 2.599 507 HD1 TRP 67 HD1 TRP 67 8.914 -7.224 4.835 508 HE1 TRP 67 HE1 TRP 67 9.620 -6.638 7.248 509 HE3 TRP 67 HE3 TRP 67 10.613 -2.468 4.049 510 HZ2 TRP 67 HZ2 TRP 67 10.748 -4.449 8.623 511 HZ3 TRP 67 HZ3 TRP 67 11.489 -1.196 5.962 512 HH2 TRP 67 HH2 TRP 67 11.556 -2.167 8.204 513 H VAL 68 HN VAL 68 7.313 -3.026 1.471 514 HA VAL 68 HA VAL 68 7.389 -4.007 -1.292 515 HB VAL 68 HB VAL 68 5.359 -2.760 -0.618 516 1HG1 VAL 68 HG11 VAL 68 5.466 -0.340 -0.272 517 2HG1 VAL 68 HG12 VAL 68 7.228 -0.421 -0.296 518 3HG1 VAL 68 HG13 VAL 68 6.324 -1.226 0.987 519 1HG2 VAL 68 HG21 VAL 68 5.298 -1.230 -2.537 520 2HG2 VAL 68 HG22 VAL 68 6.012 -2.788 -2.950 521 3HG2 VAL 68 HG23 VAL 68 7.048 -1.382 -2.701 522 H ALA 69 HN ALA 69 8.827 -3.261 -2.761 523 HA ALA 69 HA ALA 69 10.859 -1.373 -1.771 524 1HB ALA 69 HB1 ALA 69 11.711 -3.680 -1.828 525 2HB ALA 69 HB2 ALA 69 12.560 -2.618 -2.954 526 3HB ALA 69 HB3 ALA 69 11.347 -3.755 -3.552 527 H SER 70 HN SER 70 10.675 0.445 -2.863 528 HA SER 70 HA SER 70 9.666 0.555 -5.542 529 1HB SER 70 HB2 SER 70 11.087 2.744 -4.016 530 2HB SER 70 HB1 SER 70 9.936 2.925 -5.342 531 HG SER 70 HG SER 70 8.974 3.297 -3.286 532 HA PRO 71 HA PRO 71 13.737 -0.420 -7.133 533 1HB PRO 71 HB2 PRO 71 13.029 -0.733 -9.706 534 2HB PRO 71 HB1 PRO 71 12.590 -1.920 -8.471 535 1HG PRO 71 HG2 PRO 71 10.928 0.251 -9.689 536 2HG PRO 71 HG1 PRO 71 10.483 -1.423 -9.312 537 1HD PRO 71 HD2 PRO 71 9.851 0.718 -7.727 538 2HD PRO 71 HD1 PRO 71 10.039 -0.939 -7.121 539 H LEU 72 HN LEU 72 12.598 2.407 -6.909 540 HA LEU 72 HA LEU 72 13.563 3.746 -9.269 541 1HB LEU 72 HB2 LEU 72 12.661 4.871 -6.612 542 2HB LEU 72 HB1 LEU 72 12.909 5.787 -8.088 543 HG LEU 72 HG LEU 72 10.849 3.600 -7.772 544 1HD1 LEU 72 HD11 LEU 72 9.195 5.387 -7.720 545 2HD1 LEU 72 HD12 LEU 72 10.485 6.590 -7.722 546 3HD1 LEU 72 HD13 LEU 72 10.299 5.497 -6.350 547 1HD2 LEU 72 HD21 LEU 72 9.953 4.478 -9.865 548 2HD2 LEU 72 HD22 LEU 72 11.609 3.903 -10.062 549 3HD2 LEU 72 HD23 LEU 72 11.282 5.633 -9.951 550 H LYS 73 HN LYS 73 14.434 3.995 -5.804 551 HA LYS 73 HA LYS 73 17.236 3.853 -6.639 552 1HB LYS 73 HB2 LYS 73 16.040 5.919 -4.812 553 2HB LYS 73 HB1 LYS 73 17.730 5.455 -4.669 554 1HG LYS 73 HG2 LYS 73 17.834 5.983 -7.202 555 2HG LYS 73 HG1 LYS 73 16.340 6.871 -6.900 556 1HD LYS 73 HD2 LYS 73 18.858 7.304 -5.303 557 2HD LYS 73 HD1 LYS 73 18.480 8.215 -6.764 558 1HE LYS 73 HE2 LYS 73 16.667 8.072 -4.366 559 2HE LYS 73 HE1 LYS 73 17.867 9.342 -4.609 560 1HZ LYS 73 HZ1 LYS 73 15.543 8.736 -6.361 561 2HZ LYS 73 HZ2 LYS 73 16.743 9.882 -6.717 562 3HZ LYS 73 HZ3 LYS 73 15.740 10.100 -5.368 563 H LYS 74 HN LYS 74 15.661 4.264 -3.464 564 HA LYS 74 HA LYS 74 15.834 1.566 -2.707 565 1HB LYS 74 HB2 LYS 74 17.718 1.702 -1.082 566 2HB LYS 74 HB1 LYS 74 18.232 1.807 -2.758 567 1HG LYS 74 HG2 LYS 74 18.506 4.216 -2.547 568 2HG LYS 74 HG1 LYS 74 17.938 4.146 -0.877 569 1HD LYS 74 HD2 LYS 74 20.402 2.784 -1.963 570 2HD LYS 74 HD1 LYS 74 20.383 4.259 -0.996 571 1HE LYS 74 HE2 LYS 74 19.270 1.620 -0.058 572 2HE LYS 74 HE1 LYS 74 20.915 2.157 0.267 573 1HZ LYS 74 HZ1 LYS 74 18.407 3.488 1.174 574 2HZ LYS 74 HZ2 LYS 74 19.964 4.116 1.393 575 3HZ LYS 74 HZ3 LYS 74 19.531 2.659 2.138 576 H GLN 75 HN GLN 75 13.852 1.953 -1.812 577 HA GLN 75 HA GLN 75 14.069 2.876 0.911 578 1HB GLN 75 HB2 GLN 75 12.127 4.296 0.900 579 2HB GLN 75 HB1 GLN 75 13.268 4.890 -0.291 580 1HG GLN 75 HG2 GLN 75 11.105 3.073 -1.198 581 2HG GLN 75 HG1 GLN 75 10.687 4.726 -0.766 582 1HE2 GLN 75 HE21 GLN 75 10.177 5.456 -2.734 583 2HE2 GLN 75 HE22 GLN 75 11.305 5.589 -4.046 584 H ARG 76 HN ARG 76 12.490 1.948 2.289 585 HA ARG 76 HA ARG 76 11.103 -0.347 1.086 586 1HB ARG 76 HB2 ARG 76 13.521 -0.480 2.534 587 2HB ARG 76 HB1 ARG 76 12.270 -1.066 3.621 588 1HG ARG 76 HG2 ARG 76 13.270 -2.895 2.393 589 2HG ARG 76 HG1 ARG 76 11.575 -2.698 1.942 590 1HD ARG 76 HD2 ARG 76 13.011 -3.112 -0.006 591 2HD ARG 76 HD1 ARG 76 12.212 -1.543 -0.083 592 HE ARG 76 HE ARG 76 14.574 -0.889 0.996 593 1HH1 ARG 76 HH11 ARG 76 13.780 -2.891 -1.754 594 2HH1 ARG 76 HH12 ARG 76 15.217 -2.491 -2.643 595 1HH2 ARG 76 HH21 ARG 76 16.475 -0.347 -0.145 596 2HH2 ARG 76 HH22 ARG 76 16.767 -1.058 -1.709 597 H PHE 77 HN PHE 77 9.074 -0.419 1.738 598 HA PHE 77 HA PHE 77 8.389 0.706 4.378 599 1HB PHE 77 HB2 PHE 77 6.673 0.437 1.896 600 2HB PHE 77 HB1 PHE 77 6.074 0.963 3.462 601 HD1 PHE 77 HD1 PHE 77 8.423 1.847 0.733 602 HD2 PHE 77 HD2 PHE 77 6.208 3.202 4.107 603 HE1 PHE 77 HE1 PHE 77 8.959 4.174 0.147 604 HE2 PHE 77 HE2 PHE 77 6.751 5.531 3.531 605 HZ PHE 77 HZ PHE 77 8.125 6.020 1.548 606 H ARG 78 HN ARG 78 7.606 -0.669 5.870 607 HA ARG 78 HA ARG 78 7.204 -3.443 5.157 608 1HB ARG 78 HB2 ARG 78 8.288 -2.777 7.305 609 2HB ARG 78 HB1 ARG 78 6.757 -2.089 7.829 610 1HG ARG 78 HG2 ARG 78 5.712 -4.229 7.850 611 2HG ARG 78 HG1 ARG 78 7.096 -4.976 7.056 612 1HD ARG 78 HD2 ARG 78 7.199 -5.550 9.359 613 2HD ARG 78 HD1 ARG 78 8.467 -4.367 9.055 614 HE ARG 78 HE ARG 78 6.529 -2.779 9.938 615 1HH1 ARG 78 HH11 ARG 78 7.679 -5.861 11.161 616 2HH1 ARG 78 HH12 ARG 78 7.224 -5.513 12.807 617 1HH2 ARG 78 HH21 ARG 78 5.947 -2.326 12.094 618 2HH2 ARG 78 HH22 ARG 78 6.236 -3.512 13.340 619 H LEU 79 HN LEU 79 5.391 -3.844 4.053 620 HA LEU 79 HA LEU 79 3.117 -2.245 3.998 621 1HB LEU 79 HB2 LEU 79 3.430 -5.156 3.300 622 2HB LEU 79 HB1 LEU 79 2.017 -4.195 2.907 623 HG LEU 79 HG LEU 79 4.812 -3.650 1.905 624 1HD1 LEU 79 HD11 LEU 79 3.972 -4.429 -0.247 625 2HD1 LEU 79 HD12 LEU 79 2.425 -4.832 0.497 626 3HD1 LEU 79 HD13 LEU 79 3.884 -5.703 0.970 627 1HD2 LEU 79 HD21 LEU 79 3.702 -2.057 0.416 628 2HD2 LEU 79 HD22 LEU 79 3.458 -1.633 2.111 629 3HD2 LEU 79 HD23 LEU 79 2.159 -2.401 1.198 630 H SER 80 HN SER 80 3.985 -4.704 6.254 631 HA SER 80 HA SER 80 1.453 -5.468 7.167 632 1HB SER 80 HB2 SER 80 3.542 -6.659 7.742 633 2HB SER 80 HB1 SER 80 4.026 -5.298 8.754 634 HG SER 80 HG SER 80 1.711 -5.820 9.657 635 H ASP 81 HN ASP 81 3.117 -2.486 7.527 636 HA ASP 81 HA ASP 81 0.912 -1.535 9.185 637 1HB ASP 81 HB2 ASP 81 2.722 -2.048 10.776 638 2HB ASP 81 HB1 ASP 81 3.798 -0.972 9.889 639 H GLY 82 HN GLY 82 3.704 -0.759 7.169 640 1HA GLY 82 HA2 GLY 82 3.308 0.787 5.319 641 2HA GLY 82 HA1 GLY 82 2.323 1.742 6.419 642 H LEU 83 HN LEU 83 4.823 0.710 8.223 643 HA LEU 83 HA LEU 83 6.068 3.285 8.199 644 1HB LEU 83 HB2 LEU 83 5.759 2.136 10.294 645 2HB LEU 83 HB1 LEU 83 6.666 0.751 9.723 646 HG LEU 83 HG LEU 83 8.154 3.304 9.745 647 1HD1 LEU 83 HD11 LEU 83 8.548 3.211 12.154 648 2HD1 LEU 83 HD12 LEU 83 7.362 1.916 12.306 649 3HD1 LEU 83 HD13 LEU 83 6.848 3.526 11.801 650 1HD2 LEU 83 HD21 LEU 83 8.754 0.514 10.732 651 2HD2 LEU 83 HD22 LEU 83 9.908 1.844 10.621 652 3HD2 LEU 83 HD23 LEU 83 9.195 1.171 9.155 653 H CYS 84 HN CYS 84 8.008 3.873 7.444 654 HA CYS 84 HA CYS 84 9.382 2.031 5.631 655 1HB CYS 84 HB2 CYS 84 8.656 4.199 4.702 656 2HB CYS 84 HB1 CYS 84 9.584 5.045 5.937 657 HG CYS 84 HG CYS 84 10.971 5.297 3.527 658 H MET 85 HN MET 85 11.715 1.904 5.718 659 HA MET 85 HA MET 85 12.676 1.976 8.442 660 1HB MET 85 HB2 MET 85 13.248 0.071 7.050 661 2HB MET 85 HB1 MET 85 14.037 1.123 5.882 662 1HG MET 85 HG2 MET 85 15.740 1.698 7.490 663 2HG MET 85 HG1 MET 85 14.915 0.770 8.740 664 1HE MET 85 HE1 MET 85 13.993 -1.843 7.291 665 2HE MET 85 HE2 MET 85 14.820 -1.835 8.849 666 3HE MET 85 HE3 MET 85 15.380 -2.899 7.559 667 H GLU 86 HN GLU 86 13.351 3.698 5.427 668 HA GLU 86 HA GLU 86 15.436 5.246 6.749 669 1HB GLU 86 HB2 GLU 86 14.530 5.235 3.862 670 2HB GLU 86 HB1 GLU 86 15.905 6.136 4.494 671 1HG GLU 86 HG2 GLU 86 16.919 3.985 5.209 672 2HG GLU 86 HG1 GLU 86 15.586 3.143 4.427 673 H ASP 87 HN ASP 87 12.181 5.568 5.609 674 HA ASP 87 HA ASP 87 12.135 8.431 6.213 675 1HB ASP 87 HB2 ASP 87 9.961 6.633 5.106 676 2HB ASP 87 HB1 ASP 87 9.805 8.366 5.364 677 H GLU 88 HN GLU 88 12.344 6.034 8.070 678 HA GLU 88 HA GLU 88 10.234 5.036 9.302 679 1HB GLU 88 HB2 GLU 88 12.529 4.534 9.894 680 2HB GLU 88 HB1 GLU 88 12.698 6.101 10.671 681 1HG GLU 88 HG2 GLU 88 10.924 5.411 12.279 682 2HG GLU 88 HG1 GLU 88 10.981 3.801 11.555 683 H GLN 89 HN GLN 89 11.656 8.047 10.633 684 HA GLN 89 HA GLN 89 9.755 8.264 12.681 685 1HB GLN 89 HB2 GLN 89 10.632 10.560 12.984 686 2HB GLN 89 HB1 GLN 89 11.886 9.333 12.890 687 1HG GLN 89 HG2 GLN 89 12.253 9.940 10.527 688 2HG GLN 89 HG1 GLN 89 11.065 11.230 10.704 689 1HE2 GLN 89 HE21 GLN 89 13.289 10.293 13.219 690 2HE2 GLN 89 HE22 GLN 89 14.238 11.744 13.189 691 H PHE 90 HN PHE 90 9.634 9.368 9.389 692 HA PHE 90 HA PHE 90 6.944 10.396 9.923 693 1HB PHE 90 HB2 PHE 90 8.524 12.321 9.711 694 2HB PHE 90 HB1 PHE 90 8.932 11.765 8.093 695 HD1 PHE 90 HD1 PHE 90 5.956 12.714 10.133 696 HD2 PHE 90 HD2 PHE 90 7.814 12.681 6.303 697 HE1 PHE 90 HE1 PHE 90 4.100 14.050 9.223 698 HE2 PHE 90 HE2 PHE 90 5.960 14.013 5.385 699 HZ PHE 90 HZ PHE 90 4.101 14.700 6.847 700 H SER 91 HN SER 91 6.774 8.076 9.225 701 HA SER 91 HA SER 91 7.132 7.527 6.438 702 1HB SER 91 HB2 SER 91 5.664 5.453 7.322 703 2HB SER 91 HB1 SER 91 7.403 5.578 7.575 704 HG SER 91 HG SER 91 7.088 6.172 9.649 705 H VAL 92 HN VAL 92 4.835 6.063 5.843 706 HA VAL 92 HA VAL 92 3.164 8.331 5.104 707 HB VAL 92 HB VAL 92 2.232 6.862 3.389 708 1HG1 VAL 92 HG11 VAL 92 5.247 6.807 3.502 709 2HG1 VAL 92 HG12 VAL 92 4.249 8.119 2.875 710 3HG1 VAL 92 HG13 VAL 92 4.273 6.559 2.053 711 1HG2 VAL 92 HG21 VAL 92 3.135 4.609 3.034 712 2HG2 VAL 92 HG22 VAL 92 2.315 4.739 4.590 713 3HG2 VAL 92 HG23 VAL 92 4.077 4.755 4.517 714 H LYS 93 HN LYS 93 0.819 8.036 4.963 715 HA LYS 93 HA LYS 93 -0.277 7.021 7.402 716 1HB LYS 93 HB2 LYS 93 -1.356 8.952 6.721 717 2HB LYS 93 HB1 LYS 93 -1.317 8.506 5.026 718 1HG LYS 93 HG2 LYS 93 -3.587 8.533 5.860 719 2HG LYS 93 HG1 LYS 93 -3.119 6.902 5.394 720 1HD LYS 93 HD2 LYS 93 -2.767 6.321 7.737 721 2HD LYS 93 HD1 LYS 93 -3.181 7.968 8.220 722 1HE LYS 93 HE2 LYS 93 -5.428 7.713 7.513 723 2HE LYS 93 HE1 LYS 93 -5.063 6.226 6.644 724 1HZ LYS 93 HZ1 LYS 93 -4.957 6.543 9.598 725 2HZ LYS 93 HZ2 LYS 93 -4.687 5.109 8.733 726 3HZ LYS 93 HZ3 LYS 93 -6.225 5.816 8.736 727 H HIS 94 HN HIS 94 -0.868 5.025 7.765 728 HA HIS 94 HA HIS 94 -1.369 3.162 5.600 729 1HB HIS 94 HB2 HIS 94 -0.140 2.307 7.488 730 2HB HIS 94 HB1 HIS 94 -1.367 2.874 8.611 731 HD1 HIS 94 HD1 HIS 94 -2.234 0.770 9.608 732 HD2 HIS 94 HD2 HIS 94 -1.958 0.535 5.463 733 HE1 HIS 94 HE1 HIS 94 -3.316 -1.414 8.977 734 HE2 HIS 94 HE2 HIS 94 -3.327 -1.420 6.461 735 H TYR 95 HN TYR 95 -3.304 2.945 4.715 736 HA TYR 95 HA TYR 95 -5.635 4.019 6.098 737 1HB TYR 95 HB2 TYR 95 -5.352 2.961 3.274 738 2HB TYR 95 HB1 TYR 95 -6.791 3.721 3.940 739 HD1 TYR 95 HD1 TYR 95 -3.308 4.314 2.871 740 HD2 TYR 95 HD2 TYR 95 -6.975 6.092 4.096 741 HE1 TYR 95 HE1 TYR 95 -2.480 6.511 2.135 742 HE2 TYR 95 HE2 TYR 95 -6.159 8.293 3.365 743 HH TYR 95 HH TYR 95 -3.446 8.697 1.415 744 H GLU 96 HN GLU 96 -7.370 2.819 6.674 745 HA GLU 96 HA GLU 96 -6.883 0.026 7.134 746 1HB GLU 96 HB2 GLU 96 -9.359 1.662 7.724 747 2HB GLU 96 HB1 GLU 96 -8.969 0.082 8.389 748 1HG GLU 96 HG2 GLU 96 -8.389 1.464 10.123 749 2HG GLU 96 HG1 GLU 96 -6.846 1.285 9.294 750 H ALA 97 HN ALA 97 -7.165 -1.366 5.524 751 HA ALA 97 HA ALA 97 -9.369 -0.892 3.627 752 1HB ALA 97 HB1 ALA 97 -7.156 -0.642 2.614 753 2HB ALA 97 HB2 ALA 97 -8.028 -2.016 1.937 754 3HB ALA 97 HB3 ALA 97 -6.743 -2.283 3.114 755 H ARG 98 HN ARG 98 -10.524 -2.684 2.839 756 HA ARG 98 HA ARG 98 -9.935 -5.316 3.913 757 1HB ARG 98 HB2 ARG 98 -12.081 -5.703 4.893 758 2HB ARG 98 HB1 ARG 98 -11.441 -4.228 5.602 759 1HG ARG 98 HG2 ARG 98 -12.875 -2.886 4.187 760 2HG ARG 98 HG1 ARG 98 -13.460 -4.336 3.367 761 1HD ARG 98 HD2 ARG 98 -14.367 -5.152 5.504 762 2HD ARG 98 HD1 ARG 98 -13.820 -3.668 6.287 763 HE ARG 98 HE ARG 98 -15.610 -3.331 4.017 764 1HH1 ARG 98 HH11 ARG 98 -15.271 -3.551 7.502 765 2HH1 ARG 98 HH12 ARG 98 -16.798 -2.783 7.816 766 1HH2 ARG 98 HH21 ARG 98 -17.584 -2.293 4.430 767 2HH2 ARG 98 HH22 ARG 98 -18.106 -2.034 6.070 768 H VAL 99 HN VAL 99 -10.956 -6.999 2.763 769 HA VAL 99 HA VAL 99 -11.983 -6.208 0.144 770 HB VAL 99 HB VAL 99 -11.108 -8.938 1.121 771 1HG1 VAL 99 HG11 VAL 99 -12.790 -9.093 -0.640 772 2HG1 VAL 99 HG12 VAL 99 -11.207 -9.594 -1.236 773 3HG1 VAL 99 HG13 VAL 99 -11.843 -8.002 -1.653 774 1HG2 VAL 99 HG21 VAL 99 -9.720 -6.965 -0.692 775 2HG2 VAL 99 HG22 VAL 99 -9.153 -8.593 -0.315 776 3HG2 VAL 99 HG23 VAL 99 -9.245 -7.375 0.956 777 H LYS 100 HN LYS 100 -14.082 -5.822 0.247 778 HA LYS 100 HA LYS 100 -15.825 -7.412 1.968 779 1HB LYS 100 HB2 LYS 100 -16.024 -4.966 2.017 780 2HB LYS 100 HB1 LYS 100 -16.347 -4.949 0.290 781 1HG LYS 100 HG2 LYS 100 -18.333 -6.519 0.968 782 2HG LYS 100 HG1 LYS 100 -18.105 -5.755 2.543 783 1HD LYS 100 HD2 LYS 100 -19.717 -4.455 1.380 784 2HD LYS 100 HD1 LYS 100 -18.212 -3.535 1.361 785 1HE LYS 100 HE2 LYS 100 -17.751 -4.427 -0.907 786 2HE LYS 100 HE1 LYS 100 -19.324 -5.217 -0.883 787 1HZ LYS 100 HZ1 LYS 100 -19.608 -3.214 -2.044 788 2HZ LYS 100 HZ2 LYS 100 -18.740 -2.311 -0.905 789 3HZ LYS 100 HZ3 LYS 100 -20.276 -2.929 -0.510 790 H ASP 101 HN ASP 101 -16.067 -9.363 0.892 791 HA ASP 101 HA ASP 101 -17.017 -10.853 -0.547 792 1HB ASP 101 HB2 ASP 101 -18.651 -8.407 -1.244 793 2HB ASP 101 HB1 ASP 101 -18.964 -9.993 -1.939 794 H GLY 102 HN GLY 102 -14.738 -9.016 -1.406 795 1HA GLY 102 HA2 GLY 102 -13.434 -9.639 -3.365 796 2HA GLY 102 HA1 GLY 102 -14.931 -9.634 -4.284 797 H VAL 103 HN VAL 103 -15.409 -7.077 -2.449 798 HA VAL 103 HA VAL 103 -14.229 -5.237 -4.411 799 HB VAL 103 HB VAL 103 -16.420 -4.705 -2.391 800 1HG1 VAL 103 HG11 VAL 103 -15.174 -2.706 -3.098 801 2HG1 VAL 103 HG12 VAL 103 -16.844 -2.686 -3.662 802 3HG1 VAL 103 HG13 VAL 103 -15.540 -3.093 -4.782 803 1HG2 VAL 103 HG21 VAL 103 -16.628 -5.300 -5.342 804 2HG2 VAL 103 HG22 VAL 103 -17.962 -4.832 -4.289 805 3HG2 VAL 103 HG23 VAL 103 -17.130 -6.365 -4.029 806 H VAL 104 HN VAL 104 -12.658 -3.832 -3.838 807 HA VAL 104 HA VAL 104 -11.558 -4.011 -1.166 808 HB VAL 104 HB VAL 104 -10.642 -2.195 -3.406 809 1HG1 VAL 104 HG11 VAL 104 -8.482 -2.297 -2.243 810 2HG1 VAL 104 HG12 VAL 104 -9.213 -3.294 -0.985 811 3HG1 VAL 104 HG13 VAL 104 -9.754 -1.632 -1.219 812 1HG2 VAL 104 HG21 VAL 104 -9.780 -5.031 -2.813 813 2HG2 VAL 104 HG22 VAL 104 -9.021 -3.954 -3.987 814 3HG2 VAL 104 HG23 VAL 104 -10.685 -4.490 -4.227 815 H GLN 105 HN GLN 105 -12.181 -2.725 0.462 816 HA GLN 105 HA GLN 105 -13.277 -0.074 -0.237 817 1HB GLN 105 HB2 GLN 105 -13.740 -1.514 2.367 818 2HB GLN 105 HB1 GLN 105 -14.594 -0.113 1.741 819 1HG GLN 105 HG2 GLN 105 -15.333 -1.673 -0.159 820 2HG GLN 105 HG1 GLN 105 -14.816 -2.975 0.913 821 1HE2 GLN 105 HE21 GLN 105 -17.176 -0.580 0.268 822 2HE2 GLN 105 HE22 GLN 105 -18.261 -0.996 1.545 823 H LEU 106 HN LEU 106 -12.445 1.730 0.723 824 HA LEU 106 HA LEU 106 -10.117 1.301 2.476 825 1HB LEU 106 HB2 LEU 106 -10.654 3.522 0.505 826 2HB LEU 106 HB1 LEU 106 -9.322 3.519 1.643 827 HG LEU 106 HG LEU 106 -9.738 1.607 -0.654 828 1HD1 LEU 106 HD11 LEU 106 -7.663 2.611 -1.488 829 2HD1 LEU 106 HD12 LEU 106 -7.661 3.725 -0.122 830 3HD1 LEU 106 HD13 LEU 106 -8.952 3.804 -1.319 831 1HD2 LEU 106 HD21 LEU 106 -7.530 1.681 1.399 832 2HD2 LEU 106 HD22 LEU 106 -7.597 0.633 -0.018 833 3HD2 LEU 106 HD23 LEU 106 -8.783 0.446 1.275 834 H ARG 107 HN ARG 107 -10.210 2.101 4.452 835 HA ARG 107 HA ARG 107 -12.074 4.312 5.002 836 1HB ARG 107 HB2 ARG 107 -12.616 2.427 6.392 837 2HB ARG 107 HB1 ARG 107 -10.928 2.188 6.825 838 1HG ARG 107 HG2 ARG 107 -10.922 4.231 8.105 839 2HG ARG 107 HG1 ARG 107 -12.566 4.600 7.583 840 1HD ARG 107 HD2 ARG 107 -12.542 3.692 9.843 841 2HD ARG 107 HD1 ARG 107 -13.389 2.618 8.732 842 HE ARG 107 HE ARG 107 -11.186 1.349 8.694 843 1HH1 ARG 107 HH11 ARG 107 -12.287 3.176 11.470 844 2HH1 ARG 107 HH12 ARG 107 -11.417 2.195 12.612 845 1HH2 ARG 107 HH21 ARG 107 -10.093 0.026 10.207 846 2HH2 ARG 107 HH22 ARG 107 -10.169 0.420 11.897 847 H GLY 108 HN GLY 108 -11.123 6.217 5.134 848 1HA GLY 108 HA2 GLY 108 -8.749 6.598 6.698 849 2HA GLY 108 HA1 GLY 108 -8.460 6.785 4.973 850 H GLY 109 HN GLY 109 -8.168 8.816 6.941 851 1HA GLY 109 HA2 GLY 109 -8.489 11.134 6.622 852 2HA GLY 109 HA1 GLY 109 -9.978 10.782 5.754 853 H SER 110 HN SER 110 -11.801 9.986 7.034 854 HA SER 110 HA SER 110 -11.717 10.731 9.863 855 1HB SER 110 HB2 SER 110 -13.806 11.716 7.900 856 2HB SER 110 HB1 SER 110 -13.842 11.966 9.643 857 HG SER 110 HG SER 110 -12.984 13.792 8.728 Start of MODEL 9 1 HA MET 1 HA MET 1 -17.662 8.155 10.723 2 1HB MET 1 HB2 MET 1 -15.135 9.610 11.542 3 2HB MET 1 HB1 MET 1 -15.726 9.490 9.894 4 1HG MET 1 HG2 MET 1 -16.326 11.622 10.714 5 2HG MET 1 HG1 MET 1 -17.800 10.660 10.635 6 1HE MET 1 HE1 MET 1 -18.275 13.060 13.738 7 2HE MET 1 HE2 MET 1 -18.897 12.600 12.153 8 3HE MET 1 HE3 MET 1 -17.346 13.429 12.285 9 H SER 2 HN SER 2 -16.590 7.041 9.036 10 HA SER 2 HA SER 2 -14.082 5.710 9.672 11 1HB SER 2 HB2 SER 2 -16.527 4.182 8.747 12 2HB SER 2 HB1 SER 2 -14.900 3.518 8.867 13 HG SER 2 HG SER 2 -15.772 4.743 11.169 14 H GLN 3 HN GLN 3 -16.658 6.062 7.268 15 HA GLN 3 HA GLN 3 -16.665 6.221 5.025 16 1HB GLN 3 HB2 GLN 3 -15.530 8.328 5.393 17 2HB GLN 3 HB1 GLN 3 -13.976 7.516 5.504 18 1HG GLN 3 HG2 GLN 3 -14.227 8.613 3.360 19 2HG GLN 3 HG1 GLN 3 -14.135 6.868 3.158 20 1HE2 GLN 3 HE21 GLN 3 -15.216 8.876 1.365 21 2HE2 GLN 3 HE22 GLN 3 -16.862 8.432 1.081 22 H TRP 4 HN TRP 4 -16.621 3.901 5.000 23 HA TRP 4 HA TRP 4 -14.151 2.712 4.007 24 1HB TRP 4 HB2 TRP 4 -16.883 1.561 4.598 25 2HB TRP 4 HB1 TRP 4 -15.621 0.636 3.796 26 HD1 TRP 4 HD1 TRP 4 -16.790 1.739 7.197 27 HE1 TRP 4 HE1 TRP 4 -15.239 0.746 8.999 28 HE3 TRP 4 HE3 TRP 4 -13.048 0.002 4.175 29 HZ2 TRP 4 HZ2 TRP 4 -12.755 -0.594 9.116 30 HZ3 TRP 4 HZ3 TRP 4 -11.121 -1.122 5.211 31 HH2 TRP 4 HH2 TRP 4 -10.977 -1.414 7.630 32 H LYS 5 HN LYS 5 -13.868 3.755 2.026 33 HA LYS 5 HA LYS 5 -16.129 3.682 0.179 34 1HB LYS 5 HB2 LYS 5 -14.860 5.809 0.450 35 2HB LYS 5 HB1 LYS 5 -13.449 5.008 -0.238 36 1HG LYS 5 HG2 LYS 5 -14.773 4.540 -2.279 37 2HG LYS 5 HG1 LYS 5 -16.095 5.480 -1.592 38 1HD LYS 5 HD2 LYS 5 -14.584 7.439 -1.489 39 2HD LYS 5 HD1 LYS 5 -13.341 6.478 -2.298 40 1HE LYS 5 HE2 LYS 5 -16.051 7.233 -3.383 41 2HE LYS 5 HE1 LYS 5 -14.487 7.832 -3.931 42 1HZ LYS 5 HZ1 LYS 5 -15.327 6.134 -5.417 43 2HZ LYS 5 HZ2 LYS 5 -15.444 5.025 -4.141 44 3HZ LYS 5 HZ3 LYS 5 -13.924 5.579 -4.645 45 H ASP 6 HN ASP 6 -16.274 2.334 -1.462 46 HA ASP 6 HA ASP 6 -14.330 0.292 -1.869 47 1HB ASP 6 HB2 ASP 6 -15.780 -0.509 -3.635 48 2HB ASP 6 HB1 ASP 6 -16.769 -0.047 -2.255 49 H ILE 7 HN ILE 7 -12.786 0.116 -3.381 50 HA ILE 7 HA ILE 7 -12.269 2.486 -5.045 51 HB ILE 7 HB ILE 7 -10.400 0.170 -4.520 52 1HG1 ILE 7 HG12 ILE 7 -10.922 1.201 -2.379 53 2HG1 ILE 7 HG11 ILE 7 -9.285 1.635 -2.863 54 1HG2 ILE 7 HG21 ILE 7 -8.674 1.725 -5.251 55 2HG2 ILE 7 HG22 ILE 7 -9.896 2.967 -5.517 56 3HG2 ILE 7 HG23 ILE 7 -9.902 1.500 -6.497 57 1HD1 ILE 7 HD11 ILE 7 -11.722 3.379 -3.113 58 2HD1 ILE 7 HD12 ILE 7 -10.083 3.818 -3.595 59 3HD1 ILE 7 HD13 ILE 7 -10.456 3.524 -1.896 60 H CYS 8 HN CYS 8 -11.648 -0.969 -5.301 61 HA CYS 8 HA CYS 8 -13.183 -1.238 -7.719 62 1HB CYS 8 HB2 CYS 8 -11.249 -2.131 -9.016 63 2HB CYS 8 HB1 CYS 8 -11.091 -0.415 -8.658 64 HG CYS 8 HG CYS 8 -9.185 -2.995 -7.673 65 H LYS 9 HN LYS 9 -12.851 -3.638 -8.493 66 HA LYS 9 HA LYS 9 -13.281 -5.298 -6.200 67 1HB LYS 9 HB2 LYS 9 -12.930 -6.024 -9.115 68 2HB LYS 9 HB1 LYS 9 -13.447 -7.134 -7.854 69 1HG LYS 9 HG2 LYS 9 -15.452 -5.838 -7.488 70 2HG LYS 9 HG1 LYS 9 -14.925 -4.649 -8.679 71 1HD LYS 9 HD2 LYS 9 -15.235 -7.540 -9.399 72 2HD LYS 9 HD1 LYS 9 -16.620 -6.452 -9.393 73 1HE LYS 9 HE2 LYS 9 -15.792 -6.529 -11.623 74 2HE LYS 9 HE1 LYS 9 -15.352 -4.962 -10.955 75 1HZ LYS 9 HZ1 LYS 9 -13.539 -5.931 -12.216 76 2HZ LYS 9 HZ2 LYS 9 -13.535 -7.301 -11.222 77 3HZ LYS 9 HZ3 LYS 9 -13.101 -5.792 -10.584 78 H ILE 10 HN ILE 10 -12.015 -7.106 -5.567 79 HA ILE 10 HA ILE 10 -9.191 -6.690 -5.709 80 HB ILE 10 HB ILE 10 -10.393 -7.733 -3.761 81 1HG1 ILE 10 HG12 ILE 10 -8.194 -9.465 -4.902 82 2HG1 ILE 10 HG11 ILE 10 -7.919 -7.894 -4.154 83 1HG2 ILE 10 HG21 ILE 10 -11.883 -9.215 -4.978 84 2HG2 ILE 10 HG22 ILE 10 -10.884 -10.133 -3.851 85 3HG2 ILE 10 HG23 ILE 10 -10.504 -10.141 -5.573 86 1HD1 ILE 10 HD11 ILE 10 -8.844 -8.724 -2.066 87 2HD1 ILE 10 HD12 ILE 10 -7.474 -9.698 -2.600 88 3HD1 ILE 10 HD13 ILE 10 -9.120 -10.298 -2.808 89 H ASP 11 HN ASP 11 -11.465 -8.116 -7.686 90 HA ASP 11 HA ASP 11 -9.960 -10.096 -9.025 91 1HB ASP 11 HB2 ASP 11 -12.340 -10.080 -9.256 92 2HB ASP 11 HB1 ASP 11 -12.340 -8.410 -9.809 93 H ASP 12 HN ASP 12 -10.091 -6.632 -9.216 94 HA ASP 12 HA ASP 12 -8.829 -6.399 -11.784 95 1HB ASP 12 HB2 ASP 12 -9.249 -4.358 -9.587 96 2HB ASP 12 HB1 ASP 12 -8.673 -3.989 -11.207 97 H ILE 13 HN ILE 13 -7.793 -6.597 -8.481 98 HA ILE 13 HA ILE 13 -5.031 -5.918 -9.234 99 HB ILE 13 HB ILE 13 -6.160 -6.174 -6.442 100 1HG1 ILE 13 HG12 ILE 13 -5.651 -3.646 -8.028 101 2HG1 ILE 13 HG11 ILE 13 -7.244 -4.337 -7.743 102 1HG2 ILE 13 HG21 ILE 13 -4.128 -4.963 -5.792 103 2HG2 ILE 13 HG22 ILE 13 -3.595 -4.958 -7.474 104 3HG2 ILE 13 HG23 ILE 13 -3.746 -6.484 -6.601 105 1HD1 ILE 13 HD11 ILE 13 -6.797 -2.495 -6.232 106 2HD1 ILE 13 HD12 ILE 13 -5.354 -3.317 -5.635 107 3HD1 ILE 13 HD13 ILE 13 -6.949 -4.010 -5.342 108 H LEU 14 HN LEU 14 -4.075 -7.732 -9.920 109 HA LEU 14 HA LEU 14 -4.658 -10.333 -8.926 110 1HB LEU 14 HB2 LEU 14 -2.259 -9.373 -10.494 111 2HB LEU 14 HB1 LEU 14 -2.756 -11.043 -10.294 112 HG LEU 14 HG LEU 14 -4.318 -8.910 -11.757 113 1HD1 LEU 14 HD11 LEU 14 -2.763 -11.280 -12.780 114 2HD1 LEU 14 HD12 LEU 14 -2.317 -9.583 -12.960 115 3HD1 LEU 14 HD13 LEU 14 -3.763 -10.203 -13.756 116 1HD2 LEU 14 HD21 LEU 14 -5.772 -10.752 -12.444 117 2HD2 LEU 14 HD22 LEU 14 -5.777 -10.550 -10.692 118 3HD2 LEU 14 HD23 LEU 14 -4.852 -11.860 -11.425 119 HA PRO 15 HA PRO 15 -1.947 -10.648 -5.394 120 1HB PRO 15 HB2 PRO 15 -0.796 -13.113 -5.862 121 2HB PRO 15 HB1 PRO 15 -2.383 -12.873 -5.124 122 1HG PRO 15 HG2 PRO 15 -1.690 -13.538 -7.957 123 2HG PRO 15 HG1 PRO 15 -3.008 -14.163 -6.945 124 1HD PRO 15 HD2 PRO 15 -3.445 -12.291 -8.819 125 2HD PRO 15 HD1 PRO 15 -4.322 -12.279 -7.273 126 H GLU 16 HN GLU 16 0.170 -10.241 -4.859 127 HA GLU 16 HA GLU 16 2.341 -9.631 -5.089 128 1HB GLU 16 HB2 GLU 16 2.159 -11.420 -7.512 129 2HB GLU 16 HB1 GLU 16 3.646 -10.614 -7.034 130 1HG GLU 16 HG2 GLU 16 2.113 -12.443 -5.206 131 2HG GLU 16 HG1 GLU 16 3.388 -13.001 -6.292 132 H THR 17 HN THR 17 0.158 -8.047 -6.156 133 HA THR 17 HA THR 17 1.639 -6.497 -8.177 134 HB THR 17 HB THR 17 -1.367 -6.745 -8.224 135 HG1 THR 17 HG1 THR 17 -0.927 -8.754 -8.804 136 1HG2 THR 17 HG21 THR 17 -1.097 -5.980 -10.543 137 2HG2 THR 17 HG22 THR 17 0.650 -5.910 -10.315 138 3HG2 THR 17 HG23 THR 17 -0.401 -4.828 -9.402 139 H GLY 18 HN GLY 18 1.530 -4.293 -7.977 140 1HA GLY 18 HA2 GLY 18 -0.227 -3.207 -5.874 141 2HA GLY 18 HA1 GLY 18 1.442 -2.683 -6.040 142 H VAL 19 HN VAL 19 -1.401 -1.465 -6.451 143 HA VAL 19 HA VAL 19 -0.748 -0.176 -9.021 144 HB VAL 19 HB VAL 19 -3.172 -0.013 -9.521 145 1HG1 VAL 19 HG11 VAL 19 -1.831 -1.777 -10.541 146 2HG1 VAL 19 HG12 VAL 19 -3.476 -2.332 -10.234 147 3HG1 VAL 19 HG13 VAL 19 -2.163 -2.835 -9.170 148 1HG2 VAL 19 HG21 VAL 19 -3.481 -1.900 -7.186 149 2HG2 VAL 19 HG22 VAL 19 -4.758 -1.437 -8.311 150 3HG2 VAL 19 HG23 VAL 19 -4.035 -0.227 -7.248 151 H CYS 20 HN CYS 20 -2.067 1.890 -9.302 152 HA CYS 20 HA CYS 20 -1.973 3.393 -6.788 153 1HB CYS 20 HB2 CYS 20 -0.712 4.302 -8.707 154 2HB CYS 20 HB1 CYS 20 -2.200 4.379 -9.644 155 HG CYS 20 HG CYS 20 -3.148 6.068 -7.234 156 H ALA 21 HN ALA 21 -3.767 4.116 -5.818 157 HA ALA 21 HA ALA 21 -6.309 3.903 -7.287 158 1HB ALA 21 HB1 ALA 21 -5.798 3.100 -4.427 159 2HB ALA 21 HB2 ALA 21 -6.106 2.009 -5.778 160 3HB ALA 21 HB3 ALA 21 -7.368 3.110 -5.225 161 H LEU 22 HN LEU 22 -8.075 5.131 -6.163 162 HA LEU 22 HA LEU 22 -7.049 7.538 -4.829 163 1HB LEU 22 HB2 LEU 22 -9.131 7.384 -7.012 164 2HB LEU 22 HB1 LEU 22 -8.814 8.820 -6.058 165 HG LEU 22 HG LEU 22 -6.788 7.474 -7.849 166 1HD1 LEU 22 HD11 LEU 22 -8.428 9.963 -8.296 167 2HD1 LEU 22 HD12 LEU 22 -8.609 8.431 -9.151 168 3HD1 LEU 22 HD13 LEU 22 -7.133 9.379 -9.341 169 1HD2 LEU 22 HD21 LEU 22 -5.488 9.509 -7.509 170 2HD2 LEU 22 HD22 LEU 22 -5.797 8.693 -5.976 171 3HD2 LEU 22 HD23 LEU 22 -6.725 10.127 -6.415 172 H LEU 23 HN LEU 23 -7.908 7.752 -2.900 173 HA LEU 23 HA LEU 23 -10.479 6.479 -2.299 174 1HB LEU 23 HB2 LEU 23 -8.547 6.043 -0.803 175 2HB LEU 23 HB1 LEU 23 -8.457 7.758 -0.447 176 HG LEU 23 HG LEU 23 -10.719 7.639 0.563 177 1HD1 LEU 23 HD11 LEU 23 -10.413 4.675 0.127 178 2HD1 LEU 23 HD12 LEU 23 -11.570 5.729 -0.687 179 3HD1 LEU 23 HD13 LEU 23 -11.693 5.460 1.051 180 1HD2 LEU 23 HD21 LEU 23 -8.731 7.457 1.956 181 2HD2 LEU 23 HD22 LEU 23 -8.702 5.711 1.701 182 3HD2 LEU 23 HD23 LEU 23 -10.037 6.452 2.586 183 H GLY 24 HN GLY 24 -11.821 7.959 -3.369 184 1HA GLY 24 HA2 GLY 24 -13.200 9.826 -3.385 185 2HA GLY 24 HA1 GLY 24 -12.353 10.423 -1.962 186 H ASP 25 HN ASP 25 -10.499 11.674 -2.203 187 HA ASP 25 HA ASP 25 -9.651 12.221 -4.968 188 1HB ASP 25 HB2 ASP 25 -10.980 14.121 -4.032 189 2HB ASP 25 HB1 ASP 25 -9.775 14.287 -2.759 190 H GLU 26 HN GLU 26 -8.846 10.977 -2.045 191 HA GLU 26 HA GLU 26 -6.156 12.006 -1.817 192 1HB GLU 26 HB2 GLU 26 -7.511 9.733 -0.351 193 2HB GLU 26 HB1 GLU 26 -5.967 10.456 0.077 194 1HG GLU 26 HG2 GLU 26 -8.626 11.869 0.087 195 2HG GLU 26 HG1 GLU 26 -7.782 11.246 1.505 196 H GLN 27 HN GLN 27 -4.271 10.932 -2.328 197 HA GLN 27 HA GLN 27 -4.567 8.785 -4.265 198 1HB GLN 27 HB2 GLN 27 -2.115 10.311 -3.380 199 2HB GLN 27 HB1 GLN 27 -2.147 9.110 -4.661 200 1HG GLN 27 HG2 GLN 27 -3.874 10.589 -5.787 201 2HG GLN 27 HG1 GLN 27 -3.418 11.824 -4.616 202 1HE2 GLN 27 HE21 GLN 27 -0.623 10.863 -4.585 203 2HE2 GLN 27 HE22 GLN 27 0.085 11.448 -6.058 204 H VAL 28 HN VAL 28 -4.335 6.718 -3.778 205 HA VAL 28 HA VAL 28 -2.773 5.990 -1.388 206 HB VAL 28 HB VAL 28 -5.383 4.698 -2.216 207 1HG1 VAL 28 HG11 VAL 28 -3.820 3.166 -1.128 208 2HG1 VAL 28 HG12 VAL 28 -5.216 3.496 -0.102 209 3HG1 VAL 28 HG13 VAL 28 -3.671 4.280 0.231 210 1HG2 VAL 28 HG21 VAL 28 -6.329 5.699 -0.188 211 2HG2 VAL 28 HG22 VAL 28 -5.787 6.928 -1.331 212 3HG2 VAL 28 HG23 VAL 28 -4.814 6.555 0.092 213 H ALA 29 HN ALA 29 -1.459 4.239 -1.618 214 HA ALA 29 HA ALA 29 -1.460 2.902 -4.237 215 1HB ALA 29 HB1 ALA 29 0.674 2.932 -2.094 216 2HB ALA 29 HB2 ALA 29 0.660 3.940 -3.540 217 3HB ALA 29 HB3 ALA 29 0.811 2.189 -3.688 218 H ILE 30 HN ILE 30 -2.430 0.984 -4.330 219 HA ILE 30 HA ILE 30 -2.803 -0.502 -1.825 220 HB ILE 30 HB ILE 30 -4.316 -0.752 -4.432 221 1HG1 ILE 30 HG12 ILE 30 -5.131 0.378 -1.742 222 2HG1 ILE 30 HG11 ILE 30 -4.859 1.303 -3.215 223 1HG2 ILE 30 HG21 ILE 30 -5.808 -2.263 -3.191 224 2HG2 ILE 30 HG22 ILE 30 -4.727 -2.172 -1.801 225 3HG2 ILE 30 HG23 ILE 30 -4.167 -2.898 -3.307 226 1HD1 ILE 30 HD11 ILE 30 -7.011 -0.767 -2.826 227 2HD1 ILE 30 HD12 ILE 30 -6.756 0.215 -4.268 228 3HD1 ILE 30 HD13 ILE 30 -7.235 0.980 -2.754 229 H PHE 31 HN PHE 31 -1.668 -2.252 -1.492 230 HA PHE 31 HA PHE 31 -0.480 -3.640 -3.806 231 1HB PHE 31 HB2 PHE 31 0.564 -3.510 -0.966 232 2HB PHE 31 HB1 PHE 31 1.333 -4.340 -2.314 233 HD1 PHE 31 HD1 PHE 31 0.743 -1.150 -0.687 234 HD2 PHE 31 HD2 PHE 31 2.391 -3.060 -4.116 235 HE1 PHE 31 HE1 PHE 31 1.999 0.898 -1.220 236 HE2 PHE 31 HE2 PHE 31 3.649 -1.014 -4.652 237 HZ PHE 31 HZ PHE 31 3.453 0.967 -3.203 238 H ARG 32 HN ARG 32 -1.105 -5.689 -4.103 239 HA ARG 32 HA ARG 32 -2.281 -7.122 -1.821 240 1HB ARG 32 HB2 ARG 32 -3.838 -6.858 -3.708 241 2HB ARG 32 HB1 ARG 32 -2.665 -7.599 -4.788 242 1HG ARG 32 HG2 ARG 32 -2.826 -9.686 -3.493 243 2HG ARG 32 HG1 ARG 32 -4.054 -8.934 -2.473 244 1HD ARG 32 HD2 ARG 32 -5.475 -8.607 -4.444 245 2HD ARG 32 HD1 ARG 32 -4.250 -9.374 -5.452 246 HE ARG 32 HE ARG 32 -5.006 -11.098 -3.333 247 1HH1 ARG 32 HH11 ARG 32 -6.147 -9.826 -6.391 248 2HH1 ARG 32 HH12 ARG 32 -7.182 -11.181 -6.715 249 1HH2 ARG 32 HH21 ARG 32 -6.373 -12.898 -3.767 250 2HH2 ARG 32 HH22 ARG 32 -7.308 -12.926 -5.226 251 HA PRO 33 HA PRO 33 1.605 -9.341 -2.463 252 1HB PRO 33 HB2 PRO 33 1.599 -9.974 0.315 253 2HB PRO 33 HB1 PRO 33 2.600 -8.787 -0.520 254 1HG PRO 33 HG2 PRO 33 0.605 -8.212 1.335 255 2HG PRO 33 HG1 PRO 33 1.324 -7.062 0.198 256 1HD PRO 33 HD2 PRO 33 -1.279 -8.496 0.046 257 2HD PRO 33 HD1 PRO 33 -0.832 -6.889 -0.555 258 H TYR 34 HN TYR 34 -1.204 -10.343 -0.566 259 HA TYR 34 HA TYR 34 -0.396 -13.131 -0.750 260 1HB TYR 34 HB2 TYR 34 -2.732 -11.808 0.638 261 2HB TYR 34 HB1 TYR 34 -2.435 -13.539 0.647 262 HD1 TYR 34 HD1 TYR 34 -1.742 -10.414 2.228 263 HD2 TYR 34 HD2 TYR 34 -0.246 -14.362 1.692 264 HE1 TYR 34 HE1 TYR 34 -0.365 -10.159 4.247 265 HE2 TYR 34 HE2 TYR 34 1.139 -14.114 3.709 266 HH TYR 34 HH TYR 34 0.691 -11.626 5.944 267 H HIS 35 HN HIS 35 -1.862 -14.764 -1.480 268 HA HIS 35 HA HIS 35 -3.294 -14.080 -3.873 269 1HB HIS 35 HB2 HIS 35 -2.957 -16.648 -2.325 270 2HB HIS 35 HB1 HIS 35 -3.983 -16.541 -3.748 271 HD1 HIS 35 HD1 HIS 35 -2.704 -17.885 -5.394 272 HD2 HIS 35 HD2 HIS 35 -0.318 -15.078 -3.461 273 HE1 HIS 35 HE1 HIS 35 -0.479 -17.961 -6.565 274 HE2 HIS 35 HE2 HIS 35 0.889 -16.134 -5.495 275 H SER 36 HN SER 36 -4.008 -14.147 -0.583 276 HA SER 36 HA SER 36 -6.828 -14.716 -0.878 277 1HB SER 36 HB2 SER 36 -6.757 -14.164 1.645 278 2HB SER 36 HB1 SER 36 -5.918 -15.613 1.092 279 HG SER 36 HG SER 36 -4.078 -14.761 1.651 280 H ASP 37 HN ASP 37 -7.838 -12.989 1.072 281 HA ASP 37 HA ASP 37 -8.212 -10.602 -0.522 282 1HB ASP 37 HB2 ASP 37 -10.013 -10.115 1.097 283 2HB ASP 37 HB1 ASP 37 -10.160 -11.735 0.423 284 H GLN 38 HN GLN 38 -5.798 -11.296 1.372 285 HA GLN 38 HA GLN 38 -5.874 -9.057 3.197 286 1HB GLN 38 HB2 GLN 38 -3.738 -11.098 2.586 287 2HB GLN 38 HB1 GLN 38 -3.555 -9.813 3.773 288 1HG GLN 38 HG2 GLN 38 -5.339 -10.690 5.096 289 2HG GLN 38 HG1 GLN 38 -5.734 -11.881 3.857 290 1HE2 GLN 38 HE21 GLN 38 -4.426 -13.672 3.596 291 2HE2 GLN 38 HE22 GLN 38 -3.279 -14.155 4.799 292 H VAL 39 HN VAL 39 -5.870 -7.189 2.088 293 HA VAL 39 HA VAL 39 -3.564 -6.671 0.331 294 HB VAL 39 HB VAL 39 -4.897 -4.861 -0.699 295 1HG1 VAL 39 HG11 VAL 39 -6.210 -7.576 -0.791 296 2HG1 VAL 39 HG12 VAL 39 -4.842 -7.040 -1.768 297 3HG1 VAL 39 HG13 VAL 39 -6.426 -6.293 -1.980 298 1HG2 VAL 39 HG21 VAL 39 -7.307 -4.723 -0.303 299 2HG2 VAL 39 HG22 VAL 39 -6.398 -4.389 1.171 300 3HG2 VAL 39 HG23 VAL 39 -7.177 -5.955 0.950 301 H PHE 40 HN PHE 40 -2.617 -4.540 0.467 302 HA PHE 40 HA PHE 40 -3.095 -3.202 3.048 303 1HB PHE 40 HB2 PHE 40 -0.412 -3.817 1.784 304 2HB PHE 40 HB1 PHE 40 -0.644 -2.812 3.211 305 HD1 PHE 40 HD1 PHE 40 -1.104 -3.782 5.354 306 HD2 PHE 40 HD2 PHE 40 -0.800 -6.238 1.891 307 HE1 PHE 40 HE1 PHE 40 -0.978 -5.779 6.785 308 HE2 PHE 40 HE2 PHE 40 -0.674 -8.241 3.318 309 HZ PHE 40 HZ PHE 40 -0.761 -8.010 5.767 310 H ALA 41 HN ALA 41 -2.952 -0.969 3.036 311 HA ALA 41 HA ALA 41 -2.417 0.296 0.439 312 1HB ALA 41 HB1 ALA 41 -4.840 -0.013 0.665 313 2HB ALA 41 HB2 ALA 41 -4.391 1.693 0.663 314 3HB ALA 41 HB3 ALA 41 -4.807 0.891 2.177 315 H ILE 42 HN ILE 42 -1.180 2.033 0.558 316 HA ILE 42 HA ILE 42 -1.078 3.604 3.037 317 HB ILE 42 HB ILE 42 1.399 3.813 2.806 318 1HG1 ILE 42 HG12 ILE 42 1.091 1.501 0.874 319 2HG1 ILE 42 HG11 ILE 42 1.557 3.142 0.439 320 1HG2 ILE 42 HG21 ILE 42 1.941 1.625 3.795 321 2HG2 ILE 42 HG22 ILE 42 0.357 1.029 3.298 322 3HG2 ILE 42 HG23 ILE 42 0.476 2.333 4.479 323 1HD1 ILE 42 HD11 ILE 42 3.122 1.295 2.225 324 2HD1 ILE 42 HD12 ILE 42 3.593 2.925 1.745 325 3HD1 ILE 42 HD13 ILE 42 3.477 1.648 0.534 326 H SER 43 HN SER 43 0.198 5.710 2.593 327 HA SER 43 HA SER 43 -0.831 7.020 0.317 328 1HB SER 43 HB2 SER 43 0.827 8.831 0.972 329 2HB SER 43 HB1 SER 43 -0.297 8.341 2.239 330 HG SER 43 HG SER 43 2.332 7.309 1.939 331 H ASN 44 HN ASN 44 0.078 7.491 -1.662 332 HA ASN 44 HA ASN 44 2.017 5.518 -2.509 333 1HB ASN 44 HB2 ASN 44 1.420 6.213 -4.786 334 2HB ASN 44 HB1 ASN 44 -0.013 5.855 -3.830 335 1HD2 ASN 44 HD21 ASN 44 0.357 7.531 -6.219 336 2HD2 ASN 44 HD22 ASN 44 -0.243 9.093 -5.790 337 H ILE 45 HN ILE 45 2.298 8.634 -1.394 338 HA ILE 45 HA ILE 45 4.580 9.226 -3.156 339 HB ILE 45 HB ILE 45 2.994 11.146 -1.436 340 1HG1 ILE 45 HG12 ILE 45 3.014 10.825 -4.445 341 2HG1 ILE 45 HG11 ILE 45 1.742 10.224 -3.388 342 1HG2 ILE 45 HG21 ILE 45 4.228 12.892 -2.641 343 2HG2 ILE 45 HG22 ILE 45 5.170 11.649 -3.464 344 3HG2 ILE 45 HG23 ILE 45 5.305 11.846 -1.717 345 1HD1 ILE 45 HD11 ILE 45 2.508 13.106 -3.794 346 2HD1 ILE 45 HD12 ILE 45 1.269 12.526 -2.682 347 3HD1 ILE 45 HD13 ILE 45 1.069 12.295 -4.420 348 H ASP 46 HN ASP 46 6.532 8.976 -2.314 349 HA ASP 46 HA ASP 46 7.093 8.346 0.367 350 1HB ASP 46 HB2 ASP 46 9.076 9.691 -1.467 351 2HB ASP 46 HB1 ASP 46 9.406 8.562 -0.163 352 HA PRO 47 HA PRO 47 7.425 12.544 2.015 353 1HB PRO 47 HB2 PRO 47 8.109 11.408 4.558 354 2HB PRO 47 HB1 PRO 47 6.584 12.153 4.084 355 1HG PRO 47 HG2 PRO 47 6.906 9.479 4.675 356 2HG PRO 47 HG1 PRO 47 5.592 10.142 3.688 357 1HD PRO 47 HD2 PRO 47 8.121 8.797 2.826 358 2HD PRO 47 HD1 PRO 47 6.486 8.682 2.134 359 H PHE 48 HN PHE 48 9.597 9.966 1.802 360 HA PHE 48 HA PHE 48 11.865 11.351 2.961 361 1HB PHE 48 HB2 PHE 48 11.571 8.952 3.373 362 2HB PHE 48 HB1 PHE 48 11.647 8.635 1.644 363 HD1 PHE 48 HD1 PHE 48 13.623 9.997 4.475 364 HD2 PHE 48 HD2 PHE 48 13.686 8.199 0.617 365 HE1 PHE 48 HE1 PHE 48 16.061 9.724 4.644 366 HE2 PHE 48 HE2 PHE 48 16.124 7.928 0.781 367 HZ PHE 48 HZ PHE 48 17.313 8.689 2.796 368 H PHE 49 HN PHE 49 11.054 9.923 -0.221 369 HA PHE 49 HA PHE 49 13.171 11.616 -1.371 370 1HB PHE 49 HB2 PHE 49 13.105 8.953 -1.509 371 2HB PHE 49 HB1 PHE 49 12.086 9.304 -2.901 372 HD1 PHE 49 HD1 PHE 49 13.000 10.536 -4.826 373 HD2 PHE 49 HD2 PHE 49 15.442 9.396 -1.534 374 HE1 PHE 49 HE1 PHE 49 15.012 10.939 -6.183 375 HE2 PHE 49 HE2 PHE 49 17.457 9.798 -2.884 376 HZ PHE 49 HZ PHE 49 17.242 10.571 -5.209 377 H GLU 50 HN GLU 50 9.824 10.877 -1.420 378 HA GLU 50 HA GLU 50 8.038 11.874 -2.359 379 1HB GLU 50 HB2 GLU 50 10.043 13.892 -3.364 380 2HB GLU 50 HB1 GLU 50 8.297 14.072 -3.465 381 1HG GLU 50 HG2 GLU 50 8.115 14.104 -1.064 382 2HG GLU 50 HG1 GLU 50 9.837 13.767 -0.896 383 H SER 51 HN SER 51 8.164 9.822 -3.632 384 HA SER 51 HA SER 51 8.320 10.461 -6.500 385 1HB SER 51 HB2 SER 51 9.652 8.495 -5.842 386 2HB SER 51 HB1 SER 51 8.227 7.764 -5.110 387 HG SER 51 HG SER 51 7.988 6.907 -7.010 388 H SER 52 HN SER 52 6.489 9.484 -7.807 389 HA SER 52 HA SER 52 4.044 10.260 -6.459 390 1HB SER 52 HB2 SER 52 3.067 10.078 -8.779 391 2HB SER 52 HB1 SER 52 4.376 11.246 -8.610 392 HG SER 52 HG SER 52 4.290 9.499 -10.417 393 H VAL 53 HN VAL 53 5.532 7.353 -7.699 394 HA VAL 53 HA VAL 53 3.171 5.876 -6.769 395 HB VAL 53 HB VAL 53 3.627 4.163 -8.559 396 1HG1 VAL 53 HG11 VAL 53 2.478 5.430 -10.326 397 2HG1 VAL 53 HG12 VAL 53 2.808 6.924 -9.450 398 3HG1 VAL 53 HG13 VAL 53 1.760 5.697 -8.738 399 1HG2 VAL 53 HG21 VAL 53 4.853 4.874 -10.553 400 2HG2 VAL 53 HG22 VAL 53 5.906 4.840 -9.138 401 3HG2 VAL 53 HG23 VAL 53 5.299 6.379 -9.749 402 H LEU 54 HN LEU 54 3.646 4.568 -5.168 403 HA LEU 54 HA LEU 54 6.315 3.436 -4.879 404 1HB LEU 54 HB2 LEU 54 3.843 3.183 -3.158 405 2HB LEU 54 HB1 LEU 54 5.395 2.463 -2.782 406 HG LEU 54 HG LEU 54 4.808 5.416 -2.964 407 1HD1 LEU 54 HD11 LEU 54 5.478 3.653 -0.613 408 2HD1 LEU 54 HD12 LEU 54 3.902 4.363 -0.964 409 3HD1 LEU 54 HD13 LEU 54 5.270 5.404 -0.567 410 1HD2 LEU 54 HD21 LEU 54 7.055 4.917 -3.753 411 2HD2 LEU 54 HD22 LEU 54 7.368 3.969 -2.300 412 3HD2 LEU 54 HD23 LEU 54 7.108 5.709 -2.178 413 H SER 55 HN SER 55 3.558 2.750 -6.523 414 HA SER 55 HA SER 55 3.246 -0.037 -6.012 415 1HB SER 55 HB2 SER 55 2.224 1.519 -8.392 416 2HB SER 55 HB1 SER 55 1.538 0.055 -7.685 417 HG SER 55 HG SER 55 0.410 1.322 -6.459 418 H ARG 56 HN ARG 56 5.694 1.498 -7.478 419 HA ARG 56 HA ARG 56 6.038 -0.481 -9.619 420 1HB ARG 56 HB2 ARG 56 6.135 2.009 -10.126 421 2HB ARG 56 HB1 ARG 56 7.626 2.053 -9.197 422 1HG ARG 56 HG2 ARG 56 8.742 0.653 -10.748 423 2HG ARG 56 HG1 ARG 56 7.232 0.258 -11.575 424 1HD ARG 56 HD2 ARG 56 8.535 2.976 -11.458 425 2HD ARG 56 HD1 ARG 56 8.542 1.882 -12.842 426 HE ARG 56 HE ARG 56 5.885 2.275 -12.202 427 1HH1 ARG 56 HH11 ARG 56 8.591 4.241 -13.224 428 2HH1 ARG 56 HH12 ARG 56 7.601 5.451 -13.981 429 1HH2 ARG 56 HH21 ARG 56 4.562 3.852 -13.197 430 2HH2 ARG 56 HH22 ARG 56 5.306 5.233 -13.966 431 H GLY 57 HN GLY 57 6.364 -1.319 -7.010 432 1HA GLY 57 HA2 GLY 57 9.262 -1.827 -6.918 433 2HA GLY 57 HA1 GLY 57 8.402 -1.348 -5.460 434 H LEU 58 HN LEU 58 9.796 -3.695 -5.491 435 HA LEU 58 HA LEU 58 7.868 -5.824 -6.062 436 1HB LEU 58 HB2 LEU 58 10.809 -5.903 -5.381 437 2HB LEU 58 HB1 LEU 58 9.818 -7.339 -5.517 438 HG LEU 58 HG LEU 58 10.984 -7.169 -7.553 439 1HD1 LEU 58 HD11 LEU 58 8.646 -7.737 -7.842 440 2HD1 LEU 58 HD12 LEU 58 9.237 -6.809 -9.220 441 3HD1 LEU 58 HD13 LEU 58 8.232 -6.030 -7.999 442 1HD2 LEU 58 HD21 LEU 58 10.131 -4.282 -7.709 443 2HD2 LEU 58 HD22 LEU 58 11.026 -5.160 -8.948 444 3HD2 LEU 58 HD23 LEU 58 11.757 -4.874 -7.370 445 H ILE 59 HN ILE 59 7.013 -7.126 -4.501 446 HA ILE 59 HA ILE 59 7.260 -6.150 -1.763 447 HB ILE 59 HB ILE 59 5.359 -8.224 -2.879 448 1HG1 ILE 59 HG12 ILE 59 4.876 -5.302 -2.248 449 2HG1 ILE 59 HG11 ILE 59 5.042 -5.968 -3.868 450 1HG2 ILE 59 HG21 ILE 59 4.104 -7.809 -0.795 451 2HG2 ILE 59 HG22 ILE 59 5.407 -6.758 -0.242 452 3HG2 ILE 59 HG23 ILE 59 5.708 -8.478 -0.495 453 1HD1 ILE 59 HD11 ILE 59 3.038 -7.306 -3.530 454 2HD1 ILE 59 HD12 ILE 59 2.712 -5.590 -3.285 455 3HD1 ILE 59 HD13 ILE 59 2.879 -6.663 -1.895 456 H ALA 60 HN ALA 60 8.553 -7.118 -0.355 457 HA ALA 60 HA ALA 60 9.183 -9.968 -0.716 458 1HB ALA 60 HB1 ALA 60 11.214 -7.821 -0.107 459 2HB ALA 60 HB2 ALA 60 11.040 -8.665 -1.646 460 3HB ALA 60 HB3 ALA 60 11.528 -9.554 -0.203 461 H GLU 61 HN GLU 61 10.197 -10.898 1.301 462 HA GLU 61 HA GLU 61 8.746 -9.798 3.596 463 1HB GLU 61 HB2 GLU 61 8.332 -12.169 2.847 464 2HB GLU 61 HB1 GLU 61 9.977 -12.542 3.343 465 1HG GLU 61 HG2 GLU 61 9.416 -11.803 5.628 466 2HG GLU 61 HG1 GLU 61 7.752 -11.552 5.106 467 H HIS 62 HN HIS 62 9.779 -8.890 5.216 468 HA HIS 62 HA HIS 62 12.653 -8.780 5.334 469 1HB HIS 62 HB2 HIS 62 11.269 -6.859 5.990 470 2HB HIS 62 HB1 HIS 62 10.525 -7.810 7.265 471 HD1 HIS 62 HD1 HIS 62 11.267 -6.542 9.276 472 HD2 HIS 62 HD2 HIS 62 14.428 -7.440 6.714 473 HE1 HIS 62 HE1 HIS 62 13.354 -5.830 10.488 474 HE2 HIS 62 HE2 HIS 62 15.258 -6.502 8.982 475 H GLN 63 HN GLN 63 10.094 -10.105 7.358 476 HA GLN 63 HA GLN 63 11.187 -12.575 7.870 477 1HB GLN 63 HB2 GLN 63 12.935 -11.142 9.098 478 2HB GLN 63 HB1 GLN 63 11.665 -10.783 10.259 479 1HG GLN 63 HG2 GLN 63 13.047 -12.577 11.079 480 2HG GLN 63 HG1 GLN 63 11.429 -13.180 10.726 481 1HE2 GLN 63 HE21 GLN 63 13.771 -12.478 8.234 482 2HE2 GLN 63 HE22 GLN 63 14.055 -14.118 7.763 483 H GLY 64 HN GLY 64 8.924 -12.838 7.468 484 1HA GLY 64 HA2 GLY 64 6.783 -13.278 8.305 485 2HA GLY 64 HA1 GLY 64 7.220 -12.459 9.799 486 H GLU 65 HN GLU 65 8.213 -10.095 8.428 487 HA GLU 65 HA GLU 65 5.685 -8.730 8.007 488 1HB GLU 65 HB2 GLU 65 8.443 -7.530 7.821 489 2HB GLU 65 HB1 GLU 65 6.927 -6.705 8.142 490 1HG GLU 65 HG2 GLU 65 6.804 -7.676 10.332 491 2HG GLU 65 HG1 GLU 65 8.234 -8.662 10.011 492 H LEU 66 HN LEU 66 5.075 -7.714 6.114 493 HA LEU 66 HA LEU 66 6.610 -8.433 3.727 494 1HB LEU 66 HB2 LEU 66 3.772 -7.453 4.019 495 2HB LEU 66 HB1 LEU 66 4.556 -7.782 2.485 496 HG LEU 66 HG LEU 66 3.997 -9.818 4.643 497 1HD1 LEU 66 HD11 LEU 66 2.392 -10.720 3.032 498 2HD1 LEU 66 HD12 LEU 66 2.722 -9.364 1.953 499 3HD1 LEU 66 HD13 LEU 66 1.977 -9.079 3.527 500 1HD2 LEU 66 HD21 LEU 66 6.024 -10.353 3.408 501 2HD2 LEU 66 HD22 LEU 66 5.165 -10.145 1.882 502 3HD2 LEU 66 HD23 LEU 66 4.720 -11.457 2.973 503 H TRP 67 HN TRP 67 7.862 -6.985 2.854 504 HA TRP 67 HA TRP 67 7.294 -4.129 3.317 505 1HB TRP 67 HB2 TRP 67 9.925 -5.595 3.087 506 2HB TRP 67 HB1 TRP 67 9.800 -3.849 2.930 507 HD1 TRP 67 HD1 TRP 67 8.747 -6.492 5.602 508 HE1 TRP 67 HE1 TRP 67 9.289 -5.504 7.925 509 HE3 TRP 67 HE3 TRP 67 10.493 -1.919 4.141 510 HZ2 TRP 67 HZ2 TRP 67 10.320 -3.101 8.981 511 HZ3 TRP 67 HZ3 TRP 67 11.232 -0.333 5.869 512 HH2 TRP 67 HH2 TRP 67 11.145 -0.910 8.238 513 H VAL 68 HN VAL 68 7.275 -2.797 1.563 514 HA VAL 68 HA VAL 68 7.657 -4.062 -1.047 515 HB VAL 68 HB VAL 68 5.562 -2.842 -0.797 516 1HG1 VAL 68 HG11 VAL 68 5.506 -0.416 -0.504 517 2HG1 VAL 68 HG12 VAL 68 7.257 -0.402 -0.287 518 3HG1 VAL 68 HG13 VAL 68 6.229 -1.221 0.889 519 1HG2 VAL 68 HG21 VAL 68 7.489 -1.438 -2.643 520 2HG2 VAL 68 HG22 VAL 68 5.730 -1.367 -2.751 521 3HG2 VAL 68 HG23 VAL 68 6.568 -2.898 -3.003 522 H ALA 69 HN ALA 69 9.436 -3.749 -2.173 523 HA ALA 69 HA ALA 69 11.245 -1.573 -1.345 524 1HB ALA 69 HB1 ALA 69 12.158 -3.779 -0.844 525 2HB ALA 69 HB2 ALA 69 13.096 -2.991 -2.114 526 3HB ALA 69 HB3 ALA 69 11.945 -4.262 -2.527 527 H SER 70 HN SER 70 11.036 0.027 -2.756 528 HA SER 70 HA SER 70 10.415 -0.499 -5.532 529 1HB SER 70 HB2 SER 70 10.950 2.122 -4.109 530 2HB SER 70 HB1 SER 70 10.292 1.942 -5.736 531 HG SER 70 HG SER 70 8.973 1.966 -3.444 532 HA PRO 71 HA PRO 71 14.765 -0.687 -6.535 533 1HB PRO 71 HB2 PRO 71 14.446 -1.069 -9.202 534 2HB PRO 71 HB1 PRO 71 14.217 -2.354 -8.011 535 1HG PRO 71 HG2 PRO 71 12.171 -0.658 -9.386 536 2HG PRO 71 HG1 PRO 71 12.142 -2.400 -9.055 537 1HD PRO 71 HD2 PRO 71 10.796 -0.600 -7.542 538 2HD PRO 71 HD1 PRO 71 11.465 -2.103 -6.876 539 H LEU 72 HN LEU 72 12.639 1.762 -7.101 540 HA LEU 72 HA LEU 72 13.967 3.329 -9.032 541 1HB LEU 72 HB2 LEU 72 12.150 4.082 -6.745 542 2HB LEU 72 HB1 LEU 72 12.805 5.265 -7.859 543 HG LEU 72 HG LEU 72 11.678 3.967 -9.721 544 1HD1 LEU 72 HD11 LEU 72 9.810 2.524 -9.105 545 2HD1 LEU 72 HD12 LEU 72 10.256 2.664 -7.405 546 3HD1 LEU 72 HD13 LEU 72 11.343 1.862 -8.537 547 1HD2 LEU 72 HD21 LEU 72 9.958 5.211 -7.583 548 2HD2 LEU 72 HD22 LEU 72 9.479 4.948 -9.259 549 3HD2 LEU 72 HD23 LEU 72 10.793 6.063 -8.883 550 H LYS 73 HN LYS 73 13.838 4.057 -5.534 551 HA LYS 73 HA LYS 73 16.721 4.588 -5.667 552 1HB LYS 73 HB2 LYS 73 14.584 6.386 -4.548 553 2HB LYS 73 HB1 LYS 73 16.266 6.523 -4.047 554 1HG LYS 73 HG2 LYS 73 15.215 6.805 -6.859 555 2HG LYS 73 HG1 LYS 73 15.782 8.111 -5.812 556 1HD LYS 73 HD2 LYS 73 18.012 7.338 -5.885 557 2HD LYS 73 HD1 LYS 73 17.534 5.779 -6.553 558 1HE LYS 73 HE2 LYS 73 18.536 7.075 -8.297 559 2HE LYS 73 HE1 LYS 73 16.809 6.953 -8.620 560 1HZ LYS 73 HZ1 LYS 73 17.758 9.192 -8.974 561 2HZ LYS 73 HZ2 LYS 73 18.090 9.289 -7.312 562 3HZ LYS 73 HZ3 LYS 73 16.485 9.170 -7.855 563 H LYS 74 HN LYS 74 14.971 2.388 -4.631 564 HA LYS 74 HA LYS 74 15.458 0.729 -3.163 565 1HB LYS 74 HB2 LYS 74 17.809 1.776 -3.401 566 2HB LYS 74 HB1 LYS 74 17.499 2.488 -1.826 567 1HG LYS 74 HG2 LYS 74 18.782 0.477 -1.565 568 2HG LYS 74 HG1 LYS 74 17.165 0.223 -0.904 569 1HD LYS 74 HD2 LYS 74 16.496 -1.032 -2.821 570 2HD LYS 74 HD1 LYS 74 17.968 -0.595 -3.691 571 1HE LYS 74 HE2 LYS 74 17.837 -2.269 -1.185 572 2HE LYS 74 HE1 LYS 74 18.050 -2.893 -2.821 573 1HZ LYS 74 HZ1 LYS 74 20.107 -1.538 -2.955 574 2HZ LYS 74 HZ2 LYS 74 20.179 -2.760 -1.786 575 3HZ LYS 74 HZ3 LYS 74 19.925 -1.148 -1.314 576 H GLN 75 HN GLN 75 13.571 2.996 -2.574 577 HA GLN 75 HA GLN 75 13.570 3.276 0.275 578 1HB GLN 75 HB2 GLN 75 11.283 4.207 -0.042 579 2HB GLN 75 HB1 GLN 75 12.505 5.000 -1.025 580 1HG GLN 75 HG2 GLN 75 11.102 2.762 -2.311 581 2HG GLN 75 HG1 GLN 75 10.115 4.174 -1.941 582 1HE2 GLN 75 HE21 GLN 75 10.498 6.090 -2.965 583 2HE2 GLN 75 HE22 GLN 75 11.503 6.209 -4.376 584 H ARG 76 HN ARG 76 12.436 2.158 1.803 585 HA ARG 76 HA ARG 76 10.930 -0.205 0.867 586 1HB ARG 76 HB2 ARG 76 12.736 -0.129 3.289 587 2HB ARG 76 HB1 ARG 76 11.882 -1.528 2.651 588 1HG ARG 76 HG2 ARG 76 13.246 -1.387 0.603 589 2HG ARG 76 HG1 ARG 76 14.141 -0.047 1.324 590 1HD ARG 76 HD2 ARG 76 15.417 -2.027 1.664 591 2HD ARG 76 HD1 ARG 76 14.723 -1.569 3.219 592 HE ARG 76 HE ARG 76 13.095 -3.438 1.791 593 1HH1 ARG 76 HH11 ARG 76 15.805 -3.095 3.957 594 2HH1 ARG 76 HH12 ARG 76 15.741 -4.739 4.525 595 1HH2 ARG 76 HH21 ARG 76 12.987 -5.609 2.532 596 2HH2 ARG 76 HH22 ARG 76 14.145 -6.176 3.696 597 H PHE 77 HN PHE 77 8.996 -0.510 1.779 598 HA PHE 77 HA PHE 77 8.341 1.012 4.216 599 1HB PHE 77 HB2 PHE 77 6.533 0.655 1.812 600 2HB PHE 77 HB1 PHE 77 6.110 1.482 3.306 601 HD1 PHE 77 HD1 PHE 77 6.954 3.691 3.785 602 HD2 PHE 77 HD2 PHE 77 8.021 1.669 0.197 603 HE1 PHE 77 HE1 PHE 77 7.798 5.801 2.847 604 HE2 PHE 77 HE2 PHE 77 8.869 3.776 -0.744 605 HZ PHE 77 HZ PHE 77 8.759 5.848 0.583 606 H ARG 78 HN ARG 78 7.303 -0.107 5.760 607 HA ARG 78 HA ARG 78 6.681 -2.906 5.306 608 1HB ARG 78 HB2 ARG 78 7.785 -2.140 7.408 609 2HB ARG 78 HB1 ARG 78 6.338 -1.228 7.808 610 1HG ARG 78 HG2 ARG 78 5.061 -3.206 8.090 611 2HG ARG 78 HG1 ARG 78 6.333 -4.203 7.384 612 1HD ARG 78 HD2 ARG 78 6.350 -4.477 9.778 613 2HD ARG 78 HD1 ARG 78 7.802 -3.611 9.284 614 HE ARG 78 HE ARG 78 5.903 -1.685 9.947 615 1HH1 ARG 78 HH11 ARG 78 7.619 -4.300 11.564 616 2HH1 ARG 78 HH12 ARG 78 7.596 -3.514 13.115 617 1HH2 ARG 78 HH21 ARG 78 5.877 -0.662 11.995 618 2HH2 ARG 78 HH22 ARG 78 6.599 -1.464 13.371 619 H LEU 79 HN LEU 79 4.791 -3.502 4.518 620 HA LEU 79 HA LEU 79 2.811 -1.622 3.855 621 1HB LEU 79 HB2 LEU 79 2.686 -4.634 3.868 622 2HB LEU 79 HB1 LEU 79 1.513 -3.588 3.093 623 HG LEU 79 HG LEU 79 4.433 -3.783 2.347 624 1HD1 LEU 79 HD11 LEU 79 3.618 -4.879 0.325 625 2HD1 LEU 79 HD12 LEU 79 1.970 -4.817 0.949 626 3HD1 LEU 79 HD13 LEU 79 3.185 -5.798 1.768 627 1HD2 LEU 79 HD21 LEU 79 2.156 -2.284 1.054 628 2HD2 LEU 79 HD22 LEU 79 3.800 -2.414 0.426 629 3HD2 LEU 79 HD23 LEU 79 3.501 -1.563 1.941 630 H SER 80 HN SER 80 3.163 -3.605 6.661 631 HA SER 80 HA SER 80 0.429 -3.848 7.326 632 1HB SER 80 HB2 SER 80 2.817 -4.036 9.167 633 2HB SER 80 HB1 SER 80 1.212 -4.720 9.441 634 HG SER 80 HG SER 80 3.075 -6.051 8.458 635 H ASP 81 HN ASP 81 2.951 -1.604 8.523 636 HA ASP 81 HA ASP 81 0.796 -0.142 9.906 637 1HB ASP 81 HB2 ASP 81 2.375 0.542 11.570 638 2HB ASP 81 HB1 ASP 81 2.543 -1.198 11.366 639 H GLY 82 HN GLY 82 3.209 0.066 7.493 640 1HA GLY 82 HA2 GLY 82 3.273 1.819 5.911 641 2HA GLY 82 HA1 GLY 82 2.509 2.879 7.087 642 H LEU 83 HN LEU 83 5.062 1.040 8.379 643 HA LEU 83 HA LEU 83 6.656 3.367 8.820 644 1HB LEU 83 HB2 LEU 83 6.646 1.552 10.440 645 2HB LEU 83 HB1 LEU 83 7.283 0.443 9.240 646 HG LEU 83 HG LEU 83 9.317 1.970 9.115 647 1HD1 LEU 83 HD11 LEU 83 8.114 3.014 11.671 648 2HD1 LEU 83 HD12 LEU 83 8.373 3.923 10.182 649 3HD1 LEU 83 HD13 LEU 83 9.755 3.331 11.106 650 1HD2 LEU 83 HD21 LEU 83 8.740 0.474 11.666 651 2HD2 LEU 83 HD22 LEU 83 10.339 0.969 11.106 652 3HD2 LEU 83 HD23 LEU 83 9.402 -0.198 10.173 653 H CYS 84 HN CYS 84 8.334 4.141 7.700 654 HA CYS 84 HA CYS 84 9.285 2.596 5.393 655 1HB CYS 84 HB2 CYS 84 8.595 4.921 4.951 656 2HB CYS 84 HB1 CYS 84 9.754 5.495 6.144 657 HG CYS 84 HG CYS 84 10.974 3.642 3.584 658 H MET 85 HN MET 85 11.358 1.829 5.318 659 HA MET 85 HA MET 85 12.746 1.539 7.773 660 1HB MET 85 HB2 MET 85 12.750 -0.028 5.743 661 2HB MET 85 HB1 MET 85 13.945 1.060 5.051 662 1HG MET 85 HG2 MET 85 15.465 0.629 6.851 663 2HG MET 85 HG1 MET 85 14.250 -0.325 7.701 664 1HE MET 85 HE1 MET 85 15.533 -2.520 8.007 665 2HE MET 85 HE2 MET 85 16.948 -1.606 7.482 666 3HE MET 85 HE3 MET 85 16.618 -3.196 6.791 667 H GLU 86 HN GLU 86 13.096 3.663 5.022 668 HA GLU 86 HA GLU 86 15.562 4.828 6.013 669 1HB GLU 86 HB2 GLU 86 13.832 5.662 3.674 670 2HB GLU 86 HB1 GLU 86 15.457 6.233 4.014 671 1HG GLU 86 HG2 GLU 86 15.575 4.641 2.248 672 2HG GLU 86 HG1 GLU 86 16.281 3.911 3.688 673 H ASP 87 HN ASP 87 12.210 5.787 5.488 674 HA ASP 87 HA ASP 87 12.672 8.420 6.618 675 1HB ASP 87 HB2 ASP 87 11.307 8.071 4.535 676 2HB ASP 87 HB1 ASP 87 10.079 7.310 5.542 677 H GLU 88 HN GLU 88 12.394 5.679 8.114 678 HA GLU 88 HA GLU 88 10.262 5.385 9.702 679 1HB GLU 88 HB2 GLU 88 11.924 4.760 11.572 680 2HB GLU 88 HB1 GLU 88 11.938 3.852 10.071 681 1HG GLU 88 HG2 GLU 88 14.185 4.205 10.639 682 2HG GLU 88 HG1 GLU 88 13.838 5.329 9.329 683 H GLN 89 HN GLN 89 12.445 8.100 10.011 684 HA GLN 89 HA GLN 89 11.767 9.216 12.415 685 1HB GLN 89 HB2 GLN 89 11.989 11.444 11.181 686 2HB GLN 89 HB1 GLN 89 13.359 10.347 11.106 687 1HG GLN 89 HG2 GLN 89 12.678 9.624 8.884 688 2HG GLN 89 HG1 GLN 89 11.273 10.683 8.960 689 1HE2 GLN 89 HE21 GLN 89 11.975 11.731 7.078 690 2HE2 GLN 89 HE22 GLN 89 13.268 12.887 7.126 691 H PHE 90 HN PHE 90 9.803 9.171 9.467 692 HA PHE 90 HA PHE 90 7.527 10.141 11.054 693 1HB PHE 90 HB2 PHE 90 8.374 12.042 9.770 694 2HB PHE 90 HB1 PHE 90 8.278 11.105 8.285 695 HD1 PHE 90 HD1 PHE 90 6.515 11.604 6.917 696 HD2 PHE 90 HD2 PHE 90 6.019 11.988 11.128 697 HE1 PHE 90 HE1 PHE 90 4.208 12.384 6.573 698 HE2 PHE 90 HE2 PHE 90 3.711 12.768 10.788 699 HZ PHE 90 HZ PHE 90 2.803 12.966 8.507 700 H SER 91 HN SER 91 8.435 8.792 7.879 701 HA SER 91 HA SER 91 7.682 7.020 6.703 702 1HB SER 91 HB2 SER 91 6.081 6.359 9.182 703 2HB SER 91 HB1 SER 91 6.282 5.299 7.783 704 HG SER 91 HG SER 91 8.449 6.348 9.279 705 H VAL 92 HN VAL 92 5.329 5.917 6.127 706 HA VAL 92 HA VAL 92 3.963 8.243 5.020 707 HB VAL 92 HB VAL 92 2.901 6.663 3.460 708 1HG1 VAL 92 HG11 VAL 92 5.005 7.704 2.850 709 2HG1 VAL 92 HG12 VAL 92 4.910 6.067 2.201 710 3HG1 VAL 92 HG13 VAL 92 5.895 6.395 3.626 711 1HG2 VAL 92 HG21 VAL 92 4.566 4.568 4.850 712 2HG2 VAL 92 HG22 VAL 92 3.631 4.330 3.373 713 3HG2 VAL 92 HG23 VAL 92 2.807 4.695 4.889 714 H LYS 93 HN LYS 93 1.520 7.596 4.476 715 HA LYS 93 HA LYS 93 0.265 7.202 7.093 716 1HB LYS 93 HB2 LYS 93 -0.249 9.256 5.759 717 2HB LYS 93 HB1 LYS 93 -0.953 8.229 4.519 718 1HG LYS 93 HG2 LYS 93 -2.614 7.434 6.143 719 2HG LYS 93 HG1 LYS 93 -1.924 8.516 7.355 720 1HD LYS 93 HD2 LYS 93 -2.396 10.421 5.803 721 2HD LYS 93 HD1 LYS 93 -3.257 9.283 4.764 722 1HE LYS 93 HE2 LYS 93 -4.848 10.423 6.157 723 2HE LYS 93 HE1 LYS 93 -4.745 8.738 6.665 724 1HZ LYS 93 HZ1 LYS 93 -3.367 9.375 8.510 725 2HZ LYS 93 HZ2 LYS 93 -4.777 10.320 8.537 726 3HZ LYS 93 HZ3 LYS 93 -3.316 10.986 7.985 727 H HIS 94 HN HIS 94 -0.586 5.284 7.545 728 HA HIS 94 HA HIS 94 -1.057 3.377 5.397 729 1HB HIS 94 HB2 HIS 94 0.189 2.555 7.303 730 2HB HIS 94 HB1 HIS 94 -1.080 3.070 8.408 731 HD1 HIS 94 HD1 HIS 94 -2.576 1.248 9.135 732 HD2 HIS 94 HD2 HIS 94 -0.903 0.485 5.401 733 HE1 HIS 94 HE1 HIS 94 -3.439 -1.014 8.451 734 HE2 HIS 94 HE2 HIS 94 -2.570 -1.363 6.113 735 H TYR 95 HN TYR 95 -3.000 2.709 4.730 736 HA TYR 95 HA TYR 95 -5.374 3.804 6.081 737 1HB TYR 95 HB2 TYR 95 -4.975 2.841 3.237 738 2HB TYR 95 HB1 TYR 95 -6.532 3.311 3.907 739 HD1 TYR 95 HD1 TYR 95 -3.156 4.582 3.038 740 HD2 TYR 95 HD2 TYR 95 -7.174 5.571 4.013 741 HE1 TYR 95 HE1 TYR 95 -2.728 6.919 2.408 742 HE2 TYR 95 HE2 TYR 95 -6.767 7.911 3.396 743 HH TYR 95 HH TYR 95 -4.006 8.885 1.659 744 H GLU 96 HN GLU 96 -7.084 2.430 6.626 745 HA GLU 96 HA GLU 96 -6.369 -0.356 6.938 746 1HB GLU 96 HB2 GLU 96 -8.842 1.190 7.733 747 2HB GLU 96 HB1 GLU 96 -8.591 -0.515 8.083 748 1HG GLU 96 HG2 GLU 96 -6.578 0.083 9.382 749 2HG GLU 96 HG1 GLU 96 -6.929 1.786 9.088 750 H ALA 97 HN ALA 97 -6.796 -1.851 5.466 751 HA ALA 97 HA ALA 97 -8.824 -1.223 3.429 752 1HB ALA 97 HB1 ALA 97 -7.522 -2.541 1.865 753 2HB ALA 97 HB2 ALA 97 -6.365 -2.944 3.135 754 3HB ALA 97 HB3 ALA 97 -6.520 -1.277 2.579 755 H ARG 98 HN ARG 98 -10.425 -2.632 3.042 756 HA ARG 98 HA ARG 98 -10.130 -5.390 4.004 757 1HB ARG 98 HB2 ARG 98 -12.307 -5.469 4.961 758 2HB ARG 98 HB1 ARG 98 -11.561 -4.014 5.605 759 1HG ARG 98 HG2 ARG 98 -12.822 -2.628 4.116 760 2HG ARG 98 HG1 ARG 98 -13.446 -4.036 3.258 761 1HD ARG 98 HD2 ARG 98 -14.548 -4.755 5.371 762 2HD ARG 98 HD1 ARG 98 -14.023 -3.243 6.109 763 HE ARG 98 HE ARG 98 -15.373 -2.469 3.861 764 1HH1 ARG 98 HH11 ARG 98 -16.195 -4.502 6.605 765 2HH1 ARG 98 HH12 ARG 98 -17.873 -4.038 6.590 766 1HH2 ARG 98 HH21 ARG 98 -17.575 -1.904 3.823 767 2HH2 ARG 98 HH22 ARG 98 -18.669 -2.603 4.988 768 H VAL 99 HN VAL 99 -11.074 -6.922 2.673 769 HA VAL 99 HA VAL 99 -12.091 -5.899 0.124 770 HB VAL 99 HB VAL 99 -11.271 -8.710 0.879 771 1HG1 VAL 99 HG11 VAL 99 -11.334 -9.131 -1.547 772 2HG1 VAL 99 HG12 VAL 99 -11.986 -7.511 -1.798 773 3HG1 VAL 99 HG13 VAL 99 -12.921 -8.709 -0.904 774 1HG2 VAL 99 HG21 VAL 99 -9.239 -8.309 -0.281 775 2HG2 VAL 99 HG22 VAL 99 -9.462 -6.961 0.833 776 3HG2 VAL 99 HG23 VAL 99 -9.812 -6.754 -0.882 777 H LYS 100 HN LYS 100 -14.171 -5.483 0.252 778 HA LYS 100 HA LYS 100 -15.919 -7.197 1.863 779 1HB LYS 100 HB2 LYS 100 -15.903 -4.682 2.115 780 2HB LYS 100 HB1 LYS 100 -16.586 -4.586 0.502 781 1HG LYS 100 HG2 LYS 100 -18.367 -6.237 1.531 782 2HG LYS 100 HG1 LYS 100 -17.836 -5.487 3.038 783 1HD LYS 100 HD2 LYS 100 -19.730 -4.267 2.186 784 2HD LYS 100 HD1 LYS 100 -18.288 -3.264 2.023 785 1HE LYS 100 HE2 LYS 100 -18.135 -3.707 -0.304 786 2HE LYS 100 HE1 LYS 100 -19.348 -4.982 -0.209 787 1HZ LYS 100 HZ1 LYS 100 -21.032 -3.370 0.236 788 2HZ LYS 100 HZ2 LYS 100 -20.184 -2.874 -1.148 789 3HZ LYS 100 HZ3 LYS 100 -19.898 -2.117 0.342 790 H ASP 101 HN ASP 101 -16.652 -8.895 0.720 791 HA ASP 101 HA ASP 101 -17.882 -10.054 -0.813 792 1HB ASP 101 HB2 ASP 101 -19.472 -8.158 -0.345 793 2HB ASP 101 HB1 ASP 101 -18.825 -7.335 -1.757 794 H GLY 102 HN GLY 102 -15.168 -9.029 -1.425 795 1HA GLY 102 HA2 GLY 102 -13.810 -9.578 -3.267 796 2HA GLY 102 HA1 GLY 102 -15.227 -9.527 -4.303 797 H VAL 103 HN VAL 103 -15.304 -6.813 -2.383 798 HA VAL 103 HA VAL 103 -13.994 -5.222 -4.500 799 HB VAL 103 HB VAL 103 -16.272 -4.414 -2.672 800 1HG1 VAL 103 HG11 VAL 103 -14.981 -2.918 -4.950 801 2HG1 VAL 103 HG12 VAL 103 -14.850 -2.521 -3.234 802 3HG1 VAL 103 HG13 VAL 103 -16.408 -2.399 -4.053 803 1HG2 VAL 103 HG21 VAL 103 -16.990 -6.020 -4.355 804 2HG2 VAL 103 HG22 VAL 103 -16.261 -5.036 -5.625 805 3HG2 VAL 103 HG23 VAL 103 -17.637 -4.418 -4.711 806 H VAL 104 HN VAL 104 -12.332 -3.939 -3.918 807 HA VAL 104 HA VAL 104 -11.315 -4.081 -1.234 808 HB VAL 104 HB VAL 104 -10.333 -2.317 -3.492 809 1HG1 VAL 104 HG11 VAL 104 -8.953 -3.359 -1.019 810 2HG1 VAL 104 HG12 VAL 104 -9.467 -1.697 -1.310 811 3HG1 VAL 104 HG13 VAL 104 -8.193 -2.413 -2.297 812 1HG2 VAL 104 HG21 VAL 104 -9.535 -5.148 -2.800 813 2HG2 VAL 104 HG22 VAL 104 -8.723 -4.118 -3.977 814 3HG2 VAL 104 HG23 VAL 104 -10.389 -4.624 -4.253 815 H GLN 105 HN GLN 105 -11.962 -2.788 0.378 816 HA GLN 105 HA GLN 105 -12.782 -0.035 -0.291 817 1HB GLN 105 HB2 GLN 105 -13.746 -1.822 1.939 818 2HB GLN 105 HB1 GLN 105 -14.090 -0.101 1.853 819 1HG GLN 105 HG2 GLN 105 -15.175 -0.508 -0.356 820 2HG GLN 105 HG1 GLN 105 -14.972 -2.237 -0.068 821 1HE2 GLN 105 HE21 GLN 105 -17.410 -0.638 -0.360 822 2HE2 GLN 105 HE22 GLN 105 -18.320 -0.891 1.090 823 H LEU 106 HN LEU 106 -11.983 1.632 0.930 824 HA LEU 106 HA LEU 106 -9.802 0.917 2.785 825 1HB LEU 106 HB2 LEU 106 -9.937 3.339 0.990 826 2HB LEU 106 HB1 LEU 106 -8.614 2.902 2.051 827 HG LEU 106 HG LEU 106 -9.483 1.375 -0.404 828 1HD1 LEU 106 HD11 LEU 106 -7.369 2.134 -1.344 829 2HD1 LEU 106 HD12 LEU 106 -7.040 3.062 0.119 830 3HD1 LEU 106 HD13 LEU 106 -8.399 3.499 -0.918 831 1HD2 LEU 106 HD21 LEU 106 -7.469 0.045 -0.034 832 2HD2 LEU 106 HD22 LEU 106 -8.600 -0.110 1.310 833 3HD2 LEU 106 HD23 LEU 106 -7.171 0.910 1.472 834 H ARG 107 HN ARG 107 -9.763 1.901 4.729 835 HA ARG 107 HA ARG 107 -11.627 4.143 5.168 836 1HB ARG 107 HB2 ARG 107 -12.236 2.208 6.538 837 2HB ARG 107 HB1 ARG 107 -10.598 2.119 7.177 838 1HG ARG 107 HG2 ARG 107 -10.866 4.198 8.327 839 2HG ARG 107 HG1 ARG 107 -12.421 4.485 7.547 840 1HD ARG 107 HD2 ARG 107 -13.227 3.646 9.474 841 2HD ARG 107 HD1 ARG 107 -12.911 2.102 8.686 842 HE ARG 107 HE ARG 107 -10.613 2.413 9.918 843 1HH1 ARG 107 HH11 ARG 107 -13.832 3.121 11.137 844 2HH1 ARG 107 HH12 ARG 107 -13.393 2.875 12.798 845 1HH2 ARG 107 HH21 ARG 107 -10.038 2.076 12.064 846 2HH2 ARG 107 HH22 ARG 107 -11.215 2.280 13.334 847 H GLY 108 HN GLY 108 -10.613 6.010 5.258 848 1HA GLY 108 HA2 GLY 108 -8.584 6.630 7.070 849 2HA GLY 108 HA1 GLY 108 -7.817 6.295 5.527 850 H GLY 109 HN GLY 109 -9.979 8.397 7.251 851 1HA GLY 109 HA2 GLY 109 -9.842 10.323 5.016 852 2HA GLY 109 HA1 GLY 109 -11.162 10.259 6.178 853 H SER 110 HN SER 110 -9.055 9.698 8.277 854 HA SER 110 HA SER 110 -7.553 12.159 8.424 855 1HB SER 110 HB2 SER 110 -9.673 11.498 10.488 856 2HB SER 110 HB1 SER 110 -8.487 12.795 10.625 857 HG SER 110 HG SER 110 -9.682 13.070 8.276 Start of MODEL 10 1 HA MET 1 HA MET 1 -15.613 8.401 11.403 2 1HB MET 1 HB2 MET 1 -16.971 9.200 8.816 3 2HB MET 1 HB1 MET 1 -17.731 8.428 10.200 4 1HG MET 1 HG2 MET 1 -16.538 11.188 10.163 5 2HG MET 1 HG1 MET 1 -18.256 10.802 10.073 6 1HE MET 1 HE1 MET 1 -16.999 12.825 12.171 7 2HE MET 1 HE2 MET 1 -17.861 12.363 13.640 8 3HE MET 1 HE3 MET 1 -18.721 12.445 12.101 9 H SER 2 HN SER 2 -16.479 7.821 8.093 10 HA SER 2 HA SER 2 -14.706 5.655 7.625 11 1HB SER 2 HB2 SER 2 -16.627 3.927 7.613 12 2HB SER 2 HB1 SER 2 -15.923 4.371 9.166 13 HG SER 2 HG SER 2 -18.446 4.929 8.110 14 H GLN 3 HN GLN 3 -14.398 6.413 5.590 15 HA GLN 3 HA GLN 3 -16.730 6.137 3.828 16 1HB GLN 3 HB2 GLN 3 -15.659 7.690 2.249 17 2HB GLN 3 HB1 GLN 3 -16.002 8.451 3.792 18 1HG GLN 3 HG2 GLN 3 -13.291 7.389 3.034 19 2HG GLN 3 HG1 GLN 3 -13.808 9.042 2.721 20 1HE2 GLN 3 HE21 GLN 3 -14.145 10.435 4.459 21 2HE2 GLN 3 HE22 GLN 3 -13.434 10.133 6.012 22 H TRP 4 HN TRP 4 -16.472 3.992 3.447 23 HA TRP 4 HA TRP 4 -13.920 2.936 2.602 24 1HB TRP 4 HB2 TRP 4 -16.677 1.693 2.740 25 2HB TRP 4 HB1 TRP 4 -15.235 0.824 2.223 26 HD1 TRP 4 HD1 TRP 4 -17.028 2.062 5.322 27 HE1 TRP 4 HE1 TRP 4 -15.827 1.159 7.415 28 HE3 TRP 4 HE3 TRP 4 -12.839 0.165 3.085 29 HZ2 TRP 4 HZ2 TRP 4 -13.419 -0.183 8.027 30 HZ3 TRP 4 HZ3 TRP 4 -11.132 -0.909 4.497 31 HH2 TRP 4 HH2 TRP 4 -11.416 -1.077 6.914 32 H LYS 5 HN LYS 5 -13.358 3.952 0.740 33 HA LYS 5 HA LYS 5 -15.208 4.292 -1.425 34 1HB LYS 5 HB2 LYS 5 -13.360 5.875 -0.964 35 2HB LYS 5 HB1 LYS 5 -12.202 4.619 -1.373 36 1HG LYS 5 HG2 LYS 5 -12.245 5.468 -3.426 37 2HG LYS 5 HG1 LYS 5 -13.821 4.694 -3.588 38 1HD LYS 5 HD2 LYS 5 -13.581 7.439 -2.410 39 2HD LYS 5 HD1 LYS 5 -13.567 7.217 -4.156 40 1HE LYS 5 HE2 LYS 5 -15.802 7.679 -3.609 41 2HE LYS 5 HE1 LYS 5 -15.741 5.937 -3.864 42 1HZ LYS 5 HZ1 LYS 5 -15.616 7.228 -1.189 43 2HZ LYS 5 HZ2 LYS 5 -15.790 5.573 -1.524 44 3HZ LYS 5 HZ3 LYS 5 -17.042 6.640 -1.896 45 H ASP 6 HN ASP 6 -15.835 2.664 -2.662 46 HA ASP 6 HA ASP 6 -14.500 0.219 -3.025 47 1HB ASP 6 HB2 ASP 6 -16.408 1.562 -4.959 48 2HB ASP 6 HB1 ASP 6 -16.029 -0.153 -4.891 49 H ILE 7 HN ILE 7 -12.542 -0.010 -3.913 50 HA ILE 7 HA ILE 7 -11.553 1.944 -5.829 51 HB ILE 7 HB ILE 7 -10.160 -0.518 -4.763 52 1HG1 ILE 7 HG12 ILE 7 -10.783 0.939 -2.907 53 2HG1 ILE 7 HG11 ILE 7 -9.045 1.009 -3.173 54 1HG2 ILE 7 HG21 ILE 7 -9.088 1.964 -6.099 55 2HG2 ILE 7 HG22 ILE 7 -9.173 0.350 -6.803 56 3HG2 ILE 7 HG23 ILE 7 -8.112 0.657 -5.430 57 1HD1 ILE 7 HD11 ILE 7 -9.329 3.129 -4.360 58 2HD1 ILE 7 HD12 ILE 7 -9.930 3.202 -2.704 59 3HD1 ILE 7 HD13 ILE 7 -11.063 3.056 -4.048 60 H CYS 8 HN CYS 8 -11.332 -1.579 -5.747 61 HA CYS 8 HA CYS 8 -12.652 -1.894 -8.280 62 1HB CYS 8 HB2 CYS 8 -10.703 -3.058 -9.332 63 2HB CYS 8 HB1 CYS 8 -10.449 -1.332 -9.110 64 HG CYS 8 HG CYS 8 -8.149 -3.104 -8.614 65 H LYS 9 HN LYS 9 -12.324 -4.441 -8.861 66 HA LYS 9 HA LYS 9 -13.120 -5.734 -6.383 67 1HB LYS 9 HB2 LYS 9 -13.204 -6.694 -9.244 68 2HB LYS 9 HB1 LYS 9 -13.725 -7.659 -7.866 69 1HG LYS 9 HG2 LYS 9 -15.310 -5.774 -7.306 70 2HG LYS 9 HG1 LYS 9 -14.922 -5.100 -8.889 71 1HD LYS 9 HD2 LYS 9 -16.960 -6.391 -9.022 72 2HD LYS 9 HD1 LYS 9 -15.686 -7.201 -9.933 73 1HE LYS 9 HE2 LYS 9 -15.341 -8.777 -8.151 74 2HE LYS 9 HE1 LYS 9 -16.453 -7.901 -7.103 75 1HZ LYS 9 HZ1 LYS 9 -18.277 -8.620 -8.294 76 2HZ LYS 9 HZ2 LYS 9 -17.274 -9.991 -8.328 77 3HZ LYS 9 HZ3 LYS 9 -17.376 -8.982 -9.682 78 H ILE 10 HN ILE 10 -12.347 -7.904 -5.860 79 HA ILE 10 HA ILE 10 -9.525 -7.926 -5.627 80 HB ILE 10 HB ILE 10 -11.155 -8.937 -3.999 81 1HG1 ILE 10 HG12 ILE 10 -9.706 -10.881 -3.437 82 2HG1 ILE 10 HG11 ILE 10 -8.897 -10.684 -4.988 83 1HG2 ILE 10 HG21 ILE 10 -11.896 -11.238 -4.374 84 2HG2 ILE 10 HG22 ILE 10 -11.240 -11.175 -6.010 85 3HG2 ILE 10 HG23 ILE 10 -12.579 -10.122 -5.558 86 1HD1 ILE 10 HD11 ILE 10 -7.607 -9.704 -3.180 87 2HD1 ILE 10 HD12 ILE 10 -8.964 -8.657 -2.768 88 3HD1 ILE 10 HD13 ILE 10 -8.143 -8.468 -4.317 89 H ASP 11 HN ASP 11 -11.555 -8.874 -8.117 90 HA ASP 11 HA ASP 11 -9.972 -10.934 -9.300 91 1HB ASP 11 HB2 ASP 11 -12.324 -10.728 -9.860 92 2HB ASP 11 HB1 ASP 11 -12.086 -9.082 -10.430 93 H ASP 12 HN ASP 12 -9.804 -7.512 -9.128 94 HA ASP 12 HA ASP 12 -8.131 -7.204 -11.467 95 1HB ASP 12 HB2 ASP 12 -9.664 -5.407 -10.963 96 2HB ASP 12 HB1 ASP 12 -9.015 -5.255 -9.334 97 H ILE 13 HN ILE 13 -7.780 -7.040 -7.974 98 HA ILE 13 HA ILE 13 -4.889 -6.730 -8.252 99 HB ILE 13 HB ILE 13 -6.490 -6.785 -5.691 100 1HG1 ILE 13 HG12 ILE 13 -5.554 -4.388 -7.290 101 2HG1 ILE 13 HG11 ILE 13 -7.223 -4.937 -7.169 102 1HG2 ILE 13 HG21 ILE 13 -3.709 -5.794 -6.317 103 2HG2 ILE 13 HG22 ILE 13 -4.114 -7.260 -5.422 104 3HG2 ILE 13 HG23 ILE 13 -4.514 -5.678 -4.750 105 1HD1 ILE 13 HD11 ILE 13 -6.771 -3.035 -5.708 106 2HD1 ILE 13 HD12 ILE 13 -5.531 -3.971 -4.874 107 3HD1 ILE 13 HD13 ILE 13 -7.220 -4.470 -4.786 108 H LEU 14 HN LEU 14 -3.998 -8.641 -8.743 109 HA LEU 14 HA LEU 14 -4.859 -11.086 -7.453 110 1HB LEU 14 HB2 LEU 14 -3.103 -12.138 -8.889 111 2HB LEU 14 HB1 LEU 14 -4.357 -11.298 -9.770 112 HG LEU 14 HG LEU 14 -1.706 -9.990 -9.204 113 1HD1 LEU 14 HD11 LEU 14 -1.234 -12.127 -10.287 114 2HD1 LEU 14 HD12 LEU 14 -0.943 -10.779 -11.385 115 3HD1 LEU 14 HD13 LEU 14 -2.405 -11.752 -11.551 116 1HD2 LEU 14 HD21 LEU 14 -2.256 -8.707 -11.199 117 2HD2 LEU 14 HD22 LEU 14 -3.547 -8.575 -10.005 118 3HD2 LEU 14 HD23 LEU 14 -3.743 -9.633 -11.403 119 HA PRO 15 HA PRO 15 -1.754 -11.627 -4.293 120 1HB PRO 15 HB2 PRO 15 -0.433 -13.772 -5.890 121 2HB PRO 15 HB1 PRO 15 -0.985 -13.793 -4.211 122 1HG PRO 15 HG2 PRO 15 -2.381 -15.043 -6.096 123 2HG PRO 15 HG1 PRO 15 -3.203 -14.150 -4.802 124 1HD PRO 15 HD2 PRO 15 -2.778 -13.387 -7.658 125 2HD PRO 15 HD1 PRO 15 -4.175 -13.089 -6.604 126 H GLU 16 HN GLU 16 0.133 -10.698 -3.786 127 HA GLU 16 HA GLU 16 1.859 -9.263 -4.015 128 1HB GLU 16 HB2 GLU 16 2.680 -11.358 -6.019 129 2HB GLU 16 HB1 GLU 16 3.720 -10.029 -5.526 130 1HG GLU 16 HG2 GLU 16 3.354 -10.860 -3.142 131 2HG GLU 16 HG1 GLU 16 2.715 -12.325 -3.886 132 H THR 17 HN THR 17 0.009 -7.957 -4.973 133 HA THR 17 HA THR 17 1.027 -6.738 -7.422 134 HB THR 17 HB THR 17 -1.896 -7.460 -7.111 135 HG1 THR 17 HG1 THR 17 -0.696 -9.336 -7.500 136 1HG2 THR 17 HG21 THR 17 -0.333 -6.344 -9.441 137 2HG2 THR 17 HG22 THR 17 -1.549 -5.489 -8.492 138 3HG2 THR 17 HG23 THR 17 -2.018 -6.862 -9.501 139 H GLY 18 HN GLY 18 0.852 -4.547 -7.401 140 1HA GLY 18 HA2 GLY 18 -0.762 -3.361 -5.233 141 2HA GLY 18 HA1 GLY 18 0.856 -2.789 -5.619 142 H VAL 19 HN VAL 19 -2.076 -1.732 -5.784 143 HA VAL 19 HA VAL 19 -1.831 -0.689 -8.530 144 HB VAL 19 HB VAL 19 -4.263 -0.388 -8.569 145 1HG1 VAL 19 HG11 VAL 19 -4.908 -2.747 -8.738 146 2HG1 VAL 19 HG12 VAL 19 -3.430 -3.204 -7.891 147 3HG1 VAL 19 HG13 VAL 19 -3.336 -2.443 -9.479 148 1HG2 VAL 19 HG21 VAL 19 -4.256 -1.806 -5.906 149 2HG2 VAL 19 HG22 VAL 19 -5.686 -1.361 -6.838 150 3HG2 VAL 19 HG23 VAL 19 -4.642 -0.105 -6.170 151 H CYS 20 HN CYS 20 -2.984 1.454 -8.783 152 HA CYS 20 HA CYS 20 -2.338 3.171 -6.492 153 1HB CYS 20 HB2 CYS 20 -1.180 3.678 -8.626 154 2HB CYS 20 HB1 CYS 20 -2.741 3.915 -9.401 155 HG CYS 20 HG CYS 20 -2.025 6.460 -9.110 156 H ALA 21 HN ALA 21 -3.928 4.170 -5.420 157 HA ALA 21 HA ALA 21 -6.594 4.273 -6.667 158 1HB ALA 21 HB1 ALA 21 -5.992 3.596 -3.786 159 2HB ALA 21 HB2 ALA 21 -6.529 2.463 -5.026 160 3HB ALA 21 HB3 ALA 21 -7.597 3.762 -4.500 161 H LEU 22 HN LEU 22 -7.808 6.088 -6.257 162 HA LEU 22 HA LEU 22 -6.363 8.279 -4.941 163 1HB LEU 22 HB2 LEU 22 -8.582 8.370 -6.987 164 2HB LEU 22 HB1 LEU 22 -7.852 9.778 -6.241 165 HG LEU 22 HG LEU 22 -6.446 7.802 -8.046 166 1HD1 LEU 22 HD11 LEU 22 -6.323 9.677 -9.607 167 2HD1 LEU 22 HD12 LEU 22 -7.262 10.672 -8.491 168 3HD1 LEU 22 HD13 LEU 22 -7.997 9.253 -9.240 169 1HD2 LEU 22 HD21 LEU 22 -4.950 8.682 -6.332 170 2HD2 LEU 22 HD22 LEU 22 -5.423 10.328 -6.752 171 3HD2 LEU 22 HD23 LEU 22 -4.551 9.336 -7.921 172 H LEU 23 HN LEU 23 -6.979 8.458 -2.902 173 HA LEU 23 HA LEU 23 -9.780 8.032 -2.169 174 1HB LEU 23 HB2 LEU 23 -7.961 7.023 -0.801 175 2HB LEU 23 HB1 LEU 23 -7.387 8.634 -0.421 176 HG LEU 23 HG LEU 23 -9.607 9.087 0.658 177 1HD1 LEU 23 HD11 LEU 23 -10.927 7.391 -0.474 178 2HD1 LEU 23 HD12 LEU 23 -10.979 7.153 1.275 179 3HD1 LEU 23 HD13 LEU 23 -9.961 6.118 0.274 180 1HD2 LEU 23 HD21 LEU 23 -9.086 7.806 2.682 181 2HD2 LEU 23 HD22 LEU 23 -7.644 8.530 1.971 182 3HD2 LEU 23 HD23 LEU 23 -7.963 6.809 1.753 183 H GLY 24 HN GLY 24 -10.808 9.830 -2.969 184 1HA GLY 24 HA2 GLY 24 -11.560 12.010 -2.962 185 2HA GLY 24 HA1 GLY 24 -10.522 12.306 -1.570 186 H ASP 25 HN ASP 25 -8.425 13.043 -1.878 187 HA ASP 25 HA ASP 25 -7.612 13.607 -4.650 188 1HB ASP 25 HB2 ASP 25 -6.821 15.783 -4.073 189 2HB ASP 25 HB1 ASP 25 -8.457 15.664 -3.435 190 H GLU 26 HN GLU 26 -6.991 11.886 -1.996 191 HA GLU 26 HA GLU 26 -4.095 12.281 -1.925 192 1HB GLU 26 HB2 GLU 26 -6.022 10.741 -0.189 193 2HB GLU 26 HB1 GLU 26 -4.277 10.588 -0.026 194 1HG GLU 26 HG2 GLU 26 -5.673 13.237 0.136 195 2HG GLU 26 HG1 GLU 26 -5.457 12.193 1.542 196 H GLN 27 HN GLN 27 -2.742 10.964 -2.990 197 HA GLN 27 HA GLN 27 -3.727 8.630 -4.349 198 1HB GLN 27 HB2 GLN 27 -0.905 9.662 -4.002 199 2HB GLN 27 HB1 GLN 27 -1.363 8.323 -5.044 200 1HG GLN 27 HG2 GLN 27 -2.843 9.924 -6.285 201 2HG GLN 27 HG1 GLN 27 -2.116 11.218 -5.332 202 1HE2 GLN 27 HE21 GLN 27 -2.049 10.766 -8.214 203 2HE2 GLN 27 HE22 GLN 27 -0.377 10.666 -8.637 204 H VAL 28 HN VAL 28 -3.888 6.668 -3.520 205 HA VAL 28 HA VAL 28 -2.185 5.964 -1.215 206 HB VAL 28 HB VAL 28 -5.012 4.996 -1.694 207 1HG1 VAL 28 HG11 VAL 28 -3.646 3.367 -0.525 208 2HG1 VAL 28 HG12 VAL 28 -4.830 4.073 0.573 209 3HG1 VAL 28 HG13 VAL 28 -3.145 4.592 0.642 210 1HG2 VAL 28 HG21 VAL 28 -5.000 7.358 -1.080 211 2HG2 VAL 28 HG22 VAL 28 -3.997 6.994 0.325 212 3HG2 VAL 28 HG23 VAL 28 -5.643 6.366 0.230 213 H ALA 29 HN ALA 29 -1.176 4.009 -1.293 214 HA ALA 29 HA ALA 29 -1.441 2.515 -3.803 215 1HB ALA 29 HB1 ALA 29 0.794 3.351 -3.261 216 2HB ALA 29 HB2 ALA 29 0.752 1.588 -3.279 217 3HB ALA 29 HB3 ALA 29 0.760 2.452 -1.743 218 H ILE 30 HN ILE 30 -2.589 0.717 -3.758 219 HA ILE 30 HA ILE 30 -2.950 -0.672 -1.194 220 HB ILE 30 HB ILE 30 -4.546 -0.973 -3.749 221 1HG1 ILE 30 HG12 ILE 30 -5.249 0.418 -1.150 222 2HG1 ILE 30 HG11 ILE 30 -4.877 1.221 -2.671 223 1HG2 ILE 30 HG21 ILE 30 -4.984 -2.117 -0.988 224 2HG2 ILE 30 HG22 ILE 30 -4.528 -3.017 -2.435 225 3HG2 ILE 30 HG23 ILE 30 -6.112 -2.248 -2.337 226 1HD1 ILE 30 HD11 ILE 30 -7.267 1.157 -2.260 227 2HD1 ILE 30 HD12 ILE 30 -7.215 -0.604 -2.172 228 3HD1 ILE 30 HD13 ILE 30 -6.843 0.215 -3.690 229 H PHE 31 HN PHE 31 -1.658 -2.323 -0.877 230 HA PHE 31 HA PHE 31 -0.747 -3.881 -3.204 231 1HB PHE 31 HB2 PHE 31 0.577 -3.510 -0.506 232 2HB PHE 31 HB1 PHE 31 1.171 -4.569 -1.779 233 HD1 PHE 31 HD1 PHE 31 1.842 -3.515 -3.988 234 HD2 PHE 31 HD2 PHE 31 1.169 -1.263 -0.443 235 HE1 PHE 31 HE1 PHE 31 3.144 -1.654 -4.930 236 HE2 PHE 31 HE2 PHE 31 2.467 0.605 -1.381 237 HZ PHE 31 HZ PHE 31 3.455 0.414 -3.626 238 H ARG 32 HN ARG 32 -1.391 -5.923 -3.337 239 HA ARG 32 HA ARG 32 -2.431 -7.239 -0.923 240 1HB ARG 32 HB2 ARG 32 -3.907 -7.302 -2.879 241 2HB ARG 32 HB1 ARG 32 -2.621 -8.001 -3.851 242 1HG ARG 32 HG2 ARG 32 -2.671 -10.013 -2.446 243 2HG ARG 32 HG1 ARG 32 -3.987 -9.307 -1.505 244 1HD ARG 32 HD2 ARG 32 -5.406 -9.251 -3.464 245 2HD ARG 32 HD1 ARG 32 -4.084 -9.836 -4.474 246 HE ARG 32 HE ARG 32 -4.565 -11.669 -2.385 247 1HH1 ARG 32 HH11 ARG 32 -6.055 -10.507 -5.344 248 2HH1 ARG 32 HH12 ARG 32 -6.872 -12.004 -5.660 249 1HH2 ARG 32 HH21 ARG 32 -5.621 -13.644 -2.822 250 2HH2 ARG 32 HH22 ARG 32 -6.620 -13.790 -4.233 251 HA PRO 33 HA PRO 33 1.620 -9.232 -1.264 252 1HB PRO 33 HB2 PRO 33 2.265 -9.165 1.305 253 2HB PRO 33 HB1 PRO 33 2.245 -7.679 0.351 254 1HG PRO 33 HG2 PRO 33 0.277 -8.665 2.357 255 2HG PRO 33 HG1 PRO 33 0.775 -7.005 1.989 256 1HD PRO 33 HD2 PRO 33 -1.537 -8.339 1.038 257 2HD PRO 33 HD1 PRO 33 -0.914 -6.770 0.494 258 H TYR 34 HN TYR 34 -1.290 -10.247 0.044 259 HA TYR 34 HA TYR 34 -0.184 -12.845 0.832 260 1HB TYR 34 HB2 TYR 34 -2.728 -11.424 1.571 261 2HB TYR 34 HB1 TYR 34 -2.584 -13.167 1.755 262 HD1 TYR 34 HD1 TYR 34 -0.839 -14.092 3.293 263 HD2 TYR 34 HD2 TYR 34 -1.769 -9.943 3.157 264 HE1 TYR 34 HE1 TYR 34 0.211 -13.792 5.495 265 HE2 TYR 34 HE2 TYR 34 -0.717 -9.631 5.358 266 HH TYR 34 HH TYR 34 -0.216 -11.065 7.377 267 H HIS 35 HN HIS 35 -1.184 -14.745 0.088 268 HA HIS 35 HA HIS 35 -2.125 -14.644 -2.609 269 1HB HIS 35 HB2 HIS 35 -0.791 -16.522 -1.315 270 2HB HIS 35 HB1 HIS 35 -2.401 -17.079 -0.874 271 HD1 HIS 35 HD1 HIS 35 0.107 -17.471 -3.397 272 HD2 HIS 35 HD2 HIS 35 -4.049 -17.539 -3.329 273 HE1 HIS 35 HE1 HIS 35 -0.584 -18.668 -5.493 274 HE2 HIS 35 HE2 HIS 35 -3.086 -18.892 -5.316 275 H SER 36 HN SER 36 -3.526 -14.604 0.518 276 HA SER 36 HA SER 36 -6.180 -15.346 -0.347 277 1HB SER 36 HB2 SER 36 -6.724 -14.685 2.065 278 2HB SER 36 HB1 SER 36 -5.614 -16.041 1.851 279 HG SER 36 HG SER 36 -4.800 -14.616 3.402 280 H ASP 37 HN ASP 37 -7.664 -13.495 1.208 281 HA ASP 37 HA ASP 37 -7.811 -11.366 -0.759 282 1HB ASP 37 HB2 ASP 37 -9.972 -10.886 0.198 283 2HB ASP 37 HB1 ASP 37 -9.826 -12.631 0.017 284 H GLN 38 HN GLN 38 -5.761 -11.551 1.569 285 HA GLN 38 HA GLN 38 -6.450 -9.244 3.170 286 1HB GLN 38 HB2 GLN 38 -3.963 -10.958 3.139 287 2HB GLN 38 HB1 GLN 38 -4.293 -9.680 4.300 288 1HG GLN 38 HG2 GLN 38 -5.875 -12.214 3.930 289 2HG GLN 38 HG1 GLN 38 -4.782 -11.837 5.262 290 1HE2 GLN 38 HE21 GLN 38 -7.901 -11.260 3.854 291 2HE2 GLN 38 HE22 GLN 38 -8.574 -10.389 5.192 292 H VAL 39 HN VAL 39 -6.223 -7.309 2.344 293 HA VAL 39 HA VAL 39 -3.836 -6.692 0.734 294 HB VAL 39 HB VAL 39 -5.155 -4.924 -0.373 295 1HG1 VAL 39 HG11 VAL 39 -6.392 -7.668 -0.571 296 2HG1 VAL 39 HG12 VAL 39 -4.967 -7.100 -1.440 297 3HG1 VAL 39 HG13 VAL 39 -6.544 -6.382 -1.768 298 1HG2 VAL 39 HG21 VAL 39 -7.583 -4.852 -0.143 299 2HG2 VAL 39 HG22 VAL 39 -6.799 -4.525 1.402 300 3HG2 VAL 39 HG23 VAL 39 -7.515 -6.106 1.093 301 H PHE 40 HN PHE 40 -2.908 -4.590 1.043 302 HA PHE 40 HA PHE 40 -3.792 -3.175 3.465 303 1HB PHE 40 HB2 PHE 40 -0.965 -3.996 2.779 304 2HB PHE 40 HB1 PHE 40 -1.349 -2.784 3.996 305 HD1 PHE 40 HD1 PHE 40 -1.290 -6.328 3.194 306 HD2 PHE 40 HD2 PHE 40 -2.469 -3.421 6.069 307 HE1 PHE 40 HE1 PHE 40 -1.552 -8.104 4.876 308 HE2 PHE 40 HE2 PHE 40 -2.732 -5.190 7.756 309 HZ PHE 40 HZ PHE 40 -2.273 -7.537 7.160 310 H ALA 41 HN ALA 41 -3.502 -0.952 3.442 311 HA ALA 41 HA ALA 41 -2.616 0.167 0.867 312 1HB ALA 41 HB1 ALA 41 -4.860 1.149 2.629 313 2HB ALA 41 HB2 ALA 41 -5.034 0.327 1.078 314 3HB ALA 41 HB3 ALA 41 -4.298 1.929 1.151 315 H ILE 42 HN ILE 42 -1.195 1.780 0.916 316 HA ILE 42 HA ILE 42 -0.764 3.245 3.428 317 HB ILE 42 HB ILE 42 1.696 3.296 2.918 318 1HG1 ILE 42 HG12 ILE 42 0.997 1.031 1.041 319 2HG1 ILE 42 HG11 ILE 42 1.552 2.628 0.552 320 1HG2 ILE 42 HG21 ILE 42 0.504 0.595 3.520 321 2HG2 ILE 42 HG22 ILE 42 0.832 1.880 4.684 322 3HG2 ILE 42 HG23 ILE 42 2.167 1.078 3.856 323 1HD1 ILE 42 HD11 ILE 42 3.348 1.005 0.443 324 2HD1 ILE 42 HD12 ILE 42 3.124 0.617 2.149 325 3HD1 ILE 42 HD13 ILE 42 3.683 2.221 1.675 326 H SER 43 HN SER 43 0.343 5.352 3.039 327 HA SER 43 HA SER 43 -0.802 6.797 0.946 328 1HB SER 43 HB2 SER 43 0.148 7.781 3.055 329 2HB SER 43 HB1 SER 43 1.760 7.518 2.391 330 HG SER 43 HG SER 43 -0.235 9.331 1.593 331 H ASN 44 HN ASN 44 -0.170 7.296 -1.089 332 HA ASN 44 HA ASN 44 1.875 5.521 -2.184 333 1HB ASN 44 HB2 ASN 44 -0.541 5.687 -3.033 334 2HB ASN 44 HB1 ASN 44 -0.066 7.226 -3.737 335 1HD2 ASN 44 HD21 ASN 44 -0.581 6.347 -5.774 336 2HD2 ASN 44 HD22 ASN 44 0.510 5.283 -6.580 337 H ILE 45 HN ILE 45 2.052 8.353 -0.865 338 HA ILE 45 HA ILE 45 4.056 9.381 -2.778 339 HB ILE 45 HB ILE 45 2.169 10.974 -1.003 340 1HG1 ILE 45 HG12 ILE 45 1.189 10.224 -3.131 341 2HG1 ILE 45 HG11 ILE 45 1.384 11.972 -3.091 342 1HG2 ILE 45 HG21 ILE 45 4.466 11.977 -2.676 343 2HG2 ILE 45 HG22 ILE 45 4.380 11.970 -0.914 344 3HG2 ILE 45 HG23 ILE 45 3.282 12.987 -1.845 345 1HD1 ILE 45 HD11 ILE 45 1.991 11.063 -5.256 346 2HD1 ILE 45 HD12 ILE 45 3.201 10.030 -4.496 347 3HD1 ILE 45 HD13 ILE 45 3.390 11.782 -4.460 348 H ASP 46 HN ASP 46 6.073 9.734 -1.815 349 HA ASP 46 HA ASP 46 6.489 9.001 0.932 350 1HB ASP 46 HB2 ASP 46 8.263 9.949 -1.275 351 2HB ASP 46 HB1 ASP 46 8.842 10.087 0.380 352 HA PRO 47 HA PRO 47 5.601 13.002 2.530 353 1HB PRO 47 HB2 PRO 47 6.203 12.516 5.126 354 2HB PRO 47 HB1 PRO 47 4.741 11.916 4.343 355 1HG PRO 47 HG2 PRO 47 7.259 10.482 5.012 356 2HG PRO 47 HG1 PRO 47 5.588 9.891 5.016 357 1HD PRO 47 HD2 PRO 47 7.454 9.415 3.019 358 2HD PRO 47 HD1 PRO 47 5.695 9.280 2.829 359 H PHE 48 HN PHE 48 8.601 11.576 3.885 360 HA PHE 48 HA PHE 48 9.694 14.263 4.173 361 1HB PHE 48 HB2 PHE 48 10.002 12.698 6.021 362 2HB PHE 48 HB1 PHE 48 10.800 11.552 4.951 363 HD1 PHE 48 HD1 PHE 48 13.106 11.588 4.728 364 HD2 PHE 48 HD2 PHE 48 11.115 15.004 6.303 365 HE1 PHE 48 HE1 PHE 48 15.281 12.605 5.264 366 HE2 PHE 48 HE2 PHE 48 13.287 16.027 6.842 367 HZ PHE 48 HZ PHE 48 15.374 14.825 6.320 368 H PHE 49 HN PHE 49 10.303 11.281 2.413 369 HA PHE 49 HA PHE 49 12.668 12.215 1.111 370 1HB PHE 49 HB2 PHE 49 12.189 9.819 1.454 371 2HB PHE 49 HB1 PHE 49 10.809 9.942 0.369 372 HD1 PHE 49 HD1 PHE 49 11.079 9.415 -1.850 373 HD2 PHE 49 HD2 PHE 49 14.489 10.528 0.436 374 HE1 PHE 49 HE1 PHE 49 12.528 8.886 -3.767 375 HE2 PHE 49 HE2 PHE 49 15.947 10.004 -1.476 376 HZ PHE 49 HZ PHE 49 14.967 9.183 -3.581 377 H GLU 50 HN GLU 50 9.292 12.468 0.515 378 HA GLU 50 HA GLU 50 8.023 13.499 -1.039 379 1HB GLU 50 HB2 GLU 50 9.620 15.376 -0.496 380 2HB GLU 50 HB1 GLU 50 10.533 14.921 -1.927 381 1HG GLU 50 HG2 GLU 50 9.101 16.768 -2.452 382 2HG GLU 50 HG1 GLU 50 8.529 15.331 -3.300 383 H SER 51 HN SER 51 7.751 11.490 -2.049 384 HA SER 51 HA SER 51 8.891 11.373 -4.736 385 1HB SER 51 HB2 SER 51 10.236 9.815 -3.425 386 2HB SER 51 HB1 SER 51 8.783 9.056 -2.785 387 HG SER 51 HG SER 51 9.031 7.761 -4.400 388 H SER 52 HN SER 52 7.578 9.846 -6.110 389 HA SER 52 HA SER 52 4.791 10.437 -5.532 390 1HB SER 52 HB2 SER 52 6.126 9.504 -8.079 391 2HB SER 52 HB1 SER 52 4.442 10.009 -7.924 392 HG SER 52 HG SER 52 6.123 11.872 -6.896 393 H VAL 53 HN VAL 53 4.340 8.212 -7.658 394 HA VAL 53 HA VAL 53 3.035 6.578 -5.787 395 HB VAL 53 HB VAL 53 2.240 5.287 -7.704 396 1HG1 VAL 53 HG11 VAL 53 2.267 8.263 -8.188 397 2HG1 VAL 53 HG12 VAL 53 1.122 7.373 -7.185 398 3HG1 VAL 53 HG13 VAL 53 1.148 7.119 -8.930 399 1HG2 VAL 53 HG21 VAL 53 4.300 5.237 -9.028 400 2HG2 VAL 53 HG22 VAL 53 4.139 6.962 -9.351 401 3HG2 VAL 53 HG23 VAL 53 2.942 5.832 -9.982 402 H LEU 54 HN LEU 54 3.509 4.787 -4.853 403 HA LEU 54 HA LEU 54 6.089 3.501 -5.303 404 1HB LEU 54 HB2 LEU 54 4.036 2.901 -3.178 405 2HB LEU 54 HB1 LEU 54 5.738 2.480 -3.170 406 HG LEU 54 HG LEU 54 4.686 5.306 -3.035 407 1HD1 LEU 54 HD11 LEU 54 4.052 4.074 -1.045 408 2HD1 LEU 54 HD12 LEU 54 5.334 5.227 -0.674 409 3HD1 LEU 54 HD13 LEU 54 5.709 3.510 -0.841 410 1HD2 LEU 54 HD21 LEU 54 6.919 5.121 -4.001 411 2HD2 LEU 54 HD22 LEU 54 7.451 4.177 -2.610 412 3HD2 LEU 54 HD23 LEU 54 6.978 5.863 -2.401 413 H SER 55 HN SER 55 2.979 3.111 -6.408 414 HA SER 55 HA SER 55 2.452 0.376 -6.008 415 1HB SER 55 HB2 SER 55 1.417 2.134 -8.237 416 2HB SER 55 HB1 SER 55 0.663 0.668 -7.607 417 HG SER 55 HG SER 55 -0.131 1.775 -5.999 418 H ARG 56 HN ARG 56 4.953 1.515 -7.769 419 HA ARG 56 HA ARG 56 4.689 -0.572 -9.827 420 1HB ARG 56 HB2 ARG 56 4.915 1.889 -10.529 421 2HB ARG 56 HB1 ARG 56 6.585 1.761 -9.997 422 1HG ARG 56 HG2 ARG 56 6.433 1.432 -12.390 423 2HG ARG 56 HG1 ARG 56 6.961 -0.053 -11.601 424 1HD ARG 56 HD2 ARG 56 4.086 0.465 -12.329 425 2HD ARG 56 HD1 ARG 56 5.223 -0.286 -13.445 426 HE ARG 56 HE ARG 56 5.263 -1.668 -10.990 427 1HH1 ARG 56 HH11 ARG 56 3.172 -1.178 -13.769 428 2HH1 ARG 56 HH12 ARG 56 2.398 -2.723 -13.609 429 1HH2 ARG 56 HH21 ARG 56 4.246 -3.698 -10.780 430 2HH2 ARG 56 HH22 ARG 56 3.013 -4.170 -11.915 431 H GLY 57 HN GLY 57 5.452 -1.298 -7.280 432 1HA GLY 57 HA2 GLY 57 8.276 -2.020 -7.704 433 2HA GLY 57 HA1 GLY 57 7.743 -1.409 -6.144 434 H LEU 58 HN LEU 58 8.953 -3.838 -6.243 435 HA LEU 58 HA LEU 58 6.913 -5.908 -6.500 436 1HB LEU 58 HB2 LEU 58 8.727 -7.504 -6.285 437 2HB LEU 58 HB1 LEU 58 9.108 -6.318 -7.516 438 HG LEU 58 HG LEU 58 10.162 -5.953 -4.732 439 1HD1 LEU 58 HD11 LEU 58 11.430 -7.663 -6.870 440 2HD1 LEU 58 HD12 LEU 58 10.703 -8.262 -5.379 441 3HD1 LEU 58 HD13 LEU 58 12.138 -7.239 -5.312 442 1HD2 LEU 58 HD21 LEU 58 10.412 -4.131 -6.354 443 2HD2 LEU 58 HD22 LEU 58 11.222 -5.233 -7.469 444 3HD2 LEU 58 HD23 LEU 58 11.976 -4.830 -5.927 445 H ILE 59 HN ILE 59 6.781 -7.596 -4.811 446 HA ILE 59 HA ILE 59 6.999 -6.370 -2.139 447 HB ILE 59 HB ILE 59 5.129 -8.566 -3.060 448 1HG1 ILE 59 HG12 ILE 59 4.564 -5.682 -2.324 449 2HG1 ILE 59 HG11 ILE 59 4.579 -6.324 -3.962 450 1HG2 ILE 59 HG21 ILE 59 5.344 -7.152 -0.401 451 2HG2 ILE 59 HG22 ILE 59 5.739 -8.839 -0.726 452 3HG2 ILE 59 HG23 ILE 59 4.071 -8.286 -0.854 453 1HD1 ILE 59 HD11 ILE 59 2.315 -6.062 -3.116 454 2HD1 ILE 59 HD12 ILE 59 2.684 -7.146 -1.774 455 3HD1 ILE 59 HD13 ILE 59 2.689 -7.757 -3.429 456 H ALA 60 HN ALA 60 8.330 -7.283 -0.702 457 HA ALA 60 HA ALA 60 9.274 -10.024 -1.200 458 1HB ALA 60 HB1 ALA 60 11.046 -7.696 -0.468 459 2HB ALA 60 HB2 ALA 60 10.933 -8.426 -2.069 460 3HB ALA 60 HB3 ALA 60 11.558 -9.366 -0.712 461 H GLU 61 HN GLU 61 8.809 -11.219 0.491 462 HA GLU 61 HA GLU 61 8.484 -10.109 3.139 463 1HB GLU 61 HB2 GLU 61 7.033 -11.923 2.496 464 2HB GLU 61 HB1 GLU 61 8.405 -12.930 2.051 465 1HG GLU 61 HG2 GLU 61 9.100 -12.850 4.469 466 2HG GLU 61 HG1 GLU 61 7.537 -12.104 4.807 467 H HIS 62 HN HIS 62 10.091 -9.901 4.617 468 HA HIS 62 HA HIS 62 12.740 -10.852 3.958 469 1HB HIS 62 HB2 HIS 62 11.642 -9.272 6.274 470 2HB HIS 62 HB1 HIS 62 13.301 -9.855 6.257 471 HD1 HIS 62 HD1 HIS 62 12.267 -6.816 6.185 472 HD2 HIS 62 HD2 HIS 62 13.803 -9.028 3.015 473 HE1 HIS 62 HE1 HIS 62 13.194 -5.126 4.561 474 HE2 HIS 62 HE2 HIS 62 14.048 -6.480 2.613 475 H GLN 63 HN GLN 63 11.302 -11.030 7.178 476 HA GLN 63 HA GLN 63 12.117 -13.871 7.266 477 1HB GLN 63 HB2 GLN 63 11.831 -12.032 9.644 478 2HB GLN 63 HB1 GLN 63 12.615 -13.603 9.587 479 1HG GLN 63 HG2 GLN 63 13.590 -11.065 8.297 480 2HG GLN 63 HG1 GLN 63 14.259 -11.847 9.725 481 1HE2 GLN 63 HE21 GLN 63 15.495 -11.160 7.156 482 2HE2 GLN 63 HE22 GLN 63 16.143 -12.646 6.544 483 H GLY 64 HN GLY 64 9.577 -11.685 7.405 484 1HA GLY 64 HA2 GLY 64 7.510 -13.526 7.675 485 2HA GLY 64 HA1 GLY 64 7.854 -12.915 9.289 486 H GLU 65 HN GLU 65 8.713 -10.317 8.168 487 HA GLU 65 HA GLU 65 6.085 -9.118 7.919 488 1HB GLU 65 HB2 GLU 65 8.058 -7.124 7.663 489 2HB GLU 65 HB1 GLU 65 7.074 -7.477 9.074 490 1HG GLU 65 HG2 GLU 65 9.341 -7.432 9.766 491 2HG GLU 65 HG1 GLU 65 8.813 -9.112 9.792 492 H LEU 66 HN LEU 66 5.450 -7.837 6.198 493 HA LEU 66 HA LEU 66 6.652 -8.680 3.668 494 1HB LEU 66 HB2 LEU 66 3.920 -7.550 4.285 495 2HB LEU 66 HB1 LEU 66 4.464 -8.081 2.703 496 HG LEU 66 HG LEU 66 4.405 -9.951 5.059 497 1HD1 LEU 66 HD11 LEU 66 2.157 -9.119 4.841 498 2HD1 LEU 66 HD12 LEU 66 2.239 -10.757 4.192 499 3HD1 LEU 66 HD13 LEU 66 2.194 -9.377 3.099 500 1HD2 LEU 66 HD21 LEU 66 4.302 -11.647 3.296 501 2HD2 LEU 66 HD22 LEU 66 5.741 -10.639 3.149 502 3HD2 LEU 66 HD23 LEU 66 4.366 -10.375 2.075 503 H TRP 67 HN TRP 67 7.912 -7.287 2.680 504 HA TRP 67 HA TRP 67 7.450 -4.407 3.088 505 1HB TRP 67 HB2 TRP 67 10.004 -5.902 2.458 506 2HB TRP 67 HB1 TRP 67 9.863 -4.150 2.447 507 HD1 TRP 67 HD1 TRP 67 9.359 -7.052 4.985 508 HE1 TRP 67 HE1 TRP 67 10.136 -6.220 7.296 509 HE3 TRP 67 HE3 TRP 67 10.496 -2.220 3.760 510 HZ2 TRP 67 HZ2 TRP 67 11.091 -3.822 8.440 511 HZ3 TRP 67 HZ3 TRP 67 11.333 -0.722 5.525 512 HH2 TRP 67 HH2 TRP 67 11.621 -1.508 7.815 513 H VAL 68 HN VAL 68 7.203 -3.115 1.330 514 HA VAL 68 HA VAL 68 7.364 -4.394 -1.306 515 HB VAL 68 HB VAL 68 5.231 -3.297 -0.877 516 1HG1 VAL 68 HG11 VAL 68 6.831 -0.776 -0.482 517 2HG1 VAL 68 HG12 VAL 68 5.910 -1.641 0.748 518 3HG1 VAL 68 HG13 VAL 68 5.074 -0.865 -0.597 519 1HG2 VAL 68 HG21 VAL 68 5.148 -1.813 -2.837 520 2HG2 VAL 68 HG22 VAL 68 6.030 -3.304 -3.161 521 3HG2 VAL 68 HG23 VAL 68 6.911 -1.803 -2.887 522 H ALA 69 HN ALA 69 8.814 -3.748 -2.805 523 HA ALA 69 HA ALA 69 10.842 -1.838 -1.854 524 1HB ALA 69 HB1 ALA 69 11.202 -4.174 -3.727 525 2HB ALA 69 HB2 ALA 69 11.627 -4.155 -2.016 526 3HB ALA 69 HB3 ALA 69 12.472 -3.097 -3.146 527 H SER 70 HN SER 70 10.793 0.022 -2.870 528 HA SER 70 HA SER 70 9.719 0.234 -5.564 529 1HB SER 70 HB2 SER 70 10.770 2.399 -3.720 530 2HB SER 70 HB1 SER 70 9.840 2.644 -5.200 531 HG SER 70 HG SER 70 8.694 2.666 -3.067 532 HA PRO 71 HA PRO 71 13.839 -0.229 -7.242 533 1HB PRO 71 HB2 PRO 71 12.561 0.698 -9.735 534 2HB PRO 71 HB1 PRO 71 13.401 -0.818 -9.400 535 1HG PRO 71 HG2 PRO 71 10.742 -0.740 -9.694 536 2HG PRO 71 HG1 PRO 71 11.513 -1.827 -8.522 537 1HD PRO 71 HD2 PRO 71 10.144 0.799 -8.057 538 2HD PRO 71 HD1 PRO 71 10.057 -0.699 -7.107 539 H LEU 72 HN LEU 72 12.084 2.585 -6.876 540 HA LEU 72 HA LEU 72 13.427 4.524 -8.346 541 1HB LEU 72 HB2 LEU 72 12.322 4.777 -5.545 542 2HB LEU 72 HB1 LEU 72 12.648 6.101 -6.647 543 HG LEU 72 HG LEU 72 10.632 3.937 -7.239 544 1HD1 LEU 72 HD11 LEU 72 9.979 5.100 -5.199 545 2HD1 LEU 72 HD12 LEU 72 8.923 5.534 -6.541 546 3HD1 LEU 72 HD13 LEU 72 10.178 6.653 -6.009 547 1HD2 LEU 72 HD21 LEU 72 11.470 5.164 -9.176 548 2HD2 LEU 72 HD22 LEU 72 11.070 6.692 -8.386 549 3HD2 LEU 72 HD23 LEU 72 9.785 5.574 -8.845 550 H LYS 73 HN LYS 73 14.093 3.338 -5.070 551 HA LYS 73 HA LYS 73 16.876 4.218 -5.312 552 1HB LYS 73 HB2 LYS 73 14.887 5.089 -3.231 553 2HB LYS 73 HB1 LYS 73 16.598 5.000 -2.840 554 1HG LYS 73 HG2 LYS 73 15.603 6.574 -5.191 555 2HG LYS 73 HG1 LYS 73 15.660 7.255 -3.563 556 1HD LYS 73 HD2 LYS 73 18.005 6.089 -5.065 557 2HD LYS 73 HD1 LYS 73 17.674 7.811 -4.854 558 1HE LYS 73 HE2 LYS 73 17.852 7.541 -2.425 559 2HE LYS 73 HE1 LYS 73 18.193 5.826 -2.641 560 1HZ LYS 73 HZ1 LYS 73 20.203 6.416 -3.850 561 2HZ LYS 73 HZ2 LYS 73 20.214 7.085 -2.293 562 3HZ LYS 73 HZ3 LYS 73 19.871 8.068 -3.629 563 H LYS 74 HN LYS 74 15.342 1.619 -5.233 564 HA LYS 74 HA LYS 74 15.332 -0.429 -4.218 565 1HB LYS 74 HB2 LYS 74 17.793 0.578 -2.760 566 2HB LYS 74 HB1 LYS 74 17.312 -1.102 -2.966 567 1HG LYS 74 HG2 LYS 74 17.797 -1.073 -5.266 568 2HG LYS 74 HG1 LYS 74 17.885 0.688 -5.304 569 1HD LYS 74 HD2 LYS 74 19.865 0.505 -3.752 570 2HD LYS 74 HD1 LYS 74 19.834 -1.234 -4.053 571 1HE LYS 74 HE2 LYS 74 20.232 -0.906 -6.385 572 2HE LYS 74 HE1 LYS 74 20.012 0.836 -6.234 573 1HZ LYS 74 HZ1 LYS 74 22.243 -0.799 -5.160 574 2HZ LYS 74 HZ2 LYS 74 21.980 0.817 -4.729 575 3HZ LYS 74 HZ3 LYS 74 22.321 0.417 -6.342 576 H GLN 75 HN GLN 75 13.765 1.555 -3.298 577 HA GLN 75 HA GLN 75 14.031 2.167 -0.529 578 1HB GLN 75 HB2 GLN 75 13.093 3.643 -2.307 579 2HB GLN 75 HB1 GLN 75 11.715 2.564 -2.423 580 1HG GLN 75 HG2 GLN 75 11.091 3.088 -0.140 581 2HG GLN 75 HG1 GLN 75 12.499 4.145 0.007 582 1HE2 GLN 75 HE21 GLN 75 11.189 5.939 0.401 583 2HE2 GLN 75 HE22 GLN 75 10.233 6.683 -0.840 584 H ARG 76 HN ARG 76 12.685 1.479 1.193 585 HA ARG 76 HA ARG 76 11.232 -1.029 0.644 586 1HB ARG 76 HB2 ARG 76 13.244 -0.515 2.837 587 2HB ARG 76 HB1 ARG 76 12.223 -1.943 2.743 588 1HG ARG 76 HG2 ARG 76 13.557 -2.923 1.251 589 2HG ARG 76 HG1 ARG 76 13.692 -1.456 0.281 590 1HD ARG 76 HD2 ARG 76 15.223 -1.980 2.829 591 2HD ARG 76 HD1 ARG 76 15.860 -2.235 1.205 592 HE ARG 76 HE ARG 76 14.961 0.380 1.288 593 1HH1 ARG 76 HH11 ARG 76 17.407 -1.563 2.866 594 2HH1 ARG 76 HH12 ARG 76 18.436 -0.204 3.221 595 1HH2 ARG 76 HH21 ARG 76 16.303 2.154 1.703 596 2HH2 ARG 76 HH22 ARG 76 17.809 1.906 2.549 597 H PHE 77 HN PHE 77 9.215 -0.942 1.334 598 HA PHE 77 HA PHE 77 8.599 0.646 3.753 599 1HB PHE 77 HB2 PHE 77 6.819 0.027 1.389 600 2HB PHE 77 HB1 PHE 77 6.278 0.810 2.865 601 HD1 PHE 77 HD1 PHE 77 6.790 3.102 3.314 602 HD2 PHE 77 HD2 PHE 77 8.232 1.183 -0.197 603 HE1 PHE 77 HE1 PHE 77 7.349 5.295 2.352 604 HE2 PHE 77 HE2 PHE 77 8.797 3.370 -1.164 605 HZ PHE 77 HZ PHE 77 8.355 5.428 0.111 606 H ARG 78 HN ARG 78 7.742 -0.440 5.435 607 HA ARG 78 HA ARG 78 6.997 -3.231 5.093 608 1HB ARG 78 HB2 ARG 78 8.284 -2.437 7.102 609 2HB ARG 78 HB1 ARG 78 6.863 -1.521 7.589 610 1HG ARG 78 HG2 ARG 78 5.589 -3.557 7.852 611 2HG ARG 78 HG1 ARG 78 6.947 -4.516 7.256 612 1HD ARG 78 HD2 ARG 78 6.900 -4.656 9.656 613 2HD ARG 78 HD1 ARG 78 8.296 -3.695 9.174 614 HE ARG 78 HE ARG 78 5.857 -2.268 9.897 615 1HH1 ARG 78 HH11 ARG 78 9.065 -3.346 10.819 616 2HH1 ARG 78 HH12 ARG 78 9.218 -2.164 12.094 617 1HH2 ARG 78 HH21 ARG 78 6.078 -0.715 11.581 618 2HH2 ARG 78 HH22 ARG 78 7.537 -0.692 12.523 619 H LEU 79 HN LEU 79 5.141 -3.221 3.880 620 HA LEU 79 HA LEU 79 3.194 -1.190 4.032 621 1HB LEU 79 HB2 LEU 79 1.843 -2.761 2.576 622 2HB LEU 79 HB1 LEU 79 3.400 -2.247 1.965 623 HG LEU 79 HG LEU 79 4.291 -4.480 2.881 624 1HD1 LEU 79 HD11 LEU 79 2.379 -5.072 4.252 625 2HD1 LEU 79 HD12 LEU 79 2.653 -6.283 3.000 626 3HD1 LEU 79 HD13 LEU 79 1.347 -5.110 2.824 627 1HD2 LEU 79 HD21 LEU 79 3.630 -5.649 0.842 628 2HD2 LEU 79 HD22 LEU 79 4.063 -3.973 0.511 629 3HD2 LEU 79 HD23 LEU 79 2.366 -4.451 0.560 630 H SER 80 HN SER 80 3.621 -3.961 5.949 631 HA SER 80 HA SER 80 0.931 -4.382 6.744 632 1HB SER 80 HB2 SER 80 3.429 -4.939 8.358 633 2HB SER 80 HB1 SER 80 1.864 -5.741 8.496 634 HG SER 80 HG SER 80 2.402 -7.010 6.918 635 H ASP 81 HN ASP 81 3.183 -1.920 7.400 636 HA ASP 81 HA ASP 81 1.622 -0.975 9.713 637 1HB ASP 81 HB2 ASP 81 3.580 -1.904 10.677 638 2HB ASP 81 HB1 ASP 81 4.612 -1.216 9.430 639 H GLY 82 HN GLY 82 3.975 -0.073 7.206 640 1HA GLY 82 HA2 GLY 82 3.314 1.874 5.813 641 2HA GLY 82 HA1 GLY 82 2.864 2.666 7.319 642 H LEU 83 HN LEU 83 5.354 1.180 8.430 643 HA LEU 83 HA LEU 83 7.139 3.304 8.444 644 1HB LEU 83 HB2 LEU 83 7.306 1.551 10.089 645 2HB LEU 83 HB1 LEU 83 7.650 0.358 8.848 646 HG LEU 83 HG LEU 83 9.737 1.772 8.333 647 1HD1 LEU 83 HD11 LEU 83 10.609 3.028 10.261 648 2HD1 LEU 83 HD12 LEU 83 9.051 2.835 11.063 649 3HD1 LEU 83 HD13 LEU 83 9.162 3.756 9.560 650 1HD2 LEU 83 HD21 LEU 83 9.533 0.260 10.930 651 2HD2 LEU 83 HD22 LEU 83 11.026 0.634 10.066 652 3HD2 LEU 83 HD23 LEU 83 9.826 -0.432 9.335 653 H CYS 84 HN CYS 84 8.652 4.014 7.124 654 HA CYS 84 HA CYS 84 9.463 2.342 4.841 655 1HB CYS 84 HB2 CYS 84 8.557 4.591 4.292 656 2HB CYS 84 HB1 CYS 84 9.821 5.315 5.282 657 HG CYS 84 HG CYS 84 9.964 5.034 2.188 658 H MET 85 HN MET 85 11.704 2.007 4.495 659 HA MET 85 HA MET 85 13.178 1.894 6.956 660 1HB MET 85 HB2 MET 85 13.141 0.182 5.026 661 2HB MET 85 HB1 MET 85 14.309 1.245 4.251 662 1HG MET 85 HG2 MET 85 15.887 0.924 5.977 663 2HG MET 85 HG1 MET 85 14.696 0.142 7.016 664 1HE MET 85 HE1 MET 85 16.084 -1.989 7.540 665 2HE MET 85 HE2 MET 85 17.431 -1.202 6.716 666 3HE MET 85 HE3 MET 85 17.013 -2.872 6.329 667 H GLU 86 HN GLU 86 13.441 3.748 3.944 668 HA GLU 86 HA GLU 86 15.705 5.224 5.040 669 1HB GLU 86 HB2 GLU 86 15.420 6.511 2.784 670 2HB GLU 86 HB1 GLU 86 16.134 4.907 2.805 671 1HG GLU 86 HG2 GLU 86 13.207 5.283 2.305 672 2HG GLU 86 HG1 GLU 86 14.388 5.471 1.010 673 H ASP 87 HN ASP 87 12.328 5.801 4.168 674 HA ASP 87 HA ASP 87 12.428 8.562 5.049 675 1HB ASP 87 HB2 ASP 87 10.914 7.675 3.193 676 2HB ASP 87 HB1 ASP 87 9.940 6.946 4.458 677 H GLU 88 HN GLU 88 12.822 5.982 6.696 678 HA GLU 88 HA GLU 88 11.111 5.306 8.599 679 1HB GLU 88 HB2 GLU 88 13.453 4.560 8.417 680 2HB GLU 88 HB1 GLU 88 13.980 6.071 9.141 681 1HG GLU 88 HG2 GLU 88 12.744 5.482 11.189 682 2HG GLU 88 HG1 GLU 88 12.318 3.935 10.453 683 H GLN 89 HN GLN 89 12.630 8.477 8.525 684 HA GLN 89 HA GLN 89 12.129 9.312 11.140 685 1HB GLN 89 HB2 GLN 89 12.053 11.051 8.673 686 2HB GLN 89 HB1 GLN 89 12.395 11.566 10.320 687 1HG GLN 89 HG2 GLN 89 14.097 9.792 8.584 688 2HG GLN 89 HG1 GLN 89 14.445 11.446 9.086 689 1HE2 GLN 89 HE21 GLN 89 15.899 8.910 9.478 690 2HE2 GLN 89 HE22 GLN 89 16.150 8.779 11.187 691 H PHE 90 HN PHE 90 10.038 9.352 8.290 692 HA PHE 90 HA PHE 90 7.825 10.234 10.027 693 1HB PHE 90 HB2 PHE 90 8.382 10.860 7.134 694 2HB PHE 90 HB1 PHE 90 6.776 11.042 7.832 695 HD1 PHE 90 HD1 PHE 90 10.281 12.200 8.087 696 HD2 PHE 90 HD2 PHE 90 6.214 12.927 9.101 697 HE1 PHE 90 HE1 PHE 90 10.887 14.445 8.894 698 HE2 PHE 90 HE2 PHE 90 6.809 15.173 9.909 699 HZ PHE 90 HZ PHE 90 9.152 15.934 9.803 700 H SER 91 HN SER 91 8.525 8.432 7.043 701 HA SER 91 HA SER 91 7.686 6.533 6.158 702 1HB SER 91 HB2 SER 91 6.305 6.144 8.824 703 2HB SER 91 HB1 SER 91 6.455 4.928 7.552 704 HG SER 91 HG SER 91 8.724 6.211 8.630 705 H VAL 92 HN VAL 92 5.479 5.496 5.538 706 HA VAL 92 HA VAL 92 3.906 7.803 4.717 707 HB VAL 92 HB VAL 92 2.845 6.260 3.088 708 1HG1 VAL 92 HG11 VAL 92 5.858 6.351 3.035 709 2HG1 VAL 92 HG12 VAL 92 4.763 7.600 2.444 710 3HG1 VAL 92 HG13 VAL 92 4.818 6.025 1.649 711 1HG2 VAL 92 HG21 VAL 92 3.091 4.169 4.314 712 2HG2 VAL 92 HG22 VAL 92 4.845 4.261 4.145 713 3HG2 VAL 92 HG23 VAL 92 3.830 4.048 2.717 714 H LYS 93 HN LYS 93 1.732 7.982 4.911 715 HA LYS 93 HA LYS 93 0.593 7.108 7.333 716 1HB LYS 93 HB2 LYS 93 0.090 9.221 6.020 717 2HB LYS 93 HB1 LYS 93 -0.863 8.228 4.932 718 1HG LYS 93 HG2 LYS 93 -2.460 7.758 6.597 719 2HG LYS 93 HG1 LYS 93 -1.411 8.376 7.878 720 1HD LYS 93 HD2 LYS 93 -1.542 10.623 6.843 721 2HD LYS 93 HD1 LYS 93 -2.685 9.980 5.666 722 1HE LYS 93 HE2 LYS 93 -3.136 9.872 8.637 723 2HE LYS 93 HE1 LYS 93 -3.688 11.205 7.626 724 1HZ LYS 93 HZ1 LYS 93 -5.426 9.572 8.001 725 2HZ LYS 93 HZ2 LYS 93 -4.478 8.358 7.300 726 3HZ LYS 93 HZ3 LYS 93 -5.028 9.657 6.357 727 H HIS 94 HN HIS 94 -0.369 5.233 7.808 728 HA HIS 94 HA HIS 94 -0.878 3.327 5.682 729 1HB HIS 94 HB2 HIS 94 0.245 2.646 7.794 730 2HB HIS 94 HB1 HIS 94 -1.229 3.011 8.677 731 HD1 HIS 94 HD1 HIS 94 -3.030 1.240 8.728 732 HD2 HIS 94 HD2 HIS 94 0.054 0.358 6.073 733 HE1 HIS 94 HE1 HIS 94 -3.419 -1.138 7.999 734 HE2 HIS 94 HE2 HIS 94 -1.438 -1.700 6.544 735 H TYR 95 HN TYR 95 -2.856 2.463 5.153 736 HA TYR 95 HA TYR 95 -5.196 3.919 6.184 737 1HB TYR 95 HB2 TYR 95 -4.563 3.073 3.356 738 2HB TYR 95 HB1 TYR 95 -6.167 3.588 3.871 739 HD1 TYR 95 HD1 TYR 95 -2.773 4.675 3.075 740 HD2 TYR 95 HD2 TYR 95 -6.581 5.902 4.502 741 HE1 TYR 95 HE1 TYR 95 -2.151 7.026 2.703 742 HE2 TYR 95 HE2 TYR 95 -5.976 8.249 4.132 743 HH TYR 95 HH TYR 95 -3.204 9.202 2.366 744 H GLU 96 HN GLU 96 -7.262 2.739 5.829 745 HA GLU 96 HA GLU 96 -6.861 -0.057 6.604 746 1HB GLU 96 HB2 GLU 96 -9.244 1.784 6.914 747 2HB GLU 96 HB1 GLU 96 -9.187 0.118 7.466 748 1HG GLU 96 HG2 GLU 96 -7.368 2.321 8.413 749 2HG GLU 96 HG1 GLU 96 -8.796 1.739 9.270 750 H ALA 97 HN ALA 97 -7.184 -1.565 5.108 751 HA ALA 97 HA ALA 97 -9.113 -1.004 2.952 752 1HB ALA 97 HB1 ALA 97 -7.717 -2.306 1.440 753 2HB ALA 97 HB2 ALA 97 -6.553 -2.584 2.734 754 3HB ALA 97 HB3 ALA 97 -6.813 -0.954 2.116 755 H ARG 98 HN ARG 98 -10.414 -2.683 2.256 756 HA ARG 98 HA ARG 98 -10.156 -5.302 3.501 757 1HB ARG 98 HB2 ARG 98 -12.357 -5.363 4.430 758 2HB ARG 98 HB1 ARG 98 -11.581 -3.911 5.047 759 1HG ARG 98 HG2 ARG 98 -12.799 -2.540 3.477 760 2HG ARG 98 HG1 ARG 98 -13.504 -3.977 2.730 761 1HD ARG 98 HD2 ARG 98 -14.592 -4.527 4.865 762 2HD ARG 98 HD1 ARG 98 -13.920 -3.059 5.572 763 HE ARG 98 HE ARG 98 -15.363 -2.337 3.282 764 1HH1 ARG 98 HH11 ARG 98 -15.946 -3.723 6.444 765 2HH1 ARG 98 HH12 ARG 98 -17.549 -3.057 6.582 766 1HH2 ARG 98 HH21 ARG 98 -17.449 -1.438 3.457 767 2HH2 ARG 98 HH22 ARG 98 -18.402 -1.739 4.887 768 H VAL 99 HN VAL 99 -11.692 -6.876 2.548 769 HA VAL 99 HA VAL 99 -12.458 -6.100 -0.188 770 HB VAL 99 HB VAL 99 -11.819 -8.862 0.882 771 1HG1 VAL 99 HG11 VAL 99 -13.559 -8.951 -0.824 772 2HG1 VAL 99 HG12 VAL 99 -12.042 -9.602 -1.445 773 3HG1 VAL 99 HG13 VAL 99 -12.562 -7.982 -1.908 774 1HG2 VAL 99 HG21 VAL 99 -9.836 -7.481 0.604 775 2HG2 VAL 99 HG22 VAL 99 -10.323 -7.086 -1.046 776 3HG2 VAL 99 HG23 VAL 99 -9.888 -8.744 -0.626 777 H LYS 100 HN LYS 100 -14.529 -5.682 -0.339 778 HA LYS 100 HA LYS 100 -16.445 -7.180 1.343 779 1HB LYS 100 HB2 LYS 100 -16.245 -4.770 1.860 780 2HB LYS 100 HB1 LYS 100 -16.681 -4.390 0.206 781 1HG LYS 100 HG2 LYS 100 -18.815 -5.769 0.715 782 2HG LYS 100 HG1 LYS 100 -18.386 -5.477 2.403 783 1HD LYS 100 HD2 LYS 100 -19.896 -3.749 1.695 784 2HD LYS 100 HD1 LYS 100 -18.297 -3.043 1.898 785 1HE LYS 100 HE2 LYS 100 -19.431 -2.254 -0.144 786 2HE LYS 100 HE1 LYS 100 -17.921 -3.093 -0.483 787 1HZ LYS 100 HZ1 LYS 100 -20.603 -4.355 -0.667 788 2HZ LYS 100 HZ2 LYS 100 -19.126 -5.021 -1.157 789 3HZ LYS 100 HZ3 LYS 100 -19.765 -3.693 -1.985 790 H ASP 101 HN ASP 101 -17.629 -8.581 0.177 791 HA ASP 101 HA ASP 101 -18.891 -9.495 -1.490 792 1HB ASP 101 HB2 ASP 101 -20.064 -7.265 -1.348 793 2HB ASP 101 HB1 ASP 101 -19.046 -6.710 -2.671 794 H GLY 102 HN GLY 102 -15.916 -8.780 -1.725 795 1HA GLY 102 HA2 GLY 102 -14.368 -9.637 -3.284 796 2HA GLY 102 HA1 GLY 102 -15.624 -9.593 -4.514 797 H VAL 103 HN VAL 103 -15.580 -6.751 -2.695 798 HA VAL 103 HA VAL 103 -14.076 -5.377 -4.832 799 HB VAL 103 HB VAL 103 -16.282 -4.307 -3.053 800 1HG1 VAL 103 HG11 VAL 103 -14.660 -2.576 -3.581 801 2HG1 VAL 103 HG12 VAL 103 -16.174 -2.291 -4.438 802 3HG1 VAL 103 HG13 VAL 103 -14.785 -2.962 -5.299 803 1HG2 VAL 103 HG21 VAL 103 -16.275 -4.924 -6.007 804 2HG2 VAL 103 HG22 VAL 103 -17.603 -4.179 -5.113 805 3HG2 VAL 103 HG23 VAL 103 -17.121 -5.838 -4.756 806 H VAL 104 HN VAL 104 -12.297 -4.274 -4.276 807 HA VAL 104 HA VAL 104 -11.368 -4.278 -1.556 808 HB VAL 104 HB VAL 104 -10.167 -2.802 -3.910 809 1HG1 VAL 104 HG11 VAL 104 -8.955 -3.782 -1.326 810 2HG1 VAL 104 HG12 VAL 104 -9.316 -2.106 -1.742 811 3HG1 VAL 104 HG13 VAL 104 -8.084 -2.991 -2.641 812 1HG2 VAL 104 HG21 VAL 104 -10.431 -5.160 -4.486 813 2HG2 VAL 104 HG22 VAL 104 -9.631 -5.629 -2.986 814 3HG2 VAL 104 HG23 VAL 104 -8.730 -4.767 -4.231 815 H GLN 105 HN GLN 105 -12.086 -2.873 -0.121 816 HA GLN 105 HA GLN 105 -12.812 -0.180 -1.048 817 1HB GLN 105 HB2 GLN 105 -13.751 -1.778 1.322 818 2HB GLN 105 HB1 GLN 105 -14.016 -0.044 1.190 819 1HG GLN 105 HG2 GLN 105 -15.129 -0.517 -1.025 820 2HG GLN 105 HG1 GLN 105 -15.086 -2.223 -0.569 821 1HE2 GLN 105 HE21 GLN 105 -17.337 -0.394 -1.004 822 2HE2 GLN 105 HE22 GLN 105 -18.252 -0.407 0.466 823 H LEU 106 HN LEU 106 -12.058 1.605 -0.015 824 HA LEU 106 HA LEU 106 -9.778 1.154 1.793 825 1HB LEU 106 HB2 LEU 106 -9.713 2.142 -0.782 826 2HB LEU 106 HB1 LEU 106 -9.742 3.601 0.187 827 HG LEU 106 HG LEU 106 -7.682 1.406 0.260 828 1HD1 LEU 106 HD11 LEU 106 -6.168 3.190 -0.418 829 2HD1 LEU 106 HD12 LEU 106 -7.510 4.336 -0.424 830 3HD1 LEU 106 HD13 LEU 106 -7.484 3.001 -1.577 831 1HD2 LEU 106 HD21 LEU 106 -8.112 2.124 2.534 832 2HD2 LEU 106 HD22 LEU 106 -7.956 3.815 2.053 833 3HD2 LEU 106 HD23 LEU 106 -6.555 2.744 1.983 834 H ARG 107 HN ARG 107 -10.176 1.977 3.752 835 HA ARG 107 HA ARG 107 -11.713 4.492 3.916 836 1HB ARG 107 HB2 ARG 107 -12.705 2.608 5.210 837 2HB ARG 107 HB1 ARG 107 -11.210 2.488 6.133 838 1HG ARG 107 HG2 ARG 107 -11.539 4.791 6.923 839 2HG ARG 107 HG1 ARG 107 -13.070 4.853 6.051 840 1HD ARG 107 HD2 ARG 107 -13.582 4.374 8.316 841 2HD ARG 107 HD1 ARG 107 -13.809 2.880 7.409 842 HE ARG 107 HE ARG 107 -11.771 2.056 8.353 843 1HH1 ARG 107 HH11 ARG 107 -12.977 5.024 9.788 844 2HH1 ARG 107 HH12 ARG 107 -12.076 4.823 11.254 845 1HH2 ARG 107 HH21 ARG 107 -10.614 1.777 10.308 846 2HH2 ARG 107 HH22 ARG 107 -10.725 2.992 11.552 847 H GLY 108 HN GLY 108 -10.543 6.227 4.287 848 1HA GLY 108 HA2 GLY 108 -7.954 5.856 5.665 849 2HA GLY 108 HA1 GLY 108 -8.149 6.940 4.296 850 H GLY 109 HN GLY 109 -7.569 7.074 7.381 851 1HA GLY 109 HA2 GLY 109 -9.551 8.995 8.241 852 2HA GLY 109 HA1 GLY 109 -8.099 8.523 9.117 853 H SER 110 HN SER 110 -8.798 10.030 5.981 854 HA SER 110 HA SER 110 -6.868 12.146 6.659 855 1HB SER 110 HB2 SER 110 -7.381 10.937 3.923 856 2HB SER 110 HB1 SER 110 -6.238 12.231 4.282 857 HG SER 110 HG SER 110 -5.165 10.232 4.187 Start of MODEL 11 1 HA MET 1 HA MET 1 -16.387 9.461 9.565 2 1HB MET 1 HB2 MET 1 -15.624 8.469 12.316 3 2HB MET 1 HB1 MET 1 -14.510 9.310 11.247 4 1HG MET 1 HG2 MET 1 -15.980 11.261 11.245 5 2HG MET 1 HG1 MET 1 -17.096 10.417 12.318 6 1HE MET 1 HE1 MET 1 -15.837 13.327 12.883 7 2HE MET 1 HE2 MET 1 -15.486 13.185 14.606 8 3HE MET 1 HE3 MET 1 -16.990 12.534 13.954 9 H SER 2 HN SER 2 -17.303 6.528 9.348 10 HA SER 2 HA SER 2 -14.674 5.382 8.740 11 1HB SER 2 HB2 SER 2 -16.247 3.253 8.501 12 2HB SER 2 HB1 SER 2 -15.648 3.786 10.070 13 HG SER 2 HG SER 2 -18.000 3.350 9.866 14 H GLN 3 HN GLN 3 -14.865 6.957 6.863 15 HA GLN 3 HA GLN 3 -16.604 6.245 4.722 16 1HB GLN 3 HB2 GLN 3 -14.169 8.010 4.882 17 2HB GLN 3 HB1 GLN 3 -14.961 7.674 3.350 18 1HG GLN 3 HG2 GLN 3 -15.953 9.642 3.927 19 2HG GLN 3 HG1 GLN 3 -17.098 8.491 4.604 20 1HE2 GLN 3 HE21 GLN 3 -16.610 11.253 5.313 21 2HE2 GLN 3 HE22 GLN 3 -16.192 11.254 6.996 22 H TRP 4 HN TRP 4 -16.259 3.986 4.587 23 HA TRP 4 HA TRP 4 -13.743 3.064 3.471 24 1HB TRP 4 HB2 TRP 4 -16.380 1.669 3.980 25 2HB TRP 4 HB1 TRP 4 -14.995 0.880 3.237 26 HD1 TRP 4 HD1 TRP 4 -16.346 2.010 6.600 27 HE1 TRP 4 HE1 TRP 4 -14.810 1.110 8.467 28 HE3 TRP 4 HE3 TRP 4 -12.506 0.261 3.717 29 HZ2 TRP 4 HZ2 TRP 4 -12.308 -0.162 8.678 30 HZ3 TRP 4 HZ3 TRP 4 -10.579 -0.785 4.830 31 HH2 TRP 4 HH2 TRP 4 -10.484 -0.993 7.260 32 H LYS 5 HN LYS 5 -13.444 3.968 1.487 33 HA LYS 5 HA LYS 5 -15.628 4.275 -0.350 34 1HB LYS 5 HB2 LYS 5 -13.660 5.827 -0.267 35 2HB LYS 5 HB1 LYS 5 -12.675 4.532 -0.936 36 1HG LYS 5 HG2 LYS 5 -14.038 4.504 -2.949 37 2HG LYS 5 HG1 LYS 5 -15.081 5.758 -2.277 38 1HD LYS 5 HD2 LYS 5 -13.088 7.252 -2.159 39 2HD LYS 5 HD1 LYS 5 -12.164 6.009 -3.002 40 1HE LYS 5 HE2 LYS 5 -14.645 7.359 -4.064 41 2HE LYS 5 HE1 LYS 5 -12.993 7.769 -4.517 42 1HZ LYS 5 HZ1 LYS 5 -14.318 5.150 -4.979 43 2HZ LYS 5 HZ2 LYS 5 -12.722 5.533 -5.404 44 3HZ LYS 5 HZ3 LYS 5 -14.016 6.332 -6.152 45 H ASP 6 HN ASP 6 -16.310 2.935 -1.838 46 HA ASP 6 HA ASP 6 -15.233 0.271 -2.017 47 1HB ASP 6 HB2 ASP 6 -17.681 0.833 -2.077 48 2HB ASP 6 HB1 ASP 6 -17.426 1.588 -3.644 49 H ILE 7 HN ILE 7 -13.266 0.206 -3.048 50 HA ILE 7 HA ILE 7 -12.693 1.979 -5.246 51 HB ILE 7 HB ILE 7 -11.012 -0.334 -4.267 52 1HG1 ILE 7 HG12 ILE 7 -11.524 1.184 -2.405 53 2HG1 ILE 7 HG11 ILE 7 -9.830 1.306 -2.869 54 1HG2 ILE 7 HG21 ILE 7 -9.151 0.949 -5.225 55 2HG2 ILE 7 HG22 ILE 7 -10.293 2.163 -5.802 56 3HG2 ILE 7 HG23 ILE 7 -10.350 0.521 -6.444 57 1HD1 ILE 7 HD11 ILE 7 -10.764 3.485 -2.397 58 2HD1 ILE 7 HD12 ILE 7 -12.015 3.232 -3.614 59 3HD1 ILE 7 HD13 ILE 7 -10.325 3.356 -4.100 60 H CYS 8 HN CYS 8 -11.972 -1.473 -5.180 61 HA CYS 8 HA CYS 8 -13.588 -2.001 -7.518 62 1HB CYS 8 HB2 CYS 8 -11.629 -2.856 -8.815 63 2HB CYS 8 HB1 CYS 8 -11.609 -1.110 -8.585 64 HG CYS 8 HG CYS 8 -8.989 -1.907 -8.379 65 H LYS 9 HN LYS 9 -13.253 -4.392 -8.168 66 HA LYS 9 HA LYS 9 -13.536 -5.899 -5.738 67 1HB LYS 9 HB2 LYS 9 -13.509 -6.875 -8.600 68 2HB LYS 9 HB1 LYS 9 -14.043 -7.793 -7.200 69 1HG LYS 9 HG2 LYS 9 -15.816 -6.077 -6.842 70 2HG LYS 9 HG1 LYS 9 -15.335 -5.342 -8.371 71 1HD LYS 9 HD2 LYS 9 -16.373 -8.147 -7.974 72 2HD LYS 9 HD1 LYS 9 -17.248 -6.798 -8.699 73 1HE LYS 9 HE2 LYS 9 -15.546 -6.706 -10.489 74 2HE LYS 9 HE1 LYS 9 -14.759 -8.117 -9.782 75 1HZ LYS 9 HZ1 LYS 9 -16.155 -8.831 -11.559 76 2HZ LYS 9 HZ2 LYS 9 -17.488 -7.982 -10.946 77 3HZ LYS 9 HZ3 LYS 9 -16.884 -9.330 -10.111 78 H ILE 10 HN ILE 10 -12.264 -7.615 -5.026 79 HA ILE 10 HA ILE 10 -9.471 -7.317 -5.306 80 HB ILE 10 HB ILE 10 -10.620 -8.310 -3.316 81 1HG1 ILE 10 HG12 ILE 10 -8.920 -10.072 -2.899 82 2HG1 ILE 10 HG11 ILE 10 -8.467 -10.003 -4.599 83 1HG2 ILE 10 HG21 ILE 10 -11.215 -10.692 -3.354 84 2HG2 ILE 10 HG22 ILE 10 -10.910 -10.729 -5.090 85 3HG2 ILE 10 HG23 ILE 10 -12.219 -9.739 -4.446 86 1HD1 ILE 10 HD11 ILE 10 -8.242 -7.745 -2.622 87 2HD1 ILE 10 HD12 ILE 10 -7.776 -7.685 -4.322 88 3HD1 ILE 10 HD13 ILE 10 -6.918 -8.751 -3.212 89 H ASP 11 HN ASP 11 -11.803 -8.938 -7.154 90 HA ASP 11 HA ASP 11 -10.317 -10.966 -8.392 91 1HB ASP 11 HB2 ASP 11 -12.748 -10.842 -8.536 92 2HB ASP 11 HB1 ASP 11 -12.649 -9.319 -9.407 93 H ASP 12 HN ASP 12 -10.413 -7.515 -8.876 94 HA ASP 12 HA ASP 12 -9.243 -7.560 -11.489 95 1HB ASP 12 HB2 ASP 12 -10.679 -5.705 -10.850 96 2HB ASP 12 HB1 ASP 12 -9.589 -5.289 -9.530 97 H ILE 13 HN ILE 13 -8.075 -6.609 -8.311 98 HA ILE 13 HA ILE 13 -5.362 -6.276 -9.190 99 HB ILE 13 HB ILE 13 -6.359 -6.537 -6.348 100 1HG1 ILE 13 HG12 ILE 13 -5.963 -4.023 -7.990 101 2HG1 ILE 13 HG11 ILE 13 -7.528 -4.737 -7.621 102 1HG2 ILE 13 HG21 ILE 13 -3.855 -5.297 -7.494 103 2HG2 ILE 13 HG22 ILE 13 -3.949 -6.809 -6.593 104 3HG2 ILE 13 HG23 ILE 13 -4.322 -5.283 -5.793 105 1HD1 ILE 13 HD11 ILE 13 -5.567 -3.650 -5.613 106 2HD1 ILE 13 HD12 ILE 13 -7.138 -4.365 -5.241 107 3HD1 ILE 13 HD13 ILE 13 -7.045 -2.862 -6.160 108 H LEU 14 HN LEU 14 -4.175 -7.944 -9.757 109 HA LEU 14 HA LEU 14 -4.777 -10.620 -8.945 110 1HB LEU 14 HB2 LEU 14 -2.345 -9.570 -10.400 111 2HB LEU 14 HB1 LEU 14 -2.866 -11.241 -10.326 112 HG LEU 14 HG LEU 14 -4.338 -8.988 -11.695 113 1HD1 LEU 14 HD11 LEU 14 -2.328 -9.677 -12.880 114 2HD1 LEU 14 HD12 LEU 14 -3.777 -10.184 -13.746 115 3HD1 LEU 14 HD13 LEU 14 -2.851 -11.359 -12.811 116 1HD2 LEU 14 HD21 LEU 14 -4.987 -11.927 -11.524 117 2HD2 LEU 14 HD22 LEU 14 -5.836 -10.741 -12.517 118 3HD2 LEU 14 HD23 LEU 14 -5.884 -10.617 -10.758 119 HA PRO 15 HA PRO 15 -2.155 -11.224 -5.395 120 1HB PRO 15 HB2 PRO 15 -0.824 -13.537 -6.181 121 2HB PRO 15 HB1 PRO 15 -2.408 -13.495 -5.402 122 1HG PRO 15 HG2 PRO 15 -1.726 -13.740 -8.299 123 2HG PRO 15 HG1 PRO 15 -2.992 -14.565 -7.369 124 1HD PRO 15 HD2 PRO 15 -3.582 -12.517 -8.977 125 2HD PRO 15 HD1 PRO 15 -4.397 -12.709 -7.409 126 H GLU 16 HN GLU 16 -0.217 -10.462 -4.794 127 HA GLU 16 HA GLU 16 1.810 -9.481 -4.875 128 1HB GLU 16 HB2 GLU 16 2.192 -11.443 -7.124 129 2HB GLU 16 HB1 GLU 16 3.460 -10.341 -6.611 130 1HG GLU 16 HG2 GLU 16 3.217 -11.313 -4.305 131 2HG GLU 16 HG1 GLU 16 2.179 -12.544 -5.025 132 H THR 17 HN THR 17 -0.228 -8.043 -5.974 133 HA THR 17 HA THR 17 1.225 -6.510 -8.017 134 HB THR 17 HB THR 17 -1.769 -6.878 -8.165 135 HG1 THR 17 HG1 THR 17 -1.112 -8.874 -8.679 136 1HG2 THR 17 HG21 THR 17 -1.464 -6.055 -10.452 137 2HG2 THR 17 HG22 THR 17 0.272 -5.914 -10.174 138 3HG2 THR 17 HG23 THR 17 -0.852 -4.897 -9.271 139 H GLY 18 HN GLY 18 1.313 -4.391 -7.575 140 1HA GLY 18 HA2 GLY 18 -0.642 -3.288 -5.649 141 2HA GLY 18 HA1 GLY 18 1.020 -2.728 -5.781 142 H VAL 19 HN VAL 19 -1.772 -1.492 -6.228 143 HA VAL 19 HA VAL 19 -1.239 -0.439 -8.926 144 HB VAL 19 HB VAL 19 -3.659 -0.353 -9.360 145 1HG1 VAL 19 HG11 VAL 19 -2.640 -3.104 -8.653 146 2HG1 VAL 19 HG12 VAL 19 -2.382 -2.254 -10.178 147 3HG1 VAL 19 HG13 VAL 19 -4.007 -2.759 -9.712 148 1HG2 VAL 19 HG21 VAL 19 -5.217 -1.583 -7.919 149 2HG2 VAL 19 HG22 VAL 19 -4.463 -0.238 -7.063 150 3HG2 VAL 19 HG23 VAL 19 -3.911 -1.887 -6.773 151 H CYS 20 HN CYS 20 -2.353 1.622 -9.380 152 HA CYS 20 HA CYS 20 -2.179 3.399 -7.075 153 1HB CYS 20 HB2 CYS 20 -2.538 4.087 -10.001 154 2HB CYS 20 HB1 CYS 20 -2.133 5.204 -8.702 155 HG CYS 20 HG CYS 20 -0.041 4.140 -10.674 156 H ALA 21 HN ALA 21 -3.948 4.030 -6.031 157 HA ALA 21 HA ALA 21 -6.460 4.285 -7.549 158 1HB ALA 21 HB1 ALA 21 -6.196 3.197 -4.743 159 2HB ALA 21 HB2 ALA 21 -6.566 2.251 -6.186 160 3HB ALA 21 HB3 ALA 21 -7.706 3.469 -5.613 161 H LEU 22 HN LEU 22 -7.753 6.047 -6.972 162 HA LEU 22 HA LEU 22 -6.376 8.022 -5.296 163 1HB LEU 22 HB2 LEU 22 -8.494 8.366 -7.415 164 2HB LEU 22 HB1 LEU 22 -7.897 9.671 -6.409 165 HG LEU 22 HG LEU 22 -6.268 8.073 -8.386 166 1HD1 LEU 22 HD11 LEU 22 -7.232 10.929 -8.436 167 2HD1 LEU 22 HD12 LEU 22 -7.813 9.615 -9.459 168 3HD1 LEU 22 HD13 LEU 22 -6.152 10.187 -9.618 169 1HD2 LEU 22 HD21 LEU 22 -4.923 8.734 -6.468 170 2HD2 LEU 22 HD22 LEU 22 -5.491 10.396 -6.626 171 3HD2 LEU 22 HD23 LEU 22 -4.486 9.685 -7.889 172 H LEU 23 HN LEU 23 -7.065 8.117 -3.288 173 HA LEU 23 HA LEU 23 -9.866 7.534 -2.680 174 1HB LEU 23 HB2 LEU 23 -8.125 6.482 -1.294 175 2HB LEU 23 HB1 LEU 23 -7.517 8.064 -0.850 176 HG LEU 23 HG LEU 23 -9.706 8.535 0.256 177 1HD1 LEU 23 HD11 LEU 23 -11.081 6.965 -1.009 178 2HD1 LEU 23 HD12 LEU 23 -11.198 6.665 0.725 179 3HD1 LEU 23 HD13 LEU 23 -10.208 5.613 -0.288 180 1HD2 LEU 23 HD21 LEU 23 -7.780 7.773 1.537 181 2HD2 LEU 23 HD22 LEU 23 -8.219 6.095 1.214 182 3HD2 LEU 23 HD23 LEU 23 -9.277 7.108 2.194 183 H GLY 24 HN GLY 24 -10.718 9.413 -3.663 184 1HA GLY 24 HA2 GLY 24 -11.582 11.542 -3.542 185 2HA GLY 24 HA1 GLY 24 -10.859 11.687 -1.944 186 H ASP 25 HN ASP 25 -8.903 12.680 -1.704 187 HA ASP 25 HA ASP 25 -7.771 13.895 -4.139 188 1HB ASP 25 HB2 ASP 25 -7.869 14.874 -1.286 189 2HB ASP 25 HB1 ASP 25 -6.805 15.589 -2.491 190 H GLU 26 HN GLU 26 -7.224 11.488 -1.969 191 HA GLU 26 HA GLU 26 -4.338 11.947 -1.768 192 1HB GLU 26 HB2 GLU 26 -6.093 9.953 -0.329 193 2HB GLU 26 HB1 GLU 26 -4.370 10.181 -0.056 194 1HG GLU 26 HG2 GLU 26 -4.833 12.510 0.632 195 2HG GLU 26 HG1 GLU 26 -6.557 12.182 0.464 196 H GLN 27 HN GLN 27 -2.848 10.611 -2.631 197 HA GLN 27 HA GLN 27 -3.782 8.644 -4.562 198 1HB GLN 27 HB2 GLN 27 -0.968 9.598 -3.967 199 2HB GLN 27 HB1 GLN 27 -1.428 8.533 -5.285 200 1HG GLN 27 HG2 GLN 27 -1.330 10.492 -6.412 201 2HG GLN 27 HG1 GLN 27 -3.013 10.552 -5.896 202 1HE2 GLN 27 HE21 GLN 27 -1.264 12.740 -6.599 203 2HE2 GLN 27 HE22 GLN 27 -1.178 13.764 -5.211 204 H VAL 28 HN VAL 28 -4.146 6.648 -3.858 205 HA VAL 28 HA VAL 28 -2.545 5.644 -1.598 206 HB VAL 28 HB VAL 28 -5.268 4.695 -2.507 207 1HG1 VAL 28 HG11 VAL 28 -5.320 3.512 -0.362 208 2HG1 VAL 28 HG12 VAL 28 -3.677 4.061 -0.024 209 3HG1 VAL 28 HG13 VAL 28 -3.981 2.969 -1.375 210 1HG2 VAL 28 HG21 VAL 28 -6.148 5.831 -0.527 211 2HG2 VAL 28 HG22 VAL 28 -5.396 6.970 -1.645 212 3HG2 VAL 28 HG23 VAL 28 -4.541 6.474 -0.184 213 H ALA 29 HN ALA 29 -1.396 3.819 -1.817 214 HA ALA 29 HA ALA 29 -1.543 2.419 -4.397 215 1HB ALA 29 HB1 ALA 29 0.655 3.321 -3.831 216 2HB ALA 29 HB2 ALA 29 0.684 1.558 -3.869 217 3HB ALA 29 HB3 ALA 29 0.650 2.406 -2.323 218 H ILE 30 HN ILE 30 -2.908 0.766 -4.284 219 HA ILE 30 HA ILE 30 -3.238 -0.722 -1.809 220 HB ILE 30 HB ILE 30 -4.582 -1.154 -4.489 221 1HG1 ILE 30 HG12 ILE 30 -5.607 0.235 -1.999 222 2HG1 ILE 30 HG11 ILE 30 -5.149 1.035 -3.498 223 1HG2 ILE 30 HG21 ILE 30 -4.557 -3.165 -3.123 224 2HG2 ILE 30 HG22 ILE 30 -6.188 -2.501 -3.206 225 3HG2 ILE 30 HG23 ILE 30 -5.214 -2.265 -1.756 226 1HD1 ILE 30 HD11 ILE 30 -6.956 -0.123 -4.666 227 2HD1 ILE 30 HD12 ILE 30 -7.564 0.825 -3.312 228 3HD1 ILE 30 HD13 ILE 30 -7.414 -0.924 -3.163 229 H PHE 31 HN PHE 31 -1.706 -2.176 -1.382 230 HA PHE 31 HA PHE 31 -0.563 -3.715 -3.606 231 1HB PHE 31 HB2 PHE 31 0.393 -3.277 -0.773 232 2HB PHE 31 HB1 PHE 31 1.151 -4.406 -1.889 233 HD1 PHE 31 HD1 PHE 31 2.138 -3.497 -4.027 234 HD2 PHE 31 HD2 PHE 31 0.951 -1.010 -0.785 235 HE1 PHE 31 HE1 PHE 31 3.566 -1.691 -4.893 236 HE2 PHE 31 HE2 PHE 31 2.373 0.801 -1.650 237 HZ PHE 31 HZ PHE 31 3.684 0.460 -3.705 238 H ARG 32 HN ARG 32 -1.323 -5.696 -3.943 239 HA ARG 32 HA ARG 32 -2.350 -7.218 -1.641 240 1HB ARG 32 HB2 ARG 32 -3.870 -7.077 -3.573 241 2HB ARG 32 HB1 ARG 32 -2.624 -7.751 -4.613 242 1HG ARG 32 HG2 ARG 32 -2.685 -9.832 -3.299 243 2HG ARG 32 HG1 ARG 32 -3.991 -9.152 -2.325 244 1HD ARG 32 HD2 ARG 32 -5.381 -8.949 -4.321 245 2HD ARG 32 HD1 ARG 32 -4.073 -9.602 -5.305 246 HE ARG 32 HE ARG 32 -4.608 -11.461 -3.306 247 1HH1 ARG 32 HH11 ARG 32 -6.264 -10.035 -6.044 248 2HH1 ARG 32 HH12 ARG 32 -7.246 -11.441 -6.339 249 1HH2 ARG 32 HH21 ARG 32 -5.911 -13.324 -3.726 250 2HH2 ARG 32 HH22 ARG 32 -7.038 -13.282 -5.052 251 HA PRO 33 HA PRO 33 1.734 -9.070 -2.190 252 1HB PRO 33 HB2 PRO 33 2.168 -9.671 0.389 253 2HB PRO 33 HB1 PRO 33 2.315 -8.020 -0.226 254 1HG PRO 33 HG2 PRO 33 0.121 -9.265 1.358 255 2HG PRO 33 HG1 PRO 33 0.751 -7.611 1.417 256 1HD PRO 33 HD2 PRO 33 -1.562 -8.436 0.086 257 2HD PRO 33 HD1 PRO 33 -0.704 -6.906 -0.176 258 H TYR 34 HN TYR 34 -0.915 -10.493 -0.309 259 HA TYR 34 HA TYR 34 0.214 -13.152 -0.708 260 1HB TYR 34 HB2 TYR 34 -2.057 -12.138 1.001 261 2HB TYR 34 HB1 TYR 34 -1.719 -13.853 0.788 262 HD1 TYR 34 HD1 TYR 34 -1.011 -10.975 2.723 263 HD2 TYR 34 HD2 TYR 34 0.706 -14.611 1.337 264 HE1 TYR 34 HE1 TYR 34 0.648 -10.876 4.535 265 HE2 TYR 34 HE2 TYR 34 2.367 -14.523 3.145 266 HH TYR 34 HH TYR 34 3.417 -12.863 4.606 267 H HIS 35 HN HIS 35 -1.341 -14.913 -1.268 268 HA HIS 35 HA HIS 35 -2.624 -14.195 -3.748 269 1HB HIS 35 HB2 HIS 35 -1.263 -16.337 -3.244 270 2HB HIS 35 HB1 HIS 35 -2.728 -16.914 -2.456 271 HD1 HIS 35 HD1 HIS 35 -4.831 -17.302 -4.009 272 HD2 HIS 35 HD2 HIS 35 -1.271 -16.436 -5.990 273 HE1 HIS 35 HE1 HIS 35 -5.237 -17.854 -6.430 274 HE2 HIS 35 HE2 HIS 35 -3.117 -17.212 -7.628 275 H SER 36 HN SER 36 -3.543 -14.683 -0.490 276 HA SER 36 HA SER 36 -6.328 -15.205 -1.053 277 1HB SER 36 HB2 SER 36 -5.019 -14.508 1.586 278 2HB SER 36 HB1 SER 36 -6.585 -15.286 1.345 279 HG SER 36 HG SER 36 -4.779 -16.720 1.868 280 H ASP 37 HN ASP 37 -7.726 -13.694 0.695 281 HA ASP 37 HA ASP 37 -7.734 -11.118 -0.580 282 1HB ASP 37 HB2 ASP 37 -9.721 -10.693 0.903 283 2HB ASP 37 HB1 ASP 37 -9.872 -12.077 -0.168 284 H GLN 38 HN GLN 38 -5.503 -10.732 0.254 285 HA GLN 38 HA GLN 38 -5.675 -9.271 2.804 286 1HB GLN 38 HB2 GLN 38 -3.362 -10.906 1.745 287 2HB GLN 38 HB1 GLN 38 -3.226 -9.784 3.091 288 1HG GLN 38 HG2 GLN 38 -5.108 -12.128 3.050 289 2HG GLN 38 HG1 GLN 38 -3.481 -12.177 3.726 290 1HE2 GLN 38 HE21 GLN 38 -6.712 -10.937 4.106 291 2HE2 GLN 38 HE22 GLN 38 -6.521 -10.417 5.750 292 H VAL 39 HN VAL 39 -5.735 -7.197 2.222 293 HA VAL 39 HA VAL 39 -3.786 -6.280 0.219 294 HB VAL 39 HB VAL 39 -5.373 -4.424 -0.318 295 1HG1 VAL 39 HG11 VAL 39 -5.171 -6.340 -1.787 296 2HG1 VAL 39 HG12 VAL 39 -6.846 -5.791 -1.733 297 3HG1 VAL 39 HG13 VAL 39 -6.358 -7.227 -0.830 298 1HG2 VAL 39 HG21 VAL 39 -6.738 -4.482 1.701 299 2HG2 VAL 39 HG22 VAL 39 -7.332 -6.087 1.271 300 3HG2 VAL 39 HG23 VAL 39 -7.743 -4.696 0.268 301 H PHE 40 HN PHE 40 -2.580 -4.531 0.705 302 HA PHE 40 HA PHE 40 -3.165 -3.114 3.215 303 1HB PHE 40 HB2 PHE 40 -0.457 -4.040 2.223 304 2HB PHE 40 HB1 PHE 40 -0.701 -2.958 3.591 305 HD1 PHE 40 HD1 PHE 40 -1.733 -3.785 5.658 306 HD2 PHE 40 HD2 PHE 40 -0.840 -6.391 2.413 307 HE1 PHE 40 HE1 PHE 40 -1.973 -5.724 7.153 308 HE2 PHE 40 HE2 PHE 40 -1.080 -8.333 3.903 309 HZ PHE 40 HZ PHE 40 -1.648 -8.002 6.276 310 H ALA 41 HN ALA 41 -3.043 -0.925 3.078 311 HA ALA 41 HA ALA 41 -2.260 0.137 0.447 312 1HB ALA 41 HB1 ALA 41 -4.692 0.049 0.694 313 2HB ALA 41 HB2 ALA 41 -4.104 1.709 0.585 314 3HB ALA 41 HB3 ALA 41 -4.575 1.041 2.148 315 H ILE 42 HN ILE 42 -0.811 1.677 0.463 316 HA ILE 42 HA ILE 42 -0.589 3.420 2.825 317 HB ILE 42 HB ILE 42 1.846 3.601 2.413 318 1HG1 ILE 42 HG12 ILE 42 1.408 1.285 0.508 319 2HG1 ILE 42 HG11 ILE 42 1.841 2.926 0.040 320 1HG2 ILE 42 HG21 ILE 42 2.459 1.421 3.371 321 2HG2 ILE 42 HG22 ILE 42 0.852 0.811 2.977 322 3HG2 ILE 42 HG23 ILE 42 1.036 2.118 4.146 323 1HD1 ILE 42 HD11 ILE 42 3.764 1.434 0.005 324 2HD1 ILE 42 HD12 ILE 42 3.526 1.080 1.716 325 3HD1 ILE 42 HD13 ILE 42 3.961 2.710 1.207 326 H SER 43 HN SER 43 0.802 5.437 2.131 327 HA SER 43 HA SER 43 -0.549 6.767 0.045 328 1HB SER 43 HB2 SER 43 0.585 7.895 1.983 329 2HB SER 43 HB1 SER 43 2.136 7.512 1.236 330 HG SER 43 HG SER 43 1.881 9.139 -0.068 331 H ASN 44 HN ASN 44 -0.224 6.767 -2.079 332 HA ASN 44 HA ASN 44 1.715 4.996 -3.217 333 1HB ASN 44 HB2 ASN 44 -0.563 5.379 -4.173 334 2HB ASN 44 HB1 ASN 44 -0.057 7.002 -4.632 335 1HD2 ASN 44 HD21 ASN 44 -0.398 6.603 -6.800 336 2HD2 ASN 44 HD22 ASN 44 0.639 5.588 -7.735 337 H ILE 45 HN ILE 45 1.521 8.401 -2.624 338 HA ILE 45 HA ILE 45 4.100 8.797 -3.998 339 HB ILE 45 HB ILE 45 2.156 10.920 -3.051 340 1HG1 ILE 45 HG12 ILE 45 1.201 9.638 -4.915 341 2HG1 ILE 45 HG11 ILE 45 1.614 11.273 -5.419 342 1HG2 ILE 45 HG21 ILE 45 3.536 12.460 -4.372 343 2HG2 ILE 45 HG22 ILE 45 4.637 11.139 -4.758 344 3HG2 ILE 45 HG23 ILE 45 4.468 11.688 -3.091 345 1HD1 ILE 45 HD11 ILE 45 2.197 9.657 -7.121 346 2HD1 ILE 45 HD12 ILE 45 3.219 8.790 -5.975 347 3HD1 ILE 45 HD13 ILE 45 3.645 10.428 -6.474 348 H ASP 46 HN ASP 46 5.846 9.124 -2.749 349 HA ASP 46 HA ASP 46 5.497 9.364 0.132 350 1HB ASP 46 HB2 ASP 46 7.182 7.840 -0.200 351 2HB ASP 46 HB1 ASP 46 7.739 8.616 -1.677 352 HA PRO 47 HA PRO 47 6.270 13.731 -0.335 353 1HB PRO 47 HB2 PRO 47 5.035 14.507 1.898 354 2HB PRO 47 HB1 PRO 47 4.127 13.881 0.518 355 1HG PRO 47 HG2 PRO 47 4.754 12.585 3.112 356 2HG PRO 47 HG1 PRO 47 3.362 12.350 2.043 357 1HD PRO 47 HD2 PRO 47 5.706 10.730 2.228 358 2HD PRO 47 HD1 PRO 47 4.365 10.564 1.076 359 H PHE 48 HN PHE 48 7.787 11.609 1.776 360 HA PHE 48 HA PHE 48 9.014 13.706 3.406 361 1HB PHE 48 HB2 PHE 48 8.273 11.473 4.376 362 2HB PHE 48 HB1 PHE 48 9.607 10.741 3.491 363 HD1 PHE 48 HD1 PHE 48 8.651 12.790 6.333 364 HD2 PHE 48 HD2 PHE 48 11.929 11.221 4.120 365 HE1 PHE 48 HE1 PHE 48 10.160 13.327 8.197 366 HE2 PHE 48 HE2 PHE 48 13.446 11.754 5.983 367 HZ PHE 48 HZ PHE 48 12.561 12.808 8.024 368 H PHE 49 HN PHE 49 10.104 11.002 1.369 369 HA PHE 49 HA PHE 49 12.665 12.353 0.951 370 1HB PHE 49 HB2 PHE 49 12.590 9.912 1.476 371 2HB PHE 49 HB1 PHE 49 11.703 9.645 -0.017 372 HD1 PHE 49 HD1 PHE 49 14.900 11.124 1.201 373 HD2 PHE 49 HD2 PHE 49 12.865 9.047 -1.905 374 HE1 PHE 49 HE1 PHE 49 17.027 10.846 -0.003 375 HE2 PHE 49 HE2 PHE 49 14.988 8.770 -3.117 376 HZ PHE 49 HZ PHE 49 17.072 9.668 -2.165 377 H GLU 50 HN GLU 50 9.657 12.325 -0.301 378 HA GLU 50 HA GLU 50 8.636 13.073 -2.159 379 1HB GLU 50 HB2 GLU 50 11.322 14.192 -2.958 380 2HB GLU 50 HB1 GLU 50 9.746 14.667 -3.586 381 1HG GLU 50 HG2 GLU 50 9.114 15.602 -1.480 382 2HG GLU 50 HG1 GLU 50 10.568 14.971 -0.708 383 H SER 51 HN SER 51 8.472 10.818 -2.633 384 HA SER 51 HA SER 51 9.990 10.049 -5.035 385 1HB SER 51 HB2 SER 51 8.645 8.182 -3.066 386 2HB SER 51 HB1 SER 51 9.761 7.749 -4.363 387 HG SER 51 HG SER 51 10.290 9.076 -1.916 388 H SER 52 HN SER 52 8.793 8.966 -6.695 389 HA SER 52 HA SER 52 6.107 9.947 -6.967 390 1HB SER 52 HB2 SER 52 6.340 8.569 -9.183 391 2HB SER 52 HB1 SER 52 7.268 10.053 -8.976 392 HG SER 52 HG SER 52 9.046 8.940 -9.014 393 H VAL 53 HN VAL 53 5.461 7.452 -8.625 394 HA VAL 53 HA VAL 53 3.762 6.350 -6.650 395 HB VAL 53 HB VAL 53 3.050 4.763 -8.419 396 1HG1 VAL 53 HG11 VAL 53 3.241 7.652 -9.268 397 2HG1 VAL 53 HG12 VAL 53 1.996 6.944 -8.237 398 3HG1 VAL 53 HG13 VAL 53 2.119 6.462 -9.929 399 1HG2 VAL 53 HG21 VAL 53 3.939 5.025 -10.695 400 2HG2 VAL 53 HG22 VAL 53 5.176 4.460 -9.571 401 3HG2 VAL 53 HG23 VAL 53 5.155 6.147 -10.084 402 H LEU 54 HN LEU 54 4.032 4.721 -5.319 403 HA LEU 54 HA LEU 54 6.526 3.241 -5.364 404 1HB LEU 54 HB2 LEU 54 4.230 3.133 -3.405 405 2HB LEU 54 HB1 LEU 54 5.798 2.383 -3.186 406 HG LEU 54 HG LEU 54 5.258 5.351 -3.322 407 1HD1 LEU 54 HD11 LEU 54 4.505 4.329 -1.243 408 2HD1 LEU 54 HD12 LEU 54 5.928 5.337 -0.973 409 3HD1 LEU 54 HD13 LEU 54 6.088 3.582 -1.026 410 1HD2 LEU 54 HD21 LEU 54 7.621 5.609 -2.747 411 2HD2 LEU 54 HD22 LEU 54 7.422 4.797 -4.300 412 3HD2 LEU 54 HD23 LEU 54 7.841 3.863 -2.863 413 H SER 55 HN SER 55 3.524 2.868 -6.701 414 HA SER 55 HA SER 55 2.962 0.133 -6.342 415 1HB SER 55 HB2 SER 55 1.676 0.495 -8.548 416 2HB SER 55 HB1 SER 55 1.207 1.468 -7.154 417 HG SER 55 HG SER 55 1.411 2.901 -8.793 418 H ARG 56 HN ARG 56 5.299 1.760 -8.278 419 HA ARG 56 HA ARG 56 5.691 -0.461 -10.100 420 1HB ARG 56 HB2 ARG 56 7.435 0.914 -11.112 421 2HB ARG 56 HB1 ARG 56 5.950 1.835 -10.931 422 1HG ARG 56 HG2 ARG 56 6.832 3.077 -9.121 423 2HG ARG 56 HG1 ARG 56 8.215 1.991 -8.963 424 1HD ARG 56 HD2 ARG 56 7.638 3.875 -11.248 425 2HD ARG 56 HD1 ARG 56 8.925 4.024 -10.051 426 HE ARG 56 HE ARG 56 8.781 1.979 -12.170 427 1HH1 ARG 56 HH11 ARG 56 10.634 3.847 -9.860 428 2HH1 ARG 56 HH12 ARG 56 12.161 3.214 -10.380 429 1HH2 ARG 56 HH21 ARG 56 10.773 1.137 -12.856 430 2HH2 ARG 56 HH22 ARG 56 12.247 1.647 -12.072 431 H GLY 57 HN GLY 57 6.035 -1.302 -7.481 432 1HA GLY 57 HA2 GLY 57 8.952 -1.689 -7.333 433 2HA GLY 57 HA1 GLY 57 8.058 -1.176 -5.909 434 H LEU 58 HN LEU 58 9.560 -3.410 -5.756 435 HA LEU 58 HA LEU 58 7.855 -5.709 -6.359 436 1HB LEU 58 HB2 LEU 58 9.845 -7.060 -5.972 437 2HB LEU 58 HB1 LEU 58 10.151 -5.806 -7.156 438 HG LEU 58 HG LEU 58 11.017 -4.559 -4.914 439 1HD1 LEU 58 HD11 LEU 58 11.624 -7.484 -4.515 440 2HD1 LEU 58 HD12 LEU 58 10.609 -6.477 -3.481 441 3HD1 LEU 58 HD13 LEU 58 12.338 -6.150 -3.607 442 1HD2 LEU 58 HD21 LEU 58 12.241 -4.738 -6.999 443 2HD2 LEU 58 HD22 LEU 58 12.599 -6.433 -6.666 444 3HD2 LEU 58 HD23 LEU 58 13.279 -5.170 -5.641 445 H ILE 59 HN ILE 59 7.239 -7.207 -4.825 446 HA ILE 59 HA ILE 59 7.330 -6.216 -2.050 447 HB ILE 59 HB ILE 59 5.288 -8.070 -3.295 448 1HG1 ILE 59 HG12 ILE 59 5.016 -5.148 -2.544 449 2HG1 ILE 59 HG11 ILE 59 5.174 -5.753 -4.190 450 1HG2 ILE 59 HG21 ILE 59 4.023 -7.695 -1.230 451 2HG2 ILE 59 HG22 ILE 59 5.343 -6.710 -0.600 452 3HG2 ILE 59 HG23 ILE 59 5.592 -8.430 -0.902 453 1HD1 ILE 59 HD11 ILE 59 3.071 -6.975 -3.931 454 2HD1 ILE 59 HD12 ILE 59 2.866 -5.243 -3.672 455 3HD1 ILE 59 HD13 ILE 59 2.913 -6.342 -2.293 456 H ALA 60 HN ALA 60 8.241 -7.451 -0.528 457 HA ALA 60 HA ALA 60 8.681 -10.301 -1.066 458 1HB ALA 60 HB1 ALA 60 10.985 -10.160 -0.274 459 2HB ALA 60 HB2 ALA 60 10.824 -8.416 -0.082 460 3HB ALA 60 HB3 ALA 60 10.748 -9.135 -1.690 461 H GLU 61 HN GLU 61 9.240 -11.504 0.912 462 HA GLU 61 HA GLU 61 8.215 -10.202 3.347 463 1HB GLU 61 HB2 GLU 61 6.564 -11.788 2.351 464 2HB GLU 61 HB1 GLU 61 7.750 -13.076 2.519 465 1HG GLU 61 HG2 GLU 61 7.775 -12.504 4.997 466 2HG GLU 61 HG1 GLU 61 6.319 -11.563 4.673 467 H HIS 62 HN HIS 62 9.423 -10.527 5.174 468 HA HIS 62 HA HIS 62 11.899 -12.050 4.801 469 1HB HIS 62 HB2 HIS 62 11.948 -9.664 5.648 470 2HB HIS 62 HB1 HIS 62 11.202 -10.254 7.130 471 HD1 HIS 62 HD1 HIS 62 12.767 -11.101 8.900 472 HD2 HIS 62 HD2 HIS 62 14.565 -10.857 5.152 473 HE1 HIS 62 HE1 HIS 62 15.200 -11.627 9.273 474 HE2 HIS 62 HE2 HIS 62 16.292 -11.338 7.014 475 H GLN 63 HN GLN 63 9.381 -11.627 7.270 476 HA GLN 63 HA GLN 63 9.202 -14.456 7.712 477 1HB GLN 63 HB2 GLN 63 11.217 -13.770 9.068 478 2HB GLN 63 HB1 GLN 63 10.157 -12.740 10.015 479 1HG GLN 63 HG2 GLN 63 10.476 -14.726 11.249 480 2HG GLN 63 HG1 GLN 63 8.839 -14.790 10.597 481 1HE2 GLN 63 HE21 GLN 63 8.326 -16.314 9.037 482 2HE2 GLN 63 HE22 GLN 63 9.388 -17.631 8.645 483 H GLY 64 HN GLY 64 7.099 -13.641 6.924 484 1HA GLY 64 HA2 GLY 64 4.859 -13.344 7.472 485 2HA GLY 64 HA1 GLY 64 5.335 -13.062 9.141 486 H GLU 65 HN GLU 65 7.286 -11.002 8.315 487 HA GLU 65 HA GLU 65 5.427 -8.788 8.109 488 1HB GLU 65 HB2 GLU 65 7.315 -8.795 9.762 489 2HB GLU 65 HB1 GLU 65 8.435 -8.705 8.409 490 1HG GLU 65 HG2 GLU 65 8.087 -6.524 9.398 491 2HG GLU 65 HG1 GLU 65 7.479 -6.568 7.743 492 H LEU 66 HN LEU 66 5.286 -7.399 6.421 493 HA LEU 66 HA LEU 66 6.398 -8.439 3.912 494 1HB LEU 66 HB2 LEU 66 3.998 -6.681 4.410 495 2HB LEU 66 HB1 LEU 66 4.511 -7.283 2.844 496 HG LEU 66 HG LEU 66 3.703 -9.085 5.122 497 1HD1 LEU 66 HD11 LEU 66 1.820 -7.681 4.506 498 2HD1 LEU 66 HD12 LEU 66 1.570 -9.337 3.955 499 3HD1 LEU 66 HD13 LEU 66 2.053 -8.090 2.807 500 1HD2 LEU 66 HD21 LEU 66 3.492 -10.756 3.352 501 2HD2 LEU 66 HD22 LEU 66 5.133 -10.112 3.431 502 3HD2 LEU 66 HD23 LEU 66 4.032 -9.572 2.163 503 H TRP 67 HN TRP 67 7.720 -7.265 2.696 504 HA TRP 67 HA TRP 67 8.002 -4.395 3.292 505 1HB TRP 67 HB2 TRP 67 10.233 -6.363 2.726 506 2HB TRP 67 HB1 TRP 67 10.438 -4.622 2.881 507 HD1 TRP 67 HD1 TRP 67 9.944 -7.780 4.953 508 HE1 TRP 67 HE1 TRP 67 10.333 -7.219 7.441 509 HE3 TRP 67 HE3 TRP 67 10.228 -2.688 4.591 510 HZ2 TRP 67 HZ2 TRP 67 10.711 -4.914 9.027 511 HZ3 TRP 67 HZ3 TRP 67 10.606 -1.381 6.639 512 HH2 TRP 67 HH2 TRP 67 10.844 -2.468 8.808 513 H VAL 68 HN VAL 68 8.024 -3.083 1.552 514 HA VAL 68 HA VAL 68 8.190 -4.365 -1.095 515 HB VAL 68 HB VAL 68 6.010 -3.351 -0.750 516 1HG1 VAL 68 HG11 VAL 68 5.737 -0.933 -0.441 517 2HG1 VAL 68 HG12 VAL 68 7.485 -0.770 -0.260 518 3HG1 VAL 68 HG13 VAL 68 6.558 -1.691 0.924 519 1HG2 VAL 68 HG21 VAL 68 6.927 -3.286 -2.997 520 2HG2 VAL 68 HG22 VAL 68 7.696 -1.735 -2.657 521 3HG2 VAL 68 HG23 VAL 68 5.937 -1.858 -2.691 522 H ALA 69 HN ALA 69 9.813 -3.824 -2.386 523 HA ALA 69 HA ALA 69 11.606 -1.671 -1.504 524 1HB ALA 69 HB1 ALA 69 12.621 -3.889 -1.679 525 2HB ALA 69 HB2 ALA 69 13.325 -2.767 -2.845 526 3HB ALA 69 HB3 ALA 69 12.151 -3.972 -3.377 527 H SER 70 HN SER 70 11.387 0.177 -2.516 528 HA SER 70 HA SER 70 10.091 0.270 -5.114 529 1HB SER 70 HB2 SER 70 11.011 2.546 -3.347 530 2HB SER 70 HB1 SER 70 9.917 2.656 -4.726 531 HG SER 70 HG SER 70 8.412 1.426 -3.573 532 HA PRO 71 HA PRO 71 14.142 0.517 -7.051 533 1HB PRO 71 HB2 PRO 71 12.635 0.560 -9.550 534 2HB PRO 71 HB1 PRO 71 13.729 -0.679 -8.932 535 1HG PRO 71 HG2 PRO 71 11.061 -1.060 -9.129 536 2HG PRO 71 HG1 PRO 71 12.044 -1.817 -7.860 537 1HD PRO 71 HD2 PRO 71 10.306 0.622 -7.710 538 2HD PRO 71 HD1 PRO 71 10.462 -0.719 -6.554 539 H LEU 72 HN LEU 72 12.321 2.893 -6.327 540 HA LEU 72 HA LEU 72 12.839 4.791 -8.452 541 1HB LEU 72 HB2 LEU 72 11.719 5.096 -5.660 542 2HB LEU 72 HB1 LEU 72 11.964 6.446 -6.747 543 HG LEU 72 HG LEU 72 10.356 5.380 -8.341 544 1HD1 LEU 72 HD11 LEU 72 9.814 3.520 -6.032 545 2HD1 LEU 72 HD12 LEU 72 10.535 3.070 -7.576 546 3HD1 LEU 72 HD13 LEU 72 8.866 3.637 -7.515 547 1HD2 LEU 72 HD21 LEU 72 8.368 5.986 -7.054 548 2HD2 LEU 72 HD22 LEU 72 9.667 7.161 -6.840 549 3HD2 LEU 72 HD23 LEU 72 9.326 5.981 -5.575 550 H LYS 73 HN LYS 73 14.384 3.497 -5.753 551 HA LYS 73 HA LYS 73 16.745 5.074 -6.155 552 1HB LYS 73 HB2 LYS 73 15.286 6.474 -4.607 553 2HB LYS 73 HB1 LYS 73 15.447 5.187 -3.422 554 1HG LYS 73 HG2 LYS 73 17.033 6.843 -2.858 555 2HG LYS 73 HG1 LYS 73 17.937 5.506 -3.571 556 1HD LYS 73 HD2 LYS 73 18.754 7.625 -4.429 557 2HD LYS 73 HD1 LYS 73 17.979 6.702 -5.719 558 1HE LYS 73 HE2 LYS 73 15.943 8.030 -5.444 559 2HE LYS 73 HE1 LYS 73 16.711 8.943 -4.146 560 1HZ LYS 73 HZ1 LYS 73 17.633 8.853 -6.969 561 2HZ LYS 73 HZ2 LYS 73 18.345 9.752 -5.717 562 3HZ LYS 73 HZ3 LYS 73 16.783 10.130 -6.247 563 H LYS 74 HN LYS 74 15.723 3.619 -3.154 564 HA LYS 74 HA LYS 74 16.446 0.943 -3.655 565 1HB LYS 74 HB2 LYS 74 18.710 2.390 -3.461 566 2HB LYS 74 HB1 LYS 74 18.402 2.140 -1.747 567 1HG LYS 74 HG2 LYS 74 19.859 0.414 -2.468 568 2HG LYS 74 HG1 LYS 74 18.272 -0.316 -2.215 569 1HD LYS 74 HD2 LYS 74 17.833 -0.186 -4.622 570 2HD LYS 74 HD1 LYS 74 19.419 0.545 -4.871 571 1HE LYS 74 HE2 LYS 74 19.620 -1.760 -5.410 572 2HE LYS 74 HE1 LYS 74 20.424 -1.519 -3.862 573 1HZ LYS 74 HZ1 LYS 74 17.677 -2.595 -4.234 574 2HZ LYS 74 HZ2 LYS 74 18.463 -2.388 -2.748 575 3HZ LYS 74 HZ3 LYS 74 19.055 -3.512 -3.869 576 H GLN 75 HN GLN 75 14.494 2.760 -2.474 577 HA GLN 75 HA GLN 75 14.751 2.589 0.405 578 1HB GLN 75 HB2 GLN 75 12.659 3.980 0.347 579 2HB GLN 75 HB1 GLN 75 14.031 4.697 -0.488 580 1HG GLN 75 HG2 GLN 75 13.059 3.667 -2.607 581 2HG GLN 75 HG1 GLN 75 11.595 3.410 -1.664 582 1HE2 GLN 75 HE21 GLN 75 11.954 5.881 -0.126 583 2HE2 GLN 75 HE22 GLN 75 11.529 7.165 -1.206 584 H ARG 76 HN ARG 76 13.409 1.455 1.756 585 HA ARG 76 HA ARG 76 11.486 -0.353 0.463 586 1HB ARG 76 HB2 ARG 76 13.397 -0.980 2.715 587 2HB ARG 76 HB1 ARG 76 12.086 -2.038 2.209 588 1HG ARG 76 HG2 ARG 76 13.080 -2.396 0.085 589 2HG ARG 76 HG1 ARG 76 14.263 -1.115 0.353 590 1HD ARG 76 HD2 ARG 76 14.070 -3.688 1.915 591 2HD ARG 76 HD1 ARG 76 15.240 -3.346 0.639 592 HE ARG 76 HE ARG 76 15.207 -1.476 2.859 593 1HH1 ARG 76 HH11 ARG 76 16.663 -4.333 1.451 594 2HH1 ARG 76 HH12 ARG 76 18.122 -4.214 2.389 595 1HH2 ARG 76 HH21 ARG 76 17.107 -1.314 4.114 596 2HH2 ARG 76 HH22 ARG 76 18.363 -2.507 3.932 597 H PHE 77 HN PHE 77 9.557 -0.530 1.327 598 HA PHE 77 HA PHE 77 8.998 0.960 3.808 599 1HB PHE 77 HB2 PHE 77 7.202 0.590 1.398 600 2HB PHE 77 HB1 PHE 77 6.770 1.446 2.872 601 HD1 PHE 77 HD1 PHE 77 7.454 3.684 3.241 602 HD2 PHE 77 HD2 PHE 77 8.890 1.528 -0.133 603 HE1 PHE 77 HE1 PHE 77 8.309 5.779 2.271 604 HE2 PHE 77 HE2 PHE 77 9.747 3.616 -1.109 605 HZ PHE 77 HZ PHE 77 9.457 5.746 0.093 606 H ARG 78 HN ARG 78 7.632 0.032 5.278 607 HA ARG 78 HA ARG 78 6.975 -2.791 4.880 608 1HB ARG 78 HB2 ARG 78 8.074 -1.988 7.004 609 2HB ARG 78 HB1 ARG 78 6.605 -1.086 7.354 610 1HG ARG 78 HG2 ARG 78 5.336 -3.177 7.378 611 2HG ARG 78 HG1 ARG 78 6.822 -4.072 7.056 612 1HD ARG 78 HD2 ARG 78 6.362 -4.175 9.404 613 2HD ARG 78 HD1 ARG 78 7.768 -3.143 9.153 614 HE ARG 78 HE ARG 78 5.980 -1.276 9.297 615 1HH1 ARG 78 HH11 ARG 78 5.904 -4.287 11.080 616 2HH1 ARG 78 HH12 ARG 78 5.171 -3.578 12.495 617 1HH2 ARG 78 HH21 ARG 78 4.975 -0.337 11.154 618 2HH2 ARG 78 HH22 ARG 78 4.637 -1.350 12.524 619 H LEU 79 HN LEU 79 5.253 -2.715 3.485 620 HA LEU 79 HA LEU 79 3.303 -0.677 3.538 621 1HB LEU 79 HB2 LEU 79 2.092 -2.182 1.893 622 2HB LEU 79 HB1 LEU 79 3.686 -1.614 1.447 623 HG LEU 79 HG LEU 79 4.571 -3.866 2.227 624 1HD1 LEU 79 HD11 LEU 79 1.645 -4.580 2.115 625 2HD1 LEU 79 HD12 LEU 79 2.656 -4.562 3.561 626 3HD1 LEU 79 HD13 LEU 79 2.985 -5.717 2.269 627 1HD2 LEU 79 HD21 LEU 79 4.292 -3.232 -0.129 628 2HD2 LEU 79 HD22 LEU 79 2.641 -3.855 -0.087 629 3HD2 LEU 79 HD23 LEU 79 4.003 -4.952 0.140 630 H SER 80 HN SER 80 3.570 -3.423 5.472 631 HA SER 80 HA SER 80 0.865 -4.159 5.726 632 1HB SER 80 HB2 SER 80 1.689 -5.094 7.974 633 2HB SER 80 HB1 SER 80 2.454 -5.716 6.510 634 HG SER 80 HG SER 80 4.071 -5.205 7.958 635 H ASP 81 HN ASP 81 2.893 -1.976 7.685 636 HA ASP 81 HA ASP 81 0.397 -0.871 8.796 637 1HB ASP 81 HB2 ASP 81 1.905 -2.147 10.398 638 2HB ASP 81 HB1 ASP 81 3.063 -0.835 10.203 639 H GLY 82 HN GLY 82 2.707 -0.206 6.633 640 1HA GLY 82 HA2 GLY 82 3.001 1.771 5.459 641 2HA GLY 82 HA1 GLY 82 2.033 2.594 6.668 642 H LEU 83 HN LEU 83 4.958 0.705 7.206 643 HA LEU 83 HA LEU 83 6.158 3.063 8.472 644 1HB LEU 83 HB2 LEU 83 6.014 0.940 9.756 645 2HB LEU 83 HB1 LEU 83 7.033 0.173 8.553 646 HG LEU 83 HG LEU 83 8.757 2.001 9.145 647 1HD1 LEU 83 HD11 LEU 83 6.992 2.127 11.583 648 2HD1 LEU 83 HD12 LEU 83 7.264 3.428 10.425 649 3HD1 LEU 83 HD13 LEU 83 8.593 2.850 11.429 650 1HD2 LEU 83 HD21 LEU 83 8.057 -0.190 11.093 651 2HD2 LEU 83 HD22 LEU 83 9.605 0.651 11.014 652 3HD2 LEU 83 HD23 LEU 83 9.071 -0.341 9.657 653 H CYS 84 HN CYS 84 8.122 3.895 7.808 654 HA CYS 84 HA CYS 84 9.275 2.745 5.355 655 1HB CYS 84 HB2 CYS 84 9.871 5.411 6.662 656 2HB CYS 84 HB1 CYS 84 10.407 4.876 5.073 657 HG CYS 84 HG CYS 84 8.542 6.483 4.190 658 H MET 85 HN MET 85 11.468 2.048 5.337 659 HA MET 85 HA MET 85 12.455 1.160 7.828 660 1HB MET 85 HB2 MET 85 13.875 1.398 5.182 661 2HB MET 85 HB1 MET 85 14.566 0.628 6.603 662 1HG MET 85 HG2 MET 85 12.475 -0.840 6.585 663 2HG MET 85 HG1 MET 85 12.236 -0.242 4.945 664 1HE MET 85 HE1 MET 85 14.473 -2.353 7.352 665 2HE MET 85 HE2 MET 85 15.584 -1.067 6.880 666 3HE MET 85 HE3 MET 85 15.868 -2.721 6.339 667 H GLU 86 HN GLU 86 13.708 3.781 5.740 668 HA GLU 86 HA GLU 86 15.589 4.565 7.794 669 1HB GLU 86 HB2 GLU 86 16.144 4.667 5.368 670 2HB GLU 86 HB1 GLU 86 14.933 5.928 5.174 671 1HG GLU 86 HG2 GLU 86 16.200 7.306 6.808 672 2HG GLU 86 HG1 GLU 86 17.453 6.067 6.808 673 H ASP 87 HN ASP 87 12.648 5.781 6.351 674 HA ASP 87 HA ASP 87 12.633 8.246 7.840 675 1HB ASP 87 HB2 ASP 87 10.283 7.175 6.313 676 2HB ASP 87 HB1 ASP 87 10.822 8.844 6.499 677 H GLU 88 HN GLU 88 12.345 5.422 8.993 678 HA GLU 88 HA GLU 88 10.026 4.475 9.831 679 1HB GLU 88 HB2 GLU 88 12.207 3.564 10.405 680 2HB GLU 88 HB1 GLU 88 12.472 4.864 11.553 681 1HG GLU 88 HG2 GLU 88 10.572 4.034 12.884 682 2HG GLU 88 HG1 GLU 88 10.398 2.692 11.750 683 H GLN 89 HN GLN 89 11.613 7.155 11.587 684 HA GLN 89 HA GLN 89 9.819 7.204 13.736 685 1HB GLN 89 HB2 GLN 89 11.570 9.388 12.609 686 2HB GLN 89 HB1 GLN 89 10.676 9.538 14.113 687 1HG GLN 89 HG2 GLN 89 12.921 8.970 14.643 688 2HG GLN 89 HG1 GLN 89 11.916 7.560 14.972 689 1HE2 GLN 89 HE21 GLN 89 13.635 6.147 14.819 690 2HE2 GLN 89 HE22 GLN 89 14.380 5.748 13.309 691 H PHE 90 HN PHE 90 9.523 8.512 10.545 692 HA PHE 90 HA PHE 90 7.084 9.951 11.368 693 1HB PHE 90 HB2 PHE 90 8.831 10.466 8.947 694 2HB PHE 90 HB1 PHE 90 7.396 11.381 9.401 695 HD1 PHE 90 HD1 PHE 90 10.928 10.839 10.006 696 HD2 PHE 90 HD2 PHE 90 7.435 12.838 11.392 697 HE1 PHE 90 HE1 PHE 90 12.325 12.334 11.370 698 HE2 PHE 90 HE2 PHE 90 8.830 14.336 12.758 699 HZ PHE 90 HZ PHE 90 11.279 14.083 12.746 700 H SER 91 HN SER 91 8.494 8.360 8.520 701 HA SER 91 HA SER 91 7.678 6.935 6.979 702 1HB SER 91 HB2 SER 91 5.679 6.289 9.154 703 2HB SER 91 HB1 SER 91 5.907 5.344 7.682 704 HG SER 91 HG SER 91 7.604 5.647 9.901 705 H VAL 92 HN VAL 92 5.455 6.221 5.883 706 HA VAL 92 HA VAL 92 4.193 8.727 5.078 707 HB VAL 92 HB VAL 92 3.280 7.423 3.178 708 1HG1 VAL 92 HG11 VAL 92 6.265 7.180 3.541 709 2HG1 VAL 92 HG12 VAL 92 5.402 8.594 2.939 710 3HG1 VAL 92 HG13 VAL 92 5.404 7.099 2.002 711 1HG2 VAL 92 HG21 VAL 92 4.112 5.145 2.765 712 2HG2 VAL 92 HG22 VAL 92 3.135 5.234 4.231 713 3HG2 VAL 92 HG23 VAL 92 4.892 5.153 4.347 714 H LYS 93 HN LYS 93 1.770 8.247 4.303 715 HA LYS 93 HA LYS 93 0.378 7.741 6.756 716 1HB LYS 93 HB2 LYS 93 -0.293 9.570 5.257 717 2HB LYS 93 HB1 LYS 93 -0.706 8.396 4.014 718 1HG LYS 93 HG2 LYS 93 -2.460 7.484 5.410 719 2HG LYS 93 HG1 LYS 93 -2.016 8.581 6.719 720 1HD LYS 93 HD2 LYS 93 -2.566 10.493 5.281 721 2HD LYS 93 HD1 LYS 93 -3.044 9.378 3.999 722 1HE LYS 93 HE2 LYS 93 -4.984 10.215 5.228 723 2HE LYS 93 HE1 LYS 93 -4.798 8.473 5.421 724 1HZ LYS 93 HZ1 LYS 93 -3.792 10.436 7.403 725 2HZ LYS 93 HZ2 LYS 93 -3.952 8.761 7.600 726 3HZ LYS 93 HZ3 LYS 93 -5.335 9.739 7.496 727 H HIS 94 HN HIS 94 -0.462 5.902 7.403 728 HA HIS 94 HA HIS 94 -0.697 3.654 5.567 729 1HB HIS 94 HB2 HIS 94 0.266 3.200 7.754 730 2HB HIS 94 HB1 HIS 94 -1.143 3.881 8.555 731 HD1 HIS 94 HD1 HIS 94 -2.911 2.258 9.217 732 HD2 HIS 94 HD2 HIS 94 -0.404 0.733 6.262 733 HE1 HIS 94 HE1 HIS 94 -3.568 -0.157 8.942 734 HE2 HIS 94 HE2 HIS 94 -1.907 -1.099 7.299 735 H TYR 95 HN TYR 95 -2.541 3.090 4.612 736 HA TYR 95 HA TYR 95 -5.028 4.328 5.557 737 1HB TYR 95 HB2 TYR 95 -4.352 3.030 2.906 738 2HB TYR 95 HB1 TYR 95 -5.941 3.658 3.333 739 HD1 TYR 95 HD1 TYR 95 -2.465 4.567 2.537 740 HD2 TYR 95 HD2 TYR 95 -6.385 6.018 3.322 741 HE1 TYR 95 HE1 TYR 95 -1.801 6.785 1.716 742 HE2 TYR 95 HE2 TYR 95 -5.730 8.242 2.503 743 HH TYR 95 HH TYR 95 -3.798 9.577 2.130 744 H GLU 96 HN GLU 96 -6.730 3.101 6.211 745 HA GLU 96 HA GLU 96 -6.100 0.326 6.794 746 1HB GLU 96 HB2 GLU 96 -8.223 2.237 7.727 747 2HB GLU 96 HB1 GLU 96 -8.353 0.514 8.055 748 1HG GLU 96 HG2 GLU 96 -6.240 0.553 9.244 749 2HG GLU 96 HG1 GLU 96 -6.016 2.251 8.836 750 H ALA 97 HN ALA 97 -6.685 -1.242 5.514 751 HA ALA 97 HA ALA 97 -8.896 -0.780 3.625 752 1HB ALA 97 HB1 ALA 97 -7.701 -2.189 2.034 753 2HB ALA 97 HB2 ALA 97 -6.398 -2.416 3.202 754 3HB ALA 97 HB3 ALA 97 -6.709 -0.816 2.528 755 H ARG 98 HN ARG 98 -10.115 -2.625 2.984 756 HA ARG 98 HA ARG 98 -9.741 -5.129 4.392 757 1HB ARG 98 HB2 ARG 98 -11.911 -5.213 5.412 758 2HB ARG 98 HB1 ARG 98 -11.162 -3.706 5.922 759 1HG ARG 98 HG2 ARG 98 -12.474 -2.467 4.313 760 2HG ARG 98 HG1 ARG 98 -13.172 -3.966 3.696 761 1HD ARG 98 HD2 ARG 98 -14.154 -4.390 5.914 762 2HD ARG 98 HD1 ARG 98 -13.503 -2.850 6.477 763 HE ARG 98 HE ARG 98 -14.983 -2.218 4.265 764 1HH1 ARG 98 HH11 ARG 98 -15.611 -3.804 7.321 765 2HH1 ARG 98 HH12 ARG 98 -17.290 -3.340 7.356 766 1HH2 ARG 98 HH21 ARG 98 -17.204 -1.595 4.321 767 2HH2 ARG 98 HH22 ARG 98 -18.179 -2.089 5.671 768 H VAL 99 HN VAL 99 -11.031 -6.841 3.467 769 HA VAL 99 HA VAL 99 -11.933 -6.202 0.752 770 HB VAL 99 HB VAL 99 -11.432 -8.925 1.975 771 1HG1 VAL 99 HG11 VAL 99 -13.029 -9.000 0.143 772 2HG1 VAL 99 HG12 VAL 99 -11.493 -9.714 -0.348 773 3HG1 VAL 99 HG13 VAL 99 -11.920 -8.089 -0.883 774 1HG2 VAL 99 HG21 VAL 99 -9.366 -7.669 1.837 775 2HG2 VAL 99 HG22 VAL 99 -9.702 -7.251 0.158 776 3HG2 VAL 99 HG23 VAL 99 -9.385 -8.927 0.601 777 H LYS 100 HN LYS 100 -13.964 -5.584 0.751 778 HA LYS 100 HA LYS 100 -15.903 -6.770 2.578 779 1HB LYS 100 HB2 LYS 100 -15.930 -4.367 2.423 780 2HB LYS 100 HB1 LYS 100 -16.014 -4.432 0.674 781 1HG LYS 100 HG2 LYS 100 -18.264 -5.328 0.783 782 2HG LYS 100 HG1 LYS 100 -18.184 -5.356 2.548 783 1HD LYS 100 HD2 LYS 100 -18.190 -3.027 2.705 784 2HD LYS 100 HD1 LYS 100 -17.704 -2.821 1.024 785 1HE LYS 100 HE2 LYS 100 -20.037 -2.207 1.340 786 2HE LYS 100 HE1 LYS 100 -19.891 -3.614 0.289 787 1HZ LYS 100 HZ1 LYS 100 -20.463 -3.812 3.191 788 2HZ LYS 100 HZ2 LYS 100 -20.589 -5.037 2.021 789 3HZ LYS 100 HZ3 LYS 100 -21.673 -3.734 2.008 790 H ASP 101 HN ASP 101 -16.213 -8.794 1.739 791 HA ASP 101 HA ASP 101 -17.304 -10.392 0.559 792 1HB ASP 101 HB2 ASP 101 -19.140 -8.587 0.846 793 2HB ASP 101 HB1 ASP 101 -18.858 -8.236 -0.856 794 H GLY 102 HN GLY 102 -14.915 -9.005 -0.573 795 1HA GLY 102 HA2 GLY 102 -13.755 -9.963 -2.460 796 2HA GLY 102 HA1 GLY 102 -15.281 -9.967 -3.330 797 H VAL 103 HN VAL 103 -15.085 -7.084 -1.691 798 HA VAL 103 HA VAL 103 -13.809 -5.751 -3.997 799 HB VAL 103 HB VAL 103 -15.964 -4.594 -2.220 800 1HG1 VAL 103 HG11 VAL 103 -16.119 -2.861 -3.950 801 2HG1 VAL 103 HG12 VAL 103 -14.774 -3.611 -4.810 802 3HG1 VAL 103 HG13 VAL 103 -14.518 -2.913 -3.210 803 1HG2 VAL 103 HG21 VAL 103 -16.203 -5.759 -4.993 804 2HG2 VAL 103 HG22 VAL 103 -17.478 -4.895 -4.133 805 3HG2 VAL 103 HG23 VAL 103 -16.882 -6.433 -3.512 806 H VAL 104 HN VAL 104 -12.335 -4.112 -3.588 807 HA VAL 104 HA VAL 104 -11.112 -4.187 -0.964 808 HB VAL 104 HB VAL 104 -10.284 -2.525 -3.352 809 1HG1 VAL 104 HG11 VAL 104 -8.085 -2.512 -2.264 810 2HG1 VAL 104 HG12 VAL 104 -8.751 -3.420 -0.908 811 3HG1 VAL 104 HG13 VAL 104 -9.322 -1.785 -1.241 812 1HG2 VAL 104 HG21 VAL 104 -9.379 -5.299 -2.560 813 2HG2 VAL 104 HG22 VAL 104 -8.678 -4.319 -3.850 814 3HG2 VAL 104 HG23 VAL 104 -10.345 -4.882 -3.976 815 H GLN 105 HN GLN 105 -11.781 -2.907 0.609 816 HA GLN 105 HA GLN 105 -12.925 -0.279 -0.065 817 1HB GLN 105 HB2 GLN 105 -13.074 -1.743 2.574 818 2HB GLN 105 HB1 GLN 105 -13.972 -0.307 2.109 819 1HG GLN 105 HG2 GLN 105 -14.276 -3.053 0.930 820 2HG GLN 105 HG1 GLN 105 -15.377 -2.270 2.062 821 1HE2 GLN 105 HE21 GLN 105 -16.679 -0.588 1.342 822 2HE2 GLN 105 HE22 GLN 105 -16.973 -0.325 -0.338 823 H LEU 106 HN LEU 106 -12.010 1.571 0.700 824 HA LEU 106 HA LEU 106 -9.608 1.279 2.387 825 1HB LEU 106 HB2 LEU 106 -10.105 3.271 0.171 826 2HB LEU 106 HB1 LEU 106 -8.728 3.309 1.254 827 HG LEU 106 HG LEU 106 -9.342 1.125 -0.737 828 1HD1 LEU 106 HD11 LEU 106 -7.338 1.954 -1.876 829 2HD1 LEU 106 HD12 LEU 106 -7.217 3.264 -0.703 830 3HD1 LEU 106 HD13 LEU 106 -8.599 3.184 -1.796 831 1HD2 LEU 106 HD21 LEU 106 -8.244 0.255 1.259 832 2HD2 LEU 106 HD22 LEU 106 -6.993 1.488 1.116 833 3HD2 LEU 106 HD23 LEU 106 -7.147 0.243 -0.122 834 H ARG 107 HN ARG 107 -9.828 2.202 4.325 835 HA ARG 107 HA ARG 107 -11.482 4.631 4.493 836 1HB ARG 107 HB2 ARG 107 -12.270 2.903 6.044 837 2HB ARG 107 HB1 ARG 107 -10.656 2.755 6.723 838 1HG ARG 107 HG2 ARG 107 -10.753 4.909 7.682 839 2HG ARG 107 HG1 ARG 107 -12.204 5.325 6.773 840 1HD ARG 107 HD2 ARG 107 -12.604 4.808 9.176 841 2HD ARG 107 HD1 ARG 107 -13.530 3.820 8.054 842 HE ARG 107 HE ARG 107 -12.587 2.017 9.029 843 1HH1 ARG 107 HH11 ARG 107 -10.286 4.664 9.357 844 2HH1 ARG 107 HH12 ARG 107 -9.155 3.712 10.282 845 1HH2 ARG 107 HH21 ARG 107 -11.135 0.815 10.284 846 2HH2 ARG 107 HH22 ARG 107 -9.634 1.530 10.796 847 H GLY 108 HN GLY 108 -10.204 6.292 4.132 848 1HA GLY 108 HA2 GLY 108 -7.737 6.497 5.742 849 2HA GLY 108 HA1 GLY 108 -7.811 7.057 4.076 850 H GLY 109 HN GLY 109 -8.259 9.132 3.757 851 1HA GLY 109 HA2 GLY 109 -9.721 10.550 5.890 852 2HA GLY 109 HA1 GLY 109 -8.339 11.258 5.066 853 H SER 110 HN SER 110 -11.173 12.108 5.283 854 HA SER 110 HA SER 110 -11.478 12.784 2.477 855 1HB SER 110 HB2 SER 110 -13.724 11.529 4.083 856 2HB SER 110 HB1 SER 110 -13.893 12.235 2.476 857 HG SER 110 HG SER 110 -11.870 10.418 2.587 Start of MODEL 12 1 HA MET 1 HA MET 1 -14.339 8.349 9.721 2 1HB MET 1 HB2 MET 1 -13.753 9.408 6.945 3 2HB MET 1 HB1 MET 1 -15.369 9.131 7.580 4 1HG MET 1 HG2 MET 1 -14.825 11.465 7.733 5 2HG MET 1 HG1 MET 1 -14.935 10.782 9.353 6 1HE MET 1 HE1 MET 1 -13.688 12.847 10.423 7 2HE MET 1 HE2 MET 1 -13.631 13.606 8.833 8 3HE MET 1 HE3 MET 1 -12.169 13.501 9.814 9 H SER 2 HN SER 2 -15.466 6.515 9.433 10 HA SER 2 HA SER 2 -14.146 4.372 8.050 11 1HB SER 2 HB2 SER 2 -16.231 3.101 8.920 12 2HB SER 2 HB1 SER 2 -15.041 3.697 10.078 13 HG SER 2 HG SER 2 -17.647 4.566 9.569 14 H GLN 3 HN GLN 3 -15.052 6.381 6.257 15 HA GLN 3 HA GLN 3 -17.311 5.207 4.867 16 1HB GLN 3 HB2 GLN 3 -16.155 7.758 4.901 17 2HB GLN 3 HB1 GLN 3 -15.777 7.117 3.309 18 1HG GLN 3 HG2 GLN 3 -18.533 7.286 4.511 19 2HG GLN 3 HG1 GLN 3 -17.858 8.408 3.335 20 1HE2 GLN 3 HE21 GLN 3 -16.513 6.309 1.815 21 2HE2 GLN 3 HE22 GLN 3 -17.759 5.470 0.953 22 H TRP 4 HN TRP 4 -16.274 3.134 4.733 23 HA TRP 4 HA TRP 4 -13.911 2.613 3.326 24 1HB TRP 4 HB2 TRP 4 -16.361 0.919 3.827 25 2HB TRP 4 HB1 TRP 4 -14.913 0.301 3.049 26 HD1 TRP 4 HD1 TRP 4 -16.082 1.685 6.459 27 HE1 TRP 4 HE1 TRP 4 -14.500 0.769 8.283 28 HE3 TRP 4 HE3 TRP 4 -12.668 -0.658 3.469 29 HZ2 TRP 4 HZ2 TRP 4 -12.131 -0.755 8.419 30 HZ3 TRP 4 HZ3 TRP 4 -10.787 -1.833 4.524 31 HH2 TRP 4 HH2 TRP 4 -10.523 -1.880 6.947 32 H LYS 5 HN LYS 5 -13.606 3.426 1.343 33 HA LYS 5 HA LYS 5 -15.684 3.710 -0.591 34 1HB LYS 5 HB2 LYS 5 -12.687 3.952 -0.806 35 2HB LYS 5 HB1 LYS 5 -13.772 4.239 -2.156 36 1HG LYS 5 HG2 LYS 5 -14.879 6.011 -0.761 37 2HG LYS 5 HG1 LYS 5 -13.572 5.802 0.408 38 1HD LYS 5 HD2 LYS 5 -13.097 7.664 -1.098 39 2HD LYS 5 HD1 LYS 5 -11.933 6.358 -1.336 40 1HE LYS 5 HE2 LYS 5 -13.256 5.579 -3.272 41 2HE LYS 5 HE1 LYS 5 -14.347 6.944 -3.048 42 1HZ LYS 5 HZ1 LYS 5 -11.449 7.126 -3.681 43 2HZ LYS 5 HZ2 LYS 5 -12.493 8.445 -3.467 44 3HZ LYS 5 HZ3 LYS 5 -12.719 7.385 -4.773 45 H ASP 6 HN ASP 6 -16.324 2.386 -2.166 46 HA ASP 6 HA ASP 6 -15.158 -0.247 -2.417 47 1HB ASP 6 HB2 ASP 6 -17.307 1.030 -4.125 48 2HB ASP 6 HB1 ASP 6 -16.928 -0.683 -4.018 49 H ILE 7 HN ILE 7 -13.258 -0.386 -3.482 50 HA ILE 7 HA ILE 7 -12.638 1.545 -5.572 51 HB ILE 7 HB ILE 7 -10.929 -0.722 -4.529 52 1HG1 ILE 7 HG12 ILE 7 -11.477 0.867 -2.747 53 2HG1 ILE 7 HG11 ILE 7 -9.783 1.011 -3.204 54 1HG2 ILE 7 HG21 ILE 7 -10.249 0.024 -6.732 55 2HG2 ILE 7 HG22 ILE 7 -9.073 0.554 -5.528 56 3HG2 ILE 7 HG23 ILE 7 -10.240 1.701 -6.188 57 1HD1 ILE 7 HD11 ILE 7 -12.006 2.840 -4.074 58 2HD1 ILE 7 HD12 ILE 7 -10.307 2.988 -4.525 59 3HD1 ILE 7 HD13 ILE 7 -10.794 3.186 -2.842 60 H CYS 8 HN CYS 8 -12.085 -1.953 -5.436 61 HA CYS 8 HA CYS 8 -13.516 -2.462 -7.865 62 1HB CYS 8 HB2 CYS 8 -11.324 -1.417 -8.637 63 2HB CYS 8 HB1 CYS 8 -10.506 -2.809 -7.935 64 HG CYS 8 HG CYS 8 -10.456 -3.673 -10.411 65 H LYS 9 HN LYS 9 -13.120 -4.826 -8.492 66 HA LYS 9 HA LYS 9 -13.444 -6.412 -6.160 67 1HB LYS 9 HB2 LYS 9 -13.121 -7.104 -9.072 68 2HB LYS 9 HB1 LYS 9 -13.385 -8.312 -7.823 69 1HG LYS 9 HG2 LYS 9 -15.266 -6.021 -8.039 70 2HG LYS 9 HG1 LYS 9 -15.393 -7.350 -9.196 71 1HD LYS 9 HD2 LYS 9 -15.498 -8.916 -7.239 72 2HD LYS 9 HD1 LYS 9 -15.588 -7.501 -6.187 73 1HE LYS 9 HE2 LYS 9 -17.652 -6.815 -7.168 74 2HE LYS 9 HE1 LYS 9 -17.515 -8.029 -8.438 75 1HZ LYS 9 HZ1 LYS 9 -17.684 -9.742 -6.693 76 2HZ LYS 9 HZ2 LYS 9 -19.067 -8.778 -6.817 77 3HZ LYS 9 HZ3 LYS 9 -17.975 -8.530 -5.545 78 H ILE 10 HN ILE 10 -12.119 -8.044 -5.336 79 HA ILE 10 HA ILE 10 -9.322 -7.505 -5.405 80 HB ILE 10 HB ILE 10 -10.508 -8.414 -3.414 81 1HG1 ILE 10 HG12 ILE 10 -8.748 -10.043 -2.775 82 2HG1 ILE 10 HG11 ILE 10 -8.218 -10.093 -4.454 83 1HG2 ILE 10 HG21 ILE 10 -10.579 -10.978 -4.995 84 2HG2 ILE 10 HG22 ILE 10 -11.969 -9.999 -4.527 85 3HG2 ILE 10 HG23 ILE 10 -11.004 -10.805 -3.290 86 1HD1 ILE 10 HD11 ILE 10 -7.636 -7.739 -4.355 87 2HD1 ILE 10 HD12 ILE 10 -6.803 -8.650 -3.095 88 3HD1 ILE 10 HD13 ILE 10 -8.205 -7.659 -2.686 89 H ASP 11 HN ASP 11 -11.404 -9.329 -7.346 90 HA ASP 11 HA ASP 11 -9.627 -11.261 -8.380 91 1HB ASP 11 HB2 ASP 11 -12.056 -11.358 -8.728 92 2HB ASP 11 HB1 ASP 11 -11.979 -9.896 -9.706 93 H ASP 12 HN ASP 12 -9.993 -7.868 -8.926 94 HA ASP 12 HA ASP 12 -8.617 -7.803 -11.441 95 1HB ASP 12 HB2 ASP 12 -10.247 -6.094 -10.966 96 2HB ASP 12 HB1 ASP 12 -9.409 -5.644 -9.487 97 H ILE 13 HN ILE 13 -7.794 -7.191 -8.087 98 HA ILE 13 HA ILE 13 -5.033 -6.564 -8.775 99 HB ILE 13 HB ILE 13 -6.255 -6.772 -6.018 100 1HG1 ILE 13 HG12 ILE 13 -5.883 -4.299 -7.724 101 2HG1 ILE 13 HG11 ILE 13 -7.427 -5.096 -7.442 102 1HG2 ILE 13 HG21 ILE 13 -4.352 -5.366 -5.364 103 2HG2 ILE 13 HG22 ILE 13 -3.750 -5.416 -7.022 104 3HG2 ILE 13 HG23 ILE 13 -3.821 -6.895 -6.063 105 1HD1 ILE 13 HD11 ILE 13 -7.167 -3.143 -6.027 106 2HD1 ILE 13 HD12 ILE 13 -5.692 -3.822 -5.338 107 3HD1 ILE 13 HD13 ILE 13 -7.242 -4.615 -5.059 108 H LEU 14 HN LEU 14 -3.780 -8.247 -9.205 109 HA LEU 14 HA LEU 14 -4.253 -10.866 -8.103 110 1HB LEU 14 HB2 LEU 14 -1.940 -9.832 -9.753 111 2HB LEU 14 HB1 LEU 14 -2.300 -11.518 -9.433 112 HG LEU 14 HG LEU 14 -4.026 -9.627 -11.036 113 1HD1 LEU 14 HD11 LEU 14 -1.988 -10.209 -12.209 114 2HD1 LEU 14 HD12 LEU 14 -3.369 -11.030 -12.937 115 3HD1 LEU 14 HD13 LEU 14 -2.269 -11.921 -11.887 116 1HD2 LEU 14 HD21 LEU 14 -5.347 -11.311 -9.854 117 2HD2 LEU 14 HD22 LEU 14 -4.325 -12.584 -10.523 118 3HD2 LEU 14 HD23 LEU 14 -5.333 -11.608 -11.592 119 HA PRO 15 HA PRO 15 -1.382 -10.881 -4.672 120 1HB PRO 15 HB2 PRO 15 0.268 -13.015 -5.291 121 2HB PRO 15 HB1 PRO 15 -1.292 -13.142 -4.478 122 1HG PRO 15 HG2 PRO 15 -0.610 -13.575 -7.352 123 2HG PRO 15 HG1 PRO 15 -1.745 -14.468 -6.320 124 1HD PRO 15 HD2 PRO 15 -2.587 -12.666 -8.131 125 2HD PRO 15 HD1 PRO 15 -3.410 -12.876 -6.571 126 H GLU 16 HN GLU 16 0.564 -10.019 -4.132 127 HA GLU 16 HA GLU 16 2.477 -8.832 -4.330 128 1HB GLU 16 HB2 GLU 16 2.884 -10.692 -6.665 129 2HB GLU 16 HB1 GLU 16 4.074 -9.491 -6.187 130 1HG GLU 16 HG2 GLU 16 4.163 -10.540 -3.950 131 2HG GLU 16 HG1 GLU 16 3.076 -11.799 -4.539 132 H THR 17 HN THR 17 0.019 -7.879 -5.605 133 HA THR 17 HA THR 17 1.231 -6.224 -7.731 134 HB THR 17 HB THR 17 -1.686 -7.008 -7.620 135 HG1 THR 17 HG1 THR 17 -0.654 -8.887 -8.090 136 1HG2 THR 17 HG21 THR 17 -1.696 -6.249 -9.953 137 2HG2 THR 17 HG22 THR 17 0.005 -5.801 -9.814 138 3HG2 THR 17 HG23 THR 17 -1.212 -4.952 -8.859 139 H GLY 18 HN GLY 18 1.001 -4.072 -7.583 140 1HA GLY 18 HA2 GLY 18 -0.852 -3.022 -5.540 141 2HA GLY 18 HA1 GLY 18 0.726 -2.310 -5.862 142 H VAL 19 HN VAL 19 -2.094 -1.264 -6.099 143 HA VAL 19 HA VAL 19 -1.804 -0.236 -8.837 144 HB VAL 19 HB VAL 19 -4.258 -0.243 -9.125 145 1HG1 VAL 19 HG11 VAL 19 -2.965 -2.039 -10.106 146 2HG1 VAL 19 HG12 VAL 19 -4.511 -2.660 -9.525 147 3HG1 VAL 19 HG13 VAL 19 -3.039 -2.952 -8.598 148 1HG2 VAL 19 HG21 VAL 19 -5.653 -1.623 -7.638 149 2HG2 VAL 19 HG22 VAL 19 -4.940 -0.249 -6.793 150 3HG2 VAL 19 HG23 VAL 19 -4.265 -1.864 -6.578 151 H CYS 20 HN CYS 20 -2.860 1.840 -9.184 152 HA CYS 20 HA CYS 20 -2.706 3.467 -6.753 153 1HB CYS 20 HB2 CYS 20 -1.287 4.119 -8.659 154 2HB CYS 20 HB1 CYS 20 -2.719 4.294 -9.667 155 HG CYS 20 HG CYS 20 -3.364 6.692 -8.943 156 H ALA 21 HN ALA 21 -4.413 4.417 -5.878 157 HA ALA 21 HA ALA 21 -6.848 4.789 -7.473 158 1HB ALA 21 HB1 ALA 21 -6.763 3.619 -4.691 159 2HB ALA 21 HB2 ALA 21 -7.175 2.752 -6.170 160 3HB ALA 21 HB3 ALA 21 -8.223 4.043 -5.583 161 H LEU 22 HN LEU 22 -8.444 6.168 -5.947 162 HA LEU 22 HA LEU 22 -6.791 8.269 -4.694 163 1HB LEU 22 HB2 LEU 22 -9.219 8.618 -6.448 164 2HB LEU 22 HB1 LEU 22 -8.495 9.907 -5.508 165 HG LEU 22 HG LEU 22 -7.149 8.403 -7.755 166 1HD1 LEU 22 HD11 LEU 22 -8.896 9.887 -8.561 167 2HD1 LEU 22 HD12 LEU 22 -7.306 10.550 -8.945 168 3HD1 LEU 22 HD13 LEU 22 -8.239 11.213 -7.602 169 1HD2 LEU 22 HD21 LEU 22 -5.565 9.125 -6.025 170 2HD2 LEU 22 HD22 LEU 22 -6.195 10.768 -6.142 171 3HD2 LEU 22 HD23 LEU 22 -5.360 10.045 -7.517 172 H LEU 23 HN LEU 23 -7.473 9.086 -2.780 173 HA LEU 23 HA LEU 23 -10.161 8.409 -1.837 174 1HB LEU 23 HB2 LEU 23 -8.328 6.721 -1.096 175 2HB LEU 23 HB1 LEU 23 -7.787 8.003 -0.036 176 HG LEU 23 HG LEU 23 -10.600 6.911 0.044 177 1HD1 LEU 23 HD11 LEU 23 -9.053 5.086 0.478 178 2HD1 LEU 23 HD12 LEU 23 -9.867 5.575 1.965 179 3HD1 LEU 23 HD13 LEU 23 -8.203 6.073 1.668 180 1HD2 LEU 23 HD21 LEU 23 -10.607 7.873 2.288 181 2HD2 LEU 23 HD22 LEU 23 -10.282 9.104 1.068 182 3HD2 LEU 23 HD23 LEU 23 -8.962 8.462 2.044 183 H GLY 24 HN GLY 24 -10.899 10.449 -1.736 184 1HA GLY 24 HA2 GLY 24 -11.213 12.505 -0.671 185 2HA GLY 24 HA1 GLY 24 -9.699 12.259 0.195 186 H ASP 25 HN ASP 25 -7.919 13.271 -0.500 187 HA ASP 25 HA ASP 25 -7.882 14.263 -3.276 188 1HB ASP 25 HB2 ASP 25 -7.013 15.741 -0.785 189 2HB ASP 25 HB1 ASP 25 -6.529 16.225 -2.406 190 H GLU 26 HN GLU 26 -6.616 12.172 -1.197 191 HA GLU 26 HA GLU 26 -3.835 12.530 -2.051 192 1HB GLU 26 HB2 GLU 26 -5.020 10.824 0.145 193 2HB GLU 26 HB1 GLU 26 -3.312 10.872 -0.271 194 1HG GLU 26 HG2 GLU 26 -3.152 13.170 0.376 195 2HG GLU 26 HG1 GLU 26 -4.895 13.269 0.620 196 H GLN 27 HN GLN 27 -2.731 10.939 -3.118 197 HA GLN 27 HA GLN 27 -4.342 8.930 -4.446 198 1HB GLN 27 HB2 GLN 27 -2.238 8.416 -5.706 199 2HB GLN 27 HB1 GLN 27 -2.812 10.064 -5.889 200 1HG GLN 27 HG2 GLN 27 -0.679 9.334 -3.913 201 2HG GLN 27 HG1 GLN 27 -0.311 9.696 -5.598 202 1HE2 GLN 27 HE21 GLN 27 -0.563 11.800 -6.350 203 2HE2 GLN 27 HE22 GLN 27 -0.741 13.149 -5.280 204 H VAL 28 HN VAL 28 -4.471 6.898 -3.875 205 HA VAL 28 HA VAL 28 -2.796 5.984 -1.636 206 HB VAL 28 HB VAL 28 -5.559 5.034 -2.424 207 1HG1 VAL 28 HG11 VAL 28 -5.557 3.911 -0.244 208 2HG1 VAL 28 HG12 VAL 28 -3.890 4.427 0.013 209 3HG1 VAL 28 HG13 VAL 28 -4.275 3.306 -1.293 210 1HG2 VAL 28 HG21 VAL 28 -4.715 6.849 -0.171 211 2HG2 VAL 28 HG22 VAL 28 -6.342 6.226 -0.439 212 3HG2 VAL 28 HG23 VAL 28 -5.617 7.326 -1.611 213 H ALA 29 HN ALA 29 -1.597 4.201 -1.873 214 HA ALA 29 HA ALA 29 -1.799 2.735 -4.405 215 1HB ALA 29 HB1 ALA 29 0.404 2.756 -2.344 216 2HB ALA 29 HB2 ALA 29 0.399 3.651 -3.864 217 3HB ALA 29 HB3 ALA 29 0.435 1.887 -3.878 218 H ILE 30 HN ILE 30 -2.963 0.953 -4.358 219 HA ILE 30 HA ILE 30 -3.423 -0.419 -1.813 220 HB ILE 30 HB ILE 30 -4.710 -0.971 -4.494 221 1HG1 ILE 30 HG12 ILE 30 -5.793 0.687 -2.203 222 2HG1 ILE 30 HG11 ILE 30 -5.132 1.351 -3.694 223 1HG2 ILE 30 HG21 ILE 30 -4.831 -2.823 -2.915 224 2HG2 ILE 30 HG22 ILE 30 -6.423 -2.100 -3.152 225 3HG2 ILE 30 HG23 ILE 30 -5.502 -1.749 -1.688 226 1HD1 ILE 30 HD11 ILE 30 -6.890 0.217 -4.963 227 2HD1 ILE 30 HD12 ILE 30 -7.545 1.330 -3.764 228 3HD1 ILE 30 HD13 ILE 30 -7.561 -0.407 -3.457 229 H PHE 31 HN PHE 31 -2.017 -1.977 -1.324 230 HA PHE 31 HA PHE 31 -0.833 -3.522 -3.531 231 1HB PHE 31 HB2 PHE 31 0.182 -3.070 -0.717 232 2HB PHE 31 HB1 PHE 31 0.950 -4.120 -1.900 233 HD1 PHE 31 HD1 PHE 31 0.583 -0.765 -0.688 234 HD2 PHE 31 HD2 PHE 31 1.879 -3.106 -3.996 235 HE1 PHE 31 HE1 PHE 31 1.895 1.139 -1.515 236 HE2 PHE 31 HE2 PHE 31 3.191 -1.201 -4.831 237 HZ PHE 31 HZ PHE 31 3.203 0.923 -3.590 238 H ARG 32 HN ARG 32 -1.535 -5.527 -3.779 239 HA ARG 32 HA ARG 32 -2.526 -6.983 -1.426 240 1HB ARG 32 HB2 ARG 32 -3.939 -7.036 -3.469 241 2HB ARG 32 HB1 ARG 32 -2.605 -7.763 -4.356 242 1HG ARG 32 HG2 ARG 32 -2.688 -9.710 -2.852 243 2HG ARG 32 HG1 ARG 32 -4.062 -8.983 -2.015 244 1HD ARG 32 HD2 ARG 32 -5.318 -8.992 -4.133 245 2HD ARG 32 HD1 ARG 32 -3.952 -9.786 -4.917 246 HE ARG 32 HE ARG 32 -4.854 -11.224 -2.624 247 1HH1 ARG 32 HH11 ARG 32 -5.578 -10.601 -5.995 248 2HH1 ARG 32 HH12 ARG 32 -6.378 -12.128 -6.235 249 1HH2 ARG 32 HH21 ARG 32 -5.929 -13.219 -2.947 250 2HH2 ARG 32 HH22 ARG 32 -6.574 -13.603 -4.512 251 HA PRO 33 HA PRO 33 1.684 -8.557 -1.726 252 1HB PRO 33 HB2 PRO 33 2.092 -8.890 0.903 253 2HB PRO 33 HB1 PRO 33 2.104 -7.293 0.150 254 1HG PRO 33 HG2 PRO 33 0.012 -8.586 1.818 255 2HG PRO 33 HG1 PRO 33 0.461 -6.877 1.703 256 1HD PRO 33 HD2 PRO 33 -1.706 -8.132 0.425 257 2HD PRO 33 HD1 PRO 33 -1.070 -6.514 0.075 258 H TYR 34 HN TYR 34 -0.885 -10.040 0.227 259 HA TYR 34 HA TYR 34 0.447 -12.622 0.085 260 1HB TYR 34 HB2 TYR 34 -2.071 -11.716 1.486 261 2HB TYR 34 HB1 TYR 34 -1.498 -13.381 1.498 262 HD1 TYR 34 HD1 TYR 34 0.563 -13.969 2.711 263 HD2 TYR 34 HD2 TYR 34 -1.016 -10.023 2.840 264 HE1 TYR 34 HE1 TYR 34 1.958 -13.486 4.675 265 HE2 TYR 34 HE2 TYR 34 0.380 -9.522 4.803 266 HH TYR 34 HH TYR 34 2.934 -11.508 5.807 267 H HIS 35 HN HIS 35 -0.896 -14.542 -0.502 268 HA HIS 35 HA HIS 35 -2.011 -14.102 -3.126 269 1HB HIS 35 HB2 HIS 35 -0.543 -16.083 -2.189 270 2HB HIS 35 HB1 HIS 35 -2.102 -16.743 -1.717 271 HD1 HIS 35 HD1 HIS 35 0.233 -16.823 -4.386 272 HD2 HIS 35 HD2 HIS 35 -3.919 -16.829 -4.156 273 HE1 HIS 35 HE1 HIS 35 -0.569 -17.728 -6.595 274 HE2 HIS 35 HE2 HIS 35 -3.078 -17.487 -6.514 275 H SER 36 HN SER 36 -3.232 -14.032 -0.035 276 HA SER 36 HA SER 36 -5.873 -15.032 -0.804 277 1HB SER 36 HB2 SER 36 -4.687 -15.825 1.314 278 2HB SER 36 HB1 SER 36 -4.973 -14.211 1.962 279 HG SER 36 HG SER 36 -6.737 -15.245 2.610 280 H ASP 37 HN ASP 37 -7.200 -13.472 1.273 281 HA ASP 37 HA ASP 37 -7.768 -11.141 -0.336 282 1HB ASP 37 HB2 ASP 37 -9.637 -10.807 1.178 283 2HB ASP 37 HB1 ASP 37 -9.555 -12.504 0.716 284 H GLN 38 HN GLN 38 -5.439 -11.688 1.873 285 HA GLN 38 HA GLN 38 -5.661 -9.419 3.575 286 1HB GLN 38 HB2 GLN 38 -3.256 -11.107 2.861 287 2HB GLN 38 HB1 GLN 38 -3.288 -9.898 4.136 288 1HG GLN 38 HG2 GLN 38 -5.109 -11.200 5.230 289 2HG GLN 38 HG1 GLN 38 -4.868 -12.453 4.014 290 1HE2 GLN 38 HE21 GLN 38 -3.011 -13.722 4.085 291 2HE2 GLN 38 HE22 GLN 38 -1.972 -13.758 5.471 292 H VAL 39 HN VAL 39 -5.706 -7.448 2.739 293 HA VAL 39 HA VAL 39 -3.622 -6.699 0.790 294 HB VAL 39 HB VAL 39 -5.254 -5.097 -0.212 295 1HG1 VAL 39 HG11 VAL 39 -6.044 -8.001 -0.312 296 2HG1 VAL 39 HG12 VAL 39 -4.802 -7.221 -1.293 297 3HG1 VAL 39 HG13 VAL 39 -6.497 -6.775 -1.495 298 1HG2 VAL 39 HG21 VAL 39 -7.644 -5.421 0.195 299 2HG2 VAL 39 HG22 VAL 39 -6.805 -4.923 1.664 300 3HG2 VAL 39 HG23 VAL 39 -7.270 -6.610 1.442 301 H PHE 40 HN PHE 40 -2.938 -4.478 0.872 302 HA PHE 40 HA PHE 40 -3.744 -2.960 3.248 303 1HB PHE 40 HB2 PHE 40 -0.882 -3.657 2.542 304 2HB PHE 40 HB1 PHE 40 -1.345 -2.456 3.742 305 HD1 PHE 40 HD1 PHE 40 -0.805 -5.954 3.070 306 HD2 PHE 40 HD2 PHE 40 -2.575 -3.198 5.792 307 HE1 PHE 40 HE1 PHE 40 -0.896 -7.714 4.790 308 HE2 PHE 40 HE2 PHE 40 -2.668 -4.953 7.513 309 HZ PHE 40 HZ PHE 40 -1.829 -7.213 7.013 310 H ALA 41 HN ALA 41 -3.410 -0.703 3.059 311 HA ALA 41 HA ALA 41 -2.449 0.215 0.443 312 1HB ALA 41 HB1 ALA 41 -4.285 1.787 0.272 313 2HB ALA 41 HB2 ALA 41 -4.947 1.210 1.801 314 3HB ALA 41 HB3 ALA 41 -4.900 0.139 0.401 315 H ILE 42 HN ILE 42 -1.312 2.078 0.440 316 HA ILE 42 HA ILE 42 -1.208 3.718 2.866 317 HB ILE 42 HB ILE 42 1.268 3.912 2.648 318 1HG1 ILE 42 HG12 ILE 42 0.983 1.499 0.838 319 2HG1 ILE 42 HG11 ILE 42 1.447 3.117 0.317 320 1HG2 ILE 42 HG21 ILE 42 0.211 1.160 3.263 321 2HG2 ILE 42 HG22 ILE 42 0.308 2.522 4.378 322 3HG2 ILE 42 HG23 ILE 42 1.786 1.779 3.762 323 1HD1 ILE 42 HD11 ILE 42 2.999 1.388 2.232 324 2HD1 ILE 42 HD12 ILE 42 3.470 2.985 1.651 325 3HD1 ILE 42 HD13 ILE 42 3.373 1.632 0.524 326 H SER 43 HN SER 43 0.161 5.784 2.330 327 HA SER 43 HA SER 43 -0.977 7.039 0.076 328 1HB SER 43 HB2 SER 43 0.749 8.839 0.590 329 2HB SER 43 HB1 SER 43 -0.346 8.418 1.907 330 HG SER 43 HG SER 43 2.242 7.293 1.583 331 H ASN 44 HN ASN 44 -0.228 7.365 -1.956 332 HA ASN 44 HA ASN 44 1.686 5.414 -2.878 333 1HB ASN 44 HB2 ASN 44 -0.531 5.956 -3.971 334 2HB ASN 44 HB1 ASN 44 0.175 7.479 -4.489 335 1HD2 ASN 44 HD21 ASN 44 -0.117 6.967 -6.645 336 2HD2 ASN 44 HD22 ASN 44 0.869 5.806 -7.458 337 H ILE 45 HN ILE 45 2.295 8.242 -1.515 338 HA ILE 45 HA ILE 45 4.191 9.202 -3.555 339 HB ILE 45 HB ILE 45 2.995 10.674 -1.199 340 1HG1 ILE 45 HG12 ILE 45 1.415 10.303 -3.052 341 2HG1 ILE 45 HG11 ILE 45 1.825 12.007 -2.883 342 1HG2 ILE 45 HG21 ILE 45 4.100 12.666 -2.083 343 2HG2 ILE 45 HG22 ILE 45 4.867 11.687 -3.333 344 3HG2 ILE 45 HG23 ILE 45 5.271 11.425 -1.636 345 1HD1 ILE 45 HD11 ILE 45 1.742 11.342 -5.213 346 2HD1 ILE 45 HD12 ILE 45 2.970 10.111 -4.921 347 3HD1 ILE 45 HD13 ILE 45 3.376 11.819 -4.753 348 H ASP 46 HN ASP 46 6.296 8.957 -3.204 349 HA ASP 46 HA ASP 46 7.322 8.454 -0.513 350 1HB ASP 46 HB2 ASP 46 8.292 7.095 -2.274 351 2HB ASP 46 HB1 ASP 46 8.669 8.523 -3.230 352 HA PRO 47 HA PRO 47 7.863 12.877 -0.381 353 1HB PRO 47 HB2 PRO 47 8.184 13.121 2.267 354 2HB PRO 47 HB1 PRO 47 6.623 12.699 1.557 355 1HG PRO 47 HG2 PRO 47 8.625 10.951 2.906 356 2HG PRO 47 HG1 PRO 47 6.856 10.892 2.971 357 1HD PRO 47 HD2 PRO 47 8.470 9.274 1.378 358 2HD PRO 47 HD1 PRO 47 6.736 9.551 1.137 359 H PHE 48 HN PHE 48 10.280 10.593 0.007 360 HA PHE 48 HA PHE 48 12.247 12.501 1.023 361 1HB PHE 48 HB2 PHE 48 12.159 10.053 1.766 362 2HB PHE 48 HB1 PHE 48 12.802 9.656 0.177 363 HD1 PHE 48 HD1 PHE 48 15.083 10.282 -0.433 364 HD2 PHE 48 HD2 PHE 48 13.520 11.108 3.437 365 HE1 PHE 48 HE1 PHE 48 17.361 10.696 0.395 366 HE2 PHE 48 HE2 PHE 48 15.795 11.522 4.272 367 HZ PHE 48 HZ PHE 48 17.721 11.318 2.749 368 H PHE 49 HN PHE 49 11.932 10.312 -1.768 369 HA PHE 49 HA PHE 49 13.861 11.971 -3.235 370 1HB PHE 49 HB2 PHE 49 12.718 9.229 -3.804 371 2HB PHE 49 HB1 PHE 49 13.775 10.094 -4.915 372 HD1 PHE 49 HD1 PHE 49 13.591 8.034 -1.973 373 HD2 PHE 49 HD2 PHE 49 16.110 10.641 -4.199 374 HE1 PHE 49 HE1 PHE 49 15.561 7.117 -0.815 375 HE2 PHE 49 HE2 PHE 49 18.082 9.729 -3.047 376 HZ PHE 49 HZ PHE 49 17.806 7.963 -1.352 377 H GLU 50 HN GLU 50 10.615 11.693 -2.773 378 HA GLU 50 HA GLU 50 8.836 12.739 -3.675 379 1HB GLU 50 HB2 GLU 50 10.910 14.092 -5.406 380 2HB GLU 50 HB1 GLU 50 9.213 14.547 -5.339 381 1HG GLU 50 HG2 GLU 50 9.430 15.112 -2.993 382 2HG GLU 50 HG1 GLU 50 11.116 14.599 -3.008 383 H SER 51 HN SER 51 9.021 10.253 -4.453 384 HA SER 51 HA SER 51 8.509 10.293 -7.338 385 1HB SER 51 HB2 SER 51 8.460 7.758 -7.066 386 2HB SER 51 HB1 SER 51 10.022 8.537 -6.833 387 HG SER 51 HG SER 51 9.767 8.325 -4.625 388 H SER 52 HN SER 52 6.511 10.049 -8.117 389 HA SER 52 HA SER 52 4.403 10.521 -6.241 390 1HB SER 52 HB2 SER 52 3.162 10.409 -8.661 391 2HB SER 52 HB1 SER 52 3.950 11.844 -8.005 392 HG SER 52 HG SER 52 5.752 11.426 -9.207 393 H VAL 53 HN VAL 53 5.632 7.686 -7.679 394 HA VAL 53 HA VAL 53 3.190 6.323 -6.778 395 HB VAL 53 HB VAL 53 3.643 4.551 -8.520 396 1HG1 VAL 53 HG11 VAL 53 1.828 6.154 -8.759 397 2HG1 VAL 53 HG12 VAL 53 2.557 5.805 -10.326 398 3HG1 VAL 53 HG13 VAL 53 2.933 7.314 -9.497 399 1HG2 VAL 53 HG21 VAL 53 4.930 5.216 -10.499 400 2HG2 VAL 53 HG22 VAL 53 5.944 5.144 -9.058 401 3HG2 VAL 53 HG23 VAL 53 5.409 6.705 -9.682 402 H LEU 54 HN LEU 54 3.587 5.089 -5.095 403 HA LEU 54 HA LEU 54 6.124 3.669 -4.838 404 1HB LEU 54 HB2 LEU 54 3.665 3.718 -3.078 405 2HB LEU 54 HB1 LEU 54 5.107 2.781 -2.735 406 HG LEU 54 HG LEU 54 4.920 5.791 -2.857 407 1HD1 LEU 54 HD11 LEU 54 5.437 5.679 -0.479 408 2HD1 LEU 54 HD12 LEU 54 5.435 3.917 -0.554 409 3HD1 LEU 54 HD13 LEU 54 3.945 4.813 -0.848 410 1HD2 LEU 54 HD21 LEU 54 7.062 5.029 -3.728 411 2HD2 LEU 54 HD22 LEU 54 7.298 4.019 -2.303 412 3HD2 LEU 54 HD23 LEU 54 7.264 5.774 -2.142 413 H SER 55 HN SER 55 3.026 3.346 -6.106 414 HA SER 55 HA SER 55 2.556 0.578 -5.903 415 1HB SER 55 HB2 SER 55 0.813 2.223 -6.455 416 2HB SER 55 HB1 SER 55 1.609 2.559 -7.990 417 HG SER 55 HG SER 55 1.309 0.024 -8.070 418 H ARG 56 HN ARG 56 4.858 2.277 -7.688 419 HA ARG 56 HA ARG 56 5.086 0.193 -9.733 420 1HB ARG 56 HB2 ARG 56 5.114 2.683 -10.305 421 2HB ARG 56 HB1 ARG 56 6.701 2.734 -9.554 422 1HG ARG 56 HG2 ARG 56 6.894 2.549 -11.959 423 2HG ARG 56 HG1 ARG 56 7.526 1.100 -11.178 424 1HD ARG 56 HD2 ARG 56 4.693 1.217 -12.149 425 2HD ARG 56 HD1 ARG 56 6.008 0.856 -13.264 426 HE ARG 56 HE ARG 56 6.397 -0.898 -11.221 427 1HH1 ARG 56 HH11 ARG 56 3.628 -0.147 -13.256 428 2HH1 ARG 56 HH12 ARG 56 3.028 -1.776 -13.238 429 1HH2 ARG 56 HH21 ARG 56 5.609 -3.021 -11.212 430 2HH2 ARG 56 HH22 ARG 56 4.143 -3.414 -12.069 431 H GLY 57 HN GLY 57 5.675 -0.603 -7.159 432 1HA GLY 57 HA2 GLY 57 8.594 -0.957 -7.283 433 2HA GLY 57 HA1 GLY 57 7.821 -0.491 -5.774 434 H LEU 58 HN LEU 58 9.315 -2.743 -5.821 435 HA LEU 58 HA LEU 58 7.530 -4.996 -6.359 436 1HB LEU 58 HB2 LEU 58 9.559 -6.382 -6.114 437 2HB LEU 58 HB1 LEU 58 9.708 -5.169 -7.368 438 HG LEU 58 HG LEU 58 10.845 -3.809 -5.365 439 1HD1 LEU 58 HD11 LEU 58 11.435 -6.694 -4.723 440 2HD1 LEU 58 HD12 LEU 58 10.537 -5.563 -3.709 441 3HD1 LEU 58 HD13 LEU 58 12.250 -5.292 -4.028 442 1HD2 LEU 58 HD21 LEU 58 11.837 -4.258 -7.540 443 2HD2 LEU 58 HD22 LEU 58 12.221 -5.903 -7.037 444 3HD2 LEU 58 HD23 LEU 58 13.003 -4.534 -6.247 445 H ILE 59 HN ILE 59 7.084 -6.579 -4.809 446 HA ILE 59 HA ILE 59 7.276 -5.612 -2.058 447 HB ILE 59 HB ILE 59 5.686 -7.924 -3.194 448 1HG1 ILE 59 HG12 ILE 59 4.811 -5.170 -2.279 449 2HG1 ILE 59 HG11 ILE 59 4.900 -5.714 -3.951 450 1HG2 ILE 59 HG21 ILE 59 6.278 -8.299 -0.857 451 2HG2 ILE 59 HG22 ILE 59 4.554 -7.965 -1.020 452 3HG2 ILE 59 HG23 ILE 59 5.643 -6.709 -0.433 453 1HD1 ILE 59 HD11 ILE 59 3.090 -6.863 -1.836 454 2HD1 ILE 59 HD12 ILE 59 3.155 -7.345 -3.533 455 3HD1 ILE 59 HD13 ILE 59 2.615 -5.723 -3.098 456 H ALA 60 HN ALA 60 8.849 -6.299 -0.815 457 HA ALA 60 HA ALA 60 10.092 -8.908 -1.389 458 1HB ALA 60 HB1 ALA 60 12.209 -7.985 -0.593 459 2HB ALA 60 HB2 ALA 60 11.434 -6.423 -0.329 460 3HB ALA 60 HB3 ALA 60 11.590 -7.065 -1.964 461 H GLU 61 HN GLU 61 10.164 -10.314 0.222 462 HA GLU 61 HA GLU 61 8.834 -9.719 2.694 463 1HB GLU 61 HB2 GLU 61 8.760 -11.895 1.344 464 2HB GLU 61 HB1 GLU 61 10.349 -12.235 2.011 465 1HG GLU 61 HG2 GLU 61 9.398 -12.125 4.275 466 2HG GLU 61 HG1 GLU 61 7.803 -11.851 3.571 467 H HIS 62 HN HIS 62 9.851 -10.517 4.786 468 HA HIS 62 HA HIS 62 12.753 -10.329 4.902 469 1HB HIS 62 HB2 HIS 62 12.068 -8.025 5.307 470 2HB HIS 62 HB1 HIS 62 10.931 -8.546 6.541 471 HD1 HIS 62 HD1 HIS 62 11.771 -7.899 8.744 472 HD2 HIS 62 HD2 HIS 62 14.856 -9.135 6.231 473 HE1 HIS 62 HE1 HIS 62 13.876 -7.754 10.122 474 HE2 HIS 62 HE2 HIS 62 15.714 -8.597 8.619 475 H GLN 63 HN GLN 63 10.484 -10.066 7.595 476 HA GLN 63 HA GLN 63 10.932 -12.906 8.215 477 1HB GLN 63 HB2 GLN 63 11.090 -10.560 10.113 478 2HB GLN 63 HB1 GLN 63 10.907 -12.222 10.661 479 1HG GLN 63 HG2 GLN 63 13.176 -11.318 8.910 480 2HG GLN 63 HG1 GLN 63 13.247 -11.290 10.671 481 1HE2 GLN 63 HE21 GLN 63 13.346 -13.210 11.802 482 2HE2 GLN 63 HE22 GLN 63 13.736 -14.720 11.036 483 H GLY 64 HN GLY 64 8.884 -13.137 7.126 484 1HA GLY 64 HA2 GLY 64 6.612 -13.580 7.288 485 2HA GLY 64 HA1 GLY 64 6.622 -12.886 8.905 486 H GLU 65 HN GLU 65 8.030 -10.512 7.595 487 HA GLU 65 HA GLU 65 5.605 -8.998 7.114 488 1HB GLU 65 HB2 GLU 65 8.372 -7.858 6.953 489 2HB GLU 65 HB1 GLU 65 6.890 -7.088 7.497 490 1HG GLU 65 HG2 GLU 65 7.025 -8.017 9.604 491 2HG GLU 65 HG1 GLU 65 8.081 -9.328 9.070 492 H LEU 66 HN LEU 66 5.088 -8.034 5.194 493 HA LEU 66 HA LEU 66 6.890 -8.556 2.935 494 1HB LEU 66 HB2 LEU 66 3.889 -8.239 2.993 495 2HB LEU 66 HB1 LEU 66 4.833 -8.296 1.514 496 HG LEU 66 HG LEU 66 4.716 -10.514 3.563 497 1HD1 LEU 66 HD11 LEU 66 2.584 -10.208 2.388 498 2HD1 LEU 66 HD12 LEU 66 3.378 -11.722 1.964 499 3HD1 LEU 66 HD13 LEU 66 3.432 -10.362 0.845 500 1HD2 LEU 66 HD21 LEU 66 6.816 -10.455 2.347 501 2HD2 LEU 66 HD22 LEU 66 5.944 -10.398 0.814 502 3HD2 LEU 66 HD23 LEU 66 5.838 -11.831 1.837 503 H TRP 67 HN TRP 67 8.063 -6.838 2.546 504 HA TRP 67 HA TRP 67 6.998 -4.164 3.096 505 1HB TRP 67 HB2 TRP 67 9.818 -5.045 2.413 506 2HB TRP 67 HB1 TRP 67 9.337 -3.418 2.866 507 HD1 TRP 67 HD1 TRP 67 9.302 -6.963 4.475 508 HE1 TRP 67 HE1 TRP 67 9.851 -6.689 6.981 509 HE3 TRP 67 HE3 TRP 67 9.605 -1.864 4.689 510 HZ2 TRP 67 HZ2 TRP 67 10.349 -4.590 8.795 511 HZ3 TRP 67 HZ3 TRP 67 10.130 -0.804 6.844 512 HH2 TRP 67 HH2 TRP 67 10.490 -2.136 8.856 513 H VAL 68 HN VAL 68 6.933 -2.555 1.488 514 HA VAL 68 HA VAL 68 7.331 -3.517 -1.253 515 HB VAL 68 HB VAL 68 5.171 -2.433 -0.847 516 1HG1 VAL 68 HG11 VAL 68 5.022 -0.038 -0.364 517 2HG1 VAL 68 HG12 VAL 68 6.772 0.021 -0.149 518 3HG1 VAL 68 HG13 VAL 68 5.781 -0.931 0.957 519 1HG2 VAL 68 HG21 VAL 68 6.127 -2.258 -3.063 520 2HG2 VAL 68 HG22 VAL 68 7.009 -0.804 -2.593 521 3HG2 VAL 68 HG23 VAL 68 5.247 -0.781 -2.665 522 H ALA 69 HN ALA 69 9.033 -2.888 -2.421 523 HA ALA 69 HA ALA 69 10.831 -0.905 -1.193 524 1HB ALA 69 HB1 ALA 69 11.761 -3.156 -1.198 525 2HB ALA 69 HB2 ALA 69 12.677 -2.095 -2.270 526 3HB ALA 69 HB3 ALA 69 11.533 -3.257 -2.943 527 H SER 70 HN SER 70 11.105 0.903 -2.253 528 HA SER 70 HA SER 70 10.138 1.259 -4.932 529 1HB SER 70 HB2 SER 70 11.769 3.166 -3.232 530 2HB SER 70 HB1 SER 70 10.796 3.579 -4.644 531 HG SER 70 HG SER 70 9.545 4.041 -2.892 532 HA PRO 71 HA PRO 71 13.984 -0.302 -6.601 533 1HB PRO 71 HB2 PRO 71 13.329 0.024 -9.225 534 2HB PRO 71 HB1 PRO 71 12.748 -1.319 -8.234 535 1HG PRO 71 HG2 PRO 71 11.362 1.229 -8.975 536 2HG PRO 71 HG1 PRO 71 10.719 -0.425 -8.925 537 1HD PRO 71 HD2 PRO 71 10.259 1.359 -6.950 538 2HD PRO 71 HD1 PRO 71 10.431 -0.379 -6.636 539 H LEU 72 HN LEU 72 12.796 2.851 -6.772 540 HA LEU 72 HA LEU 72 14.647 4.055 -8.514 541 1HB LEU 72 HB2 LEU 72 13.201 5.198 -6.121 542 2HB LEU 72 HB1 LEU 72 14.148 6.155 -7.242 543 HG LEU 72 HG LEU 72 12.552 5.226 -9.055 544 1HD1 LEU 72 HD11 LEU 72 10.309 4.694 -8.246 545 2HD1 LEU 72 HD12 LEU 72 10.899 4.732 -6.583 546 3HD1 LEU 72 HD13 LEU 72 11.495 3.506 -7.703 547 1HD2 LEU 72 HD21 LEU 72 10.944 7.021 -8.599 548 2HD2 LEU 72 HD22 LEU 72 12.612 7.549 -8.377 549 3HD2 LEU 72 HD23 LEU 72 11.606 7.187 -6.973 550 H LYS 73 HN LYS 73 14.763 3.253 -5.085 551 HA LYS 73 HA LYS 73 17.651 3.366 -5.238 552 1HB LYS 73 HB2 LYS 73 16.055 5.083 -3.370 553 2HB LYS 73 HB1 LYS 73 17.640 4.500 -2.892 554 1HG LYS 73 HG2 LYS 73 17.209 6.001 -5.459 555 2HG LYS 73 HG1 LYS 73 17.501 6.820 -3.924 556 1HD LYS 73 HD2 LYS 73 19.601 6.631 -5.027 557 2HD LYS 73 HD1 LYS 73 19.604 5.458 -3.712 558 1HE LYS 73 HE2 LYS 73 18.992 3.694 -5.352 559 2HE LYS 73 HE1 LYS 73 19.126 4.892 -6.639 560 1HZ LYS 73 HZ1 LYS 73 21.334 4.095 -4.816 561 2HZ LYS 73 HZ2 LYS 73 21.449 5.180 -6.116 562 3HZ LYS 73 HZ3 LYS 73 21.134 3.543 -6.408 563 H LYS 74 HN LYS 74 15.973 3.298 -2.151 564 HA LYS 74 HA LYS 74 16.333 0.409 -1.953 565 1HB LYS 74 HB2 LYS 74 17.952 2.365 -0.311 566 2HB LYS 74 HB1 LYS 74 17.834 0.646 0.032 567 1HG LYS 74 HG2 LYS 74 18.959 0.087 -1.992 568 2HG LYS 74 HG1 LYS 74 18.888 1.756 -2.558 569 1HD LYS 74 HD2 LYS 74 21.114 1.233 -1.730 570 2HD LYS 74 HD1 LYS 74 20.342 2.434 -0.697 571 1HE LYS 74 HE2 LYS 74 21.503 0.755 0.634 572 2HE LYS 74 HE1 LYS 74 19.762 0.688 0.908 573 1HZ LYS 74 HZ1 LYS 74 21.167 -1.100 -1.000 574 2HZ LYS 74 HZ2 LYS 74 19.583 -1.256 -0.407 575 3HZ LYS 74 HZ3 LYS 74 20.902 -1.506 0.626 576 H GLN 75 HN GLN 75 14.246 2.687 -1.465 577 HA GLN 75 HA GLN 75 13.807 2.642 1.367 578 1HB GLN 75 HB2 GLN 75 11.807 3.473 -0.739 579 2HB GLN 75 HB1 GLN 75 11.827 3.931 0.959 580 1HG GLN 75 HG2 GLN 75 12.765 5.805 0.196 581 2HG GLN 75 HG1 GLN 75 14.244 4.842 0.164 582 1HE2 GLN 75 HE21 GLN 75 11.742 6.335 -1.690 583 2HE2 GLN 75 HE22 GLN 75 12.476 6.100 -3.244 584 H ARG 76 HN ARG 76 12.791 1.172 2.532 585 HA ARG 76 HA ARG 76 10.856 -0.607 1.197 586 1HB ARG 76 HB2 ARG 76 12.572 -1.084 3.635 587 2HB ARG 76 HB1 ARG 76 11.211 -2.108 3.215 588 1HG ARG 76 HG2 ARG 76 12.362 -2.523 1.007 589 2HG ARG 76 HG1 ARG 76 13.780 -1.732 1.709 590 1HD ARG 76 HD2 ARG 76 13.696 -3.348 3.584 591 2HD ARG 76 HD1 ARG 76 12.365 -4.175 2.781 592 HE ARG 76 HE ARG 76 14.985 -3.915 1.461 593 1HH1 ARG 76 HH11 ARG 76 12.369 -5.886 2.704 594 2HH1 ARG 76 HH12 ARG 76 13.057 -7.384 2.171 595 1HH2 ARG 76 HH21 ARG 76 15.916 -5.889 0.770 596 2HH2 ARG 76 HH22 ARG 76 15.075 -7.382 1.056 597 H PHE 77 HN PHE 77 8.801 -0.416 1.770 598 HA PHE 77 HA PHE 77 8.159 0.901 4.336 599 1HB PHE 77 HB2 PHE 77 6.452 0.777 1.834 600 2HB PHE 77 HB1 PHE 77 6.058 1.634 3.320 601 HD1 PHE 77 HD1 PHE 77 6.997 3.772 3.798 602 HD2 PHE 77 HD2 PHE 77 8.199 1.617 0.333 603 HE1 PHE 77 HE1 PHE 77 8.061 5.804 2.908 604 HE2 PHE 77 HE2 PHE 77 9.270 3.644 -0.563 605 HZ PHE 77 HZ PHE 77 9.200 5.740 0.726 606 H ARG 78 HN ARG 78 7.096 -0.351 5.799 607 HA ARG 78 HA ARG 78 6.324 -3.026 4.982 608 1HB ARG 78 HB2 ARG 78 7.514 -2.509 7.169 609 2HB ARG 78 HB1 ARG 78 5.994 -1.819 7.731 610 1HG ARG 78 HG2 ARG 78 4.891 -3.909 7.605 611 2HG ARG 78 HG1 ARG 78 6.228 -4.638 6.717 612 1HD ARG 78 HD2 ARG 78 6.386 -5.428 8.942 613 2HD ARG 78 HD1 ARG 78 7.655 -4.222 8.750 614 HE ARG 78 HE ARG 78 5.405 -2.919 9.774 615 1HH1 ARG 78 HH11 ARG 78 7.721 -5.377 10.754 616 2HH1 ARG 78 HH12 ARG 78 7.516 -5.052 12.452 617 1HH2 ARG 78 HH21 ARG 78 5.134 -2.520 12.001 618 2HH2 ARG 78 HH22 ARG 78 6.078 -3.427 13.153 619 H LEU 79 HN LEU 79 4.401 -3.469 4.227 620 HA LEU 79 HA LEU 79 2.425 -1.525 3.869 621 1HB LEU 79 HB2 LEU 79 2.190 -4.523 3.662 622 2HB LEU 79 HB1 LEU 79 1.058 -3.369 2.986 623 HG LEU 79 HG LEU 79 3.951 -3.654 2.175 624 1HD1 LEU 79 HD11 LEU 79 3.055 -4.553 0.089 625 2HD1 LEU 79 HD12 LEU 79 1.423 -4.476 0.755 626 3HD1 LEU 79 HD13 LEU 79 2.617 -5.559 1.467 627 1HD2 LEU 79 HD21 LEU 79 1.747 -1.965 1.002 628 2HD2 LEU 79 HD22 LEU 79 3.390 -2.120 0.377 629 3HD2 LEU 79 HD23 LEU 79 3.111 -1.370 1.949 630 H SER 80 HN SER 80 2.942 -3.695 6.486 631 HA SER 80 HA SER 80 0.356 -4.003 7.483 632 1HB SER 80 HB2 SER 80 2.851 -3.781 9.173 633 2HB SER 80 HB1 SER 80 1.402 -4.735 9.496 634 HG SER 80 HG SER 80 2.922 -6.139 8.697 635 H ASP 81 HN ASP 81 2.850 -1.649 8.502 636 HA ASP 81 HA ASP 81 0.765 -0.135 9.918 637 1HB ASP 81 HB2 ASP 81 3.496 0.830 10.260 638 2HB ASP 81 HB1 ASP 81 2.314 0.364 11.475 639 H GLY 82 HN GLY 82 2.946 0.041 7.234 640 1HA GLY 82 HA2 GLY 82 3.080 1.756 5.627 641 2HA GLY 82 HA1 GLY 82 2.191 2.821 6.717 642 H LEU 83 HN LEU 83 4.717 0.936 7.999 643 HA LEU 83 HA LEU 83 6.195 3.297 8.765 644 1HB LEU 83 HB2 LEU 83 5.760 1.446 10.347 645 2HB LEU 83 HB1 LEU 83 6.702 0.372 9.330 646 HG LEU 83 HG LEU 83 8.576 2.201 9.740 647 1HD1 LEU 83 HD11 LEU 83 6.835 2.447 12.187 648 2HD1 LEU 83 HD12 LEU 83 7.169 3.714 11.008 649 3HD1 LEU 83 HD13 LEU 83 8.471 3.081 12.016 650 1HD2 LEU 83 HD21 LEU 83 9.380 0.840 11.624 651 2HD2 LEU 83 HD22 LEU 83 8.800 -0.142 10.279 652 3HD2 LEU 83 HD23 LEU 83 7.801 0.060 11.719 653 H CYS 84 HN CYS 84 8.179 3.886 8.035 654 HA CYS 84 HA CYS 84 9.298 2.501 5.744 655 1HB CYS 84 HB2 CYS 84 10.388 4.886 7.253 656 2HB CYS 84 HB1 CYS 84 10.865 4.343 5.647 657 HG CYS 84 HG CYS 84 8.433 4.985 4.446 658 H MET 85 HN MET 85 11.297 1.461 5.723 659 HA MET 85 HA MET 85 11.930 -0.080 7.947 660 1HB MET 85 HB2 MET 85 12.515 -0.608 5.579 661 2HB MET 85 HB1 MET 85 13.791 0.601 5.669 662 1HG MET 85 HG2 MET 85 14.882 -0.664 7.434 663 2HG MET 85 HG1 MET 85 13.595 -1.868 7.376 664 1HE MET 85 HE1 MET 85 16.559 -3.849 5.830 665 2HE MET 85 HE2 MET 85 15.282 -3.832 7.047 666 3HE MET 85 HE3 MET 85 16.624 -2.694 7.160 667 H GLU 86 HN GLU 86 14.232 2.285 6.564 668 HA GLU 86 HA GLU 86 15.341 2.625 9.245 669 1HB GLU 86 HB2 GLU 86 17.173 3.865 8.085 670 2HB GLU 86 HB1 GLU 86 16.996 2.192 7.580 671 1HG GLU 86 HG2 GLU 86 15.842 2.913 5.564 672 2HG GLU 86 HG1 GLU 86 15.989 4.596 6.075 673 H ASP 87 HN ASP 87 13.446 4.264 6.926 674 HA ASP 87 HA ASP 87 13.811 6.906 8.037 675 1HB ASP 87 HB2 ASP 87 11.885 5.934 5.915 676 2HB ASP 87 HB1 ASP 87 12.209 7.618 6.321 677 H GLU 88 HN GLU 88 12.440 4.466 9.360 678 HA GLU 88 HA GLU 88 9.811 4.504 9.763 679 1HB GLU 88 HB2 GLU 88 10.262 3.799 12.126 680 2HB GLU 88 HB1 GLU 88 11.169 2.928 10.897 681 1HG GLU 88 HG2 GLU 88 13.121 4.352 11.357 682 2HG GLU 88 HG1 GLU 88 12.204 5.162 12.627 683 H GLN 89 HN GLN 89 11.940 6.991 11.139 684 HA GLN 89 HA GLN 89 10.069 8.018 12.990 685 1HB GLN 89 HB2 GLN 89 12.495 9.199 11.671 686 2HB GLN 89 HB1 GLN 89 11.503 10.138 12.778 687 1HG GLN 89 HG2 GLN 89 12.932 7.567 13.412 688 2HG GLN 89 HG1 GLN 89 13.399 9.186 13.935 689 1HE2 GLN 89 HE21 GLN 89 12.123 10.262 15.452 690 2HE2 GLN 89 HE22 GLN 89 11.039 9.407 16.498 691 H PHE 90 HN PHE 90 10.323 8.361 9.577 692 HA PHE 90 HA PHE 90 8.496 10.642 9.558 693 1HB PHE 90 HB2 PHE 90 9.623 9.162 7.173 694 2HB PHE 90 HB1 PHE 90 8.880 10.759 7.186 695 HD1 PHE 90 HD1 PHE 90 11.885 9.102 6.958 696 HD2 PHE 90 HD2 PHE 90 10.100 12.414 8.940 697 HE1 PHE 90 HE1 PHE 90 14.107 10.108 7.263 698 HE2 PHE 90 HE2 PHE 90 12.319 13.430 9.249 699 HZ PHE 90 HZ PHE 90 14.325 12.276 8.411 700 H SER 91 HN SER 91 8.625 7.662 7.649 701 HA SER 91 HA SER 91 7.084 6.164 6.990 702 1HB SER 91 HB2 SER 91 5.736 6.964 9.574 703 2HB SER 91 HB1 SER 91 5.268 5.579 8.586 704 HG SER 91 HG SER 91 7.523 5.957 10.188 705 H VAL 92 HN VAL 92 4.589 5.874 6.620 706 HA VAL 92 HA VAL 92 3.544 8.435 5.604 707 HB VAL 92 HB VAL 92 2.544 7.216 3.718 708 1HG1 VAL 92 HG11 VAL 92 4.708 8.272 3.408 709 2HG1 VAL 92 HG12 VAL 92 4.602 6.789 2.460 710 3HG1 VAL 92 HG13 VAL 92 5.521 6.808 3.965 711 1HG2 VAL 92 HG21 VAL 92 2.324 5.015 4.738 712 2HG2 VAL 92 HG22 VAL 92 4.078 4.834 4.755 713 3HG2 VAL 92 HG23 VAL 92 3.215 4.915 3.219 714 H LYS 93 HN LYS 93 1.081 8.153 5.093 715 HA LYS 93 HA LYS 93 -0.119 7.189 7.550 716 1HB LYS 93 HB2 LYS 93 -0.781 9.392 6.676 717 2HB LYS 93 HB1 LYS 93 -1.375 8.633 5.205 718 1HG LYS 93 HG2 LYS 93 -3.164 7.611 6.317 719 2HG LYS 93 HG1 LYS 93 -2.448 7.886 7.902 720 1HD LYS 93 HD2 LYS 93 -4.267 9.414 7.645 721 2HD LYS 93 HD1 LYS 93 -2.772 10.339 7.540 722 1HE LYS 93 HE2 LYS 93 -4.216 9.353 5.095 723 2HE LYS 93 HE1 LYS 93 -4.635 10.878 5.870 724 1HZ LYS 93 HZ1 LYS 93 -2.312 11.584 5.552 725 2HZ LYS 93 HZ2 LYS 93 -3.110 11.280 4.083 726 3HZ LYS 93 HZ3 LYS 93 -2.011 10.154 4.698 727 H HIS 94 HN HIS 94 -1.326 5.410 7.770 728 HA HIS 94 HA HIS 94 -1.366 3.563 5.517 729 1HB HIS 94 HB2 HIS 94 -0.624 2.880 7.835 730 2HB HIS 94 HB1 HIS 94 -2.293 3.078 8.356 731 HD1 HIS 94 HD1 HIS 94 -3.909 1.164 7.876 732 HD2 HIS 94 HD2 HIS 94 -0.194 0.704 6.045 733 HE1 HIS 94 HE1 HIS 94 -3.873 -1.185 6.975 734 HE2 HIS 94 HE2 HIS 94 -1.537 -1.500 6.087 735 H TYR 95 HN TYR 95 -3.202 2.742 4.590 736 HA TYR 95 HA TYR 95 -5.753 3.880 5.511 737 1HB TYR 95 HB2 TYR 95 -5.007 3.124 2.675 738 2HB TYR 95 HB1 TYR 95 -6.534 3.835 3.197 739 HD1 TYR 95 HD1 TYR 95 -3.241 4.504 2.016 740 HD2 TYR 95 HD2 TYR 95 -6.413 6.153 4.319 741 HE1 TYR 95 HE1 TYR 95 -2.276 6.747 1.733 742 HE2 TYR 95 HE2 TYR 95 -5.458 8.400 4.034 743 HH TYR 95 HH TYR 95 -3.178 9.167 1.786 744 H GLU 96 HN GLU 96 -7.270 2.482 6.063 745 HA GLU 96 HA GLU 96 -6.505 -0.268 6.304 746 1HB GLU 96 HB2 GLU 96 -8.844 1.372 7.176 747 2HB GLU 96 HB1 GLU 96 -8.997 -0.378 7.171 748 1HG GLU 96 HG2 GLU 96 -8.354 0.441 9.361 749 2HG GLU 96 HG1 GLU 96 -7.090 -0.568 8.665 750 H ALA 97 HN ALA 97 -6.928 -1.893 4.978 751 HA ALA 97 HA ALA 97 -9.016 -1.513 2.929 752 1HB ALA 97 HB1 ALA 97 -7.596 -2.684 1.326 753 2HB ALA 97 HB2 ALA 97 -6.327 -2.826 2.542 754 3HB ALA 97 HB3 ALA 97 -6.795 -1.237 1.939 755 H ARG 98 HN ARG 98 -10.341 -3.207 2.527 756 HA ARG 98 HA ARG 98 -9.624 -5.878 3.396 757 1HB ARG 98 HB2 ARG 98 -11.323 -6.250 4.937 758 2HB ARG 98 HB1 ARG 98 -10.790 -4.629 5.351 759 1HG ARG 98 HG2 ARG 98 -12.686 -3.686 4.139 760 2HG ARG 98 HG1 ARG 98 -13.208 -5.311 3.684 761 1HD ARG 98 HD2 ARG 98 -13.306 -5.830 6.154 762 2HD ARG 98 HD1 ARG 98 -13.098 -4.104 6.436 763 HE ARG 98 HE ARG 98 -15.335 -5.060 4.778 764 1HH1 ARG 98 HH11 ARG 98 -14.148 -3.510 7.692 765 2HH1 ARG 98 HH12 ARG 98 -15.710 -2.925 8.174 766 1HH2 ARG 98 HH21 ARG 98 -17.415 -4.302 5.428 767 2HH2 ARG 98 HH22 ARG 98 -17.568 -3.369 6.890 768 H VAL 99 HN VAL 99 -11.329 -7.480 2.702 769 HA VAL 99 HA VAL 99 -12.367 -6.632 0.100 770 HB VAL 99 HB VAL 99 -12.010 -9.406 1.247 771 1HG1 VAL 99 HG11 VAL 99 -12.466 -10.207 -1.014 772 2HG1 VAL 99 HG12 VAL 99 -12.787 -8.554 -1.540 773 3HG1 VAL 99 HG13 VAL 99 -13.847 -9.325 -0.358 774 1HG2 VAL 99 HG21 VAL 99 -9.883 -8.317 0.810 775 2HG2 VAL 99 HG22 VAL 99 -10.412 -7.890 -0.818 776 3HG2 VAL 99 HG23 VAL 99 -10.173 -9.583 -0.383 777 H LYS 100 HN LYS 100 -14.400 -6.054 -0.037 778 HA LYS 100 HA LYS 100 -16.406 -7.282 1.753 779 1HB LYS 100 HB2 LYS 100 -15.992 -4.822 2.046 780 2HB LYS 100 HB1 LYS 100 -16.543 -4.587 0.397 781 1HG LYS 100 HG2 LYS 100 -18.670 -5.833 1.206 782 2HG LYS 100 HG1 LYS 100 -18.104 -5.374 2.812 783 1HD LYS 100 HD2 LYS 100 -19.423 -3.572 2.317 784 2HD LYS 100 HD1 LYS 100 -17.878 -3.002 1.684 785 1HE LYS 100 HE2 LYS 100 -19.973 -4.392 0.019 786 2HE LYS 100 HE1 LYS 100 -19.851 -2.644 0.173 787 1HZ LYS 100 HZ1 LYS 100 -17.664 -4.374 -0.860 788 2HZ LYS 100 HZ2 LYS 100 -17.713 -2.678 -0.859 789 3HZ LYS 100 HZ3 LYS 100 -18.774 -3.556 -1.837 790 H ASP 101 HN ASP 101 -17.539 -8.758 0.594 791 HA ASP 101 HA ASP 101 -18.777 -9.709 -1.071 792 1HB ASP 101 HB2 ASP 101 -20.099 -7.602 -0.730 793 2HB ASP 101 HB1 ASP 101 -19.171 -6.859 -2.026 794 H GLY 102 HN GLY 102 -15.926 -9.228 -1.378 795 1HA GLY 102 HA2 GLY 102 -14.461 -9.972 -3.037 796 2HA GLY 102 HA1 GLY 102 -15.727 -9.733 -4.233 797 H VAL 103 HN VAL 103 -15.778 -6.975 -2.481 798 HA VAL 103 HA VAL 103 -14.140 -5.642 -4.525 799 HB VAL 103 HB VAL 103 -16.226 -4.417 -2.708 800 1HG1 VAL 103 HG11 VAL 103 -14.579 -2.817 -3.521 801 2HG1 VAL 103 HG12 VAL 103 -16.143 -2.540 -4.285 802 3HG1 VAL 103 HG13 VAL 103 -14.857 -3.351 -5.179 803 1HG2 VAL 103 HG21 VAL 103 -16.464 -5.327 -5.574 804 2HG2 VAL 103 HG22 VAL 103 -17.682 -4.406 -4.691 805 3HG2 VAL 103 HG23 VAL 103 -17.268 -6.043 -4.178 806 H VAL 104 HN VAL 104 -12.417 -4.453 -4.005 807 HA VAL 104 HA VAL 104 -11.343 -4.589 -1.346 808 HB VAL 104 HB VAL 104 -10.377 -2.893 -3.663 809 1HG1 VAL 104 HG11 VAL 104 -9.450 -2.200 -1.525 810 2HG1 VAL 104 HG12 VAL 104 -8.210 -2.983 -2.506 811 3HG1 VAL 104 HG13 VAL 104 -8.966 -3.860 -1.175 812 1HG2 VAL 104 HG21 VAL 104 -9.582 -5.698 -2.870 813 2HG2 VAL 104 HG22 VAL 104 -8.815 -4.730 -4.128 814 3HG2 VAL 104 HG23 VAL 104 -10.492 -5.246 -4.311 815 H GLN 105 HN GLN 105 -11.877 -3.312 0.274 816 HA GLN 105 HA GLN 105 -13.108 -0.703 -0.286 817 1HB GLN 105 HB2 GLN 105 -12.970 -2.201 2.333 818 2HB GLN 105 HB1 GLN 105 -13.917 -0.765 1.993 819 1HG GLN 105 HG2 GLN 105 -14.333 -3.514 0.876 820 2HG GLN 105 HG1 GLN 105 -15.343 -2.673 2.047 821 1HE2 GLN 105 HE21 GLN 105 -16.602 -0.910 1.342 822 2HE2 GLN 105 HE22 GLN 105 -17.037 -0.736 -0.328 823 H LEU 106 HN LEU 106 -12.272 1.182 0.506 824 HA LEU 106 HA LEU 106 -9.743 0.997 2.011 825 1HB LEU 106 HB2 LEU 106 -10.528 2.948 -0.142 826 2HB LEU 106 HB1 LEU 106 -9.174 3.210 0.936 827 HG LEU 106 HG LEU 106 -9.470 1.028 -1.120 828 1HD1 LEU 106 HD11 LEU 106 -7.472 2.082 -2.070 829 2HD1 LEU 106 HD12 LEU 106 -7.528 3.316 -0.814 830 3HD1 LEU 106 HD13 LEU 106 -8.830 3.204 -2.001 831 1HD2 LEU 106 HD21 LEU 106 -8.431 0.113 0.887 832 2HD2 LEU 106 HD22 LEU 106 -7.276 1.444 0.906 833 3HD2 LEU 106 HD23 LEU 106 -7.252 0.278 -0.415 834 H ARG 107 HN ARG 107 -9.846 1.844 3.959 835 HA ARG 107 HA ARG 107 -11.634 4.144 4.429 836 1HB ARG 107 HB2 ARG 107 -12.158 2.123 5.810 837 2HB ARG 107 HB1 ARG 107 -10.535 2.210 6.484 838 1HG ARG 107 HG2 ARG 107 -11.154 4.581 7.185 839 2HG ARG 107 HG1 ARG 107 -12.818 4.101 6.855 840 1HD ARG 107 HD2 ARG 107 -12.508 3.707 9.154 841 2HD ARG 107 HD1 ARG 107 -12.381 2.119 8.395 842 HE ARG 107 HE ARG 107 -9.862 2.628 8.486 843 1HH1 ARG 107 HH11 ARG 107 -12.204 3.591 10.911 844 2HH1 ARG 107 HH12 ARG 107 -11.031 3.696 12.183 845 1HH2 ARG 107 HH21 ARG 107 -8.302 2.788 10.156 846 2HH2 ARG 107 HH22 ARG 107 -8.819 3.215 11.769 847 H GLY 108 HN GLY 108 -10.596 6.033 4.757 848 1HA GLY 108 HA2 GLY 108 -7.749 5.866 5.508 849 2HA GLY 108 HA1 GLY 108 -8.393 7.083 4.423 850 H GLY 109 HN GLY 109 -6.885 7.852 6.532 851 1HA GLY 109 HA2 GLY 109 -6.968 9.528 8.131 852 2HA GLY 109 HA1 GLY 109 -8.724 9.472 8.051 853 H SER 110 HN SER 110 -9.570 8.952 9.946 854 HA SER 110 HA SER 110 -8.731 6.501 11.231 855 1HB SER 110 HB2 SER 110 -8.801 9.121 12.758 856 2HB SER 110 HB1 SER 110 -8.547 7.525 13.465 857 HG SER 110 HG SER 110 -6.840 7.961 11.412 Start of MODEL 13 1 HA MET 1 HA MET 1 -14.650 11.450 7.345 2 1HB MET 1 HB2 MET 1 -11.782 11.939 6.508 3 2HB MET 1 HB1 MET 1 -13.136 11.811 5.396 4 1HG MET 1 HG2 MET 1 -12.674 14.114 5.702 5 2HG MET 1 HG1 MET 1 -14.176 13.759 6.555 6 1HE MET 1 HE1 MET 1 -12.714 16.494 8.873 7 2HE MET 1 HE2 MET 1 -14.128 15.917 7.993 8 3HE MET 1 HE3 MET 1 -12.695 16.438 7.111 9 H SER 2 HN SER 2 -15.176 9.332 7.860 10 HA SER 2 HA SER 2 -13.212 7.255 7.227 11 1HB SER 2 HB2 SER 2 -15.244 5.895 8.346 12 2HB SER 2 HB1 SER 2 -13.977 6.673 9.294 13 HG SER 2 HG SER 2 -16.621 7.188 9.246 14 H GLN 3 HN GLN 3 -14.345 8.589 5.075 15 HA GLN 3 HA GLN 3 -16.562 7.241 3.961 16 1HB GLN 3 HB2 GLN 3 -14.346 8.863 2.706 17 2HB GLN 3 HB1 GLN 3 -15.697 8.212 1.788 18 1HG GLN 3 HG2 GLN 3 -17.257 9.508 3.109 19 2HG GLN 3 HG1 GLN 3 -15.938 10.115 4.107 20 1HE2 GLN 3 HE21 GLN 3 -14.106 10.469 1.883 21 2HE2 GLN 3 HE22 GLN 3 -14.666 11.855 1.013 22 H TRP 4 HN TRP 4 -16.325 5.034 4.037 23 HA TRP 4 HA TRP 4 -14.094 3.647 2.948 24 1HB TRP 4 HB2 TRP 4 -16.927 2.814 3.574 25 2HB TRP 4 HB1 TRP 4 -15.782 1.710 2.823 26 HD1 TRP 4 HD1 TRP 4 -16.639 3.324 6.156 27 HE1 TRP 4 HE1 TRP 4 -15.232 2.212 8.007 28 HE3 TRP 4 HE3 TRP 4 -13.479 0.574 3.225 29 HZ2 TRP 4 HZ2 TRP 4 -13.065 0.409 8.189 30 HZ3 TRP 4 HZ3 TRP 4 -11.767 -0.815 4.314 31 HH2 TRP 4 HH2 TRP 4 -11.565 -0.895 6.746 32 H LYS 5 HN LYS 5 -13.566 4.204 0.915 33 HA LYS 5 HA LYS 5 -15.677 4.465 -1.075 34 1HB LYS 5 HB2 LYS 5 -13.967 6.208 -0.994 35 2HB LYS 5 HB1 LYS 5 -12.708 5.009 -1.255 36 1HG LYS 5 HG2 LYS 5 -13.541 4.548 -3.470 37 2HG LYS 5 HG1 LYS 5 -14.907 5.632 -3.212 38 1HD LYS 5 HD2 LYS 5 -13.364 7.520 -2.986 39 2HD LYS 5 HD1 LYS 5 -11.999 6.429 -3.255 40 1HE LYS 5 HE2 LYS 5 -12.773 5.928 -5.478 41 2HE LYS 5 HE1 LYS 5 -14.250 6.853 -5.216 42 1HZ LYS 5 HZ1 LYS 5 -12.957 8.862 -5.058 43 2HZ LYS 5 HZ2 LYS 5 -12.597 8.072 -6.514 44 3HZ LYS 5 HZ3 LYS 5 -11.508 7.997 -5.222 45 H ASP 6 HN ASP 6 -16.314 2.680 -2.085 46 HA ASP 6 HA ASP 6 -14.873 0.328 -2.509 47 1HB ASP 6 HB2 ASP 6 -16.980 1.550 -4.313 48 2HB ASP 6 HB1 ASP 6 -16.469 -0.133 -4.322 49 H ILE 7 HN ILE 7 -12.899 0.279 -3.401 50 HA ILE 7 HA ILE 7 -12.088 2.227 -5.374 51 HB ILE 7 HB ILE 7 -10.565 -0.192 -4.386 52 1HG1 ILE 7 HG12 ILE 7 -11.151 1.247 -2.507 53 2HG1 ILE 7 HG11 ILE 7 -9.429 1.375 -2.855 54 1HG2 ILE 7 HG21 ILE 7 -9.623 2.323 -5.758 55 2HG2 ILE 7 HG22 ILE 7 -9.696 0.710 -6.468 56 3HG2 ILE 7 HG23 ILE 7 -8.584 1.038 -5.139 57 1HD1 ILE 7 HD11 ILE 7 -9.835 3.477 -4.028 58 2HD1 ILE 7 HD12 ILE 7 -10.379 3.541 -2.353 59 3HD1 ILE 7 HD13 ILE 7 -11.552 3.347 -3.655 60 H CYS 8 HN CYS 8 -11.775 -1.287 -5.349 61 HA CYS 8 HA CYS 8 -13.011 -1.610 -7.919 62 1HB CYS 8 HB2 CYS 8 -10.639 -0.801 -8.416 63 2HB CYS 8 HB1 CYS 8 -10.069 -2.294 -7.678 64 HG CYS 8 HG CYS 8 -10.663 -1.838 -10.756 65 H LYS 9 HN LYS 9 -12.785 -4.032 -8.551 66 HA LYS 9 HA LYS 9 -13.316 -5.521 -6.129 67 1HB LYS 9 HB2 LYS 9 -13.447 -6.359 -9.031 68 2HB LYS 9 HB1 LYS 9 -13.950 -7.357 -7.672 69 1HG LYS 9 HG2 LYS 9 -15.608 -5.607 -7.079 70 2HG LYS 9 HG1 LYS 9 -15.168 -4.748 -8.553 71 1HD LYS 9 HD2 LYS 9 -15.817 -6.725 -9.867 72 2HD LYS 9 HD1 LYS 9 -16.310 -7.534 -8.378 73 1HE LYS 9 HE2 LYS 9 -17.932 -5.703 -7.975 74 2HE LYS 9 HE1 LYS 9 -17.485 -5.009 -9.534 75 1HZ LYS 9 HZ1 LYS 9 -18.206 -7.115 -10.574 76 2HZ LYS 9 HZ2 LYS 9 -19.466 -6.302 -9.787 77 3HZ LYS 9 HZ3 LYS 9 -18.751 -7.656 -9.062 78 H ILE 10 HN ILE 10 -12.293 -7.465 -5.549 79 HA ILE 10 HA ILE 10 -9.465 -7.364 -5.666 80 HB ILE 10 HB ILE 10 -10.855 -8.311 -3.790 81 1HG1 ILE 10 HG12 ILE 10 -9.265 -10.160 -3.271 82 2HG1 ILE 10 HG11 ILE 10 -8.658 -10.057 -4.920 83 1HG2 ILE 10 HG21 ILE 10 -11.547 -10.655 -3.930 84 2HG2 ILE 10 HG22 ILE 10 -11.081 -10.686 -5.631 85 3HG2 ILE 10 HG23 ILE 10 -12.402 -9.646 -5.096 86 1HD1 ILE 10 HD11 ILE 10 -7.197 -8.910 -3.359 87 2HD1 ILE 10 HD12 ILE 10 -8.530 -7.867 -2.860 88 3HD1 ILE 10 HD13 ILE 10 -7.908 -7.779 -4.510 89 H ASP 11 HN ASP 11 -11.695 -8.456 -7.864 90 HA ASP 11 HA ASP 11 -10.335 -10.684 -8.997 91 1HB ASP 11 HB2 ASP 11 -12.765 -10.213 -9.266 92 2HB ASP 11 HB1 ASP 11 -12.359 -8.818 -10.255 93 H ASP 12 HN ASP 12 -9.971 -7.258 -9.200 94 HA ASP 12 HA ASP 12 -8.438 -7.383 -11.670 95 1HB ASP 12 HB2 ASP 12 -9.922 -5.470 -11.369 96 2HB ASP 12 HB1 ASP 12 -9.106 -5.048 -9.867 97 H ILE 13 HN ILE 13 -7.950 -6.863 -8.238 98 HA ILE 13 HA ILE 13 -5.131 -6.300 -8.547 99 HB ILE 13 HB ILE 13 -6.614 -6.900 -5.982 100 1HG1 ILE 13 HG12 ILE 13 -6.107 -4.217 -7.297 101 2HG1 ILE 13 HG11 ILE 13 -7.672 -5.020 -7.199 102 1HG2 ILE 13 HG21 ILE 13 -4.187 -7.050 -5.818 103 2HG2 ILE 13 HG22 ILE 13 -4.782 -5.637 -4.946 104 3HG2 ILE 13 HG23 ILE 13 -4.027 -5.441 -6.528 105 1HD1 ILE 13 HD11 ILE 13 -6.034 -4.037 -4.873 106 2HD1 ILE 13 HD12 ILE 13 -7.594 -4.853 -4.762 107 3HD1 ILE 13 HD13 ILE 13 -7.480 -3.271 -5.533 108 H LEU 14 HN LEU 14 -4.066 -7.994 -9.351 109 HA LEU 14 HA LEU 14 -4.554 -10.701 -8.572 110 1HB LEU 14 HB2 LEU 14 -2.264 -9.470 -10.116 111 2HB LEU 14 HB1 LEU 14 -2.585 -11.188 -9.986 112 HG LEU 14 HG LEU 14 -4.397 -9.165 -11.308 113 1HD1 LEU 14 HD11 LEU 14 -2.344 -9.555 -12.568 114 2HD1 LEU 14 HD12 LEU 14 -3.741 -10.249 -13.389 115 3HD1 LEU 14 HD13 LEU 14 -2.629 -11.295 -12.503 116 1HD2 LEU 14 HD21 LEU 14 -5.635 -11.016 -10.307 117 2HD2 LEU 14 HD22 LEU 14 -4.595 -12.172 -11.138 118 3HD2 LEU 14 HD23 LEU 14 -5.659 -11.116 -12.068 119 HA PRO 15 HA PRO 15 -1.763 -11.343 -5.170 120 1HB PRO 15 HB2 PRO 15 -0.268 -13.317 -6.826 121 2HB PRO 15 HB1 PRO 15 -0.996 -13.508 -5.227 122 1HG PRO 15 HG2 PRO 15 -2.151 -14.576 -7.365 123 2HG PRO 15 HG1 PRO 15 -3.125 -13.823 -6.088 124 1HD PRO 15 HD2 PRO 15 -2.378 -12.756 -8.782 125 2HD PRO 15 HD1 PRO 15 -3.912 -12.613 -7.899 126 H GLU 16 HN GLU 16 0.102 -10.512 -4.422 127 HA GLU 16 HA GLU 16 1.985 -9.277 -4.310 128 1HB GLU 16 HB2 GLU 16 2.686 -10.769 -6.842 129 2HB GLU 16 HB1 GLU 16 3.807 -9.757 -5.946 130 1HG GLU 16 HG2 GLU 16 4.338 -11.869 -5.206 131 2HG GLU 16 HG1 GLU 16 3.243 -11.293 -3.952 132 H THR 17 HN THR 17 -0.343 -8.198 -5.716 133 HA THR 17 HA THR 17 1.034 -6.263 -7.465 134 HB THR 17 HB THR 17 -1.886 -7.023 -7.642 135 HG1 THR 17 HG1 THR 17 -0.788 -8.789 -8.362 136 1HG2 THR 17 HG21 THR 17 -1.791 -5.860 -9.796 137 2HG2 THR 17 HG22 THR 17 -0.098 -5.458 -9.507 138 3HG2 THR 17 HG23 THR 17 -1.354 -4.782 -8.471 139 H GLY 18 HN GLY 18 1.086 -4.257 -6.728 140 1HA GLY 18 HA2 GLY 18 -0.989 -3.387 -4.820 141 2HA GLY 18 HA1 GLY 18 0.577 -2.617 -5.045 142 H VAL 19 HN VAL 19 -2.410 -1.815 -5.346 143 HA VAL 19 HA VAL 19 -2.171 -0.676 -8.055 144 HB VAL 19 HB VAL 19 -4.620 -0.505 -8.092 145 1HG1 VAL 19 HG11 VAL 19 -3.552 -2.482 -9.043 146 2HG1 VAL 19 HG12 VAL 19 -5.115 -2.889 -8.338 147 3HG1 VAL 19 HG13 VAL 19 -3.629 -3.289 -7.477 148 1HG2 VAL 19 HG21 VAL 19 -4.502 -1.953 -5.446 149 2HG2 VAL 19 HG22 VAL 19 -5.967 -1.642 -6.379 150 3HG2 VAL 19 HG23 VAL 19 -5.046 -0.295 -5.709 151 H CYS 20 HN CYS 20 -3.585 1.385 -8.264 152 HA CYS 20 HA CYS 20 -2.856 3.123 -6.008 153 1HB CYS 20 HB2 CYS 20 -2.952 4.976 -7.721 154 2HB CYS 20 HB1 CYS 20 -1.654 3.810 -7.941 155 HG CYS 20 HG CYS 20 -3.917 2.525 -9.727 156 H ALA 21 HN ALA 21 -4.495 3.586 -4.766 157 HA ALA 21 HA ALA 21 -7.185 3.844 -5.915 158 1HB ALA 21 HB1 ALA 21 -6.336 3.535 -3.036 159 2HB ALA 21 HB2 ALA 21 -6.925 2.242 -4.079 160 3HB ALA 21 HB3 ALA 21 -7.994 3.571 -3.633 161 H LEU 22 HN LEU 22 -7.843 5.837 -6.333 162 HA LEU 22 HA LEU 22 -6.548 8.095 -5.066 163 1HB LEU 22 HB2 LEU 22 -8.746 7.971 -7.130 164 2HB LEU 22 HB1 LEU 22 -7.990 9.448 -6.566 165 HG LEU 22 HG LEU 22 -6.615 7.219 -8.073 166 1HD1 LEU 22 HD11 LEU 22 -8.120 8.500 -9.476 167 2HD1 LEU 22 HD12 LEU 22 -6.445 8.886 -9.867 168 3HD1 LEU 22 HD13 LEU 22 -7.407 10.008 -8.904 169 1HD2 LEU 22 HD21 LEU 22 -4.689 8.734 -8.143 170 2HD2 LEU 22 HD22 LEU 22 -5.102 8.289 -6.487 171 3HD2 LEU 22 HD23 LEU 22 -5.550 9.876 -7.111 172 H LEU 23 HN LEU 23 -7.155 8.516 -3.058 173 HA LEU 23 HA LEU 23 -10.031 8.629 -2.432 174 1HB LEU 23 HB2 LEU 23 -8.637 7.195 -0.960 175 2HB LEU 23 HB1 LEU 23 -7.647 8.584 -0.563 176 HG LEU 23 HG LEU 23 -9.681 9.666 0.423 177 1HD1 LEU 23 HD11 LEU 23 -10.865 6.925 0.033 178 2HD1 LEU 23 HD12 LEU 23 -11.369 8.403 -0.788 179 3HD1 LEU 23 HD13 LEU 23 -11.589 8.244 0.955 180 1HD2 LEU 23 HD21 LEU 23 -8.009 8.532 1.809 181 2HD2 LEU 23 HD22 LEU 23 -8.883 7.011 1.613 182 3HD2 LEU 23 HD23 LEU 23 -9.633 8.357 2.474 183 H GLY 24 HN GLY 24 -10.715 10.633 -2.965 184 1HA GLY 24 HA2 GLY 24 -10.839 12.943 -2.966 185 2HA GLY 24 HA1 GLY 24 -9.567 12.959 -1.746 186 H ASP 25 HN ASP 25 -7.574 13.550 -2.332 187 HA ASP 25 HA ASP 25 -6.824 13.241 -5.167 188 1HB ASP 25 HB2 ASP 25 -5.649 15.310 -5.196 189 2HB ASP 25 HB1 ASP 25 -7.236 15.662 -4.525 190 H GLU 26 HN GLU 26 -6.395 12.199 -2.152 191 HA GLU 26 HA GLU 26 -3.493 12.034 -2.175 192 1HB GLU 26 HB2 GLU 26 -5.562 11.080 -0.191 193 2HB GLU 26 HB1 GLU 26 -3.830 10.851 0.012 194 1HG GLU 26 HG2 GLU 26 -3.471 13.222 0.096 195 2HG GLU 26 HG1 GLU 26 -5.160 13.530 -0.296 196 H GLN 27 HN GLN 27 -2.426 10.418 -3.043 197 HA GLN 27 HA GLN 27 -3.889 8.223 -4.207 198 1HB GLN 27 HB2 GLN 27 -0.909 8.715 -4.190 199 2HB GLN 27 HB1 GLN 27 -1.780 7.600 -5.232 200 1HG GLN 27 HG2 GLN 27 -3.010 9.598 -6.143 201 2HG GLN 27 HG1 GLN 27 -1.851 10.600 -5.268 202 1HE2 GLN 27 HE21 GLN 27 -0.948 11.489 -7.101 203 2HE2 GLN 27 HE22 GLN 27 0.016 10.571 -8.210 204 H VAL 28 HN VAL 28 -4.345 6.448 -3.180 205 HA VAL 28 HA VAL 28 -2.699 5.571 -0.918 206 HB VAL 28 HB VAL 28 -5.372 4.513 -1.858 207 1HG1 VAL 28 HG11 VAL 28 -4.107 2.896 -0.564 208 2HG1 VAL 28 HG12 VAL 28 -5.486 3.488 0.364 209 3HG1 VAL 28 HG13 VAL 28 -3.864 4.085 0.715 210 1HG2 VAL 28 HG21 VAL 28 -6.348 5.766 0.001 211 2HG2 VAL 28 HG22 VAL 28 -5.571 6.840 -1.164 212 3HG2 VAL 28 HG23 VAL 28 -4.769 6.461 0.362 213 H ALA 29 HN ALA 29 -1.421 3.821 -1.063 214 HA ALA 29 HA ALA 29 -1.482 2.263 -3.550 215 1HB ALA 29 HB1 ALA 29 0.625 2.437 -1.396 216 2HB ALA 29 HB2 ALA 29 0.681 3.200 -2.985 217 3HB ALA 29 HB3 ALA 29 0.736 1.443 -2.848 218 H ILE 30 HN ILE 30 -2.795 0.575 -3.428 219 HA ILE 30 HA ILE 30 -3.044 -0.844 -0.869 220 HB ILE 30 HB ILE 30 -4.787 -1.067 -3.333 221 1HG1 ILE 30 HG12 ILE 30 -5.269 0.328 -0.687 222 2HG1 ILE 30 HG11 ILE 30 -5.008 1.122 -2.237 223 1HG2 ILE 30 HG21 ILE 30 -4.756 -3.127 -2.043 224 2HG2 ILE 30 HG22 ILE 30 -6.311 -2.313 -1.849 225 3HG2 ILE 30 HG23 ILE 30 -5.104 -2.231 -0.565 226 1HD1 ILE 30 HD11 ILE 30 -7.083 0.160 -3.077 227 2HD1 ILE 30 HD12 ILE 30 -7.355 1.113 -1.619 228 3HD1 ILE 30 HD13 ILE 30 -7.336 -0.647 -1.532 229 H PHE 31 HN PHE 31 -1.517 -2.340 -0.718 230 HA PHE 31 HA PHE 31 -0.730 -3.845 -3.099 231 1HB PHE 31 HB2 PHE 31 0.502 -3.596 -0.354 232 2HB PHE 31 HB1 PHE 31 1.087 -4.723 -1.570 233 HD1 PHE 31 HD1 PHE 31 2.218 -3.930 -3.555 234 HD2 PHE 31 HD2 PHE 31 0.882 -1.232 -0.554 235 HE1 PHE 31 HE1 PHE 31 3.650 -2.169 -4.506 236 HE2 PHE 31 HE2 PHE 31 2.317 0.533 -1.490 237 HZ PHE 31 HZ PHE 31 3.700 0.067 -3.471 238 H ARG 32 HN ARG 32 -1.621 -5.757 -3.478 239 HA ARG 32 HA ARG 32 -2.423 -7.439 -1.214 240 1HB ARG 32 HB2 ARG 32 -3.981 -7.271 -3.141 241 2HB ARG 32 HB1 ARG 32 -2.717 -7.864 -4.206 242 1HG ARG 32 HG2 ARG 32 -2.704 -9.988 -2.940 243 2HG ARG 32 HG1 ARG 32 -4.055 -9.382 -1.979 244 1HD ARG 32 HD2 ARG 32 -5.384 -9.140 -4.035 245 2HD ARG 32 HD1 ARG 32 -4.042 -9.796 -4.970 246 HE ARG 32 HE ARG 32 -4.646 -11.639 -2.971 247 1HH1 ARG 32 HH11 ARG 32 -6.184 -10.278 -5.816 248 2HH1 ARG 32 HH12 ARG 32 -7.182 -11.673 -6.087 249 1HH2 ARG 32 HH21 ARG 32 -5.940 -13.479 -3.358 250 2HH2 ARG 32 HH22 ARG 32 -7.057 -13.483 -4.695 251 HA PRO 33 HA PRO 33 1.768 -8.910 -2.042 252 1HB PRO 33 HB2 PRO 33 2.531 -9.237 0.466 253 2HB PRO 33 HB1 PRO 33 2.235 -7.617 -0.171 254 1HG PRO 33 HG2 PRO 33 0.523 -9.299 1.603 255 2HG PRO 33 HG1 PRO 33 0.802 -7.550 1.639 256 1HD PRO 33 HD2 PRO 33 -1.389 -8.853 0.452 257 2HD PRO 33 HD1 PRO 33 -0.915 -7.163 0.206 258 H TYR 34 HN TYR 34 -0.896 -10.609 -0.973 259 HA TYR 34 HA TYR 34 0.615 -13.124 -1.070 260 1HB TYR 34 HB2 TYR 34 -1.581 -12.350 0.845 261 2HB TYR 34 HB1 TYR 34 -1.215 -14.034 0.493 262 HD1 TYR 34 HD1 TYR 34 1.259 -14.764 0.844 263 HD2 TYR 34 HD2 TYR 34 -0.446 -11.264 2.565 264 HE1 TYR 34 HE1 TYR 34 3.020 -14.757 2.556 265 HE2 TYR 34 HE2 TYR 34 1.316 -11.246 4.281 266 HH TYR 34 HH TYR 34 2.897 -12.734 5.327 267 H HIS 35 HN HIS 35 -1.053 -15.001 -1.380 268 HA HIS 35 HA HIS 35 -2.498 -14.358 -3.812 269 1HB HIS 35 HB2 HIS 35 -2.173 -17.008 -2.372 270 2HB HIS 35 HB1 HIS 35 -2.892 -16.793 -3.965 271 HD1 HIS 35 HD1 HIS 35 -1.317 -16.793 -5.934 272 HD2 HIS 35 HD2 HIS 35 0.663 -16.436 -2.295 273 HE1 HIS 35 HE1 HIS 35 1.128 -16.973 -6.470 274 HE2 HIS 35 HE2 HIS 35 2.302 -16.533 -4.290 275 H SER 36 HN SER 36 -3.126 -14.358 -0.554 276 HA SER 36 HA SER 36 -5.918 -15.123 -0.724 277 1HB SER 36 HB2 SER 36 -5.842 -14.498 1.745 278 2HB SER 36 HB1 SER 36 -4.799 -15.834 1.255 279 HG SER 36 HG SER 36 -3.700 -14.338 2.592 280 H ASP 37 HN ASP 37 -7.115 -13.359 1.009 281 HA ASP 37 HA ASP 37 -7.335 -11.015 -0.717 282 1HB ASP 37 HB2 ASP 37 -9.423 -10.566 0.560 283 2HB ASP 37 HB1 ASP 37 -9.411 -12.147 -0.213 284 H GLN 38 HN GLN 38 -5.181 -11.502 1.384 285 HA GLN 38 HA GLN 38 -5.590 -9.424 3.327 286 1HB GLN 38 HB2 GLN 38 -3.056 -10.869 2.516 287 2HB GLN 38 HB1 GLN 38 -3.239 -9.841 3.929 288 1HG GLN 38 HG2 GLN 38 -4.787 -12.375 3.444 289 2HG GLN 38 HG1 GLN 38 -3.343 -12.253 4.448 290 1HE2 GLN 38 HE21 GLN 38 -3.985 -9.700 5.559 291 2HE2 GLN 38 HE22 GLN 38 -5.297 -9.937 6.659 292 H VAL 39 HN VAL 39 -5.521 -7.323 2.812 293 HA VAL 39 HA VAL 39 -3.615 -6.466 0.739 294 HB VAL 39 HB VAL 39 -5.244 -4.654 0.137 295 1HG1 VAL 39 HG11 VAL 39 -6.163 -7.497 -0.286 296 2HG1 VAL 39 HG12 VAL 39 -4.995 -6.617 -1.271 297 3HG1 VAL 39 HG13 VAL 39 -6.682 -6.104 -1.235 298 1HG2 VAL 39 HG21 VAL 39 -7.606 -4.972 0.726 299 2HG2 VAL 39 HG22 VAL 39 -6.613 -4.693 2.158 300 3HG2 VAL 39 HG23 VAL 39 -7.162 -6.324 1.767 301 H PHE 40 HN PHE 40 -2.435 -4.662 1.164 302 HA PHE 40 HA PHE 40 -2.970 -3.296 3.719 303 1HB PHE 40 HB2 PHE 40 -0.265 -3.968 2.540 304 2HB PHE 40 HB1 PHE 40 -0.540 -3.072 4.030 305 HD1 PHE 40 HD1 PHE 40 0.141 -6.223 2.671 306 HD2 PHE 40 HD2 PHE 40 -2.018 -4.330 5.807 307 HE1 PHE 40 HE1 PHE 40 0.130 -8.338 3.932 308 HE2 PHE 40 HE2 PHE 40 -2.042 -6.438 7.071 309 HZ PHE 40 HZ PHE 40 -0.965 -8.446 6.137 310 H ALA 41 HN ALA 41 -3.253 -1.178 3.528 311 HA ALA 41 HA ALA 41 -2.502 0.076 0.978 312 1HB ALA 41 HB1 ALA 41 -4.308 1.666 1.382 313 2HB ALA 41 HB2 ALA 41 -4.673 0.869 2.913 314 3HB ALA 41 HB3 ALA 41 -4.905 0.006 1.393 315 H ILE 42 HN ILE 42 -0.966 1.539 1.000 316 HA ILE 42 HA ILE 42 -0.544 3.147 3.435 317 HB ILE 42 HB ILE 42 1.896 3.162 2.941 318 1HG1 ILE 42 HG12 ILE 42 1.217 0.905 1.038 319 2HG1 ILE 42 HG11 ILE 42 1.745 2.515 0.558 320 1HG2 ILE 42 HG21 ILE 42 1.019 1.726 4.682 321 2HG2 ILE 42 HG22 ILE 42 2.360 0.934 3.856 322 3HG2 ILE 42 HG23 ILE 42 0.701 0.453 3.503 323 1HD1 ILE 42 HD11 ILE 42 3.561 0.915 0.441 324 2HD1 ILE 42 HD12 ILE 42 3.352 0.535 2.151 325 3HD1 ILE 42 HD13 ILE 42 3.882 2.145 1.663 326 H SER 43 HN SER 43 1.276 4.933 2.602 327 HA SER 43 HA SER 43 -0.155 6.549 0.739 328 1HB SER 43 HB2 SER 43 2.660 6.920 1.793 329 2HB SER 43 HB1 SER 43 1.643 8.160 1.061 330 HG SER 43 HG SER 43 0.262 7.059 3.034 331 H ASN 44 HN ASN 44 0.003 6.579 -1.417 332 HA ASN 44 HA ASN 44 1.724 4.673 -2.719 333 1HB ASN 44 HB2 ASN 44 -0.659 5.169 -3.383 334 2HB ASN 44 HB1 ASN 44 -0.098 6.719 -3.997 335 1HD2 ASN 44 HD21 ASN 44 -0.757 6.226 -6.064 336 2HD2 ASN 44 HD22 ASN 44 0.103 5.111 -7.063 337 H ILE 45 HN ILE 45 1.755 8.055 -2.104 338 HA ILE 45 HA ILE 45 4.091 8.431 -3.868 339 HB ILE 45 HB ILE 45 2.258 10.463 -2.562 340 1HG1 ILE 45 HG12 ILE 45 1.251 9.355 -4.489 341 2HG1 ILE 45 HG11 ILE 45 1.635 11.029 -4.876 342 1HG2 ILE 45 HG21 ILE 45 3.537 12.155 -3.794 343 2HG2 ILE 45 HG22 ILE 45 4.670 10.905 -4.310 344 3HG2 ILE 45 HG23 ILE 45 4.521 11.309 -2.600 345 1HD1 ILE 45 HD11 ILE 45 2.168 9.556 -6.721 346 2HD1 ILE 45 HD12 ILE 45 3.234 8.609 -5.683 347 3HD1 ILE 45 HD13 ILE 45 3.634 10.285 -6.067 348 H ASP 46 HN ASP 46 6.037 8.723 -2.924 349 HA ASP 46 HA ASP 46 6.421 8.371 -0.129 350 1HB ASP 46 HB2 ASP 46 8.058 7.703 -1.884 351 2HB ASP 46 HB1 ASP 46 8.378 9.404 -2.195 352 HA PRO 47 HA PRO 47 6.066 12.692 0.937 353 1HB PRO 47 HB2 PRO 47 6.268 12.172 3.678 354 2HB PRO 47 HB1 PRO 47 4.786 12.174 2.722 355 1HG PRO 47 HG2 PRO 47 6.011 9.947 3.972 356 2HG PRO 47 HG1 PRO 47 4.634 9.924 2.860 357 1HD PRO 47 HD2 PRO 47 7.504 9.364 2.329 358 2HD PRO 47 HD1 PRO 47 6.055 8.723 1.523 359 H PHE 48 HN PHE 48 8.528 10.777 2.682 360 HA PHE 48 HA PHE 48 9.929 13.050 3.664 361 1HB PHE 48 HB2 PHE 48 9.944 10.851 4.785 362 2HB PHE 48 HB1 PHE 48 10.825 10.168 3.426 363 HD1 PHE 48 HD1 PHE 48 11.025 12.437 6.305 364 HD2 PHE 48 HD2 PHE 48 13.179 10.488 3.194 365 HE1 PHE 48 HE1 PHE 48 13.145 13.007 7.418 366 HE2 PHE 48 HE2 PHE 48 15.302 11.057 4.301 367 HZ PHE 48 HZ PHE 48 15.286 12.315 6.417 368 H PHE 49 HN PHE 49 10.540 10.759 1.058 369 HA PHE 49 HA PHE 49 12.881 12.300 0.177 370 1HB PHE 49 HB2 PHE 49 13.143 9.876 0.515 371 2HB PHE 49 HB1 PHE 49 11.816 9.565 -0.593 372 HD1 PHE 49 HD1 PHE 49 12.127 9.808 -2.997 373 HD2 PHE 49 HD2 PHE 49 15.339 10.427 -0.276 374 HE1 PHE 49 HE1 PHE 49 13.729 9.571 -4.845 375 HE2 PHE 49 HE2 PHE 49 16.947 10.198 -2.126 376 HZ PHE 49 HZ PHE 49 16.139 9.755 -4.408 377 H GLU 50 HN GLU 50 9.650 11.445 -0.567 378 HA GLU 50 HA GLU 50 8.154 12.014 -2.133 379 1HB GLU 50 HB2 GLU 50 8.975 14.340 -1.855 380 2HB GLU 50 HB1 GLU 50 10.136 14.055 -3.148 381 1HG GLU 50 HG2 GLU 50 8.302 13.597 -4.697 382 2HG GLU 50 HG1 GLU 50 7.141 13.884 -3.405 383 H SER 51 HN SER 51 7.750 10.526 -3.523 384 HA SER 51 HA SER 51 9.415 10.246 -5.888 385 1HB SER 51 HB2 SER 51 8.730 7.868 -4.138 386 2HB SER 51 HB1 SER 51 9.652 7.836 -5.640 387 HG SER 51 HG SER 51 10.830 9.602 -4.097 388 H SER 52 HN SER 52 8.260 8.279 -7.200 389 HA SER 52 HA SER 52 5.537 9.210 -7.537 390 1HB SER 52 HB2 SER 52 6.997 7.071 -9.106 391 2HB SER 52 HB1 SER 52 5.578 7.987 -9.612 392 HG SER 52 HG SER 52 7.313 9.815 -9.083 393 H VAL 53 HN VAL 53 4.451 6.844 -8.601 394 HA VAL 53 HA VAL 53 3.271 5.864 -6.235 395 HB VAL 53 HB VAL 53 1.901 4.484 -7.662 396 1HG1 VAL 53 HG11 VAL 53 2.473 7.147 -8.958 397 2HG1 VAL 53 HG12 VAL 53 1.373 6.856 -7.610 398 3HG1 VAL 53 HG13 VAL 53 1.019 6.180 -9.201 399 1HG2 VAL 53 HG21 VAL 53 2.303 4.301 -10.079 400 2HG2 VAL 53 HG22 VAL 53 3.614 3.585 -9.142 401 3HG2 VAL 53 HG23 VAL 53 3.825 5.171 -9.883 402 H LEU 54 HN LEU 54 3.444 3.978 -5.173 403 HA LEU 54 HA LEU 54 5.830 2.393 -5.634 404 1HB LEU 54 HB2 LEU 54 3.710 2.158 -3.491 405 2HB LEU 54 HB1 LEU 54 5.236 1.296 -3.520 406 HG LEU 54 HG LEU 54 4.918 4.286 -3.261 407 1HD1 LEU 54 HD11 LEU 54 5.710 3.956 -0.981 408 2HD1 LEU 54 HD12 LEU 54 5.736 2.212 -1.236 409 3HD1 LEU 54 HD13 LEU 54 4.204 3.085 -1.267 410 1HD2 LEU 54 HD21 LEU 54 6.962 3.689 -4.446 411 2HD2 LEU 54 HD22 LEU 54 7.394 2.564 -3.159 412 3HD2 LEU 54 HD23 LEU 54 7.325 4.296 -2.832 413 H SER 55 HN SER 55 2.758 2.382 -6.778 414 HA SER 55 HA SER 55 1.975 -0.309 -6.771 415 1HB SER 55 HB2 SER 55 0.414 1.442 -7.349 416 2HB SER 55 HB1 SER 55 1.401 1.943 -8.721 417 HG SER 55 HG SER 55 0.313 -0.667 -8.519 418 H ARG 56 HN ARG 56 4.474 1.290 -8.465 419 HA ARG 56 HA ARG 56 4.758 -0.930 -10.360 420 1HB ARG 56 HB2 ARG 56 4.630 1.313 -11.361 421 2HB ARG 56 HB1 ARG 56 6.002 1.834 -10.398 422 1HG ARG 56 HG2 ARG 56 7.510 0.563 -11.629 423 2HG ARG 56 HG1 ARG 56 6.242 -0.470 -12.287 424 1HD ARG 56 HD2 ARG 56 7.276 1.243 -13.859 425 2HD ARG 56 HD1 ARG 56 5.518 1.174 -13.787 426 HE ARG 56 HE ARG 56 5.513 3.220 -12.582 427 1HH1 ARG 56 HH11 ARG 56 8.728 2.269 -13.615 428 2HH1 ARG 56 HH12 ARG 56 9.336 3.900 -13.640 429 1HH2 ARG 56 HH21 ARG 56 6.313 5.352 -12.600 430 2HH2 ARG 56 HH22 ARG 56 7.964 5.649 -13.044 431 H GLY 57 HN GLY 57 5.370 -1.455 -7.720 432 1HA GLY 57 HA2 GLY 57 8.302 -1.701 -7.832 433 2HA GLY 57 HA1 GLY 57 7.521 -1.128 -6.366 434 H LEU 58 HN LEU 58 9.124 -3.290 -6.186 435 HA LEU 58 HA LEU 58 7.493 -5.691 -6.567 436 1HB LEU 58 HB2 LEU 58 10.443 -5.372 -6.007 437 2HB LEU 58 HB1 LEU 58 9.628 -6.916 -6.123 438 HG LEU 58 HG LEU 58 10.704 -6.617 -8.189 439 1HD1 LEU 58 HD11 LEU 58 7.835 -5.777 -8.562 440 2HD1 LEU 58 HD12 LEU 58 8.433 -7.430 -8.428 441 3HD1 LEU 58 HD13 LEU 58 8.886 -6.439 -9.814 442 1HD2 LEU 58 HD21 LEU 58 9.537 -3.840 -8.322 443 2HD2 LEU 58 HD22 LEU 58 10.519 -4.612 -9.567 444 3HD2 LEU 58 HD23 LEU 58 11.222 -4.244 -7.992 445 H ILE 59 HN ILE 59 7.094 -7.153 -4.931 446 HA ILE 59 HA ILE 59 7.336 -6.066 -2.220 447 HB ILE 59 HB ILE 59 5.567 -8.284 -3.275 448 1HG1 ILE 59 HG12 ILE 59 4.873 -5.477 -2.374 449 2HG1 ILE 59 HG11 ILE 59 4.959 -6.005 -4.050 450 1HG2 ILE 59 HG21 ILE 59 6.163 -8.664 -0.948 451 2HG2 ILE 59 HG22 ILE 59 4.470 -8.184 -1.079 452 3HG2 ILE 59 HG23 ILE 59 5.679 -7.018 -0.538 453 1HD1 ILE 59 HD11 ILE 59 2.664 -5.910 -3.279 454 2HD1 ILE 59 HD12 ILE 59 3.040 -7.029 -1.971 455 3HD1 ILE 59 HD13 ILE 59 3.128 -7.571 -3.647 456 H ALA 60 HN ALA 60 8.814 -6.883 -0.905 457 HA ALA 60 HA ALA 60 9.759 -9.639 -1.367 458 1HB ALA 60 HB1 ALA 60 11.382 -7.281 -0.405 459 2HB ALA 60 HB2 ALA 60 11.491 -8.032 -1.996 460 3HB ALA 60 HB3 ALA 60 11.966 -8.937 -0.560 461 H GLU 61 HN GLU 61 11.084 -10.224 0.846 462 HA GLU 61 HA GLU 61 9.212 -9.575 3.020 463 1HB GLU 61 HB2 GLU 61 9.096 -11.947 2.172 464 2HB GLU 61 HB1 GLU 61 10.742 -12.163 2.750 465 1HG GLU 61 HG2 GLU 61 10.005 -11.615 5.024 466 2HG GLU 61 HG1 GLU 61 8.354 -11.451 4.433 467 H HIS 62 HN HIS 62 10.023 -8.957 4.934 468 HA HIS 62 HA HIS 62 12.837 -8.399 5.195 469 1HB HIS 62 HB2 HIS 62 11.196 -6.903 6.217 470 2HB HIS 62 HB1 HIS 62 10.538 -8.226 7.170 471 HD1 HIS 62 HD1 HIS 62 11.315 -8.236 9.511 472 HD2 HIS 62 HD2 HIS 62 14.107 -6.487 6.964 473 HE1 HIS 62 HE1 HIS 62 13.170 -7.408 10.994 474 HE2 HIS 62 HE2 HIS 62 14.737 -6.178 9.452 475 H GLN 63 HN GLN 63 10.546 -10.318 7.051 476 HA GLN 63 HA GLN 63 11.680 -12.790 6.953 477 1HB GLN 63 HB2 GLN 63 13.674 -11.686 8.065 478 2HB GLN 63 HB1 GLN 63 12.647 -11.388 9.461 479 1HG GLN 63 HG2 GLN 63 12.436 -13.693 9.917 480 2HG GLN 63 HG1 GLN 63 13.124 -14.139 8.356 481 1HE2 GLN 63 HE21 GLN 63 15.243 -12.154 8.487 482 2HE2 GLN 63 HE22 GLN 63 16.394 -12.743 9.641 483 H GLY 64 HN GLY 64 9.432 -13.081 6.904 484 1HA GLY 64 HA2 GLY 64 7.567 -13.859 8.208 485 2HA GLY 64 HA1 GLY 64 8.081 -12.796 9.512 486 H GLU 65 HN GLU 65 8.349 -10.381 8.440 487 HA GLU 65 HA GLU 65 5.693 -9.741 7.399 488 1HB GLU 65 HB2 GLU 65 7.778 -8.222 8.863 489 2HB GLU 65 HB1 GLU 65 6.775 -7.320 7.734 490 1HG GLU 65 HG2 GLU 65 4.782 -8.288 8.910 491 2HG GLU 65 HG1 GLU 65 5.897 -8.887 10.138 492 H LEU 66 HN LEU 66 5.345 -8.596 5.526 493 HA LEU 66 HA LEU 66 7.503 -8.795 3.572 494 1HB LEU 66 HB2 LEU 66 4.574 -8.177 3.192 495 2HB LEU 66 HB1 LEU 66 5.744 -8.382 1.904 496 HG LEU 66 HG LEU 66 4.887 -10.528 3.850 497 1HD1 LEU 66 HD11 LEU 66 3.804 -11.533 1.923 498 2HD1 LEU 66 HD12 LEU 66 4.297 -10.170 0.920 499 3HD1 LEU 66 HD13 LEU 66 3.154 -9.926 2.243 500 1HD2 LEU 66 HD21 LEU 66 6.167 -12.038 2.426 501 2HD2 LEU 66 HD22 LEU 66 7.207 -10.801 3.134 502 3HD2 LEU 66 HD23 LEU 66 6.704 -10.671 1.447 503 H TRP 67 HN TRP 67 8.368 -7.106 2.517 504 HA TRP 67 HA TRP 67 7.429 -4.398 3.170 505 1HB TRP 67 HB2 TRP 67 10.266 -5.448 3.158 506 2HB TRP 67 HB1 TRP 67 9.899 -3.734 3.037 507 HD1 TRP 67 HD1 TRP 67 8.538 -6.444 5.493 508 HE1 TRP 67 HE1 TRP 67 8.850 -5.557 7.889 509 HE3 TRP 67 HE3 TRP 67 10.848 -2.017 4.413 510 HZ2 TRP 67 HZ2 TRP 67 9.952 -3.273 9.150 511 HZ3 TRP 67 HZ3 TRP 67 11.501 -0.541 6.269 512 HH2 TRP 67 HH2 TRP 67 11.059 -1.158 8.589 513 H VAL 68 HN VAL 68 7.645 -2.883 1.465 514 HA VAL 68 HA VAL 68 7.927 -4.183 -1.142 515 HB VAL 68 HB VAL 68 5.833 -2.976 -0.777 516 1HG1 VAL 68 HG11 VAL 68 6.608 -1.274 0.779 517 2HG1 VAL 68 HG12 VAL 68 5.786 -0.536 -0.595 518 3HG1 VAL 68 HG13 VAL 68 7.546 -0.510 -0.503 519 1HG2 VAL 68 HG21 VAL 68 6.699 -3.132 -3.047 520 2HG2 VAL 68 HG22 VAL 68 7.602 -1.634 -2.818 521 3HG2 VAL 68 HG23 VAL 68 5.839 -1.611 -2.807 522 H ALA 69 HN ALA 69 9.458 -3.661 -2.590 523 HA ALA 69 HA ALA 69 11.495 -1.722 -1.720 524 1HB ALA 69 HB1 ALA 69 12.304 -4.021 -1.928 525 2HB ALA 69 HB2 ALA 69 13.063 -2.970 -3.126 526 3HB ALA 69 HB3 ALA 69 11.763 -4.062 -3.607 527 H SER 70 HN SER 70 11.799 0.053 -2.884 528 HA SER 70 HA SER 70 10.145 0.448 -5.232 529 1HB SER 70 HB2 SER 70 10.321 2.158 -3.393 530 2HB SER 70 HB1 SER 70 11.996 2.429 -3.884 531 HG SER 70 HG SER 70 9.614 3.103 -5.184 532 HA PRO 71 HA PRO 71 13.720 0.050 -7.942 533 1HB PRO 71 HB2 PRO 71 12.363 0.003 -10.247 534 2HB PRO 71 HB1 PRO 71 12.376 -1.395 -9.166 535 1HG PRO 71 HG2 PRO 71 10.261 0.661 -9.586 536 2HG PRO 71 HG1 PRO 71 10.094 -1.080 -9.305 537 1HD PRO 71 HD2 PRO 71 9.789 0.905 -7.373 538 2HD PRO 71 HD1 PRO 71 10.092 -0.811 -7.040 539 H LEU 72 HN LEU 72 11.480 2.516 -7.456 540 HA LEU 72 HA LEU 72 12.390 4.362 -9.462 541 1HB LEU 72 HB2 LEU 72 10.929 4.926 -6.875 542 2HB LEU 72 HB1 LEU 72 11.069 6.007 -8.248 543 HG LEU 72 HG LEU 72 9.606 3.368 -8.281 544 1HD1 LEU 72 HD11 LEU 72 7.576 4.731 -8.317 545 2HD1 LEU 72 HD12 LEU 72 8.552 6.188 -8.119 546 3HD1 LEU 72 HD13 LEU 72 8.497 4.979 -6.835 547 1HD2 LEU 72 HD21 LEU 72 9.736 5.599 -10.308 548 2HD2 LEU 72 HD22 LEU 72 8.721 4.161 -10.417 549 3HD2 LEU 72 HD23 LEU 72 10.477 4.006 -10.465 550 H LYS 73 HN LYS 73 12.836 3.952 -5.988 551 HA LYS 73 HA LYS 73 15.608 4.732 -6.277 552 1HB LYS 73 HB2 LYS 73 15.653 6.400 -4.615 553 2HB LYS 73 HB1 LYS 73 14.257 6.808 -5.592 554 1HG LYS 73 HG2 LYS 73 14.170 5.389 -2.939 555 2HG LYS 73 HG1 LYS 73 13.858 7.101 -3.194 556 1HD LYS 73 HD2 LYS 73 11.931 6.592 -4.558 557 2HD LYS 73 HD1 LYS 73 12.268 4.864 -4.447 558 1HE LYS 73 HE2 LYS 73 10.486 5.479 -2.917 559 2HE LYS 73 HE1 LYS 73 11.913 4.962 -2.020 560 1HZ LYS 73 HZ1 LYS 73 10.850 6.965 -1.087 561 2HZ LYS 73 HZ2 LYS 73 11.176 7.793 -2.535 562 3HZ LYS 73 HZ3 LYS 73 12.452 7.241 -1.573 563 H LYS 74 HN LYS 74 16.898 3.524 -4.969 564 HA LYS 74 HA LYS 74 15.822 1.140 -3.945 565 1HB LYS 74 HB2 LYS 74 18.174 1.517 -4.790 566 2HB LYS 74 HB1 LYS 74 18.523 2.298 -3.254 567 1HG LYS 74 HG2 LYS 74 18.122 0.269 -2.053 568 2HG LYS 74 HG1 LYS 74 17.536 -0.533 -3.513 569 1HD LYS 74 HD2 LYS 74 19.792 -0.174 -4.522 570 2HD LYS 74 HD1 LYS 74 20.342 0.428 -2.957 571 1HE LYS 74 HE2 LYS 74 19.847 -1.708 -1.928 572 2HE LYS 74 HE1 LYS 74 19.173 -2.313 -3.441 573 1HZ LYS 74 HZ1 LYS 74 21.381 -2.028 -4.452 574 2HZ LYS 74 HZ2 LYS 74 21.400 -3.130 -3.164 575 3HZ LYS 74 HZ3 LYS 74 22.004 -1.562 -2.945 576 H GLN 75 HN GLN 75 14.416 1.220 -2.340 577 HA GLN 75 HA GLN 75 15.158 1.933 0.310 578 1HB GLN 75 HB2 GLN 75 14.749 4.182 -0.751 579 2HB GLN 75 HB1 GLN 75 13.093 3.686 -1.046 580 1HG GLN 75 HG2 GLN 75 12.662 3.547 1.311 581 2HG GLN 75 HG1 GLN 75 14.358 3.875 1.674 582 1HE2 GLN 75 HE21 GLN 75 15.163 5.963 1.391 583 2HE2 GLN 75 HE22 GLN 75 14.121 7.331 1.227 584 H ARG 76 HN ARG 76 13.407 1.341 1.826 585 HA ARG 76 HA ARG 76 11.397 -0.365 0.532 586 1HB ARG 76 HB2 ARG 76 11.769 -2.048 2.331 587 2HB ARG 76 HB1 ARG 76 13.123 -1.851 1.229 588 1HG ARG 76 HG2 ARG 76 14.229 -0.416 2.910 589 2HG ARG 76 HG1 ARG 76 12.897 -0.744 4.022 590 1HD ARG 76 HD2 ARG 76 14.818 -2.203 4.455 591 2HD ARG 76 HD1 ARG 76 13.401 -3.123 3.950 592 HE ARG 76 HE ARG 76 15.341 -2.406 1.890 593 1HH1 ARG 76 HH11 ARG 76 14.041 -4.870 4.022 594 2HH1 ARG 76 HH12 ARG 76 14.736 -6.181 3.124 595 1HH2 ARG 76 HH21 ARG 76 16.234 -4.124 0.699 596 2HH2 ARG 76 HH22 ARG 76 15.988 -5.759 1.231 597 H PHE 77 HN PHE 77 9.459 -0.606 1.479 598 HA PHE 77 HA PHE 77 8.864 1.097 3.818 599 1HB PHE 77 HB2 PHE 77 7.033 0.497 1.478 600 2HB PHE 77 HB1 PHE 77 6.656 1.522 2.855 601 HD1 PHE 77 HD1 PHE 77 7.089 3.800 2.774 602 HD2 PHE 77 HD2 PHE 77 8.953 1.224 -0.055 603 HE1 PHE 77 HE1 PHE 77 7.913 5.761 1.535 604 HE2 PHE 77 HE2 PHE 77 9.784 3.178 -1.295 605 HZ PHE 77 HZ PHE 77 9.262 5.450 -0.500 606 H ARG 78 HN ARG 78 7.658 0.184 5.418 607 HA ARG 78 HA ARG 78 7.244 -2.658 5.414 608 1HB ARG 78 HB2 ARG 78 7.893 -1.288 7.412 609 2HB ARG 78 HB1 ARG 78 6.289 -0.579 7.391 610 1HG ARG 78 HG2 ARG 78 5.309 -2.771 7.805 611 2HG ARG 78 HG1 ARG 78 6.925 -3.487 7.823 612 1HD ARG 78 HD2 ARG 78 7.516 -1.923 9.673 613 2HD ARG 78 HD1 ARG 78 5.830 -1.414 9.716 614 HE ARG 78 HE ARG 78 5.930 -4.210 9.956 615 1HH1 ARG 78 HH11 ARG 78 6.689 -1.299 11.759 616 2HH1 ARG 78 HH12 ARG 78 6.586 -2.068 13.310 617 1HH2 ARG 78 HH21 ARG 78 5.855 -5.252 12.008 618 2HH2 ARG 78 HH22 ARG 78 6.157 -4.316 13.455 619 H LEU 79 HN LEU 79 5.483 -3.670 4.615 620 HA LEU 79 HA LEU 79 3.308 -2.142 3.567 621 1HB LEU 79 HB2 LEU 79 3.763 -5.109 3.790 622 2HB LEU 79 HB1 LEU 79 2.364 -4.404 3.002 623 HG LEU 79 HG LEU 79 5.230 -3.989 2.155 624 1HD1 LEU 79 HD11 LEU 79 3.030 -5.643 0.923 625 2HD1 LEU 79 HD12 LEU 79 4.463 -6.267 1.742 626 3HD1 LEU 79 HD13 LEU 79 4.629 -5.370 0.232 627 1HD2 LEU 79 HD21 LEU 79 3.821 -2.069 1.654 628 2HD2 LEU 79 HD22 LEU 79 2.635 -3.126 0.889 629 3HD2 LEU 79 HD23 LEU 79 4.238 -2.940 0.178 630 H SER 80 HN SER 80 3.597 -4.468 6.229 631 HA SER 80 HA SER 80 0.909 -4.674 6.894 632 1HB SER 80 HB2 SER 80 2.916 -4.722 9.090 633 2HB SER 80 HB1 SER 80 1.644 -5.880 8.703 634 HG SER 80 HG SER 80 4.188 -6.109 8.165 635 H ASP 81 HN ASP 81 3.334 -2.364 8.028 636 HA ASP 81 HA ASP 81 1.304 -1.065 9.720 637 1HB ASP 81 HB2 ASP 81 3.119 -1.802 11.056 638 2HB ASP 81 HB1 ASP 81 4.310 -1.230 9.895 639 H GLY 82 HN GLY 82 3.988 -0.294 7.503 640 1HA GLY 82 HA2 GLY 82 3.477 1.442 5.809 641 2HA GLY 82 HA1 GLY 82 2.694 2.341 7.103 642 H LEU 83 HN LEU 83 5.179 1.042 8.615 643 HA LEU 83 HA LEU 83 6.776 3.296 8.828 644 1HB LEU 83 HB2 LEU 83 6.860 1.519 10.459 645 2HB LEU 83 HB1 LEU 83 7.436 0.387 9.252 646 HG LEU 83 HG LEU 83 9.493 1.886 9.049 647 1HD1 LEU 83 HD11 LEU 83 8.393 2.930 11.650 648 2HD1 LEU 83 HD12 LEU 83 8.619 3.845 10.159 649 3HD1 LEU 83 HD13 LEU 83 10.019 3.220 11.031 650 1HD2 LEU 83 HD21 LEU 83 10.562 0.842 10.982 651 2HD2 LEU 83 HD22 LEU 83 9.546 -0.297 10.103 652 3HD2 LEU 83 HD23 LEU 83 8.978 0.402 11.622 653 H CYS 84 HN CYS 84 7.468 4.203 6.887 654 HA CYS 84 HA CYS 84 9.107 2.722 5.058 655 1HB CYS 84 HB2 CYS 84 8.072 4.755 4.248 656 2HB CYS 84 HB1 CYS 84 8.799 5.691 5.548 657 HG CYS 84 HG CYS 84 9.949 6.085 2.882 658 H MET 85 HN MET 85 11.236 2.218 5.313 659 HA MET 85 HA MET 85 12.210 2.322 7.951 660 1HB MET 85 HB2 MET 85 12.717 0.658 6.030 661 2HB MET 85 HB1 MET 85 14.012 1.777 5.625 662 1HG MET 85 HG2 MET 85 15.055 1.463 7.734 663 2HG MET 85 HG1 MET 85 13.667 0.574 8.356 664 1HE MET 85 HE1 MET 85 15.009 -1.492 9.185 665 2HE MET 85 HE2 MET 85 16.468 -0.585 8.785 666 3HE MET 85 HE3 MET 85 16.296 -2.258 8.253 667 H GLU 86 HN GLU 86 12.710 4.479 5.268 668 HA GLU 86 HA GLU 86 14.885 5.855 6.641 669 1HB GLU 86 HB2 GLU 86 13.606 6.236 3.939 670 2HB GLU 86 HB1 GLU 86 14.807 7.344 4.587 671 1HG GLU 86 HG2 GLU 86 15.271 4.397 4.202 672 2HG GLU 86 HG1 GLU 86 15.708 5.634 3.022 673 H ASP 87 HN ASP 87 11.543 5.951 6.556 674 HA ASP 87 HA ASP 87 11.401 8.795 7.328 675 1HB ASP 87 HB2 ASP 87 9.915 7.742 5.439 676 2HB ASP 87 HB1 ASP 87 8.992 7.083 6.782 677 H GLU 88 HN GLU 88 12.093 6.165 8.791 678 HA GLU 88 HA GLU 88 10.365 5.045 10.444 679 1HB GLU 88 HB2 GLU 88 12.750 4.558 10.467 680 2HB GLU 88 HB1 GLU 88 13.070 6.078 11.289 681 1HG GLU 88 HG2 GLU 88 11.493 5.158 13.112 682 2HG GLU 88 HG1 GLU 88 11.789 3.596 12.352 683 H GLN 89 HN GLN 89 11.525 8.349 10.977 684 HA GLN 89 HA GLN 89 10.631 8.636 13.620 685 1HB GLN 89 HB2 GLN 89 12.202 10.172 12.429 686 2HB GLN 89 HB1 GLN 89 10.829 10.810 11.531 687 1HG GLN 89 HG2 GLN 89 9.810 11.578 13.590 688 2HG GLN 89 HG1 GLN 89 11.133 10.885 14.525 689 1HE2 GLN 89 HE21 GLN 89 11.741 12.822 15.414 690 2HE2 GLN 89 HE22 GLN 89 12.502 14.083 14.502 691 H PHE 90 HN PHE 90 8.970 9.334 10.533 692 HA PHE 90 HA PHE 90 6.533 9.870 12.109 693 1HB PHE 90 HB2 PHE 90 7.432 11.844 10.883 694 2HB PHE 90 HB1 PHE 90 7.215 10.966 9.374 695 HD1 PHE 90 HD1 PHE 90 5.207 11.111 8.225 696 HD2 PHE 90 HD2 PHE 90 5.346 12.212 12.331 697 HE1 PHE 90 HE1 PHE 90 2.895 11.936 8.074 698 HE2 PHE 90 HE2 PHE 90 3.033 13.038 12.189 699 HZ PHE 90 HZ PHE 90 1.803 12.898 10.060 700 H SER 91 HN SER 91 7.829 8.355 9.207 701 HA SER 91 HA SER 91 7.139 6.587 7.967 702 1HB SER 91 HB2 SER 91 4.919 6.277 10.007 703 2HB SER 91 HB1 SER 91 5.361 5.096 8.775 704 HG SER 91 HG SER 91 6.817 5.922 11.053 705 H VAL 92 HN VAL 92 4.830 5.738 6.924 706 HA VAL 92 HA VAL 92 3.777 8.192 5.714 707 HB VAL 92 HB VAL 92 3.036 6.875 3.848 708 1HG1 VAL 92 HG11 VAL 92 5.361 7.553 3.803 709 2HG1 VAL 92 HG12 VAL 92 5.171 5.980 3.026 710 3HG1 VAL 92 HG13 VAL 92 5.827 6.083 4.660 711 1HG2 VAL 92 HG21 VAL 92 3.363 4.456 3.708 712 2HG2 VAL 92 HG22 VAL 92 2.290 4.884 5.042 713 3HG2 VAL 92 HG23 VAL 92 3.965 4.440 5.367 714 H LYS 93 HN LYS 93 1.410 7.838 4.886 715 HA LYS 93 HA LYS 93 -0.171 7.379 7.273 716 1HB LYS 93 HB2 LYS 93 -0.496 9.375 5.784 717 2HB LYS 93 HB1 LYS 93 -1.071 8.290 4.528 718 1HG LYS 93 HG2 LYS 93 -2.953 7.645 5.902 719 2HG LYS 93 HG1 LYS 93 -2.349 8.632 7.233 720 1HD LYS 93 HD2 LYS 93 -2.559 10.637 5.794 721 2HD LYS 93 HD1 LYS 93 -3.262 9.624 4.531 722 1HE LYS 93 HE2 LYS 93 -5.081 9.012 6.054 723 2HE LYS 93 HE1 LYS 93 -4.382 10.047 7.296 724 1HZ LYS 93 HZ1 LYS 93 -6.132 11.224 6.222 725 2HZ LYS 93 HZ2 LYS 93 -5.499 10.902 4.683 726 3HZ LYS 93 HZ3 LYS 93 -4.674 11.937 5.735 727 H HIS 94 HN HIS 94 -0.732 5.346 7.700 728 HA HIS 94 HA HIS 94 -1.139 3.431 5.554 729 1HB HIS 94 HB2 HIS 94 0.110 2.740 7.563 730 2HB HIS 94 HB1 HIS 94 -1.294 3.064 8.565 731 HD1 HIS 94 HD1 HIS 94 -3.202 1.329 8.548 732 HD2 HIS 94 HD2 HIS 94 0.006 0.358 6.079 733 HE1 HIS 94 HE1 HIS 94 -3.519 -1.089 7.939 734 HE2 HIS 94 HE2 HIS 94 -1.433 -1.706 6.670 735 H TYR 95 HN TYR 95 -3.036 3.037 4.683 736 HA TYR 95 HA TYR 95 -5.427 4.152 5.938 737 1HB TYR 95 HB2 TYR 95 -4.947 3.127 3.132 738 2HB TYR 95 HB1 TYR 95 -6.481 3.761 3.715 739 HD1 TYR 95 HD1 TYR 95 -6.843 6.102 3.955 740 HD2 TYR 95 HD2 TYR 95 -3.010 4.639 2.835 741 HE1 TYR 95 HE1 TYR 95 -6.173 8.377 3.317 742 HE2 TYR 95 HE2 TYR 95 -2.325 6.910 2.193 743 HH TYR 95 HH TYR 95 -3.474 9.047 1.469 744 H GLU 96 HN GLU 96 -7.445 2.893 5.701 745 HA GLU 96 HA GLU 96 -6.954 0.109 6.468 746 1HB GLU 96 HB2 GLU 96 -9.212 2.033 6.972 747 2HB GLU 96 HB1 GLU 96 -9.373 0.312 7.296 748 1HG GLU 96 HG2 GLU 96 -7.589 0.393 8.901 749 2HG GLU 96 HG1 GLU 96 -7.240 2.070 8.487 750 H ALA 97 HN ALA 97 -7.193 -1.330 4.891 751 HA ALA 97 HA ALA 97 -9.314 -0.876 2.901 752 1HB ALA 97 HB1 ALA 97 -7.078 -0.622 1.919 753 2HB ALA 97 HB2 ALA 97 -7.933 -2.012 1.249 754 3HB ALA 97 HB3 ALA 97 -6.666 -2.252 2.453 755 H ARG 98 HN ARG 98 -10.607 -2.586 2.367 756 HA ARG 98 HA ARG 98 -10.018 -5.219 3.468 757 1HB ARG 98 HB2 ARG 98 -12.182 -5.435 4.561 758 2HB ARG 98 HB1 ARG 98 -11.313 -4.067 5.240 759 1HG ARG 98 HG2 ARG 98 -12.652 -2.537 3.887 760 2HG ARG 98 HG1 ARG 98 -13.516 -3.909 3.191 761 1HD ARG 98 HD2 ARG 98 -14.309 -4.522 5.436 762 2HD ARG 98 HD1 ARG 98 -13.475 -3.117 6.101 763 HE ARG 98 HE ARG 98 -15.282 -2.376 4.022 764 1HH1 ARG 98 HH11 ARG 98 -15.115 -3.285 7.398 765 2HH1 ARG 98 HH12 ARG 98 -16.583 -2.460 7.833 766 1HH2 ARG 98 HH21 ARG 98 -17.227 -1.291 4.579 767 2HH2 ARG 98 HH22 ARG 98 -17.778 -1.319 6.228 768 H VAL 99 HN VAL 99 -11.192 -6.901 2.450 769 HA VAL 99 HA VAL 99 -12.263 -6.130 -0.162 770 HB VAL 99 HB VAL 99 -11.536 -8.884 0.865 771 1HG1 VAL 99 HG11 VAL 99 -11.663 -9.570 -1.477 772 2HG1 VAL 99 HG12 VAL 99 -12.182 -7.946 -1.928 773 3HG1 VAL 99 HG13 VAL 99 -13.213 -8.949 -0.909 774 1HG2 VAL 99 HG21 VAL 99 -9.574 -7.456 0.702 775 2HG2 VAL 99 HG22 VAL 99 -10.012 -7.017 -0.949 776 3HG2 VAL 99 HG23 VAL 99 -9.556 -8.677 -0.570 777 H LYS 100 HN LYS 100 -14.318 -5.460 0.286 778 HA LYS 100 HA LYS 100 -16.084 -7.180 1.866 779 1HB LYS 100 HB2 LYS 100 -15.973 -4.682 2.222 780 2HB LYS 100 HB1 LYS 100 -16.679 -4.488 0.628 781 1HG LYS 100 HG2 LYS 100 -18.568 -5.997 1.528 782 2HG LYS 100 HG1 LYS 100 -17.921 -5.578 3.118 783 1HD LYS 100 HD2 LYS 100 -19.614 -3.991 2.677 784 2HD LYS 100 HD1 LYS 100 -18.088 -3.157 2.388 785 1HE LYS 100 HE2 LYS 100 -19.473 -2.560 0.584 786 2HE LYS 100 HE1 LYS 100 -18.378 -3.784 -0.056 787 1HZ LYS 100 HZ1 LYS 100 -21.188 -4.208 0.804 788 2HZ LYS 100 HZ2 LYS 100 -20.147 -5.443 0.285 789 3HZ LYS 100 HZ3 LYS 100 -20.612 -4.214 -0.786 790 H ASP 101 HN ASP 101 -17.143 -8.726 0.783 791 HA ASP 101 HA ASP 101 -18.334 -9.826 -0.822 792 1HB ASP 101 HB2 ASP 101 -18.942 -7.012 -1.764 793 2HB ASP 101 HB1 ASP 101 -19.721 -8.458 -2.393 794 H GLY 102 HN GLY 102 -15.483 -8.870 -1.276 795 1HA GLY 102 HA2 GLY 102 -14.014 -9.523 -2.999 796 2HA GLY 102 HA1 GLY 102 -15.373 -9.549 -4.113 797 H VAL 103 HN VAL 103 -15.550 -6.754 -2.317 798 HA VAL 103 HA VAL 103 -14.189 -5.223 -4.437 799 HB VAL 103 HB VAL 103 -16.458 -4.360 -2.632 800 1HG1 VAL 103 HG11 VAL 103 -16.563 -2.360 -4.034 801 2HG1 VAL 103 HG12 VAL 103 -15.147 -2.913 -4.929 802 3HG1 VAL 103 HG13 VAL 103 -15.005 -2.496 -3.220 803 1HG2 VAL 103 HG21 VAL 103 -16.446 -5.043 -5.565 804 2HG2 VAL 103 HG22 VAL 103 -17.813 -4.371 -4.683 805 3HG2 VAL 103 HG23 VAL 103 -17.206 -5.975 -4.277 806 H VAL 104 HN VAL 104 -12.476 -4.032 -3.877 807 HA VAL 104 HA VAL 104 -11.586 -3.994 -1.142 808 HB VAL 104 HB VAL 104 -10.378 -2.480 -3.463 809 1HG1 VAL 104 HG11 VAL 104 -8.315 -2.662 -2.151 810 2HG1 VAL 104 HG12 VAL 104 -9.207 -3.476 -0.866 811 3HG1 VAL 104 HG13 VAL 104 -9.578 -1.801 -1.272 812 1HG2 VAL 104 HG21 VAL 104 -9.815 -5.309 -2.556 813 2HG2 VAL 104 HG22 VAL 104 -8.896 -4.417 -3.769 814 3HG2 VAL 104 HG23 VAL 104 -10.582 -4.836 -4.071 815 H GLN 105 HN GLN 105 -12.453 -2.625 0.262 816 HA GLN 105 HA GLN 105 -13.175 0.064 -0.666 817 1HB GLN 105 HB2 GLN 105 -13.934 -1.432 1.844 818 2HB GLN 105 HB1 GLN 105 -14.360 0.246 1.529 819 1HG GLN 105 HG2 GLN 105 -15.482 -0.581 -0.583 820 2HG GLN 105 HG1 GLN 105 -15.273 -2.208 0.066 821 1HE2 GLN 105 HE21 GLN 105 -17.685 -0.678 -0.532 822 2HE2 GLN 105 HE22 GLN 105 -18.579 -0.603 0.952 823 H LEU 106 HN LEU 106 -12.257 1.862 0.186 824 HA LEU 106 HA LEU 106 -9.938 1.400 1.946 825 1HB LEU 106 HB2 LEU 106 -9.526 1.989 -0.509 826 2HB LEU 106 HB1 LEU 106 -10.173 3.570 -0.133 827 HG LEU 106 HG LEU 106 -7.657 3.374 -0.189 828 1HD1 LEU 106 HD11 LEU 106 -8.908 4.350 2.370 829 2HD1 LEU 106 HD12 LEU 106 -8.758 5.264 0.869 830 3HD1 LEU 106 HD13 LEU 106 -7.311 4.797 1.762 831 1HD2 LEU 106 HD21 LEU 106 -7.459 1.220 0.919 832 2HD2 LEU 106 HD22 LEU 106 -8.120 1.909 2.401 833 3HD2 LEU 106 HD23 LEU 106 -6.561 2.464 1.790 834 H ARG 107 HN ARG 107 -10.013 2.415 3.827 835 HA ARG 107 HA ARG 107 -11.596 4.891 4.055 836 1HB ARG 107 HB2 ARG 107 -12.465 2.991 5.426 837 2HB ARG 107 HB1 ARG 107 -10.924 2.939 6.271 838 1HG ARG 107 HG2 ARG 107 -11.293 5.258 7.015 839 2HG ARG 107 HG1 ARG 107 -12.879 5.226 6.247 840 1HD ARG 107 HD2 ARG 107 -13.515 4.641 8.339 841 2HD ARG 107 HD1 ARG 107 -13.095 3.034 7.749 842 HE ARG 107 HE ARG 107 -10.833 3.522 8.808 843 1HH1 ARG 107 HH11 ARG 107 -13.893 4.690 10.048 844 2HH1 ARG 107 HH12 ARG 107 -13.281 4.969 11.654 845 1HH2 ARG 107 HH21 ARG 107 -10.034 3.835 10.906 846 2HH2 ARG 107 HH22 ARG 107 -11.082 4.476 12.143 847 H GLY 108 HN GLY 108 -10.574 6.675 4.810 848 1HA GLY 108 HA2 GLY 108 -8.022 6.389 6.194 849 2HA GLY 108 HA1 GLY 108 -8.006 7.270 4.675 850 H GLY 109 HN GLY 109 -8.654 9.347 4.619 851 1HA GLY 109 HA2 GLY 109 -10.326 10.560 6.566 852 2HA GLY 109 HA1 GLY 109 -8.633 10.900 6.916 853 H SER 110 HN SER 110 -10.537 10.646 3.946 854 HA SER 110 HA SER 110 -9.680 13.345 3.209 855 1HB SER 110 HB2 SER 110 -9.590 11.010 1.286 856 2HB SER 110 HB1 SER 110 -8.917 12.626 1.062 857 HG SER 110 HG SER 110 -7.184 12.052 2.108 Start of MODEL 14 1 HA MET 1 HA MET 1 -19.867 6.721 8.714 2 1HB MET 1 HB2 MET 1 -20.352 8.983 9.576 3 2HB MET 1 HB1 MET 1 -18.743 9.057 10.279 4 1HG MET 1 HG2 MET 1 -17.732 9.007 8.099 5 2HG MET 1 HG1 MET 1 -19.304 8.768 7.337 6 1HE MET 1 HE1 MET 1 -21.211 10.614 7.271 7 2HE MET 1 HE2 MET 1 -21.071 12.194 8.040 8 3HE MET 1 HE3 MET 1 -21.149 10.736 9.028 9 H SER 2 HN SER 2 -18.219 5.901 7.587 10 HA SER 2 HA SER 2 -15.560 5.796 8.851 11 1HB SER 2 HB2 SER 2 -16.958 3.502 7.464 12 2HB SER 2 HB1 SER 2 -15.305 3.476 8.081 13 HG SER 2 HG SER 2 -16.963 2.573 9.507 14 H GLN 3 HN GLN 3 -17.501 6.152 6.030 15 HA GLN 3 HA GLN 3 -17.067 6.894 3.940 16 1HB GLN 3 HB2 GLN 3 -14.401 7.691 5.120 17 2HB GLN 3 HB1 GLN 3 -15.041 8.249 3.580 18 1HG GLN 3 HG2 GLN 3 -16.205 8.777 6.307 19 2HG GLN 3 HG1 GLN 3 -15.361 9.932 5.276 20 1HE2 GLN 3 HE21 GLN 3 -16.401 10.788 3.493 21 2HE2 GLN 3 HE22 GLN 3 -18.110 10.644 3.266 22 H TRP 4 HN TRP 4 -16.721 4.180 4.280 23 HA TRP 4 HA TRP 4 -14.314 3.245 3.079 24 1HB TRP 4 HB2 TRP 4 -17.060 1.983 3.284 25 2HB TRP 4 HB1 TRP 4 -15.668 1.168 2.588 26 HD1 TRP 4 HD1 TRP 4 -17.325 1.941 5.863 27 HE1 TRP 4 HE1 TRP 4 -16.003 0.846 7.782 28 HE3 TRP 4 HE3 TRP 4 -13.134 0.581 3.272 29 HZ2 TRP 4 HZ2 TRP 4 -13.508 -0.424 8.140 30 HZ3 TRP 4 HZ3 TRP 4 -11.325 -0.569 4.479 31 HH2 TRP 4 HH2 TRP 4 -11.509 -1.061 6.863 32 H LYS 5 HN LYS 5 -13.764 4.006 1.099 33 HA LYS 5 HA LYS 5 -15.859 4.189 -0.944 34 1HB LYS 5 HB2 LYS 5 -14.262 6.097 -0.698 35 2HB LYS 5 HB1 LYS 5 -12.956 5.014 -1.168 36 1HG LYS 5 HG2 LYS 5 -14.332 4.574 -3.280 37 2HG LYS 5 HG1 LYS 5 -15.252 6.005 -2.818 38 1HD LYS 5 HD2 LYS 5 -13.158 7.308 -2.804 39 2HD LYS 5 HD1 LYS 5 -12.285 5.872 -3.344 40 1HE LYS 5 HE2 LYS 5 -14.469 7.330 -4.828 41 2HE LYS 5 HE1 LYS 5 -12.756 7.301 -5.236 42 1HZ LYS 5 HZ1 LYS 5 -12.951 4.908 -5.645 43 2HZ LYS 5 HZ2 LYS 5 -13.989 5.797 -6.641 44 3HZ LYS 5 HZ3 LYS 5 -14.607 4.972 -5.296 45 H ASP 6 HN ASP 6 -16.176 2.545 -2.283 46 HA ASP 6 HA ASP 6 -14.393 0.352 -2.531 47 1HB ASP 6 HB2 ASP 6 -15.870 -0.432 -4.289 48 2HB ASP 6 HB1 ASP 6 -16.846 0.206 -2.970 49 H ILE 7 HN ILE 7 -12.797 -0.029 -3.955 50 HA ILE 7 HA ILE 7 -12.079 2.163 -5.781 51 HB ILE 7 HB ILE 7 -10.376 -0.177 -4.901 52 1HG1 ILE 7 HG12 ILE 7 -10.904 1.215 -2.975 53 2HG1 ILE 7 HG11 ILE 7 -9.221 1.445 -3.438 54 1HG2 ILE 7 HG21 ILE 7 -9.642 2.388 -6.307 55 2HG2 ILE 7 HG22 ILE 7 -9.699 0.782 -7.033 56 3HG2 ILE 7 HG23 ILE 7 -8.513 1.142 -5.779 57 1HD1 ILE 7 HD11 ILE 7 -9.824 3.533 -4.556 58 2HD1 ILE 7 HD12 ILE 7 -10.249 3.549 -2.843 59 3HD1 ILE 7 HD13 ILE 7 -11.502 3.302 -4.061 60 H CYS 8 HN CYS 8 -11.617 -1.330 -5.743 61 HA CYS 8 HA CYS 8 -13.154 -1.754 -8.126 62 1HB CYS 8 HB2 CYS 8 -11.303 -2.723 -9.435 63 2HB CYS 8 HB1 CYS 8 -11.012 -1.019 -9.108 64 HG CYS 8 HG CYS 8 -9.428 -3.726 -7.782 65 H LYS 9 HN LYS 9 -12.506 -4.294 -8.743 66 HA LYS 9 HA LYS 9 -13.119 -5.670 -6.270 67 1HB LYS 9 HB2 LYS 9 -12.767 -6.802 -9.052 68 2HB LYS 9 HB1 LYS 9 -13.440 -7.648 -7.665 69 1HG LYS 9 HG2 LYS 9 -15.259 -5.945 -7.601 70 2HG LYS 9 HG1 LYS 9 -14.623 -5.293 -9.112 71 1HD LYS 9 HD2 LYS 9 -14.900 -7.569 -10.111 72 2HD LYS 9 HD1 LYS 9 -15.722 -8.056 -8.628 73 1HE LYS 9 HE2 LYS 9 -16.583 -5.883 -10.534 74 2HE LYS 9 HE1 LYS 9 -17.341 -7.462 -10.333 75 1HZ LYS 9 HZ1 LYS 9 -17.836 -6.823 -8.007 76 2HZ LYS 9 HZ2 LYS 9 -18.602 -5.836 -9.153 77 3HZ LYS 9 HZ3 LYS 9 -17.236 -5.266 -8.331 78 H ILE 10 HN ILE 10 -11.878 -7.375 -5.392 79 HA ILE 10 HA ILE 10 -9.071 -6.862 -5.469 80 HB ILE 10 HB ILE 10 -10.228 -7.605 -3.419 81 1HG1 ILE 10 HG12 ILE 10 -8.083 -9.542 -4.317 82 2HG1 ILE 10 HG11 ILE 10 -7.777 -7.910 -3.733 83 1HG2 ILE 10 HG21 ILE 10 -10.817 -9.970 -3.135 84 2HG2 ILE 10 HG22 ILE 10 -10.453 -10.259 -4.835 85 3HG2 ILE 10 HG23 ILE 10 -11.786 -9.194 -4.388 86 1HD1 ILE 10 HD11 ILE 10 -9.084 -10.099 -2.137 87 2HD1 ILE 10 HD12 ILE 10 -8.650 -8.486 -1.565 88 3HD1 ILE 10 HD13 ILE 10 -7.389 -9.626 -2.030 89 H ASP 11 HN ASP 11 -11.163 -8.872 -7.241 90 HA ASP 11 HA ASP 11 -9.407 -10.930 -8.035 91 1HB ASP 11 HB2 ASP 11 -11.797 -11.120 -8.396 92 2HB ASP 11 HB1 ASP 11 -11.792 -9.700 -9.435 93 H ASP 12 HN ASP 12 -9.840 -7.640 -9.041 94 HA ASP 12 HA ASP 12 -8.379 -7.756 -11.473 95 1HB ASP 12 HB2 ASP 12 -9.026 -5.452 -9.622 96 2HB ASP 12 HB1 ASP 12 -8.242 -5.258 -11.184 97 H ILE 13 HN ILE 13 -7.479 -7.606 -8.156 98 HA ILE 13 HA ILE 13 -4.725 -6.826 -8.837 99 HB ILE 13 HB ILE 13 -5.921 -7.049 -6.069 100 1HG1 ILE 13 HG12 ILE 13 -5.566 -4.547 -7.738 101 2HG1 ILE 13 HG11 ILE 13 -7.108 -5.351 -7.467 102 1HG2 ILE 13 HG21 ILE 13 -3.433 -5.689 -7.105 103 2HG2 ILE 13 HG22 ILE 13 -3.491 -7.173 -6.154 104 3HG2 ILE 13 HG23 ILE 13 -4.004 -5.645 -5.438 105 1HD1 ILE 13 HD11 ILE 13 -5.364 -4.109 -5.351 106 2HD1 ILE 13 HD12 ILE 13 -6.902 -4.925 -5.069 107 3HD1 ILE 13 HD13 ILE 13 -6.855 -3.434 -6.009 108 H LEU 14 HN LEU 14 -3.610 -8.588 -9.382 109 HA LEU 14 HA LEU 14 -4.073 -11.180 -8.292 110 1HB LEU 14 HB2 LEU 14 -1.673 -10.114 -9.791 111 2HB LEU 14 HB1 LEU 14 -2.025 -11.806 -9.498 112 HG LEU 14 HG LEU 14 -3.715 -9.947 -11.174 113 1HD1 LEU 14 HD11 LEU 14 -1.556 -10.422 -12.210 114 2HD1 LEU 14 HD12 LEU 14 -2.869 -11.221 -13.074 115 3HD1 LEU 14 HD13 LEU 14 -1.828 -12.151 -11.996 116 1HD2 LEU 14 HD21 LEU 14 -5.027 -11.712 -10.118 117 2HD2 LEU 14 HD22 LEU 14 -3.902 -12.926 -10.727 118 3HD2 LEU 14 HD23 LEU 14 -4.882 -11.987 -11.853 119 HA PRO 15 HA PRO 15 -1.519 -11.149 -4.629 120 1HB PRO 15 HB2 PRO 15 -0.242 -13.627 -5.659 121 2HB PRO 15 HB1 PRO 15 -1.062 -13.341 -4.120 122 1HG PRO 15 HG2 PRO 15 -2.234 -14.771 -6.038 123 2HG PRO 15 HG1 PRO 15 -3.172 -13.648 -5.036 124 1HD PRO 15 HD2 PRO 15 -2.180 -13.311 -7.842 125 2HD PRO 15 HD1 PRO 15 -3.735 -12.828 -7.129 126 H GLU 16 HN GLU 16 0.445 -10.364 -4.066 127 HA GLU 16 HA GLU 16 2.553 -9.544 -4.193 128 1HB GLU 16 HB2 GLU 16 2.792 -11.369 -6.594 129 2HB GLU 16 HB1 GLU 16 4.131 -10.467 -5.896 130 1HG GLU 16 HG2 GLU 16 2.500 -12.424 -4.307 131 2HG GLU 16 HG1 GLU 16 3.919 -12.900 -5.241 132 H THR 17 HN THR 17 0.207 -8.385 -5.628 133 HA THR 17 HA THR 17 1.691 -6.749 -7.585 134 HB THR 17 HB THR 17 -1.286 -7.260 -7.681 135 HG1 THR 17 HG1 THR 17 -0.384 -9.218 -8.129 136 1HG2 THR 17 HG21 THR 17 0.648 -6.169 -9.732 137 2HG2 THR 17 HG22 THR 17 -0.539 -5.231 -8.825 138 3HG2 THR 17 HG23 THR 17 -1.075 -6.444 -9.987 139 H GLY 18 HN GLY 18 1.444 -4.548 -7.517 140 1HA GLY 18 HA2 GLY 18 -0.314 -3.461 -5.407 141 2HA GLY 18 HA1 GLY 18 1.286 -2.805 -5.740 142 H VAL 19 HN VAL 19 -1.456 -1.606 -5.871 143 HA VAL 19 HA VAL 19 -1.270 -0.577 -8.620 144 HB VAL 19 HB VAL 19 -3.742 -0.531 -8.788 145 1HG1 VAL 19 HG11 VAL 19 -2.505 -2.330 -9.856 146 2HG1 VAL 19 HG12 VAL 19 -4.055 -2.918 -9.252 147 3HG1 VAL 19 HG13 VAL 19 -2.570 -3.278 -8.370 148 1HG2 VAL 19 HG21 VAL 19 -3.653 -2.220 -6.290 149 2HG2 VAL 19 HG22 VAL 19 -5.087 -1.909 -7.269 150 3HG2 VAL 19 HG23 VAL 19 -4.294 -0.582 -6.418 151 H CYS 20 HN CYS 20 -2.865 1.379 -8.822 152 HA CYS 20 HA CYS 20 -2.437 3.080 -6.453 153 1HB CYS 20 HB2 CYS 20 -1.220 3.835 -8.443 154 2HB CYS 20 HB1 CYS 20 -2.714 3.850 -9.371 155 HG CYS 20 HG CYS 20 -2.009 6.496 -8.842 156 H ALA 21 HN ALA 21 -4.110 4.299 -5.652 157 HA ALA 21 HA ALA 21 -6.718 4.148 -6.977 158 1HB ALA 21 HB1 ALA 21 -6.267 3.447 -4.076 159 2HB ALA 21 HB2 ALA 21 -6.665 2.306 -5.362 160 3HB ALA 21 HB3 ALA 21 -7.828 3.544 -4.891 161 H LEU 22 HN LEU 22 -8.252 5.733 -6.109 162 HA LEU 22 HA LEU 22 -6.880 8.032 -4.896 163 1HB LEU 22 HB2 LEU 22 -8.923 7.856 -7.058 164 2HB LEU 22 HB1 LEU 22 -8.952 9.252 -5.997 165 HG LEU 22 HG LEU 22 -6.570 8.391 -7.644 166 1HD1 LEU 22 HD11 LEU 22 -8.541 10.635 -8.064 167 2HD1 LEU 22 HD12 LEU 22 -8.392 9.183 -9.055 168 3HD1 LEU 22 HD13 LEU 22 -7.078 10.358 -9.009 169 1HD2 LEU 22 HD21 LEU 22 -5.964 9.565 -5.588 170 2HD2 LEU 22 HD22 LEU 22 -7.073 10.873 -6.004 171 3HD2 LEU 22 HD23 LEU 22 -5.656 10.566 -7.008 172 H LEU 23 HN LEU 23 -7.496 8.532 -2.932 173 HA LEU 23 HA LEU 23 -10.279 7.980 -2.145 174 1HB LEU 23 HB2 LEU 23 -8.606 6.482 -1.043 175 2HB LEU 23 HB1 LEU 23 -7.839 7.898 -0.357 176 HG LEU 23 HG LEU 23 -10.729 7.324 0.224 177 1HD1 LEU 23 HD11 LEU 23 -9.521 5.263 0.724 178 2HD1 LEU 23 HD12 LEU 23 -10.035 6.074 2.202 179 3HD1 LEU 23 HD13 LEU 23 -8.353 6.174 1.683 180 1HD2 LEU 23 HD21 LEU 23 -8.533 8.670 1.790 181 2HD2 LEU 23 HD22 LEU 23 -10.221 8.518 2.281 182 3HD2 LEU 23 HD23 LEU 23 -9.796 9.493 0.874 183 H GLY 24 HN GLY 24 -11.205 9.926 -2.309 184 1HA GLY 24 HA2 GLY 24 -11.690 12.124 -1.826 185 2HA GLY 24 HA1 GLY 24 -10.431 12.070 -0.599 186 H ASP 25 HN ASP 25 -8.503 12.976 -0.999 187 HA ASP 25 HA ASP 25 -7.940 13.837 -3.765 188 1HB ASP 25 HB2 ASP 25 -6.806 15.833 -2.853 189 2HB ASP 25 HB1 ASP 25 -8.513 15.801 -2.424 190 H GLU 26 HN GLU 26 -7.059 11.928 -1.237 191 HA GLU 26 HA GLU 26 -4.183 12.136 -1.646 192 1HB GLU 26 HB2 GLU 26 -5.899 10.649 0.337 193 2HB GLU 26 HB1 GLU 26 -4.161 10.394 0.217 194 1HG GLU 26 HG2 GLU 26 -3.660 12.503 1.003 195 2HG GLU 26 HG1 GLU 26 -5.233 13.156 0.556 196 H GLN 27 HN GLN 27 -3.073 10.799 -2.885 197 HA GLN 27 HA GLN 27 -4.399 8.618 -4.227 198 1HB GLN 27 HB2 GLN 27 -1.576 9.687 -4.371 199 2HB GLN 27 HB1 GLN 27 -2.146 8.321 -5.322 200 1HG GLN 27 HG2 GLN 27 -3.735 9.688 -6.464 201 2HG GLN 27 HG1 GLN 27 -3.401 11.051 -5.401 202 1HE2 GLN 27 HE21 GLN 27 -1.550 12.242 -5.686 203 2HE2 GLN 27 HE22 GLN 27 -0.578 12.138 -7.120 204 H VAL 28 HN VAL 28 -4.425 6.599 -3.581 205 HA VAL 28 HA VAL 28 -2.710 5.845 -1.307 206 HB VAL 28 HB VAL 28 -5.413 4.700 -2.043 207 1HG1 VAL 28 HG11 VAL 28 -4.015 3.145 -0.801 208 2HG1 VAL 28 HG12 VAL 28 -5.350 3.720 0.201 209 3HG1 VAL 28 HG13 VAL 28 -3.728 4.370 0.436 210 1HG2 VAL 28 HG21 VAL 28 -6.284 5.955 -0.123 211 2HG2 VAL 28 HG22 VAL 28 -5.652 7.023 -1.375 212 3HG2 VAL 28 HG23 VAL 28 -4.709 6.719 0.083 213 H ALA 29 HN ALA 29 -1.547 3.988 -1.412 214 HA ALA 29 HA ALA 29 -1.546 2.571 -3.984 215 1HB ALA 29 HB1 ALA 29 0.526 2.585 -1.785 216 2HB ALA 29 HB2 ALA 29 0.592 3.534 -3.270 217 3HB ALA 29 HB3 ALA 29 0.673 1.774 -3.345 218 H ILE 30 HN ILE 30 -2.632 0.733 -4.047 219 HA ILE 30 HA ILE 30 -3.113 -0.737 -1.555 220 HB ILE 30 HB ILE 30 -4.404 -1.121 -4.265 221 1HG1 ILE 30 HG12 ILE 30 -5.482 0.232 -1.779 222 2HG1 ILE 30 HG11 ILE 30 -4.966 1.057 -3.247 223 1HG2 ILE 30 HG21 ILE 30 -6.033 -2.489 -3.041 224 2HG2 ILE 30 HG22 ILE 30 -5.096 -2.270 -1.563 225 3HG2 ILE 30 HG23 ILE 30 -4.401 -3.151 -2.924 226 1HD1 ILE 30 HD11 ILE 30 -6.736 -0.063 -4.497 227 2HD1 ILE 30 HD12 ILE 30 -7.382 0.865 -3.144 228 3HD1 ILE 30 HD13 ILE 30 -7.249 -0.889 -3.025 229 H PHE 31 HN PHE 31 -1.742 -2.314 -1.121 230 HA PHE 31 HA PHE 31 -0.561 -3.819 -3.363 231 1HB PHE 31 HB2 PHE 31 0.480 -3.441 -0.546 232 2HB PHE 31 HB1 PHE 31 1.243 -4.435 -1.780 233 HD1 PHE 31 HD1 PHE 31 2.157 -3.332 -3.835 234 HD2 PHE 31 HD2 PHE 31 0.850 -1.126 -0.439 235 HE1 PHE 31 HE1 PHE 31 3.443 -1.382 -4.609 236 HE2 PHE 31 HE2 PHE 31 2.130 0.826 -1.210 237 HZ PHE 31 HZ PHE 31 3.429 0.700 -3.298 238 H ARG 32 HN ARG 32 -1.267 -5.841 -3.615 239 HA ARG 32 HA ARG 32 -2.286 -7.248 -1.230 240 1HB ARG 32 HB2 ARG 32 -3.969 -7.038 -3.024 241 2HB ARG 32 HB1 ARG 32 -2.863 -7.817 -4.149 242 1HG ARG 32 HG2 ARG 32 -2.896 -9.834 -2.705 243 2HG ARG 32 HG1 ARG 32 -4.125 -9.051 -1.711 244 1HD ARG 32 HD2 ARG 32 -5.593 -8.900 -3.677 245 2HD ARG 32 HD1 ARG 32 -4.365 -9.719 -4.644 246 HE ARG 32 HE ARG 32 -5.065 -11.244 -2.342 247 1HH1 ARG 32 HH11 ARG 32 -6.168 -10.396 -5.556 248 2HH1 ARG 32 HH12 ARG 32 -7.121 -11.834 -5.744 249 1HH2 ARG 32 HH21 ARG 32 -6.301 -13.147 -2.595 250 2HH2 ARG 32 HH22 ARG 32 -7.178 -13.417 -4.072 251 HA PRO 33 HA PRO 33 1.478 -9.539 -2.196 252 1HB PRO 33 HB2 PRO 33 2.215 -9.970 0.374 253 2HB PRO 33 HB1 PRO 33 2.533 -8.459 -0.480 254 1HG PRO 33 HG2 PRO 33 0.610 -9.022 1.670 255 2HG PRO 33 HG1 PRO 33 1.287 -7.474 1.143 256 1HD PRO 33 HD2 PRO 33 -1.286 -8.594 0.522 257 2HD PRO 33 HD1 PRO 33 -0.615 -7.034 0.009 258 H TYR 34 HN TYR 34 -1.048 -10.448 0.114 259 HA TYR 34 HA TYR 34 -0.193 -13.226 0.028 260 1HB TYR 34 HB2 TYR 34 -2.333 -11.817 1.629 261 2HB TYR 34 HB1 TYR 34 -2.072 -13.558 1.682 262 HD1 TYR 34 HD1 TYR 34 -1.487 -10.692 3.439 263 HD2 TYR 34 HD2 TYR 34 0.628 -14.081 1.976 264 HE1 TYR 34 HE1 TYR 34 0.208 -10.387 5.193 265 HE2 TYR 34 HE2 TYR 34 2.323 -13.789 3.724 266 HH TYR 34 HH TYR 34 1.887 -11.909 6.413 267 H HIS 35 HN HIS 35 -1.968 -14.887 -0.122 268 HA HIS 35 HA HIS 35 -3.337 -14.454 -2.644 269 1HB HIS 35 HB2 HIS 35 -1.992 -16.551 -1.974 270 2HB HIS 35 HB1 HIS 35 -3.389 -16.979 -0.994 271 HD1 HIS 35 HD1 HIS 35 -2.144 -16.884 -4.475 272 HD2 HIS 35 HD2 HIS 35 -5.705 -17.690 -2.484 273 HE1 HIS 35 HE1 HIS 35 -3.640 -17.978 -6.175 274 HE2 HIS 35 HE2 HIS 35 -5.669 -18.701 -4.867 275 H SER 36 HN SER 36 -4.007 -14.415 0.693 276 HA SER 36 HA SER 36 -6.797 -14.972 0.597 277 1HB SER 36 HB2 SER 36 -5.319 -13.312 2.650 278 2HB SER 36 HB1 SER 36 -6.832 -14.191 2.871 279 HG SER 36 HG SER 36 -5.482 -16.119 2.296 280 H ASP 37 HN ASP 37 -8.097 -12.917 1.817 281 HA ASP 37 HA ASP 37 -8.230 -10.971 -0.340 282 1HB ASP 37 HB2 ASP 37 -10.358 -10.342 0.534 283 2HB ASP 37 HB1 ASP 37 -10.282 -12.098 0.627 284 H GLN 38 HN GLN 38 -6.337 -11.178 2.217 285 HA GLN 38 HA GLN 38 -6.772 -8.629 3.462 286 1HB GLN 38 HB2 GLN 38 -5.844 -10.590 4.681 287 2HB GLN 38 HB1 GLN 38 -4.393 -10.477 3.697 288 1HG GLN 38 HG2 GLN 38 -4.111 -9.485 5.920 289 2HG GLN 38 HG1 GLN 38 -3.876 -8.315 4.624 290 1HE2 GLN 38 HE21 GLN 38 -5.276 -6.603 4.426 291 2HE2 GLN 38 HE22 GLN 38 -6.485 -6.229 5.604 292 H VAL 39 HN VAL 39 -6.369 -6.849 2.380 293 HA VAL 39 HA VAL 39 -3.891 -6.662 0.797 294 HB VAL 39 HB VAL 39 -4.969 -4.850 -0.486 295 1HG1 VAL 39 HG11 VAL 39 -6.547 -7.420 -0.467 296 2HG1 VAL 39 HG12 VAL 39 -5.057 -7.114 -1.361 297 3HG1 VAL 39 HG13 VAL 39 -6.530 -6.235 -1.773 298 1HG2 VAL 39 HG21 VAL 39 -7.382 -4.461 -0.296 299 2HG2 VAL 39 HG22 VAL 39 -6.543 -4.067 1.205 300 3HG2 VAL 39 HG23 VAL 39 -7.453 -5.573 1.072 301 H PHE 40 HN PHE 40 -2.877 -4.491 0.840 302 HA PHE 40 HA PHE 40 -3.471 -3.071 3.344 303 1HB PHE 40 HB2 PHE 40 -0.738 -3.813 2.281 304 2HB PHE 40 HB1 PHE 40 -1.024 -2.764 3.664 305 HD1 PHE 40 HD1 PHE 40 -1.214 -6.212 2.415 306 HD2 PHE 40 HD2 PHE 40 -1.710 -3.658 5.782 307 HE1 PHE 40 HE1 PHE 40 -1.265 -8.178 3.893 308 HE2 PHE 40 HE2 PHE 40 -1.771 -5.619 7.266 309 HZ PHE 40 HZ PHE 40 -1.548 -7.883 6.322 310 H ALA 41 HN ALA 41 -3.498 -0.903 3.224 311 HA ALA 41 HA ALA 41 -2.777 0.293 0.635 312 1HB ALA 41 HB1 ALA 41 -5.204 0.105 0.891 313 2HB ALA 41 HB2 ALA 41 -4.685 1.789 0.861 314 3HB ALA 41 HB3 ALA 41 -5.117 1.028 2.391 315 H ILE 42 HN ILE 42 -1.216 1.718 0.804 316 HA ILE 42 HA ILE 42 -1.074 3.394 3.224 317 HB ILE 42 HB ILE 42 1.397 3.522 2.875 318 1HG1 ILE 42 HG12 ILE 42 0.957 1.164 1.028 319 2HG1 ILE 42 HG11 ILE 42 1.380 2.787 0.491 320 1HG2 ILE 42 HG21 ILE 42 0.458 2.088 4.588 321 2HG2 ILE 42 HG22 ILE 42 1.884 1.335 3.874 322 3HG2 ILE 42 HG23 ILE 42 0.272 0.780 3.419 323 1HD1 ILE 42 HD11 ILE 42 3.318 1.318 0.539 324 2HD1 ILE 42 HD12 ILE 42 3.061 1.020 2.257 325 3HD1 ILE 42 HD13 ILE 42 3.492 2.635 1.697 326 H SER 43 HN SER 43 0.371 5.414 2.676 327 HA SER 43 HA SER 43 -0.888 6.852 0.610 328 1HB SER 43 HB2 SER 43 0.237 7.848 2.640 329 2HB SER 43 HB1 SER 43 1.787 7.507 1.871 330 HG SER 43 HG SER 43 -0.233 9.308 1.068 331 H ASN 44 HN ASN 44 -0.369 7.178 -1.491 332 HA ASN 44 HA ASN 44 1.593 5.341 -2.618 333 1HB ASN 44 HB2 ASN 44 -0.779 5.593 -3.488 334 2HB ASN 44 HB1 ASN 44 -0.305 7.175 -4.092 335 1HD2 ASN 44 HD21 ASN 44 -0.627 6.680 -6.211 336 2HD2 ASN 44 HD22 ASN 44 0.375 5.587 -7.091 337 H ILE 45 HN ILE 45 1.676 8.407 -1.473 338 HA ILE 45 HA ILE 45 3.286 9.535 -3.636 339 HB ILE 45 HB ILE 45 2.244 10.852 -1.124 340 1HG1 ILE 45 HG12 ILE 45 0.430 10.211 -2.643 341 2HG1 ILE 45 HG11 ILE 45 0.632 11.960 -2.616 342 1HG2 ILE 45 HG21 ILE 45 2.862 12.958 -2.218 343 2HG2 ILE 45 HG22 ILE 45 3.566 12.052 -3.555 344 3HG2 ILE 45 HG23 ILE 45 4.265 11.927 -1.942 345 1HD1 ILE 45 HD11 ILE 45 0.227 11.155 -4.864 346 2HD1 ILE 45 HD12 ILE 45 1.634 10.097 -4.756 347 3HD1 ILE 45 HD13 ILE 45 1.843 11.848 -4.731 348 H ASP 46 HN ASP 46 5.409 9.503 -3.558 349 HA ASP 46 HA ASP 46 6.805 8.905 -1.071 350 1HB ASP 46 HB2 ASP 46 7.713 7.705 -2.892 351 2HB ASP 46 HB1 ASP 46 7.668 9.111 -3.953 352 HA PRO 47 HA PRO 47 7.478 13.264 -0.530 353 1HB PRO 47 HB2 PRO 47 8.700 12.800 1.986 354 2HB PRO 47 HB1 PRO 47 7.013 13.205 1.675 355 1HG PRO 47 HG2 PRO 47 7.943 10.780 2.692 356 2HG PRO 47 HG1 PRO 47 6.339 11.064 1.997 357 1HD PRO 47 HD2 PRO 47 8.758 9.833 0.753 358 2HD PRO 47 HD1 PRO 47 7.041 9.434 0.526 359 H PHE 48 HN PHE 48 9.911 10.932 -0.912 360 HA PHE 48 HA PHE 48 12.109 12.659 -0.132 361 1HB PHE 48 HB2 PHE 48 11.995 10.099 0.163 362 2HB PHE 48 HB1 PHE 48 12.392 10.019 -1.550 363 HD1 PHE 48 HD1 PHE 48 14.607 10.322 -2.298 364 HD2 PHE 48 HD2 PHE 48 13.587 11.210 1.736 365 HE1 PHE 48 HE1 PHE 48 16.995 10.535 -1.744 366 HE2 PHE 48 HE2 PHE 48 15.972 11.427 2.298 367 HZ PHE 48 HZ PHE 48 17.680 11.088 0.555 368 H PHE 49 HN PHE 49 11.032 11.074 -3.143 369 HA PHE 49 HA PHE 49 12.578 13.072 -4.669 370 1HB PHE 49 HB2 PHE 49 11.409 10.408 -5.502 371 2HB PHE 49 HB1 PHE 49 12.179 11.537 -6.612 372 HD1 PHE 49 HD1 PHE 49 14.584 11.971 -6.464 373 HD2 PHE 49 HD2 PHE 49 12.682 9.035 -4.046 374 HE1 PHE 49 HE1 PHE 49 16.774 10.960 -5.978 375 HE2 PHE 49 HE2 PHE 49 14.862 8.021 -3.552 376 HZ PHE 49 HZ PHE 49 16.914 8.985 -4.520 377 H GLU 50 HN GLU 50 9.609 12.614 -3.446 378 HA GLU 50 HA GLU 50 7.540 13.436 -3.826 379 1HB GLU 50 HB2 GLU 50 8.989 15.182 -5.823 380 2HB GLU 50 HB1 GLU 50 7.322 15.415 -5.314 381 1HG GLU 50 HG2 GLU 50 8.043 15.799 -3.034 382 2HG GLU 50 HG1 GLU 50 9.717 15.497 -3.493 383 H SER 51 HN SER 51 7.568 11.129 -4.743 384 HA SER 51 HA SER 51 6.966 11.102 -7.616 385 1HB SER 51 HB2 SER 51 8.681 9.504 -6.869 386 2HB SER 51 HB1 SER 51 7.549 8.819 -5.705 387 HG SER 51 HG SER 51 7.118 7.511 -7.303 388 H SER 52 HN SER 52 5.022 10.291 -8.373 389 HA SER 52 HA SER 52 2.834 10.686 -6.554 390 1HB SER 52 HB2 SER 52 1.503 10.228 -8.719 391 2HB SER 52 HB1 SER 52 2.494 11.685 -8.640 392 HG SER 52 HG SER 52 2.785 10.532 -10.602 393 H VAL 53 HN VAL 53 4.499 7.952 -7.903 394 HA VAL 53 HA VAL 53 2.446 6.237 -6.684 395 HB VAL 53 HB VAL 53 2.943 4.507 -8.435 396 1HG1 VAL 53 HG11 VAL 53 1.767 7.112 -9.390 397 2HG1 VAL 53 HG12 VAL 53 0.914 5.835 -8.524 398 3HG1 VAL 53 HG13 VAL 53 1.527 5.539 -10.151 399 1HG2 VAL 53 HG21 VAL 53 5.079 5.373 -9.232 400 2HG2 VAL 53 HG22 VAL 53 4.277 6.824 -9.838 401 3HG2 VAL 53 HG23 VAL 53 3.919 5.252 -10.556 402 H LEU 54 HN LEU 54 3.211 5.113 -5.067 403 HA LEU 54 HA LEU 54 5.981 4.201 -5.021 404 1HB LEU 54 HB2 LEU 54 3.720 3.991 -3.038 405 2HB LEU 54 HB1 LEU 54 5.255 3.174 -2.813 406 HG LEU 54 HG LEU 54 4.866 6.162 -3.012 407 1HD1 LEU 54 HD11 LEU 54 5.510 6.161 -0.654 408 2HD1 LEU 54 HD12 LEU 54 5.556 4.398 -0.668 409 3HD1 LEU 54 HD13 LEU 54 4.029 5.243 -0.920 410 1HD2 LEU 54 HD21 LEU 54 7.004 5.443 -3.945 411 2HD2 LEU 54 HD22 LEU 54 7.348 4.534 -2.474 412 3HD2 LEU 54 HD23 LEU 54 7.229 6.293 -2.417 413 H SER 55 HN SER 55 3.003 3.211 -6.168 414 HA SER 55 HA SER 55 3.115 0.417 -5.662 415 1HB SER 55 HB2 SER 55 1.408 0.472 -7.657 416 2HB SER 55 HB1 SER 55 0.968 1.156 -6.093 417 HG SER 55 HG SER 55 0.853 3.054 -6.979 418 H ARG 56 HN ARG 56 5.073 2.254 -7.534 419 HA ARG 56 HA ARG 56 5.416 0.301 -9.678 420 1HB ARG 56 HB2 ARG 56 5.430 2.838 -10.027 421 2HB ARG 56 HB1 ARG 56 6.998 2.835 -9.234 422 1HG ARG 56 HG2 ARG 56 7.881 1.365 -10.973 423 2HG ARG 56 HG1 ARG 56 6.305 1.356 -11.767 424 1HD ARG 56 HD2 ARG 56 6.461 3.808 -12.015 425 2HD ARG 56 HD1 ARG 56 8.074 3.754 -11.308 426 HE ARG 56 HE ARG 56 8.165 2.003 -13.428 427 1HH1 ARG 56 HH11 ARG 56 7.415 5.391 -12.995 428 2HH1 ARG 56 HH12 ARG 56 7.933 5.859 -14.585 429 1HH2 ARG 56 HH21 ARG 56 8.860 2.601 -15.538 430 2HH2 ARG 56 HH22 ARG 56 8.748 4.270 -16.038 431 H GLY 57 HN GLY 57 5.935 -0.673 -7.145 432 1HA GLY 57 HA2 GLY 57 8.859 -1.004 -7.183 433 2HA GLY 57 HA1 GLY 57 8.034 -0.629 -5.677 434 H LEU 58 HN LEU 58 9.551 -2.884 -5.814 435 HA LEU 58 HA LEU 58 7.739 -5.095 -6.471 436 1HB LEU 58 HB2 LEU 58 10.714 -5.054 -5.958 437 2HB LEU 58 HB1 LEU 58 9.789 -6.519 -6.211 438 HG LEU 58 HG LEU 58 10.830 -6.072 -8.265 439 1HD1 LEU 58 HD11 LEU 58 8.504 -6.695 -8.510 440 2HD1 LEU 58 HD12 LEU 58 8.991 -5.594 -9.798 441 3HD1 LEU 58 HD13 LEU 58 8.023 -5.000 -8.450 442 1HD2 LEU 58 HD21 LEU 58 9.871 -3.221 -8.050 443 2HD2 LEU 58 HD22 LEU 58 10.739 -3.915 -9.420 444 3HD2 LEU 58 HD23 LEU 58 11.531 -3.783 -7.849 445 H ILE 59 HN ILE 59 7.183 -6.664 -4.991 446 HA ILE 59 HA ILE 59 7.483 -5.933 -2.188 447 HB ILE 59 HB ILE 59 5.886 -8.167 -3.463 448 1HG1 ILE 59 HG12 ILE 59 4.993 -5.491 -2.363 449 2HG1 ILE 59 HG11 ILE 59 5.099 -5.904 -4.071 450 1HG2 ILE 59 HG21 ILE 59 6.479 -8.702 -1.170 451 2HG2 ILE 59 HG22 ILE 59 4.760 -8.324 -1.282 452 3HG2 ILE 59 HG23 ILE 59 5.884 -7.132 -0.630 453 1HD1 ILE 59 HD11 ILE 59 3.274 -7.193 -2.054 454 2HD1 ILE 59 HD12 ILE 59 3.379 -7.608 -3.765 455 3HD1 ILE 59 HD13 ILE 59 2.808 -6.012 -3.278 456 H ALA 60 HN ALA 60 8.868 -6.892 -0.838 457 HA ALA 60 HA ALA 60 9.950 -9.530 -1.466 458 1HB ALA 60 HB1 ALA 60 11.501 -7.957 -2.529 459 2HB ALA 60 HB2 ALA 60 12.259 -8.804 -1.181 460 3HB ALA 60 HB3 ALA 60 11.722 -7.135 -0.984 461 H GLU 61 HN GLU 61 10.488 -10.701 0.333 462 HA GLU 61 HA GLU 61 9.597 -9.575 2.868 463 1HB GLU 61 HB2 GLU 61 8.830 -11.823 2.112 464 2HB GLU 61 HB1 GLU 61 10.492 -12.390 2.217 465 1HG GLU 61 HG2 GLU 61 10.390 -11.646 4.665 466 2HG GLU 61 HG1 GLU 61 8.645 -11.577 4.430 467 H HIS 62 HN HIS 62 10.922 -9.036 4.512 468 HA HIS 62 HA HIS 62 13.788 -9.462 4.219 469 1HB HIS 62 HB2 HIS 62 12.901 -7.268 5.049 470 2HB HIS 62 HB1 HIS 62 12.285 -8.095 6.473 471 HD1 HIS 62 HD1 HIS 62 15.300 -6.492 5.105 472 HD2 HIS 62 HD2 HIS 62 14.372 -9.103 8.214 473 HE1 HIS 62 HE1 HIS 62 17.292 -6.466 6.636 474 HE2 HIS 62 HE2 HIS 62 16.780 -8.174 8.419 475 H GLN 63 HN GLN 63 11.616 -9.823 7.012 476 HA GLN 63 HA GLN 63 12.244 -12.643 7.237 477 1HB GLN 63 HB2 GLN 63 12.949 -10.662 9.410 478 2HB GLN 63 HB1 GLN 63 12.788 -12.388 9.692 479 1HG GLN 63 HG2 GLN 63 14.588 -12.779 8.044 480 2HG GLN 63 HG1 GLN 63 14.791 -11.034 7.906 481 1HE2 GLN 63 HE21 GLN 63 15.213 -13.816 9.921 482 2HE2 GLN 63 HE22 GLN 63 16.260 -13.078 11.087 483 H GLY 64 HN GLY 64 10.099 -13.148 6.971 484 1HA GLY 64 HA2 GLY 64 8.053 -13.744 7.901 485 2HA GLY 64 HA1 GLY 64 8.432 -12.763 9.308 486 H GLU 65 HN GLU 65 8.835 -10.303 8.212 487 HA GLU 65 HA GLU 65 6.125 -9.558 7.483 488 1HB GLU 65 HB2 GLU 65 8.496 -7.732 7.899 489 2HB GLU 65 HB1 GLU 65 6.795 -7.295 7.939 490 1HG GLU 65 HG2 GLU 65 8.230 -9.031 9.935 491 2HG GLU 65 HG1 GLU 65 7.746 -7.353 10.167 492 H LEU 66 HN LEU 66 5.516 -8.746 5.539 493 HA LEU 66 HA LEU 66 7.411 -8.970 3.349 494 1HB LEU 66 HB2 LEU 66 4.463 -8.309 3.342 495 2HB LEU 66 HB1 LEU 66 5.444 -8.585 1.914 496 HG LEU 66 HG LEU 66 4.836 -10.636 4.050 497 1HD1 LEU 66 HD11 LEU 66 3.499 -11.714 2.322 498 2HD1 LEU 66 HD12 LEU 66 3.845 -10.383 1.216 499 3HD1 LEU 66 HD13 LEU 66 2.897 -10.095 2.675 500 1HD2 LEU 66 HD21 LEU 66 5.887 -12.224 2.516 501 2HD2 LEU 66 HD22 LEU 66 7.028 -10.992 3.056 502 3HD2 LEU 66 HD23 LEU 66 6.325 -10.897 1.441 503 H TRP 67 HN TRP 67 8.326 -7.313 2.307 504 HA TRP 67 HA TRP 67 7.546 -4.590 3.127 505 1HB TRP 67 HB2 TRP 67 10.309 -5.644 2.464 506 2HB TRP 67 HB1 TRP 67 9.929 -3.965 2.817 507 HD1 TRP 67 HD1 TRP 67 9.555 -7.382 4.638 508 HE1 TRP 67 HE1 TRP 67 10.080 -7.012 7.128 509 HE3 TRP 67 HE3 TRP 67 10.412 -2.345 4.550 510 HZ2 TRP 67 HZ2 TRP 67 10.779 -4.872 8.830 511 HZ3 TRP 67 HZ3 TRP 67 11.010 -1.216 6.649 512 HH2 TRP 67 HH2 TRP 67 11.189 -2.454 8.745 513 H VAL 68 HN VAL 68 7.948 -2.918 1.512 514 HA VAL 68 HA VAL 68 7.999 -3.984 -1.235 515 HB VAL 68 HB VAL 68 5.838 -2.950 -0.707 516 1HG1 VAL 68 HG11 VAL 68 6.530 -1.375 1.005 517 2HG1 VAL 68 HG12 VAL 68 5.658 -0.545 -0.284 518 3HG1 VAL 68 HG13 VAL 68 7.416 -0.433 -0.195 519 1HG2 VAL 68 HG21 VAL 68 7.500 -1.335 -2.636 520 2HG2 VAL 68 HG22 VAL 68 5.737 -1.362 -2.582 521 3HG2 VAL 68 HG23 VAL 68 6.630 -2.828 -2.991 522 H ALA 69 HN ALA 69 9.486 -3.192 -2.629 523 HA ALA 69 HA ALA 69 11.418 -1.279 -1.497 524 1HB ALA 69 HB1 ALA 69 12.307 -3.532 -1.871 525 2HB ALA 69 HB2 ALA 69 13.100 -2.338 -2.900 526 3HB ALA 69 HB3 ALA 69 11.879 -3.413 -3.578 527 H SER 70 HN SER 70 11.310 0.659 -2.328 528 HA SER 70 HA SER 70 10.201 1.144 -4.961 529 1HB SER 70 HB2 SER 70 9.616 2.681 -3.165 530 2HB SER 70 HB1 SER 70 11.319 3.021 -2.859 531 HG SER 70 HG SER 70 10.482 4.663 -4.121 532 HA PRO 71 HA PRO 71 14.243 0.868 -6.804 533 1HB PRO 71 HB2 PRO 71 12.993 1.704 -9.291 534 2HB PRO 71 HB1 PRO 71 13.640 0.123 -8.852 535 1HG PRO 71 HG2 PRO 71 10.986 0.591 -9.191 536 2HG PRO 71 HG1 PRO 71 11.618 -0.635 -8.078 537 1HD PRO 71 HD2 PRO 71 10.617 2.127 -7.484 538 2HD PRO 71 HD1 PRO 71 10.335 0.611 -6.598 539 H LEU 72 HN LEU 72 12.639 3.643 -6.100 540 HA LEU 72 HA LEU 72 13.847 5.541 -7.814 541 1HB LEU 72 HB2 LEU 72 12.813 5.863 -4.996 542 2HB LEU 72 HB1 LEU 72 13.263 7.187 -6.052 543 HG LEU 72 HG LEU 72 11.018 5.232 -6.552 544 1HD1 LEU 72 HD11 LEU 72 10.980 8.135 -5.737 545 2HD1 LEU 72 HD12 LEU 72 10.530 6.761 -4.727 546 3HD1 LEU 72 HD13 LEU 72 9.568 7.162 -6.150 547 1HD2 LEU 72 HD21 LEU 72 11.864 7.684 -8.093 548 2HD2 LEU 72 HD22 LEU 72 10.436 6.700 -8.416 549 3HD2 LEU 72 HD23 LEU 72 12.045 6.013 -8.626 550 H LYS 73 HN LYS 73 14.649 4.661 -4.450 551 HA LYS 73 HA LYS 73 17.483 4.970 -5.084 552 1HB LYS 73 HB2 LYS 73 16.339 7.128 -4.066 553 2HB LYS 73 HB1 LYS 73 16.508 6.241 -2.558 554 1HG LYS 73 HG2 LYS 73 18.383 7.746 -2.896 555 2HG LYS 73 HG1 LYS 73 18.920 6.065 -2.936 556 1HD LYS 73 HD2 LYS 73 18.980 6.100 -5.350 557 2HD LYS 73 HD1 LYS 73 18.311 7.732 -5.373 558 1HE LYS 73 HE2 LYS 73 20.309 8.570 -4.248 559 2HE LYS 73 HE1 LYS 73 20.973 6.936 -4.201 560 1HZ LYS 73 HZ1 LYS 73 20.290 8.414 -6.687 561 2HZ LYS 73 HZ2 LYS 73 21.030 6.892 -6.591 562 3HZ LYS 73 HZ3 LYS 73 21.854 8.270 -6.051 563 H LYS 74 HN LYS 74 15.623 2.792 -4.478 564 HA LYS 74 HA LYS 74 15.562 0.840 -3.341 565 1HB LYS 74 HB2 LYS 74 18.042 0.955 -3.705 566 2HB LYS 74 HB1 LYS 74 18.192 1.698 -2.120 567 1HG LYS 74 HG2 LYS 74 17.312 -0.306 -1.069 568 2HG LYS 74 HG1 LYS 74 17.083 -1.053 -2.654 569 1HD LYS 74 HD2 LYS 74 19.143 -1.835 -1.562 570 2HD LYS 74 HD1 LYS 74 19.484 -0.967 -3.061 571 1HE LYS 74 HE2 LYS 74 19.915 1.073 -1.702 572 2HE LYS 74 HE1 LYS 74 19.728 0.092 -0.249 573 1HZ LYS 74 HZ1 LYS 74 21.766 -0.333 -2.371 574 2HZ LYS 74 HZ2 LYS 74 21.599 -1.259 -0.959 575 3HZ LYS 74 HZ3 LYS 74 22.046 0.375 -0.855 576 H GLN 75 HN GLN 75 13.846 2.331 -2.354 577 HA GLN 75 HA GLN 75 14.261 2.743 0.527 578 1HB GLN 75 HB2 GLN 75 11.921 3.527 -1.229 579 2HB GLN 75 HB1 GLN 75 12.168 4.000 0.445 580 1HG GLN 75 HG2 GLN 75 13.849 5.494 -0.090 581 2HG GLN 75 HG1 GLN 75 14.181 4.719 -1.639 582 1HE2 GLN 75 HE21 GLN 75 12.061 6.874 0.087 583 2HE2 GLN 75 HE22 GLN 75 11.256 7.531 -1.302 584 H ARG 76 HN ARG 76 13.317 1.354 1.995 585 HA ARG 76 HA ARG 76 11.413 -0.576 0.846 586 1HB ARG 76 HB2 ARG 76 13.639 -1.547 1.391 587 2HB ARG 76 HB1 ARG 76 13.368 -1.126 3.077 588 1HG ARG 76 HG2 ARG 76 11.553 -2.637 3.253 589 2HG ARG 76 HG1 ARG 76 11.513 -2.893 1.509 590 1HD ARG 76 HD2 ARG 76 13.795 -3.664 3.321 591 2HD ARG 76 HD1 ARG 76 12.547 -4.766 2.738 592 HE ARG 76 HE ARG 76 14.294 -3.319 0.858 593 1HH1 ARG 76 HH11 ARG 76 12.983 -6.297 2.118 594 2HH1 ARG 76 HH12 ARG 76 13.708 -7.299 0.897 595 1HH2 ARG 76 HH21 ARG 76 15.233 -4.603 -0.775 596 2HH2 ARG 76 HH22 ARG 76 14.976 -6.323 -0.771 597 H PHE 77 HN PHE 77 9.476 -0.567 1.657 598 HA PHE 77 HA PHE 77 9.034 0.542 4.356 599 1HB PHE 77 HB2 PHE 77 7.164 0.514 1.974 600 2HB PHE 77 HB1 PHE 77 6.748 1.109 3.576 601 HD1 PHE 77 HD1 PHE 77 8.722 1.746 0.548 602 HD2 PHE 77 HD2 PHE 77 7.501 3.245 4.340 603 HE1 PHE 77 HE1 PHE 77 9.537 3.981 -0.077 604 HE2 PHE 77 HE2 PHE 77 8.314 5.485 3.720 605 HZ PHE 77 HZ PHE 77 9.334 5.855 1.510 606 H ARG 78 HN ARG 78 7.503 -0.510 5.688 607 HA ARG 78 HA ARG 78 7.247 -3.363 5.087 608 1HB ARG 78 HB2 ARG 78 8.233 -2.675 7.255 609 2HB ARG 78 HB1 ARG 78 6.725 -1.872 7.671 610 1HG ARG 78 HG2 ARG 78 5.557 -3.951 7.750 611 2HG ARG 78 HG1 ARG 78 6.945 -4.814 7.086 612 1HD ARG 78 HD2 ARG 78 6.814 -5.193 9.467 613 2HD ARG 78 HD1 ARG 78 8.240 -4.227 9.098 614 HE ARG 78 HE ARG 78 5.845 -2.767 9.891 615 1HH1 ARG 78 HH11 ARG 78 8.935 -4.119 10.838 616 2HH1 ARG 78 HH12 ARG 78 9.062 -3.153 12.276 617 1HH2 ARG 78 HH21 ARG 78 6.004 -1.522 11.819 618 2HH2 ARG 78 HH22 ARG 78 7.406 -1.697 12.831 619 H LEU 79 HN LEU 79 5.397 -4.215 4.419 620 HA LEU 79 HA LEU 79 3.137 -2.509 3.971 621 1HB LEU 79 HB2 LEU 79 3.585 -5.445 3.464 622 2HB LEU 79 HB1 LEU 79 2.125 -4.590 3.003 623 HG LEU 79 HG LEU 79 4.895 -3.945 1.987 624 1HD1 LEU 79 HD11 LEU 79 4.125 -4.907 -0.120 625 2HD1 LEU 79 HD12 LEU 79 2.597 -5.361 0.639 626 3HD1 LEU 79 HD13 LEU 79 4.104 -6.108 1.172 627 1HD2 LEU 79 HD21 LEU 79 3.703 -2.528 0.384 628 2HD2 LEU 79 HD22 LEU 79 3.422 -2.005 2.044 629 3HD2 LEU 79 HD23 LEU 79 2.177 -2.910 1.183 630 H SER 80 HN SER 80 4.072 -4.339 6.614 631 HA SER 80 HA SER 80 1.714 -5.509 7.521 632 1HB SER 80 HB2 SER 80 3.802 -4.224 9.285 633 2HB SER 80 HB1 SER 80 2.768 -5.603 9.663 634 HG SER 80 HG SER 80 3.878 -6.821 8.125 635 H ASP 81 HN ASP 81 2.788 -2.186 7.621 636 HA ASP 81 HA ASP 81 0.099 -1.361 8.374 637 1HB ASP 81 HB2 ASP 81 1.201 -1.425 10.538 638 2HB ASP 81 HB1 ASP 81 2.564 -0.505 9.910 639 H GLY 82 HN GLY 82 3.264 0.208 8.167 640 1HA GLY 82 HA2 GLY 82 3.198 1.251 5.639 641 2HA GLY 82 HA1 GLY 82 2.227 2.366 6.598 642 H LEU 83 HN LEU 83 5.090 0.506 7.455 643 HA LEU 83 HA LEU 83 6.279 2.974 8.498 644 1HB LEU 83 HB2 LEU 83 5.882 0.997 10.018 645 2HB LEU 83 HB1 LEU 83 7.077 0.123 9.079 646 HG LEU 83 HG LEU 83 8.563 2.237 9.686 647 1HD1 LEU 83 HD11 LEU 83 6.639 2.056 11.997 648 2HD1 LEU 83 HD12 LEU 83 6.746 3.391 10.849 649 3HD1 LEU 83 HD13 LEU 83 8.099 3.043 11.923 650 1HD2 LEU 83 HD21 LEU 83 9.143 -0.059 10.182 651 2HD2 LEU 83 HD22 LEU 83 8.005 -0.077 11.531 652 3HD2 LEU 83 HD23 LEU 83 9.431 0.959 11.596 653 H CYS 84 HN CYS 84 8.410 3.519 8.012 654 HA CYS 84 HA CYS 84 9.556 2.151 5.686 655 1HB CYS 84 HB2 CYS 84 9.369 4.624 5.623 656 2HB CYS 84 HB1 CYS 84 10.409 4.722 7.038 657 HG CYS 84 HG CYS 84 11.827 5.454 4.706 658 H MET 85 HN MET 85 11.734 1.389 5.741 659 HA MET 85 HA MET 85 12.304 -0.119 8.022 660 1HB MET 85 HB2 MET 85 13.081 -0.381 5.545 661 2HB MET 85 HB1 MET 85 14.442 0.610 6.050 662 1HG MET 85 HG2 MET 85 13.652 -1.944 7.421 663 2HG MET 85 HG1 MET 85 14.815 -1.865 6.101 664 1HE MET 85 HE1 MET 85 15.485 -3.195 8.881 665 2HE MET 85 HE2 MET 85 17.095 -2.547 9.188 666 3HE MET 85 HE3 MET 85 16.649 -3.063 7.562 667 H GLU 86 HN GLU 86 14.263 2.592 6.748 668 HA GLU 86 HA GLU 86 15.564 2.849 9.335 669 1HB GLU 86 HB2 GLU 86 16.809 2.989 7.162 670 2HB GLU 86 HB1 GLU 86 15.970 4.498 6.836 671 1HG GLU 86 HG2 GLU 86 16.954 5.424 8.922 672 2HG GLU 86 HG1 GLU 86 17.893 3.938 9.078 673 H ASP 87 HN ASP 87 13.201 4.480 7.385 674 HA ASP 87 HA ASP 87 13.290 6.944 8.872 675 1HB ASP 87 HB2 ASP 87 12.529 6.376 6.323 676 2HB ASP 87 HB1 ASP 87 10.964 6.483 7.130 677 H GLU 88 HN GLU 88 12.329 4.150 9.870 678 HA GLU 88 HA GLU 88 9.808 3.836 10.623 679 1HB GLU 88 HB2 GLU 88 11.587 2.406 11.393 680 2HB GLU 88 HB1 GLU 88 12.228 3.680 12.415 681 1HG GLU 88 HG2 GLU 88 10.258 3.571 13.826 682 2HG GLU 88 HG1 GLU 88 9.561 2.338 12.778 683 H GLN 89 HN GLN 89 11.878 6.335 12.049 684 HA GLN 89 HA GLN 89 10.209 7.157 14.133 685 1HB GLN 89 HB2 GLN 89 12.042 8.909 12.489 686 2HB GLN 89 HB1 GLN 89 11.460 9.236 14.115 687 1HG GLN 89 HG2 GLN 89 12.682 7.274 14.932 688 2HG GLN 89 HG1 GLN 89 13.298 6.996 13.303 689 1HE2 GLN 89 HE21 GLN 89 14.802 8.456 12.432 690 2HE2 GLN 89 HE22 GLN 89 15.715 9.521 13.438 691 H PHE 90 HN PHE 90 10.270 8.116 10.731 692 HA PHE 90 HA PHE 90 7.659 9.397 11.066 693 1HB PHE 90 HB2 PHE 90 9.359 11.182 11.195 694 2HB PHE 90 HB1 PHE 90 10.021 10.663 9.651 695 HD1 PHE 90 HD1 PHE 90 6.780 11.760 11.136 696 HD2 PHE 90 HD2 PHE 90 9.378 11.797 7.768 697 HE1 PHE 90 HE1 PHE 90 5.259 13.314 9.986 698 HE2 PHE 90 HE2 PHE 90 7.861 13.349 6.610 699 HZ PHE 90 HZ PHE 90 5.799 14.110 7.720 700 H SER 91 HN SER 91 6.859 7.511 10.051 701 HA SER 91 HA SER 91 7.761 6.983 7.322 702 1HB SER 91 HB2 SER 91 5.943 5.397 9.147 703 2HB SER 91 HB1 SER 91 6.510 4.878 7.557 704 HG SER 91 HG SER 91 8.443 5.692 9.389 705 H VAL 92 HN VAL 92 5.373 5.753 6.384 706 HA VAL 92 HA VAL 92 4.050 8.218 5.564 707 HB VAL 92 HB VAL 92 3.123 6.895 3.701 708 1HG1 VAL 92 HG11 VAL 92 5.228 8.078 3.420 709 2HG1 VAL 92 HG12 VAL 92 5.232 6.573 2.499 710 3HG1 VAL 92 HG13 VAL 92 6.114 6.677 4.023 711 1HG2 VAL 92 HG21 VAL 92 4.771 4.638 4.843 712 2HG2 VAL 92 HG22 VAL 92 3.937 4.623 3.288 713 3HG2 VAL 92 HG23 VAL 92 3.010 4.715 4.785 714 H LYS 93 HN LYS 93 1.673 7.660 4.759 715 HA LYS 93 HA LYS 93 0.236 7.240 7.242 716 1HB LYS 93 HB2 LYS 93 -0.117 9.230 5.762 717 2HB LYS 93 HB1 LYS 93 -0.777 8.155 4.543 718 1HG LYS 93 HG2 LYS 93 -2.622 7.583 5.988 719 2HG LYS 93 HG1 LYS 93 -1.930 8.548 7.295 720 1HD LYS 93 HD2 LYS 93 -2.111 10.556 5.882 721 2HD LYS 93 HD1 LYS 93 -2.853 9.580 4.614 722 1HE LYS 93 HE2 LYS 93 -4.714 9.054 6.098 723 2HE LYS 93 HE1 LYS 93 -3.966 9.999 7.385 724 1HZ LYS 93 HZ1 LYS 93 -5.671 11.277 6.270 725 2HZ LYS 93 HZ2 LYS 93 -4.910 11.055 4.765 726 3HZ LYS 93 HZ3 LYS 93 -4.150 11.970 5.976 727 H HIS 94 HN HIS 94 -1.105 5.579 7.666 728 HA HIS 94 HA HIS 94 -1.385 3.481 5.625 729 1HB HIS 94 HB2 HIS 94 -0.250 2.734 7.644 730 2HB HIS 94 HB1 HIS 94 -1.550 3.354 8.649 731 HD1 HIS 94 HD1 HIS 94 -1.779 0.959 9.669 732 HD2 HIS 94 HD2 HIS 94 -2.624 1.186 5.602 733 HE1 HIS 94 HE1 HIS 94 -3.002 -1.163 9.109 734 HE2 HIS 94 HE2 HIS 94 -3.657 -0.927 6.694 735 H TYR 95 HN TYR 95 -3.322 3.080 4.781 736 HA TYR 95 HA TYR 95 -5.696 4.245 6.079 737 1HB TYR 95 HB2 TYR 95 -5.407 3.294 3.215 738 2HB TYR 95 HB1 TYR 95 -6.784 4.144 3.905 739 HD1 TYR 95 HD1 TYR 95 -3.181 4.538 3.075 740 HD2 TYR 95 HD2 TYR 95 -6.877 6.490 3.863 741 HE1 TYR 95 HE1 TYR 95 -2.193 6.673 2.372 742 HE2 TYR 95 HE2 TYR 95 -5.898 8.636 3.165 743 HH TYR 95 HH TYR 95 -3.912 9.720 2.731 744 H GLU 96 HN GLU 96 -7.537 2.937 6.377 745 HA GLU 96 HA GLU 96 -6.917 0.144 6.790 746 1HB GLU 96 HB2 GLU 96 -9.339 1.845 7.371 747 2HB GLU 96 HB1 GLU 96 -9.362 0.103 7.587 748 1HG GLU 96 HG2 GLU 96 -8.942 1.200 9.689 749 2HG GLU 96 HG1 GLU 96 -7.524 0.279 9.195 750 H ALA 97 HN ALA 97 -7.710 -1.582 5.637 751 HA ALA 97 HA ALA 97 -9.340 -0.932 3.274 752 1HB ALA 97 HB1 ALA 97 -6.949 -2.770 3.319 753 2HB ALA 97 HB2 ALA 97 -6.992 -1.156 2.609 754 3HB ALA 97 HB3 ALA 97 -7.985 -2.446 1.930 755 H ARG 98 HN ARG 98 -10.745 -2.521 2.558 756 HA ARG 98 HA ARG 98 -10.790 -5.094 3.925 757 1HB ARG 98 HB2 ARG 98 -13.110 -4.966 4.548 758 2HB ARG 98 HB1 ARG 98 -12.296 -3.565 5.232 759 1HG ARG 98 HG2 ARG 98 -13.189 -2.139 3.516 760 2HG ARG 98 HG1 ARG 98 -13.880 -3.523 2.670 761 1HD ARG 98 HD2 ARG 98 -14.646 -2.622 5.444 762 2HD ARG 98 HD1 ARG 98 -15.551 -2.261 3.975 763 HE ARG 98 HE ARG 98 -15.357 -4.975 3.974 764 1HH1 ARG 98 HH11 ARG 98 -16.528 -2.616 6.273 765 2HH1 ARG 98 HH12 ARG 98 -17.693 -3.688 6.985 766 1HH2 ARG 98 HH21 ARG 98 -16.882 -6.396 4.887 767 2HH2 ARG 98 HH22 ARG 98 -17.908 -5.840 6.183 768 H VAL 99 HN VAL 99 -12.129 -6.664 2.820 769 HA VAL 99 HA VAL 99 -12.714 -5.909 0.031 770 HB VAL 99 HB VAL 99 -11.953 -8.615 1.145 771 1HG1 VAL 99 HG11 VAL 99 -13.615 -8.854 -0.624 772 2HG1 VAL 99 HG12 VAL 99 -12.032 -9.389 -1.186 773 3HG1 VAL 99 HG13 VAL 99 -12.658 -7.816 -1.680 774 1HG2 VAL 99 HG21 VAL 99 -10.526 -6.808 -0.802 775 2HG2 VAL 99 HG22 VAL 99 -9.967 -8.376 -0.218 776 3HG2 VAL 99 HG23 VAL 99 -10.098 -7.017 0.896 777 H LYS 100 HN LYS 100 -14.784 -5.606 -0.239 778 HA LYS 100 HA LYS 100 -16.695 -7.245 1.300 779 1HB LYS 100 HB2 LYS 100 -16.636 -4.836 1.880 780 2HB LYS 100 HB1 LYS 100 -17.047 -4.447 0.223 781 1HG LYS 100 HG2 LYS 100 -19.167 -5.658 0.476 782 2HG LYS 100 HG1 LYS 100 -18.762 -5.980 2.164 783 1HD LYS 100 HD2 LYS 100 -18.783 -3.644 2.683 784 2HD LYS 100 HD1 LYS 100 -18.958 -3.219 0.979 785 1HE LYS 100 HE2 LYS 100 -20.971 -4.697 2.670 786 2HE LYS 100 HE1 LYS 100 -21.082 -3.020 2.137 787 1HZ LYS 100 HZ1 LYS 100 -22.415 -4.484 0.752 788 2HZ LYS 100 HZ2 LYS 100 -21.040 -5.394 0.342 789 3HZ LYS 100 HZ3 LYS 100 -21.165 -3.775 -0.146 790 H ASP 101 HN ASP 101 -17.707 -8.669 0.057 791 HA ASP 101 HA ASP 101 -18.702 -9.683 -1.715 792 1HB ASP 101 HB2 ASP 101 -19.125 -6.837 -2.666 793 2HB ASP 101 HB1 ASP 101 -19.886 -8.256 -3.376 794 H GLY 102 HN GLY 102 -15.851 -9.019 -1.678 795 1HA GLY 102 HA2 GLY 102 -14.119 -9.594 -3.121 796 2HA GLY 102 HA1 GLY 102 -15.262 -9.596 -4.456 797 H VAL 103 HN VAL 103 -15.553 -6.764 -2.623 798 HA VAL 103 HA VAL 103 -14.003 -5.324 -4.683 799 HB VAL 103 HB VAL 103 -16.284 -4.231 -3.023 800 1HG1 VAL 103 HG11 VAL 103 -14.928 -3.163 -5.494 801 2HG1 VAL 103 HG12 VAL 103 -14.735 -2.543 -3.853 802 3HG1 VAL 103 HG13 VAL 103 -16.298 -2.425 -4.663 803 1HG2 VAL 103 HG21 VAL 103 -17.103 -6.017 -4.462 804 2HG2 VAL 103 HG22 VAL 103 -16.337 -5.260 -5.859 805 3HG2 VAL 103 HG23 VAL 103 -17.665 -4.445 -5.031 806 H VAL 104 HN VAL 104 -12.391 -4.008 -4.078 807 HA VAL 104 HA VAL 104 -11.547 -4.017 -1.321 808 HB VAL 104 HB VAL 104 -10.341 -2.466 -3.623 809 1HG1 VAL 104 HG11 VAL 104 -9.180 -3.379 -0.992 810 2HG1 VAL 104 HG12 VAL 104 -9.606 -1.724 -1.425 811 3HG1 VAL 104 HG13 VAL 104 -8.296 -2.548 -2.271 812 1HG2 VAL 104 HG21 VAL 104 -9.685 -5.256 -2.671 813 2HG2 VAL 104 HG22 VAL 104 -8.789 -4.349 -3.888 814 3HG2 VAL 104 HG23 VAL 104 -10.455 -4.837 -4.200 815 H GLN 105 HN GLN 105 -12.381 -2.645 0.110 816 HA GLN 105 HA GLN 105 -13.081 0.066 -0.810 817 1HB GLN 105 HB2 GLN 105 -14.186 -1.504 1.524 818 2HB GLN 105 HB1 GLN 105 -14.569 0.177 1.184 819 1HG GLN 105 HG2 GLN 105 -15.482 -0.527 -1.009 820 2HG GLN 105 HG1 GLN 105 -15.205 -2.204 -0.540 821 1HE2 GLN 105 HE21 GLN 105 -17.689 -0.817 -1.184 822 2HE2 GLN 105 HE22 GLN 105 -18.708 -0.993 0.192 823 H LEU 106 HN LEU 106 -12.217 1.800 0.214 824 HA LEU 106 HA LEU 106 -10.154 1.185 2.223 825 1HB LEU 106 HB2 LEU 106 -10.244 3.440 0.221 826 2HB LEU 106 HB1 LEU 106 -8.990 3.204 1.422 827 HG LEU 106 HG LEU 106 -9.595 1.379 -0.905 828 1HD1 LEU 106 HD11 LEU 106 -7.387 2.077 -1.690 829 2HD1 LEU 106 HD12 LEU 106 -7.249 3.180 -0.320 830 3HD1 LEU 106 HD13 LEU 106 -8.487 3.448 -1.546 831 1HD2 LEU 106 HD21 LEU 106 -8.873 0.101 1.042 832 2HD2 LEU 106 HD22 LEU 106 -7.479 1.163 1.236 833 3HD2 LEU 106 HD23 LEU 106 -7.612 0.134 -0.191 834 H ARG 107 HN ARG 107 -10.075 2.284 4.071 835 HA ARG 107 HA ARG 107 -11.966 4.504 4.490 836 1HB ARG 107 HB2 ARG 107 -12.816 2.661 5.757 837 2HB ARG 107 HB1 ARG 107 -11.216 2.242 6.348 838 1HG ARG 107 HG2 ARG 107 -11.169 4.317 7.659 839 2HG ARG 107 HG1 ARG 107 -12.794 4.702 7.087 840 1HD ARG 107 HD2 ARG 107 -13.708 2.787 8.179 841 2HD ARG 107 HD1 ARG 107 -12.107 2.177 8.569 842 HE ARG 107 HE ARG 107 -13.347 4.557 9.793 843 1HH1 ARG 107 HH11 ARG 107 -11.063 1.915 9.874 844 2HH1 ARG 107 HH12 ARG 107 -10.674 2.114 11.552 845 1HH2 ARG 107 HH21 ARG 107 -12.851 4.835 12.003 846 2HH2 ARG 107 HH22 ARG 107 -11.685 3.793 12.764 847 H GLY 108 HN GLY 108 -11.170 6.271 5.532 848 1HA GLY 108 HA2 GLY 108 -9.138 6.509 7.303 849 2HA GLY 108 HA1 GLY 108 -8.302 6.485 5.762 850 H GLY 109 HN GLY 109 -9.158 8.033 4.138 851 1HA GLY 109 HA2 GLY 109 -9.683 10.194 3.512 852 2HA GLY 109 HA1 GLY 109 -10.447 10.412 5.082 853 H SER 110 HN SER 110 -9.452 12.527 5.085 854 HA SER 110 HA SER 110 -6.585 12.670 5.268 855 1HB SER 110 HB2 SER 110 -8.668 14.804 5.799 856 2HB SER 110 HB1 SER 110 -6.938 15.067 5.568 857 HG SER 110 HG SER 110 -7.393 13.871 3.459 Start of MODEL 15 1 HA MET 1 HA MET 1 -11.343 11.158 8.997 2 1HB MET 1 HB2 MET 1 -13.996 12.049 7.845 3 2HB MET 1 HB1 MET 1 -13.814 11.209 9.380 4 1HG MET 1 HG2 MET 1 -12.567 13.032 10.300 5 2HG MET 1 HG1 MET 1 -12.521 13.847 8.739 6 1HE MET 1 HE1 MET 1 -13.476 15.210 11.517 7 2HE MET 1 HE2 MET 1 -14.825 16.164 10.900 8 3HE MET 1 HE3 MET 1 -13.331 16.042 9.968 9 H SER 2 HN SER 2 -13.067 9.256 9.398 10 HA SER 2 HA SER 2 -12.263 7.188 7.609 11 1HB SER 2 HB2 SER 2 -13.988 5.887 9.079 12 2HB SER 2 HB1 SER 2 -12.475 6.447 9.788 13 HG SER 2 HG SER 2 -14.592 6.894 10.920 14 H GLN 3 HN GLN 3 -13.099 7.162 5.606 15 HA GLN 3 HA GLN 3 -15.929 6.572 5.455 16 1HB GLN 3 HB2 GLN 3 -15.849 7.962 3.178 17 2HB GLN 3 HB1 GLN 3 -16.362 8.659 4.700 18 1HG GLN 3 HG2 GLN 3 -14.938 10.208 3.596 19 2HG GLN 3 HG1 GLN 3 -14.079 9.576 4.996 20 1HE2 GLN 3 HE21 GLN 3 -12.162 8.594 4.713 21 2HE2 GLN 3 HE22 GLN 3 -11.412 8.342 3.178 22 H TRP 4 HN TRP 4 -16.070 4.659 4.621 23 HA TRP 4 HA TRP 4 -13.962 3.401 3.211 24 1HB TRP 4 HB2 TRP 4 -16.854 2.609 3.582 25 2HB TRP 4 HB1 TRP 4 -15.645 1.583 2.815 26 HD1 TRP 4 HD1 TRP 4 -16.914 2.664 6.195 27 HE1 TRP 4 HE1 TRP 4 -15.609 1.426 8.040 28 HE3 TRP 4 HE3 TRP 4 -13.222 0.607 3.325 29 HZ2 TRP 4 HZ2 TRP 4 -13.312 -0.209 8.243 30 HZ3 TRP 4 HZ3 TRP 4 -11.511 -0.782 4.416 31 HH2 TRP 4 HH2 TRP 4 -11.556 -1.181 6.826 32 H LYS 5 HN LYS 5 -13.385 3.772 1.220 33 HA LYS 5 HA LYS 5 -15.355 4.707 -0.722 34 1HB LYS 5 HB2 LYS 5 -12.362 4.761 -0.598 35 2HB LYS 5 HB1 LYS 5 -13.180 4.928 -2.146 36 1HG LYS 5 HG2 LYS 5 -13.701 6.681 0.241 37 2HG LYS 5 HG1 LYS 5 -12.595 7.083 -1.075 38 1HD LYS 5 HD2 LYS 5 -14.408 7.018 -2.669 39 2HD LYS 5 HD1 LYS 5 -15.529 6.475 -1.421 40 1HE LYS 5 HE2 LYS 5 -14.076 9.114 -1.434 41 2HE LYS 5 HE1 LYS 5 -15.751 8.873 -1.926 42 1HZ LYS 5 HZ1 LYS 5 -16.109 7.942 0.376 43 2HZ LYS 5 HZ2 LYS 5 -15.838 9.613 0.279 44 3HZ LYS 5 HZ3 LYS 5 -14.587 8.582 0.782 45 H ASP 6 HN ASP 6 -16.256 3.370 -2.081 46 HA ASP 6 HA ASP 6 -15.329 0.677 -2.487 47 1HB ASP 6 HB2 ASP 6 -17.750 1.433 -2.534 48 2HB ASP 6 HB1 ASP 6 -17.405 2.214 -4.072 49 H ILE 7 HN ILE 7 -13.395 0.533 -3.546 50 HA ILE 7 HA ILE 7 -12.741 2.455 -5.619 51 HB ILE 7 HB ILE 7 -11.078 0.097 -4.728 52 1HG1 ILE 7 HG12 ILE 7 -11.637 1.449 -2.764 53 2HG1 ILE 7 HG11 ILE 7 -9.938 1.635 -3.183 54 1HG2 ILE 7 HG21 ILE 7 -10.346 2.708 -6.045 55 2HG2 ILE 7 HG22 ILE 7 -10.368 1.119 -6.812 56 3HG2 ILE 7 HG23 ILE 7 -9.205 1.465 -5.531 57 1HD1 ILE 7 HD11 ILE 7 -12.140 3.584 -3.813 58 2HD1 ILE 7 HD12 ILE 7 -10.439 3.773 -4.240 59 3HD1 ILE 7 HD13 ILE 7 -10.925 3.750 -2.546 60 H CYS 8 HN CYS 8 -11.988 -0.959 -5.627 61 HA CYS 8 HA CYS 8 -13.503 -1.451 -8.051 62 1HB CYS 8 HB2 CYS 8 -10.497 -1.845 -7.896 63 2HB CYS 8 HB1 CYS 8 -11.525 -2.374 -9.222 64 HG CYS 8 HG CYS 8 -12.191 0.739 -8.964 65 H LYS 9 HN LYS 9 -12.335 -3.986 -8.570 66 HA LYS 9 HA LYS 9 -13.222 -5.336 -6.120 67 1HB LYS 9 HB2 LYS 9 -12.925 -6.443 -8.916 68 2HB LYS 9 HB1 LYS 9 -13.619 -7.281 -7.534 69 1HG LYS 9 HG2 LYS 9 -15.430 -5.664 -7.441 70 2HG LYS 9 HG1 LYS 9 -14.731 -4.791 -8.806 71 1HD LYS 9 HD2 LYS 9 -16.227 -6.064 -9.934 72 2HD LYS 9 HD1 LYS 9 -14.873 -7.192 -9.913 73 1HE LYS 9 HE2 LYS 9 -17.223 -7.162 -8.026 74 2HE LYS 9 HE1 LYS 9 -16.934 -8.325 -9.317 75 1HZ LYS 9 HZ1 LYS 9 -14.931 -9.058 -8.143 76 2HZ LYS 9 HZ2 LYS 9 -16.322 -9.238 -7.188 77 3HZ LYS 9 HZ3 LYS 9 -15.260 -7.960 -6.895 78 H ILE 10 HN ILE 10 -12.075 -7.294 -5.468 79 HA ILE 10 HA ILE 10 -9.247 -6.862 -5.453 80 HB ILE 10 HB ILE 10 -10.554 -7.870 -3.551 81 1HG1 ILE 10 HG12 ILE 10 -8.287 -9.629 -4.491 82 2HG1 ILE 10 HG11 ILE 10 -8.046 -8.007 -3.850 83 1HG2 ILE 10 HG21 ILE 10 -11.006 -10.279 -3.610 84 2HG2 ILE 10 HG22 ILE 10 -10.515 -10.323 -5.303 85 3HG2 ILE 10 HG23 ILE 10 -11.944 -9.408 -4.824 86 1HD1 ILE 10 HD11 ILE 10 -7.658 -9.691 -2.151 87 2HD1 ILE 10 HD12 ILE 10 -9.291 -10.317 -2.382 88 3HD1 ILE 10 HD13 ILE 10 -9.053 -8.690 -1.742 89 H ASP 11 HN ASP 11 -11.371 -8.313 -7.575 90 HA ASP 11 HA ASP 11 -9.705 -10.308 -8.730 91 1HB ASP 11 HB2 ASP 11 -11.926 -8.757 -10.082 92 2HB ASP 11 HB1 ASP 11 -11.308 -10.343 -10.534 93 H ASP 12 HN ASP 12 -9.802 -6.891 -8.843 94 HA ASP 12 HA ASP 12 -8.480 -6.616 -11.395 95 1HB ASP 12 HB2 ASP 12 -9.073 -4.615 -9.204 96 2HB ASP 12 HB1 ASP 12 -8.306 -4.201 -10.731 97 H ILE 13 HN ILE 13 -7.525 -7.260 -8.199 98 HA ILE 13 HA ILE 13 -4.802 -6.257 -8.719 99 HB ILE 13 HB ILE 13 -5.990 -6.803 -5.996 100 1HG1 ILE 13 HG12 ILE 13 -5.713 -4.136 -7.406 101 2HG1 ILE 13 HG11 ILE 13 -7.232 -4.999 -7.186 102 1HG2 ILE 13 HG21 ILE 13 -3.555 -5.246 -6.865 103 2HG2 ILE 13 HG22 ILE 13 -3.549 -6.850 -6.134 104 3HG2 ILE 13 HG23 ILE 13 -4.108 -5.461 -5.204 105 1HD1 ILE 13 HD11 ILE 13 -5.475 -3.920 -4.994 106 2HD1 ILE 13 HD12 ILE 13 -6.988 -4.799 -4.765 107 3HD1 ILE 13 HD13 ILE 13 -6.995 -3.225 -5.559 108 H LEU 14 HN LEU 14 -3.233 -7.706 -8.866 109 HA LEU 14 HA LEU 14 -3.885 -10.516 -8.490 110 1HB LEU 14 HB2 LEU 14 -1.441 -9.172 -9.658 111 2HB LEU 14 HB1 LEU 14 -1.733 -10.900 -9.649 112 HG LEU 14 HG LEU 14 -3.462 -8.878 -11.075 113 1HD1 LEU 14 HD11 LEU 14 -1.237 -9.023 -12.068 114 2HD1 LEU 14 HD12 LEU 14 -2.457 -9.741 -13.119 115 3HD1 LEU 14 HD13 LEU 14 -1.392 -10.777 -12.169 116 1HD2 LEU 14 HD21 LEU 14 -4.451 -10.843 -12.140 117 2HD2 LEU 14 HD22 LEU 14 -4.670 -10.885 -10.390 118 3HD2 LEU 14 HD23 LEU 14 -3.439 -11.894 -11.150 119 HA PRO 15 HA PRO 15 -1.431 -11.205 -4.822 120 1HB PRO 15 HB2 PRO 15 0.190 -13.299 -5.587 121 2HB PRO 15 HB1 PRO 15 -1.480 -13.477 -5.043 122 1HG PRO 15 HG2 PRO 15 -0.386 -13.407 -7.823 123 2HG PRO 15 HG1 PRO 15 -1.660 -14.439 -7.143 124 1HD PRO 15 HD2 PRO 15 -2.241 -12.307 -8.667 125 2HD PRO 15 HD1 PRO 15 -3.263 -12.771 -7.290 126 H GLU 16 HN GLU 16 0.268 -10.174 -4.044 127 HA GLU 16 HA GLU 16 2.175 -9.005 -3.849 128 1HB GLU 16 HB2 GLU 16 3.089 -11.026 -5.884 129 2HB GLU 16 HB1 GLU 16 4.170 -9.820 -5.198 130 1HG GLU 16 HG2 GLU 16 4.585 -11.293 -3.597 131 2HG GLU 16 HG1 GLU 16 2.977 -10.923 -2.981 132 H THR 17 HN THR 17 0.241 -7.805 -5.410 133 HA THR 17 HA THR 17 1.986 -6.172 -7.123 134 HB THR 17 HB THR 17 0.244 -5.850 -8.802 135 HG1 THR 17 HG1 THR 17 -1.220 -7.678 -7.184 136 1HG2 THR 17 HG21 THR 17 1.852 -7.630 -9.205 137 2HG2 THR 17 HG22 THR 17 0.269 -8.073 -9.845 138 3HG2 THR 17 HG23 THR 17 0.833 -8.770 -8.325 139 H GLY 18 HN GLY 18 1.243 -3.978 -7.418 140 1HA GLY 18 HA2 GLY 18 -0.798 -3.125 -5.473 141 2HA GLY 18 HA1 GLY 18 0.772 -2.331 -5.525 142 H VAL 19 HN VAL 19 -2.031 -1.385 -6.045 143 HA VAL 19 HA VAL 19 -1.520 -0.219 -8.709 144 HB VAL 19 HB VAL 19 -3.963 -0.031 -9.026 145 1HG1 VAL 19 HG11 VAL 19 -4.405 -2.410 -9.465 146 2HG1 VAL 19 HG12 VAL 19 -2.981 -2.835 -8.517 147 3HG1 VAL 19 HG13 VAL 19 -2.802 -1.915 -10.010 148 1HG2 VAL 19 HG21 VAL 19 -4.138 -1.692 -6.512 149 2HG2 VAL 19 HG22 VAL 19 -5.487 -1.281 -7.571 150 3HG2 VAL 19 HG23 VAL 19 -4.641 -0.012 -6.684 151 H CYS 20 HN CYS 20 -2.776 1.902 -8.992 152 HA CYS 20 HA CYS 20 -2.517 3.474 -6.512 153 1HB CYS 20 HB2 CYS 20 -2.470 4.480 -9.364 154 2HB CYS 20 HB1 CYS 20 -2.106 5.407 -7.913 155 HG CYS 20 HG CYS 20 0.048 4.235 -9.803 156 H ALA 21 HN ALA 21 -4.273 4.409 -5.669 157 HA ALA 21 HA ALA 21 -6.654 4.744 -7.369 158 1HB ALA 21 HB1 ALA 21 -6.655 3.682 -4.545 159 2HB ALA 21 HB2 ALA 21 -6.939 2.730 -6.002 160 3HB ALA 21 HB3 ALA 21 -8.077 3.995 -5.538 161 H LEU 22 HN LEU 22 -8.132 6.399 -6.630 162 HA LEU 22 HA LEU 22 -6.751 8.464 -5.055 163 1HB LEU 22 HB2 LEU 22 -8.867 8.766 -7.186 164 2HB LEU 22 HB1 LEU 22 -8.181 10.087 -6.260 165 HG LEU 22 HG LEU 22 -6.650 8.308 -8.163 166 1HD1 LEU 22 HD11 LEU 22 -6.522 10.307 -9.569 167 2HD1 LEU 22 HD12 LEU 22 -7.563 11.168 -8.435 168 3HD1 LEU 22 HD13 LEU 22 -8.189 9.783 -9.330 169 1HD2 LEU 22 HD21 LEU 22 -5.246 9.095 -6.342 170 2HD2 LEU 22 HD22 LEU 22 -5.794 10.749 -6.611 171 3HD2 LEU 22 HD23 LEU 22 -4.833 9.930 -7.840 172 H LEU 23 HN LEU 23 -7.481 8.549 -3.060 173 HA LEU 23 HA LEU 23 -10.362 8.188 -2.558 174 1HB LEU 23 HB2 LEU 23 -8.806 6.665 -1.359 175 2HB LEU 23 HB1 LEU 23 -8.028 8.054 -0.633 176 HG LEU 23 HG LEU 23 -10.953 7.717 -0.158 177 1HD1 LEU 23 HD11 LEU 23 -10.088 5.458 0.160 178 2HD1 LEU 23 HD12 LEU 23 -10.507 6.193 1.706 179 3HD1 LEU 23 HD13 LEU 23 -8.817 6.083 1.212 180 1HD2 LEU 23 HD21 LEU 23 -10.339 8.610 2.028 181 2HD2 LEU 23 HD22 LEU 23 -9.729 9.647 0.735 182 3HD2 LEU 23 HD23 LEU 23 -8.632 8.553 1.580 183 H GLY 24 HN GLY 24 -11.220 10.208 -2.873 184 1HA GLY 24 HA2 GLY 24 -11.612 12.453 -2.514 185 2HA GLY 24 HA1 GLY 24 -10.603 12.333 -1.077 186 H ASP 25 HN ASP 25 -8.587 13.163 -1.129 187 HA ASP 25 HA ASP 25 -7.401 13.714 -3.771 188 1HB ASP 25 HB2 ASP 25 -7.135 15.337 -1.231 189 2HB ASP 25 HB1 ASP 25 -6.128 15.570 -2.656 190 H GLU 26 HN GLU 26 -7.352 11.638 -1.406 191 HA GLU 26 HA GLU 26 -4.524 11.577 -0.790 192 1HB GLU 26 HB2 GLU 26 -6.712 9.597 -0.125 193 2HB GLU 26 HB1 GLU 26 -5.079 9.575 0.521 194 1HG GLU 26 HG2 GLU 26 -7.154 11.702 0.979 195 2HG GLU 26 HG1 GLU 26 -6.615 10.489 2.138 196 H GLN 27 HN GLN 27 -3.156 10.816 -2.229 197 HA GLN 27 HA GLN 27 -3.943 8.922 -4.247 198 1HB GLN 27 HB2 GLN 27 -1.213 10.027 -3.538 199 2HB GLN 27 HB1 GLN 27 -1.597 9.101 -4.985 200 1HG GLN 27 HG2 GLN 27 -3.035 10.848 -5.789 201 2HG GLN 27 HG1 GLN 27 -2.849 11.749 -4.286 202 1HE2 GLN 27 HE21 GLN 27 -1.364 10.827 -7.278 203 2HE2 GLN 27 HE22 GLN 27 -0.048 11.943 -7.210 204 H VAL 28 HN VAL 28 -4.333 6.924 -3.573 205 HA VAL 28 HA VAL 28 -2.711 5.826 -1.378 206 HB VAL 28 HB VAL 28 -5.443 4.926 -2.313 207 1HG1 VAL 28 HG11 VAL 28 -4.235 3.139 -1.237 208 2HG1 VAL 28 HG12 VAL 28 -5.500 3.725 -0.153 209 3HG1 VAL 28 HG13 VAL 28 -3.820 4.190 0.116 210 1HG2 VAL 28 HG21 VAL 28 -6.314 6.005 -0.299 211 2HG2 VAL 28 HG22 VAL 28 -5.554 7.173 -1.380 212 3HG2 VAL 28 HG23 VAL 28 -4.704 6.627 0.066 213 H ALA 29 HN ALA 29 -1.596 3.986 -1.627 214 HA ALA 29 HA ALA 29 -1.756 2.629 -4.230 215 1HB ALA 29 HB1 ALA 29 0.416 2.513 -2.138 216 2HB ALA 29 HB2 ALA 29 0.462 3.471 -3.618 217 3HB ALA 29 HB3 ALA 29 0.443 1.710 -3.707 218 H ILE 30 HN ILE 30 -3.023 0.910 -4.219 219 HA ILE 30 HA ILE 30 -3.533 -0.507 -1.721 220 HB ILE 30 HB ILE 30 -4.761 -1.050 -4.432 221 1HG1 ILE 30 HG12 ILE 30 -5.865 0.644 -2.174 222 2HG1 ILE 30 HG11 ILE 30 -5.211 1.277 -3.682 223 1HG2 ILE 30 HG21 ILE 30 -4.921 -2.886 -2.830 224 2HG2 ILE 30 HG22 ILE 30 -6.504 -2.170 -3.128 225 3HG2 ILE 30 HG23 ILE 30 -5.635 -1.797 -1.640 226 1HD1 ILE 30 HD11 ILE 30 -7.634 1.251 -3.723 227 2HD1 ILE 30 HD12 ILE 30 -7.637 -0.484 -3.407 228 3HD1 ILE 30 HD13 ILE 30 -6.981 0.136 -4.922 229 H PHE 31 HN PHE 31 -2.048 -1.980 -1.217 230 HA PHE 31 HA PHE 31 -0.818 -3.548 -3.369 231 1HB PHE 31 HB2 PHE 31 -0.003 -3.140 -0.489 232 2HB PHE 31 HB1 PHE 31 0.815 -4.233 -1.598 233 HD1 PHE 31 HD1 PHE 31 0.441 -0.830 -0.488 234 HD2 PHE 31 HD2 PHE 31 1.987 -3.303 -3.587 235 HE1 PHE 31 HE1 PHE 31 1.889 1.013 -1.232 236 HE2 PHE 31 HE2 PHE 31 3.439 -1.464 -4.332 237 HZ PHE 31 HZ PHE 31 3.391 0.696 -3.154 238 H ARG 32 HN ARG 32 -1.412 -5.584 -3.670 239 HA ARG 32 HA ARG 32 -2.585 -7.051 -1.404 240 1HB ARG 32 HB2 ARG 32 -3.851 -7.067 -3.559 241 2HB ARG 32 HB1 ARG 32 -2.464 -7.818 -4.335 242 1HG ARG 32 HG2 ARG 32 -2.705 -9.774 -2.908 243 2HG ARG 32 HG1 ARG 32 -4.075 -9.016 -2.090 244 1HD ARG 32 HD2 ARG 32 -5.287 -8.945 -4.228 245 2HD ARG 32 HD1 ARG 32 -3.926 -9.745 -5.014 246 HE ARG 32 HE ARG 32 -4.765 -11.318 -2.849 247 1HH1 ARG 32 HH11 ARG 32 -5.902 -10.288 -6.003 248 2HH1 ARG 32 HH12 ARG 32 -6.871 -11.711 -6.256 249 1HH2 ARG 32 HH21 ARG 32 -6.034 -13.181 -3.182 250 2HH2 ARG 32 HH22 ARG 32 -6.975 -13.339 -4.636 251 HA PRO 33 HA PRO 33 1.655 -8.602 -1.482 252 1HB PRO 33 HB2 PRO 33 1.958 -8.829 1.172 253 2HB PRO 33 HB1 PRO 33 2.006 -7.265 0.357 254 1HG PRO 33 HG2 PRO 33 -0.125 -8.461 2.032 255 2HG PRO 33 HG1 PRO 33 0.291 -6.759 1.785 256 1HD PRO 33 HD2 PRO 33 -1.798 -8.215 0.535 257 2HD PRO 33 HD1 PRO 33 -1.261 -6.568 0.152 258 H TYR 34 HN TYR 34 -1.092 -10.005 0.196 259 HA TYR 34 HA TYR 34 0.228 -12.618 0.198 260 1HB TYR 34 HB2 TYR 34 -2.309 -11.675 1.555 261 2HB TYR 34 HB1 TYR 34 -1.702 -13.326 1.620 262 HD1 TYR 34 HD1 TYR 34 0.412 -13.819 2.825 263 HD2 TYR 34 HD2 TYR 34 -1.365 -9.954 2.916 264 HE1 TYR 34 HE1 TYR 34 1.777 -13.244 4.787 265 HE2 TYR 34 HE2 TYR 34 -0.002 -9.369 4.877 266 HH TYR 34 HH TYR 34 2.655 -11.206 5.889 267 H HIS 35 HN HIS 35 -0.955 -14.474 -0.615 268 HA HIS 35 HA HIS 35 -2.107 -13.889 -3.175 269 1HB HIS 35 HB2 HIS 35 -2.203 -16.592 -1.840 270 2HB HIS 35 HB1 HIS 35 -2.159 -16.227 -3.559 271 HD1 HIS 35 HD1 HIS 35 0.316 -14.750 -4.072 272 HD2 HIS 35 HD2 HIS 35 0.132 -17.623 -1.075 273 HE1 HIS 35 HE1 HIS 35 2.690 -15.443 -3.655 274 HE2 HIS 35 HE2 HIS 35 2.564 -16.991 -1.671 275 H SER 36 HN SER 36 -3.345 -14.171 -0.053 276 HA SER 36 HA SER 36 -5.997 -15.044 -0.855 277 1HB SER 36 HB2 SER 36 -4.977 -14.217 1.872 278 2HB SER 36 HB1 SER 36 -6.473 -15.086 1.525 279 HG SER 36 HG SER 36 -4.636 -16.519 0.390 280 H ASP 37 HN ASP 37 -7.271 -13.456 1.275 281 HA ASP 37 HA ASP 37 -7.938 -11.167 -0.374 282 1HB ASP 37 HB2 ASP 37 -9.813 -10.896 1.153 283 2HB ASP 37 HB1 ASP 37 -9.682 -12.588 0.680 284 H GLN 38 HN GLN 38 -5.587 -11.648 1.812 285 HA GLN 38 HA GLN 38 -5.988 -9.401 3.556 286 1HB GLN 38 HB2 GLN 38 -4.608 -11.693 3.819 287 2HB GLN 38 HB1 GLN 38 -3.302 -10.640 3.290 288 1HG GLN 38 HG2 GLN 38 -3.694 -9.155 5.147 289 2HG GLN 38 HG1 GLN 38 -5.099 -10.098 5.643 290 1HE2 GLN 38 HE21 GLN 38 -2.790 -9.501 7.215 291 2HE2 GLN 38 HE22 GLN 38 -2.045 -11.014 7.616 292 H VAL 39 HN VAL 39 -5.935 -7.453 2.603 293 HA VAL 39 HA VAL 39 -3.636 -6.831 0.867 294 HB VAL 39 HB VAL 39 -5.061 -5.110 -0.216 295 1HG1 VAL 39 HG11 VAL 39 -6.396 -6.664 -1.563 296 2HG1 VAL 39 HG12 VAL 39 -6.138 -7.924 -0.356 297 3HG1 VAL 39 HG13 VAL 39 -4.771 -7.284 -1.269 298 1HG2 VAL 39 HG21 VAL 39 -7.497 -5.209 0.077 299 2HG2 VAL 39 HG22 VAL 39 -6.675 -4.753 1.568 300 3HG2 VAL 39 HG23 VAL 39 -7.288 -6.396 1.365 301 H PHE 40 HN PHE 40 -2.858 -4.626 0.946 302 HA PHE 40 HA PHE 40 -3.538 -3.157 3.397 303 1HB PHE 40 HB2 PHE 40 -0.750 -3.942 2.517 304 2HB PHE 40 HB1 PHE 40 -1.072 -2.693 3.714 305 HD1 PHE 40 HD1 PHE 40 -1.841 -3.259 5.924 306 HD2 PHE 40 HD2 PHE 40 -1.117 -6.282 3.018 307 HE1 PHE 40 HE1 PHE 40 -1.881 -4.967 7.694 308 HE2 PHE 40 HE2 PHE 40 -1.160 -7.993 4.782 309 HZ PHE 40 HZ PHE 40 -1.541 -7.337 7.123 310 H ALA 41 HN ALA 41 -3.615 -0.976 3.120 311 HA ALA 41 HA ALA 41 -2.646 0.068 0.546 312 1HB ALA 41 HB1 ALA 41 -5.088 -0.024 0.606 313 2HB ALA 41 HB2 ALA 41 -4.507 1.641 0.553 314 3HB ALA 41 HB3 ALA 41 -5.090 0.957 2.071 315 H ILE 42 HN ILE 42 -1.317 1.745 0.619 316 HA ILE 42 HA ILE 42 -1.212 3.422 3.027 317 HB ILE 42 HB ILE 42 1.280 3.460 2.895 318 1HG1 ILE 42 HG12 ILE 42 0.916 1.047 1.103 319 2HG1 ILE 42 HG11 ILE 42 1.474 2.628 0.569 320 1HG2 ILE 42 HG21 ILE 42 0.140 2.130 4.585 321 2HG2 ILE 42 HG22 ILE 42 1.626 1.338 4.059 322 3HG2 ILE 42 HG23 ILE 42 0.065 0.762 3.474 323 1HD1 ILE 42 HD11 ILE 42 2.882 0.831 2.531 324 2HD1 ILE 42 HD12 ILE 42 3.444 2.413 1.991 325 3HD1 ILE 42 HD13 ILE 42 3.325 1.081 0.842 326 H SER 43 HN SER 43 0.429 5.331 2.470 327 HA SER 43 HA SER 43 -0.563 6.674 0.178 328 1HB SER 43 HB2 SER 43 1.965 7.363 1.690 329 2HB SER 43 HB1 SER 43 0.897 8.459 0.813 330 HG SER 43 HG SER 43 -0.668 8.164 2.390 331 H ASN 44 HN ASN 44 0.233 6.759 -1.895 332 HA ASN 44 HA ASN 44 2.248 4.799 -2.570 333 1HB ASN 44 HB2 ASN 44 1.679 5.192 -4.866 334 2HB ASN 44 HB1 ASN 44 0.182 5.136 -3.947 335 1HD2 ASN 44 HD21 ASN 44 0.749 6.343 -6.537 336 2HD2 ASN 44 HD22 ASN 44 0.336 8.012 -6.390 337 H ILE 45 HN ILE 45 2.163 8.116 -1.936 338 HA ILE 45 HA ILE 45 4.809 8.511 -3.160 339 HB ILE 45 HB ILE 45 2.684 10.523 -2.381 340 1HG1 ILE 45 HG12 ILE 45 3.926 9.838 -5.053 341 2HG1 ILE 45 HG11 ILE 45 2.320 9.357 -4.518 342 1HG2 ILE 45 HG21 ILE 45 4.863 11.423 -1.794 343 2HG2 ILE 45 HG22 ILE 45 4.209 12.263 -3.200 344 3HG2 ILE 45 HG23 ILE 45 5.471 11.048 -3.407 345 1HD1 ILE 45 HD11 ILE 45 1.665 11.714 -4.424 346 2HD1 ILE 45 HD12 ILE 45 2.194 11.230 -6.035 347 3HD1 ILE 45 HD13 ILE 45 3.269 12.171 -5.001 348 H ASP 46 HN ASP 46 6.405 8.323 -1.737 349 HA ASP 46 HA ASP 46 6.051 8.565 1.079 350 1HB ASP 46 HB2 ASP 46 8.699 8.672 0.906 351 2HB ASP 46 HB1 ASP 46 7.815 7.171 0.660 352 HA PRO 47 HA PRO 47 5.916 12.854 1.442 353 1HB PRO 47 HB2 PRO 47 6.904 12.591 4.193 354 2HB PRO 47 HB1 PRO 47 5.317 13.104 3.614 355 1HG PRO 47 HG2 PRO 47 5.687 10.735 4.824 356 2HG PRO 47 HG1 PRO 47 4.508 10.945 3.515 357 1HD PRO 47 HD2 PRO 47 7.262 9.766 3.417 358 2HD PRO 47 HD1 PRO 47 5.768 9.200 2.639 359 H PHE 48 HN PHE 48 8.861 11.550 3.018 360 HA PHE 48 HA PHE 48 10.115 14.170 2.679 361 1HB PHE 48 HB2 PHE 48 10.268 13.011 4.873 362 2HB PHE 48 HB1 PHE 48 11.154 11.702 4.100 363 HD1 PHE 48 HD1 PHE 48 13.472 11.881 3.672 364 HD2 PHE 48 HD2 PHE 48 11.281 15.275 5.013 365 HE1 PHE 48 HE1 PHE 48 15.581 13.080 4.072 366 HE2 PHE 48 HE2 PHE 48 13.388 16.481 5.416 367 HZ PHE 48 HZ PHE 48 15.541 15.382 4.944 368 H PHE 49 HN PHE 49 10.479 10.817 1.703 369 HA PHE 49 HA PHE 49 12.920 11.245 0.272 370 1HB PHE 49 HB2 PHE 49 11.884 9.071 1.293 371 2HB PHE 49 HB1 PHE 49 11.060 8.952 -0.256 372 HD1 PHE 49 HD1 PHE 49 14.482 9.502 1.113 373 HD2 PHE 49 HD2 PHE 49 12.072 7.748 -1.919 374 HE1 PHE 49 HE1 PHE 49 16.472 8.407 0.176 375 HE2 PHE 49 HE2 PHE 49 14.057 6.652 -2.866 376 HZ PHE 49 HZ PHE 49 16.260 6.979 -1.815 377 H GLU 50 HN GLU 50 9.524 11.322 -0.511 378 HA GLU 50 HA GLU 50 8.358 12.160 -2.235 379 1HB GLU 50 HB2 GLU 50 10.952 13.600 -2.666 380 2HB GLU 50 HB1 GLU 50 9.571 13.845 -3.727 381 1HG GLU 50 HG2 GLU 50 8.227 14.506 -1.767 382 2HG GLU 50 HG1 GLU 50 9.668 14.349 -0.762 383 H SER 51 HN SER 51 8.878 9.677 -2.775 384 HA SER 51 HA SER 51 9.571 9.660 -5.628 385 1HB SER 51 HB2 SER 51 8.796 7.279 -3.937 386 2HB SER 51 HB1 SER 51 9.693 7.290 -5.457 387 HG SER 51 HG SER 51 10.538 8.076 -2.874 388 H SER 52 HN SER 52 7.935 8.424 -7.033 389 HA SER 52 HA SER 52 5.406 9.710 -6.440 390 1HB SER 52 HB2 SER 52 4.978 9.098 -8.916 391 2HB SER 52 HB1 SER 52 6.168 10.349 -8.548 392 HG SER 52 HG SER 52 7.092 8.945 -10.001 393 H VAL 53 HN VAL 53 6.530 6.525 -7.428 394 HA VAL 53 HA VAL 53 3.921 5.479 -6.586 395 HB VAL 53 HB VAL 53 4.084 3.774 -8.442 396 1HG1 VAL 53 HG11 VAL 53 3.190 5.299 -10.150 397 2HG1 VAL 53 HG12 VAL 53 3.777 6.674 -9.213 398 3HG1 VAL 53 HG13 VAL 53 2.521 5.628 -8.551 399 1HG2 VAL 53 HG21 VAL 53 5.427 4.384 -10.409 400 2HG2 VAL 53 HG22 VAL 53 6.435 4.039 -9.003 401 3HG2 VAL 53 HG23 VAL 53 6.149 5.709 -9.494 402 H LEU 54 HN LEU 54 4.098 4.047 -5.039 403 HA LEU 54 HA LEU 54 6.489 2.404 -4.772 404 1HB LEU 54 HB2 LEU 54 3.971 2.392 -3.103 405 2HB LEU 54 HB1 LEU 54 5.492 1.619 -2.702 406 HG LEU 54 HG LEU 54 4.992 4.591 -2.869 407 1HD1 LEU 54 HD11 LEU 54 5.405 4.541 -0.465 408 2HD1 LEU 54 HD12 LEU 54 5.560 2.785 -0.525 409 3HD1 LEU 54 HD13 LEU 54 4.014 3.547 -0.902 410 1HD2 LEU 54 HD21 LEU 54 7.507 3.097 -2.134 411 2HD2 LEU 54 HD22 LEU 54 7.273 4.844 -2.058 412 3HD2 LEU 54 HD23 LEU 54 7.249 4.018 -3.616 413 H SER 55 HN SER 55 3.415 2.312 -6.170 414 HA SER 55 HA SER 55 2.668 -0.367 -5.831 415 1HB SER 55 HB2 SER 55 1.928 1.427 -8.146 416 2HB SER 55 HB1 SER 55 0.990 0.090 -7.477 417 HG SER 55 HG SER 55 0.100 1.791 -6.496 418 H ARG 56 HN ARG 56 4.875 1.124 -8.052 419 HA ARG 56 HA ARG 56 4.929 -1.213 -9.793 420 1HB ARG 56 HB2 ARG 56 6.233 1.502 -9.944 421 2HB ARG 56 HB1 ARG 56 6.635 0.202 -11.059 422 1HG ARG 56 HG2 ARG 56 3.766 0.687 -10.810 423 2HG ARG 56 HG1 ARG 56 4.676 2.065 -11.431 424 1HD ARG 56 HD2 ARG 56 3.866 0.606 -13.232 425 2HD ARG 56 HD1 ARG 56 5.625 0.686 -13.185 426 HE ARG 56 HE ARG 56 4.792 -1.544 -11.699 427 1HH1 ARG 56 HH11 ARG 56 4.784 -0.422 -15.006 428 2HH1 ARG 56 HH12 ARG 56 4.933 -2.007 -15.691 429 1HH2 ARG 56 HH21 ARG 56 5.022 -3.644 -12.576 430 2HH2 ARG 56 HH22 ARG 56 5.084 -3.851 -14.306 431 H GLY 57 HN GLY 57 5.759 -1.715 -7.183 432 1HA GLY 57 HA2 GLY 57 8.603 -2.324 -7.639 433 2HA GLY 57 HA1 GLY 57 8.075 -1.648 -6.103 434 H LEU 58 HN LEU 58 9.393 -4.035 -6.103 435 HA LEU 58 HA LEU 58 7.405 -6.168 -6.156 436 1HB LEU 58 HB2 LEU 58 9.200 -7.720 -6.009 437 2HB LEU 58 HB1 LEU 58 9.637 -6.520 -7.204 438 HG LEU 58 HG LEU 58 10.649 -6.379 -4.369 439 1HD1 LEU 58 HD11 LEU 58 12.691 -7.473 -5.161 440 2HD1 LEU 58 HD12 LEU 58 11.929 -7.764 -6.725 441 3HD1 LEU 58 HD13 LEU 58 11.295 -8.545 -5.275 442 1HD2 LEU 58 HD21 LEU 58 10.859 -4.339 -5.681 443 2HD2 LEU 58 HD22 LEU 58 11.655 -5.235 -6.975 444 3HD2 LEU 58 HD23 LEU 58 12.443 -5.065 -5.406 445 H ILE 59 HN ILE 59 7.046 -7.560 -4.404 446 HA ILE 59 HA ILE 59 7.517 -6.306 -1.781 447 HB ILE 59 HB ILE 59 5.441 -8.369 -2.556 448 1HG1 ILE 59 HG12 ILE 59 5.087 -5.414 -1.993 449 2HG1 ILE 59 HG11 ILE 59 5.080 -6.135 -3.598 450 1HG2 ILE 59 HG21 ILE 59 5.788 -6.787 -0.010 451 2HG2 ILE 59 HG22 ILE 59 6.096 -8.512 -0.212 452 3HG2 ILE 59 HG23 ILE 59 4.455 -7.887 -0.366 453 1HD1 ILE 59 HD11 ILE 59 2.826 -5.707 -2.834 454 2HD1 ILE 59 HD12 ILE 59 3.105 -6.691 -1.397 455 3HD1 ILE 59 HD13 ILE 59 3.102 -7.442 -2.994 456 H ALA 60 HN ALA 60 8.962 -7.271 -0.491 457 HA ALA 60 HA ALA 60 9.598 -10.104 -1.010 458 1HB ALA 60 HB1 ALA 60 11.549 -7.922 -0.290 459 2HB ALA 60 HB2 ALA 60 11.355 -8.642 -1.888 460 3HB ALA 60 HB3 ALA 60 11.938 -9.624 -0.544 461 H GLU 61 HN GLU 61 10.289 -11.342 0.772 462 HA GLU 61 HA GLU 61 9.167 -10.466 3.302 463 1HB GLU 61 HB2 GLU 61 8.880 -12.800 2.409 464 2HB GLU 61 HB1 GLU 61 10.601 -13.053 2.670 465 1HG GLU 61 HG2 GLU 61 9.942 -12.214 5.108 466 2HG GLU 61 HG1 GLU 61 8.387 -12.886 4.620 467 H HIS 62 HN HIS 62 10.307 -9.576 4.892 468 HA HIS 62 HA HIS 62 13.180 -9.320 4.614 469 1HB HIS 62 HB2 HIS 62 11.872 -7.365 5.233 470 2HB HIS 62 HB1 HIS 62 11.228 -8.204 6.634 471 HD1 HIS 62 HD1 HIS 62 12.122 -6.932 8.535 472 HD2 HIS 62 HD2 HIS 62 15.061 -7.761 5.702 473 HE1 HIS 62 HE1 HIS 62 14.289 -6.116 9.535 474 HE2 HIS 62 HE2 HIS 62 16.070 -6.735 7.861 475 H GLN 63 HN GLN 63 11.323 -9.925 7.587 476 HA GLN 63 HA GLN 63 12.940 -12.351 8.058 477 1HB GLN 63 HB2 GLN 63 12.194 -10.308 10.160 478 2HB GLN 63 HB1 GLN 63 13.149 -11.763 10.409 479 1HG GLN 63 HG2 GLN 63 14.944 -10.878 9.084 480 2HG GLN 63 HG1 GLN 63 13.976 -9.471 8.646 481 1HE2 GLN 63 HE21 GLN 63 12.855 -9.278 11.355 482 2HE2 GLN 63 HE22 GLN 63 14.114 -8.598 12.332 483 H GLY 64 HN GLY 64 10.104 -11.421 7.247 484 1HA GLY 64 HA2 GLY 64 8.443 -13.373 7.774 485 2HA GLY 64 HA1 GLY 64 8.498 -12.631 9.371 486 H GLU 65 HN GLU 65 8.850 -9.958 8.301 487 HA GLU 65 HA GLU 65 6.081 -9.417 7.567 488 1HB GLU 65 HB2 GLU 65 7.530 -6.993 7.726 489 2HB GLU 65 HB1 GLU 65 6.347 -7.617 8.863 490 1HG GLU 65 HG2 GLU 65 8.262 -7.110 10.126 491 2HG GLU 65 HG1 GLU 65 8.239 -8.863 9.969 492 H LEU 66 HN LEU 66 5.530 -8.159 5.737 493 HA LEU 66 HA LEU 66 7.345 -8.647 3.514 494 1HB LEU 66 HB2 LEU 66 4.443 -7.823 3.565 495 2HB LEU 66 HB1 LEU 66 5.371 -8.125 2.107 496 HG LEU 66 HG LEU 66 4.773 -10.180 4.242 497 1HD1 LEU 66 HD11 LEU 66 3.301 -11.177 2.562 498 2HD1 LEU 66 HD12 LEU 66 3.613 -9.817 1.484 499 3HD1 LEU 66 HD13 LEU 66 2.773 -9.557 3.014 500 1HD2 LEU 66 HD21 LEU 66 5.670 -11.782 2.616 501 2HD2 LEU 66 HD22 LEU 66 6.887 -10.606 3.110 502 3HD2 LEU 66 HD23 LEU 66 6.094 -10.448 1.542 503 H TRP 67 HN TRP 67 8.550 -7.133 2.698 504 HA TRP 67 HA TRP 67 7.814 -4.309 3.105 505 1HB TRP 67 HB2 TRP 67 10.510 -5.627 2.746 506 2HB TRP 67 HB1 TRP 67 10.274 -3.889 2.625 507 HD1 TRP 67 HD1 TRP 67 9.535 -6.644 5.280 508 HE1 TRP 67 HE1 TRP 67 10.085 -5.665 7.602 509 HE3 TRP 67 HE3 TRP 67 10.864 -1.920 3.855 510 HZ2 TRP 67 HZ2 TRP 67 10.966 -3.198 8.672 511 HZ3 TRP 67 HZ3 TRP 67 11.544 -0.312 5.585 512 HH2 TRP 67 HH2 TRP 67 11.592 -0.938 7.944 513 H VAL 68 HN VAL 68 7.450 -3.084 1.346 514 HA VAL 68 HA VAL 68 7.872 -4.317 -1.276 515 HB VAL 68 HB VAL 68 5.619 -3.425 -0.822 516 1HG1 VAL 68 HG11 VAL 68 6.977 -0.742 -0.647 517 2HG1 VAL 68 HG12 VAL 68 6.199 -1.605 0.680 518 3HG1 VAL 68 HG13 VAL 68 5.236 -1.016 -0.674 519 1HG2 VAL 68 HG21 VAL 68 5.371 -2.097 -2.870 520 2HG2 VAL 68 HG22 VAL 68 6.404 -3.506 -3.117 521 3HG2 VAL 68 HG23 VAL 68 7.122 -1.904 -2.948 522 H ALA 69 HN ALA 69 9.241 -3.474 -2.775 523 HA ALA 69 HA ALA 69 10.772 -1.088 -1.988 524 1HB ALA 69 HB1 ALA 69 12.078 -3.096 -1.466 525 2HB ALA 69 HB2 ALA 69 12.827 -2.141 -2.745 526 3HB ALA 69 HB3 ALA 69 11.942 -3.614 -3.146 527 H SER 70 HN SER 70 10.519 0.420 -3.467 528 HA SER 70 HA SER 70 9.762 -0.222 -6.173 529 1HB SER 70 HB2 SER 70 10.455 2.474 -4.984 530 2HB SER 70 HB1 SER 70 9.595 2.177 -6.495 531 HG SER 70 HG SER 70 8.135 2.652 -4.836 532 HA PRO 71 HA PRO 71 13.867 -0.517 -7.718 533 1HB PRO 71 HB2 PRO 71 12.842 0.089 -10.381 534 2HB PRO 71 HB1 PRO 71 13.449 -1.438 -9.739 535 1HG PRO 71 HG2 PRO 71 10.838 -1.040 -10.329 536 2HG PRO 71 HG1 PRO 71 11.375 -2.117 -9.028 537 1HD PRO 71 HD2 PRO 71 10.330 0.686 -8.856 538 2HD PRO 71 HD1 PRO 71 9.975 -0.715 -7.821 539 H LEU 72 HN LEU 72 12.713 2.295 -7.064 540 HA LEU 72 HA LEU 72 14.115 3.941 -8.993 541 1HB LEU 72 HB2 LEU 72 12.692 4.694 -6.436 542 2HB LEU 72 HB1 LEU 72 13.362 5.832 -7.589 543 HG LEU 72 HG LEU 72 11.085 3.918 -8.112 544 1HD1 LEU 72 HD11 LEU 72 10.462 5.769 -6.650 545 2HD1 LEU 72 HD12 LEU 72 9.720 5.944 -8.240 546 3HD1 LEU 72 HD13 LEU 72 11.125 6.920 -7.809 547 1HD2 LEU 72 HD21 LEU 72 12.425 4.268 -10.116 548 2HD2 LEU 72 HD22 LEU 72 12.321 6.015 -9.894 549 3HD2 LEU 72 HD23 LEU 72 10.866 5.085 -10.255 550 H LYS 73 HN LYS 73 14.230 4.385 -5.494 551 HA LYS 73 HA LYS 73 17.168 4.331 -5.670 552 1HB LYS 73 HB2 LYS 73 15.308 5.951 -3.953 553 2HB LYS 73 HB1 LYS 73 17.001 5.742 -3.529 554 1HG LYS 73 HG2 LYS 73 17.652 6.739 -5.670 555 2HG LYS 73 HG1 LYS 73 15.947 6.970 -6.072 556 1HD LYS 73 HD2 LYS 73 15.659 8.484 -4.233 557 2HD LYS 73 HD1 LYS 73 17.284 8.142 -3.638 558 1HE LYS 73 HE2 LYS 73 16.684 9.388 -6.316 559 2HE LYS 73 HE1 LYS 73 17.075 10.306 -4.863 560 1HZ LYS 73 HZ1 LYS 73 19.022 9.985 -6.247 561 2HZ LYS 73 HZ2 LYS 73 18.837 8.303 -6.173 562 3HZ LYS 73 HZ3 LYS 73 19.212 9.175 -4.769 563 H LYS 74 HN LYS 74 15.299 2.094 -5.202 564 HA LYS 74 HA LYS 74 15.245 0.168 -4.000 565 1HB LYS 74 HB2 LYS 74 17.624 1.162 -2.433 566 2HB LYS 74 HB1 LYS 74 17.160 -0.499 -2.756 567 1HG LYS 74 HG2 LYS 74 18.177 1.467 -4.797 568 2HG LYS 74 HG1 LYS 74 19.112 0.174 -4.052 569 1HD LYS 74 HD2 LYS 74 17.649 -1.488 -5.069 570 2HD LYS 74 HD1 LYS 74 16.660 -0.205 -5.772 571 1HE LYS 74 HE2 LYS 74 18.592 0.577 -7.057 572 2HE LYS 74 HE1 LYS 74 19.580 -0.699 -6.352 573 1HZ LYS 74 HZ1 LYS 74 18.271 -2.347 -7.455 574 2HZ LYS 74 HZ2 LYS 74 18.750 -1.201 -8.607 575 3HZ LYS 74 HZ3 LYS 74 17.164 -1.188 -8.010 576 H GLN 75 HN GLN 75 13.810 2.518 -3.102 577 HA GLN 75 HA GLN 75 13.933 2.878 -0.317 578 1HB GLN 75 HB2 GLN 75 11.620 3.839 -0.614 579 2HB GLN 75 HB1 GLN 75 12.869 4.551 -1.629 580 1HG GLN 75 HG2 GLN 75 12.123 3.114 -3.492 581 2HG GLN 75 HG1 GLN 75 10.822 2.512 -2.469 582 1HE2 GLN 75 HE21 GLN 75 10.405 5.126 -1.225 583 2HE2 GLN 75 HE22 GLN 75 9.558 6.076 -2.399 584 H ARG 76 HN ARG 76 12.711 2.043 1.365 585 HA ARG 76 HA ARG 76 11.467 -0.575 0.763 586 1HB ARG 76 HB2 ARG 76 13.291 0.151 3.061 587 2HB ARG 76 HB1 ARG 76 12.493 -1.402 2.853 588 1HG ARG 76 HG2 ARG 76 13.820 -1.982 1.033 589 2HG ARG 76 HG1 ARG 76 14.305 -0.311 0.736 590 1HD ARG 76 HD2 ARG 76 15.098 -1.959 3.134 591 2HD ARG 76 HD1 ARG 76 16.112 -1.664 1.723 592 HE ARG 76 HE ARG 76 15.308 0.817 2.714 593 1HH1 ARG 76 HH11 ARG 76 17.305 -1.899 3.715 594 2HH1 ARG 76 HH12 ARG 76 18.320 -0.914 4.729 595 1HH2 ARG 76 HH21 ARG 76 16.628 2.084 4.026 596 2HH2 ARG 76 HH22 ARG 76 17.933 1.340 4.925 597 H PHE 77 HN PHE 77 9.423 -0.703 1.417 598 HA PHE 77 HA PHE 77 8.593 0.876 3.768 599 1HB PHE 77 HB2 PHE 77 7.076 0.337 1.214 600 2HB PHE 77 HB1 PHE 77 6.309 0.944 2.675 601 HD1 PHE 77 HD1 PHE 77 6.221 3.215 3.083 602 HD2 PHE 77 HD2 PHE 77 9.024 1.716 0.256 603 HE1 PHE 77 HE1 PHE 77 6.790 5.517 2.434 604 HE2 PHE 77 HE2 PHE 77 9.600 4.014 -0.398 605 HZ PHE 77 HZ PHE 77 8.483 5.918 0.692 606 H ARG 78 HN ARG 78 7.606 -0.192 5.361 607 HA ARG 78 HA ARG 78 7.191 -3.060 5.067 608 1HB ARG 78 HB2 ARG 78 8.360 -2.226 7.060 609 2HB ARG 78 HB1 ARG 78 6.956 -1.261 7.493 610 1HG ARG 78 HG2 ARG 78 5.645 -3.299 7.794 611 2HG ARG 78 HG1 ARG 78 7.050 -4.270 7.352 612 1HD ARG 78 HD2 ARG 78 6.777 -4.176 9.772 613 2HD ARG 78 HD1 ARG 78 8.270 -3.388 9.273 614 HE ARG 78 HE ARG 78 6.838 -1.257 9.464 615 1HH1 ARG 78 HH11 ARG 78 6.451 -4.099 11.471 616 2HH1 ARG 78 HH12 ARG 78 5.956 -3.192 12.877 617 1HH2 ARG 78 HH21 ARG 78 6.155 -0.060 11.326 618 2HH2 ARG 78 HH22 ARG 78 5.741 -0.918 12.777 619 H LEU 79 HN LEU 79 5.332 -3.607 4.148 620 HA LEU 79 HA LEU 79 3.065 -1.961 3.949 621 1HB LEU 79 HB2 LEU 79 3.358 -4.936 3.560 622 2HB LEU 79 HB1 LEU 79 1.935 -4.017 3.107 623 HG LEU 79 HG LEU 79 4.692 -3.563 1.973 624 1HD1 LEU 79 HD11 LEU 79 2.308 -4.965 0.772 625 2HD1 LEU 79 HD12 LEU 79 3.787 -5.747 1.330 626 3HD1 LEU 79 HD13 LEU 79 3.839 -4.635 -0.039 627 1HD2 LEU 79 HD21 LEU 79 3.521 -2.194 0.332 628 2HD2 LEU 79 HD22 LEU 79 3.261 -1.578 1.964 629 3HD2 LEU 79 HD23 LEU 79 1.992 -2.498 1.156 630 H SER 80 HN SER 80 4.047 -4.100 6.439 631 HA SER 80 HA SER 80 1.604 -5.043 7.376 632 1HB SER 80 HB2 SER 80 3.915 -5.822 8.043 633 2HB SER 80 HB1 SER 80 4.000 -4.417 9.105 634 HG SER 80 HG SER 80 2.340 -6.686 9.260 635 H ASP 81 HN ASP 81 3.394 -2.103 8.357 636 HA ASP 81 HA ASP 81 0.911 -1.188 9.648 637 1HB ASP 81 HB2 ASP 81 2.663 -1.967 11.284 638 2HB ASP 81 HB1 ASP 81 3.680 -0.644 10.727 639 H GLY 82 HN GLY 82 3.275 -0.540 7.344 640 1HA GLY 82 HA2 GLY 82 3.025 1.242 5.807 641 2HA GLY 82 HA1 GLY 82 2.185 2.161 7.046 642 H LEU 83 HN LEU 83 5.003 0.710 8.222 643 HA LEU 83 HA LEU 83 6.290 3.249 8.535 644 1HB LEU 83 HB2 LEU 83 6.533 1.524 10.253 645 2HB LEU 83 HB1 LEU 83 7.322 0.464 9.096 646 HG LEU 83 HG LEU 83 9.024 2.444 8.875 647 1HD1 LEU 83 HD11 LEU 83 7.881 2.942 11.613 648 2HD1 LEU 83 HD12 LEU 83 7.778 4.026 10.225 649 3HD1 LEU 83 HD13 LEU 83 9.345 3.672 10.953 650 1HD2 LEU 83 HD21 LEU 83 8.961 0.596 11.252 651 2HD2 LEU 83 HD22 LEU 83 10.380 1.480 10.680 652 3HD2 LEU 83 HD23 LEU 83 9.635 0.249 9.659 653 H CYS 84 HN CYS 84 7.871 4.144 7.344 654 HA CYS 84 HA CYS 84 8.961 2.604 5.098 655 1HB CYS 84 HB2 CYS 84 8.090 4.868 4.608 656 2HB CYS 84 HB1 CYS 84 9.227 5.552 5.765 657 HG CYS 84 HG CYS 84 10.181 6.139 3.209 658 H MET 85 HN MET 85 11.282 2.456 4.834 659 HA MET 85 HA MET 85 12.673 2.319 7.369 660 1HB MET 85 HB2 MET 85 12.863 0.888 5.052 661 2HB MET 85 HB1 MET 85 14.227 1.984 4.888 662 1HG MET 85 HG2 MET 85 13.717 0.098 7.177 663 2HG MET 85 HG1 MET 85 14.916 -0.098 5.902 664 1HE MET 85 HE1 MET 85 15.456 -0.262 9.059 665 2HE MET 85 HE2 MET 85 16.991 0.600 9.182 666 3HE MET 85 HE3 MET 85 16.719 -0.532 7.856 667 H GLU 86 HN GLU 86 12.860 4.170 4.377 668 HA GLU 86 HA GLU 86 15.052 5.791 5.257 669 1HB GLU 86 HB2 GLU 86 13.160 6.021 2.910 670 2HB GLU 86 HB1 GLU 86 14.504 7.118 3.184 671 1HG GLU 86 HG2 GLU 86 15.109 5.462 1.542 672 2HG GLU 86 HG1 GLU 86 16.068 5.234 3.002 673 H ASP 87 HN ASP 87 11.576 6.266 4.844 674 HA ASP 87 HA ASP 87 11.672 8.952 5.944 675 1HB ASP 87 HB2 ASP 87 9.304 7.282 5.064 676 2HB ASP 87 HB1 ASP 87 9.227 8.965 5.562 677 H GLU 88 HN GLU 88 12.138 6.314 7.524 678 HA GLU 88 HA GLU 88 10.107 5.282 8.888 679 1HB GLU 88 HB2 GLU 88 11.606 4.763 10.759 680 2HB GLU 88 HB1 GLU 88 12.345 4.475 9.192 681 1HG GLU 88 HG2 GLU 88 13.734 6.361 9.388 682 2HG GLU 88 HG1 GLU 88 12.815 6.990 10.754 683 H GLN 89 HN GLN 89 11.616 8.333 10.025 684 HA GLN 89 HA GLN 89 10.155 8.457 12.426 685 1HB GLN 89 HB2 GLN 89 11.368 10.685 10.792 686 2HB GLN 89 HB1 GLN 89 10.691 10.899 12.399 687 1HG GLN 89 HG2 GLN 89 12.340 9.119 13.158 688 2HG GLN 89 HG1 GLN 89 13.123 9.346 11.595 689 1HE2 GLN 89 HE21 GLN 89 12.395 10.759 14.674 690 2HE2 GLN 89 HE22 GLN 89 13.494 12.089 14.556 691 H PHE 90 HN PHE 90 9.318 9.393 9.179 692 HA PHE 90 HA PHE 90 6.807 10.590 10.137 693 1HB PHE 90 HB2 PHE 90 8.023 10.708 7.366 694 2HB PHE 90 HB1 PHE 90 6.609 11.593 7.926 695 HD1 PHE 90 HD1 PHE 90 6.907 13.347 9.704 696 HD2 PHE 90 HD2 PHE 90 10.185 11.555 7.668 697 HE1 PHE 90 HE1 PHE 90 8.352 15.218 10.388 698 HE2 PHE 90 HE2 PHE 90 11.637 13.421 8.348 699 HZ PHE 90 HZ PHE 90 10.719 15.256 9.710 700 H SER 91 HN SER 91 8.007 8.530 7.501 701 HA SER 91 HA SER 91 7.152 6.763 6.390 702 1HB SER 91 HB2 SER 91 5.544 6.443 8.930 703 2HB SER 91 HB1 SER 91 5.625 5.239 7.643 704 HG SER 91 HG SER 91 7.621 6.077 9.441 705 H VAL 92 HN VAL 92 4.721 5.674 5.999 706 HA VAL 92 HA VAL 92 3.177 7.951 4.968 707 HB VAL 92 HB VAL 92 2.204 6.348 3.345 708 1HG1 VAL 92 HG11 VAL 92 4.196 6.129 1.935 709 2HG1 VAL 92 HG12 VAL 92 5.219 6.479 3.328 710 3HG1 VAL 92 HG13 VAL 92 4.118 7.711 2.710 711 1HG2 VAL 92 HG21 VAL 92 2.481 4.295 4.639 712 2HG2 VAL 92 HG22 VAL 92 4.232 4.419 4.476 713 3HG2 VAL 92 HG23 VAL 92 3.231 4.146 3.049 714 H LYS 93 HN LYS 93 0.766 7.433 4.763 715 HA LYS 93 HA LYS 93 -0.114 6.628 7.395 716 1HB LYS 93 HB2 LYS 93 -1.373 8.027 5.086 717 2HB LYS 93 HB1 LYS 93 -2.422 7.227 6.248 718 1HG LYS 93 HG2 LYS 93 -0.363 9.324 6.917 719 2HG LYS 93 HG1 LYS 93 -2.100 9.601 6.766 720 1HD LYS 93 HD2 LYS 93 -2.469 7.943 8.576 721 2HD LYS 93 HD1 LYS 93 -0.721 7.816 8.770 722 1HE LYS 93 HE2 LYS 93 -2.351 10.328 9.121 723 2HE LYS 93 HE1 LYS 93 -1.725 9.323 10.424 724 1HZ LYS 93 HZ1 LYS 93 -0.281 11.173 10.114 725 2HZ LYS 93 HZ2 LYS 93 -0.141 10.877 8.453 726 3HZ LYS 93 HZ3 LYS 93 0.534 9.787 9.569 727 H HIS 94 HN HIS 94 -1.021 4.792 7.938 728 HA HIS 94 HA HIS 94 -1.337 2.704 5.958 729 1HB HIS 94 HB2 HIS 94 -0.324 2.249 8.183 730 2HB HIS 94 HB1 HIS 94 -1.858 2.652 8.943 731 HD1 HIS 94 HD1 HIS 94 -3.842 0.919 8.611 732 HD2 HIS 94 HD2 HIS 94 -0.137 -0.297 7.132 733 HE1 HIS 94 HE1 HIS 94 -4.036 -1.556 8.222 734 HE2 HIS 94 HE2 HIS 94 -1.726 -2.292 7.538 735 H TYR 95 HN TYR 95 -3.147 2.627 4.820 736 HA TYR 95 HA TYR 95 -5.634 3.596 6.022 737 1HB TYR 95 HB2 TYR 95 -5.071 2.875 3.138 738 2HB TYR 95 HB1 TYR 95 -6.517 3.668 3.755 739 HD1 TYR 95 HD1 TYR 95 -3.716 4.284 1.938 740 HD2 TYR 95 HD2 TYR 95 -5.729 5.825 5.346 741 HE1 TYR 95 HE1 TYR 95 -2.647 6.469 1.574 742 HE2 TYR 95 HE2 TYR 95 -4.672 8.015 4.991 743 HH TYR 95 HH TYR 95 -3.236 8.943 2.201 744 H GLU 96 HN GLU 96 -7.378 2.288 6.307 745 HA GLU 96 HA GLU 96 -6.808 -0.534 6.433 746 1HB GLU 96 HB2 GLU 96 -9.106 1.188 7.307 747 2HB GLU 96 HB1 GLU 96 -9.278 -0.560 7.253 748 1HG GLU 96 HG2 GLU 96 -8.700 0.229 9.484 749 2HG GLU 96 HG1 GLU 96 -7.453 -0.822 8.820 750 H ALA 97 HN ALA 97 -7.042 -1.809 4.777 751 HA ALA 97 HA ALA 97 -9.098 -1.203 2.768 752 1HB ALA 97 HB1 ALA 97 -7.746 -2.481 1.189 753 2HB ALA 97 HB2 ALA 97 -6.572 -2.830 2.457 754 3HB ALA 97 HB3 ALA 97 -6.802 -1.173 1.900 755 H ARG 98 HN ARG 98 -10.701 -2.633 2.467 756 HA ARG 98 HA ARG 98 -10.360 -5.333 3.584 757 1HB ARG 98 HB2 ARG 98 -12.591 -5.317 4.504 758 2HB ARG 98 HB1 ARG 98 -11.713 -3.930 5.140 759 1HG ARG 98 HG2 ARG 98 -12.851 -2.459 3.590 760 2HG ARG 98 HG1 ARG 98 -13.677 -3.837 2.858 761 1HD ARG 98 HD2 ARG 98 -14.781 -4.304 4.986 762 2HD ARG 98 HD1 ARG 98 -13.953 -2.931 5.720 763 HE ARG 98 HE ARG 98 -15.371 -2.057 3.455 764 1HH1 ARG 98 HH11 ARG 98 -15.936 -3.235 6.703 765 2HH1 ARG 98 HH12 ARG 98 -17.442 -2.381 6.884 766 1HH2 ARG 98 HH21 ARG 98 -17.331 -0.935 3.678 767 2HH2 ARG 98 HH22 ARG 98 -18.246 -1.067 5.154 768 H VAL 99 HN VAL 99 -11.843 -6.907 2.703 769 HA VAL 99 HA VAL 99 -12.508 -6.301 -0.098 770 HB VAL 99 HB VAL 99 -12.106 -9.021 1.160 771 1HG1 VAL 99 HG11 VAL 99 -13.502 -9.050 -0.836 772 2HG1 VAL 99 HG12 VAL 99 -11.934 -9.793 -1.159 773 3HG1 VAL 99 HG13 VAL 99 -12.268 -8.156 -1.724 774 1HG2 VAL 99 HG21 VAL 99 -9.925 -9.040 0.047 775 2HG2 VAL 99 HG22 VAL 99 -10.033 -7.754 1.250 776 3HG2 VAL 99 HG23 VAL 99 -10.179 -7.372 -0.465 777 H LYS 100 HN LYS 100 -14.559 -5.575 0.016 778 HA LYS 100 HA LYS 100 -16.524 -7.024 1.634 779 1HB LYS 100 HB2 LYS 100 -16.497 -4.608 1.874 780 2HB LYS 100 HB1 LYS 100 -16.674 -4.401 0.139 781 1HG LYS 100 HG2 LYS 100 -18.885 -5.537 0.298 782 2HG LYS 100 HG1 LYS 100 -18.706 -5.513 2.054 783 1HD LYS 100 HD2 LYS 100 -18.817 -3.179 2.150 784 2HD LYS 100 HD1 LYS 100 -18.477 -3.005 0.426 785 1HE LYS 100 HE2 LYS 100 -20.988 -4.132 1.653 786 2HE LYS 100 HE1 LYS 100 -20.820 -2.557 0.873 787 1HZ LYS 100 HZ1 LYS 100 -21.796 -4.124 -0.654 788 2HZ LYS 100 HZ2 LYS 100 -20.518 -5.209 -0.427 789 3HZ LYS 100 HZ3 LYS 100 -20.236 -3.724 -1.196 790 H ASP 101 HN ASP 101 -17.304 -8.756 0.609 791 HA ASP 101 HA ASP 101 -18.424 -10.039 -0.905 792 1HB ASP 101 HB2 ASP 101 -19.982 -8.102 -0.979 793 2HB ASP 101 HB1 ASP 101 -19.041 -7.417 -2.296 794 H GLY 102 HN GLY 102 -15.632 -8.593 -1.468 795 1HA GLY 102 HA2 GLY 102 -14.061 -9.585 -3.041 796 2HA GLY 102 HA1 GLY 102 -15.372 -9.650 -4.210 797 H VAL 103 HN VAL 103 -15.652 -6.809 -2.544 798 HA VAL 103 HA VAL 103 -14.273 -5.306 -4.676 799 HB VAL 103 HB VAL 103 -16.433 -4.417 -2.741 800 1HG1 VAL 103 HG11 VAL 103 -16.584 -2.410 -4.123 801 2HG1 VAL 103 HG12 VAL 103 -15.229 -2.978 -5.101 802 3HG1 VAL 103 HG13 VAL 103 -14.984 -2.572 -3.402 803 1HG2 VAL 103 HG21 VAL 103 -16.586 -5.079 -5.677 804 2HG2 VAL 103 HG22 VAL 103 -17.895 -4.401 -4.711 805 3HG2 VAL 103 HG23 VAL 103 -17.282 -6.016 -4.355 806 H VAL 104 HN VAL 104 -12.689 -3.837 -4.162 807 HA VAL 104 HA VAL 104 -11.530 -3.979 -1.510 808 HB VAL 104 HB VAL 104 -10.626 -2.207 -3.788 809 1HG1 VAL 104 HG11 VAL 104 -8.451 -2.341 -2.680 810 2HG1 VAL 104 HG12 VAL 104 -9.150 -3.358 -1.420 811 3HG1 VAL 104 HG13 VAL 104 -9.685 -1.688 -1.603 812 1HG2 VAL 104 HG21 VAL 104 -9.831 -5.069 -3.229 813 2HG2 VAL 104 HG22 VAL 104 -9.062 -4.006 -4.409 814 3HG2 VAL 104 HG23 VAL 104 -10.745 -4.489 -4.623 815 H GLN 105 HN GLN 105 -12.294 -2.681 0.063 816 HA GLN 105 HA GLN 105 -13.057 0.056 -0.712 817 1HB GLN 105 HB2 GLN 105 -14.063 -1.623 1.584 818 2HB GLN 105 HB1 GLN 105 -14.377 0.101 1.429 819 1HG GLN 105 HG2 GLN 105 -15.345 -0.469 -0.866 820 2HG GLN 105 HG1 GLN 105 -15.343 -2.140 -0.305 821 1HE2 GLN 105 HE21 GLN 105 -17.563 -0.395 -1.008 822 2HE2 GLN 105 HE22 GLN 105 -18.580 -0.309 0.390 823 H LEU 106 HN LEU 106 -12.041 1.720 0.172 824 HA LEU 106 HA LEU 106 -9.867 1.110 2.058 825 1HB LEU 106 HB2 LEU 106 -10.151 3.381 0.093 826 2HB LEU 106 HB1 LEU 106 -8.809 3.174 1.201 827 HG LEU 106 HG LEU 106 -9.526 1.310 -1.063 828 1HD1 LEU 106 HD11 LEU 106 -8.618 3.432 -1.834 829 2HD1 LEU 106 HD12 LEU 106 -7.446 2.132 -2.062 830 3HD1 LEU 106 HD13 LEU 106 -7.256 3.267 -0.725 831 1HD2 LEU 106 HD21 LEU 106 -7.219 1.267 0.878 832 2HD2 LEU 106 HD22 LEU 106 -7.408 0.207 -0.519 833 3HD2 LEU 106 HD23 LEU 106 -8.553 0.117 0.820 834 H ARG 107 HN ARG 107 -9.763 2.100 3.966 835 HA ARG 107 HA ARG 107 -11.456 4.475 4.415 836 1HB ARG 107 HB2 ARG 107 -12.327 2.655 5.739 837 2HB ARG 107 HB1 ARG 107 -10.723 2.256 6.331 838 1HG ARG 107 HG2 ARG 107 -10.677 4.504 7.433 839 2HG ARG 107 HG1 ARG 107 -12.383 4.667 7.000 840 1HD ARG 107 HD2 ARG 107 -12.947 2.708 8.262 841 2HD ARG 107 HD1 ARG 107 -11.247 2.375 8.574 842 HE ARG 107 HE ARG 107 -12.927 4.310 9.914 843 1HH1 ARG 107 HH11 ARG 107 -9.656 3.199 9.295 844 2HH1 ARG 107 HH12 ARG 107 -9.004 3.905 10.737 845 1HH2 ARG 107 HH21 ARG 107 -12.067 5.240 11.818 846 2HH2 ARG 107 HH22 ARG 107 -10.366 5.073 12.166 847 H GLY 108 HN GLY 108 -10.186 6.211 4.506 848 1HA GLY 108 HA2 GLY 108 -8.117 6.502 6.379 849 2HA GLY 108 HA1 GLY 108 -7.413 6.152 4.808 850 H GLY 109 HN GLY 109 -6.451 8.257 4.954 851 1HA GLY 109 HA2 GLY 109 -6.546 10.303 3.732 852 2HA GLY 109 HA1 GLY 109 -8.285 10.336 3.996 853 H SER 110 HN SER 110 -7.062 12.620 4.523 854 HA SER 110 HA SER 110 -6.368 12.733 7.340 855 1HB SER 110 HB2 SER 110 -6.630 14.955 5.292 856 2HB SER 110 HB1 SER 110 -5.977 15.129 6.919 857 HG SER 110 HG SER 110 -4.798 13.133 5.416 Start of MODEL 16 1 HA MET 1 HA MET 1 -16.859 8.755 10.328 2 1HB MET 1 HB2 MET 1 -15.914 7.824 12.342 3 2HB MET 1 HB1 MET 1 -17.626 8.121 12.604 4 1HG MET 1 HG2 MET 1 -18.108 5.764 12.300 5 2HG MET 1 HG1 MET 1 -16.409 5.444 11.955 6 1HE MET 1 HE1 MET 1 -17.988 3.791 14.123 7 2HE MET 1 HE2 MET 1 -16.828 3.770 15.452 8 3HE MET 1 HE3 MET 1 -16.271 3.563 13.791 9 H SER 2 HN SER 2 -17.684 5.928 8.849 10 HA SER 2 HA SER 2 -14.873 5.371 8.232 11 1HB SER 2 HB2 SER 2 -16.979 3.219 8.529 12 2HB SER 2 HB1 SER 2 -15.264 2.990 8.216 13 HG SER 2 HG SER 2 -15.515 2.667 10.371 14 H GLN 3 HN GLN 3 -15.272 6.723 6.385 15 HA GLN 3 HA GLN 3 -17.236 5.908 4.455 16 1HB GLN 3 HB2 GLN 3 -16.498 8.279 4.714 17 2HB GLN 3 HB1 GLN 3 -14.919 7.820 4.090 18 1HG GLN 3 HG2 GLN 3 -15.964 7.128 1.983 19 2HG GLN 3 HG1 GLN 3 -17.534 7.628 2.610 20 1HE2 GLN 3 HE21 GLN 3 -14.458 8.685 1.401 21 2HE2 GLN 3 HE22 GLN 3 -14.890 10.354 1.178 22 H TRP 4 HN TRP 4 -16.648 3.717 4.176 23 HA TRP 4 HA TRP 4 -14.135 2.928 3.129 24 1HB TRP 4 HB2 TRP 4 -16.839 1.584 3.101 25 2HB TRP 4 HB1 TRP 4 -15.380 0.828 2.474 26 HD1 TRP 4 HD1 TRP 4 -17.220 1.538 5.686 27 HE1 TRP 4 HE1 TRP 4 -15.946 0.474 7.655 28 HE3 TRP 4 HE3 TRP 4 -12.901 0.266 3.266 29 HZ2 TRP 4 HZ2 TRP 4 -13.441 -0.733 8.118 30 HZ3 TRP 4 HZ3 TRP 4 -11.117 -0.843 4.544 31 HH2 TRP 4 HH2 TRP 4 -11.383 -1.333 6.921 32 H LYS 5 HN LYS 5 -13.455 3.912 1.332 33 HA LYS 5 HA LYS 5 -15.260 4.448 -0.865 34 1HB LYS 5 HB2 LYS 5 -13.459 6.039 -0.263 35 2HB LYS 5 HB1 LYS 5 -12.262 4.817 -0.663 36 1HG LYS 5 HG2 LYS 5 -12.490 6.425 -2.463 37 2HG LYS 5 HG1 LYS 5 -13.023 4.826 -2.987 38 1HD LYS 5 HD2 LYS 5 -15.360 5.504 -2.556 39 2HD LYS 5 HD1 LYS 5 -14.790 7.120 -2.136 40 1HE LYS 5 HE2 LYS 5 -13.903 7.415 -4.374 41 2HE LYS 5 HE1 LYS 5 -14.379 5.771 -4.801 42 1HZ LYS 5 HZ1 LYS 5 -16.704 6.435 -4.339 43 2HZ LYS 5 HZ2 LYS 5 -16.008 7.267 -5.642 44 3HZ LYS 5 HZ3 LYS 5 -16.181 8.036 -4.139 45 H ASP 6 HN ASP 6 -15.838 2.785 -2.119 46 HA ASP 6 HA ASP 6 -14.158 0.489 -2.452 47 1HB ASP 6 HB2 ASP 6 -15.926 -0.256 -4.065 48 2HB ASP 6 HB1 ASP 6 -16.529 0.115 -2.454 49 H ILE 7 HN ILE 7 -12.651 0.175 -3.888 50 HA ILE 7 HA ILE 7 -12.124 2.296 -5.831 51 HB ILE 7 HB ILE 7 -10.355 -0.059 -5.168 52 1HG1 ILE 7 HG12 ILE 7 -10.854 1.140 -3.083 53 2HG1 ILE 7 HG11 ILE 7 -9.182 1.393 -3.568 54 1HG2 ILE 7 HG21 ILE 7 -9.751 2.659 -6.322 55 2HG2 ILE 7 HG22 ILE 7 -9.791 1.134 -7.209 56 3HG2 ILE 7 HG23 ILE 7 -8.564 1.403 -5.971 57 1HD1 ILE 7 HD11 ILE 7 -9.783 3.591 -4.454 58 2HD1 ILE 7 HD12 ILE 7 -10.163 3.436 -2.738 59 3HD1 ILE 7 HD13 ILE 7 -11.450 3.330 -3.941 60 H CYS 8 HN CYS 8 -11.381 -1.130 -5.981 61 HA CYS 8 HA CYS 8 -13.013 -1.498 -8.364 62 1HB CYS 8 HB2 CYS 8 -10.056 -2.177 -8.240 63 2HB CYS 8 HB1 CYS 8 -11.143 -2.585 -9.561 64 HG CYS 8 HG CYS 8 -9.759 -0.573 -10.651 65 H LYS 9 HN LYS 9 -12.211 -4.114 -8.928 66 HA LYS 9 HA LYS 9 -13.176 -5.413 -6.510 67 1HB LYS 9 HB2 LYS 9 -12.784 -6.414 -9.330 68 2HB LYS 9 HB1 LYS 9 -13.313 -7.440 -8.001 69 1HG LYS 9 HG2 LYS 9 -15.264 -5.987 -7.674 70 2HG LYS 9 HG1 LYS 9 -14.746 -5.007 -9.047 71 1HD LYS 9 HD2 LYS 9 -15.008 -6.873 -10.539 72 2HD LYS 9 HD1 LYS 9 -15.358 -7.952 -9.187 73 1HE LYS 9 HE2 LYS 9 -17.409 -7.335 -10.323 74 2HE LYS 9 HE1 LYS 9 -17.382 -6.663 -8.694 75 1HZ LYS 9 HZ1 LYS 9 -16.811 -4.521 -9.581 76 2HZ LYS 9 HZ2 LYS 9 -18.188 -5.093 -10.386 77 3HZ LYS 9 HZ3 LYS 9 -16.677 -5.147 -11.151 78 H ILE 10 HN ILE 10 -12.177 -7.359 -5.703 79 HA ILE 10 HA ILE 10 -9.367 -7.046 -5.355 80 HB ILE 10 HB ILE 10 -10.912 -7.982 -3.620 81 1HG1 ILE 10 HG12 ILE 10 -9.358 -9.731 -2.819 82 2HG1 ILE 10 HG11 ILE 10 -8.588 -9.758 -4.402 83 1HG2 ILE 10 HG21 ILE 10 -11.529 -10.353 -3.743 84 2HG2 ILE 10 HG22 ILE 10 -10.874 -10.428 -5.379 85 3HG2 ILE 10 HG23 ILE 10 -12.269 -9.405 -5.033 86 1HD1 ILE 10 HD11 ILE 10 -7.911 -7.425 -4.101 87 2HD1 ILE 10 HD12 ILE 10 -7.280 -8.469 -2.828 88 3HD1 ILE 10 HD13 ILE 10 -8.661 -7.422 -2.505 89 H ASP 11 HN ASP 11 -11.254 -8.488 -7.729 90 HA ASP 11 HA ASP 11 -9.427 -10.513 -8.585 91 1HB ASP 11 HB2 ASP 11 -11.882 -10.479 -9.111 92 2HB ASP 11 HB1 ASP 11 -11.581 -9.123 -10.194 93 H ASP 12 HN ASP 12 -9.866 -7.105 -9.146 94 HA ASP 12 HA ASP 12 -8.147 -6.801 -11.377 95 1HB ASP 12 HB2 ASP 12 -9.003 -4.902 -9.191 96 2HB ASP 12 HB1 ASP 12 -7.911 -4.413 -10.479 97 H ILE 13 HN ILE 13 -7.650 -6.977 -7.937 98 HA ILE 13 HA ILE 13 -4.773 -6.505 -8.271 99 HB ILE 13 HB ILE 13 -6.276 -6.660 -5.658 100 1HG1 ILE 13 HG12 ILE 13 -5.568 -4.160 -7.217 101 2HG1 ILE 13 HG11 ILE 13 -7.186 -4.850 -7.131 102 1HG2 ILE 13 HG21 ILE 13 -3.607 -5.470 -6.410 103 2HG2 ILE 13 HG22 ILE 13 -3.866 -6.967 -5.516 104 3HG2 ILE 13 HG23 ILE 13 -4.336 -5.424 -4.805 105 1HD1 ILE 13 HD11 ILE 13 -6.941 -2.986 -5.602 106 2HD1 ILE 13 HD12 ILE 13 -5.589 -3.794 -4.810 107 3HD1 ILE 13 HD13 ILE 13 -7.208 -4.488 -4.718 108 H LEU 14 HN LEU 14 -4.140 -8.494 -9.009 109 HA LEU 14 HA LEU 14 -4.901 -10.938 -7.772 110 1HB LEU 14 HB2 LEU 14 -2.975 -11.878 -9.117 111 2HB LEU 14 HB1 LEU 14 -4.255 -11.108 -10.028 112 HG LEU 14 HG LEU 14 -1.785 -9.558 -9.325 113 1HD1 LEU 14 HD11 LEU 14 -0.990 -11.649 -10.298 114 2HD1 LEU 14 HD12 LEU 14 -0.763 -10.302 -11.412 115 3HD1 LEU 14 HD13 LEU 14 -2.087 -11.439 -11.664 116 1HD2 LEU 14 HD21 LEU 14 -2.321 -8.416 -11.429 117 2HD2 LEU 14 HD22 LEU 14 -3.672 -8.357 -10.296 118 3HD2 LEU 14 HD23 LEU 14 -3.708 -9.483 -11.653 119 HA PRO 15 HA PRO 15 -2.117 -11.546 -4.380 120 1HB PRO 15 HB2 PRO 15 -0.767 -13.720 -5.918 121 2HB PRO 15 HB1 PRO 15 -1.409 -13.737 -4.269 122 1HG PRO 15 HG2 PRO 15 -2.749 -14.915 -6.231 123 2HG PRO 15 HG1 PRO 15 -3.609 -13.981 -4.990 124 1HD PRO 15 HD2 PRO 15 -2.966 -13.250 -7.813 125 2HD PRO 15 HD1 PRO 15 -4.412 -12.881 -6.852 126 H GLU 16 HN GLU 16 -0.227 -10.756 -3.681 127 HA GLU 16 HA GLU 16 1.654 -9.516 -3.669 128 1HB GLU 16 HB2 GLU 16 2.363 -11.566 -5.755 129 2HB GLU 16 HB1 GLU 16 3.513 -10.359 -5.197 130 1HG GLU 16 HG2 GLU 16 4.034 -12.120 -3.841 131 2HG GLU 16 HG1 GLU 16 2.876 -11.256 -2.835 132 H THR 17 HN THR 17 -0.297 -8.207 -4.941 133 HA THR 17 HA THR 17 1.144 -6.843 -7.114 134 HB THR 17 HB THR 17 -1.824 -7.432 -7.137 135 HG1 THR 17 HG1 THR 17 -0.684 -9.313 -7.590 136 1HG2 THR 17 HG21 THR 17 -1.721 -6.606 -9.453 137 2HG2 THR 17 HG22 THR 17 -0.024 -6.184 -9.219 138 3HG2 THR 17 HG23 THR 17 -1.274 -5.353 -8.292 139 H GLY 18 HN GLY 18 1.129 -4.679 -7.033 140 1HA GLY 18 HA2 GLY 18 -0.651 -3.404 -5.048 141 2HA GLY 18 HA1 GLY 18 1.012 -2.892 -5.309 142 H VAL 19 HN VAL 19 -1.960 -1.883 -5.805 143 HA VAL 19 HA VAL 19 -1.402 -0.810 -8.492 144 HB VAL 19 HB VAL 19 -3.826 -0.571 -8.827 145 1HG1 VAL 19 HG11 VAL 19 -4.355 -2.949 -9.123 146 2HG1 VAL 19 HG12 VAL 19 -2.962 -3.373 -8.126 147 3HG1 VAL 19 HG13 VAL 19 -2.725 -2.560 -9.673 148 1HG2 VAL 19 HG21 VAL 19 -4.078 -2.051 -6.210 149 2HG2 VAL 19 HG22 VAL 19 -5.403 -1.675 -7.310 150 3HG2 VAL 19 HG23 VAL 19 -4.527 -0.372 -6.503 151 H CYS 20 HN CYS 20 -2.007 1.342 -8.916 152 HA CYS 20 HA CYS 20 -1.882 3.029 -6.540 153 1HB CYS 20 HB2 CYS 20 -1.463 4.853 -8.245 154 2HB CYS 20 HB1 CYS 20 -0.241 3.590 -8.167 155 HG CYS 20 HG CYS 20 -1.168 2.260 -10.463 156 H ALA 21 HN ALA 21 -3.656 3.915 -5.728 157 HA ALA 21 HA ALA 21 -5.888 4.509 -7.551 158 1HB ALA 21 HB1 ALA 21 -6.398 2.467 -6.302 159 2HB ALA 21 HB2 ALA 21 -7.471 3.790 -5.845 160 3HB ALA 21 HB3 ALA 21 -6.138 3.330 -4.787 161 H LEU 22 HN LEU 22 -7.468 6.049 -6.527 162 HA LEU 22 HA LEU 22 -6.044 7.987 -4.831 163 1HB LEU 22 HB2 LEU 22 -8.091 8.496 -6.991 164 2HB LEU 22 HB1 LEU 22 -7.482 9.724 -5.899 165 HG LEU 22 HG LEU 22 -5.819 8.191 -7.900 166 1HD1 LEU 22 HD11 LEU 22 -7.334 9.749 -8.983 167 2HD1 LEU 22 HD12 LEU 22 -5.673 10.338 -9.071 168 3HD1 LEU 22 HD13 LEU 22 -6.798 11.042 -7.910 169 1HD2 LEU 22 HD21 LEU 22 -4.543 8.820 -5.920 170 2HD2 LEU 22 HD22 LEU 22 -5.099 10.486 -6.081 171 3HD2 LEU 22 HD23 LEU 22 -4.056 9.781 -7.316 172 H LEU 23 HN LEU 23 -7.050 8.729 -3.049 173 HA LEU 23 HA LEU 23 -9.849 7.916 -2.636 174 1HB LEU 23 HB2 LEU 23 -8.166 6.558 -1.320 175 2HB LEU 23 HB1 LEU 23 -7.732 8.030 -0.481 176 HG LEU 23 HG LEU 23 -10.582 7.088 -0.444 177 1HD1 LEU 23 HD11 LEU 23 -9.249 5.145 0.190 178 2HD1 LEU 23 HD12 LEU 23 -10.092 5.815 1.588 179 3HD1 LEU 23 HD13 LEU 23 -8.369 6.122 1.366 180 1HD2 LEU 23 HD21 LEU 23 -10.045 9.309 0.448 181 2HD2 LEU 23 HD22 LEU 23 -8.864 8.583 1.538 182 3HD2 LEU 23 HD23 LEU 23 -10.579 8.213 1.723 183 H GLY 24 HN GLY 24 -10.718 9.863 -3.161 184 1HA GLY 24 HA2 GLY 24 -11.512 11.973 -2.672 185 2HA GLY 24 HA1 GLY 24 -10.575 11.934 -1.182 186 H ASP 25 HN ASP 25 -8.467 12.682 -1.174 187 HA ASP 25 HA ASP 25 -7.522 13.971 -3.648 188 1HB ASP 25 HB2 ASP 25 -6.622 15.823 -2.330 189 2HB ASP 25 HB1 ASP 25 -8.360 15.684 -2.079 190 H GLU 26 HN GLU 26 -6.959 11.710 -1.278 191 HA GLU 26 HA GLU 26 -4.074 12.085 -1.170 192 1HB GLU 26 HB2 GLU 26 -5.918 11.155 0.668 193 2HB GLU 26 HB1 GLU 26 -5.167 9.677 0.089 194 1HG GLU 26 HG2 GLU 26 -3.721 12.051 1.250 195 2HG GLU 26 HG1 GLU 26 -4.066 10.539 2.085 196 H GLN 27 HN GLN 27 -2.615 10.493 -1.805 197 HA GLN 27 HA GLN 27 -3.586 8.822 -4.018 198 1HB GLN 27 HB2 GLN 27 -0.762 9.649 -3.302 199 2HB GLN 27 HB1 GLN 27 -1.239 8.745 -4.734 200 1HG GLN 27 HG2 GLN 27 -1.603 10.622 -5.835 201 2HG GLN 27 HG1 GLN 27 -2.768 11.142 -4.621 202 1HE2 GLN 27 HE21 GLN 27 -0.757 11.176 -2.488 203 2HE2 GLN 27 HE22 GLN 27 0.220 12.581 -2.773 204 H VAL 28 HN VAL 28 -4.058 6.809 -3.378 205 HA VAL 28 HA VAL 28 -2.555 5.706 -1.101 206 HB VAL 28 HB VAL 28 -5.309 4.906 -2.051 207 1HG1 VAL 28 HG11 VAL 28 -4.160 3.123 -0.877 208 2HG1 VAL 28 HG12 VAL 28 -5.454 3.776 0.127 209 3HG1 VAL 28 HG13 VAL 28 -3.778 4.217 0.453 210 1HG2 VAL 28 HG21 VAL 28 -6.158 6.106 -0.097 211 2HG2 VAL 28 HG22 VAL 28 -5.331 7.194 -1.211 212 3HG2 VAL 28 HG23 VAL 28 -4.527 6.669 0.269 213 H ALA 29 HN ALA 29 -1.344 3.974 -1.402 214 HA ALA 29 HA ALA 29 -1.537 2.520 -3.937 215 1HB ALA 29 HB1 ALA 29 0.568 2.384 -1.777 216 2HB ALA 29 HB2 ALA 29 0.679 3.320 -3.269 217 3HB ALA 29 HB3 ALA 29 0.626 1.559 -3.335 218 H ILE 30 HN ILE 30 -2.580 0.657 -4.019 219 HA ILE 30 HA ILE 30 -3.330 -0.626 -1.478 220 HB ILE 30 HB ILE 30 -4.504 -1.174 -4.207 221 1HG1 ILE 30 HG12 ILE 30 -5.553 0.693 -2.066 222 2HG1 ILE 30 HG11 ILE 30 -4.805 1.208 -3.574 223 1HG2 ILE 30 HG21 ILE 30 -4.861 -2.922 -2.564 224 2HG2 ILE 30 HG22 ILE 30 -6.375 -2.078 -2.894 225 3HG2 ILE 30 HG23 ILE 30 -5.481 -1.741 -1.411 226 1HD1 ILE 30 HD11 ILE 30 -7.232 1.342 -3.676 227 2HD1 ILE 30 HD12 ILE 30 -7.348 -0.385 -3.335 228 3HD1 ILE 30 HD13 ILE 30 -6.604 0.170 -4.834 229 H PHE 31 HN PHE 31 -2.341 -2.450 -0.913 230 HA PHE 31 HA PHE 31 -0.901 -3.937 -3.015 231 1HB PHE 31 HB2 PHE 31 -0.006 -3.263 -0.211 232 2HB PHE 31 HB1 PHE 31 0.761 -4.511 -1.182 233 HD1 PHE 31 HD1 PHE 31 0.510 -0.985 -0.517 234 HD2 PHE 31 HD2 PHE 31 1.903 -3.879 -3.304 235 HE1 PHE 31 HE1 PHE 31 1.986 0.703 -1.527 236 HE2 PHE 31 HE2 PHE 31 3.381 -2.195 -4.320 237 HZ PHE 31 HZ PHE 31 3.425 0.099 -3.429 238 H ARG 32 HN ARG 32 -1.700 -5.907 -3.253 239 HA ARG 32 HA ARG 32 -2.842 -7.292 -0.933 240 1HB ARG 32 HB2 ARG 32 -4.082 -7.261 -3.123 241 2HB ARG 32 HB1 ARG 32 -2.755 -8.167 -3.832 242 1HG ARG 32 HG2 ARG 32 -3.195 -10.016 -2.293 243 2HG ARG 32 HG1 ARG 32 -4.530 -9.101 -1.585 244 1HD ARG 32 HD2 ARG 32 -5.599 -9.022 -3.816 245 2HD ARG 32 HD1 ARG 32 -4.304 -10.038 -4.442 246 HE ARG 32 HE ARG 32 -5.499 -11.309 -2.231 247 1HH1 ARG 32 HH11 ARG 32 -6.233 -10.417 -5.542 248 2HH1 ARG 32 HH12 ARG 32 -7.327 -11.745 -5.785 249 1HH2 ARG 32 HH21 ARG 32 -6.946 -13.043 -2.551 250 2HH2 ARG 32 HH22 ARG 32 -7.721 -13.251 -4.095 251 HA PRO 33 HA PRO 33 1.342 -8.963 -0.959 252 1HB PRO 33 HB2 PRO 33 1.657 -9.115 1.672 253 2HB PRO 33 HB1 PRO 33 1.587 -7.548 0.863 254 1HG PRO 33 HG2 PRO 33 -0.500 -8.959 2.456 255 2HG PRO 33 HG1 PRO 33 -0.125 -7.229 2.380 256 1HD PRO 33 HD2 PRO 33 -2.170 -8.541 0.977 257 2HD PRO 33 HD1 PRO 33 -1.556 -6.911 0.651 258 H TYR 34 HN TYR 34 -1.515 -10.500 -0.354 259 HA TYR 34 HA TYR 34 -0.145 -13.063 0.054 260 1HB TYR 34 HB2 TYR 34 -2.716 -12.212 1.411 261 2HB TYR 34 HB1 TYR 34 -2.025 -13.827 1.476 262 HD1 TYR 34 HD1 TYR 34 -2.088 -10.578 2.959 263 HD2 TYR 34 HD2 TYR 34 0.276 -14.095 2.568 264 HE1 TYR 34 HE1 TYR 34 -0.819 -9.942 4.966 265 HE2 TYR 34 HE2 TYR 34 1.545 -13.471 4.575 266 HH TYR 34 HH TYR 34 2.041 -11.693 5.969 267 H HIS 35 HN HIS 35 -1.872 -14.891 -0.376 268 HA HIS 35 HA HIS 35 -3.051 -14.300 -2.981 269 1HB HIS 35 HB2 HIS 35 -3.035 -16.947 -1.517 270 2HB HIS 35 HB1 HIS 35 -3.363 -16.679 -3.222 271 HD1 HIS 35 HD1 HIS 35 -0.598 -14.666 -3.105 272 HD2 HIS 35 HD2 HIS 35 -1.042 -18.757 -2.487 273 HE1 HIS 35 HE1 HIS 35 1.661 -15.667 -3.529 274 HE2 HIS 35 HE2 HIS 35 1.410 -18.116 -3.013 275 H SER 36 HN SER 36 -3.917 -14.159 0.193 276 HA SER 36 HA SER 36 -6.621 -15.174 -0.054 277 1HB SER 36 HB2 SER 36 -6.716 -14.473 2.381 278 2HB SER 36 HB1 SER 36 -5.490 -15.683 1.993 279 HG SER 36 HG SER 36 -4.288 -14.275 3.050 280 H ASP 37 HN ASP 37 -7.804 -13.339 1.791 281 HA ASP 37 HA ASP 37 -8.535 -11.267 -0.121 282 1HB ASP 37 HB2 ASP 37 -10.505 -10.962 1.219 283 2HB ASP 37 HB1 ASP 37 -10.253 -12.696 1.046 284 H GLN 38 HN GLN 38 -6.143 -11.414 1.980 285 HA GLN 38 HA GLN 38 -6.683 -9.028 3.520 286 1HB GLN 38 HB2 GLN 38 -5.360 -11.000 4.395 287 2HB GLN 38 HB1 GLN 38 -4.056 -10.500 3.324 288 1HG GLN 38 HG2 GLN 38 -3.722 -9.684 5.597 289 2HG GLN 38 HG1 GLN 38 -3.919 -8.356 4.451 290 1HE2 GLN 38 HE21 GLN 38 -4.614 -6.895 5.995 291 2HE2 GLN 38 HE22 GLN 38 -6.163 -7.003 6.764 292 H VAL 39 HN VAL 39 -6.399 -7.058 2.758 293 HA VAL 39 HA VAL 39 -4.197 -6.581 0.857 294 HB VAL 39 HB VAL 39 -6.500 -4.737 0.696 295 1HG1 VAL 39 HG11 VAL 39 -4.564 -4.468 -0.718 296 2HG1 VAL 39 HG12 VAL 39 -5.986 -4.844 -1.692 297 3HG1 VAL 39 HG13 VAL 39 -4.784 -6.093 -1.367 298 1HG2 VAL 39 HG21 VAL 39 -7.809 -6.193 -0.780 299 2HG2 VAL 39 HG22 VAL 39 -7.708 -6.854 0.853 300 3HG2 VAL 39 HG23 VAL 39 -6.710 -7.528 -0.435 301 H PHE 40 HN PHE 40 -3.063 -4.659 1.170 302 HA PHE 40 HA PHE 40 -3.842 -3.096 3.546 303 1HB PHE 40 HB2 PHE 40 -1.054 -3.783 2.590 304 2HB PHE 40 HB1 PHE 40 -1.410 -2.644 3.883 305 HD1 PHE 40 HD1 PHE 40 -3.340 -3.875 5.540 306 HD2 PHE 40 HD2 PHE 40 -0.144 -5.704 3.415 307 HE1 PHE 40 HE1 PHE 40 -3.303 -5.706 7.181 308 HE2 PHE 40 HE2 PHE 40 -0.106 -7.545 5.046 309 HZ PHE 40 HZ PHE 40 -1.687 -7.547 6.934 310 H ALA 41 HN ALA 41 -3.377 -0.842 3.469 311 HA ALA 41 HA ALA 41 -2.724 0.192 0.797 312 1HB ALA 41 HB1 ALA 41 -5.148 0.305 1.117 313 2HB ALA 41 HB2 ALA 41 -4.428 1.913 1.038 314 3HB ALA 41 HB3 ALA 41 -4.908 1.237 2.595 315 H ILE 42 HN ILE 42 -1.326 1.856 0.767 316 HA ILE 42 HA ILE 42 -0.799 3.336 3.240 317 HB ILE 42 HB ILE 42 1.656 3.213 2.836 318 1HG1 ILE 42 HG12 ILE 42 0.925 0.981 0.925 319 2HG1 ILE 42 HG11 ILE 42 1.544 2.559 0.452 320 1HG2 ILE 42 HG21 ILE 42 1.978 0.975 3.784 321 2HG2 ILE 42 HG22 ILE 42 0.314 0.565 3.369 322 3HG2 ILE 42 HG23 ILE 42 0.641 1.829 4.554 323 1HD1 ILE 42 HD11 ILE 42 3.283 0.859 0.403 324 2HD1 ILE 42 HD12 ILE 42 3.011 0.522 2.112 325 3HD1 ILE 42 HD13 ILE 42 3.634 2.094 1.611 326 H SER 43 HN SER 43 0.900 5.155 2.648 327 HA SER 43 HA SER 43 -0.186 6.821 0.682 328 1HB SER 43 HB2 SER 43 2.640 6.917 1.772 329 2HB SER 43 HB1 SER 43 1.717 8.260 1.092 330 HG SER 43 HG SER 43 0.253 8.037 2.843 331 H ASN 44 HN ASN 44 0.104 6.957 -1.464 332 HA ASN 44 HA ASN 44 1.572 4.816 -2.729 333 1HB ASN 44 HB2 ASN 44 -0.705 5.436 -3.445 334 2HB ASN 44 HB1 ASN 44 -0.107 7.011 -3.949 335 1HD2 ASN 44 HD21 ASN 44 -0.779 6.674 -6.045 336 2HD2 ASN 44 HD22 ASN 44 0.051 5.606 -7.119 337 H ILE 45 HN ILE 45 1.926 8.256 -2.361 338 HA ILE 45 HA ILE 45 4.101 8.363 -4.320 339 HB ILE 45 HB ILE 45 2.725 10.489 -2.666 340 1HG1 ILE 45 HG12 ILE 45 1.380 9.636 -4.510 341 2HG1 ILE 45 HG11 ILE 45 1.897 11.285 -4.845 342 1HG2 ILE 45 HG21 ILE 45 4.015 12.149 -3.905 343 2HG2 ILE 45 HG22 ILE 45 4.923 10.857 -4.689 344 3HG2 ILE 45 HG23 ILE 45 5.060 11.098 -2.947 345 1HD1 ILE 45 HD11 ILE 45 2.033 9.882 -6.823 346 2HD1 ILE 45 HD12 ILE 45 3.132 8.789 -5.981 347 3HD1 ILE 45 HD13 ILE 45 3.631 10.444 -6.331 348 H ASP 46 HN ASP 46 6.262 8.499 -3.717 349 HA ASP 46 HA ASP 46 7.165 7.958 -1.124 350 1HB ASP 46 HB2 ASP 46 8.546 9.448 -3.372 351 2HB ASP 46 HB1 ASP 46 9.351 8.995 -1.877 352 HA PRO 47 HA PRO 47 5.365 11.629 0.563 353 1HB PRO 47 HB2 PRO 47 6.881 10.858 2.996 354 2HB PRO 47 HB1 PRO 47 5.151 11.152 2.791 355 1HG PRO 47 HG2 PRO 47 6.080 8.674 3.064 356 2HG PRO 47 HG1 PRO 47 4.758 9.030 1.937 357 1HD PRO 47 HD2 PRO 47 7.657 8.552 1.367 358 2HD PRO 47 HD1 PRO 47 6.226 8.001 0.470 359 H PHE 48 HN PHE 48 8.597 11.133 1.987 360 HA PHE 48 HA PHE 48 8.965 14.014 1.967 361 1HB PHE 48 HB2 PHE 48 9.463 12.442 3.936 362 2HB PHE 48 HB1 PHE 48 10.900 11.966 3.040 363 HD1 PHE 48 HD1 PHE 48 9.166 14.913 4.472 364 HD2 PHE 48 HD2 PHE 48 12.857 13.217 3.208 365 HE1 PHE 48 HE1 PHE 48 10.369 16.831 5.428 366 HE2 PHE 48 HE2 PHE 48 14.065 15.137 4.160 367 HZ PHE 48 HZ PHE 48 12.822 16.947 5.272 368 H PHE 49 HN PHE 49 9.679 11.454 -0.072 369 HA PHE 49 HA PHE 49 12.226 12.558 -0.968 370 1HB PHE 49 HB2 PHE 49 11.812 10.058 -0.597 371 2HB PHE 49 HB1 PHE 49 10.869 10.110 -2.083 372 HD1 PHE 49 HD1 PHE 49 14.064 11.804 -1.202 373 HD2 PHE 49 HD2 PHE 49 12.095 8.942 -3.654 374 HE1 PHE 49 HE1 PHE 49 16.130 11.505 -2.502 375 HE2 PHE 49 HE2 PHE 49 14.154 8.642 -4.963 376 HZ PHE 49 HZ PHE 49 16.176 9.920 -4.386 377 H GLU 50 HN GLU 50 8.900 12.547 -1.831 378 HA GLU 50 HA GLU 50 7.739 13.742 -3.376 379 1HB GLU 50 HB2 GLU 50 10.434 14.916 -4.076 380 2HB GLU 50 HB1 GLU 50 8.888 15.519 -4.657 381 1HG GLU 50 HG2 GLU 50 8.228 16.078 -2.395 382 2HG GLU 50 HG1 GLU 50 9.736 15.408 -1.771 383 H SER 51 HN SER 51 8.659 11.126 -4.005 384 HA SER 51 HA SER 51 9.212 11.301 -6.876 385 1HB SER 51 HB2 SER 51 9.466 8.977 -4.963 386 2HB SER 51 HB1 SER 51 9.777 8.889 -6.696 387 HG SER 51 HG SER 51 11.522 9.476 -4.941 388 H SER 52 HN SER 52 8.211 8.736 -7.567 389 HA SER 52 HA SER 52 5.450 9.598 -7.889 390 1HB SER 52 HB2 SER 52 6.965 9.068 -9.858 391 2HB SER 52 HB1 SER 52 6.872 7.377 -9.371 392 HG SER 52 HG SER 52 4.672 9.046 -10.071 393 H VAL 53 HN VAL 53 4.707 6.872 -8.760 394 HA VAL 53 HA VAL 53 3.452 6.194 -6.285 395 HB VAL 53 HB VAL 53 2.180 4.575 -7.572 396 1HG1 VAL 53 HG11 VAL 53 1.171 6.096 -9.213 397 2HG1 VAL 53 HG12 VAL 53 2.556 7.174 -9.053 398 3HG1 VAL 53 HG13 VAL 53 1.488 6.901 -7.676 399 1HG2 VAL 53 HG21 VAL 53 2.576 4.241 -9.969 400 2HG2 VAL 53 HG22 VAL 53 3.953 3.703 -9.004 401 3HG2 VAL 53 HG23 VAL 53 4.026 5.241 -9.867 402 H LEU 54 HN LEU 54 3.830 4.592 -4.922 403 HA LEU 54 HA LEU 54 6.189 2.992 -5.136 404 1HB LEU 54 HB2 LEU 54 3.888 2.707 -3.203 405 2HB LEU 54 HB1 LEU 54 5.487 2.014 -3.024 406 HG LEU 54 HG LEU 54 4.770 4.942 -2.909 407 1HD1 LEU 54 HD11 LEU 54 5.833 3.041 -0.826 408 2HD1 LEU 54 HD12 LEU 54 4.196 3.694 -0.906 409 3HD1 LEU 54 HD13 LEU 54 5.560 4.770 -0.603 410 1HD2 LEU 54 HD21 LEU 54 7.131 5.333 -2.418 411 2HD2 LEU 54 HD22 LEU 54 6.916 4.643 -4.027 412 3HD2 LEU 54 HD23 LEU 54 7.476 3.626 -2.700 413 H SER 55 HN SER 55 3.095 2.708 -6.384 414 HA SER 55 HA SER 55 2.685 -0.087 -6.291 415 1HB SER 55 HB2 SER 55 1.717 1.778 -8.461 416 2HB SER 55 HB1 SER 55 0.959 0.288 -7.892 417 HG SER 55 HG SER 55 1.110 1.677 -5.762 418 H ARG 56 HN ARG 56 4.903 1.825 -8.021 419 HA ARG 56 HA ARG 56 5.385 -0.263 -10.015 420 1HB ARG 56 HB2 ARG 56 5.323 2.133 -10.737 421 2HB ARG 56 HB1 ARG 56 6.722 2.437 -9.715 422 1HG ARG 56 HG2 ARG 56 8.050 0.889 -11.047 423 2HG ARG 56 HG1 ARG 56 6.648 0.544 -12.057 424 1HD ARG 56 HD2 ARG 56 7.808 3.301 -11.726 425 2HD ARG 56 HD1 ARG 56 8.308 2.190 -13.000 426 HE ARG 56 HE ARG 56 5.717 3.526 -12.759 427 1HH1 ARG 56 HH11 ARG 56 7.863 1.387 -14.532 428 2HH1 ARG 56 HH12 ARG 56 6.898 1.425 -15.977 429 1HH2 ARG 56 HH21 ARG 56 4.473 3.598 -14.683 430 2HH2 ARG 56 HH22 ARG 56 4.988 2.676 -16.069 431 H GLY 57 HN GLY 57 5.829 -0.993 -7.382 432 1HA GLY 57 HA2 GLY 57 8.764 -1.218 -7.318 433 2HA GLY 57 HA1 GLY 57 7.879 -0.764 -5.869 434 H LEU 58 HN LEU 58 9.486 -2.950 -5.805 435 HA LEU 58 HA LEU 58 7.778 -5.275 -6.298 436 1HB LEU 58 HB2 LEU 58 9.745 -6.633 -6.174 437 2HB LEU 58 HB1 LEU 58 10.065 -5.291 -7.252 438 HG LEU 58 HG LEU 58 10.958 -5.260 -4.372 439 1HD1 LEU 58 HD11 LEU 58 13.146 -6.021 -5.160 440 2HD1 LEU 58 HD12 LEU 58 12.479 -6.272 -6.773 441 3HD1 LEU 58 HD13 LEU 58 11.903 -7.245 -5.419 442 1HD2 LEU 58 HD21 LEU 58 10.936 -3.111 -5.537 443 2HD2 LEU 58 HD22 LEU 58 11.915 -3.798 -6.833 444 3HD2 LEU 58 HD23 LEU 58 12.586 -3.640 -5.209 445 H ILE 59 HN ILE 59 7.457 -6.857 -4.712 446 HA ILE 59 HA ILE 59 7.764 -5.887 -1.959 447 HB ILE 59 HB ILE 59 5.945 -8.064 -3.013 448 1HG1 ILE 59 HG12 ILE 59 5.286 -5.262 -2.073 449 2HG1 ILE 59 HG11 ILE 59 5.307 -5.787 -3.753 450 1HG2 ILE 59 HG21 ILE 59 6.158 -6.827 -0.269 451 2HG2 ILE 59 HG22 ILE 59 6.601 -8.474 -0.713 452 3HG2 ILE 59 HG23 ILE 59 4.914 -7.968 -0.779 453 1HD1 ILE 59 HD11 ILE 59 3.490 -7.344 -3.290 454 2HD1 ILE 59 HD12 ILE 59 3.045 -5.686 -2.884 455 3HD1 ILE 59 HD13 ILE 59 3.473 -6.824 -1.606 456 H ALA 60 HN ALA 60 9.283 -6.778 -0.759 457 HA ALA 60 HA ALA 60 10.221 -9.493 -1.415 458 1HB ALA 60 HB1 ALA 60 11.937 -7.163 -0.558 459 2HB ALA 60 HB2 ALA 60 11.859 -7.842 -2.184 460 3HB ALA 60 HB3 ALA 60 12.496 -8.809 -0.853 461 H GLU 61 HN GLU 61 10.616 -10.834 0.306 462 HA GLU 61 HA GLU 61 9.406 -9.962 2.804 463 1HB GLU 61 HB2 GLU 61 8.840 -12.157 1.744 464 2HB GLU 61 HB1 GLU 61 10.483 -12.690 2.077 465 1HG GLU 61 HG2 GLU 61 10.066 -12.313 4.488 466 2HG GLU 61 HG1 GLU 61 8.393 -11.919 4.101 467 H HIS 62 HN HIS 62 10.493 -9.391 4.551 468 HA HIS 62 HA HIS 62 13.369 -9.488 4.626 469 1HB HIS 62 HB2 HIS 62 12.171 -7.596 5.630 470 2HB HIS 62 HB1 HIS 62 11.344 -8.684 6.736 471 HD1 HIS 62 HD1 HIS 62 12.243 -7.906 8.946 472 HD2 HIS 62 HD2 HIS 62 15.251 -8.606 6.148 473 HE1 HIS 62 HE1 HIS 62 14.413 -7.689 10.201 474 HE2 HIS 62 HE2 HIS 62 16.192 -8.356 8.544 475 H GLN 63 HN GLN 63 10.803 -10.813 6.643 476 HA GLN 63 HA GLN 63 11.572 -13.458 6.658 477 1HB GLN 63 HB2 GLN 63 13.605 -12.694 7.862 478 2HB GLN 63 HB1 GLN 63 12.589 -11.992 9.110 479 1HG GLN 63 HG2 GLN 63 13.503 -14.105 9.843 480 2HG GLN 63 HG1 GLN 63 11.752 -14.210 9.688 481 1HE2 GLN 63 HE21 GLN 63 13.828 -16.292 9.669 482 2HE2 GLN 63 HE22 GLN 63 13.600 -17.164 8.194 483 H GLY 64 HN GLY 64 9.355 -13.601 6.491 484 1HA GLY 64 HA2 GLY 64 7.240 -13.940 7.409 485 2HA GLY 64 HA1 GLY 64 7.824 -13.292 8.937 486 H GLU 65 HN GLU 65 8.896 -10.884 7.758 487 HA GLU 65 HA GLU 65 6.455 -9.325 7.534 488 1HB GLU 65 HB2 GLU 65 9.306 -8.346 7.417 489 2HB GLU 65 HB1 GLU 65 7.866 -7.403 7.769 490 1HG GLU 65 HG2 GLU 65 7.603 -8.480 9.886 491 2HG GLU 65 HG1 GLU 65 8.913 -9.608 9.522 492 H LEU 66 HN LEU 66 5.775 -8.272 5.712 493 HA LEU 66 HA LEU 66 7.298 -8.810 3.254 494 1HB LEU 66 HB2 LEU 66 4.393 -8.060 3.610 495 2HB LEU 66 HB1 LEU 66 5.177 -8.406 2.079 496 HG LEU 66 HG LEU 66 4.930 -10.415 4.320 497 1HD1 LEU 66 HD11 LEU 66 2.724 -9.761 3.455 498 2HD1 LEU 66 HD12 LEU 66 3.140 -11.425 3.053 499 3HD1 LEU 66 HD13 LEU 66 3.264 -10.166 1.826 500 1HD2 LEU 66 HD21 LEU 66 6.774 -10.858 2.807 501 2HD2 LEU 66 HD22 LEU 66 5.700 -10.690 1.418 502 3HD2 LEU 66 HD23 LEU 66 5.476 -12.026 2.547 503 H TRP 67 HN TRP 67 8.476 -7.177 2.534 504 HA TRP 67 HA TRP 67 7.637 -4.423 3.161 505 1HB TRP 67 HB2 TRP 67 10.380 -5.586 2.637 506 2HB TRP 67 HB1 TRP 67 10.062 -3.860 2.740 507 HD1 TRP 67 HD1 TRP 67 9.610 -6.987 5.023 508 HE1 TRP 67 HE1 TRP 67 10.106 -6.256 7.444 509 HE3 TRP 67 HE3 TRP 67 10.441 -2.006 4.222 510 HZ2 TRP 67 HZ2 TRP 67 10.770 -3.888 8.824 511 HZ3 TRP 67 HZ3 TRP 67 11.002 -0.579 6.144 512 HH2 TRP 67 HH2 TRP 67 11.162 -1.501 8.398 513 H VAL 68 HN VAL 68 7.541 -2.909 1.511 514 HA VAL 68 HA VAL 68 8.025 -3.933 -1.211 515 HB VAL 68 HB VAL 68 5.667 -3.351 -0.819 516 1HG1 VAL 68 HG11 VAL 68 4.990 -1.032 -0.437 517 2HG1 VAL 68 HG12 VAL 68 6.683 -0.566 -0.275 518 3HG1 VAL 68 HG13 VAL 68 5.952 -1.657 0.902 519 1HG2 VAL 68 HG21 VAL 68 6.553 -3.084 -3.059 520 2HG2 VAL 68 HG22 VAL 68 7.081 -1.445 -2.679 521 3HG2 VAL 68 HG23 VAL 68 5.360 -1.827 -2.723 522 H ALA 69 HN ALA 69 9.242 -2.655 -2.638 523 HA ALA 69 HA ALA 69 10.553 -0.317 -1.414 524 1HB ALA 69 HB1 ALA 69 12.040 -2.246 -1.221 525 2HB ALA 69 HB2 ALA 69 12.698 -1.036 -2.324 526 3HB ALA 69 HB3 ALA 69 11.945 -2.496 -2.965 527 H SER 70 HN SER 70 10.532 1.441 -2.650 528 HA SER 70 HA SER 70 9.649 1.287 -5.396 529 1HB SER 70 HB2 SER 70 9.913 3.807 -5.279 530 2HB SER 70 HB1 SER 70 8.779 3.121 -4.118 531 HG SER 70 HG SER 70 10.121 4.612 -3.079 532 HA PRO 71 HA PRO 71 13.857 0.753 -6.782 533 1HB PRO 71 HB2 PRO 71 13.356 0.904 -9.455 534 2HB PRO 71 HB1 PRO 71 13.022 -0.535 -8.484 535 1HG PRO 71 HG2 PRO 71 11.152 1.623 -9.378 536 2HG PRO 71 HG1 PRO 71 10.904 -0.133 -9.353 537 1HD PRO 71 HD2 PRO 71 9.886 1.489 -7.453 538 2HD PRO 71 HD1 PRO 71 10.432 -0.160 -7.092 539 H LEU 72 HN LEU 72 12.129 3.562 -6.808 540 HA LEU 72 HA LEU 72 13.787 5.121 -8.554 541 1HB LEU 72 HB2 LEU 72 11.738 5.903 -6.480 542 2HB LEU 72 HB1 LEU 72 12.614 7.067 -7.454 543 HG LEU 72 HG LEU 72 11.650 5.856 -9.492 544 1HD1 LEU 72 HD11 LEU 72 10.913 3.825 -8.375 545 2HD1 LEU 72 HD12 LEU 72 9.553 4.657 -9.130 546 3HD1 LEU 72 HD13 LEU 72 9.792 4.761 -7.386 547 1HD2 LEU 72 HD21 LEU 72 9.745 7.277 -7.646 548 2HD2 LEU 72 HD22 LEU 72 9.592 7.120 -9.395 549 3HD2 LEU 72 HD23 LEU 72 10.915 8.061 -8.706 550 H LYS 73 HN LYS 73 13.735 4.300 -5.157 551 HA LYS 73 HA LYS 73 16.407 5.503 -4.927 552 1HB LYS 73 HB2 LYS 73 14.761 7.007 -3.825 553 2HB LYS 73 HB1 LYS 73 14.283 5.677 -2.777 554 1HG LYS 73 HG2 LYS 73 16.631 5.571 -1.957 555 2HG LYS 73 HG1 LYS 73 16.970 7.026 -2.891 556 1HD LYS 73 HD2 LYS 73 15.347 8.274 -1.601 557 2HD LYS 73 HD1 LYS 73 14.883 6.813 -0.724 558 1HE LYS 73 HE2 LYS 73 16.374 8.112 0.649 559 2HE LYS 73 HE1 LYS 73 17.195 6.640 0.131 560 1HZ LYS 73 HZ1 LYS 73 17.643 9.420 -0.762 561 2HZ LYS 73 HZ2 LYS 73 18.104 8.120 -1.746 562 3HZ LYS 73 HZ3 LYS 73 18.773 8.286 -0.200 563 H LYS 74 HN LYS 74 14.301 2.921 -4.463 564 HA LYS 74 HA LYS 74 14.444 0.856 -3.593 565 1HB LYS 74 HB2 LYS 74 17.372 1.550 -3.369 566 2HB LYS 74 HB1 LYS 74 16.718 -0.028 -2.940 567 1HG LYS 74 HG2 LYS 74 15.894 -0.310 -5.221 568 2HG LYS 74 HG1 LYS 74 16.542 1.272 -5.653 569 1HD LYS 74 HD2 LYS 74 18.170 -1.070 -4.673 570 2HD LYS 74 HD1 LYS 74 18.008 -0.577 -6.359 571 1HE LYS 74 HE2 LYS 74 18.976 1.617 -5.776 572 2HE LYS 74 HE1 LYS 74 19.198 1.056 -4.120 573 1HZ LYS 74 HZ1 LYS 74 20.659 -0.689 -4.948 574 2HZ LYS 74 HZ2 LYS 74 21.233 0.848 -5.385 575 3HZ LYS 74 HZ3 LYS 74 20.458 -0.125 -6.537 576 H GLN 75 HN GLN 75 13.537 2.909 -2.061 577 HA GLN 75 HA GLN 75 14.546 2.544 0.632 578 1HB GLN 75 HB2 GLN 75 13.837 4.767 0.038 579 2HB GLN 75 HB1 GLN 75 12.283 4.177 -0.529 580 1HG GLN 75 HG2 GLN 75 11.583 3.675 1.695 581 2HG GLN 75 HG1 GLN 75 13.194 4.007 2.330 582 1HE2 GLN 75 HE21 GLN 75 10.530 5.195 2.900 583 2HE2 GLN 75 HE22 GLN 75 10.739 6.895 2.679 584 H ARG 76 HN ARG 76 13.412 1.504 2.279 585 HA ARG 76 HA ARG 76 11.606 -0.564 1.244 586 1HB ARG 76 HB2 ARG 76 13.363 -0.421 3.688 587 2HB ARG 76 HB1 ARG 76 12.205 -1.719 3.416 588 1HG ARG 76 HG2 ARG 76 13.359 -2.481 1.503 589 2HG ARG 76 HG1 ARG 76 14.351 -1.023 1.433 590 1HD ARG 76 HD2 ARG 76 14.421 -3.005 3.701 591 2HD ARG 76 HD1 ARG 76 15.520 -3.047 2.322 592 HE ARG 76 HE ARG 76 15.461 -0.508 3.689 593 1HH1 ARG 76 HH11 ARG 76 16.907 -3.692 3.622 594 2HH1 ARG 76 HH12 ARG 76 18.347 -3.199 4.453 595 1HH2 ARG 76 HH21 ARG 76 17.345 0.159 4.749 596 2HH2 ARG 76 HH22 ARG 76 18.619 -0.994 5.068 597 H PHE 77 HN PHE 77 9.541 -0.458 1.630 598 HA PHE 77 HA PHE 77 8.560 1.013 3.998 599 1HB PHE 77 HB2 PHE 77 6.972 0.385 1.502 600 2HB PHE 77 HB1 PHE 77 6.552 1.507 2.786 601 HD1 PHE 77 HD1 PHE 77 7.384 3.739 2.793 602 HD2 PHE 77 HD2 PHE 77 8.685 0.962 -0.150 603 HE1 PHE 77 HE1 PHE 77 8.346 5.586 1.483 604 HE2 PHE 77 HE2 PHE 77 9.656 2.799 -1.465 605 HZ PHE 77 HZ PHE 77 9.486 5.118 -0.648 606 H ARG 78 HN ARG 78 7.676 -0.285 5.536 607 HA ARG 78 HA ARG 78 6.936 -3.009 4.815 608 1HB ARG 78 HB2 ARG 78 8.186 -2.497 6.941 609 2HB ARG 78 HB1 ARG 78 6.740 -1.685 7.531 610 1HG ARG 78 HG2 ARG 78 5.497 -3.727 7.490 611 2HG ARG 78 HG1 ARG 78 6.819 -4.572 6.683 612 1HD ARG 78 HD2 ARG 78 6.844 -5.169 9.003 613 2HD ARG 78 HD1 ARG 78 8.236 -4.141 8.676 614 HE ARG 78 HE ARG 78 6.245 -2.437 9.543 615 1HH1 ARG 78 HH11 ARG 78 7.967 -5.226 10.853 616 2HH1 ARG 78 HH12 ARG 78 7.753 -4.723 12.502 617 1HH2 ARG 78 HH21 ARG 78 6.007 -1.779 11.718 618 2HH2 ARG 78 HH22 ARG 78 6.633 -2.792 12.998 619 H LEU 79 HN LEU 79 5.055 -3.095 3.754 620 HA LEU 79 HA LEU 79 3.016 -1.157 4.005 621 1HB LEU 79 HB2 LEU 79 1.688 -2.883 2.633 622 2HB LEU 79 HB1 LEU 79 3.102 -2.135 1.921 623 HG LEU 79 HG LEU 79 4.390 -4.221 2.623 624 1HD1 LEU 79 HD11 LEU 79 1.595 -5.301 2.954 625 2HD1 LEU 79 HD12 LEU 79 2.801 -5.116 4.229 626 3HD1 LEU 79 HD13 LEU 79 3.074 -6.261 2.914 627 1HD2 LEU 79 HD21 LEU 79 3.649 -5.467 0.663 628 2HD2 LEU 79 HD22 LEU 79 3.755 -3.741 0.320 629 3HD2 LEU 79 HD23 LEU 79 2.182 -4.492 0.589 630 H SER 80 HN SER 80 3.744 -3.776 5.959 631 HA SER 80 HA SER 80 1.202 -4.657 6.760 632 1HB SER 80 HB2 SER 80 3.587 -4.553 8.594 633 2HB SER 80 HB1 SER 80 2.342 -5.798 8.468 634 HG SER 80 HG SER 80 3.567 -6.770 7.067 635 H ASP 81 HN ASP 81 3.368 -2.176 8.117 636 HA ASP 81 HA ASP 81 1.103 -1.169 9.711 637 1HB ASP 81 HB2 ASP 81 2.678 -0.444 11.406 638 2HB ASP 81 HB1 ASP 81 2.916 -2.157 11.085 639 H GLY 82 HN GLY 82 3.740 -0.379 7.575 640 1HA GLY 82 HA2 GLY 82 3.428 1.494 6.070 641 2HA GLY 82 HA1 GLY 82 2.661 2.361 7.394 642 H LEU 83 HN LEU 83 5.401 0.582 8.350 643 HA LEU 83 HA LEU 83 6.828 3.051 8.829 644 1HB LEU 83 HB2 LEU 83 6.790 1.330 10.559 645 2HB LEU 83 HB1 LEU 83 7.566 0.198 9.467 646 HG LEU 83 HG LEU 83 9.518 1.807 9.373 647 1HD1 LEU 83 HD11 LEU 83 8.064 3.009 11.722 648 2HD1 LEU 83 HD12 LEU 83 8.430 3.799 10.184 649 3HD1 LEU 83 HD13 LEU 83 9.737 3.347 11.279 650 1HD2 LEU 83 HD21 LEU 83 9.600 -0.261 10.636 651 2HD2 LEU 83 HD22 LEU 83 8.835 0.534 12.015 652 3HD2 LEU 83 HD23 LEU 83 10.446 1.029 11.493 653 H CYS 84 HN CYS 84 8.577 3.782 7.791 654 HA CYS 84 HA CYS 84 9.689 2.153 5.615 655 1HB CYS 84 HB2 CYS 84 10.150 5.085 6.212 656 2HB CYS 84 HB1 CYS 84 10.615 4.218 4.751 657 HG CYS 84 HG CYS 84 8.404 5.975 4.301 658 H MET 85 HN MET 85 11.783 1.416 5.736 659 HA MET 85 HA MET 85 12.961 1.382 8.335 660 1HB MET 85 HB2 MET 85 13.034 -0.474 6.607 661 2HB MET 85 HB1 MET 85 14.269 0.463 5.779 662 1HG MET 85 HG2 MET 85 15.746 0.294 7.655 663 2HG MET 85 HG1 MET 85 14.487 -0.456 8.634 664 1HE MET 85 HE1 MET 85 16.963 -3.425 8.170 665 2HE MET 85 HE2 MET 85 16.014 -2.481 9.318 666 3HE MET 85 HE3 MET 85 17.345 -1.725 8.442 667 H GLU 86 HN GLU 86 13.558 3.220 5.421 668 HA GLU 86 HA GLU 86 15.989 4.394 6.523 669 1HB GLU 86 HB2 GLU 86 14.541 4.840 3.903 670 2HB GLU 86 HB1 GLU 86 16.011 5.680 4.364 671 1HG GLU 86 HG2 GLU 86 16.503 3.868 2.847 672 2HG GLU 86 HG1 GLU 86 17.212 3.556 4.428 673 H ASP 87 HN ASP 87 12.646 5.123 6.084 674 HA ASP 87 HA ASP 87 13.078 7.981 6.611 675 1HB ASP 87 HB2 ASP 87 11.996 7.282 4.451 676 2HB ASP 87 HB1 ASP 87 10.640 6.678 5.394 677 H GLU 88 HN GLU 88 12.646 5.532 8.452 678 HA GLU 88 HA GLU 88 10.254 5.178 9.570 679 1HB GLU 88 HB2 GLU 88 11.410 4.727 11.746 680 2HB GLU 88 HB1 GLU 88 12.072 3.900 10.346 681 1HG GLU 88 HG2 GLU 88 13.878 5.531 10.226 682 2HG GLU 88 HG1 GLU 88 13.204 6.384 11.613 683 H GLN 89 HN GLN 89 12.147 8.101 10.210 684 HA GLN 89 HA GLN 89 10.735 8.997 12.455 685 1HB GLN 89 HB2 GLN 89 12.038 10.617 10.263 686 2HB GLN 89 HB1 GLN 89 11.483 11.274 11.797 687 1HG GLN 89 HG2 GLN 89 13.048 9.667 12.928 688 2HG GLN 89 HG1 GLN 89 13.709 9.313 11.332 689 1HE2 GLN 89 HE21 GLN 89 14.846 10.932 10.223 690 2HE2 GLN 89 HE22 GLN 89 15.505 12.306 11.054 691 H PHE 90 HN PHE 90 9.968 9.202 9.027 692 HA PHE 90 HA PHE 90 7.434 10.540 9.726 693 1HB PHE 90 HB2 PHE 90 8.883 10.451 7.069 694 2HB PHE 90 HB1 PHE 90 7.330 11.230 7.349 695 HD1 PHE 90 HD1 PHE 90 7.197 13.246 8.764 696 HD2 PHE 90 HD2 PHE 90 10.924 11.496 7.682 697 HE1 PHE 90 HE1 PHE 90 8.352 15.329 9.387 698 HE2 PHE 90 HE2 PHE 90 12.085 13.575 8.305 699 HZ PHE 90 HZ PHE 90 10.798 15.493 9.160 700 H SER 91 HN SER 91 8.709 8.312 7.256 701 HA SER 91 HA SER 91 7.902 6.433 6.304 702 1HB SER 91 HB2 SER 91 6.202 6.252 8.801 703 2HB SER 91 HB1 SER 91 6.475 4.946 7.646 704 HG SER 91 HG SER 91 8.481 6.270 9.161 705 H VAL 92 HN VAL 92 5.447 5.270 6.070 706 HA VAL 92 HA VAL 92 3.847 7.415 4.846 707 HB VAL 92 HB VAL 92 2.831 5.681 3.432 708 1HG1 VAL 92 HG11 VAL 92 5.844 5.660 3.358 709 2HG1 VAL 92 HG12 VAL 92 4.786 6.851 2.599 710 3HG1 VAL 92 HG13 VAL 92 4.780 5.180 2.036 711 1HG2 VAL 92 HG21 VAL 92 3.013 3.783 4.950 712 2HG2 VAL 92 HG22 VAL 92 4.768 3.787 4.762 713 3HG2 VAL 92 HG23 VAL 92 3.734 3.406 3.385 714 H LYS 93 HN LYS 93 1.433 7.015 4.902 715 HA LYS 93 HA LYS 93 0.759 6.160 7.608 716 1HB LYS 93 HB2 LYS 93 -0.078 8.355 6.851 717 2HB LYS 93 HB1 LYS 93 -0.984 7.556 5.570 718 1HG LYS 93 HG2 LYS 93 -2.287 6.342 7.234 719 2HG LYS 93 HG1 LYS 93 -1.369 7.116 8.524 720 1HD LYS 93 HD2 LYS 93 -2.212 9.298 7.819 721 2HD LYS 93 HD1 LYS 93 -3.133 8.524 6.523 722 1HE LYS 93 HE2 LYS 93 -4.377 7.227 8.193 723 2HE LYS 93 HE1 LYS 93 -3.464 8.018 9.478 724 1HZ LYS 93 HZ1 LYS 93 -5.184 9.454 7.535 725 2HZ LYS 93 HZ2 LYS 93 -4.428 10.112 8.898 726 3HZ LYS 93 HZ3 LYS 93 -5.683 8.989 9.086 727 H HIS 94 HN HIS 94 -0.554 4.494 8.094 728 HA HIS 94 HA HIS 94 -1.116 2.594 5.978 729 1HB HIS 94 HB2 HIS 94 -0.195 1.990 8.288 730 2HB HIS 94 HB1 HIS 94 -1.815 2.306 8.899 731 HD1 HIS 94 HD1 HIS 94 -3.625 0.532 8.438 732 HD2 HIS 94 HD2 HIS 94 0.057 -0.314 6.692 733 HE1 HIS 94 HE1 HIS 94 -3.771 -1.853 7.664 734 HE2 HIS 94 HE2 HIS 94 -1.450 -2.402 6.853 735 H TYR 95 HN TYR 95 -3.050 2.224 5.121 736 HA TYR 95 HA TYR 95 -5.409 3.464 6.367 737 1HB TYR 95 HB2 TYR 95 -4.999 2.876 3.422 738 2HB TYR 95 HB1 TYR 95 -6.375 3.702 4.144 739 HD1 TYR 95 HD1 TYR 95 -5.933 5.948 5.301 740 HD2 TYR 95 HD2 TYR 95 -3.128 4.089 2.699 741 HE1 TYR 95 HE1 TYR 95 -4.800 8.107 4.989 742 HE2 TYR 95 HE2 TYR 95 -1.989 6.246 2.377 743 HH TYR 95 HH TYR 95 -2.531 8.674 2.544 744 H GLU 96 HN GLU 96 -7.298 2.188 6.438 745 HA GLU 96 HA GLU 96 -6.690 -0.652 6.479 746 1HB GLU 96 HB2 GLU 96 -8.823 1.068 7.648 747 2HB GLU 96 HB1 GLU 96 -9.183 -0.631 7.385 748 1HG GLU 96 HG2 GLU 96 -8.413 -0.275 9.643 749 2HG GLU 96 HG1 GLU 96 -7.251 -1.253 8.751 750 H ALA 97 HN ALA 97 -7.759 -2.219 5.322 751 HA ALA 97 HA ALA 97 -9.506 -1.282 3.154 752 1HB ALA 97 HB1 ALA 97 -8.350 -2.760 1.591 753 2HB ALA 97 HB2 ALA 97 -7.220 -3.231 2.861 754 3HB ALA 97 HB3 ALA 97 -7.241 -1.568 2.270 755 H ARG 98 HN ARG 98 -11.026 -2.790 2.408 756 HA ARG 98 HA ARG 98 -11.052 -5.437 3.644 757 1HB ARG 98 HB2 ARG 98 -13.316 -5.309 4.398 758 2HB ARG 98 HB1 ARG 98 -12.490 -3.904 5.051 759 1HG ARG 98 HG2 ARG 98 -13.488 -2.483 3.377 760 2HG ARG 98 HG1 ARG 98 -14.223 -3.879 2.587 761 1HD ARG 98 HD2 ARG 98 -15.481 -4.323 4.691 762 2HD ARG 98 HD1 ARG 98 -14.837 -2.815 5.342 763 HE ARG 98 HE ARG 98 -16.037 -2.216 2.901 764 1HH1 ARG 98 HH11 ARG 98 -17.010 -3.348 6.079 765 2HH1 ARG 98 HH12 ARG 98 -18.628 -2.727 5.925 766 1HH2 ARG 98 HH21 ARG 98 -18.123 -1.375 2.732 767 2HH2 ARG 98 HH22 ARG 98 -19.262 -1.607 4.024 768 H VAL 99 HN VAL 99 -12.408 -6.949 2.509 769 HA VAL 99 HA VAL 99 -12.894 -6.145 -0.280 770 HB VAL 99 HB VAL 99 -12.603 -8.931 0.870 771 1HG1 VAL 99 HG11 VAL 99 -12.799 -8.002 -1.992 772 2HG1 VAL 99 HG12 VAL 99 -14.033 -8.889 -1.098 773 3HG1 VAL 99 HG13 VAL 99 -12.489 -9.657 -1.466 774 1HG2 VAL 99 HG21 VAL 99 -10.494 -7.721 0.944 775 2HG2 VAL 99 HG22 VAL 99 -10.663 -7.293 -0.759 776 3HG2 VAL 99 HG23 VAL 99 -10.445 -8.980 -0.291 777 H LYS 100 HN LYS 100 -14.934 -5.419 -0.385 778 HA LYS 100 HA LYS 100 -17.051 -6.780 1.109 779 1HB LYS 100 HB2 LYS 100 -16.894 -4.288 1.132 780 2HB LYS 100 HB1 LYS 100 -17.196 -4.287 -0.600 781 1HG LYS 100 HG2 LYS 100 -19.371 -5.427 -0.141 782 2HG LYS 100 HG1 LYS 100 -19.068 -5.172 1.579 783 1HD LYS 100 HD2 LYS 100 -20.455 -3.386 0.859 784 2HD LYS 100 HD1 LYS 100 -18.838 -2.722 1.066 785 1HE LYS 100 HE2 LYS 100 -19.775 -1.861 -0.971 786 2HE LYS 100 HE1 LYS 100 -18.464 -2.971 -1.368 787 1HZ LYS 100 HZ1 LYS 100 -20.088 -4.677 -1.879 788 2HZ LYS 100 HZ2 LYS 100 -20.412 -3.279 -2.787 789 3HZ LYS 100 HZ3 LYS 100 -21.360 -3.643 -1.431 790 H ASP 101 HN ASP 101 -17.802 -8.519 0.126 791 HA ASP 101 HA ASP 101 -18.408 -10.025 -1.450 792 1HB ASP 101 HB2 ASP 101 -20.221 -9.354 -2.917 793 2HB ASP 101 HB1 ASP 101 -20.431 -8.647 -1.326 794 H GLY 102 HN GLY 102 -15.884 -8.576 -2.025 795 1HA GLY 102 HA2 GLY 102 -14.451 -9.515 -3.759 796 2HA GLY 102 HA1 GLY 102 -15.775 -9.277 -4.888 797 H VAL 103 HN VAL 103 -15.991 -6.581 -3.172 798 HA VAL 103 HA VAL 103 -14.273 -5.108 -5.051 799 HB VAL 103 HB VAL 103 -16.430 -3.945 -3.291 800 1HG1 VAL 103 HG11 VAL 103 -16.438 -2.149 -4.948 801 2HG1 VAL 103 HG12 VAL 103 -15.159 -2.970 -5.844 802 3HG1 VAL 103 HG13 VAL 103 -14.842 -2.350 -4.223 803 1HG2 VAL 103 HG21 VAL 103 -16.711 -5.008 -6.099 804 2HG2 VAL 103 HG22 VAL 103 -17.931 -4.077 -5.232 805 3HG2 VAL 103 HG23 VAL 103 -17.461 -5.675 -4.646 806 H VAL 104 HN VAL 104 -12.604 -3.890 -4.380 807 HA VAL 104 HA VAL 104 -11.734 -4.118 -1.634 808 HB VAL 104 HB VAL 104 -10.457 -2.485 -3.836 809 1HG1 VAL 104 HG11 VAL 104 -9.327 -3.664 -1.299 810 2HG1 VAL 104 HG12 VAL 104 -9.667 -1.959 -1.594 811 3HG1 VAL 104 HG13 VAL 104 -8.412 -2.782 -2.522 812 1HG2 VAL 104 HG21 VAL 104 -10.700 -4.780 -4.603 813 2HG2 VAL 104 HG22 VAL 104 -9.977 -5.375 -3.108 814 3HG2 VAL 104 HG23 VAL 104 -9.009 -4.429 -4.240 815 H GLN 105 HN GLN 105 -12.275 -2.732 -0.087 816 HA GLN 105 HA GLN 105 -12.882 0.042 -0.867 817 1HB GLN 105 HB2 GLN 105 -14.137 -1.614 1.321 818 2HB GLN 105 HB1 GLN 105 -14.373 0.121 1.140 819 1HG GLN 105 HG2 GLN 105 -15.207 -0.377 -1.195 820 2HG GLN 105 HG1 GLN 105 -15.240 -2.073 -0.714 821 1HE2 GLN 105 HE21 GLN 105 -17.383 -0.188 -1.453 822 2HE2 GLN 105 HE22 GLN 105 -18.498 -0.202 -0.129 823 H LEU 106 HN LEU 106 -11.906 1.644 0.205 824 HA LEU 106 HA LEU 106 -9.950 0.863 2.251 825 1HB LEU 106 HB2 LEU 106 -9.882 3.226 0.378 826 2HB LEU 106 HB1 LEU 106 -8.642 2.797 1.539 827 HG LEU 106 HG LEU 106 -9.420 1.149 -0.866 828 1HD1 LEU 106 HD11 LEU 106 -7.241 1.829 -1.746 829 2HD1 LEU 106 HD12 LEU 106 -7.001 2.870 -0.343 830 3HD1 LEU 106 HD13 LEU 106 -8.297 3.218 -1.487 831 1HD2 LEU 106 HD21 LEU 106 -7.428 -0.163 -0.316 832 2HD2 LEU 106 HD22 LEU 106 -8.625 -0.226 0.977 833 3HD2 LEU 106 HD23 LEU 106 -7.201 0.800 1.145 834 H ARG 107 HN ARG 107 -9.968 1.851 4.187 835 HA ARG 107 HA ARG 107 -11.656 4.242 4.505 836 1HB ARG 107 HB2 ARG 107 -12.546 2.453 5.876 837 2HB ARG 107 HB1 ARG 107 -10.953 2.121 6.549 838 1HG ARG 107 HG2 ARG 107 -10.946 4.314 7.617 839 2HG ARG 107 HG1 ARG 107 -12.538 4.650 6.941 840 1HD ARG 107 HD2 ARG 107 -12.759 3.965 9.243 841 2HD ARG 107 HD1 ARG 107 -13.445 2.732 8.189 842 HE ARG 107 HE ARG 107 -11.959 1.257 9.073 843 1HH1 ARG 107 HH11 ARG 107 -10.597 4.473 9.489 844 2HH1 ARG 107 HH12 ARG 107 -9.225 3.907 10.396 845 1HH2 ARG 107 HH21 ARG 107 -10.186 0.542 10.313 846 2HH2 ARG 107 HH22 ARG 107 -8.988 1.682 10.838 847 H GLY 108 HN GLY 108 -10.350 5.943 4.373 848 1HA GLY 108 HA2 GLY 108 -8.137 6.146 6.236 849 2HA GLY 108 HA1 GLY 108 -7.701 6.203 4.535 850 H GLY 109 HN GLY 109 -6.890 8.341 5.422 851 1HA GLY 109 HA2 GLY 109 -8.016 10.509 4.346 852 2HA GLY 109 HA1 GLY 109 -8.924 10.366 5.847 853 H SER 110 HN SER 110 -8.037 12.391 6.523 854 HA SER 110 HA SER 110 -5.226 12.749 6.833 855 1HB SER 110 HB2 SER 110 -6.937 14.609 6.619 856 2HB SER 110 HB1 SER 110 -7.417 14.256 8.278 857 HG SER 110 HG SER 110 -4.694 14.633 7.798 Start of MODEL 17 1 HA MET 1 HA MET 1 -16.776 9.669 10.299 2 1HB MET 1 HB2 MET 1 -14.638 10.950 8.585 3 2HB MET 1 HB1 MET 1 -16.102 10.223 7.947 4 1HG MET 1 HG2 MET 1 -16.508 12.526 8.011 5 2HG MET 1 HG1 MET 1 -17.388 11.850 9.379 6 1HE MET 1 HE1 MET 1 -13.514 12.514 9.063 7 2HE MET 1 HE2 MET 1 -13.396 14.136 9.742 8 3HE MET 1 HE3 MET 1 -14.247 13.878 8.218 9 H SER 2 HN SER 2 -16.895 7.950 8.735 10 HA SER 2 HA SER 2 -14.458 6.466 8.197 11 1HB SER 2 HB2 SER 2 -15.977 4.351 8.870 12 2HB SER 2 HB1 SER 2 -14.876 5.135 10.000 13 HG SER 2 HG SER 2 -17.582 4.947 10.065 14 H GLN 3 HN GLN 3 -14.592 6.626 6.048 15 HA GLN 3 HA GLN 3 -17.061 5.657 4.768 16 1HB GLN 3 HB2 GLN 3 -16.468 8.021 4.253 17 2HB GLN 3 HB1 GLN 3 -14.939 7.463 3.588 18 1HG GLN 3 HG2 GLN 3 -16.298 6.061 1.984 19 2HG GLN 3 HG1 GLN 3 -17.709 6.957 2.543 20 1HE2 GLN 3 HE21 GLN 3 -14.502 8.306 2.175 21 2HE2 GLN 3 HE22 GLN 3 -14.892 9.371 0.868 22 H TRP 4 HN TRP 4 -16.603 3.495 4.604 23 HA TRP 4 HA TRP 4 -14.142 2.552 3.474 24 1HB TRP 4 HB2 TRP 4 -16.820 1.231 3.931 25 2HB TRP 4 HB1 TRP 4 -15.470 0.398 3.170 26 HD1 TRP 4 HD1 TRP 4 -16.807 1.416 6.548 27 HE1 TRP 4 HE1 TRP 4 -15.246 0.506 8.393 28 HE3 TRP 4 HE3 TRP 4 -12.908 -0.117 3.624 29 HZ2 TRP 4 HZ2 TRP 4 -12.707 -0.698 8.568 30 HZ3 TRP 4 HZ3 TRP 4 -10.953 -1.136 4.708 31 HH2 TRP 4 HH2 TRP 4 -10.853 -1.421 7.130 32 H LYS 5 HN LYS 5 -13.931 3.834 1.615 33 HA LYS 5 HA LYS 5 -15.987 3.822 -0.398 34 1HB LYS 5 HB2 LYS 5 -14.592 5.807 -0.119 35 2HB LYS 5 HB1 LYS 5 -13.148 4.870 -0.476 36 1HG LYS 5 HG2 LYS 5 -14.002 4.443 -2.737 37 2HG LYS 5 HG1 LYS 5 -15.416 5.429 -2.377 38 1HD LYS 5 HD2 LYS 5 -13.936 7.360 -1.999 39 2HD LYS 5 HD1 LYS 5 -12.548 6.358 -2.435 40 1HE LYS 5 HE2 LYS 5 -14.899 7.026 -4.204 41 2HE LYS 5 HE1 LYS 5 -13.274 7.697 -4.338 42 1HZ LYS 5 HZ1 LYS 5 -12.413 5.638 -5.019 43 2HZ LYS 5 HZ2 LYS 5 -13.856 5.814 -5.896 44 3HZ LYS 5 HZ3 LYS 5 -13.803 4.789 -4.549 45 H ASP 6 HN ASP 6 -16.143 2.533 -2.137 46 HA ASP 6 HA ASP 6 -14.402 0.285 -2.426 47 1HB ASP 6 HB2 ASP 6 -15.735 -0.254 -4.417 48 2HB ASP 6 HB1 ASP 6 -16.780 0.134 -3.054 49 H ILE 7 HN ILE 7 -12.804 -0.047 -3.878 50 HA ILE 7 HA ILE 7 -11.968 2.305 -5.448 51 HB ILE 7 HB ILE 7 -10.207 0.046 -4.480 52 1HG1 ILE 7 HG12 ILE 7 -11.067 1.298 -2.559 53 2HG1 ILE 7 HG11 ILE 7 -9.355 1.623 -2.798 54 1HG2 ILE 7 HG21 ILE 7 -8.375 1.572 -5.079 55 2HG2 ILE 7 HG22 ILE 7 -9.554 2.741 -5.674 56 3HG2 ILE 7 HG23 ILE 7 -9.386 1.175 -6.468 57 1HD1 ILE 7 HD11 ILE 7 -9.907 3.751 -3.853 58 2HD1 ILE 7 HD12 ILE 7 -10.562 3.641 -2.219 59 3HD1 ILE 7 HD13 ILE 7 -11.622 3.422 -3.612 60 H CYS 8 HN CYS 8 -11.237 -1.164 -5.491 61 HA CYS 8 HA CYS 8 -12.219 -1.373 -8.226 62 1HB CYS 8 HB2 CYS 8 -9.400 -2.153 -7.432 63 2HB CYS 8 HB1 CYS 8 -10.133 -2.397 -9.014 64 HG CYS 8 HG CYS 8 -10.523 0.722 -8.575 65 H LYS 9 HN LYS 9 -11.934 -3.784 -8.936 66 HA LYS 9 HA LYS 9 -12.986 -5.403 -6.750 67 1HB LYS 9 HB2 LYS 9 -13.571 -5.186 -9.452 68 2HB LYS 9 HB1 LYS 9 -12.687 -6.700 -9.346 69 1HG LYS 9 HG2 LYS 9 -14.829 -6.282 -7.359 70 2HG LYS 9 HG1 LYS 9 -15.332 -6.520 -9.033 71 1HD LYS 9 HD2 LYS 9 -14.050 -8.602 -9.118 72 2HD LYS 9 HD1 LYS 9 -13.540 -8.358 -7.447 73 1HE LYS 9 HE2 LYS 9 -15.788 -8.576 -6.658 74 2HE LYS 9 HE1 LYS 9 -16.420 -8.582 -8.303 75 1HZ LYS 9 HZ1 LYS 9 -15.553 -10.708 -8.700 76 2HZ LYS 9 HZ2 LYS 9 -16.227 -10.811 -7.148 77 3HZ LYS 9 HZ3 LYS 9 -14.544 -10.663 -7.340 78 H ILE 10 HN ILE 10 -11.947 -7.182 -5.907 79 HA ILE 10 HA ILE 10 -9.117 -7.099 -5.967 80 HB ILE 10 HB ILE 10 -10.504 -7.823 -4.007 81 1HG1 ILE 10 HG12 ILE 10 -8.389 -9.805 -4.878 82 2HG1 ILE 10 HG11 ILE 10 -8.062 -8.234 -4.152 83 1HG2 ILE 10 HG21 ILE 10 -11.223 -10.164 -3.882 84 2HG2 ILE 10 HG22 ILE 10 -10.747 -10.396 -5.564 85 3HG2 ILE 10 HG23 ILE 10 -12.062 -9.291 -5.165 86 1HD1 ILE 10 HD11 ILE 10 -9.178 -8.936 -2.108 87 2HD1 ILE 10 HD12 ILE 10 -7.862 -10.035 -2.529 88 3HD1 ILE 10 HD13 ILE 10 -9.535 -10.505 -2.834 89 H ASP 11 HN ASP 11 -11.358 -8.657 -7.967 90 HA ASP 11 HA ASP 11 -9.876 -10.951 -8.718 91 1HB ASP 11 HB2 ASP 11 -12.154 -9.446 -9.977 92 2HB ASP 11 HB1 ASP 11 -11.396 -10.805 -10.800 93 H ASP 12 HN ASP 12 -9.688 -7.621 -9.626 94 HA ASP 12 HA ASP 12 -8.264 -8.127 -12.091 95 1HB ASP 12 HB2 ASP 12 -9.682 -6.165 -11.982 96 2HB ASP 12 HB1 ASP 12 -8.814 -5.568 -10.572 97 H ILE 13 HN ILE 13 -7.513 -7.359 -8.773 98 HA ILE 13 HA ILE 13 -4.737 -6.759 -9.363 99 HB ILE 13 HB ILE 13 -6.030 -7.057 -6.646 100 1HG1 ILE 13 HG12 ILE 13 -5.624 -4.538 -8.274 101 2HG1 ILE 13 HG11 ILE 13 -7.173 -5.341 -8.040 102 1HG2 ILE 13 HG21 ILE 13 -3.506 -5.664 -7.539 103 2HG2 ILE 13 HG22 ILE 13 -3.595 -7.171 -6.627 104 3HG2 ILE 13 HG23 ILE 13 -4.151 -5.664 -5.898 105 1HD1 ILE 13 HD11 ILE 13 -5.475 -4.117 -5.875 106 2HD1 ILE 13 HD12 ILE 13 -7.033 -4.913 -5.643 107 3HD1 ILE 13 HD13 ILE 13 -6.936 -3.418 -6.574 108 H LEU 14 HN LEU 14 -3.535 -8.452 -9.906 109 HA LEU 14 HA LEU 14 -3.974 -11.102 -8.953 110 1HB LEU 14 HB2 LEU 14 -1.648 -9.871 -10.440 111 2HB LEU 14 HB1 LEU 14 -1.824 -11.588 -10.126 112 HG LEU 14 HG LEU 14 -3.681 -9.900 -11.804 113 1HD1 LEU 14 HD11 LEU 14 -1.523 -10.305 -12.867 114 2HD1 LEU 14 HD12 LEU 14 -2.811 -11.200 -13.672 115 3HD1 LEU 14 HD13 LEU 14 -1.704 -12.037 -12.585 116 1HD2 LEU 14 HD21 LEU 14 -4.760 -12.017 -12.379 117 2HD2 LEU 14 HD22 LEU 14 -4.880 -11.686 -10.650 118 3HD2 LEU 14 HD23 LEU 14 -3.709 -12.865 -11.244 119 HA PRO 15 HA PRO 15 -1.443 -11.447 -5.309 120 1HB PRO 15 HB2 PRO 15 0.264 -13.439 -6.701 121 2HB PRO 15 HB1 PRO 15 -0.610 -13.579 -5.173 122 1HG PRO 15 HG2 PRO 15 -1.478 -14.800 -7.384 123 2HG PRO 15 HG1 PRO 15 -2.607 -14.096 -6.212 124 1HD PRO 15 HD2 PRO 15 -1.761 -13.073 -8.883 125 2HD PRO 15 HD1 PRO 15 -3.338 -12.961 -8.078 126 H GLU 16 HN GLU 16 0.192 -10.283 -4.542 127 HA GLU 16 HA GLU 16 2.102 -9.089 -4.357 128 1HB GLU 16 HB2 GLU 16 3.093 -10.797 -6.649 129 2HB GLU 16 HB1 GLU 16 4.089 -9.856 -5.546 130 1HG GLU 16 HG2 GLU 16 3.326 -11.246 -3.679 131 2HG GLU 16 HG1 GLU 16 2.353 -12.197 -4.797 132 H THR 17 HN THR 17 0.064 -7.928 -5.728 133 HA THR 17 HA THR 17 1.494 -6.328 -7.746 134 HB THR 17 HB THR 17 -1.436 -7.073 -7.935 135 HG1 THR 17 HG1 THR 17 -0.325 -8.920 -8.415 136 1HG2 THR 17 HG21 THR 17 -0.882 -4.946 -9.000 137 2HG2 THR 17 HG22 THR 17 -1.249 -6.170 -10.216 138 3HG2 THR 17 HG23 THR 17 0.427 -5.720 -9.895 139 H GLY 18 HN GLY 18 1.176 -4.131 -7.610 140 1HA GLY 18 HA2 GLY 18 -0.697 -3.204 -5.525 141 2HA GLY 18 HA1 GLY 18 0.888 -2.480 -5.771 142 H VAL 19 HN VAL 19 -1.905 -1.393 -5.933 143 HA VAL 19 HA VAL 19 -1.675 -0.257 -8.642 144 HB VAL 19 HB VAL 19 -4.132 0.015 -8.690 145 1HG1 VAL 19 HG11 VAL 19 -3.131 -1.914 -9.783 146 2HG1 VAL 19 HG12 VAL 19 -4.700 -2.334 -9.098 147 3HG1 VAL 19 HG13 VAL 19 -3.220 -2.831 -8.279 148 1HG2 VAL 19 HG21 VAL 19 -4.565 0.050 -6.295 149 2HG2 VAL 19 HG22 VAL 19 -4.088 -1.644 -6.171 150 3HG2 VAL 19 HG23 VAL 19 -5.530 -1.197 -7.083 151 H CYS 20 HN CYS 20 -2.574 1.923 -8.851 152 HA CYS 20 HA CYS 20 -2.190 3.449 -6.370 153 1HB CYS 20 HB2 CYS 20 -1.829 5.395 -7.957 154 2HB CYS 20 HB1 CYS 20 -0.597 4.140 -7.996 155 HG CYS 20 HG CYS 20 -2.763 3.274 -10.233 156 H ALA 21 HN ALA 21 -3.837 4.603 -5.536 157 HA ALA 21 HA ALA 21 -6.182 5.120 -7.224 158 1HB ALA 21 HB1 ALA 21 -6.288 3.887 -4.475 159 2HB ALA 21 HB2 ALA 21 -6.646 3.066 -5.993 160 3HB ALA 21 HB3 ALA 21 -7.681 4.382 -5.437 161 H LEU 22 HN LEU 22 -7.672 6.688 -6.228 162 HA LEU 22 HA LEU 22 -6.248 8.591 -4.484 163 1HB LEU 22 HB2 LEU 22 -6.807 9.184 -6.976 164 2HB LEU 22 HB1 LEU 22 -8.441 9.377 -6.384 165 HG LEU 22 HG LEU 22 -6.085 10.924 -5.297 166 1HD1 LEU 22 HD11 LEU 22 -8.135 11.754 -7.348 167 2HD1 LEU 22 HD12 LEU 22 -6.428 11.441 -7.659 168 3HD1 LEU 22 HD13 LEU 22 -6.903 12.794 -6.633 169 1HD2 LEU 22 HD21 LEU 22 -9.059 11.358 -5.040 170 2HD2 LEU 22 HD22 LEU 22 -7.796 12.391 -4.368 171 3HD2 LEU 22 HD23 LEU 22 -7.997 10.741 -3.774 172 H LEU 23 HN LEU 23 -7.184 8.828 -2.539 173 HA LEU 23 HA LEU 23 -10.005 7.996 -2.255 174 1HB LEU 23 HB2 LEU 23 -8.131 6.742 -1.025 175 2HB LEU 23 HB1 LEU 23 -7.968 8.173 -0.035 176 HG LEU 23 HG LEU 23 -10.576 6.679 -0.255 177 1HD1 LEU 23 HD11 LEU 23 -8.883 5.112 0.514 178 2HD1 LEU 23 HD12 LEU 23 -9.963 5.559 1.836 179 3HD1 LEU 23 HD13 LEU 23 -8.351 6.269 1.735 180 1HD2 LEU 23 HD21 LEU 23 -10.689 8.945 0.644 181 2HD2 LEU 23 HD22 LEU 23 -9.452 8.538 1.833 182 3HD2 LEU 23 HD23 LEU 23 -11.027 7.746 1.891 183 H GLY 24 HN GLY 24 -10.953 9.946 -2.725 184 1HA GLY 24 HA2 GLY 24 -11.947 11.925 -2.116 185 2HA GLY 24 HA1 GLY 24 -11.149 11.792 -0.558 186 H ASP 25 HN ASP 25 -8.938 12.492 -0.413 187 HA ASP 25 HA ASP 25 -8.346 14.674 -2.309 188 1HB ASP 25 HB2 ASP 25 -9.201 15.628 -0.256 189 2HB ASP 25 HB1 ASP 25 -8.106 14.647 0.709 190 H GLU 26 HN GLU 26 -7.209 11.902 -0.692 191 HA GLU 26 HA GLU 26 -4.413 12.712 -1.102 192 1HB GLU 26 HB2 GLU 26 -4.021 11.009 0.820 193 2HB GLU 26 HB1 GLU 26 -4.606 12.624 1.196 194 1HG GLU 26 HG2 GLU 26 -6.957 11.459 0.981 195 2HG GLU 26 HG1 GLU 26 -6.014 10.011 1.337 196 H GLN 27 HN GLN 27 -2.903 11.124 -1.670 197 HA GLN 27 HA GLN 27 -3.980 9.199 -3.546 198 1HB GLN 27 HB2 GLN 27 -1.112 9.902 -2.897 199 2HB GLN 27 HB1 GLN 27 -1.657 8.945 -4.266 200 1HG GLN 27 HG2 GLN 27 -2.433 11.814 -3.820 201 2HG GLN 27 HG1 GLN 27 -1.050 11.307 -4.787 202 1HE2 GLN 27 HE21 GLN 27 -1.859 12.201 -6.649 203 2HE2 GLN 27 HE22 GLN 27 -3.201 11.515 -7.504 204 H VAL 28 HN VAL 28 -4.125 7.063 -3.221 205 HA VAL 28 HA VAL 28 -2.753 5.929 -0.864 206 HB VAL 28 HB VAL 28 -5.501 5.120 -1.832 207 1HG1 VAL 28 HG11 VAL 28 -4.326 3.339 -0.678 208 2HG1 VAL 28 HG12 VAL 28 -5.637 3.956 0.327 209 3HG1 VAL 28 HG13 VAL 28 -3.972 4.417 0.672 210 1HG2 VAL 28 HG21 VAL 28 -4.775 6.853 0.523 211 2HG2 VAL 28 HG22 VAL 28 -6.394 6.284 0.111 212 3HG2 VAL 28 HG23 VAL 28 -5.549 7.400 -0.965 213 H ALA 29 HN ALA 29 -1.581 4.165 -1.238 214 HA ALA 29 HA ALA 29 -1.783 2.885 -3.876 215 1HB ALA 29 HB1 ALA 29 0.444 2.775 -1.842 216 2HB ALA 29 HB2 ALA 29 0.420 3.763 -3.301 217 3HB ALA 29 HB3 ALA 29 0.456 2.005 -3.428 218 H ILE 30 HN ILE 30 -2.621 0.917 -4.040 219 HA ILE 30 HA ILE 30 -3.194 -0.549 -1.551 220 HB ILE 30 HB ILE 30 -4.531 -0.872 -4.241 221 1HG1 ILE 30 HG12 ILE 30 -5.548 0.580 -1.789 222 2HG1 ILE 30 HG11 ILE 30 -4.910 1.373 -3.227 223 1HG2 ILE 30 HG21 ILE 30 -4.643 -2.856 -2.832 224 2HG2 ILE 30 HG22 ILE 30 -6.230 -2.098 -2.961 225 3HG2 ILE 30 HG23 ILE 30 -5.268 -1.889 -1.498 226 1HD1 ILE 30 HD11 ILE 30 -7.355 -0.376 -3.094 227 2HD1 ILE 30 HD12 ILE 30 -6.706 0.370 -4.554 228 3HD1 ILE 30 HD13 ILE 30 -7.323 1.381 -3.249 229 H PHE 31 HN PHE 31 -2.010 -2.290 -1.190 230 HA PHE 31 HA PHE 31 -0.774 -3.657 -3.494 231 1HB PHE 31 HB2 PHE 31 0.168 -3.579 -0.619 232 2HB PHE 31 HB1 PHE 31 0.975 -4.405 -1.945 233 HD1 PHE 31 HD1 PHE 31 2.126 -3.130 -3.681 234 HD2 PHE 31 HD2 PHE 31 0.356 -1.225 -0.314 235 HE1 PHE 31 HE1 PHE 31 3.437 -1.101 -4.143 236 HE2 PHE 31 HE2 PHE 31 1.661 0.808 -0.770 237 HZ PHE 31 HZ PHE 31 3.204 0.872 -2.687 238 H ARG 32 HN ARG 32 -1.472 -5.684 -3.879 239 HA ARG 32 HA ARG 32 -2.673 -7.157 -1.632 240 1HB ARG 32 HB2 ARG 32 -4.063 -6.969 -3.694 241 2HB ARG 32 HB1 ARG 32 -2.801 -7.807 -4.588 242 1HG ARG 32 HG2 ARG 32 -3.096 -9.764 -3.120 243 2HG ARG 32 HG1 ARG 32 -4.405 -8.922 -2.295 244 1HD ARG 32 HD2 ARG 32 -5.612 -8.788 -4.464 245 2HD ARG 32 HD1 ARG 32 -4.330 -9.759 -5.193 246 HE ARG 32 HE ARG 32 -5.496 -10.982 -2.874 247 1HH1 ARG 32 HH11 ARG 32 -5.848 -10.540 -6.336 248 2HH1 ARG 32 HH12 ARG 32 -6.817 -11.974 -6.545 249 1HH2 ARG 32 HH21 ARG 32 -6.802 -12.849 -3.150 250 2HH2 ARG 32 HH22 ARG 32 -7.323 -13.305 -4.745 251 HA PRO 33 HA PRO 33 1.247 -9.367 -2.021 252 1HB PRO 33 HB2 PRO 33 1.644 -9.695 0.638 253 2HB PRO 33 HB1 PRO 33 2.044 -8.206 -0.218 254 1HG PRO 33 HG2 PRO 33 -0.126 -8.730 1.684 255 2HG PRO 33 HG1 PRO 33 0.574 -7.187 1.173 256 1HD PRO 33 HD2 PRO 33 -1.865 -8.436 0.278 257 2HD PRO 33 HD1 PRO 33 -1.199 -6.857 -0.186 258 H TYR 34 HN TYR 34 -1.669 -10.202 -0.301 259 HA TYR 34 HA TYR 34 -0.914 -13.042 -0.372 260 1HB TYR 34 HB2 TYR 34 -3.112 -11.677 1.205 261 2HB TYR 34 HB1 TYR 34 -2.754 -13.398 1.238 262 HD1 TYR 34 HD1 TYR 34 -1.777 -10.103 2.425 263 HD2 TYR 34 HD2 TYR 34 -0.722 -14.222 2.352 264 HE1 TYR 34 HE1 TYR 34 -0.235 -9.734 4.302 265 HE2 TYR 34 HE2 TYR 34 0.825 -13.865 4.229 266 HH TYR 34 HH TYR 34 0.821 -10.987 6.088 267 H HIS 35 HN HIS 35 -1.876 -14.311 -1.819 268 HA HIS 35 HA HIS 35 -3.929 -13.249 -3.533 269 1HB HIS 35 HB2 HIS 35 -3.903 -15.602 -4.528 270 2HB HIS 35 HB1 HIS 35 -2.448 -14.636 -4.684 271 HD1 HIS 35 HD1 HIS 35 -1.060 -16.760 -5.041 272 HD2 HIS 35 HD2 HIS 35 -2.975 -16.606 -1.352 273 HE1 HIS 35 HE1 HIS 35 0.052 -18.509 -3.629 274 HE2 HIS 35 HE2 HIS 35 -0.961 -18.238 -1.344 275 H SER 36 HN SER 36 -4.528 -13.716 -0.646 276 HA SER 36 HA SER 36 -6.886 -15.414 -1.011 277 1HB SER 36 HB2 SER 36 -5.650 -14.348 1.542 278 2HB SER 36 HB1 SER 36 -7.083 -15.373 1.456 279 HG SER 36 HG SER 36 -5.867 -17.054 0.740 280 H ASP 37 HN ASP 37 -6.774 -12.903 1.416 281 HA ASP 37 HA ASP 37 -8.459 -11.126 -0.168 282 1HB ASP 37 HB2 ASP 37 -10.248 -11.115 1.542 283 2HB ASP 37 HB1 ASP 37 -10.066 -12.698 0.790 284 H GLN 38 HN GLN 38 -5.821 -11.219 1.362 285 HA GLN 38 HA GLN 38 -6.313 -9.013 3.231 286 1HB GLN 38 HB2 GLN 38 -5.208 -10.970 4.200 287 2HB GLN 38 HB1 GLN 38 -3.934 -10.866 2.995 288 1HG GLN 38 HG2 GLN 38 -3.188 -9.992 5.124 289 2HG GLN 38 HG1 GLN 38 -3.236 -8.718 3.909 290 1HE2 GLN 38 HE21 GLN 38 -6.133 -9.929 5.439 291 2HE2 GLN 38 HE22 GLN 38 -6.457 -8.507 6.368 292 H VAL 39 HN VAL 39 -5.922 -7.066 2.495 293 HA VAL 39 HA VAL 39 -3.695 -6.637 0.626 294 HB VAL 39 HB VAL 39 -5.019 -4.894 -0.527 295 1HG1 VAL 39 HG11 VAL 39 -6.290 -7.630 -0.558 296 2HG1 VAL 39 HG12 VAL 39 -4.897 -7.111 -1.508 297 3HG1 VAL 39 HG13 VAL 39 -6.481 -6.398 -1.805 298 1HG2 VAL 39 HG21 VAL 39 -6.589 -4.366 1.262 299 2HG2 VAL 39 HG22 VAL 39 -7.334 -5.957 1.092 300 3HG2 VAL 39 HG23 VAL 39 -7.444 -4.785 -0.223 301 H PHE 40 HN PHE 40 -2.697 -4.562 0.795 302 HA PHE 40 HA PHE 40 -3.365 -3.140 3.290 303 1HB PHE 40 HB2 PHE 40 -0.633 -3.689 2.112 304 2HB PHE 40 HB1 PHE 40 -0.928 -2.617 3.477 305 HD1 PHE 40 HD1 PHE 40 -1.541 -3.495 5.644 306 HD2 PHE 40 HD2 PHE 40 -0.811 -6.087 2.349 307 HE1 PHE 40 HE1 PHE 40 -1.379 -5.404 7.187 308 HE2 PHE 40 HE2 PHE 40 -0.647 -8.000 3.885 309 HZ PHE 40 HZ PHE 40 -0.930 -7.661 6.307 310 H ALA 41 HN ALA 41 -3.128 -0.878 3.277 311 HA ALA 41 HA ALA 41 -2.626 0.369 0.670 312 1HB ALA 41 HB1 ALA 41 -4.970 0.994 2.464 313 2HB ALA 41 HB2 ALA 41 -5.046 0.140 0.923 314 3HB ALA 41 HB3 ALA 41 -4.555 1.832 0.968 315 H ILE 42 HN ILE 42 -1.304 2.050 0.800 316 HA ILE 42 HA ILE 42 -1.120 3.551 3.318 317 HB ILE 42 HB ILE 42 1.349 3.708 3.047 318 1HG1 ILE 42 HG12 ILE 42 0.967 1.478 1.030 319 2HG1 ILE 42 HG11 ILE 42 1.439 3.129 0.643 320 1HG2 ILE 42 HG21 ILE 42 1.868 1.474 3.930 321 2HG2 ILE 42 HG22 ILE 42 0.271 0.917 3.426 322 3HG2 ILE 42 HG23 ILE 42 0.420 2.163 4.666 323 1HD1 ILE 42 HD11 ILE 42 3.345 1.616 0.640 324 2HD1 ILE 42 HD12 ILE 42 3.026 1.205 2.324 325 3HD1 ILE 42 HD13 ILE 42 3.505 2.847 1.893 326 H SER 43 HN SER 43 0.516 5.515 2.782 327 HA SER 43 HA SER 43 -0.706 7.112 0.820 328 1HB SER 43 HB2 SER 43 2.061 7.472 1.993 329 2HB SER 43 HB1 SER 43 1.022 8.725 1.323 330 HG SER 43 HG SER 43 -0.280 7.370 3.242 331 H ASN 44 HN ASN 44 -0.373 7.307 -1.321 332 HA ASN 44 HA ASN 44 1.202 5.281 -2.599 333 1HB ASN 44 HB2 ASN 44 -0.984 5.874 -3.473 334 2HB ASN 44 HB1 ASN 44 -0.457 7.530 -3.749 335 1HD2 ASN 44 HD21 ASN 44 0.688 8.015 -5.556 336 2HD2 ASN 44 HD22 ASN 44 1.033 6.886 -6.811 337 H ILE 45 HN ILE 45 1.654 8.654 -1.954 338 HA ILE 45 HA ILE 45 3.813 8.884 -3.927 339 HB ILE 45 HB ILE 45 2.620 10.985 -2.091 340 1HG1 ILE 45 HG12 ILE 45 0.993 10.138 -3.745 341 2HG1 ILE 45 HG11 ILE 45 1.421 11.820 -4.029 342 1HG2 ILE 45 HG21 ILE 45 3.738 12.608 -3.543 343 2HG2 ILE 45 HG22 ILE 45 4.478 11.283 -4.442 344 3HG2 ILE 45 HG23 ILE 45 4.887 11.532 -2.745 345 1HD1 ILE 45 HD11 ILE 45 1.259 10.570 -6.104 346 2HD1 ILE 45 HD12 ILE 45 2.505 9.455 -5.540 347 3HD1 ILE 45 HD13 ILE 45 2.902 11.148 -5.835 348 H ASP 46 HN ASP 46 5.937 8.820 -3.327 349 HA ASP 46 HA ASP 46 6.872 8.333 -0.734 350 1HB ASP 46 HB2 ASP 46 8.297 9.667 -3.052 351 2HB ASP 46 HB1 ASP 46 9.092 9.149 -1.573 352 HA PRO 47 HA PRO 47 5.900 12.244 1.086 353 1HB PRO 47 HB2 PRO 47 7.346 11.904 3.406 354 2HB PRO 47 HB1 PRO 47 5.728 11.257 3.124 355 1HG PRO 47 HG2 PRO 47 8.373 9.896 2.944 356 2HG PRO 47 HG1 PRO 47 6.824 9.271 3.540 357 1HD PRO 47 HD2 PRO 47 7.811 8.644 1.096 358 2HD PRO 47 HD1 PRO 47 6.072 8.766 1.423 359 H PHE 48 HN PHE 48 9.233 11.477 2.127 360 HA PHE 48 HA PHE 48 9.923 14.249 1.535 361 1HB PHE 48 HB2 PHE 48 11.367 12.108 3.099 362 2HB PHE 48 HB1 PHE 48 12.021 13.718 2.809 363 HD1 PHE 48 HD1 PHE 48 11.032 15.674 3.865 364 HD2 PHE 48 HD2 PHE 48 9.562 11.758 4.654 365 HE1 PHE 48 HE1 PHE 48 9.836 16.523 5.839 366 HE2 PHE 48 HE2 PHE 48 8.363 12.600 6.629 367 HZ PHE 48 HZ PHE 48 8.498 14.987 7.223 368 H PHE 49 HN PHE 49 10.559 11.047 0.382 369 HA PHE 49 HA PHE 49 12.910 11.730 -1.108 370 1HB PHE 49 HB2 PHE 49 12.355 9.416 -0.337 371 2HB PHE 49 HB1 PHE 49 11.036 9.385 -1.500 372 HD1 PHE 49 HD1 PHE 49 14.715 9.901 -1.297 373 HD2 PHE 49 HD2 PHE 49 11.412 8.556 -3.618 374 HE1 PHE 49 HE1 PHE 49 16.266 9.068 -3.016 375 HE2 PHE 49 HE2 PHE 49 12.955 7.723 -5.341 376 HZ PHE 49 HZ PHE 49 15.386 7.978 -5.041 377 H GLU 50 HN GLU 50 9.495 11.818 -1.655 378 HA GLU 50 HA GLU 50 8.187 12.641 -3.283 379 1HB GLU 50 HB2 GLU 50 10.728 14.073 -4.031 380 2HB GLU 50 HB1 GLU 50 9.191 14.359 -4.834 381 1HG GLU 50 HG2 GLU 50 8.241 14.908 -2.568 382 2HG GLU 50 HG1 GLU 50 9.897 14.882 -1.963 383 H SER 51 HN SER 51 7.657 10.790 -4.299 384 HA SER 51 HA SER 51 8.562 10.663 -7.042 385 1HB SER 51 HB2 SER 51 8.645 8.254 -5.207 386 2HB SER 51 HB1 SER 51 8.746 8.161 -6.966 387 HG SER 51 HG SER 51 10.487 9.910 -5.661 388 H SER 52 HN SER 52 7.044 8.844 -8.141 389 HA SER 52 HA SER 52 4.449 9.988 -7.584 390 1HB SER 52 HB2 SER 52 3.920 8.843 -9.832 391 2HB SER 52 HB1 SER 52 5.033 10.212 -9.835 392 HG SER 52 HG SER 52 6.047 8.659 -10.996 393 H VAL 53 HN VAL 53 5.792 6.765 -8.015 394 HA VAL 53 HA VAL 53 3.321 5.678 -6.880 395 HB VAL 53 HB VAL 53 3.586 3.725 -8.500 396 1HG1 VAL 53 HG11 VAL 53 2.364 4.899 -10.277 397 2HG1 VAL 53 HG12 VAL 53 2.841 6.447 -9.579 398 3HG1 VAL 53 HG13 VAL 53 1.786 5.359 -8.676 399 1HG2 VAL 53 HG21 VAL 53 5.288 5.768 -9.931 400 2HG2 VAL 53 HG22 VAL 53 4.706 4.254 -10.624 401 3HG2 VAL 53 HG23 VAL 53 5.838 4.227 -9.273 402 H LEU 54 HN LEU 54 3.677 4.484 -5.164 403 HA LEU 54 HA LEU 54 6.207 3.080 -4.814 404 1HB LEU 54 HB2 LEU 54 3.786 3.406 -3.040 405 2HB LEU 54 HB1 LEU 54 5.154 2.393 -2.616 406 HG LEU 54 HG LEU 54 5.281 5.369 -3.096 407 1HD1 LEU 54 HD11 LEU 54 5.651 5.520 -0.683 408 2HD1 LEU 54 HD12 LEU 54 5.386 3.781 -0.534 409 3HD1 LEU 54 HD13 LEU 54 4.069 4.834 -1.054 410 1HD2 LEU 54 HD21 LEU 54 7.346 4.202 -3.683 411 2HD2 LEU 54 HD22 LEU 54 7.364 3.433 -2.095 412 3HD2 LEU 54 HD23 LEU 54 7.552 5.182 -2.232 413 H SER 55 HN SER 55 3.331 2.526 -6.329 414 HA SER 55 HA SER 55 2.862 -0.184 -5.481 415 1HB SER 55 HB2 SER 55 1.141 0.018 -7.426 416 2HB SER 55 HB1 SER 55 0.898 0.956 -5.952 417 HG SER 55 HG SER 55 0.680 2.418 -7.554 418 H ARG 56 HN ARG 56 5.171 1.031 -7.419 419 HA ARG 56 HA ARG 56 5.012 -1.174 -9.357 420 1HB ARG 56 HB2 ARG 56 6.502 1.447 -9.565 421 2HB ARG 56 HB1 ARG 56 6.570 0.158 -10.759 422 1HG ARG 56 HG2 ARG 56 4.092 0.397 -11.024 423 2HG ARG 56 HG1 ARG 56 4.187 1.829 -9.997 424 1HD ARG 56 HD2 ARG 56 4.237 2.614 -12.222 425 2HD ARG 56 HD1 ARG 56 5.892 2.730 -11.629 426 HE ARG 56 HE ARG 56 4.908 0.603 -13.418 427 1HH1 ARG 56 HH11 ARG 56 7.456 2.709 -12.279 428 2HH1 ARG 56 HH12 ARG 56 8.600 2.200 -13.484 429 1HH2 ARG 56 HH21 ARG 56 6.388 -0.068 -15.008 430 2HH2 ARG 56 HH22 ARG 56 7.999 0.593 -15.019 431 H GLY 57 HN GLY 57 5.890 -1.730 -6.795 432 1HA GLY 57 HA2 GLY 57 8.720 -2.362 -7.314 433 2HA GLY 57 HA1 GLY 57 8.233 -1.701 -5.755 434 H LEU 58 HN LEU 58 9.507 -4.111 -5.810 435 HA LEU 58 HA LEU 58 7.489 -6.206 -5.940 436 1HB LEU 58 HB2 LEU 58 9.325 -7.786 -5.713 437 2HB LEU 58 HB1 LEU 58 9.615 -6.666 -7.026 438 HG LEU 58 HG LEU 58 10.846 -6.177 -4.332 439 1HD1 LEU 58 HD11 LEU 58 12.819 -7.427 -5.059 440 2HD1 LEU 58 HD12 LEU 58 11.958 -7.948 -6.507 441 3HD1 LEU 58 HD13 LEU 58 11.411 -8.479 -4.917 442 1HD2 LEU 58 HD21 LEU 58 10.948 -4.401 -6.019 443 2HD2 LEU 58 HD22 LEU 58 11.707 -5.521 -7.151 444 3HD2 LEU 58 HD23 LEU 58 12.548 -5.056 -5.673 445 H ILE 59 HN ILE 59 6.802 -7.410 -4.261 446 HA ILE 59 HA ILE 59 7.398 -6.402 -1.579 447 HB ILE 59 HB ILE 59 5.277 -8.391 -2.422 448 1HG1 ILE 59 HG12 ILE 59 4.963 -5.428 -1.886 449 2HG1 ILE 59 HG11 ILE 59 5.001 -6.148 -3.492 450 1HG2 ILE 59 HG21 ILE 59 4.254 -7.832 -0.258 451 2HG2 ILE 59 HG22 ILE 59 5.634 -6.797 0.115 452 3HG2 ILE 59 HG23 ILE 59 5.861 -8.537 -0.071 453 1HD1 ILE 59 HD11 ILE 59 2.728 -5.694 -2.811 454 2HD1 ILE 59 HD12 ILE 59 2.944 -6.668 -1.357 455 3HD1 ILE 59 HD13 ILE 59 2.988 -7.433 -2.947 456 H ALA 60 HN ALA 60 8.693 -7.519 -0.228 457 HA ALA 60 HA ALA 60 9.113 -10.381 -0.761 458 1HB ALA 60 HB1 ALA 60 11.318 -8.404 -0.188 459 2HB ALA 60 HB2 ALA 60 10.972 -9.129 -1.757 460 3HB ALA 60 HB3 ALA 60 11.506 -10.143 -0.417 461 H GLU 61 HN GLU 61 9.736 -11.621 1.029 462 HA GLU 61 HA GLU 61 9.078 -10.430 3.623 463 1HB GLU 61 HB2 GLU 61 8.173 -12.716 2.512 464 2HB GLU 61 HB1 GLU 61 9.592 -13.346 3.336 465 1HG GLU 61 HG2 GLU 61 7.354 -11.807 4.637 466 2HG GLU 61 HG1 GLU 61 7.556 -13.557 4.676 467 H HIS 62 HN HIS 62 10.553 -10.617 5.384 468 HA HIS 62 HA HIS 62 13.248 -11.533 4.724 469 1HB HIS 62 HB2 HIS 62 13.014 -9.130 3.996 470 2HB HIS 62 HB1 HIS 62 12.794 -8.709 5.692 471 HD1 HIS 62 HD1 HIS 62 14.885 -8.348 7.039 472 HD2 HIS 62 HD2 HIS 62 15.631 -10.292 3.444 473 HE1 HIS 62 HE1 HIS 62 17.387 -8.466 6.842 474 HE2 HIS 62 HE2 HIS 62 17.798 -9.866 4.786 475 H GLN 63 HN GLN 63 10.806 -10.893 7.079 476 HA GLN 63 HA GLN 63 12.277 -12.115 9.184 477 1HB GLN 63 HB2 GLN 63 12.524 -10.158 10.667 478 2HB GLN 63 HB1 GLN 63 13.509 -10.023 9.217 479 1HG GLN 63 HG2 GLN 63 11.776 -8.561 8.229 480 2HG GLN 63 HG1 GLN 63 10.889 -8.638 9.749 481 1HE2 GLN 63 HE21 GLN 63 13.345 -8.615 11.353 482 2HE2 GLN 63 HE22 GLN 63 13.922 -6.984 11.296 483 H GLY 64 HN GLY 64 9.617 -12.115 7.929 484 1HA GLY 64 HA2 GLY 64 7.539 -12.708 8.831 485 2HA GLY 64 HA1 GLY 64 8.024 -12.005 10.370 486 H GLU 65 HN GLU 65 8.683 -10.082 7.660 487 HA GLU 65 HA GLU 65 6.241 -8.506 8.031 488 1HB GLU 65 HB2 GLU 65 9.072 -7.480 8.231 489 2HB GLU 65 HB1 GLU 65 7.697 -6.429 7.923 490 1HG GLU 65 HG2 GLU 65 8.163 -8.122 10.365 491 2HG GLU 65 HG1 GLU 65 8.260 -6.365 10.255 492 H LEU 66 HN LEU 66 5.568 -7.395 6.232 493 HA LEU 66 HA LEU 66 6.700 -8.372 3.743 494 1HB LEU 66 HB2 LEU 66 4.220 -6.739 4.266 495 2HB LEU 66 HB1 LEU 66 4.690 -7.401 2.713 496 HG LEU 66 HG LEU 66 4.008 -9.034 5.158 497 1HD1 LEU 66 HD11 LEU 66 1.968 -9.606 3.945 498 2HD1 LEU 66 HD12 LEU 66 2.421 -8.491 2.657 499 3HD1 LEU 66 HD13 LEU 66 2.065 -7.875 4.269 500 1HD2 LEU 66 HD21 LEU 66 5.611 -10.146 3.685 501 2HD2 LEU 66 HD22 LEU 66 4.545 -9.871 2.308 502 3HD2 LEU 66 HD23 LEU 66 4.034 -10.933 3.620 503 H TRP 67 HN TRP 67 8.434 -7.269 3.139 504 HA TRP 67 HA TRP 67 8.396 -4.342 3.287 505 1HB TRP 67 HB2 TRP 67 10.636 -6.319 2.835 506 2HB TRP 67 HB1 TRP 67 10.842 -4.580 2.668 507 HD1 TRP 67 HD1 TRP 67 10.485 -7.315 5.295 508 HE1 TRP 67 HE1 TRP 67 11.021 -6.316 7.610 509 HE3 TRP 67 HE3 TRP 67 10.735 -2.372 4.016 510 HZ2 TRP 67 HZ2 TRP 67 11.489 -3.775 8.738 511 HZ3 TRP 67 HZ3 TRP 67 11.232 -0.722 5.771 512 HH2 TRP 67 HH2 TRP 67 11.599 -1.412 8.082 513 H VAL 68 HN VAL 68 7.894 -3.229 1.532 514 HA VAL 68 HA VAL 68 8.175 -4.517 -1.087 515 HB VAL 68 HB VAL 68 5.952 -3.600 -0.644 516 1HG1 VAL 68 HG11 VAL 68 7.336 -0.940 -0.353 517 2HG1 VAL 68 HG12 VAL 68 6.501 -1.836 0.917 518 3HG1 VAL 68 HG13 VAL 68 5.591 -1.180 -0.444 519 1HG2 VAL 68 HG21 VAL 68 6.740 -3.601 -2.939 520 2HG2 VAL 68 HG22 VAL 68 7.462 -2.008 -2.709 521 3HG2 VAL 68 HG23 VAL 68 5.709 -2.200 -2.639 522 H ALA 69 HN ALA 69 9.663 -3.861 -2.505 523 HA ALA 69 HA ALA 69 11.296 -1.529 -1.743 524 1HB ALA 69 HB1 ALA 69 12.483 -3.642 -1.441 525 2HB ALA 69 HB2 ALA 69 13.216 -2.669 -2.717 526 3HB ALA 69 HB3 ALA 69 12.198 -4.049 -3.134 527 H SER 70 HN SER 70 10.835 0.088 -3.053 528 HA SER 70 HA SER 70 10.065 -0.297 -5.789 529 1HB SER 70 HB2 SER 70 10.853 2.264 -4.374 530 2HB SER 70 HB1 SER 70 9.966 2.131 -5.893 531 HG SER 70 HG SER 70 8.602 2.486 -4.056 532 HA PRO 71 HA PRO 71 14.239 -0.715 -7.186 533 1HB PRO 71 HB2 PRO 71 13.202 -0.500 -9.903 534 2HB PRO 71 HB1 PRO 71 13.886 -1.900 -9.076 535 1HG PRO 71 HG2 PRO 71 11.261 -1.723 -9.710 536 2HG PRO 71 HG1 PRO 71 11.847 -2.594 -8.279 537 1HD PRO 71 HD2 PRO 71 10.660 0.153 -8.471 538 2HD PRO 71 HD1 PRO 71 10.359 -1.122 -7.269 539 H LEU 72 HN LEU 72 12.649 2.090 -7.172 540 HA LEU 72 HA LEU 72 13.880 3.610 -9.209 541 1HB LEU 72 HB2 LEU 72 12.645 4.401 -6.575 542 2HB LEU 72 HB1 LEU 72 13.315 5.577 -7.687 543 HG LEU 72 HG LEU 72 11.682 4.724 -9.418 544 1HD1 LEU 72 HD11 LEU 72 9.719 3.518 -8.636 545 2HD1 LEU 72 HD12 LEU 72 10.428 3.382 -7.028 546 3HD1 LEU 72 HD13 LEU 72 11.181 2.561 -8.395 547 1HD2 LEU 72 HD21 LEU 72 11.334 6.807 -8.214 548 2HD2 LEU 72 HD22 LEU 72 10.558 5.930 -6.894 549 3HD2 LEU 72 HD23 LEU 72 9.802 5.978 -8.487 550 H LYS 73 HN LYS 73 14.545 3.706 -5.699 551 HA LYS 73 HA LYS 73 17.409 3.846 -6.333 552 1HB LYS 73 HB2 LYS 73 15.815 5.778 -4.687 553 2HB LYS 73 HB1 LYS 73 17.508 5.494 -4.311 554 1HG LYS 73 HG2 LYS 73 16.485 6.367 -7.002 555 2HG LYS 73 HG1 LYS 73 17.122 7.455 -5.765 556 1HD LYS 73 HD2 LYS 73 19.272 6.321 -5.846 557 2HD LYS 73 HD1 LYS 73 18.640 5.163 -7.017 558 1HE LYS 73 HE2 LYS 73 18.811 8.138 -7.478 559 2HE LYS 73 HE1 LYS 73 20.023 6.975 -8.015 560 1HZ LYS 73 HZ1 LYS 73 18.326 5.880 -9.352 561 2HZ LYS 73 HZ2 LYS 73 18.491 7.511 -9.790 562 3HZ LYS 73 HZ3 LYS 73 17.169 7.018 -8.851 563 H LYS 74 HN LYS 74 15.483 1.826 -5.307 564 HA LYS 74 HA LYS 74 15.405 0.130 -3.827 565 1HB LYS 74 HB2 LYS 74 17.817 -0.050 -4.355 566 2HB LYS 74 HB1 LYS 74 18.175 1.044 -3.027 567 1HG LYS 74 HG2 LYS 74 17.317 -0.556 -1.429 568 2HG LYS 74 HG1 LYS 74 16.842 -1.640 -2.737 569 1HD LYS 74 HD2 LYS 74 19.192 -1.850 -3.405 570 2HD LYS 74 HD1 LYS 74 19.657 -0.776 -2.085 571 1HE LYS 74 HE2 LYS 74 18.839 -2.359 -0.455 572 2HE LYS 74 HE1 LYS 74 18.231 -3.409 -1.734 573 1HZ LYS 74 HZ1 LYS 74 20.492 -3.763 -2.485 574 2HZ LYS 74 HZ2 LYS 74 20.345 -4.187 -0.848 575 3HZ LYS 74 HZ3 LYS 74 21.089 -2.726 -1.283 576 H GLN 75 HN GLN 75 13.725 1.347 -2.822 577 HA GLN 75 HA GLN 75 14.454 2.348 -0.153 578 1HB GLN 75 HB2 GLN 75 12.214 3.561 -0.300 579 2HB GLN 75 HB1 GLN 75 13.506 4.165 -1.327 580 1HG GLN 75 HG2 GLN 75 12.040 2.186 -2.763 581 2HG GLN 75 HG1 GLN 75 10.910 3.352 -2.071 582 1HE2 GLN 75 HE21 GLN 75 10.917 5.469 -2.800 583 2HE2 GLN 75 HE22 GLN 75 11.807 5.962 -4.200 584 H ARG 76 HN ARG 76 13.576 1.383 1.592 585 HA ARG 76 HA ARG 76 11.930 -0.995 1.053 586 1HB ARG 76 HB2 ARG 76 13.500 -0.387 3.561 587 2HB ARG 76 HB1 ARG 76 12.840 -1.938 3.057 588 1HG ARG 76 HG2 ARG 76 14.434 -2.117 1.286 589 2HG ARG 76 HG1 ARG 76 15.003 -0.471 1.563 590 1HD ARG 76 HD2 ARG 76 16.622 -1.708 2.631 591 2HD ARG 76 HD1 ARG 76 15.522 -1.344 3.957 592 HE ARG 76 HE ARG 76 15.058 -3.858 2.592 593 1HH1 ARG 76 HH11 ARG 76 16.499 -2.206 5.307 594 2HH1 ARG 76 HH12 ARG 76 16.780 -3.659 6.218 595 1HH2 ARG 76 HH21 ARG 76 15.442 -5.777 3.763 596 2HH2 ARG 76 HH22 ARG 76 16.178 -5.685 5.334 597 H PHE 77 HN PHE 77 9.837 -0.776 1.452 598 HA PHE 77 HA PHE 77 9.012 0.841 3.782 599 1HB PHE 77 HB2 PHE 77 7.504 0.309 1.211 600 2HB PHE 77 HB1 PHE 77 6.836 1.146 2.607 601 HD1 PHE 77 HD1 PHE 77 9.172 1.363 -0.201 602 HD2 PHE 77 HD2 PHE 77 7.480 3.397 3.126 603 HE1 PHE 77 HE1 PHE 77 10.016 3.496 -1.078 604 HE2 PHE 77 HE2 PHE 77 8.324 5.537 2.255 605 HZ PHE 77 HZ PHE 77 9.594 5.589 0.147 606 H ARG 78 HN ARG 78 7.842 -0.177 5.334 607 HA ARG 78 HA ARG 78 7.231 -3.003 4.915 608 1HB ARG 78 HB2 ARG 78 8.397 -2.216 6.999 609 2HB ARG 78 HB1 ARG 78 6.930 -1.353 7.435 610 1HG ARG 78 HG2 ARG 78 5.703 -3.444 7.538 611 2HG ARG 78 HG1 ARG 78 7.143 -4.330 7.040 612 1HD ARG 78 HD2 ARG 78 6.918 -4.534 9.412 613 2HD ARG 78 HD1 ARG 78 8.293 -3.483 9.076 614 HE ARG 78 HE ARG 78 6.248 -1.739 9.425 615 1HH1 ARG 78 HH11 ARG 78 7.479 -4.400 11.301 616 2HH1 ARG 78 HH12 ARG 78 7.034 -3.725 12.834 617 1HH2 ARG 78 HH21 ARG 78 5.621 -0.811 11.444 618 2HH2 ARG 78 HH22 ARG 78 5.966 -1.676 12.913 619 H LEU 79 HN LEU 79 5.404 -3.038 3.635 620 HA LEU 79 HA LEU 79 3.324 -1.112 3.972 621 1HB LEU 79 HB2 LEU 79 2.116 -2.441 2.239 622 2HB LEU 79 HB1 LEU 79 3.695 -1.856 1.767 623 HG LEU 79 HG LEU 79 4.575 -4.185 2.291 624 1HD1 LEU 79 HD11 LEU 79 1.631 -4.838 2.241 625 2HD1 LEU 79 HD12 LEU 79 2.704 -4.984 3.634 626 3HD1 LEU 79 HD13 LEU 79 2.951 -6.009 2.222 627 1HD2 LEU 79 HD21 LEU 79 3.828 -5.070 0.141 628 2HD2 LEU 79 HD22 LEU 79 4.240 -3.358 0.025 629 3HD2 LEU 79 HD23 LEU 79 2.548 -3.858 0.087 630 H SER 80 HN SER 80 3.999 -3.989 5.566 631 HA SER 80 HA SER 80 1.315 -4.809 6.113 632 1HB SER 80 HB2 SER 80 2.563 -6.108 7.992 633 2HB SER 80 HB1 SER 80 2.878 -6.541 6.311 634 HG SER 80 HG SER 80 4.652 -5.851 8.106 635 H ASP 81 HN ASP 81 2.901 -2.107 6.972 636 HA ASP 81 HA ASP 81 1.242 -1.667 9.307 637 1HB ASP 81 HB2 ASP 81 3.123 -2.543 10.438 638 2HB ASP 81 HB1 ASP 81 4.251 -1.683 9.395 639 H GLY 82 HN GLY 82 3.768 -0.368 7.182 640 1HA GLY 82 HA2 GLY 82 3.057 1.625 5.868 641 2HA GLY 82 HA1 GLY 82 2.442 2.267 7.386 642 H LEU 83 HN LEU 83 4.898 0.945 8.658 643 HA LEU 83 HA LEU 83 6.482 3.212 8.912 644 1HB LEU 83 HB2 LEU 83 6.511 1.335 10.496 645 2HB LEU 83 HB1 LEU 83 7.299 0.331 9.293 646 HG LEU 83 HG LEU 83 9.192 2.022 9.304 647 1HD1 LEU 83 HD11 LEU 83 8.023 3.872 10.336 648 2HD1 LEU 83 HD12 LEU 83 9.402 3.396 11.329 649 3HD1 LEU 83 HD13 LEU 83 7.769 2.925 11.802 650 1HD2 LEU 83 HD21 LEU 83 8.640 0.481 11.836 651 2HD2 LEU 83 HD22 LEU 83 10.214 1.078 11.310 652 3HD2 LEU 83 HD23 LEU 83 9.380 -0.157 10.367 653 H CYS 84 HN CYS 84 7.969 4.116 7.706 654 HA CYS 84 HA CYS 84 9.062 2.650 5.399 655 1HB CYS 84 HB2 CYS 84 9.288 5.614 5.929 656 2HB CYS 84 HB1 CYS 84 9.442 4.767 4.392 657 HG CYS 84 HG CYS 84 6.458 4.122 5.508 658 H MET 85 HN MET 85 11.187 2.003 5.516 659 HA MET 85 HA MET 85 12.554 2.348 7.974 660 1HB MET 85 HB2 MET 85 12.774 0.379 6.416 661 2HB MET 85 HB1 MET 85 13.795 1.390 5.400 662 1HG MET 85 HG2 MET 85 15.366 1.678 7.218 663 2HG MET 85 HG1 MET 85 14.334 0.729 8.283 664 1HE MET 85 HE1 MET 85 17.324 0.029 8.100 665 2HE MET 85 HE2 MET 85 17.280 -1.720 7.877 666 3HE MET 85 HE3 MET 85 16.156 -0.944 8.994 667 H GLU 86 HN GLU 86 12.531 4.218 5.090 668 HA GLU 86 HA GLU 86 15.037 5.558 5.625 669 1HB GLU 86 HB2 GLU 86 12.804 6.152 3.676 670 2HB GLU 86 HB1 GLU 86 14.307 7.058 3.759 671 1HG GLU 86 HG2 GLU 86 14.079 4.122 3.146 672 2HG GLU 86 HG1 GLU 86 14.293 5.403 1.953 673 H ASP 87 HN ASP 87 11.600 6.269 5.913 674 HA ASP 87 HA ASP 87 12.211 8.920 7.000 675 1HB ASP 87 HB2 ASP 87 9.650 7.840 5.813 676 2HB ASP 87 HB1 ASP 87 9.855 9.466 6.457 677 H GLU 88 HN GLU 88 11.985 6.151 8.344 678 HA GLU 88 HA GLU 88 9.818 5.515 9.710 679 1HB GLU 88 HB2 GLU 88 11.257 4.664 11.536 680 2HB GLU 88 HB1 GLU 88 11.822 4.247 9.926 681 1HG GLU 88 HG2 GLU 88 13.429 6.134 10.066 682 2HG GLU 88 HG1 GLU 88 12.924 6.380 11.737 683 H GLN 89 HN GLN 89 11.822 8.266 10.742 684 HA GLN 89 HA GLN 89 10.640 8.707 13.240 685 1HB GLN 89 HB2 GLN 89 11.822 10.686 11.286 686 2HB GLN 89 HB1 GLN 89 11.389 11.077 12.945 687 1HG GLN 89 HG2 GLN 89 13.438 9.049 12.079 688 2HG GLN 89 HG1 GLN 89 13.769 10.655 12.728 689 1HE2 GLN 89 HE21 GLN 89 13.431 11.048 14.921 690 2HE2 GLN 89 HE22 GLN 89 13.251 9.767 16.068 691 H PHE 90 HN PHE 90 9.449 9.307 10.065 692 HA PHE 90 HA PHE 90 7.024 10.546 11.196 693 1HB PHE 90 HB2 PHE 90 8.166 11.075 8.442 694 2HB PHE 90 HB1 PHE 90 6.763 11.850 9.165 695 HD1 PHE 90 HD1 PHE 90 10.350 11.859 8.841 696 HD2 PHE 90 HD2 PHE 90 7.085 13.416 11.083 697 HE1 PHE 90 HE1 PHE 90 11.803 13.644 9.709 698 HE2 PHE 90 HE2 PHE 90 8.533 15.204 11.955 699 HZ PHE 90 HZ PHE 90 10.895 15.319 11.266 700 H SER 91 HN SER 91 8.273 8.890 8.313 701 HA SER 91 HA SER 91 7.490 7.240 6.990 702 1HB SER 91 HB2 SER 91 5.720 6.593 9.357 703 2HB SER 91 HB1 SER 91 5.970 5.549 7.958 704 HG SER 91 HG SER 91 7.683 6.156 10.070 705 H VAL 92 HN VAL 92 5.341 6.284 6.050 706 HA VAL 92 HA VAL 92 3.655 8.552 5.340 707 HB VAL 92 HB VAL 92 2.688 7.086 3.633 708 1HG1 VAL 92 HG11 VAL 92 4.677 8.341 3.058 709 2HG1 VAL 92 HG12 VAL 92 4.689 6.775 2.246 710 3HG1 VAL 92 HG13 VAL 92 5.699 7.039 3.667 711 1HG2 VAL 92 HG21 VAL 92 2.776 4.961 4.796 712 2HG2 VAL 92 HG22 VAL 92 4.540 4.973 4.737 713 3HG2 VAL 92 HG23 VAL 92 3.607 4.834 3.244 714 H LYS 93 HN LYS 93 1.253 8.074 5.142 715 HA LYS 93 HA LYS 93 0.415 6.851 7.647 716 1HB LYS 93 HB2 LYS 93 -1.820 7.875 7.071 717 2HB LYS 93 HB1 LYS 93 -0.518 8.987 7.409 718 1HG LYS 93 HG2 LYS 93 -0.245 9.433 5.052 719 2HG LYS 93 HG1 LYS 93 -1.514 8.264 4.675 720 1HD LYS 93 HD2 LYS 93 -3.166 9.585 5.754 721 2HD LYS 93 HD1 LYS 93 -1.949 10.640 6.468 722 1HE LYS 93 HE2 LYS 93 -1.381 11.513 4.284 723 2HE LYS 93 HE1 LYS 93 -2.507 10.392 3.516 724 1HZ LYS 93 HZ1 LYS 93 -3.355 12.712 3.856 725 2HZ LYS 93 HZ2 LYS 93 -3.354 12.406 5.525 726 3HZ LYS 93 HZ3 LYS 93 -4.338 11.486 4.489 727 H HIS 94 HN HIS 94 -0.501 4.950 7.772 728 HA HIS 94 HA HIS 94 -1.180 3.557 5.311 729 1HB HIS 94 HB2 HIS 94 -1.177 1.538 6.549 730 2HB HIS 94 HB1 HIS 94 0.171 2.468 7.186 731 HD1 HIS 94 HD1 HIS 94 -3.113 0.999 8.128 732 HD2 HIS 94 HD2 HIS 94 -0.178 3.392 9.850 733 HE1 HIS 94 HE1 HIS 94 -3.618 1.024 10.588 734 HE2 HIS 94 HE2 HIS 94 -1.740 2.346 11.625 735 H TYR 95 HN TYR 95 -3.190 2.577 4.977 736 HA TYR 95 HA TYR 95 -5.396 3.899 6.402 737 1HB TYR 95 HB2 TYR 95 -5.257 2.924 3.537 738 2HB TYR 95 HB1 TYR 95 -6.695 3.592 4.297 739 HD1 TYR 95 HD1 TYR 95 -3.098 4.556 3.862 740 HD2 TYR 95 HD2 TYR 95 -7.167 5.792 3.777 741 HE1 TYR 95 HE1 TYR 95 -2.387 6.812 3.195 742 HE2 TYR 95 HE2 TYR 95 -6.468 8.051 3.101 743 HH TYR 95 HH TYR 95 -4.610 9.479 3.100 744 H GLU 96 HN GLU 96 -7.465 2.560 6.262 745 HA GLU 96 HA GLU 96 -6.769 -0.215 6.905 746 1HB GLU 96 HB2 GLU 96 -9.181 1.468 7.600 747 2HB GLU 96 HB1 GLU 96 -9.036 -0.244 7.988 748 1HG GLU 96 HG2 GLU 96 -7.247 0.136 9.467 749 2HG GLU 96 HG1 GLU 96 -7.005 1.778 8.873 750 H ALA 97 HN ALA 97 -7.635 -1.914 5.800 751 HA ALA 97 HA ALA 97 -9.440 -1.280 3.569 752 1HB ALA 97 HB1 ALA 97 -6.859 -2.814 3.300 753 2HB ALA 97 HB2 ALA 97 -7.161 -1.184 2.701 754 3HB ALA 97 HB3 ALA 97 -8.046 -2.550 2.024 755 H ARG 98 HN ARG 98 -10.786 -2.899 2.925 756 HA ARG 98 HA ARG 98 -10.346 -5.615 3.820 757 1HB ARG 98 HB2 ARG 98 -12.613 -5.870 4.771 758 2HB ARG 98 HB1 ARG 98 -11.614 -4.770 5.707 759 1HG ARG 98 HG2 ARG 98 -12.767 -2.869 4.828 760 2HG ARG 98 HG1 ARG 98 -13.655 -3.878 3.685 761 1HD ARG 98 HD2 ARG 98 -13.840 -4.247 6.665 762 2HD ARG 98 HD1 ARG 98 -14.905 -3.160 5.774 763 HE ARG 98 HE ARG 98 -15.649 -5.136 4.509 764 1HH1 ARG 98 HH11 ARG 98 -14.166 -5.594 7.652 765 2HH1 ARG 98 HH12 ARG 98 -14.881 -7.166 7.890 766 1HH2 ARG 98 HH21 ARG 98 -16.598 -7.180 4.822 767 2HH2 ARG 98 HH22 ARG 98 -16.278 -8.063 6.288 768 H VAL 99 HN VAL 99 -11.358 -7.128 2.556 769 HA VAL 99 HA VAL 99 -12.292 -6.140 -0.009 770 HB VAL 99 HB VAL 99 -11.888 -8.987 0.923 771 1HG1 VAL 99 HG11 VAL 99 -11.858 -9.530 -1.472 772 2HG1 VAL 99 HG12 VAL 99 -12.242 -7.850 -1.848 773 3HG1 VAL 99 HG13 VAL 99 -13.404 -8.845 -0.970 774 1HG2 VAL 99 HG21 VAL 99 -9.810 -7.706 0.997 775 2HG2 VAL 99 HG22 VAL 99 -10.057 -7.198 -0.674 776 3HG2 VAL 99 HG23 VAL 99 -9.776 -8.899 -0.301 777 H LYS 100 HN LYS 100 -14.331 -5.473 0.008 778 HA LYS 100 HA LYS 100 -16.367 -6.917 1.525 779 1HB LYS 100 HB2 LYS 100 -16.168 -4.374 1.443 780 2HB LYS 100 HB1 LYS 100 -16.727 -4.485 -0.216 781 1HG LYS 100 HG2 LYS 100 -18.791 -5.597 0.616 782 2HG LYS 100 HG1 LYS 100 -18.238 -5.271 2.264 783 1HD LYS 100 HD2 LYS 100 -19.452 -3.380 1.988 784 2HD LYS 100 HD1 LYS 100 -17.978 -2.819 1.204 785 1HE LYS 100 HE2 LYS 100 -20.454 -3.915 -0.117 786 2HE LYS 100 HE1 LYS 100 -19.837 -2.267 -0.197 787 1HZ LYS 100 HZ1 LYS 100 -18.564 -4.690 -1.354 788 2HZ LYS 100 HZ2 LYS 100 -17.877 -3.138 -1.373 789 3HZ LYS 100 HZ3 LYS 100 -19.318 -3.440 -2.212 790 H ASP 101 HN ASP 101 -17.065 -8.687 0.508 791 HA ASP 101 HA ASP 101 -17.913 -10.099 -1.027 792 1HB ASP 101 HB2 ASP 101 -19.738 -9.304 -2.405 793 2HB ASP 101 HB1 ASP 101 -19.827 -8.572 -0.813 794 H GLY 102 HN GLY 102 -15.356 -8.618 -1.733 795 1HA GLY 102 HA2 GLY 102 -13.986 -9.581 -3.504 796 2HA GLY 102 HA1 GLY 102 -15.374 -9.430 -4.571 797 H VAL 103 HN VAL 103 -15.608 -6.698 -2.953 798 HA VAL 103 HA VAL 103 -13.975 -5.224 -4.896 799 HB VAL 103 HB VAL 103 -16.162 -4.118 -3.130 800 1HG1 VAL 103 HG11 VAL 103 -16.190 -2.296 -4.777 801 2HG1 VAL 103 HG12 VAL 103 -14.842 -3.057 -5.623 802 3HG1 VAL 103 HG13 VAL 103 -14.626 -2.453 -3.979 803 1HG2 VAL 103 HG21 VAL 103 -16.370 -5.132 -5.966 804 2HG2 VAL 103 HG22 VAL 103 -17.625 -4.238 -5.110 805 3HG2 VAL 103 HG23 VAL 103 -17.137 -5.834 -4.540 806 H VAL 104 HN VAL 104 -12.343 -3.923 -4.261 807 HA VAL 104 HA VAL 104 -11.388 -4.132 -1.556 808 HB VAL 104 HB VAL 104 -10.381 -2.300 -3.748 809 1HG1 VAL 104 HG11 VAL 104 -8.288 -2.320 -2.483 810 2HG1 VAL 104 HG12 VAL 104 -9.044 -3.319 -1.242 811 3HG1 VAL 104 HG13 VAL 104 -9.618 -1.676 -1.522 812 1HG2 VAL 104 HG21 VAL 104 -10.339 -4.596 -4.522 813 2HG2 VAL 104 HG22 VAL 104 -9.538 -5.111 -3.038 814 3HG2 VAL 104 HG23 VAL 104 -8.697 -4.054 -4.173 815 H GLN 105 HN GLN 105 -12.099 -2.939 0.085 816 HA GLN 105 HA GLN 105 -13.169 -0.243 -0.454 817 1HB GLN 105 HB2 GLN 105 -13.595 -1.852 2.061 818 2HB GLN 105 HB1 GLN 105 -14.507 -0.457 1.501 819 1HG GLN 105 HG2 GLN 105 -14.479 -3.032 -0.024 820 2HG GLN 105 HG1 GLN 105 -15.575 -2.770 1.326 821 1HE2 GLN 105 HE21 GLN 105 -16.005 0.030 0.760 822 2HE2 GLN 105 HE22 GLN 105 -17.005 0.096 -0.647 823 H LEU 106 HN LEU 106 -12.165 1.478 0.454 824 HA LEU 106 HA LEU 106 -10.010 0.922 2.396 825 1HB LEU 106 HB2 LEU 106 -10.190 3.148 0.368 826 2HB LEU 106 HB1 LEU 106 -8.926 2.986 1.568 827 HG LEU 106 HG LEU 106 -9.446 1.152 -0.768 828 1HD1 LEU 106 HD11 LEU 106 -7.175 3.016 -0.100 829 2HD1 LEU 106 HD12 LEU 106 -8.373 3.236 -1.374 830 3HD1 LEU 106 HD13 LEU 106 -7.214 1.911 -1.470 831 1HD2 LEU 106 HD21 LEU 106 -7.350 0.936 1.393 832 2HD2 LEU 106 HD22 LEU 106 -7.467 -0.078 -0.047 833 3HD2 LEU 106 HD23 LEU 106 -8.731 -0.141 1.181 834 H ARG 107 HN ARG 107 -10.069 1.953 4.302 835 HA ARG 107 HA ARG 107 -12.022 4.139 4.618 836 1HB ARG 107 HB2 ARG 107 -12.534 2.267 6.077 837 2HB ARG 107 HB1 ARG 107 -10.882 2.242 6.680 838 1HG ARG 107 HG2 ARG 107 -11.230 4.475 7.649 839 2HG ARG 107 HG1 ARG 107 -12.906 4.427 7.097 840 1HD ARG 107 HD2 ARG 107 -13.338 2.488 8.480 841 2HD ARG 107 HD1 ARG 107 -11.646 2.440 8.987 842 HE ARG 107 HE ARG 107 -13.394 4.730 9.607 843 1HH1 ARG 107 HH11 ARG 107 -11.103 2.285 10.590 844 2HH1 ARG 107 HH12 ARG 107 -10.988 2.863 12.217 845 1HH2 ARG 107 HH21 ARG 107 -13.250 5.496 11.767 846 2HH2 ARG 107 HH22 ARG 107 -12.218 4.677 12.889 847 H GLY 108 HN GLY 108 -11.175 6.082 4.745 848 1HA GLY 108 HA2 GLY 108 -8.795 6.518 6.376 849 2HA GLY 108 HA1 GLY 108 -8.698 7.021 4.691 850 H GLY 109 HN GLY 109 -10.130 8.647 3.940 851 1HA GLY 109 HA2 GLY 109 -11.127 10.386 6.097 852 2HA GLY 109 HA1 GLY 109 -10.610 10.948 4.513 853 H SER 110 HN SER 110 -12.418 11.863 3.722 854 HA SER 110 HA SER 110 -14.574 10.075 2.993 855 1HB SER 110 HB2 SER 110 -15.086 12.611 4.574 856 2HB SER 110 HB1 SER 110 -16.330 11.611 3.823 857 HG SER 110 HG SER 110 -14.738 10.066 5.320 Start of MODEL 18 1 HA MET 1 HA MET 1 -17.795 9.730 8.291 2 1HB MET 1 HB2 MET 1 -17.761 11.534 9.983 3 2HB MET 1 HB1 MET 1 -16.621 10.603 10.942 4 1HG MET 1 HG2 MET 1 -14.982 10.753 9.128 5 2HG MET 1 HG1 MET 1 -16.127 11.702 8.182 6 1HE MET 1 HE1 MET 1 -13.077 12.562 8.984 7 2HE MET 1 HE2 MET 1 -13.338 14.280 9.285 8 3HE MET 1 HE3 MET 1 -14.128 13.495 7.916 9 H SER 2 HN SER 2 -17.479 7.375 8.002 10 HA SER 2 HA SER 2 -14.651 6.783 8.398 11 1HB SER 2 HB2 SER 2 -16.666 4.596 8.902 12 2HB SER 2 HB1 SER 2 -14.954 4.627 9.303 13 HG SER 2 HG SER 2 -17.095 5.950 10.587 14 H GLN 3 HN GLN 3 -15.120 7.614 6.153 15 HA GLN 3 HA GLN 3 -16.826 6.328 4.363 16 1HB GLN 3 HB2 GLN 3 -14.293 7.839 3.704 17 2HB GLN 3 HB1 GLN 3 -15.604 7.488 2.594 18 1HG GLN 3 HG2 GLN 3 -16.122 9.628 3.120 19 2HG GLN 3 HG1 GLN 3 -17.021 8.797 4.387 20 1HE2 GLN 3 HE21 GLN 3 -15.901 11.510 4.259 21 2HE2 GLN 3 HE22 GLN 3 -14.880 11.657 5.649 22 H TRP 4 HN TRP 4 -16.704 4.188 4.005 23 HA TRP 4 HA TRP 4 -14.182 2.942 3.321 24 1HB TRP 4 HB2 TRP 4 -17.034 1.946 3.311 25 2HB TRP 4 HB1 TRP 4 -15.701 0.986 2.683 26 HD1 TRP 4 HD1 TRP 4 -17.475 1.840 5.858 27 HE1 TRP 4 HE1 TRP 4 -16.325 0.667 7.843 28 HE3 TRP 4 HE3 TRP 4 -13.188 0.313 3.530 29 HZ2 TRP 4 HZ2 TRP 4 -13.916 -0.702 8.352 30 HZ3 TRP 4 HZ3 TRP 4 -11.511 -0.917 4.838 31 HH2 TRP 4 HH2 TRP 4 -11.868 -1.413 7.199 32 H LYS 5 HN LYS 5 -13.529 4.224 1.574 33 HA LYS 5 HA LYS 5 -15.199 4.658 -0.698 34 1HB LYS 5 HB2 LYS 5 -13.467 6.251 -0.276 35 2HB LYS 5 HB1 LYS 5 -12.237 4.998 -0.233 36 1HG LYS 5 HG2 LYS 5 -12.058 6.243 -2.280 37 2HG LYS 5 HG1 LYS 5 -12.587 4.600 -2.636 38 1HD LYS 5 HD2 LYS 5 -14.913 5.423 -2.802 39 2HD LYS 5 HD1 LYS 5 -14.327 7.066 -2.528 40 1HE LYS 5 HE2 LYS 5 -12.938 6.893 -4.550 41 2HE LYS 5 HE1 LYS 5 -13.546 5.262 -4.821 42 1HZ LYS 5 HZ1 LYS 5 -15.135 7.773 -4.870 43 2HZ LYS 5 HZ2 LYS 5 -15.794 6.214 -5.008 44 3HZ LYS 5 HZ3 LYS 5 -14.734 6.793 -6.200 45 H ASP 6 HN ASP 6 -15.878 2.976 -1.834 46 HA ASP 6 HA ASP 6 -14.389 0.618 -2.309 47 1HB ASP 6 HB2 ASP 6 -16.104 0.125 -4.023 48 2HB ASP 6 HB1 ASP 6 -16.818 0.616 -2.494 49 H ILE 7 HN ILE 7 -12.735 0.305 -3.606 50 HA ILE 7 HA ILE 7 -11.967 2.474 -5.421 51 HB ILE 7 HB ILE 7 -10.362 0.097 -4.475 52 1HG1 ILE 7 HG12 ILE 7 -10.978 1.628 -2.646 53 2HG1 ILE 7 HG11 ILE 7 -9.250 1.660 -2.972 54 1HG2 ILE 7 HG21 ILE 7 -8.428 1.338 -5.328 55 2HG2 ILE 7 HG22 ILE 7 -9.507 2.597 -5.930 56 3HG2 ILE 7 HG23 ILE 7 -9.582 0.973 -6.612 57 1HD1 ILE 7 HD11 ILE 7 -11.258 3.704 -3.884 58 2HD1 ILE 7 HD12 ILE 7 -9.526 3.739 -4.216 59 3HD1 ILE 7 HD13 ILE 7 -10.109 3.886 -2.558 60 H CYS 8 HN CYS 8 -11.525 -1.027 -5.500 61 HA CYS 8 HA CYS 8 -12.779 -1.284 -8.083 62 1HB CYS 8 HB2 CYS 8 -10.759 -2.236 -9.151 63 2HB CYS 8 HB1 CYS 8 -10.534 -0.543 -8.725 64 HG CYS 8 HG CYS 8 -8.596 -3.003 -8.053 65 H LYS 9 HN LYS 9 -11.534 -3.875 -8.623 66 HA LYS 9 HA LYS 9 -12.825 -5.260 -6.364 67 1HB LYS 9 HB2 LYS 9 -12.488 -6.126 -9.236 68 2HB LYS 9 HB1 LYS 9 -13.099 -7.172 -7.962 69 1HG LYS 9 HG2 LYS 9 -14.908 -5.467 -7.578 70 2HG LYS 9 HG1 LYS 9 -14.356 -4.673 -9.056 71 1HD LYS 9 HD2 LYS 9 -16.203 -6.126 -9.584 72 2HD LYS 9 HD1 LYS 9 -14.727 -6.797 -10.278 73 1HE LYS 9 HE2 LYS 9 -14.541 -8.304 -8.327 74 2HE LYS 9 HE1 LYS 9 -16.074 -7.674 -7.726 75 1HZ LYS 9 HZ1 LYS 9 -15.665 -9.125 -10.290 76 2HZ LYS 9 HZ2 LYS 9 -17.143 -8.492 -9.749 77 3HZ LYS 9 HZ3 LYS 9 -16.399 -9.748 -8.897 78 H ILE 10 HN ILE 10 -11.979 -7.409 -5.854 79 HA ILE 10 HA ILE 10 -9.145 -7.349 -5.509 80 HB ILE 10 HB ILE 10 -10.850 -8.399 -3.930 81 1HG1 ILE 10 HG12 ILE 10 -9.331 -10.256 -3.282 82 2HG1 ILE 10 HG11 ILE 10 -8.465 -10.041 -4.801 83 1HG2 ILE 10 HG21 ILE 10 -11.449 -10.740 -4.342 84 2HG2 ILE 10 HG22 ILE 10 -10.724 -10.636 -5.945 85 3HG2 ILE 10 HG23 ILE 10 -12.138 -9.658 -5.551 86 1HD1 ILE 10 HD11 ILE 10 -8.723 -7.999 -2.607 87 2HD1 ILE 10 HD12 ILE 10 -7.859 -7.771 -4.129 88 3HD1 ILE 10 HD13 ILE 10 -7.296 -8.972 -2.966 89 H ASP 11 HN ASP 11 -11.174 -8.178 -7.997 90 HA ASP 11 HA ASP 11 -9.803 -10.372 -9.181 91 1HB ASP 11 HB2 ASP 11 -11.749 -8.373 -10.353 92 2HB ASP 11 HB1 ASP 11 -11.199 -9.831 -11.169 93 H ASP 12 HN ASP 12 -9.608 -6.857 -9.499 94 HA ASP 12 HA ASP 12 -7.804 -7.149 -11.771 95 1HB ASP 12 HB2 ASP 12 -7.938 -4.727 -12.019 96 2HB ASP 12 HB1 ASP 12 -9.545 -5.418 -11.928 97 H ILE 13 HN ILE 13 -7.573 -7.131 -8.483 98 HA ILE 13 HA ILE 13 -4.799 -6.156 -8.575 99 HB ILE 13 HB ILE 13 -6.394 -6.849 -6.099 100 1HG1 ILE 13 HG12 ILE 13 -5.855 -4.144 -7.350 101 2HG1 ILE 13 HG11 ILE 13 -7.419 -4.948 -7.278 102 1HG2 ILE 13 HG21 ILE 13 -3.798 -5.356 -6.483 103 2HG2 ILE 13 HG22 ILE 13 -3.975 -6.983 -5.825 104 3HG2 ILE 13 HG23 ILE 13 -4.623 -5.600 -4.943 105 1HD1 ILE 13 HD11 ILE 13 -5.812 -3.992 -4.923 106 2HD1 ILE 13 HD12 ILE 13 -7.375 -4.804 -4.843 107 3HD1 ILE 13 HD13 ILE 13 -7.244 -3.215 -5.597 108 H LEU 14 HN LEU 14 -3.848 -7.859 -9.545 109 HA LEU 14 HA LEU 14 -4.283 -10.571 -8.942 110 1HB LEU 14 HB2 LEU 14 -1.802 -9.274 -10.079 111 2HB LEU 14 HB1 LEU 14 -2.231 -10.971 -10.201 112 HG LEU 14 HG LEU 14 -3.840 -8.727 -11.423 113 1HD1 LEU 14 HD11 LEU 14 -1.654 -8.859 -12.470 114 2HD1 LEU 14 HD12 LEU 14 -2.905 -9.462 -13.558 115 3HD1 LEU 14 HD13 LEU 14 -1.856 -10.594 -12.706 116 1HD2 LEU 14 HD21 LEU 14 -4.939 -10.521 -12.660 117 2HD2 LEU 14 HD22 LEU 14 -5.139 -10.734 -10.920 118 3HD2 LEU 14 HD23 LEU 14 -3.968 -11.717 -11.801 119 HA PRO 15 HA PRO 15 -2.164 -11.190 -5.102 120 1HB PRO 15 HB2 PRO 15 -1.132 -13.686 -6.343 121 2HB PRO 15 HB1 PRO 15 -2.028 -13.463 -4.837 122 1HG PRO 15 HG2 PRO 15 -3.228 -14.480 -6.984 123 2HG PRO 15 HG1 PRO 15 -4.079 -13.347 -5.918 124 1HD PRO 15 HD2 PRO 15 -2.830 -12.859 -8.594 125 2HD PRO 15 HD1 PRO 15 -4.348 -12.224 -7.924 126 H GLU 16 HN GLU 16 -0.327 -10.367 -4.426 127 HA GLU 16 HA GLU 16 1.857 -9.842 -4.189 128 1HB GLU 16 HB2 GLU 16 2.296 -11.733 -6.509 129 2HB GLU 16 HB1 GLU 16 3.585 -10.962 -5.592 130 1HG GLU 16 HG2 GLU 16 2.979 -12.121 -3.608 131 2HG GLU 16 HG1 GLU 16 1.489 -12.713 -4.337 132 H THR 17 HN THR 17 -0.036 -8.348 -5.729 133 HA THR 17 HA THR 17 1.858 -6.766 -7.338 134 HB THR 17 HB THR 17 -1.029 -6.860 -8.137 135 HG1 THR 17 HG1 THR 17 -0.662 -8.972 -8.372 136 1HG2 THR 17 HG21 THR 17 -0.099 -6.352 -10.346 137 2HG2 THR 17 HG22 THR 17 1.533 -6.459 -9.687 138 3HG2 THR 17 HG23 THR 17 0.444 -5.183 -9.140 139 H GLY 18 HN GLY 18 1.408 -4.495 -7.375 140 1HA GLY 18 HA2 GLY 18 -0.532 -3.607 -5.331 141 2HA GLY 18 HA1 GLY 18 0.988 -2.781 -5.654 142 H VAL 19 HN VAL 19 -1.888 -1.896 -5.816 143 HA VAL 19 HA VAL 19 -1.816 -1.007 -8.628 144 HB VAL 19 HB VAL 19 -4.266 -0.794 -8.570 145 1HG1 VAL 19 HG11 VAL 19 -3.263 -3.546 -7.859 146 2HG1 VAL 19 HG12 VAL 19 -3.294 -2.825 -9.469 147 3HG1 VAL 19 HG13 VAL 19 -4.805 -3.186 -8.635 148 1HG2 VAL 19 HG21 VAL 19 -4.059 -2.110 -5.864 149 2HG2 VAL 19 HG22 VAL 19 -5.555 -1.814 -6.751 150 3HG2 VAL 19 HG23 VAL 19 -4.583 -0.456 -6.183 151 H CYS 20 HN CYS 20 -2.441 1.109 -9.082 152 HA CYS 20 HA CYS 20 -1.943 2.981 -6.921 153 1HB CYS 20 HB2 CYS 20 -0.804 3.313 -9.074 154 2HB CYS 20 HB1 CYS 20 -2.359 3.438 -9.887 155 HG CYS 20 HG CYS 20 -2.051 6.015 -9.852 156 H ALA 21 HN ALA 21 -3.590 3.684 -5.731 157 HA ALA 21 HA ALA 21 -6.196 4.072 -7.048 158 1HB ALA 21 HB1 ALA 21 -5.720 3.140 -4.219 159 2HB ALA 21 HB2 ALA 21 -6.265 2.129 -5.557 160 3HB ALA 21 HB3 ALA 21 -7.291 3.435 -4.964 161 H LEU 22 HN LEU 22 -7.597 5.631 -5.815 162 HA LEU 22 HA LEU 22 -5.997 7.715 -4.499 163 1HB LEU 22 HB2 LEU 22 -8.124 8.147 -6.603 164 2HB LEU 22 HB1 LEU 22 -7.377 9.421 -5.663 165 HG LEU 22 HG LEU 22 -5.950 7.631 -7.636 166 1HD1 LEU 22 HD11 LEU 22 -5.762 9.648 -8.991 167 2HD1 LEU 22 HD12 LEU 22 -6.706 10.545 -7.803 168 3HD1 LEU 22 HD13 LEU 22 -7.453 9.229 -8.713 169 1HD2 LEU 22 HD21 LEU 22 -4.965 9.984 -6.029 170 2HD2 LEU 22 HD22 LEU 22 -4.063 9.166 -7.305 171 3HD2 LEU 22 HD23 LEU 22 -4.482 8.300 -5.826 172 H LEU 23 HN LEU 23 -6.769 8.091 -2.530 173 HA LEU 23 HA LEU 23 -9.577 7.564 -1.922 174 1HB LEU 23 HB2 LEU 23 -7.830 6.924 -0.283 175 2HB LEU 23 HB1 LEU 23 -7.352 8.606 -0.155 176 HG LEU 23 HG LEU 23 -9.645 9.124 0.713 177 1HD1 LEU 23 HD11 LEU 23 -10.830 7.216 -0.220 178 2HD1 LEU 23 HD12 LEU 23 -11.011 7.268 1.535 179 3HD1 LEU 23 HD13 LEU 23 -9.892 6.121 0.797 180 1HD2 LEU 23 HD21 LEU 23 -7.742 8.831 2.216 181 2HD2 LEU 23 HD22 LEU 23 -8.059 7.096 2.285 182 3HD2 LEU 23 HD23 LEU 23 -9.234 8.235 2.944 183 H GLY 24 HN GLY 24 -10.716 9.123 -2.993 184 1HA GLY 24 HA2 GLY 24 -11.546 11.232 -3.450 185 2HA GLY 24 HA1 GLY 24 -10.518 11.866 -2.166 186 H ASP 25 HN ASP 25 -8.466 12.609 -2.643 187 HA ASP 25 HA ASP 25 -7.596 12.348 -5.450 188 1HB ASP 25 HB2 ASP 25 -6.820 14.570 -5.536 189 2HB ASP 25 HB1 ASP 25 -8.409 14.686 -4.789 190 H GLU 26 HN GLU 26 -6.953 11.726 -2.236 191 HA GLU 26 HA GLU 26 -4.110 12.119 -2.277 192 1HB GLU 26 HB2 GLU 26 -5.824 10.576 -0.320 193 2HB GLU 26 HB1 GLU 26 -4.136 11.011 -0.084 194 1HG GLU 26 HG2 GLU 26 -4.818 13.410 -0.266 195 2HG GLU 26 HG1 GLU 26 -6.494 12.869 -0.262 196 H GLN 27 HN GLN 27 -2.615 10.795 -2.974 197 HA GLN 27 HA GLN 27 -3.317 8.469 -4.417 198 1HB GLN 27 HB2 GLN 27 -0.606 9.526 -3.607 199 2HB GLN 27 HB1 GLN 27 -0.865 8.210 -4.741 200 1HG GLN 27 HG2 GLN 27 -0.600 9.928 -6.199 201 2HG GLN 27 HG1 GLN 27 -2.344 10.002 -5.973 202 1HE2 GLN 27 HE21 GLN 27 -0.524 12.076 -6.811 203 2HE2 GLN 27 HE22 GLN 27 -0.677 13.366 -5.668 204 H VAL 28 HN VAL 28 -3.751 6.567 -3.637 205 HA VAL 28 HA VAL 28 -2.379 5.659 -1.190 206 HB VAL 28 HB VAL 28 -5.152 4.890 -2.125 207 1HG1 VAL 28 HG11 VAL 28 -4.030 3.069 -0.963 208 2HG1 VAL 28 HG12 VAL 28 -5.326 3.734 0.030 209 3HG1 VAL 28 HG13 VAL 28 -3.647 4.145 0.381 210 1HG2 VAL 28 HG21 VAL 28 -5.946 6.108 -0.153 211 2HG2 VAL 28 HG22 VAL 28 -5.100 7.170 -1.277 212 3HG2 VAL 28 HG23 VAL 28 -4.294 6.618 0.192 213 H ALA 29 HN ALA 29 -1.261 3.817 -1.341 214 HA ALA 29 HA ALA 29 -1.359 2.374 -3.894 215 1HB ALA 29 HB1 ALA 29 0.715 2.283 -1.702 216 2HB ALA 29 HB2 ALA 29 0.830 3.219 -3.192 217 3HB ALA 29 HB3 ALA 29 0.811 1.458 -3.258 218 H ILE 30 HN ILE 30 -2.684 0.684 -3.899 219 HA ILE 30 HA ILE 30 -3.147 -0.791 -1.413 220 HB ILE 30 HB ILE 30 -4.526 -1.106 -4.088 221 1HG1 ILE 30 HG12 ILE 30 -5.464 0.310 -1.580 222 2HG1 ILE 30 HG11 ILE 30 -4.948 1.103 -3.065 223 1HG2 ILE 30 HG21 ILE 30 -5.232 -2.203 -1.366 224 2HG2 ILE 30 HG22 ILE 30 -4.594 -3.129 -2.724 225 3HG2 ILE 30 HG23 ILE 30 -6.192 -2.388 -2.834 226 1HD1 ILE 30 HD11 ILE 30 -6.807 0.064 -4.259 227 2HD1 ILE 30 HD12 ILE 30 -7.364 1.040 -2.903 228 3HD1 ILE 30 HD13 ILE 30 -7.326 -0.717 -2.766 229 H PHE 31 HN PHE 31 -1.730 -2.337 -1.031 230 HA PHE 31 HA PHE 31 -0.649 -3.873 -3.290 231 1HB PHE 31 HB2 PHE 31 0.316 -3.635 -0.435 232 2HB PHE 31 HB1 PHE 31 1.070 -4.634 -1.673 233 HD1 PHE 31 HD1 PHE 31 0.782 -1.344 -0.257 234 HD2 PHE 31 HD2 PHE 31 2.113 -3.533 -3.653 235 HE1 PHE 31 HE1 PHE 31 2.188 0.559 -0.925 236 HE2 PHE 31 HE2 PHE 31 3.520 -1.633 -4.331 237 HZ PHE 31 HZ PHE 31 3.559 0.417 -2.963 238 H ARG 32 HN ARG 32 -1.454 -5.845 -3.638 239 HA ARG 32 HA ARG 32 -2.441 -7.345 -1.297 240 1HB ARG 32 HB2 ARG 32 -4.054 -7.137 -3.172 241 2HB ARG 32 HB1 ARG 32 -2.884 -7.887 -4.247 242 1HG ARG 32 HG2 ARG 32 -2.961 -9.913 -2.793 243 2HG ARG 32 HG1 ARG 32 -4.283 -9.154 -1.904 244 1HD ARG 32 HD2 ARG 32 -5.544 -8.983 -4.032 245 2HD ARG 32 HD1 ARG 32 -4.248 -9.872 -4.833 246 HE ARG 32 HE ARG 32 -5.156 -11.342 -2.609 247 1HH1 ARG 32 HH11 ARG 32 -6.156 -10.400 -5.834 248 2HH1 ARG 32 HH12 ARG 32 -7.261 -11.732 -6.009 249 1HH2 ARG 32 HH21 ARG 32 -6.606 -13.102 -2.859 250 2HH2 ARG 32 HH22 ARG 32 -7.510 -13.263 -4.336 251 HA PRO 33 HA PRO 33 1.466 -9.400 -2.233 252 1HB PRO 33 HB2 PRO 33 2.270 -9.726 0.304 253 2HB PRO 33 HB1 PRO 33 2.386 -8.170 -0.520 254 1HG PRO 33 HG2 PRO 33 0.529 -9.042 1.603 255 2HG PRO 33 HG1 PRO 33 1.070 -7.411 1.183 256 1HD PRO 33 HD2 PRO 33 -1.387 -8.691 0.463 257 2HD PRO 33 HD1 PRO 33 -0.824 -7.075 -0.007 258 H TYR 34 HN TYR 34 -1.156 -10.432 -0.190 259 HA TYR 34 HA TYR 34 -0.151 -13.175 -0.222 260 1HB TYR 34 HB2 TYR 34 -2.277 -11.817 1.427 261 2HB TYR 34 HB1 TYR 34 -2.110 -13.570 1.375 262 HD1 TYR 34 HD1 TYR 34 -1.267 -10.770 3.224 263 HD2 TYR 34 HD2 TYR 34 0.468 -14.333 1.681 264 HE1 TYR 34 HE1 TYR 34 0.488 -10.656 4.946 265 HE2 TYR 34 HE2 TYR 34 2.221 -14.235 3.395 266 HH TYR 34 HH TYR 34 2.075 -12.176 6.086 267 H HIS 35 HN HIS 35 -1.694 -14.896 -0.661 268 HA HIS 35 HA HIS 35 -3.178 -14.238 -3.076 269 1HB HIS 35 HB2 HIS 35 -2.420 -16.903 -1.856 270 2HB HIS 35 HB1 HIS 35 -3.272 -16.708 -3.384 271 HD1 HIS 35 HD1 HIS 35 -1.860 -16.431 -5.428 272 HD2 HIS 35 HD2 HIS 35 0.299 -15.820 -1.924 273 HE1 HIS 35 HE1 HIS 35 0.539 -16.164 -6.141 274 HE2 HIS 35 HE2 HIS 35 1.796 -15.598 -4.031 275 H SER 36 HN SER 36 -3.844 -14.198 0.054 276 HA SER 36 HA SER 36 -6.490 -15.419 -0.066 277 1HB SER 36 HB2 SER 36 -5.268 -13.963 2.278 278 2HB SER 36 HB1 SER 36 -6.517 -15.209 2.295 279 HG SER 36 HG SER 36 -4.775 -16.593 1.342 280 H ASP 37 HN ASP 37 -8.060 -13.834 1.434 281 HA ASP 37 HA ASP 37 -8.398 -11.477 -0.228 282 1HB ASP 37 HB2 ASP 37 -10.086 -12.552 2.044 283 2HB ASP 37 HB1 ASP 37 -10.498 -11.145 1.075 284 H GLN 38 HN GLN 38 -6.280 -10.626 0.693 285 HA GLN 38 HA GLN 38 -6.968 -8.753 2.809 286 1HB GLN 38 HB2 GLN 38 -5.934 -10.728 3.950 287 2HB GLN 38 HB1 GLN 38 -4.474 -10.456 3.010 288 1HG GLN 38 HG2 GLN 38 -4.349 -9.557 5.303 289 2HG GLN 38 HG1 GLN 38 -4.124 -8.328 4.057 290 1HE2 GLN 38 HE21 GLN 38 -6.235 -9.545 6.542 291 2HE2 GLN 38 HE22 GLN 38 -7.296 -8.175 6.589 292 H VAL 39 HN VAL 39 -6.026 -6.810 2.571 293 HA VAL 39 HA VAL 39 -3.863 -6.495 0.627 294 HB VAL 39 HB VAL 39 -5.024 -4.512 -0.363 295 1HG1 VAL 39 HG11 VAL 39 -6.520 -5.786 -1.823 296 2HG1 VAL 39 HG12 VAL 39 -6.454 -7.145 -0.701 297 3HG1 VAL 39 HG13 VAL 39 -4.997 -6.633 -1.553 298 1HG2 VAL 39 HG21 VAL 39 -6.611 -4.070 1.428 299 2HG2 VAL 39 HG22 VAL 39 -7.426 -5.600 1.103 300 3HG2 VAL 39 HG23 VAL 39 -7.454 -4.314 -0.103 301 H PHE 40 HN PHE 40 -2.698 -4.525 0.856 302 HA PHE 40 HA PHE 40 -3.147 -3.159 3.430 303 1HB PHE 40 HB2 PHE 40 -0.513 -3.815 2.085 304 2HB PHE 40 HB1 PHE 40 -0.681 -2.830 3.535 305 HD1 PHE 40 HD1 PHE 40 -0.868 -6.217 2.162 306 HD2 PHE 40 HD2 PHE 40 -1.199 -3.825 5.666 307 HE1 PHE 40 HE1 PHE 40 -0.755 -8.246 3.551 308 HE2 PHE 40 HE2 PHE 40 -1.086 -5.849 7.059 309 HZ PHE 40 HZ PHE 40 -0.859 -8.061 6.003 310 H ALA 41 HN ALA 41 -3.332 -0.998 3.335 311 HA ALA 41 HA ALA 41 -2.733 0.293 0.756 312 1HB ALA 41 HB1 ALA 41 -4.925 1.008 2.697 313 2HB ALA 41 HB2 ALA 41 -5.140 0.113 1.193 314 3HB ALA 41 HB3 ALA 41 -4.601 1.791 1.150 315 H ILE 42 HN ILE 42 -1.147 1.707 0.856 316 HA ILE 42 HA ILE 42 -0.836 3.337 3.287 317 HB ILE 42 HB ILE 42 1.614 3.292 2.992 318 1HG1 ILE 42 HG12 ILE 42 1.071 1.103 0.968 319 2HG1 ILE 42 HG11 ILE 42 1.620 2.730 0.576 320 1HG2 ILE 42 HG21 ILE 42 0.606 1.796 4.608 321 2HG2 ILE 42 HG22 ILE 42 1.983 1.006 3.839 322 3HG2 ILE 42 HG23 ILE 42 0.341 0.582 3.356 323 1HD1 ILE 42 HD11 ILE 42 3.450 1.131 0.535 324 2HD1 ILE 42 HD12 ILE 42 3.134 0.713 2.218 325 3HD1 ILE 42 HD13 ILE 42 3.685 2.336 1.801 326 H SER 43 HN SER 43 0.889 5.175 2.656 327 HA SER 43 HA SER 43 -0.263 6.790 0.669 328 1HB SER 43 HB2 SER 43 2.547 7.000 1.783 329 2HB SER 43 HB1 SER 43 1.593 8.298 1.063 330 HG SER 43 HG SER 43 0.467 8.493 2.858 331 H ASN 44 HN ASN 44 0.078 6.943 -1.482 332 HA ASN 44 HA ASN 44 1.666 4.859 -2.714 333 1HB ASN 44 HB2 ASN 44 -0.638 5.452 -3.464 334 2HB ASN 44 HB1 ASN 44 -0.020 7.000 -4.021 335 1HD2 ASN 44 HD21 ASN 44 -0.654 6.567 -6.113 336 2HD2 ASN 44 HD22 ASN 44 0.189 5.447 -7.122 337 H ILE 45 HN ILE 45 2.040 8.160 -1.970 338 HA ILE 45 HA ILE 45 4.394 8.382 -3.763 339 HB ILE 45 HB ILE 45 2.708 10.602 -2.549 340 1HG1 ILE 45 HG12 ILE 45 1.531 9.425 -4.354 341 2HG1 ILE 45 HG11 ILE 45 1.966 11.061 -4.835 342 1HG2 ILE 45 HG21 ILE 45 4.028 12.118 -3.937 343 2HG2 ILE 45 HG22 ILE 45 5.023 10.763 -4.472 344 3HG2 ILE 45 HG23 ILE 45 5.037 11.253 -2.777 345 1HD1 ILE 45 HD11 ILE 45 3.400 8.538 -5.632 346 2HD1 ILE 45 HD12 ILE 45 3.853 10.175 -6.110 347 3HD1 ILE 45 HD13 ILE 45 2.318 9.493 -6.646 348 H ASP 46 HN ASP 46 6.371 8.871 -2.730 349 HA ASP 46 HA ASP 46 6.580 8.608 0.104 350 1HB ASP 46 HB2 ASP 46 8.451 8.020 -1.436 351 2HB ASP 46 HB1 ASP 46 8.645 9.728 -1.814 352 HA PRO 47 HA PRO 47 5.075 12.611 1.053 353 1HB PRO 47 HB2 PRO 47 5.901 12.718 3.669 354 2HB PRO 47 HB1 PRO 47 4.464 11.862 3.106 355 1HG PRO 47 HG2 PRO 47 7.185 10.793 3.727 356 2HG PRO 47 HG1 PRO 47 5.595 10.095 4.088 357 1HD PRO 47 HD2 PRO 47 7.106 9.218 2.039 358 2HD PRO 47 HD1 PRO 47 5.333 9.267 1.947 359 H PHE 48 HN PHE 48 8.329 12.050 2.451 360 HA PHE 48 HA PHE 48 8.773 14.929 2.332 361 1HB PHE 48 HB2 PHE 48 9.290 13.772 4.424 362 2HB PHE 48 HB1 PHE 48 10.442 12.741 3.583 363 HD1 PHE 48 HD1 PHE 48 12.665 13.401 3.327 364 HD2 PHE 48 HD2 PHE 48 9.740 16.275 4.468 365 HE1 PHE 48 HE1 PHE 48 14.448 15.041 3.754 366 HE2 PHE 48 HE2 PHE 48 11.519 17.918 4.899 367 HZ PHE 48 HZ PHE 48 13.877 17.302 4.540 368 H PHE 49 HN PHE 49 10.040 11.961 0.933 369 HA PHE 49 HA PHE 49 12.325 13.312 -0.218 370 1HB PHE 49 HB2 PHE 49 12.567 10.987 0.452 371 2HB PHE 49 HB1 PHE 49 11.252 10.509 -0.616 372 HD1 PHE 49 HD1 PHE 49 11.646 10.013 -2.877 373 HD2 PHE 49 HD2 PHE 49 14.694 11.868 -0.557 374 HE1 PHE 49 HE1 PHE 49 13.252 9.646 -4.701 375 HE2 PHE 49 HE2 PHE 49 16.306 11.500 -2.379 376 HZ PHE 49 HZ PHE 49 15.584 10.385 -4.453 377 H GLU 50 HN GLU 50 9.090 12.645 -1.079 378 HA GLU 50 HA GLU 50 7.828 13.051 -2.896 379 1HB GLU 50 HB2 GLU 50 10.126 14.905 -3.476 380 2HB GLU 50 HB1 GLU 50 8.757 14.760 -4.571 381 1HG GLU 50 HG2 GLU 50 8.489 15.455 -1.658 382 2HG GLU 50 HG1 GLU 50 8.630 16.653 -2.946 383 H SER 51 HN SER 51 8.343 10.774 -3.246 384 HA SER 51 HA SER 51 9.809 10.353 -5.746 385 1HB SER 51 HB2 SER 51 10.291 8.867 -3.738 386 2HB SER 51 HB1 SER 51 8.657 8.229 -3.914 387 HG SER 51 HG SER 51 10.774 8.102 -5.815 388 H SER 52 HN SER 52 8.382 8.120 -6.636 389 HA SER 52 HA SER 52 5.843 9.406 -7.365 390 1HB SER 52 HB2 SER 52 7.546 8.916 -9.185 391 2HB SER 52 HB1 SER 52 7.289 7.204 -8.867 392 HG SER 52 HG SER 52 5.906 8.750 -10.469 393 H VAL 53 HN VAL 53 4.879 6.915 -8.529 394 HA VAL 53 HA VAL 53 3.395 6.091 -6.273 395 HB VAL 53 HB VAL 53 2.326 4.466 -7.794 396 1HG1 VAL 53 HG11 VAL 53 2.699 7.221 -8.955 397 2HG1 VAL 53 HG12 VAL 53 1.515 6.749 -7.736 398 3HG1 VAL 53 HG13 VAL 53 1.401 6.105 -9.376 399 1HG2 VAL 53 HG21 VAL 53 4.264 3.828 -9.134 400 2HG2 VAL 53 HG22 VAL 53 4.333 5.452 -9.821 401 3HG2 VAL 53 HG23 VAL 53 2.954 4.407 -10.165 402 H LEU 54 HN LEU 54 3.799 4.634 -4.836 403 HA LEU 54 HA LEU 54 6.145 2.962 -5.028 404 1HB LEU 54 HB2 LEU 54 4.093 3.143 -2.821 405 2HB LEU 54 HB1 LEU 54 5.689 2.427 -2.707 406 HG LEU 54 HG LEU 54 5.159 5.357 -3.205 407 1HD1 LEU 54 HD11 LEU 54 5.998 3.937 -0.684 408 2HD1 LEU 54 HD12 LEU 54 4.436 4.703 -0.977 409 3HD1 LEU 54 HD13 LEU 54 5.901 5.684 -0.902 410 1HD2 LEU 54 HD21 LEU 54 7.275 4.566 -4.139 411 2HD2 LEU 54 HD22 LEU 54 7.712 3.881 -2.571 412 3HD2 LEU 54 HD23 LEU 54 7.539 5.626 -2.753 413 H SER 55 HN SER 55 2.834 2.704 -5.665 414 HA SER 55 HA SER 55 2.414 -0.046 -5.147 415 1HB SER 55 HB2 SER 55 0.499 0.330 -6.847 416 2HB SER 55 HB1 SER 55 0.464 1.246 -5.340 417 HG SER 55 HG SER 55 0.973 3.054 -6.394 418 H ARG 56 HN ARG 56 4.218 1.559 -7.482 419 HA ARG 56 HA ARG 56 4.083 -0.639 -9.409 420 1HB ARG 56 HB2 ARG 56 3.948 1.825 -10.082 421 2HB ARG 56 HB1 ARG 56 5.651 1.927 -9.662 422 1HG ARG 56 HG2 ARG 56 6.121 0.157 -11.333 423 2HG ARG 56 HG1 ARG 56 4.419 0.201 -11.801 424 1HD ARG 56 HD2 ARG 56 4.666 2.591 -12.354 425 2HD ARG 56 HD1 ARG 56 6.379 2.490 -11.951 426 HE ARG 56 HE ARG 56 5.078 1.107 -14.208 427 1HH1 ARG 56 HH11 ARG 56 7.922 2.407 -12.644 428 2HH1 ARG 56 HH12 ARG 56 8.950 2.207 -14.029 429 1HH2 ARG 56 HH21 ARG 56 6.407 0.842 -16.048 430 2HH2 ARG 56 HH22 ARG 56 8.084 1.313 -15.975 431 H GLY 57 HN GLY 57 5.198 -1.278 -6.950 432 1HA GLY 57 HA2 GLY 57 8.043 -1.600 -7.645 433 2HA GLY 57 HA1 GLY 57 7.586 -1.042 -6.043 434 H LEU 58 HN LEU 58 9.115 -3.273 -6.281 435 HA LEU 58 HA LEU 58 7.405 -5.613 -6.343 436 1HB LEU 58 HB2 LEU 58 9.447 -6.918 -6.152 437 2HB LEU 58 HB1 LEU 58 9.581 -5.742 -7.444 438 HG LEU 58 HG LEU 58 10.741 -5.188 -4.722 439 1HD1 LEU 58 HD11 LEU 58 12.872 -6.066 -5.523 440 2HD1 LEU 58 HD12 LEU 58 12.094 -6.618 -7.007 441 3HD1 LEU 58 HD13 LEU 58 11.646 -7.333 -5.459 442 1HD2 LEU 58 HD21 LEU 58 10.558 -3.307 -6.265 443 2HD2 LEU 58 HD22 LEU 58 11.426 -4.221 -7.500 444 3HD2 LEU 58 HD23 LEU 58 12.247 -3.748 -6.012 445 H ILE 59 HN ILE 59 6.802 -6.819 -4.641 446 HA ILE 59 HA ILE 59 7.401 -5.773 -1.971 447 HB ILE 59 HB ILE 59 5.353 -7.850 -2.776 448 1HG1 ILE 59 HG12 ILE 59 4.932 -4.922 -2.124 449 2HG1 ILE 59 HG11 ILE 59 4.916 -5.594 -3.751 450 1HG2 ILE 59 HG21 ILE 59 6.043 -8.050 -0.457 451 2HG2 ILE 59 HG22 ILE 59 4.400 -7.416 -0.549 452 3HG2 ILE 59 HG23 ILE 59 5.745 -6.331 -0.198 453 1HD1 ILE 59 HD11 ILE 59 2.989 -6.972 -3.163 454 2HD1 ILE 59 HD12 ILE 59 2.664 -5.256 -2.919 455 3HD1 ILE 59 HD13 ILE 59 3.003 -6.294 -1.535 456 H ALA 60 HN ALA 60 8.910 -6.747 -0.791 457 HA ALA 60 HA ALA 60 9.671 -9.505 -1.500 458 1HB ALA 60 HB1 ALA 60 11.882 -8.973 -0.598 459 2HB ALA 60 HB2 ALA 60 11.334 -7.343 -0.207 460 3HB ALA 60 HB3 ALA 60 11.434 -7.861 -1.891 461 H GLU 61 HN GLU 61 9.805 -11.042 0.078 462 HA GLU 61 HA GLU 61 8.567 -10.398 2.625 463 1HB GLU 61 HB2 GLU 61 7.873 -12.448 1.451 464 2HB GLU 61 HB1 GLU 61 9.523 -13.057 1.539 465 1HG GLU 61 HG2 GLU 61 9.377 -13.006 3.997 466 2HG GLU 61 HG1 GLU 61 7.697 -12.490 3.867 467 H HIS 62 HN HIS 62 9.741 -9.787 4.297 468 HA HIS 62 HA HIS 62 12.609 -10.373 4.341 469 1HB HIS 62 HB2 HIS 62 11.612 -8.035 4.722 470 2HB HIS 62 HB1 HIS 62 11.066 -8.642 6.280 471 HD1 HIS 62 HD1 HIS 62 12.694 -8.511 8.158 472 HD2 HIS 62 HD2 HIS 62 14.513 -8.053 4.451 473 HE1 HIS 62 HE1 HIS 62 15.080 -7.877 8.647 474 HE2 HIS 62 HE2 HIS 62 16.110 -7.431 6.390 475 H GLN 63 HN GLN 63 10.818 -12.482 4.718 476 HA GLN 63 HA GLN 63 10.406 -14.289 5.999 477 1HB GLN 63 HB2 GLN 63 12.885 -13.981 6.497 478 2HB GLN 63 HB1 GLN 63 12.388 -13.224 8.002 479 1HG GLN 63 HG2 GLN 63 12.938 -15.528 8.396 480 2HG GLN 63 HG1 GLN 63 11.205 -15.287 8.626 481 1HE2 GLN 63 HE21 GLN 63 9.761 -16.246 7.222 482 2HE2 GLN 63 HE22 GLN 63 10.240 -17.428 6.047 483 H GLY 64 HN GLY 64 8.300 -13.529 6.372 484 1HA GLY 64 HA2 GLY 64 6.698 -13.613 8.169 485 2HA GLY 64 HA1 GLY 64 7.840 -12.723 9.168 486 H GLU 65 HN GLU 65 8.461 -10.523 8.159 487 HA GLU 65 HA GLU 65 5.960 -9.138 7.621 488 1HB GLU 65 HB2 GLU 65 8.725 -8.079 8.230 489 2HB GLU 65 HB1 GLU 65 7.301 -7.077 7.983 490 1HG GLU 65 HG2 GLU 65 7.717 -9.087 10.185 491 2HG GLU 65 HG1 GLU 65 7.757 -7.332 10.340 492 H LEU 66 HN LEU 66 5.623 -7.806 5.852 493 HA LEU 66 HA LEU 66 7.282 -8.499 3.532 494 1HB LEU 66 HB2 LEU 66 4.428 -7.521 3.617 495 2HB LEU 66 HB1 LEU 66 5.308 -8.010 2.181 496 HG LEU 66 HG LEU 66 4.588 -9.833 4.480 497 1HD1 LEU 66 HD11 LEU 66 3.431 -9.627 1.712 498 2HD1 LEU 66 HD12 LEU 66 2.632 -9.141 3.207 499 3HD1 LEU 66 HD13 LEU 66 3.014 -10.839 2.921 500 1HD2 LEU 66 HD21 LEU 66 6.643 -10.516 3.386 501 2HD2 LEU 66 HD22 LEU 66 5.862 -10.413 1.809 502 3HD2 LEU 66 HD23 LEU 66 5.334 -11.624 2.978 503 H TRP 67 HN TRP 67 8.434 -6.978 2.584 504 HA TRP 67 HA TRP 67 7.827 -4.160 3.206 505 1HB TRP 67 HB2 TRP 67 10.511 -5.470 2.703 506 2HB TRP 67 HB1 TRP 67 10.266 -3.738 2.875 507 HD1 TRP 67 HD1 TRP 67 9.762 -6.956 4.986 508 HE1 TRP 67 HE1 TRP 67 10.204 -6.367 7.453 509 HE3 TRP 67 HE3 TRP 67 10.545 -1.931 4.483 510 HZ2 TRP 67 HZ2 TRP 67 10.810 -4.068 8.980 511 HZ3 TRP 67 HZ3 TRP 67 11.052 -0.609 6.494 512 HH2 TRP 67 HH2 TRP 67 11.179 -1.656 8.697 513 H VAL 68 HN VAL 68 7.494 -2.835 1.512 514 HA VAL 68 HA VAL 68 7.828 -3.980 -1.162 515 HB VAL 68 HB VAL 68 5.609 -3.074 -0.663 516 1HG1 VAL 68 HG11 VAL 68 7.007 -0.428 -0.304 517 2HG1 VAL 68 HG12 VAL 68 6.202 -1.366 0.953 518 3HG1 VAL 68 HG13 VAL 68 5.260 -0.666 -0.364 519 1HG2 VAL 68 HG21 VAL 68 5.369 -1.607 -2.618 520 2HG2 VAL 68 HG22 VAL 68 6.376 -3.013 -2.963 521 3HG2 VAL 68 HG23 VAL 68 7.124 -1.438 -2.695 522 H ALA 69 HN ALA 69 9.245 -3.220 -2.613 523 HA ALA 69 HA ALA 69 10.940 -0.965 -1.755 524 1HB ALA 69 HB1 ALA 69 12.782 -2.025 -2.953 525 2HB ALA 69 HB2 ALA 69 11.723 -3.358 -3.418 526 3HB ALA 69 HB3 ALA 69 12.126 -3.103 -1.720 527 H SER 70 HN SER 70 11.110 0.721 -3.078 528 HA SER 70 HA SER 70 9.583 0.741 -5.531 529 1HB SER 70 HB2 SER 70 9.551 2.677 -3.982 530 2HB SER 70 HB1 SER 70 11.274 2.919 -4.270 531 HG SER 70 HG SER 70 9.284 3.912 -5.653 532 HA PRO 71 HA PRO 71 13.142 -0.060 -8.116 533 1HB PRO 71 HB2 PRO 71 11.536 0.825 -10.374 534 2HB PRO 71 HB1 PRO 71 12.090 -0.804 -9.979 535 1HG PRO 71 HG2 PRO 71 9.479 -0.057 -9.849 536 2HG PRO 71 HG1 PRO 71 10.181 -1.311 -8.809 537 1HD PRO 71 HD2 PRO 71 9.597 1.564 -8.186 538 2HD PRO 71 HD1 PRO 71 9.333 0.118 -7.185 539 H LEU 72 HN LEU 72 11.424 2.934 -7.890 540 HA LEU 72 HA LEU 72 13.183 4.408 -9.636 541 1HB LEU 72 HB2 LEU 72 11.156 5.393 -7.620 542 2HB LEU 72 HB1 LEU 72 12.005 6.407 -8.766 543 HG LEU 72 HG LEU 72 10.904 4.871 -10.561 544 1HD1 LEU 72 HD11 LEU 72 8.705 4.022 -9.888 545 2HD1 LEU 72 HD12 LEU 72 9.068 4.434 -8.210 546 3HD1 LEU 72 HD13 LEU 72 10.017 3.200 -9.041 547 1HD2 LEU 72 HD21 LEU 72 8.964 6.347 -10.629 548 2HD2 LEU 72 HD22 LEU 72 10.441 7.244 -10.277 549 3HD2 LEU 72 HD23 LEU 72 9.304 6.875 -8.981 550 H LYS 73 HN LYS 73 12.450 4.771 -6.185 551 HA LYS 73 HA LYS 73 15.310 5.282 -5.694 552 1HB LYS 73 HB2 LYS 73 13.753 7.187 -5.175 553 2HB LYS 73 HB1 LYS 73 12.947 6.154 -4.005 554 1HG LYS 73 HG2 LYS 73 14.471 7.640 -2.884 555 2HG LYS 73 HG1 LYS 73 15.051 5.979 -2.743 556 1HD LYS 73 HD2 LYS 73 16.669 6.347 -4.492 557 2HD LYS 73 HD1 LYS 73 16.027 7.963 -4.795 558 1HE LYS 73 HE2 LYS 73 16.697 8.638 -2.532 559 2HE LYS 73 HE1 LYS 73 17.354 7.026 -2.252 560 1HZ LYS 73 HZ1 LYS 73 19.042 8.686 -2.891 561 2HZ LYS 73 HZ2 LYS 73 18.281 8.863 -4.395 562 3HZ LYS 73 HZ3 LYS 73 18.968 7.373 -3.962 563 H LYS 74 HN LYS 74 16.255 4.143 -3.933 564 HA LYS 74 HA LYS 74 15.090 1.547 -3.595 565 1HB LYS 74 HB2 LYS 74 17.572 2.113 -3.890 566 2HB LYS 74 HB1 LYS 74 17.553 2.548 -2.187 567 1HG LYS 74 HG2 LYS 74 17.183 0.363 -1.501 568 2HG LYS 74 HG1 LYS 74 16.580 -0.135 -3.086 569 1HD LYS 74 HD2 LYS 74 18.873 0.251 -3.994 570 2HD LYS 74 HD1 LYS 74 19.421 0.540 -2.341 571 1HE LYS 74 HE2 LYS 74 18.932 -1.685 -1.695 572 2HE LYS 74 HE1 LYS 74 18.032 -1.991 -3.182 573 1HZ LYS 74 HZ1 LYS 74 20.942 -1.419 -3.072 574 2HZ LYS 74 HZ2 LYS 74 20.046 -1.870 -4.437 575 3HZ LYS 74 HZ3 LYS 74 20.276 -2.971 -3.174 576 H GLN 75 HN GLN 75 13.225 2.814 -2.575 577 HA GLN 75 HA GLN 75 13.496 3.213 0.301 578 1HB GLN 75 HB2 GLN 75 11.673 4.057 -1.807 579 2HB GLN 75 HB1 GLN 75 10.812 3.445 -0.404 580 1HG GLN 75 HG2 GLN 75 12.938 5.561 -0.231 581 2HG GLN 75 HG1 GLN 75 11.226 5.919 -0.454 582 1HE2 GLN 75 HE21 GLN 75 10.890 6.940 1.446 583 2HE2 GLN 75 HE22 GLN 75 11.015 6.166 2.991 584 H ARG 76 HN ARG 76 12.415 1.962 1.827 585 HA ARG 76 HA ARG 76 11.005 -0.418 0.845 586 1HB ARG 76 HB2 ARG 76 13.091 -0.434 3.039 587 2HB ARG 76 HB1 ARG 76 12.047 -1.786 2.636 588 1HG ARG 76 HG2 ARG 76 13.944 -2.376 1.513 589 2HG ARG 76 HG1 ARG 76 13.098 -1.481 0.251 590 1HD ARG 76 HD2 ARG 76 15.398 -0.777 0.297 591 2HD ARG 76 HD1 ARG 76 14.386 0.541 0.889 592 HE ARG 76 HE ARG 76 15.323 -1.085 3.023 593 1HH1 ARG 76 HH11 ARG 76 16.293 1.497 0.853 594 2HH1 ARG 76 HH12 ARG 76 17.549 2.075 1.914 595 1HH2 ARG 76 HH21 ARG 76 16.951 -0.329 4.403 596 2HH2 ARG 76 HH22 ARG 76 17.924 1.039 3.939 597 H PHE 77 HN PHE 77 9.066 -0.558 1.693 598 HA PHE 77 HA PHE 77 8.532 0.815 4.253 599 1HB PHE 77 HB2 PHE 77 6.554 0.388 2.003 600 2HB PHE 77 HB1 PHE 77 6.322 1.356 3.452 601 HD1 PHE 77 HD1 PHE 77 8.021 1.171 0.203 602 HD2 PHE 77 HD2 PHE 77 7.146 3.587 3.592 603 HE1 PHE 77 HE1 PHE 77 8.807 3.155 -1.014 604 HE2 PHE 77 HE2 PHE 77 7.936 5.577 2.381 605 HZ PHE 77 HZ PHE 77 8.768 5.362 0.075 606 H ARG 78 HN ARG 78 7.575 -0.366 5.827 607 HA ARG 78 HA ARG 78 6.967 -3.153 5.295 608 1HB ARG 78 HB2 ARG 78 8.134 -2.545 7.374 609 2HB ARG 78 HB1 ARG 78 6.761 -1.556 7.858 610 1HG ARG 78 HG2 ARG 78 5.359 -3.497 8.048 611 2HG ARG 78 HG1 ARG 78 6.630 -4.527 7.386 612 1HD ARG 78 HD2 ARG 78 6.504 -4.745 9.810 613 2HD ARG 78 HD1 ARG 78 8.042 -4.042 9.312 614 HE ARG 78 HE ARG 78 6.105 -2.030 9.955 615 1HH1 ARG 78 HH11 ARG 78 8.372 -4.305 11.346 616 2HH1 ARG 78 HH12 ARG 78 8.606 -3.395 12.804 617 1HH2 ARG 78 HH21 ARG 78 6.388 -0.822 11.877 618 2HH2 ARG 78 HH22 ARG 78 7.473 -1.412 13.113 619 H LEU 79 HN LEU 79 5.057 -3.735 4.551 620 HA LEU 79 HA LEU 79 2.947 -1.914 4.180 621 1HB LEU 79 HB2 LEU 79 2.924 -4.928 4.032 622 2HB LEU 79 HB1 LEU 79 1.661 -3.880 3.416 623 HG LEU 79 HG LEU 79 4.509 -3.967 2.418 624 1HD1 LEU 79 HD11 LEU 79 3.518 -4.917 0.393 625 2HD1 LEU 79 HD12 LEU 79 1.941 -4.941 1.181 626 3HD1 LEU 79 HD13 LEU 79 3.250 -5.950 1.796 627 1HD2 LEU 79 HD21 LEU 79 3.716 -2.469 0.664 628 2HD2 LEU 79 HD22 LEU 79 3.528 -1.736 2.258 629 3HD2 LEU 79 HD23 LEU 79 2.128 -2.409 1.426 630 H SER 80 HN SER 80 3.673 -4.040 6.791 631 HA SER 80 HA SER 80 1.166 -4.564 7.851 632 1HB SER 80 HB2 SER 80 3.673 -4.098 9.468 633 2HB SER 80 HB1 SER 80 2.319 -5.164 9.854 634 HG SER 80 HG SER 80 4.142 -6.295 8.982 635 H ASP 81 HN ASP 81 3.345 -1.825 8.573 636 HA ASP 81 HA ASP 81 1.062 -0.511 9.888 637 1HB ASP 81 HB2 ASP 81 2.564 0.438 11.545 638 2HB ASP 81 HB1 ASP 81 2.690 -1.316 11.553 639 H GLY 82 HN GLY 82 3.626 -0.259 7.623 640 1HA GLY 82 HA2 GLY 82 3.637 1.415 5.939 641 2HA GLY 82 HA1 GLY 82 2.790 2.493 7.042 642 H LEU 83 HN LEU 83 5.364 0.781 8.460 643 HA LEU 83 HA LEU 83 6.833 3.178 8.943 644 1HB LEU 83 HB2 LEU 83 6.775 1.353 10.572 645 2HB LEU 83 HB1 LEU 83 7.584 0.296 9.430 646 HG LEU 83 HG LEU 83 9.483 2.045 9.479 647 1HD1 LEU 83 HD11 LEU 83 9.672 3.284 11.567 648 2HD1 LEU 83 HD12 LEU 83 8.067 2.734 12.042 649 3HD1 LEU 83 HD13 LEU 83 8.259 3.789 10.642 650 1HD2 LEU 83 HD21 LEU 83 9.714 -0.192 10.361 651 2HD2 LEU 83 HD22 LEU 83 8.910 0.288 11.856 652 3HD2 LEU 83 HD23 LEU 83 10.483 0.969 11.442 653 H CYS 84 HN CYS 84 8.499 4.020 7.873 654 HA CYS 84 HA CYS 84 9.653 2.588 5.622 655 1HB CYS 84 HB2 CYS 84 10.340 5.319 6.730 656 2HB CYS 84 HB1 CYS 84 10.865 4.659 5.185 657 HG CYS 84 HG CYS 84 8.686 5.138 3.817 658 H MET 85 HN MET 85 11.725 1.775 5.586 659 HA MET 85 HA MET 85 12.748 0.768 7.971 660 1HB MET 85 HB2 MET 85 13.106 -0.105 5.618 661 2HB MET 85 HB1 MET 85 14.359 1.119 5.447 662 1HG MET 85 HG2 MET 85 15.612 0.141 7.261 663 2HG MET 85 HG1 MET 85 14.328 -1.032 7.550 664 1HE MET 85 HE1 MET 85 15.785 -3.134 7.392 665 2HE MET 85 HE2 MET 85 17.203 -2.090 7.284 666 3HE MET 85 HE3 MET 85 16.999 -3.420 6.144 667 H GLU 86 HN GLU 86 14.580 3.032 5.889 668 HA GLU 86 HA GLU 86 16.036 3.936 8.261 669 1HB GLU 86 HB2 GLU 86 16.482 4.314 5.302 670 2HB GLU 86 HB1 GLU 86 17.437 5.150 6.521 671 1HG GLU 86 HG2 GLU 86 18.339 3.133 7.343 672 2HG GLU 86 HG1 GLU 86 17.171 2.164 6.448 673 H ASP 87 HN ASP 87 13.510 4.877 6.237 674 HA ASP 87 HA ASP 87 13.819 7.733 6.733 675 1HB ASP 87 HB2 ASP 87 11.927 6.171 4.975 676 2HB ASP 87 HB1 ASP 87 11.827 7.916 5.193 677 H GLU 88 HN GLU 88 12.844 5.473 8.618 678 HA GLU 88 HA GLU 88 10.284 5.325 9.287 679 1HB GLU 88 HB2 GLU 88 10.975 5.221 11.697 680 2HB GLU 88 HB1 GLU 88 11.894 4.195 10.603 681 1HG GLU 88 HG2 GLU 88 13.747 5.697 10.636 682 2HG GLU 88 HG1 GLU 88 12.820 6.903 11.528 683 H GLN 89 HN GLN 89 12.192 8.228 10.066 684 HA GLN 89 HA GLN 89 10.325 9.471 11.740 685 1HB GLN 89 HB2 GLN 89 12.412 10.646 9.908 686 2HB GLN 89 HB1 GLN 89 11.468 11.606 11.038 687 1HG GLN 89 HG2 GLN 89 12.373 10.338 12.901 688 2HG GLN 89 HG1 GLN 89 13.290 9.330 11.782 689 1HE2 GLN 89 HE21 GLN 89 15.229 9.915 12.742 690 2HE2 GLN 89 HE22 GLN 89 15.955 11.473 12.489 691 H PHE 90 HN PHE 90 10.408 9.159 8.288 692 HA PHE 90 HA PHE 90 8.041 10.906 8.062 693 1HB PHE 90 HB2 PHE 90 10.160 10.342 5.970 694 2HB PHE 90 HB1 PHE 90 8.743 11.361 5.744 695 HD1 PHE 90 HD1 PHE 90 12.123 11.179 6.955 696 HD2 PHE 90 HD2 PHE 90 8.543 13.477 7.060 697 HE1 PHE 90 HE1 PHE 90 13.401 13.123 7.756 698 HE2 PHE 90 HE2 PHE 90 9.813 15.425 7.863 699 HZ PHE 90 HZ PHE 90 12.245 15.252 8.211 700 H SER 91 HN SER 91 7.823 8.209 8.775 701 HA SER 91 HA SER 91 7.437 6.436 6.644 702 1HB SER 91 HB2 SER 91 6.125 6.511 9.367 703 2HB SER 91 HB1 SER 91 6.011 5.156 8.243 704 HG SER 91 HG SER 91 8.248 6.126 9.652 705 H VAL 92 HN VAL 92 5.289 5.479 6.021 706 HA VAL 92 HA VAL 92 3.672 7.697 5.050 707 HB VAL 92 HB VAL 92 2.695 6.076 3.486 708 1HG1 VAL 92 HG11 VAL 92 5.711 6.038 3.586 709 2HG1 VAL 92 HG12 VAL 92 4.700 7.266 2.822 710 3HG1 VAL 92 HG13 VAL 92 4.733 5.625 2.177 711 1HG2 VAL 92 HG21 VAL 92 3.582 3.803 3.335 712 2HG2 VAL 92 HG22 VAL 92 2.790 4.080 4.887 713 3HG2 VAL 92 HG23 VAL 92 4.550 4.080 4.782 714 H LYS 93 HN LYS 93 1.264 7.089 4.723 715 HA LYS 93 HA LYS 93 0.247 6.558 7.408 716 1HB LYS 93 HB2 LYS 93 -0.434 8.634 6.314 717 2HB LYS 93 HB1 LYS 93 -1.079 7.729 4.953 718 1HG LYS 93 HG2 LYS 93 -2.785 6.758 6.371 719 2HG LYS 93 HG1 LYS 93 -2.109 7.580 7.780 720 1HD LYS 93 HD2 LYS 93 -2.610 9.738 6.804 721 2HD LYS 93 HD1 LYS 93 -3.190 8.965 5.328 722 1HE LYS 93 HE2 LYS 93 -5.004 7.927 6.557 723 2HE LYS 93 HE1 LYS 93 -4.406 8.615 8.066 724 1HZ LYS 93 HZ1 LYS 93 -5.349 10.190 5.725 725 2HZ LYS 93 HZ2 LYS 93 -4.839 10.818 7.218 726 3HZ LYS 93 HZ3 LYS 93 -6.256 9.888 7.130 727 H HIS 94 HN HIS 94 -1.022 4.865 7.921 728 HA HIS 94 HA HIS 94 -1.453 2.825 5.863 729 1HB HIS 94 HB2 HIS 94 -0.385 2.057 7.914 730 2HB HIS 94 HB1 HIS 94 -1.699 2.714 8.883 731 HD1 HIS 94 HD1 HIS 94 -3.988 1.405 8.812 732 HD2 HIS 94 HD2 HIS 94 -0.842 -0.449 6.814 733 HE1 HIS 94 HE1 HIS 94 -4.735 -0.957 8.422 734 HE2 HIS 94 HE2 HIS 94 -2.763 -2.107 7.356 735 H TYR 95 HN TYR 95 -3.343 2.731 4.881 736 HA TYR 95 HA TYR 95 -5.686 3.946 6.143 737 1HB TYR 95 HB2 TYR 95 -5.290 2.904 3.327 738 2HB TYR 95 HB1 TYR 95 -6.741 3.708 3.921 739 HD1 TYR 95 HD1 TYR 95 -3.265 4.167 2.859 740 HD2 TYR 95 HD2 TYR 95 -6.750 6.097 4.348 741 HE1 TYR 95 HE1 TYR 95 -2.306 6.350 2.257 742 HE2 TYR 95 HE2 TYR 95 -5.806 8.284 3.747 743 HH TYR 95 HH TYR 95 -3.118 8.637 1.734 744 H GLU 96 HN GLU 96 -7.611 2.794 6.452 745 HA GLU 96 HA GLU 96 -7.149 0.029 7.134 746 1HB GLU 96 HB2 GLU 96 -9.710 1.620 7.352 747 2HB GLU 96 HB1 GLU 96 -9.313 0.129 8.196 748 1HG GLU 96 HG2 GLU 96 -7.984 2.804 8.582 749 2HG GLU 96 HG1 GLU 96 -9.122 2.029 9.682 750 H ALA 97 HN ALA 97 -7.250 -1.443 5.572 751 HA ALA 97 HA ALA 97 -9.210 -1.061 3.406 752 1HB ALA 97 HB1 ALA 97 -7.640 -2.179 1.916 753 2HB ALA 97 HB2 ALA 97 -6.503 -2.383 3.249 754 3HB ALA 97 HB3 ALA 97 -6.894 -0.766 2.663 755 H ARG 98 HN ARG 98 -10.434 -2.758 2.759 756 HA ARG 98 HA ARG 98 -9.836 -5.451 3.673 757 1HB ARG 98 HB2 ARG 98 -12.076 -5.836 4.583 758 2HB ARG 98 HB1 ARG 98 -11.246 -4.578 5.488 759 1HG ARG 98 HG2 ARG 98 -12.584 -2.890 4.608 760 2HG ARG 98 HG1 ARG 98 -13.122 -3.891 3.259 761 1HD ARG 98 HD2 ARG 98 -13.784 -4.502 6.129 762 2HD ARG 98 HD1 ARG 98 -14.812 -3.510 5.096 763 HE ARG 98 HE ARG 98 -14.819 -5.580 3.596 764 1HH1 ARG 98 HH11 ARG 98 -14.524 -5.726 7.083 765 2HH1 ARG 98 HH12 ARG 98 -15.322 -7.272 7.211 766 1HH2 ARG 98 HH21 ARG 98 -15.863 -7.622 3.758 767 2HH2 ARG 98 HH22 ARG 98 -16.084 -8.344 5.323 768 H VAL 99 HN VAL 99 -11.188 -7.061 2.578 769 HA VAL 99 HA VAL 99 -12.114 -6.100 -0.033 770 HB VAL 99 HB VAL 99 -11.710 -8.951 0.904 771 1HG1 VAL 99 HG11 VAL 99 -13.302 -8.739 -0.934 772 2HG1 VAL 99 HG12 VAL 99 -11.813 -9.515 -1.471 773 3HG1 VAL 99 HG13 VAL 99 -12.118 -7.822 -1.864 774 1HG2 VAL 99 HG21 VAL 99 -9.594 -7.760 0.898 775 2HG2 VAL 99 HG22 VAL 99 -9.898 -7.186 -0.742 776 3HG2 VAL 99 HG23 VAL 99 -9.652 -8.907 -0.441 777 H LYS 100 HN LYS 100 -14.203 -5.660 -0.221 778 HA LYS 100 HA LYS 100 -16.118 -7.163 1.453 779 1HB LYS 100 HB2 LYS 100 -15.957 -4.680 1.880 780 2HB LYS 100 HB1 LYS 100 -16.531 -4.430 0.242 781 1HG LYS 100 HG2 LYS 100 -18.589 -5.643 0.774 782 2HG LYS 100 HG1 LYS 100 -18.028 -5.855 2.432 783 1HD LYS 100 HD2 LYS 100 -18.069 -3.484 2.804 784 2HD LYS 100 HD1 LYS 100 -18.434 -3.181 1.104 785 1HE LYS 100 HE2 LYS 100 -20.200 -4.646 3.062 786 2HE LYS 100 HE1 LYS 100 -20.433 -2.990 2.506 787 1HZ LYS 100 HZ1 LYS 100 -20.747 -3.813 0.261 788 2HZ LYS 100 HZ2 LYS 100 -21.848 -4.550 1.319 789 3HZ LYS 100 HZ3 LYS 100 -20.493 -5.413 0.773 790 H ASP 101 HN ASP 101 -17.128 -8.653 0.269 791 HA ASP 101 HA ASP 101 -18.382 -9.619 -1.375 792 1HB ASP 101 HB2 ASP 101 -18.754 -6.734 -2.197 793 2HB ASP 101 HB1 ASP 101 -19.541 -8.072 -3.023 794 H GLY 102 HN GLY 102 -15.449 -8.684 -1.727 795 1HA GLY 102 HA2 GLY 102 -13.948 -9.439 -3.402 796 2HA GLY 102 HA1 GLY 102 -15.266 -9.389 -4.565 797 H VAL 103 HN VAL 103 -15.374 -6.623 -2.702 798 HA VAL 103 HA VAL 103 -13.898 -5.100 -4.760 799 HB VAL 103 HB VAL 103 -16.174 -4.146 -3.003 800 1HG1 VAL 103 HG11 VAL 103 -14.673 -2.349 -3.650 801 2HG1 VAL 103 HG12 VAL 103 -16.215 -2.201 -4.492 802 3HG1 VAL 103 HG13 VAL 103 -14.803 -2.828 -5.343 803 1HG2 VAL 103 HG21 VAL 103 -17.541 -4.198 -5.032 804 2HG2 VAL 103 HG22 VAL 103 -16.955 -5.805 -4.605 805 3HG2 VAL 103 HG23 VAL 103 -16.195 -4.910 -5.920 806 H VAL 104 HN VAL 104 -12.302 -3.725 -4.103 807 HA VAL 104 HA VAL 104 -11.354 -3.970 -1.396 808 HB VAL 104 HB VAL 104 -10.283 -2.161 -3.571 809 1HG1 VAL 104 HG11 VAL 104 -9.474 -1.619 -1.343 810 2HG1 VAL 104 HG12 VAL 104 -8.183 -2.326 -2.315 811 3HG1 VAL 104 HG13 VAL 104 -8.997 -3.298 -1.088 812 1HG2 VAL 104 HG21 VAL 104 -9.539 -5.017 -2.921 813 2HG2 VAL 104 HG22 VAL 104 -8.714 -3.977 -4.082 814 3HG2 VAL 104 HG23 VAL 104 -10.384 -4.467 -4.367 815 H GLN 105 HN GLN 105 -11.932 -2.744 0.242 816 HA GLN 105 HA GLN 105 -13.092 -0.084 -0.284 817 1HB GLN 105 HB2 GLN 105 -13.325 -1.671 2.273 818 2HB GLN 105 HB1 GLN 105 -14.289 -0.294 1.770 819 1HG GLN 105 HG2 GLN 105 -14.339 -2.979 0.419 820 2HG GLN 105 HG1 GLN 105 -15.464 -2.476 1.677 821 1HE2 GLN 105 HE21 GLN 105 -16.968 -0.843 1.209 822 2HE2 GLN 105 HE22 GLN 105 -17.399 -0.468 -0.415 823 H LEU 106 HN LEU 106 -12.060 1.688 0.496 824 HA LEU 106 HA LEU 106 -9.881 1.267 2.434 825 1HB LEU 106 HB2 LEU 106 -10.163 3.461 0.379 826 2HB LEU 106 HB1 LEU 106 -8.860 3.324 1.540 827 HG LEU 106 HG LEU 106 -9.422 1.472 -0.773 828 1HD1 LEU 106 HD11 LEU 106 -7.221 2.254 -1.536 829 2HD1 LEU 106 HD12 LEU 106 -7.156 3.368 -0.172 830 3HD1 LEU 106 HD13 LEU 106 -8.391 3.567 -1.415 831 1HD2 LEU 106 HD21 LEU 106 -7.295 1.298 1.356 832 2HD2 LEU 106 HD22 LEU 106 -7.383 0.297 -0.093 833 3HD2 LEU 106 HD23 LEU 106 -8.643 0.183 1.135 834 H ARG 107 HN ARG 107 -10.516 1.893 4.416 835 HA ARG 107 HA ARG 107 -12.269 4.229 4.658 836 1HB ARG 107 HB2 ARG 107 -12.895 2.266 5.999 837 2HB ARG 107 HB1 ARG 107 -11.327 2.304 6.797 838 1HG ARG 107 HG2 ARG 107 -11.865 4.493 7.737 839 2HG ARG 107 HG1 ARG 107 -13.437 4.447 6.939 840 1HD ARG 107 HD2 ARG 107 -13.754 3.804 9.209 841 2HD ARG 107 HD1 ARG 107 -13.935 2.360 8.214 842 HE ARG 107 HE ARG 107 -11.766 1.645 8.967 843 1HH1 ARG 107 HH11 ARG 107 -13.118 4.380 10.691 844 2HH1 ARG 107 HH12 ARG 107 -12.121 4.157 12.093 845 1HH2 ARG 107 HH21 ARG 107 -10.472 1.328 10.838 846 2HH2 ARG 107 HH22 ARG 107 -10.607 2.441 12.163 847 H GLY 108 HN GLY 108 -11.245 6.087 4.617 848 1HA GLY 108 HA2 GLY 108 -8.923 6.432 6.383 849 2HA GLY 108 HA1 GLY 108 -8.845 6.996 4.726 850 H GLY 109 HN GLY 109 -10.651 8.471 4.097 851 1HA GLY 109 HA2 GLY 109 -12.347 9.892 5.627 852 2HA GLY 109 HA1 GLY 109 -10.793 10.596 6.052 853 H SER 110 HN SER 110 -13.347 10.582 3.848 854 HA SER 110 HA SER 110 -11.881 12.424 2.097 855 1HB SER 110 HB2 SER 110 -13.366 11.543 0.231 856 2HB SER 110 HB1 SER 110 -12.136 10.421 0.814 857 HG SER 110 HG SER 110 -14.832 10.461 1.698 Start of MODEL 19 1 HA MET 1 HA MET 1 -17.100 9.120 10.841 2 1HB MET 1 HB2 MET 1 -19.683 8.604 10.570 3 2HB MET 1 HB1 MET 1 -19.119 7.380 9.446 4 1HG MET 1 HG2 MET 1 -17.967 7.487 12.194 5 2HG MET 1 HG1 MET 1 -19.568 6.804 11.949 6 1HE MET 1 HE1 MET 1 -19.240 5.484 9.051 7 2HE MET 1 HE2 MET 1 -20.043 4.675 10.396 8 3HE MET 1 HE3 MET 1 -18.786 3.836 9.488 9 H SER 2 HN SER 2 -16.200 6.791 10.350 10 HA SER 2 HA SER 2 -14.449 6.889 8.154 11 1HB SER 2 HB2 SER 2 -15.358 4.518 9.800 12 2HB SER 2 HB1 SER 2 -13.985 4.521 8.703 13 HG SER 2 HG SER 2 -14.249 5.645 11.230 14 H GLN 3 HN GLN 3 -15.362 7.110 6.177 15 HA GLN 3 HA GLN 3 -17.437 5.185 5.416 16 1HB GLN 3 HB2 GLN 3 -17.731 6.779 3.431 17 2HB GLN 3 HB1 GLN 3 -18.278 7.322 5.009 18 1HG GLN 3 HG2 GLN 3 -16.115 8.563 5.238 19 2HG GLN 3 HG1 GLN 3 -15.775 8.145 3.558 20 1HE2 GLN 3 HE21 GLN 3 -15.770 10.328 2.946 21 2HE2 GLN 3 HE22 GLN 3 -17.242 11.236 2.807 22 H TRP 4 HN TRP 4 -16.428 3.423 4.796 23 HA TRP 4 HA TRP 4 -13.981 3.271 3.424 24 1HB TRP 4 HB2 TRP 4 -16.239 1.262 3.585 25 2HB TRP 4 HB1 TRP 4 -14.620 0.909 2.996 26 HD1 TRP 4 HD1 TRP 4 -16.398 1.956 6.272 27 HE1 TRP 4 HE1 TRP 4 -14.998 1.088 8.249 28 HE3 TRP 4 HE3 TRP 4 -12.412 0.056 3.686 29 HZ2 TRP 4 HZ2 TRP 4 -12.542 -0.218 8.659 30 HZ3 TRP 4 HZ3 TRP 4 -10.579 -0.978 4.954 31 HH2 TRP 4 HH2 TRP 4 -10.644 -1.114 7.387 32 H LYS 5 HN LYS 5 -13.680 4.147 1.475 33 HA LYS 5 HA LYS 5 -15.786 4.171 -0.505 34 1HB LYS 5 HB2 LYS 5 -14.241 6.067 -0.430 35 2HB LYS 5 HB1 LYS 5 -12.878 4.991 -0.717 36 1HG LYS 5 HG2 LYS 5 -14.031 4.354 -2.888 37 2HG LYS 5 HG1 LYS 5 -15.089 5.736 -2.606 38 1HD LYS 5 HD2 LYS 5 -13.199 7.237 -2.631 39 2HD LYS 5 HD1 LYS 5 -12.081 5.877 -2.770 40 1HE LYS 5 HE2 LYS 5 -13.143 5.279 -4.925 41 2HE LYS 5 HE1 LYS 5 -14.156 6.715 -4.794 42 1HZ LYS 5 HZ1 LYS 5 -12.155 8.077 -4.814 43 2HZ LYS 5 HZ2 LYS 5 -12.253 7.120 -6.209 44 3HZ LYS 5 HZ3 LYS 5 -11.189 6.691 -4.964 45 H ASP 6 HN ASP 6 -16.136 2.635 -1.983 46 HA ASP 6 HA ASP 6 -14.349 0.386 -2.164 47 1HB ASP 6 HB2 ASP 6 -15.943 -0.508 -3.822 48 2HB ASP 6 HB1 ASP 6 -16.747 -0.018 -2.338 49 H ILE 7 HN ILE 7 -12.664 0.244 -3.413 50 HA ILE 7 HA ILE 7 -12.106 2.358 -5.324 51 HB ILE 7 HB ILE 7 -10.399 -0.029 -4.603 52 1HG1 ILE 7 HG12 ILE 7 -10.882 1.260 -2.588 53 2HG1 ILE 7 HG11 ILE 7 -9.206 1.490 -3.070 54 1HG2 ILE 7 HG21 ILE 7 -9.697 2.610 -5.882 55 2HG2 ILE 7 HG22 ILE 7 -9.769 1.043 -6.689 56 3HG2 ILE 7 HG23 ILE 7 -8.553 1.340 -5.448 57 1HD1 ILE 7 HD11 ILE 7 -11.470 3.406 -3.550 58 2HD1 ILE 7 HD12 ILE 7 -9.798 3.644 -4.058 59 3HD1 ILE 7 HD13 ILE 7 -10.196 3.569 -2.341 60 H CYS 8 HN CYS 8 -11.726 -1.153 -5.413 61 HA CYS 8 HA CYS 8 -13.128 -1.404 -7.905 62 1HB CYS 8 HB2 CYS 8 -10.762 -0.602 -8.492 63 2HB CYS 8 HB1 CYS 8 -10.195 -2.149 -7.874 64 HG CYS 8 HG CYS 8 -10.312 -2.012 -10.750 65 H LYS 9 HN LYS 9 -12.916 -3.795 -8.626 66 HA LYS 9 HA LYS 9 -13.448 -5.418 -6.317 67 1HB LYS 9 HB2 LYS 9 -14.572 -5.517 -8.637 68 2HB LYS 9 HB1 LYS 9 -13.145 -6.414 -9.139 69 1HG LYS 9 HG2 LYS 9 -13.622 -8.193 -7.681 70 2HG LYS 9 HG1 LYS 9 -14.843 -7.253 -6.813 71 1HD LYS 9 HD2 LYS 9 -16.236 -7.199 -8.797 72 2HD LYS 9 HD1 LYS 9 -15.012 -8.095 -9.702 73 1HE LYS 9 HE2 LYS 9 -15.284 -9.971 -8.095 74 2HE LYS 9 HE1 LYS 9 -16.598 -9.075 -7.334 75 1HZ LYS 9 HZ1 LYS 9 -16.524 -10.026 -10.148 76 2HZ LYS 9 HZ2 LYS 9 -17.774 -9.105 -9.467 77 3HZ LYS 9 HZ3 LYS 9 -17.469 -10.671 -8.897 78 H ILE 10 HN ILE 10 -12.214 -7.150 -5.558 79 HA ILE 10 HA ILE 10 -9.398 -6.800 -5.811 80 HB ILE 10 HB ILE 10 -10.604 -7.618 -3.745 81 1HG1 ILE 10 HG12 ILE 10 -8.310 -9.334 -4.729 82 2HG1 ILE 10 HG11 ILE 10 -8.143 -7.727 -4.030 83 1HG2 ILE 10 HG21 ILE 10 -12.044 -9.277 -4.768 84 2HG2 ILE 10 HG22 ILE 10 -11.010 -10.037 -3.559 85 3HG2 ILE 10 HG23 ILE 10 -10.642 -10.218 -5.274 86 1HD1 ILE 10 HD11 ILE 10 -9.230 -10.152 -2.621 87 2HD1 ILE 10 HD12 ILE 10 -9.041 -8.543 -1.928 88 3HD1 ILE 10 HD13 ILE 10 -7.620 -9.462 -2.418 89 H ASP 11 HN ASP 11 -11.613 -8.348 -7.743 90 HA ASP 11 HA ASP 11 -10.060 -10.532 -8.684 91 1HB ASP 11 HB2 ASP 11 -12.515 -10.396 -8.961 92 2HB ASP 11 HB1 ASP 11 -12.301 -9.036 -10.057 93 H ASP 12 HN ASP 12 -9.976 -7.150 -9.196 94 HA ASP 12 HA ASP 12 -8.581 -7.298 -11.739 95 1HB ASP 12 HB2 ASP 12 -10.181 -5.447 -11.166 96 2HB ASP 12 HB1 ASP 12 -9.038 -4.897 -9.948 97 H ILE 13 HN ILE 13 -7.828 -7.390 -8.420 98 HA ILE 13 HA ILE 13 -5.012 -6.680 -8.930 99 HB ILE 13 HB ILE 13 -6.387 -6.855 -6.241 100 1HG1 ILE 13 HG12 ILE 13 -5.701 -4.372 -7.835 101 2HG1 ILE 13 HG11 ILE 13 -7.323 -5.037 -7.674 102 1HG2 ILE 13 HG21 ILE 13 -3.717 -5.718 -7.068 103 2HG2 ILE 13 HG22 ILE 13 -3.984 -7.199 -6.148 104 3HG2 ILE 13 HG23 ILE 13 -4.405 -5.637 -5.447 105 1HD1 ILE 13 HD11 ILE 13 -7.234 -4.659 -5.265 106 2HD1 ILE 13 HD12 ILE 13 -6.982 -3.167 -6.170 107 3HD1 ILE 13 HD13 ILE 13 -5.610 -3.993 -5.433 108 H LEU 14 HN LEU 14 -3.924 -8.476 -9.401 109 HA LEU 14 HA LEU 14 -4.675 -11.076 -8.477 110 1HB LEU 14 HB2 LEU 14 -2.161 -10.132 -9.869 111 2HB LEU 14 HB1 LEU 14 -2.623 -11.808 -9.641 112 HG LEU 14 HG LEU 14 -4.151 -9.786 -11.284 113 1HD1 LEU 14 HD11 LEU 14 -2.032 -10.401 -12.316 114 2HD1 LEU 14 HD12 LEU 14 -3.389 -11.099 -13.201 115 3HD1 LEU 14 HD13 LEU 14 -2.424 -12.110 -12.126 116 1HD2 LEU 14 HD21 LEU 14 -5.466 -11.714 -12.024 117 2HD2 LEU 14 HD22 LEU 14 -5.614 -11.464 -10.285 118 3HD2 LEU 14 HD23 LEU 14 -4.579 -12.750 -10.905 119 HA PRO 15 HA PRO 15 -2.114 -11.413 -4.842 120 1HB PRO 15 HB2 PRO 15 -0.873 -13.821 -5.115 121 2HB PRO 15 HB1 PRO 15 -2.581 -13.659 -4.694 122 1HG PRO 15 HG2 PRO 15 -1.329 -14.227 -7.350 123 2HG PRO 15 HG1 PRO 15 -2.753 -14.974 -6.602 124 1HD PRO 15 HD2 PRO 15 -2.957 -13.056 -8.497 125 2HD PRO 15 HD1 PRO 15 -4.135 -13.219 -7.180 126 H GLU 16 HN GLU 16 -0.078 -10.971 -4.118 127 HA GLU 16 HA GLU 16 2.069 -10.274 -4.115 128 1HB GLU 16 HB2 GLU 16 2.262 -12.162 -6.459 129 2HB GLU 16 HB1 GLU 16 3.649 -11.329 -5.776 130 1HG GLU 16 HG2 GLU 16 3.715 -13.427 -4.795 131 2HG GLU 16 HG1 GLU 16 2.974 -12.414 -3.559 132 H THR 17 HN THR 17 0.081 -8.710 -5.577 133 HA THR 17 HA THR 17 1.950 -7.262 -7.331 134 HB THR 17 HB THR 17 0.193 -6.722 -8.936 135 HG1 THR 17 HG1 THR 17 -1.442 -8.456 -7.360 136 1HG2 THR 17 HG21 THR 17 -0.114 -8.923 -9.967 137 2HG2 THR 17 HG22 THR 17 0.391 -9.697 -8.467 138 3HG2 THR 17 HG23 THR 17 1.536 -8.714 -9.380 139 H GLY 18 HN GLY 18 1.268 -4.984 -7.732 140 1HA GLY 18 HA2 GLY 18 -0.418 -3.913 -5.567 141 2HA GLY 18 HA1 GLY 18 1.199 -3.270 -5.807 142 H VAL 19 HN VAL 19 -1.523 -2.049 -6.037 143 HA VAL 19 HA VAL 19 -1.283 -1.082 -8.813 144 HB VAL 19 HB VAL 19 -3.706 -0.828 -8.926 145 1HG1 VAL 19 HG11 VAL 19 -2.750 -2.922 -9.713 146 2HG1 VAL 19 HG12 VAL 19 -4.342 -3.192 -9.004 147 3HG1 VAL 19 HG13 VAL 19 -2.891 -3.611 -8.095 148 1HG2 VAL 19 HG21 VAL 19 -3.747 -2.106 -6.190 149 2HG2 VAL 19 HG22 VAL 19 -5.163 -1.765 -7.186 150 3HG2 VAL 19 HG23 VAL 19 -4.179 -0.437 -6.570 151 H CYS 20 HN CYS 20 -2.707 1.020 -9.005 152 HA CYS 20 HA CYS 20 -2.131 2.731 -6.679 153 1HB CYS 20 HB2 CYS 20 -1.889 4.593 -8.392 154 2HB CYS 20 HB1 CYS 20 -0.599 3.396 -8.368 155 HG CYS 20 HG CYS 20 -2.524 2.118 -10.507 156 H ALA 21 HN ALA 21 -3.747 4.009 -5.952 157 HA ALA 21 HA ALA 21 -6.232 4.130 -7.513 158 1HB ALA 21 HB1 ALA 21 -6.077 3.351 -4.605 159 2HB ALA 21 HB2 ALA 21 -6.424 2.256 -5.942 160 3HB ALA 21 HB3 ALA 21 -7.549 3.556 -5.552 161 H LEU 22 HN LEU 22 -7.837 5.612 -6.303 162 HA LEU 22 HA LEU 22 -6.387 7.912 -5.170 163 1HB LEU 22 HB2 LEU 22 -7.419 7.925 -7.656 164 2HB LEU 22 HB1 LEU 22 -8.855 8.376 -6.761 165 HG LEU 22 HG LEU 22 -6.229 9.868 -6.707 166 1HD1 LEU 22 HD11 LEU 22 -8.838 10.532 -8.060 167 2HD1 LEU 22 HD12 LEU 22 -7.350 10.034 -8.862 168 3HD1 LEU 22 HD13 LEU 22 -7.412 11.568 -7.995 169 1HD2 LEU 22 HD21 LEU 22 -7.491 11.612 -5.538 170 2HD2 LEU 22 HD22 LEU 22 -7.457 10.109 -4.616 171 3HD2 LEU 22 HD23 LEU 22 -8.909 10.565 -5.507 172 H LEU 23 HN LEU 23 -7.148 8.513 -3.237 173 HA LEU 23 HA LEU 23 -9.897 7.728 -2.513 174 1HB LEU 23 HB2 LEU 23 -8.094 6.447 -1.330 175 2HB LEU 23 HB1 LEU 23 -7.514 7.956 -0.662 176 HG LEU 23 HG LEU 23 -10.332 7.042 -0.136 177 1HD1 LEU 23 HD11 LEU 23 -9.538 5.960 1.902 178 2HD1 LEU 23 HD12 LEU 23 -7.869 6.283 1.433 179 3HD1 LEU 23 HD13 LEU 23 -8.860 5.186 0.470 180 1HD2 LEU 23 HD21 LEU 23 -9.710 9.344 0.461 181 2HD2 LEU 23 HD22 LEU 23 -8.384 8.723 1.445 182 3HD2 LEU 23 HD23 LEU 23 -10.054 8.368 1.890 183 H GLY 24 HN GLY 24 -11.004 9.591 -2.779 184 1HA GLY 24 HA2 GLY 24 -11.740 11.709 -2.273 185 2HA GLY 24 HA1 GLY 24 -10.559 11.749 -0.971 186 H ASP 25 HN ASP 25 -8.826 12.983 -1.188 187 HA ASP 25 HA ASP 25 -8.229 14.095 -3.857 188 1HB ASP 25 HB2 ASP 25 -7.610 15.262 -1.128 189 2HB ASP 25 HB1 ASP 25 -7.164 15.985 -2.667 190 H GLU 26 HN GLU 26 -7.271 12.004 -1.473 191 HA GLU 26 HA GLU 26 -4.405 12.420 -1.785 192 1HB GLU 26 HB2 GLU 26 -5.974 10.558 0.011 193 2HB GLU 26 HB1 GLU 26 -4.226 10.714 0.014 194 1HG GLU 26 HG2 GLU 26 -5.051 11.948 1.854 195 2HG GLU 26 HG1 GLU 26 -4.516 13.112 0.647 196 H GLN 27 HN GLN 27 -3.149 11.122 -2.997 197 HA GLN 27 HA GLN 27 -4.334 8.933 -4.453 198 1HB GLN 27 HB2 GLN 27 -1.516 10.020 -4.369 199 2HB GLN 27 HB1 GLN 27 -2.023 8.693 -5.403 200 1HG GLN 27 HG2 GLN 27 -3.604 10.180 -6.526 201 2HG GLN 27 HG1 GLN 27 -3.080 11.511 -5.494 202 1HE2 GLN 27 HE21 GLN 27 -1.090 12.460 -5.846 203 2HE2 GLN 27 HE22 GLN 27 -0.166 12.172 -7.287 204 H VAL 28 HN VAL 28 -3.890 6.743 -4.181 205 HA VAL 28 HA VAL 28 -2.420 6.018 -1.730 206 HB VAL 28 HB VAL 28 -5.143 4.925 -2.470 207 1HG1 VAL 28 HG11 VAL 28 -3.780 3.298 -1.296 208 2HG1 VAL 28 HG12 VAL 28 -5.071 3.883 -0.246 209 3HG1 VAL 28 HG13 VAL 28 -3.424 4.477 -0.035 210 1HG2 VAL 28 HG21 VAL 28 -5.981 6.124 -0.513 211 2HG2 VAL 28 HG22 VAL 28 -5.315 7.233 -1.713 212 3HG2 VAL 28 HG23 VAL 28 -4.386 6.836 -0.267 213 H ALA 29 HN ALA 29 -1.481 3.960 -1.723 214 HA ALA 29 HA ALA 29 -1.540 2.526 -4.302 215 1HB ALA 29 HB1 ALA 29 0.627 2.515 -2.200 216 2HB ALA 29 HB2 ALA 29 0.670 3.418 -3.714 217 3HB ALA 29 HB3 ALA 29 0.667 1.655 -3.739 218 H ILE 30 HN ILE 30 -2.493 0.599 -4.300 219 HA ILE 30 HA ILE 30 -2.993 -0.721 -1.714 220 HB ILE 30 HB ILE 30 -4.431 -1.143 -4.342 221 1HG1 ILE 30 HG12 ILE 30 -5.353 0.324 -1.861 222 2HG1 ILE 30 HG11 ILE 30 -4.837 1.095 -3.358 223 1HG2 ILE 30 HG21 ILE 30 -4.453 -3.121 -2.931 224 2HG2 ILE 30 HG22 ILE 30 -6.057 -2.390 -2.986 225 3HG2 ILE 30 HG23 ILE 30 -5.033 -2.165 -1.568 226 1HD1 ILE 30 HD11 ILE 30 -6.689 0.034 -4.539 227 2HD1 ILE 30 HD12 ILE 30 -7.254 1.027 -3.195 228 3HD1 ILE 30 HD13 ILE 30 -7.208 -0.729 -3.036 229 H PHE 31 HN PHE 31 -1.799 -2.460 -1.300 230 HA PHE 31 HA PHE 31 -0.693 -3.964 -3.584 231 1HB PHE 31 HB2 PHE 31 0.462 -3.535 -0.821 232 2HB PHE 31 HB1 PHE 31 1.129 -4.649 -2.009 233 HD1 PHE 31 HD1 PHE 31 0.778 -1.173 -1.009 234 HD2 PHE 31 HD2 PHE 31 2.204 -3.804 -4.033 235 HE1 PHE 31 HE1 PHE 31 2.132 0.649 -1.954 236 HE2 PHE 31 HE2 PHE 31 3.560 -1.987 -4.984 237 HZ PHE 31 HZ PHE 31 3.524 0.246 -3.942 238 H ARG 32 HN ARG 32 -1.156 -6.068 -3.736 239 HA ARG 32 HA ARG 32 -2.407 -7.387 -1.417 240 1HB ARG 32 HB2 ARG 32 -3.759 -7.315 -3.526 241 2HB ARG 32 HB1 ARG 32 -2.481 -8.207 -4.338 242 1HG ARG 32 HG2 ARG 32 -2.848 -10.095 -2.821 243 2HG ARG 32 HG1 ARG 32 -4.143 -9.197 -2.028 244 1HD ARG 32 HD2 ARG 32 -5.311 -9.067 -4.226 245 2HD ARG 32 HD1 ARG 32 -4.067 -10.115 -4.903 246 HE ARG 32 HE ARG 32 -5.068 -11.440 -2.697 247 1HH1 ARG 32 HH11 ARG 32 -6.300 -10.283 -5.777 248 2HH1 ARG 32 HH12 ARG 32 -7.585 -11.448 -5.834 249 1HH2 ARG 32 HH21 ARG 32 -6.756 -12.962 -2.780 250 2HH2 ARG 32 HH22 ARG 32 -7.866 -12.956 -4.120 251 HA PRO 33 HA PRO 33 1.600 -9.464 -1.681 252 1HB PRO 33 HB2 PRO 33 2.201 -9.346 0.902 253 2HB PRO 33 HB1 PRO 33 2.224 -7.887 -0.094 254 1HG PRO 33 HG2 PRO 33 0.237 -8.759 1.933 255 2HG PRO 33 HG1 PRO 33 0.721 -7.121 1.463 256 1HD PRO 33 HD2 PRO 33 -1.563 -8.587 0.570 257 2HD PRO 33 HD1 PRO 33 -1.017 -6.991 0.018 258 H TYR 34 HN TYR 34 -1.325 -10.543 -0.749 259 HA TYR 34 HA TYR 34 -0.260 -13.127 0.179 260 1HB TYR 34 HB2 TYR 34 -2.854 -11.794 0.983 261 2HB TYR 34 HB1 TYR 34 -2.412 -13.441 1.397 262 HD1 TYR 34 HD1 TYR 34 -2.065 -9.950 2.241 263 HD2 TYR 34 HD2 TYR 34 -0.493 -13.838 2.963 264 HE1 TYR 34 HE1 TYR 34 -1.032 -9.143 4.317 265 HE2 TYR 34 HE2 TYR 34 0.546 -13.033 5.043 266 HH TYR 34 HH TYR 34 1.263 -10.972 6.080 267 H HIS 35 HN HIS 35 -1.693 -14.966 -0.351 268 HA HIS 35 HA HIS 35 -2.775 -14.702 -3.038 269 1HB HIS 35 HB2 HIS 35 -2.886 -17.178 -1.309 270 2HB HIS 35 HB1 HIS 35 -2.931 -17.077 -3.065 271 HD1 HIS 35 HD1 HIS 35 -0.450 -15.608 -3.805 272 HD2 HIS 35 HD2 HIS 35 -0.539 -18.293 -0.629 273 HE1 HIS 35 HE1 HIS 35 1.921 -16.349 -3.480 274 HE2 HIS 35 HE2 HIS 35 1.872 -17.884 -1.481 275 H SER 36 HN SER 36 -3.768 -14.599 0.181 276 HA SER 36 HA SER 36 -6.514 -15.324 -0.171 277 1HB SER 36 HB2 SER 36 -6.715 -14.352 2.148 278 2HB SER 36 HB1 SER 36 -5.503 -15.625 1.996 279 HG SER 36 HG SER 36 -4.121 -14.229 2.712 280 H ASP 37 HN ASP 37 -7.829 -13.288 1.199 281 HA ASP 37 HA ASP 37 -7.894 -11.247 -0.905 282 1HB ASP 37 HB2 ASP 37 -9.920 -12.022 1.206 283 2HB ASP 37 HB1 ASP 37 -10.145 -10.711 0.052 284 H GLN 38 HN GLN 38 -5.883 -11.259 1.202 285 HA GLN 38 HA GLN 38 -6.652 -8.960 2.835 286 1HB GLN 38 HB2 GLN 38 -4.160 -10.669 2.905 287 2HB GLN 38 HB1 GLN 38 -4.511 -9.347 4.009 288 1HG GLN 38 HG2 GLN 38 -6.465 -10.543 4.832 289 2HG GLN 38 HG1 GLN 38 -6.132 -11.865 3.715 290 1HE2 GLN 38 HE21 GLN 38 -3.643 -10.101 5.424 291 2HE2 GLN 38 HE22 GLN 38 -3.155 -11.404 6.456 292 H VAL 39 HN VAL 39 -6.253 -6.990 2.096 293 HA VAL 39 HA VAL 39 -3.829 -6.550 0.479 294 HB VAL 39 HB VAL 39 -5.014 -4.711 -0.696 295 1HG1 VAL 39 HG11 VAL 39 -4.859 -6.889 -1.760 296 2HG1 VAL 39 HG12 VAL 39 -6.401 -6.124 -2.146 297 3HG1 VAL 39 HG13 VAL 39 -6.331 -7.412 -0.942 298 1HG2 VAL 39 HG21 VAL 39 -7.463 -5.793 0.691 299 2HG2 VAL 39 HG22 VAL 39 -7.454 -4.569 -0.578 300 3HG2 VAL 39 HG23 VAL 39 -6.711 -4.225 0.986 301 H PHE 40 HN PHE 40 -2.881 -4.417 0.693 302 HA PHE 40 HA PHE 40 -3.741 -2.928 3.072 303 1HB PHE 40 HB2 PHE 40 -0.954 -3.904 2.463 304 2HB PHE 40 HB1 PHE 40 -1.246 -2.537 3.533 305 HD1 PHE 40 HD1 PHE 40 -1.463 -6.154 3.148 306 HD2 PHE 40 HD2 PHE 40 -2.351 -2.849 5.679 307 HE1 PHE 40 HE1 PHE 40 -1.828 -7.695 5.030 308 HE2 PHE 40 HE2 PHE 40 -2.712 -4.385 7.566 309 HZ PHE 40 HZ PHE 40 -2.451 -6.812 7.242 310 H ALA 41 HN ALA 41 -3.219 -0.693 3.047 311 HA ALA 41 HA ALA 41 -2.475 0.325 0.390 312 1HB ALA 41 HB1 ALA 41 -4.904 0.409 0.670 313 2HB ALA 41 HB2 ALA 41 -4.200 2.024 0.572 314 3HB ALA 41 HB3 ALA 41 -4.697 1.372 2.134 315 H ILE 42 HN ILE 42 -0.998 1.866 0.372 316 HA ILE 42 HA ILE 42 -0.529 3.444 2.814 317 HB ILE 42 HB ILE 42 1.908 3.443 2.307 318 1HG1 ILE 42 HG12 ILE 42 1.209 1.218 0.378 319 2HG1 ILE 42 HG11 ILE 42 1.728 2.835 -0.085 320 1HG2 ILE 42 HG21 ILE 42 2.376 1.207 3.187 321 2HG2 ILE 42 HG22 ILE 42 0.720 0.720 2.822 322 3HG2 ILE 42 HG23 ILE 42 1.027 1.972 4.027 323 1HD1 ILE 42 HD11 ILE 42 3.361 0.840 1.465 324 2HD1 ILE 42 HD12 ILE 42 3.881 2.454 0.983 325 3HD1 ILE 42 HD13 ILE 42 3.544 1.233 -0.245 326 H SER 43 HN SER 43 1.066 5.339 2.139 327 HA SER 43 HA SER 43 -0.190 6.865 0.100 328 1HB SER 43 HB2 SER 43 2.534 7.363 1.321 329 2HB SER 43 HB1 SER 43 1.436 8.553 0.622 330 HG SER 43 HG SER 43 0.053 7.379 2.486 331 H ASN 44 HN ASN 44 0.095 6.599 -2.056 332 HA ASN 44 HA ASN 44 2.265 4.978 -3.045 333 1HB ASN 44 HB2 ASN 44 1.288 5.291 -5.252 334 2HB ASN 44 HB1 ASN 44 0.021 4.892 -4.100 335 1HD2 ASN 44 HD21 ASN 44 -0.252 6.178 -6.648 336 2HD2 ASN 44 HD22 ASN 44 -0.930 7.740 -6.355 337 H ILE 45 HN ILE 45 1.481 8.364 -2.857 338 HA ILE 45 HA ILE 45 4.054 9.069 -4.090 339 HB ILE 45 HB ILE 45 1.914 10.961 -3.074 340 1HG1 ILE 45 HG12 ILE 45 0.948 9.521 -4.823 341 2HG1 ILE 45 HG11 ILE 45 1.113 11.184 -5.369 342 1HG2 ILE 45 HG21 ILE 45 3.009 12.567 -4.590 343 2HG2 ILE 45 HG22 ILE 45 4.230 11.351 -4.964 344 3HG2 ILE 45 HG23 ILE 45 4.085 11.978 -3.323 345 1HD1 ILE 45 HD11 ILE 45 1.709 9.624 -7.117 346 2HD1 ILE 45 HD12 ILE 45 2.934 8.896 -6.076 347 3HD1 ILE 45 HD13 ILE 45 3.118 10.563 -6.621 348 H ASP 46 HN ASP 46 5.695 9.005 -2.601 349 HA ASP 46 HA ASP 46 5.099 9.093 0.209 350 1HB ASP 46 HB2 ASP 46 7.284 8.419 0.585 351 2HB ASP 46 HB1 ASP 46 6.987 7.773 -1.024 352 HA PRO 47 HA PRO 47 5.817 13.439 0.632 353 1HB PRO 47 HB2 PRO 47 5.257 13.665 3.226 354 2HB PRO 47 HB1 PRO 47 4.024 13.155 2.068 355 1HG PRO 47 HG2 PRO 47 5.516 11.546 4.067 356 2HG PRO 47 HG1 PRO 47 3.886 11.306 3.421 357 1HD PRO 47 HD2 PRO 47 6.296 10.012 2.600 358 2HD PRO 47 HD1 PRO 47 4.680 9.849 1.883 359 H PHE 48 HN PHE 48 8.069 11.227 1.692 360 HA PHE 48 HA PHE 48 9.568 13.127 3.330 361 1HB PHE 48 HB2 PHE 48 9.413 10.731 4.031 362 2HB PHE 48 HB1 PHE 48 10.313 10.290 2.582 363 HD1 PHE 48 HD1 PHE 48 10.502 11.955 5.846 364 HD2 PHE 48 HD2 PHE 48 12.677 10.667 2.422 365 HE1 PHE 48 HE1 PHE 48 12.614 12.327 7.051 366 HE2 PHE 48 HE2 PHE 48 14.793 11.037 3.623 367 HZ PHE 48 HZ PHE 48 14.764 11.868 5.941 368 H PHE 49 HN PHE 49 10.206 11.039 0.537 369 HA PHE 49 HA PHE 49 12.399 12.801 -0.281 370 1HB PHE 49 HB2 PHE 49 12.679 10.294 -0.183 371 2HB PHE 49 HB1 PHE 49 11.508 10.171 -1.490 372 HD1 PHE 49 HD1 PHE 49 12.087 10.795 -3.746 373 HD2 PHE 49 HD2 PHE 49 14.900 11.161 -0.575 374 HE1 PHE 49 HE1 PHE 49 13.900 11.056 -5.389 375 HE2 PHE 49 HE2 PHE 49 16.717 11.426 -2.211 376 HZ PHE 49 HZ PHE 49 16.215 11.370 -4.619 377 H GLU 50 HN GLU 50 9.228 11.726 -1.092 378 HA GLU 50 HA GLU 50 7.619 12.541 -2.430 379 1HB GLU 50 HB2 GLU 50 9.537 14.819 -2.922 380 2HB GLU 50 HB1 GLU 50 7.857 14.786 -3.443 381 1HG GLU 50 HG2 GLU 50 7.151 14.606 -1.099 382 2HG GLU 50 HG1 GLU 50 8.840 14.699 -0.602 383 H SER 51 HN SER 51 8.403 10.556 -3.525 384 HA SER 51 HA SER 51 9.264 11.183 -6.264 385 1HB SER 51 HB2 SER 51 9.588 8.709 -6.475 386 2HB SER 51 HB1 SER 51 10.606 9.446 -5.240 387 HG SER 51 HG SER 51 8.881 8.775 -3.721 388 H SER 52 HN SER 52 8.073 8.989 -7.552 389 HA SER 52 HA SER 52 5.305 9.883 -7.515 390 1HB SER 52 HB2 SER 52 5.304 8.287 -9.624 391 2HB SER 52 HB1 SER 52 5.987 9.910 -9.713 392 HG SER 52 HG SER 52 7.998 9.098 -9.689 393 H VAL 53 HN VAL 53 4.428 7.334 -8.776 394 HA VAL 53 HA VAL 53 3.347 6.307 -6.383 395 HB VAL 53 HB VAL 53 2.192 4.664 -7.804 396 1HG1 VAL 53 HG11 VAL 53 1.247 6.887 -7.528 397 2HG1 VAL 53 HG12 VAL 53 0.914 6.267 -9.144 398 3HG1 VAL 53 HG13 VAL 53 2.180 7.471 -8.906 399 1HG2 VAL 53 HG21 VAL 53 3.970 4.232 -9.430 400 2HG2 VAL 53 HG22 VAL 53 3.783 5.863 -10.073 401 3HG2 VAL 53 HG23 VAL 53 2.469 4.697 -10.231 402 H LEU 54 HN LEU 54 4.049 4.842 -5.079 403 HA LEU 54 HA LEU 54 6.456 3.378 -5.538 404 1HB LEU 54 HB2 LEU 54 4.455 3.050 -3.305 405 2HB LEU 54 HB1 LEU 54 6.138 2.563 -3.289 406 HG LEU 54 HG LEU 54 5.192 5.426 -3.449 407 1HD1 LEU 54 HD11 LEU 54 4.592 4.445 -1.312 408 2HD1 LEU 54 HD12 LEU 54 5.915 5.595 -1.117 409 3HD1 LEU 54 HD13 LEU 54 6.242 3.861 -1.096 410 1HD2 LEU 54 HD21 LEU 54 7.935 4.253 -2.995 411 2HD2 LEU 54 HD22 LEU 54 7.523 5.968 -2.948 412 3HD2 LEU 54 HD23 LEU 54 7.380 5.067 -4.457 413 H SER 55 HN SER 55 3.410 2.839 -6.623 414 HA SER 55 HA SER 55 2.957 0.105 -6.112 415 1HB SER 55 HB2 SER 55 2.041 1.680 -8.528 416 2HB SER 55 HB1 SER 55 1.280 0.248 -7.834 417 HG SER 55 HG SER 55 0.306 1.464 -6.427 418 H ARG 56 HN ARG 56 5.215 1.672 -8.093 419 HA ARG 56 HA ARG 56 5.571 -0.590 -9.890 420 1HB ARG 56 HB2 ARG 56 7.149 1.979 -9.703 421 2HB ARG 56 HB1 ARG 56 7.286 0.770 -10.971 422 1HG ARG 56 HG2 ARG 56 4.806 1.235 -11.409 423 2HG ARG 56 HG1 ARG 56 5.054 2.687 -10.436 424 1HD ARG 56 HD2 ARG 56 6.351 1.928 -13.036 425 2HD ARG 56 HD1 ARG 56 5.392 3.359 -12.664 426 HE ARG 56 HE ARG 56 8.132 2.867 -11.691 427 1HH1 ARG 56 HH11 ARG 56 5.530 5.031 -12.569 428 2HH1 ARG 56 HH12 ARG 56 6.500 6.469 -12.414 429 1HH2 ARG 56 HH21 ARG 56 9.419 4.745 -11.489 430 2HH2 ARG 56 HH22 ARG 56 8.718 6.306 -11.785 431 H GLY 57 HN GLY 57 5.965 -1.272 -7.233 432 1HA GLY 57 HA2 GLY 57 8.881 -1.680 -7.155 433 2HA GLY 57 HA1 GLY 57 8.031 -1.104 -5.726 434 H LEU 58 HN LEU 58 9.522 -3.424 -5.669 435 HA LEU 58 HA LEU 58 7.706 -5.650 -6.213 436 1HB LEU 58 HB2 LEU 58 10.654 -5.582 -5.567 437 2HB LEU 58 HB1 LEU 58 9.735 -7.059 -5.769 438 HG LEU 58 HG LEU 58 10.871 -6.734 -7.801 439 1HD1 LEU 58 HD11 LEU 58 8.560 -7.391 -8.103 440 2HD1 LEU 58 HD12 LEU 58 9.089 -6.363 -9.435 441 3HD1 LEU 58 HD13 LEU 58 8.066 -5.699 -8.161 442 1HD2 LEU 58 HD21 LEU 58 10.851 -4.665 -9.087 443 2HD2 LEU 58 HD22 LEU 58 11.523 -4.398 -7.478 444 3HD2 LEU 58 HD23 LEU 58 9.876 -3.887 -7.841 445 H ILE 59 HN ILE 59 6.791 -6.848 -4.673 446 HA ILE 59 HA ILE 59 7.162 -6.158 -1.893 447 HB ILE 59 HB ILE 59 5.465 -8.335 -3.134 448 1HG1 ILE 59 HG12 ILE 59 4.669 -5.578 -2.170 449 2HG1 ILE 59 HG11 ILE 59 4.839 -6.043 -3.859 450 1HG2 ILE 59 HG21 ILE 59 4.274 -8.329 -0.987 451 2HG2 ILE 59 HG22 ILE 59 5.438 -7.166 -0.353 452 3HG2 ILE 59 HG23 ILE 59 5.966 -8.787 -0.801 453 1HD1 ILE 59 HD11 ILE 59 2.856 -7.176 -1.897 454 2HD1 ILE 59 HD12 ILE 59 3.033 -7.672 -3.580 455 3HD1 ILE 59 HD13 ILE 59 2.511 -6.032 -3.194 456 H ALA 60 HN ALA 60 8.593 -7.103 -0.594 457 HA ALA 60 HA ALA 60 9.600 -9.778 -1.298 458 1HB ALA 60 HB1 ALA 60 11.229 -8.107 -2.045 459 2HB ALA 60 HB2 ALA 60 11.866 -9.081 -0.719 460 3HB ALA 60 HB3 ALA 60 11.294 -7.441 -0.412 461 H GLU 61 HN GLU 61 9.994 -11.124 0.390 462 HA GLU 61 HA GLU 61 9.031 -10.291 2.990 463 1HB GLU 61 HB2 GLU 61 8.427 -12.505 2.086 464 2HB GLU 61 HB1 GLU 61 10.124 -12.957 2.052 465 1HG GLU 61 HG2 GLU 61 8.947 -12.100 4.640 466 2HG GLU 61 HG1 GLU 61 8.526 -13.691 4.011 467 H HIS 62 HN HIS 62 10.271 -9.446 4.487 468 HA HIS 62 HA HIS 62 13.144 -10.089 4.511 469 1HB HIS 62 HB2 HIS 62 12.724 -7.856 3.448 470 2HB HIS 62 HB1 HIS 62 11.984 -7.326 4.952 471 HD1 HIS 62 HD1 HIS 62 15.323 -8.386 3.542 472 HD2 HIS 62 HD2 HIS 62 13.754 -6.417 6.861 473 HE1 HIS 62 HE1 HIS 62 17.304 -7.422 4.761 474 HE2 HIS 62 HE2 HIS 62 16.330 -6.120 6.685 475 H GLN 63 HN GLN 63 13.544 -11.064 6.356 476 HA GLN 63 HA GLN 63 13.634 -11.584 8.562 477 1HB GLN 63 HB2 GLN 63 14.214 -9.119 8.655 478 2HB GLN 63 HB1 GLN 63 12.539 -8.816 9.086 479 1HG GLN 63 HG2 GLN 63 12.799 -10.158 11.095 480 2HG GLN 63 HG1 GLN 63 14.469 -10.509 10.655 481 1HE2 GLN 63 HE21 GLN 63 12.251 -8.070 11.759 482 2HE2 GLN 63 HE22 GLN 63 13.446 -6.934 12.295 483 H GLY 64 HN GLY 64 11.191 -12.054 6.992 484 1HA GLY 64 HA2 GLY 64 9.336 -13.343 7.618 485 2HA GLY 64 HA1 GLY 64 9.485 -12.735 9.257 486 H GLU 65 HN GLU 65 9.713 -10.117 7.300 487 HA GLU 65 HA GLU 65 6.851 -9.520 7.647 488 1HB GLU 65 HB2 GLU 65 9.096 -7.535 7.310 489 2HB GLU 65 HB1 GLU 65 7.450 -7.208 7.825 490 1HG GLU 65 HG2 GLU 65 7.839 -8.396 9.903 491 2HG GLU 65 HG1 GLU 65 9.478 -8.793 9.383 492 H LEU 66 HN LEU 66 5.815 -8.260 5.992 493 HA LEU 66 HA LEU 66 6.914 -8.792 3.336 494 1HB LEU 66 HB2 LEU 66 4.151 -7.876 4.144 495 2HB LEU 66 HB1 LEU 66 4.653 -8.316 2.523 496 HG LEU 66 HG LEU 66 4.578 -10.204 4.880 497 1HD1 LEU 66 HD11 LEU 66 2.342 -9.510 4.173 498 2HD1 LEU 66 HD12 LEU 66 2.653 -11.200 3.781 499 3HD1 LEU 66 HD13 LEU 66 2.725 -9.975 2.516 500 1HD2 LEU 66 HD21 LEU 66 4.916 -11.942 3.181 501 2HD2 LEU 66 HD22 LEU 66 6.277 -10.823 3.256 502 3HD2 LEU 66 HD23 LEU 66 5.097 -10.692 1.950 503 H TRP 67 HN TRP 67 8.238 -7.218 2.719 504 HA TRP 67 HA TRP 67 7.472 -4.417 3.211 505 1HB TRP 67 HB2 TRP 67 10.162 -5.681 2.636 506 2HB TRP 67 HB1 TRP 67 9.896 -3.944 2.667 507 HD1 TRP 67 HD1 TRP 67 9.747 -6.992 5.052 508 HE1 TRP 67 HE1 TRP 67 10.241 -6.155 7.444 509 HE3 TRP 67 HE3 TRP 67 9.960 -1.969 4.130 510 HZ2 TRP 67 HZ2 TRP 67 10.654 -3.701 8.751 511 HZ3 TRP 67 HZ3 TRP 67 10.413 -0.448 6.009 512 HH2 TRP 67 HH2 TRP 67 10.753 -1.296 8.270 513 H VAL 68 HN VAL 68 7.508 -2.936 1.493 514 HA VAL 68 HA VAL 68 7.739 -4.143 -1.180 515 HB VAL 68 HB VAL 68 5.534 -3.165 -0.782 516 1HG1 VAL 68 HG11 VAL 68 6.994 -0.564 -0.341 517 2HG1 VAL 68 HG12 VAL 68 6.107 -1.486 0.874 518 3HG1 VAL 68 HG13 VAL 68 5.246 -0.753 -0.479 519 1HG2 VAL 68 HG21 VAL 68 7.183 -1.554 -2.728 520 2HG2 VAL 68 HG22 VAL 68 5.426 -1.689 -2.737 521 3HG2 VAL 68 HG23 VAL 68 6.421 -3.113 -3.043 522 H ALA 69 HN ALA 69 9.354 -3.547 -2.445 523 HA ALA 69 HA ALA 69 11.043 -1.311 -1.543 524 1HB ALA 69 HB1 ALA 69 11.819 -3.738 -3.161 525 2HB ALA 69 HB2 ALA 69 12.139 -3.496 -1.443 526 3HB ALA 69 HB3 ALA 69 12.906 -2.450 -2.639 527 H SER 70 HN SER 70 10.615 0.437 -2.695 528 HA SER 70 HA SER 70 9.815 0.253 -5.476 529 1HB SER 70 HB2 SER 70 10.327 2.728 -3.811 530 2HB SER 70 HB1 SER 70 9.416 2.628 -5.317 531 HG SER 70 HG SER 70 8.014 1.114 -4.090 532 HA PRO 71 HA PRO 71 14.136 0.459 -6.668 533 1HB PRO 71 HB2 PRO 71 13.713 0.309 -9.346 534 2HB PRO 71 HB1 PRO 71 13.635 -1.095 -8.277 535 1HG PRO 71 HG2 PRO 71 11.411 0.573 -9.381 536 2HG PRO 71 HG1 PRO 71 11.520 -1.191 -9.232 537 1HD PRO 71 HD2 PRO 71 10.127 0.331 -7.482 538 2HD PRO 71 HD1 PRO 71 10.951 -1.162 -6.996 539 H LEU 72 HN LEU 72 11.840 2.808 -6.922 540 HA LEU 72 HA LEU 72 12.916 4.646 -8.748 541 1HB LEU 72 HB2 LEU 72 11.309 5.043 -6.224 542 2HB LEU 72 HB1 LEU 72 11.771 6.373 -7.264 543 HG LEU 72 HG LEU 72 10.517 5.206 -9.133 544 1HD1 LEU 72 HD11 LEU 72 9.455 3.559 -6.843 545 2HD1 LEU 72 HD12 LEU 72 10.438 2.968 -8.184 546 3HD1 LEU 72 HD13 LEU 72 8.814 3.581 -8.486 547 1HD2 LEU 72 HD21 LEU 72 8.951 6.065 -6.705 548 2HD2 LEU 72 HD22 LEU 72 8.333 5.971 -8.354 549 3HD2 LEU 72 HD23 LEU 72 9.603 7.128 -7.952 550 H LYS 73 HN LYS 73 13.288 4.562 -5.198 551 HA LYS 73 HA LYS 73 16.080 5.344 -5.533 552 1HB LYS 73 HB2 LYS 73 14.012 6.916 -4.047 553 2HB LYS 73 HB1 LYS 73 15.661 6.885 -3.439 554 1HG LYS 73 HG2 LYS 73 14.814 7.771 -6.194 555 2HG LYS 73 HG1 LYS 73 15.273 8.827 -4.855 556 1HD LYS 73 HD2 LYS 73 17.510 7.905 -4.847 557 2HD LYS 73 HD1 LYS 73 17.065 6.741 -6.096 558 1HE LYS 73 HE2 LYS 73 18.277 8.532 -7.127 559 2HE LYS 73 HE1 LYS 73 16.589 8.644 -7.618 560 1HZ LYS 73 HZ1 LYS 73 17.882 10.276 -5.494 561 2HZ LYS 73 HZ2 LYS 73 16.265 10.384 -5.983 562 3HZ LYS 73 HZ3 LYS 73 17.497 10.808 -7.058 563 H LYS 74 HN LYS 74 14.607 2.910 -4.783 564 HA LYS 74 HA LYS 74 15.033 1.102 -3.484 565 1HB LYS 74 HB2 LYS 74 17.296 2.819 -2.463 566 2HB LYS 74 HB1 LYS 74 17.090 1.116 -2.078 567 1HG LYS 74 HG2 LYS 74 17.271 0.577 -4.473 568 2HG LYS 74 HG1 LYS 74 17.556 2.287 -4.812 569 1HD LYS 74 HD2 LYS 74 19.657 1.033 -4.708 570 2HD LYS 74 HD1 LYS 74 19.560 2.237 -3.421 571 1HE LYS 74 HE2 LYS 74 18.882 0.496 -1.843 572 2HE LYS 74 HE1 LYS 74 18.959 -0.706 -3.127 573 1HZ LYS 74 HZ1 LYS 74 21.243 0.874 -2.072 574 2HZ LYS 74 HZ2 LYS 74 21.333 -0.233 -3.353 575 3HZ LYS 74 HZ3 LYS 74 20.946 -0.772 -1.790 576 H GLN 75 HN GLN 75 13.164 3.113 -2.565 577 HA GLN 75 HA GLN 75 13.499 3.161 0.311 578 1HB GLN 75 HB2 GLN 75 11.268 4.202 -1.444 579 2HB GLN 75 HB1 GLN 75 11.332 4.390 0.305 580 1HG GLN 75 HG2 GLN 75 13.537 5.562 -0.015 581 2HG GLN 75 HG1 GLN 75 13.198 5.554 -1.742 582 1HE2 GLN 75 HE21 GLN 75 10.323 5.981 -1.360 583 2HE2 GLN 75 HE22 GLN 75 10.158 7.644 -0.918 584 H ARG 76 HN ARG 76 12.472 1.906 1.748 585 HA ARG 76 HA ARG 76 10.818 -0.270 0.646 586 1HB ARG 76 HB2 ARG 76 12.704 -0.478 2.999 587 2HB ARG 76 HB1 ARG 76 11.865 -1.792 2.183 588 1HG ARG 76 HG2 ARG 76 13.216 -1.569 0.243 589 2HG ARG 76 HG1 ARG 76 13.901 -0.049 0.820 590 1HD ARG 76 HD2 ARG 76 14.789 -1.407 2.793 591 2HD ARG 76 HD1 ARG 76 14.393 -2.832 1.830 592 HE ARG 76 HE ARG 76 15.963 -2.032 0.155 593 1HH1 ARG 76 HH11 ARG 76 16.167 -0.616 3.352 594 2HH1 ARG 76 HH12 ARG 76 17.785 -0.035 3.129 595 1HH2 ARG 76 HH21 ARG 76 18.097 -1.291 -0.129 596 2HH2 ARG 76 HH22 ARG 76 18.885 -0.405 1.149 597 H PHE 77 HN PHE 77 8.903 -0.612 1.584 598 HA PHE 77 HA PHE 77 8.316 0.797 4.113 599 1HB PHE 77 HB2 PHE 77 6.393 0.503 1.794 600 2HB PHE 77 HB1 PHE 77 6.158 1.450 3.259 601 HD1 PHE 77 HD1 PHE 77 7.132 3.622 3.500 602 HD2 PHE 77 HD2 PHE 77 7.916 1.272 0.043 603 HE1 PHE 77 HE1 PHE 77 8.067 5.598 2.374 604 HE2 PHE 77 HE2 PHE 77 8.855 3.243 -1.089 605 HZ PHE 77 HZ PHE 77 8.930 5.409 0.077 606 H ARG 78 HN ARG 78 7.201 -0.357 5.614 607 HA ARG 78 HA ARG 78 6.653 -3.146 5.048 608 1HB ARG 78 HB2 ARG 78 7.677 -2.479 7.200 609 2HB ARG 78 HB1 ARG 78 6.229 -1.563 7.597 610 1HG ARG 78 HG2 ARG 78 4.925 -3.521 7.795 611 2HG ARG 78 HG1 ARG 78 6.176 -4.516 7.047 612 1HD ARG 78 HD2 ARG 78 6.143 -4.883 9.438 613 2HD ARG 78 HD1 ARG 78 7.644 -4.091 8.969 614 HE ARG 78 HE ARG 78 5.657 -2.201 9.784 615 1HH1 ARG 78 HH11 ARG 78 7.995 -4.530 11.002 616 2HH1 ARG 78 HH12 ARG 78 8.218 -3.685 12.509 617 1HH2 ARG 78 HH21 ARG 78 5.933 -1.132 11.796 618 2HH2 ARG 78 HH22 ARG 78 7.056 -1.788 12.963 619 H LEU 79 HN LEU 79 4.817 -3.773 4.191 620 HA LEU 79 HA LEU 79 2.745 -2.030 3.533 621 1HB LEU 79 HB2 LEU 79 2.724 -5.043 3.661 622 2HB LEU 79 HB1 LEU 79 1.527 -4.062 2.834 623 HG LEU 79 HG LEU 79 4.461 -4.123 2.130 624 1HD1 LEU 79 HD11 LEU 79 2.114 -5.491 0.825 625 2HD1 LEU 79 HD12 LEU 79 3.448 -6.273 1.675 626 3HD1 LEU 79 HD13 LEU 79 3.749 -5.411 0.166 627 1HD2 LEU 79 HD21 LEU 79 3.734 -2.953 0.109 628 2HD2 LEU 79 HD22 LEU 79 3.358 -2.027 1.562 629 3HD2 LEU 79 HD23 LEU 79 2.081 -2.912 0.726 630 H SER 80 HN SER 80 3.151 -4.010 6.360 631 HA SER 80 HA SER 80 0.480 -4.315 7.123 632 1HB SER 80 HB2 SER 80 2.411 -5.571 8.085 633 2HB SER 80 HB1 SER 80 2.879 -4.114 8.959 634 HG SER 80 HG SER 80 1.150 -4.297 10.251 635 H ASP 81 HN ASP 81 2.851 -1.905 8.315 636 HA ASP 81 HA ASP 81 0.566 -0.354 9.329 637 1HB ASP 81 HB2 ASP 81 2.151 0.561 11.017 638 2HB ASP 81 HB1 ASP 81 1.886 -1.172 11.159 639 H GLY 82 HN GLY 82 3.127 -0.314 7.116 640 1HA GLY 82 HA2 GLY 82 3.410 1.351 5.481 641 2HA GLY 82 HA1 GLY 82 2.531 2.477 6.505 642 H LEU 83 HN LEU 83 4.903 0.680 8.133 643 HA LEU 83 HA LEU 83 6.423 2.984 8.782 644 1HB LEU 83 HB2 LEU 83 6.206 0.985 10.242 645 2HB LEU 83 HB1 LEU 83 7.176 0.076 9.098 646 HG LEU 83 HG LEU 83 8.922 1.997 9.529 647 1HD1 LEU 83 HD11 LEU 83 7.261 2.045 12.039 648 2HD1 LEU 83 HD12 LEU 83 7.477 3.371 10.896 649 3HD1 LEU 83 HD13 LEU 83 8.848 2.790 11.843 650 1HD2 LEU 83 HD21 LEU 83 8.374 -0.264 11.445 651 2HD2 LEU 83 HD22 LEU 83 9.884 0.642 11.354 652 3HD2 LEU 83 HD23 LEU 83 9.355 -0.327 9.979 653 H CYS 84 HN CYS 84 8.126 3.871 7.785 654 HA CYS 84 HA CYS 84 9.239 2.590 5.434 655 1HB CYS 84 HB2 CYS 84 9.992 5.187 6.796 656 2HB CYS 84 HB1 CYS 84 10.587 4.641 5.229 657 HG CYS 84 HG CYS 84 7.376 4.539 4.990 658 H MET 85 HN MET 85 11.259 1.667 5.308 659 HA MET 85 HA MET 85 12.259 0.460 7.611 660 1HB MET 85 HB2 MET 85 12.565 -0.343 5.260 661 2HB MET 85 HB1 MET 85 13.790 0.902 5.048 662 1HG MET 85 HG2 MET 85 15.131 -0.092 6.810 663 2HG MET 85 HG1 MET 85 13.895 -1.321 7.072 664 1HE MET 85 HE1 MET 85 15.573 -3.269 6.824 665 2HE MET 85 HE2 MET 85 16.894 -2.118 6.612 666 3HE MET 85 HE3 MET 85 16.698 -3.455 5.478 667 H GLU 86 HN GLU 86 13.759 3.093 5.715 668 HA GLU 86 HA GLU 86 15.733 3.467 7.830 669 1HB GLU 86 HB2 GLU 86 15.512 4.973 5.222 670 2HB GLU 86 HB1 GLU 86 16.926 4.816 6.255 671 1HG GLU 86 HG2 GLU 86 15.634 2.559 4.739 672 2HG GLU 86 HG1 GLU 86 17.059 3.453 4.213 673 H ASP 87 HN ASP 87 12.801 4.768 6.775 674 HA ASP 87 HA ASP 87 13.336 7.411 7.932 675 1HB ASP 87 HB2 ASP 87 11.193 6.586 5.961 676 2HB ASP 87 HB1 ASP 87 11.486 8.224 6.546 677 H GLU 88 HN GLU 88 12.353 4.730 9.058 678 HA GLU 88 HA GLU 88 9.836 4.414 9.798 679 1HB GLU 88 HB2 GLU 88 10.662 3.510 11.976 680 2HB GLU 88 HB1 GLU 88 11.510 2.915 10.556 681 1HG GLU 88 HG2 GLU 88 13.343 4.471 10.998 682 2HG GLU 88 HG1 GLU 88 12.489 5.073 12.417 683 H GLN 89 HN GLN 89 11.861 6.912 11.296 684 HA GLN 89 HA GLN 89 10.162 7.547 13.435 685 1HB GLN 89 HB2 GLN 89 11.342 9.762 13.413 686 2HB GLN 89 HB1 GLN 89 12.398 8.357 13.472 687 1HG GLN 89 HG2 GLN 89 12.882 8.577 11.120 688 2HG GLN 89 HG1 GLN 89 11.742 9.912 10.981 689 1HE2 GLN 89 HE21 GLN 89 14.605 9.795 10.411 690 2HE2 GLN 89 HE22 GLN 89 15.331 11.036 11.389 691 H PHE 90 HN PHE 90 9.998 8.420 10.072 692 HA PHE 90 HA PHE 90 7.723 10.205 10.631 693 1HB PHE 90 HB2 PHE 90 9.438 9.927 8.154 694 2HB PHE 90 HB1 PHE 90 8.006 10.944 8.251 695 HD1 PHE 90 HD1 PHE 90 11.520 10.702 8.872 696 HD2 PHE 90 HD2 PHE 90 7.993 12.841 9.919 697 HE1 PHE 90 HE1 PHE 90 12.901 12.550 9.727 698 HE2 PHE 90 HE2 PHE 90 9.367 14.694 10.776 699 HZ PHE 90 HZ PHE 90 11.825 14.551 10.680 700 H SER 91 HN SER 91 8.754 7.863 8.166 701 HA SER 91 HA SER 91 7.670 6.300 6.957 702 1HB SER 91 HB2 SER 91 5.736 6.365 9.282 703 2HB SER 91 HB1 SER 91 5.745 5.140 8.011 704 HG SER 91 HG SER 91 7.522 5.543 10.122 705 H VAL 92 HN VAL 92 5.104 5.771 6.291 706 HA VAL 92 HA VAL 92 4.206 8.333 5.152 707 HB VAL 92 HB VAL 92 3.149 7.026 3.349 708 1HG1 VAL 92 HG11 VAL 92 5.373 7.918 2.999 709 2HG1 VAL 92 HG12 VAL 92 5.217 6.356 2.197 710 3HG1 VAL 92 HG13 VAL 92 6.091 6.480 3.723 711 1HG2 VAL 92 HG21 VAL 92 2.773 4.934 4.558 712 2HG2 VAL 92 HG22 VAL 92 4.514 4.646 4.613 713 3HG2 VAL 92 HG23 VAL 92 3.669 4.651 3.065 714 H LYS 93 HN LYS 93 1.744 8.089 4.475 715 HA LYS 93 HA LYS 93 0.365 7.542 6.976 716 1HB LYS 93 HB2 LYS 93 0.009 9.683 5.713 717 2HB LYS 93 HB1 LYS 93 -0.754 8.743 4.437 718 1HG LYS 93 HG2 LYS 93 -2.510 8.052 5.923 719 2HG LYS 93 HG1 LYS 93 -1.708 8.833 7.289 720 1HD LYS 93 HD2 LYS 93 -1.979 11.012 6.182 721 2HD LYS 93 HD1 LYS 93 -2.810 10.218 4.843 722 1HE LYS 93 HE2 LYS 93 -4.400 11.221 6.397 723 2HE LYS 93 HE1 LYS 93 -4.564 9.467 6.366 724 1HZ LYS 93 HZ1 LYS 93 -3.137 9.438 8.396 725 2HZ LYS 93 HZ2 LYS 93 -4.658 10.149 8.614 726 3HZ LYS 93 HZ3 LYS 93 -3.277 11.126 8.467 727 H HIS 94 HN HIS 94 -0.392 5.584 7.306 728 HA HIS 94 HA HIS 94 -0.910 3.789 5.092 729 1HB HIS 94 HB2 HIS 94 0.252 3.101 7.229 730 2HB HIS 94 HB1 HIS 94 -1.295 3.280 8.047 731 HD1 HIS 94 HD1 HIS 94 -2.990 1.389 7.794 732 HD2 HIS 94 HD2 HIS 94 0.399 0.913 5.424 733 HE1 HIS 94 HE1 HIS 94 -3.104 -0.962 6.907 734 HE2 HIS 94 HE2 HIS 94 -0.913 -1.297 5.701 735 H TYR 95 HN TYR 95 -2.870 3.209 4.347 736 HA TYR 95 HA TYR 95 -5.215 4.343 5.710 737 1HB TYR 95 HB2 TYR 95 -4.933 3.452 2.828 738 2HB TYR 95 HB1 TYR 95 -6.370 4.173 3.547 739 HD1 TYR 95 HD1 TYR 95 -6.383 6.559 4.169 740 HD2 TYR 95 HD2 TYR 95 -3.053 4.801 2.186 741 HE1 TYR 95 HE1 TYR 95 -5.537 8.798 3.606 742 HE2 TYR 95 HE2 TYR 95 -2.202 7.037 1.619 743 HH TYR 95 HH TYR 95 -3.140 9.341 1.325 744 H GLU 96 HN GLU 96 -7.006 3.022 6.095 745 HA GLU 96 HA GLU 96 -6.219 0.280 6.595 746 1HB GLU 96 HB2 GLU 96 -7.524 1.827 8.196 747 2HB GLU 96 HB1 GLU 96 -8.921 1.461 7.193 748 1HG GLU 96 HG2 GLU 96 -8.763 -0.870 7.710 749 2HG GLU 96 HG1 GLU 96 -7.233 -0.625 8.552 750 H ALA 97 HN ALA 97 -6.765 -1.420 5.377 751 HA ALA 97 HA ALA 97 -8.601 -0.914 3.135 752 1HB ALA 97 HB1 ALA 97 -6.279 -2.835 3.252 753 2HB ALA 97 HB2 ALA 97 -6.266 -1.256 2.465 754 3HB ALA 97 HB3 ALA 97 -7.318 -2.537 1.860 755 H ARG 98 HN ARG 98 -10.215 -2.322 2.698 756 HA ARG 98 HA ARG 98 -10.318 -4.881 4.111 757 1HB ARG 98 HB2 ARG 98 -11.536 -3.238 5.534 758 2HB ARG 98 HB1 ARG 98 -12.599 -2.891 4.178 759 1HG ARG 98 HG2 ARG 98 -13.277 -5.277 4.182 760 2HG ARG 98 HG1 ARG 98 -12.330 -5.494 5.652 761 1HD ARG 98 HD2 ARG 98 -14.528 -5.153 6.389 762 2HD ARG 98 HD1 ARG 98 -13.720 -3.606 6.635 763 HE ARG 98 HE ARG 98 -14.799 -2.940 4.459 764 1HH1 ARG 98 HH11 ARG 98 -16.183 -5.421 6.506 765 2HH1 ARG 98 HH12 ARG 98 -17.809 -5.137 5.964 766 1HH2 ARG 98 HH21 ARG 98 -16.951 -2.562 3.748 767 2HH2 ARG 98 HH22 ARG 98 -18.251 -3.509 4.428 768 H VAL 99 HN VAL 99 -11.238 -6.462 2.905 769 HA VAL 99 HA VAL 99 -12.238 -5.681 0.270 770 HB VAL 99 HB VAL 99 -11.373 -8.397 1.289 771 1HG1 VAL 99 HG11 VAL 99 -13.126 -8.572 -0.424 772 2HG1 VAL 99 HG12 VAL 99 -11.567 -9.134 -1.027 773 3HG1 VAL 99 HG13 VAL 99 -12.172 -7.547 -1.497 774 1HG2 VAL 99 HG21 VAL 99 -9.550 -6.780 1.012 775 2HG2 VAL 99 HG22 VAL 99 -10.061 -6.498 -0.652 776 3HG2 VAL 99 HG23 VAL 99 -9.456 -8.084 -0.171 777 H LYS 100 HN LYS 100 -14.312 -5.280 0.288 778 HA LYS 100 HA LYS 100 -16.128 -6.803 2.006 779 1HB LYS 100 HB2 LYS 100 -16.360 -4.440 2.196 780 2HB LYS 100 HB1 LYS 100 -16.397 -4.232 0.461 781 1HG LYS 100 HG2 LYS 100 -18.565 -5.328 0.353 782 2HG LYS 100 HG1 LYS 100 -18.527 -5.592 2.098 783 1HD LYS 100 HD2 LYS 100 -18.693 -3.289 2.553 784 2HD LYS 100 HD1 LYS 100 -18.306 -2.851 0.889 785 1HE LYS 100 HE2 LYS 100 -20.417 -3.677 0.122 786 2HE LYS 100 HE1 LYS 100 -20.785 -4.357 1.707 787 1HZ LYS 100 HZ1 LYS 100 -20.481 -1.465 1.090 788 2HZ LYS 100 HZ2 LYS 100 -20.843 -2.116 2.613 789 3HZ LYS 100 HZ3 LYS 100 -21.950 -2.274 1.339 790 H ASP 101 HN ASP 101 -16.755 -8.645 1.046 791 HA ASP 101 HA ASP 101 -17.839 -10.039 -0.391 792 1HB ASP 101 HB2 ASP 101 -19.591 -8.266 -0.173 793 2HB ASP 101 HB1 ASP 101 -18.931 -7.483 -1.602 794 H GLY 102 HN GLY 102 -15.208 -8.724 -1.068 795 1HA GLY 102 HA2 GLY 102 -13.766 -9.499 -2.805 796 2HA GLY 102 HA1 GLY 102 -15.151 -9.550 -3.884 797 H VAL 103 HN VAL 103 -15.359 -6.710 -2.159 798 HA VAL 103 HA VAL 103 -14.049 -5.252 -4.368 799 HB VAL 103 HB VAL 103 -16.197 -4.234 -2.494 800 1HG1 VAL 103 HG11 VAL 103 -16.399 -2.391 -4.066 801 2HG1 VAL 103 HG12 VAL 103 -15.111 -3.079 -5.060 802 3HG1 VAL 103 HG13 VAL 103 -14.755 -2.489 -3.432 803 1HG2 VAL 103 HG21 VAL 103 -16.446 -5.211 -5.335 804 2HG2 VAL 103 HG22 VAL 103 -17.729 -4.451 -4.393 805 3HG2 VAL 103 HG23 VAL 103 -17.079 -6.015 -3.899 806 H VAL 104 HN VAL 104 -12.352 -3.960 -3.915 807 HA VAL 104 HA VAL 104 -11.286 -3.952 -1.237 808 HB VAL 104 HB VAL 104 -10.272 -2.386 -3.620 809 1HG1 VAL 104 HG11 VAL 104 -9.374 -1.672 -1.470 810 2HG1 VAL 104 HG12 VAL 104 -8.131 -2.458 -2.443 811 3HG1 VAL 104 HG13 VAL 104 -8.888 -3.329 -1.110 812 1HG2 VAL 104 HG21 VAL 104 -8.751 -4.262 -4.035 813 2HG2 VAL 104 HG22 VAL 104 -10.434 -4.761 -4.196 814 3HG2 VAL 104 HG23 VAL 104 -9.526 -5.183 -2.746 815 H GLN 105 HN GLN 105 -11.968 -2.566 0.274 816 HA GLN 105 HA GLN 105 -12.685 0.164 -0.590 817 1HB GLN 105 HB2 GLN 105 -13.481 -1.049 2.045 818 2HB GLN 105 HB1 GLN 105 -14.147 0.369 1.252 819 1HG GLN 105 HG2 GLN 105 -14.939 -1.254 -0.557 820 2HG GLN 105 HG1 GLN 105 -14.598 -2.518 0.625 821 1HE2 GLN 105 HE21 GLN 105 -16.703 0.011 -0.308 822 2HE2 GLN 105 HE22 GLN 105 -17.880 -0.205 0.931 823 H LEU 106 HN LEU 106 -11.835 1.897 0.536 824 HA LEU 106 HA LEU 106 -9.678 1.246 2.436 825 1HB LEU 106 HB2 LEU 106 -9.715 3.500 0.428 826 2HB LEU 106 HB1 LEU 106 -8.437 3.173 1.580 827 HG LEU 106 HG LEU 106 -9.225 1.402 -0.735 828 1HD1 LEU 106 HD11 LEU 106 -7.048 2.027 -1.639 829 2HD1 LEU 106 HD12 LEU 106 -6.786 3.110 -0.274 830 3HD1 LEU 106 HD13 LEU 106 -8.082 3.439 -1.424 831 1HD2 LEU 106 HD21 LEU 106 -8.442 0.087 1.159 832 2HD2 LEU 106 HD22 LEU 106 -7.011 1.108 1.291 833 3HD2 LEU 106 HD23 LEU 106 -7.242 0.096 -0.134 834 H ARG 107 HN ARG 107 -9.666 2.318 4.315 835 HA ARG 107 HA ARG 107 -11.657 4.453 4.691 836 1HB ARG 107 HB2 ARG 107 -12.032 2.573 6.171 837 2HB ARG 107 HB1 ARG 107 -10.359 2.612 6.712 838 1HG ARG 107 HG2 ARG 107 -10.741 4.787 7.738 839 2HG ARG 107 HG1 ARG 107 -12.410 4.765 7.165 840 1HD ARG 107 HD2 ARG 107 -12.600 4.047 9.358 841 2HD ARG 107 HD1 ARG 107 -12.595 2.544 8.442 842 HE ARG 107 HE ARG 107 -10.284 2.235 9.130 843 1HH1 ARG 107 HH11 ARG 107 -12.134 4.690 10.820 844 2HH1 ARG 107 HH12 ARG 107 -11.174 4.608 12.267 845 1HH2 ARG 107 HH21 ARG 107 -9.025 2.094 11.044 846 2HH2 ARG 107 HH22 ARG 107 -9.409 3.130 12.398 847 H GLY 108 HN GLY 108 -10.864 6.408 4.657 848 1HA GLY 108 HA2 GLY 108 -8.411 6.976 6.148 849 2HA GLY 108 HA1 GLY 108 -8.513 7.513 4.478 850 H GLY 109 HN GLY 109 -8.422 9.724 5.018 851 1HA GLY 109 HA2 GLY 109 -9.561 11.736 5.279 852 2HA GLY 109 HA1 GLY 109 -10.968 10.836 5.827 853 H SER 110 HN SER 110 -8.286 9.798 7.482 854 HA SER 110 HA SER 110 -8.619 11.779 9.623 855 1HB SER 110 HB2 SER 110 -8.241 8.794 10.008 856 2HB SER 110 HB1 SER 110 -8.449 9.995 11.284 857 HG SER 110 HG SER 110 -10.430 9.982 9.364 Start of MODEL 20 1 HA MET 1 HA MET 1 -17.686 6.302 12.041 2 1HB MET 1 HB2 MET 1 -18.434 4.127 12.962 3 2HB MET 1 HB1 MET 1 -19.376 5.482 13.561 4 1HG MET 1 HG2 MET 1 -20.292 3.749 11.286 5 2HG MET 1 HG1 MET 1 -20.640 3.378 12.972 6 1HE MET 1 HE1 MET 1 -22.839 6.418 14.059 7 2HE MET 1 HE2 MET 1 -21.092 6.253 14.235 8 3HE MET 1 HE3 MET 1 -22.144 4.871 14.541 9 H SER 2 HN SER 2 -16.161 5.274 11.020 10 HA SER 2 HA SER 2 -15.006 4.330 9.331 11 1HB SER 2 HB2 SER 2 -15.798 1.976 8.764 12 2HB SER 2 HB1 SER 2 -15.450 2.318 10.456 13 HG SER 2 HG SER 2 -18.064 2.744 9.598 14 H GLN 3 HN GLN 3 -15.522 6.016 7.797 15 HA GLN 3 HA GLN 3 -17.389 5.403 5.700 16 1HB GLN 3 HB2 GLN 3 -15.182 7.434 5.982 17 2HB GLN 3 HB1 GLN 3 -16.024 7.208 4.457 18 1HG GLN 3 HG2 GLN 3 -18.142 7.750 5.538 19 2HG GLN 3 HG1 GLN 3 -17.306 7.960 7.075 20 1HE2 GLN 3 HE21 GLN 3 -16.102 9.799 7.438 21 2HE2 GLN 3 HE22 GLN 3 -16.158 11.173 6.380 22 H TRP 4 HN TRP 4 -16.933 3.375 4.935 23 HA TRP 4 HA TRP 4 -14.283 2.838 3.856 24 1HB TRP 4 HB2 TRP 4 -16.759 1.146 4.176 25 2HB TRP 4 HB1 TRP 4 -15.363 0.599 3.253 26 HD1 TRP 4 HD1 TRP 4 -16.563 1.145 6.822 27 HE1 TRP 4 HE1 TRP 4 -14.843 0.120 8.452 28 HE3 TRP 4 HE3 TRP 4 -12.825 0.102 3.500 29 HZ2 TRP 4 HZ2 TRP 4 -12.252 -0.982 8.330 30 HZ3 TRP 4 HZ3 TRP 4 -10.757 -0.935 4.336 31 HH2 TRP 4 HH2 TRP 4 -10.479 -1.464 6.701 32 H LYS 5 HN LYS 5 -13.788 3.370 1.860 33 HA LYS 5 HA LYS 5 -15.944 3.903 -0.048 34 1HB LYS 5 HB2 LYS 5 -14.342 5.701 0.193 35 2HB LYS 5 HB1 LYS 5 -13.004 4.601 -0.095 36 1HG LYS 5 HG2 LYS 5 -13.690 4.284 -2.386 37 2HG LYS 5 HG1 LYS 5 -15.128 5.269 -2.123 38 1HD LYS 5 HD2 LYS 5 -13.807 7.235 -1.797 39 2HD LYS 5 HD1 LYS 5 -12.316 6.293 -1.770 40 1HE LYS 5 HE2 LYS 5 -12.628 7.444 -3.914 41 2HE LYS 5 HE1 LYS 5 -12.625 5.692 -4.101 42 1HZ LYS 5 HZ1 LYS 5 -14.367 6.712 -5.420 43 2HZ LYS 5 HZ2 LYS 5 -15.046 7.420 -4.038 44 3HZ LYS 5 HZ3 LYS 5 -15.043 5.734 -4.213 45 H ASP 6 HN ASP 6 -16.501 2.352 -1.401 46 HA ASP 6 HA ASP 6 -14.902 0.079 -1.998 47 1HB ASP 6 HB2 ASP 6 -17.304 1.204 -3.461 48 2HB ASP 6 HB1 ASP 6 -16.595 -0.379 -3.753 49 H ILE 7 HN ILE 7 -12.998 0.385 -2.974 50 HA ILE 7 HA ILE 7 -12.514 2.517 -4.830 51 HB ILE 7 HB ILE 7 -10.805 0.102 -4.214 52 1HG1 ILE 7 HG12 ILE 7 -11.272 1.384 -2.182 53 2HG1 ILE 7 HG11 ILE 7 -9.590 1.576 -2.664 54 1HG2 ILE 7 HG21 ILE 7 -10.115 2.744 -5.483 55 2HG2 ILE 7 HG22 ILE 7 -10.179 1.177 -6.288 56 3HG2 ILE 7 HG23 ILE 7 -8.959 1.485 -5.053 57 1HD1 ILE 7 HD11 ILE 7 -10.530 3.674 -1.913 58 2HD1 ILE 7 HD12 ILE 7 -11.804 3.558 -3.126 59 3HD1 ILE 7 HD13 ILE 7 -10.124 3.755 -3.625 60 H CYS 8 HN CYS 8 -11.754 -0.871 -5.304 61 HA CYS 8 HA CYS 8 -13.292 -1.075 -7.740 62 1HB CYS 8 HB2 CYS 8 -10.268 -1.364 -7.762 63 2HB CYS 8 HB1 CYS 8 -11.339 -1.722 -9.111 64 HG CYS 8 HG CYS 8 -12.015 1.319 -8.278 65 H LYS 9 HN LYS 9 -12.698 -3.415 -8.676 66 HA LYS 9 HA LYS 9 -13.077 -5.206 -6.445 67 1HB LYS 9 HB2 LYS 9 -12.848 -5.731 -9.412 68 2HB LYS 9 HB1 LYS 9 -13.265 -6.944 -8.207 69 1HG LYS 9 HG2 LYS 9 -15.304 -5.824 -7.679 70 2HG LYS 9 HG1 LYS 9 -14.857 -4.433 -8.670 71 1HD LYS 9 HD2 LYS 9 -15.320 -7.230 -9.693 72 2HD LYS 9 HD1 LYS 9 -16.481 -5.901 -9.784 73 1HE LYS 9 HE2 LYS 9 -14.921 -4.618 -11.148 74 2HE LYS 9 HE1 LYS 9 -13.733 -5.914 -11.032 75 1HZ LYS 9 HZ1 LYS 9 -14.918 -5.978 -13.130 76 2HZ LYS 9 HZ2 LYS 9 -16.402 -6.131 -12.319 77 3HZ LYS 9 HZ3 LYS 9 -15.252 -7.367 -12.223 78 H ILE 10 HN ILE 10 -11.713 -6.878 -5.813 79 HA ILE 10 HA ILE 10 -8.929 -6.354 -5.983 80 HB ILE 10 HB ILE 10 -10.043 -7.495 -4.059 81 1HG1 ILE 10 HG12 ILE 10 -7.818 -9.136 -5.284 82 2HG1 ILE 10 HG11 ILE 10 -7.574 -7.586 -4.481 83 1HG2 ILE 10 HG21 ILE 10 -10.469 -9.912 -4.207 84 2HG2 ILE 10 HG22 ILE 10 -10.126 -9.856 -5.936 85 3HG2 ILE 10 HG23 ILE 10 -11.517 -8.986 -5.283 86 1HD1 ILE 10 HD11 ILE 10 -7.050 -9.431 -3.004 87 2HD1 ILE 10 HD12 ILE 10 -8.676 -10.084 -3.216 88 3HD1 ILE 10 HD13 ILE 10 -8.447 -8.531 -2.410 89 H ASP 11 HN ASP 11 -11.099 -7.931 -8.001 90 HA ASP 11 HA ASP 11 -9.495 -9.797 -9.350 91 1HB ASP 11 HB2 ASP 11 -11.934 -9.689 -9.586 92 2HB ASP 11 HB1 ASP 11 -11.808 -8.113 -10.354 93 H ASP 12 HN ASP 12 -9.412 -6.385 -9.273 94 HA ASP 12 HA ASP 12 -8.109 -6.070 -11.851 95 1HB ASP 12 HB2 ASP 12 -9.714 -4.384 -10.814 96 2HB ASP 12 HB1 ASP 12 -8.428 -3.987 -9.682 97 H ILE 13 HN ILE 13 -7.185 -7.066 -8.827 98 HA ILE 13 HA ILE 13 -4.452 -5.990 -9.117 99 HB ILE 13 HB ILE 13 -5.694 -7.027 -6.563 100 1HG1 ILE 13 HG12 ILE 13 -5.374 -4.142 -7.431 101 2HG1 ILE 13 HG11 ILE 13 -6.902 -5.017 -7.397 102 1HG2 ILE 13 HG21 ILE 13 -3.220 -5.383 -7.093 103 2HG2 ILE 13 HG22 ILE 13 -3.263 -7.085 -6.630 104 3HG2 ILE 13 HG23 ILE 13 -3.821 -5.850 -5.501 105 1HD1 ILE 13 HD11 ILE 13 -6.685 -5.293 -4.979 106 2HD1 ILE 13 HD12 ILE 13 -6.674 -3.595 -5.452 107 3HD1 ILE 13 HD13 ILE 13 -5.165 -4.398 -5.019 108 H LEU 14 HN LEU 14 -2.784 -7.426 -9.238 109 HA LEU 14 HA LEU 14 -3.504 -10.263 -9.409 110 1HB LEU 14 HB2 LEU 14 -1.040 -8.779 -10.340 111 2HB LEU 14 HB1 LEU 14 -1.320 -10.495 -10.562 112 HG LEU 14 HG LEU 14 -2.952 -8.266 -11.780 113 1HD1 LEU 14 HD11 LEU 14 -0.741 -8.502 -12.785 114 2HD1 LEU 14 HD12 LEU 14 -2.005 -9.038 -13.891 115 3HD1 LEU 14 HD13 LEU 14 -1.030 -10.227 -13.027 116 1HD2 LEU 14 HD21 LEU 14 -4.096 -10.036 -13.010 117 2HD2 LEU 14 HD22 LEU 14 -4.321 -10.226 -11.271 118 3HD2 LEU 14 HD23 LEU 14 -3.175 -11.257 -12.129 119 HA PRO 15 HA PRO 15 -1.133 -11.585 -5.856 120 1HB PRO 15 HB2 PRO 15 0.635 -13.194 -7.619 121 2HB PRO 15 HB1 PRO 15 -0.325 -13.699 -6.224 122 1HG PRO 15 HG2 PRO 15 -1.082 -14.315 -8.704 123 2HG PRO 15 HG1 PRO 15 -2.274 -13.877 -7.465 124 1HD PRO 15 HD2 PRO 15 -1.198 -12.246 -9.730 125 2HD PRO 15 HD1 PRO 15 -2.847 -12.315 -9.073 126 H GLU 16 HN GLU 16 0.362 -10.523 -4.783 127 HA GLU 16 HA GLU 16 2.154 -9.284 -4.215 128 1HB GLU 16 HB2 GLU 16 3.468 -10.954 -6.361 129 2HB GLU 16 HB1 GLU 16 4.342 -9.912 -5.249 130 1HG GLU 16 HG2 GLU 16 4.535 -12.021 -4.302 131 2HG GLU 16 HG1 GLU 16 3.221 -11.278 -3.392 132 H THR 17 HN THR 17 0.537 -7.757 -5.584 133 HA THR 17 HA THR 17 2.364 -6.150 -7.235 134 HB THR 17 HB THR 17 0.539 -5.556 -8.789 135 HG1 THR 17 HG1 THR 17 -0.888 -7.688 -7.529 136 1HG2 THR 17 HG21 THR 17 0.533 -7.618 -10.088 137 2HG2 THR 17 HG22 THR 17 1.072 -8.525 -8.676 138 3HG2 THR 17 HG23 THR 17 2.131 -7.317 -9.406 139 H GLY 18 HN GLY 18 1.258 -3.922 -7.671 140 1HA GLY 18 HA2 GLY 18 -0.371 -3.095 -5.375 141 2HA GLY 18 HA1 GLY 18 1.150 -2.261 -5.677 142 H VAL 19 HN VAL 19 -1.837 -1.551 -5.851 143 HA VAL 19 HA VAL 19 -1.722 -0.408 -8.570 144 HB VAL 19 HB VAL 19 -4.188 -0.362 -8.578 145 1HG1 VAL 19 HG11 VAL 19 -3.020 -2.226 -9.624 146 2HG1 VAL 19 HG12 VAL 19 -4.542 -2.763 -8.910 147 3HG1 VAL 19 HG13 VAL 19 -3.017 -3.098 -8.091 148 1HG2 VAL 19 HG21 VAL 19 -5.443 -1.645 -6.906 149 2HG2 VAL 19 HG22 VAL 19 -4.582 -0.289 -6.177 150 3HG2 VAL 19 HG23 VAL 19 -3.951 -1.927 -6.008 151 H CYS 20 HN CYS 20 -3.417 1.527 -8.640 152 HA CYS 20 HA CYS 20 -2.827 3.245 -6.325 153 1HB CYS 20 HB2 CYS 20 -2.716 5.145 -7.936 154 2HB CYS 20 HB1 CYS 20 -1.450 3.947 -8.186 155 HG CYS 20 HG CYS 20 -4.241 3.534 -10.024 156 H ALA 21 HN ALA 21 -4.538 4.101 -5.362 157 HA ALA 21 HA ALA 21 -7.071 4.294 -6.865 158 1HB ALA 21 HB1 ALA 21 -7.153 2.467 -5.239 159 2HB ALA 21 HB2 ALA 21 -8.254 3.772 -4.794 160 3HB ALA 21 HB3 ALA 21 -6.715 3.591 -3.953 161 H LEU 22 HN LEU 22 -8.608 5.883 -5.754 162 HA LEU 22 HA LEU 22 -7.071 8.173 -4.727 163 1HB LEU 22 HB2 LEU 22 -9.653 8.091 -6.278 164 2HB LEU 22 HB1 LEU 22 -9.074 9.530 -5.465 165 HG LEU 22 HG LEU 22 -7.683 8.093 -7.727 166 1HD1 LEU 22 HD11 LEU 22 -9.663 9.323 -8.437 167 2HD1 LEU 22 HD12 LEU 22 -8.193 10.129 -8.989 168 3HD1 LEU 22 HD13 LEU 22 -9.080 10.764 -7.601 169 1HD2 LEU 22 HD21 LEU 22 -6.922 10.608 -6.245 170 2HD2 LEU 22 HD22 LEU 22 -6.120 9.979 -7.684 171 3HD2 LEU 22 HD23 LEU 22 -6.072 9.064 -6.177 172 H LEU 23 HN LEU 23 -7.326 8.591 -2.654 173 HA LEU 23 HA LEU 23 -9.960 8.065 -1.444 174 1HB LEU 23 HB2 LEU 23 -8.093 6.506 -0.695 175 2HB LEU 23 HB1 LEU 23 -7.333 7.903 0.034 176 HG LEU 23 HG LEU 23 -10.129 7.083 0.791 177 1HD1 LEU 23 HD11 LEU 23 -8.696 5.138 1.123 178 2HD1 LEU 23 HD12 LEU 23 -9.171 5.846 2.668 179 3HD1 LEU 23 HD13 LEU 23 -7.551 6.128 2.028 180 1HD2 LEU 23 HD21 LEU 23 -9.403 9.314 1.479 181 2HD2 LEU 23 HD22 LEU 23 -7.975 8.620 2.244 182 3HD2 LEU 23 HD23 LEU 23 -9.579 8.248 2.872 183 H GLY 24 HN GLY 24 -10.896 9.942 -1.101 184 1HA GLY 24 HA2 GLY 24 -11.223 12.099 -0.366 185 2HA GLY 24 HA1 GLY 24 -9.619 12.046 0.352 186 H ASP 25 HN ASP 25 -7.883 12.854 -0.751 187 HA ASP 25 HA ASP 25 -8.424 13.974 -3.414 188 1HB ASP 25 HB2 ASP 25 -7.186 16.001 -2.831 189 2HB ASP 25 HB1 ASP 25 -8.557 15.779 -1.753 190 H GLU 26 HN GLU 26 -6.506 11.885 -1.675 191 HA GLU 26 HA GLU 26 -4.175 12.463 -3.381 192 1HB GLU 26 HB2 GLU 26 -2.744 11.482 -1.687 193 2HB GLU 26 HB1 GLU 26 -3.701 12.773 -0.995 194 1HG GLU 26 HG2 GLU 26 -5.193 11.174 0.029 195 2HG GLU 26 HG1 GLU 26 -4.298 9.846 -0.710 196 H GLN 27 HN GLN 27 -2.823 10.599 -3.930 197 HA GLN 27 HA GLN 27 -4.437 8.313 -4.680 198 1HB GLN 27 HB2 GLN 27 -1.600 9.118 -5.303 199 2HB GLN 27 HB1 GLN 27 -2.231 7.531 -5.722 200 1HG GLN 27 HG2 GLN 27 -4.104 8.850 -6.913 201 2HG GLN 27 HG1 GLN 27 -2.984 10.211 -6.805 202 1HE2 GLN 27 HE21 GLN 27 -1.081 10.176 -8.012 203 2HE2 GLN 27 HE22 GLN 27 -0.819 9.026 -9.288 204 H VAL 28 HN VAL 28 -4.355 6.382 -3.781 205 HA VAL 28 HA VAL 28 -2.471 5.938 -1.568 206 HB VAL 28 HB VAL 28 -5.302 4.902 -1.844 207 1HG1 VAL 28 HG11 VAL 28 -3.872 3.302 -0.686 208 2HG1 VAL 28 HG12 VAL 28 -5.011 4.046 0.435 209 3HG1 VAL 28 HG13 VAL 28 -3.326 4.567 0.413 210 1HG2 VAL 28 HG21 VAL 28 -5.820 6.362 0.039 211 2HG2 VAL 28 HG22 VAL 28 -5.217 7.292 -1.334 212 3HG2 VAL 28 HG23 VAL 28 -4.163 6.967 0.042 213 H ALA 29 HN ALA 29 -1.276 4.139 -1.647 214 HA ALA 29 HA ALA 29 -1.449 2.517 -4.058 215 1HB ALA 29 HB1 ALA 29 0.727 3.437 -3.414 216 2HB ALA 29 HB2 ALA 29 0.745 1.673 -3.401 217 3HB ALA 29 HB3 ALA 29 0.643 2.564 -1.883 218 H ILE 30 HN ILE 30 -2.501 0.678 -4.057 219 HA ILE 30 HA ILE 30 -3.007 -0.660 -1.490 220 HB ILE 30 HB ILE 30 -4.458 -1.032 -4.119 221 1HG1 ILE 30 HG12 ILE 30 -5.340 0.436 -1.619 222 2HG1 ILE 30 HG11 ILE 30 -4.794 1.216 -3.100 223 1HG2 ILE 30 HG21 ILE 30 -4.524 -3.022 -2.725 224 2HG2 ILE 30 HG22 ILE 30 -6.108 -2.248 -2.756 225 3HG2 ILE 30 HG23 ILE 30 -5.065 -2.064 -1.346 226 1HD1 ILE 30 HD11 ILE 30 -7.197 1.247 -2.969 227 2HD1 ILE 30 HD12 ILE 30 -7.240 -0.508 -2.783 228 3HD1 ILE 30 HD13 ILE 30 -6.685 0.204 -4.298 229 H PHE 31 HN PHE 31 -1.584 -2.204 -1.097 230 HA PHE 31 HA PHE 31 -0.407 -3.660 -3.355 231 1HB PHE 31 HB2 PHE 31 0.519 -3.344 -0.498 232 2HB PHE 31 HB1 PHE 31 1.315 -4.373 -1.681 233 HD1 PHE 31 HD1 PHE 31 2.234 -3.283 -3.778 234 HD2 PHE 31 HD2 PHE 31 1.033 -1.075 -0.345 235 HE1 PHE 31 HE1 PHE 31 3.590 -1.376 -4.535 236 HE2 PHE 31 HE2 PHE 31 2.385 0.837 -1.098 237 HZ PHE 31 HZ PHE 31 3.665 0.688 -3.195 238 H ARG 32 HN ARG 32 -0.781 -5.729 -3.670 239 HA ARG 32 HA ARG 32 -2.174 -7.251 -1.568 240 1HB ARG 32 HB2 ARG 32 -3.433 -6.975 -3.692 241 2HB ARG 32 HB1 ARG 32 -2.109 -7.742 -4.556 242 1HG ARG 32 HG2 ARG 32 -2.493 -9.809 -3.312 243 2HG ARG 32 HG1 ARG 32 -3.825 -9.038 -2.445 244 1HD ARG 32 HD2 ARG 32 -4.981 -8.677 -4.583 245 2HD ARG 32 HD1 ARG 32 -3.661 -9.486 -5.427 246 HE ARG 32 HE ARG 32 -4.875 -11.081 -3.354 247 1HH1 ARG 32 HH11 ARG 32 -5.098 -10.112 -6.723 248 2HH1 ARG 32 HH12 ARG 32 -5.925 -11.560 -7.213 249 1HH2 ARG 32 HH21 ARG 32 -5.996 -12.959 -4.005 250 2HH2 ARG 32 HH22 ARG 32 -6.445 -13.160 -5.669 251 HA PRO 33 HA PRO 33 1.860 -9.294 -1.764 252 1HB PRO 33 HB2 PRO 33 2.197 -9.540 0.876 253 2HB PRO 33 HB1 PRO 33 2.375 -7.980 0.069 254 1HG PRO 33 HG2 PRO 33 0.192 -8.964 1.806 255 2HG PRO 33 HG1 PRO 33 0.734 -7.305 1.513 256 1HD PRO 33 HD2 PRO 33 -1.479 -8.669 0.314 257 2HD PRO 33 HD1 PRO 33 -0.902 -7.025 -0.022 258 H TYR 34 HN TYR 34 -1.155 -10.443 -1.055 259 HA TYR 34 HA TYR 34 -0.123 -13.145 -0.502 260 1HB TYR 34 HB2 TYR 34 -2.744 -11.894 0.342 261 2HB TYR 34 HB1 TYR 34 -2.394 -13.611 0.477 262 HD1 TYR 34 HD1 TYR 34 -1.860 -10.319 1.906 263 HD2 TYR 34 HD2 TYR 34 -0.695 -14.405 2.086 264 HE1 TYR 34 HE1 TYR 34 -0.901 -9.939 4.136 265 HE2 TYR 34 HE2 TYR 34 0.273 -14.038 4.317 266 HH TYR 34 HH TYR 34 -0.349 -11.240 6.151 267 H HIS 35 HN HIS 35 -1.319 -14.898 -1.492 268 HA HIS 35 HA HIS 35 -2.345 -14.255 -4.115 269 1HB HIS 35 HB2 HIS 35 -2.385 -16.911 -2.660 270 2HB HIS 35 HB1 HIS 35 -2.654 -16.664 -4.378 271 HD1 HIS 35 HD1 HIS 35 0.015 -14.551 -4.188 272 HD2 HIS 35 HD2 HIS 35 -0.274 -18.644 -3.502 273 HE1 HIS 35 HE1 HIS 35 2.332 -15.456 -4.498 274 HE2 HIS 35 HE2 HIS 35 2.173 -17.879 -3.836 275 H SER 36 HN SER 36 -3.539 -14.379 -1.006 276 HA SER 36 HA SER 36 -6.265 -15.082 -1.716 277 1HB SER 36 HB2 SER 36 -6.566 -14.701 0.807 278 2HB SER 36 HB1 SER 36 -5.541 -16.050 0.317 279 HG SER 36 HG SER 36 -4.907 -14.005 1.866 280 H ASP 37 HN ASP 37 -7.394 -13.345 0.376 281 HA ASP 37 HA ASP 37 -7.886 -11.086 -1.364 282 1HB ASP 37 HB2 ASP 37 -9.133 -11.950 1.246 283 2HB ASP 37 HB1 ASP 37 -9.605 -10.490 0.389 284 H GLN 38 HN GLN 38 -6.015 -11.672 1.479 285 HA GLN 38 HA GLN 38 -6.268 -9.225 2.794 286 1HB GLN 38 HB2 GLN 38 -4.020 -11.227 2.763 287 2HB GLN 38 HB1 GLN 38 -3.968 -9.777 3.755 288 1HG GLN 38 HG2 GLN 38 -4.805 -11.244 5.264 289 2HG GLN 38 HG1 GLN 38 -6.309 -10.647 4.570 290 1HE2 GLN 38 HE21 GLN 38 -5.802 -13.134 5.925 291 2HE2 GLN 38 HE22 GLN 38 -6.208 -14.396 4.815 292 H VAL 39 HN VAL 39 -5.678 -7.261 2.363 293 HA VAL 39 HA VAL 39 -3.344 -6.724 0.669 294 HB VAL 39 HB VAL 39 -4.575 -4.902 -0.486 295 1HG1 VAL 39 HG11 VAL 39 -4.295 -7.047 -1.598 296 2HG1 VAL 39 HG12 VAL 39 -5.843 -6.319 -2.026 297 3HG1 VAL 39 HG13 VAL 39 -5.782 -7.639 -0.857 298 1HG2 VAL 39 HG21 VAL 39 -7.023 -4.862 -0.435 299 2HG2 VAL 39 HG22 VAL 39 -6.339 -4.535 1.158 300 3HG2 VAL 39 HG23 VAL 39 -7.016 -6.123 0.798 301 H PHE 40 HN PHE 40 -2.618 -4.445 0.858 302 HA PHE 40 HA PHE 40 -3.486 -3.132 3.340 303 1HB PHE 40 HB2 PHE 40 -0.621 -3.688 2.542 304 2HB PHE 40 HB1 PHE 40 -1.093 -2.607 3.848 305 HD1 PHE 40 HD1 PHE 40 -0.547 -6.028 2.847 306 HD2 PHE 40 HD2 PHE 40 -2.250 -3.535 5.845 307 HE1 PHE 40 HE1 PHE 40 -0.579 -7.931 4.404 308 HE2 PHE 40 HE2 PHE 40 -2.284 -5.433 7.410 309 HZ PHE 40 HZ PHE 40 -1.448 -7.636 6.689 310 H ALA 41 HN ALA 41 -3.042 -0.828 3.397 311 HA ALA 41 HA ALA 41 -2.475 0.330 0.764 312 1HB ALA 41 HB1 ALA 41 -4.808 1.068 2.525 313 2HB ALA 41 HB2 ALA 41 -4.888 0.225 0.977 314 3HB ALA 41 HB3 ALA 41 -4.339 1.901 1.044 315 H ILE 42 HN ILE 42 -1.063 1.901 0.828 316 HA ILE 42 HA ILE 42 -0.934 3.664 3.180 317 HB ILE 42 HB ILE 42 1.531 3.906 2.781 318 1HG1 ILE 42 HG12 ILE 42 1.189 1.394 1.126 319 2HG1 ILE 42 HG11 ILE 42 1.520 2.993 0.463 320 1HG2 ILE 42 HG21 ILE 42 0.703 2.561 4.621 321 2HG2 ILE 42 HG22 ILE 42 2.160 1.838 3.940 322 3HG2 ILE 42 HG23 ILE 42 0.579 1.155 3.562 323 1HD1 ILE 42 HD11 ILE 42 3.534 1.654 0.565 324 2HD1 ILE 42 HD12 ILE 42 3.316 1.423 2.299 325 3HD1 ILE 42 HD13 ILE 42 3.653 3.032 1.660 326 H SER 43 HN SER 43 0.279 5.783 2.485 327 HA SER 43 HA SER 43 -1.096 6.887 0.290 328 1HB SER 43 HB2 SER 43 -0.028 8.116 2.282 329 2HB SER 43 HB1 SER 43 1.477 8.025 1.375 330 HG SER 43 HG SER 43 -0.926 9.383 0.723 331 H ASN 44 HN ASN 44 -0.581 7.111 -1.837 332 HA ASN 44 HA ASN 44 1.458 5.295 -2.822 333 1HB ASN 44 HB2 ASN 44 -0.892 5.476 -3.755 334 2HB ASN 44 HB1 ASN 44 -0.426 7.030 -4.431 335 1HD2 ASN 44 HD21 ASN 44 -0.763 6.346 -6.530 336 2HD2 ASN 44 HD22 ASN 44 0.300 5.246 -7.326 337 H ILE 45 HN ILE 45 1.288 8.560 -2.069 338 HA ILE 45 HA ILE 45 3.287 9.328 -4.083 339 HB ILE 45 HB ILE 45 1.760 11.142 -2.201 340 1HG1 ILE 45 HG12 ILE 45 0.211 9.973 -3.728 341 2HG1 ILE 45 HG11 ILE 45 0.307 11.694 -4.084 342 1HG2 ILE 45 HG21 ILE 45 2.456 12.903 -3.786 343 2HG2 ILE 45 HG22 ILE 45 3.403 11.703 -4.667 344 3HG2 ILE 45 HG23 ILE 45 3.822 12.109 -3.002 345 1HD1 ILE 45 HD11 ILE 45 0.260 10.384 -6.117 346 2HD1 ILE 45 HD12 ILE 45 1.690 9.495 -5.598 347 3HD1 ILE 45 HD13 ILE 45 1.804 11.218 -5.953 348 H ASP 46 HN ASP 46 5.320 9.015 -3.347 349 HA ASP 46 HA ASP 46 6.060 9.222 -0.594 350 1HB ASP 46 HB2 ASP 46 7.348 7.868 -2.264 351 2HB ASP 46 HB1 ASP 46 7.868 9.369 -3.023 352 HA PRO 47 HA PRO 47 6.004 13.641 -0.624 353 1HB PRO 47 HB2 PRO 47 6.847 14.064 1.911 354 2HB PRO 47 HB1 PRO 47 5.231 13.464 1.525 355 1HG PRO 47 HG2 PRO 47 7.637 11.970 2.467 356 2HG PRO 47 HG1 PRO 47 5.937 11.760 2.918 357 1HD PRO 47 HD2 PRO 47 7.259 10.166 1.119 358 2HD PRO 47 HD1 PRO 47 5.503 10.421 1.116 359 H PHE 48 HN PHE 48 8.942 11.897 0.282 360 HA PHE 48 HA PHE 48 10.488 14.375 0.221 361 1HB PHE 48 HB2 PHE 48 11.284 11.554 0.955 362 2HB PHE 48 HB1 PHE 48 12.370 12.939 0.999 363 HD1 PHE 48 HD1 PHE 48 11.790 14.865 2.536 364 HD2 PHE 48 HD2 PHE 48 9.902 11.059 2.770 365 HE1 PHE 48 HE1 PHE 48 11.065 15.371 4.832 366 HE2 PHE 48 HE2 PHE 48 9.172 11.558 5.066 367 HZ PHE 48 HZ PHE 48 9.753 13.717 6.100 368 H PHE 49 HN PHE 49 10.325 11.259 -1.437 369 HA PHE 49 HA PHE 49 12.431 12.063 -3.295 370 1HB PHE 49 HB2 PHE 49 12.057 9.709 -2.244 371 2HB PHE 49 HB1 PHE 49 10.804 9.538 -3.465 372 HD1 PHE 49 HD1 PHE 49 11.387 8.492 -5.417 373 HD2 PHE 49 HD2 PHE 49 14.370 10.600 -3.236 374 HE1 PHE 49 HE1 PHE 49 13.095 7.732 -7.021 375 HE2 PHE 49 HE2 PHE 49 16.081 9.846 -4.834 376 HZ PHE 49 HZ PHE 49 15.446 8.402 -6.719 377 H GLU 50 HN GLU 50 9.044 11.966 -3.015 378 HA GLU 50 HA GLU 50 7.316 12.579 -4.302 379 1HB GLU 50 HB2 GLU 50 8.613 14.635 -4.662 380 2HB GLU 50 HB1 GLU 50 9.391 13.896 -6.057 381 1HG GLU 50 HG2 GLU 50 7.208 13.688 -7.150 382 2HG GLU 50 HG1 GLU 50 6.449 14.465 -5.762 383 H SER 51 HN SER 51 6.739 10.525 -4.850 384 HA SER 51 HA SER 51 7.128 9.940 -7.698 385 1HB SER 51 HB2 SER 51 8.462 8.325 -6.353 386 2HB SER 51 HB1 SER 51 6.992 7.852 -5.499 387 HG SER 51 HG SER 51 6.815 6.453 -7.064 388 H SER 52 HN SER 52 5.269 9.534 -8.774 389 HA SER 52 HA SER 52 2.795 10.079 -7.488 390 1HB SER 52 HB2 SER 52 3.279 8.935 -10.251 391 2HB SER 52 HB1 SER 52 1.800 9.708 -9.680 392 HG SER 52 HG SER 52 2.836 11.652 -9.583 393 H VAL 53 HN VAL 53 4.489 7.173 -8.442 394 HA VAL 53 HA VAL 53 2.382 5.607 -7.135 395 HB VAL 53 HB VAL 53 2.904 3.731 -8.752 396 1HG1 VAL 53 HG11 VAL 53 1.422 4.603 -10.498 397 2HG1 VAL 53 HG12 VAL 53 1.653 6.237 -9.875 398 3HG1 VAL 53 HG13 VAL 53 0.842 5.024 -8.886 399 1HG2 VAL 53 HG21 VAL 53 4.156 5.981 -10.328 400 2HG2 VAL 53 HG22 VAL 53 3.826 4.359 -10.936 401 3HG2 VAL 53 HG23 VAL 53 5.003 4.594 -9.644 402 H LEU 54 HN LEU 54 3.142 4.577 -5.420 403 HA LEU 54 HA LEU 54 5.929 3.698 -5.336 404 1HB LEU 54 HB2 LEU 54 3.699 3.496 -3.306 405 2HB LEU 54 HB1 LEU 54 5.329 2.898 -3.048 406 HG LEU 54 HG LEU 54 4.558 5.789 -3.486 407 1HD1 LEU 54 HD11 LEU 54 5.254 6.067 -1.154 408 2HD1 LEU 54 HD12 LEU 54 5.504 4.327 -1.025 409 3HD1 LEU 54 HD13 LEU 54 3.884 4.967 -1.303 410 1HD2 LEU 54 HD21 LEU 54 6.752 5.291 -4.420 411 2HD2 LEU 54 HD22 LEU 54 7.242 4.539 -2.902 412 3HD2 LEU 54 HD23 LEU 54 6.901 6.269 -2.960 413 H SER 55 HN SER 55 3.172 2.690 -6.667 414 HA SER 55 HA SER 55 2.932 -0.026 -5.924 415 1HB SER 55 HB2 SER 55 2.070 1.085 -8.584 416 2HB SER 55 HB1 SER 55 1.272 -0.123 -7.570 417 HG SER 55 HG SER 55 0.464 1.422 -6.316 418 H ARG 56 HN ARG 56 5.403 1.438 -7.552 419 HA ARG 56 HA ARG 56 5.885 -0.666 -9.505 420 1HB ARG 56 HB2 ARG 56 7.298 1.923 -8.883 421 2HB ARG 56 HB1 ARG 56 7.937 0.746 -10.019 422 1HG ARG 56 HG2 ARG 56 5.853 0.970 -11.343 423 2HG ARG 56 HG1 ARG 56 5.346 2.256 -10.244 424 1HD ARG 56 HD2 ARG 56 7.276 3.578 -10.829 425 2HD ARG 56 HD1 ARG 56 7.913 2.272 -11.822 426 HE ARG 56 HE ARG 56 5.521 3.869 -12.461 427 1HH1 ARG 56 HH11 ARG 56 8.160 1.776 -13.417 428 2HH1 ARG 56 HH12 ARG 56 7.951 2.079 -15.120 429 1HH2 ARG 56 HH21 ARG 56 5.240 4.263 -14.712 430 2HH2 ARG 56 HH22 ARG 56 6.285 3.469 -15.851 431 H GLY 57 HN GLY 57 5.967 -1.629 -6.878 432 1HA GLY 57 HA2 GLY 57 8.848 -2.167 -6.582 433 2HA GLY 57 HA1 GLY 57 7.894 -1.694 -5.187 434 H LEU 58 HN LEU 58 9.337 -4.041 -5.248 435 HA LEU 58 HA LEU 58 7.318 -6.138 -5.632 436 1HB LEU 58 HB2 LEU 58 9.122 -7.750 -5.546 437 2HB LEU 58 HB1 LEU 58 9.471 -6.533 -6.754 438 HG LEU 58 HG LEU 58 10.656 -6.345 -3.996 439 1HD1 LEU 58 HD11 LEU 58 11.781 -7.854 -6.356 440 2HD1 LEU 58 HD12 LEU 58 11.206 -8.564 -4.848 441 3HD1 LEU 58 HD13 LEU 58 12.627 -7.519 -4.846 442 1HD2 LEU 58 HD21 LEU 58 12.399 -5.098 -5.176 443 2HD2 LEU 58 HD22 LEU 58 10.812 -4.372 -5.436 444 3HD2 LEU 58 HD23 LEU 58 11.552 -5.352 -6.702 445 H ILE 59 HN ILE 59 7.099 -7.757 -3.939 446 HA ILE 59 HA ILE 59 7.404 -6.491 -1.302 447 HB ILE 59 HB ILE 59 5.346 -8.533 -2.161 448 1HG1 ILE 59 HG12 ILE 59 5.015 -5.570 -1.630 449 2HG1 ILE 59 HG11 ILE 59 5.102 -6.288 -3.234 450 1HG2 ILE 59 HG21 ILE 59 4.271 -8.016 -0.023 451 2HG2 ILE 59 HG22 ILE 59 5.595 -6.923 0.380 452 3HG2 ILE 59 HG23 ILE 59 5.899 -8.653 0.216 453 1HD1 ILE 59 HD11 ILE 59 2.976 -6.783 -1.168 454 2HD1 ILE 59 HD12 ILE 59 3.071 -7.575 -2.740 455 3HD1 ILE 59 HD13 ILE 59 2.814 -5.832 -2.643 456 H ALA 60 HN ALA 60 8.730 -7.419 0.074 457 HA ALA 60 HA ALA 60 9.586 -10.191 -0.420 458 1HB ALA 60 HB1 ALA 60 11.592 -9.630 0.856 459 2HB ALA 60 HB2 ALA 60 10.968 -8.005 1.136 460 3HB ALA 60 HB3 ALA 60 11.374 -8.524 -0.500 461 H GLU 61 HN GLU 61 9.896 -11.584 1.394 462 HA GLU 61 HA GLU 61 8.131 -10.934 3.654 463 1HB GLU 61 HB2 GLU 61 7.128 -12.686 2.371 464 2HB GLU 61 HB1 GLU 61 8.648 -13.557 2.248 465 1HG GLU 61 HG2 GLU 61 7.767 -13.132 4.997 466 2HG GLU 61 HG1 GLU 61 6.644 -14.083 4.032 467 H HIS 62 HN HIS 62 8.907 -11.135 5.677 468 HA HIS 62 HA HIS 62 11.413 -12.635 6.035 469 1HB HIS 62 HB2 HIS 62 11.842 -10.165 6.124 470 2HB HIS 62 HB1 HIS 62 10.754 -10.071 7.506 471 HD1 HIS 62 HD1 HIS 62 11.677 -10.768 9.788 472 HD2 HIS 62 HD2 HIS 62 14.306 -11.504 6.640 473 HE1 HIS 62 HE1 HIS 62 13.865 -11.398 10.855 474 HE2 HIS 62 HE2 HIS 62 15.474 -11.691 8.942 475 H GLN 63 HN GLN 63 9.859 -14.327 6.542 476 HA GLN 63 HA GLN 63 9.134 -15.795 8.115 477 1HB GLN 63 HB2 GLN 63 10.795 -13.949 9.653 478 2HB GLN 63 HB1 GLN 63 9.535 -14.698 10.619 479 1HG GLN 63 HG2 GLN 63 11.393 -16.088 10.858 480 2HG GLN 63 HG1 GLN 63 10.342 -16.919 9.718 481 1HE2 GLN 63 HE21 GLN 63 11.116 -15.192 7.473 482 2HE2 GLN 63 HE22 GLN 63 12.716 -15.680 7.031 483 H GLY 64 HN GLY 64 7.453 -13.623 7.096 484 1HA GLY 64 HA2 GLY 64 5.041 -13.858 7.581 485 2HA GLY 64 HA1 GLY 64 5.454 -13.614 9.271 486 H GLU 65 HN GLU 65 7.486 -11.537 8.256 487 HA GLU 65 HA GLU 65 5.568 -9.345 8.246 488 1HB GLU 65 HB2 GLU 65 7.504 -9.327 9.825 489 2HB GLU 65 HB1 GLU 65 8.584 -9.234 8.439 490 1HG GLU 65 HG2 GLU 65 8.178 -7.059 9.522 491 2HG GLU 65 HG1 GLU 65 7.707 -7.093 7.823 492 H LEU 66 HN LEU 66 5.394 -7.865 6.590 493 HA LEU 66 HA LEU 66 6.601 -8.780 4.061 494 1HB LEU 66 HB2 LEU 66 3.884 -7.555 4.529 495 2HB LEU 66 HB1 LEU 66 4.548 -7.961 2.957 496 HG LEU 66 HG LEU 66 4.017 -9.967 5.149 497 1HD1 LEU 66 HD11 LEU 66 1.939 -8.998 4.328 498 2HD1 LEU 66 HD12 LEU 66 2.115 -10.673 3.804 499 3HD1 LEU 66 HD13 LEU 66 2.419 -9.357 2.669 500 1HD2 LEU 66 HD21 LEU 66 4.767 -10.307 2.247 501 2HD2 LEU 66 HD22 LEU 66 4.336 -11.612 3.352 502 3HD2 LEU 66 HD23 LEU 66 5.790 -10.656 3.642 503 H TRP 67 HN TRP 67 7.826 -7.407 3.033 504 HA TRP 67 HA TRP 67 7.612 -4.534 3.675 505 1HB TRP 67 HB2 TRP 67 10.101 -6.140 3.041 506 2HB TRP 67 HB1 TRP 67 10.054 -4.400 3.296 507 HD1 TRP 67 HD1 TRP 67 9.524 -7.689 5.248 508 HE1 TRP 67 HE1 TRP 67 9.994 -7.230 7.734 509 HE3 TRP 67 HE3 TRP 67 10.240 -2.642 4.994 510 HZ2 TRP 67 HZ2 TRP 67 10.616 -4.996 9.371 511 HZ3 TRP 67 HZ3 TRP 67 10.776 -1.417 7.057 512 HH2 TRP 67 HH2 TRP 67 10.963 -2.566 9.196 513 H VAL 68 HN VAL 68 7.270 -3.232 1.960 514 HA VAL 68 HA VAL 68 7.593 -4.396 -0.706 515 HB VAL 68 HB VAL 68 5.421 -3.353 -0.277 516 1HG1 VAL 68 HG11 VAL 68 6.948 -0.782 0.099 517 2HG1 VAL 68 HG12 VAL 68 6.096 -1.679 1.356 518 3HG1 VAL 68 HG13 VAL 68 5.192 -0.948 0.030 519 1HG2 VAL 68 HG21 VAL 68 5.340 -1.874 -2.240 520 2HG2 VAL 68 HG22 VAL 68 6.255 -3.350 -2.550 521 3HG2 VAL 68 HG23 VAL 68 7.104 -1.831 -2.261 522 H ALA 69 HN ALA 69 9.242 -3.899 -1.949 523 HA ALA 69 HA ALA 69 10.970 -1.660 -1.130 524 1HB ALA 69 HB1 ALA 69 12.013 -3.866 -0.898 525 2HB ALA 69 HB2 ALA 69 12.828 -2.888 -2.118 526 3HB ALA 69 HB3 ALA 69 11.731 -4.177 -2.610 527 H SER 70 HN SER 70 10.731 0.032 -2.401 528 HA SER 70 HA SER 70 9.995 -0.335 -5.204 529 1HB SER 70 HB2 SER 70 10.331 2.230 -3.630 530 2HB SER 70 HB1 SER 70 9.585 2.060 -5.221 531 HG SER 70 HG SER 70 8.442 0.386 -3.441 532 HA PRO 71 HA PRO 71 14.407 -0.237 -6.104 533 1HB PRO 71 HB2 PRO 71 13.401 -0.273 -8.888 534 2HB PRO 71 HB1 PRO 71 14.518 -1.377 -8.080 535 1HG PRO 71 HG2 PRO 71 12.019 -2.121 -8.648 536 2HG PRO 71 HG1 PRO 71 12.806 -2.627 -7.141 537 1HD PRO 71 HD2 PRO 71 10.784 -0.464 -7.590 538 2HD PRO 71 HD1 PRO 71 10.897 -1.643 -6.266 539 H LEU 72 HN LEU 72 12.012 2.023 -6.940 540 HA LEU 72 HA LEU 72 13.380 3.801 -8.605 541 1HB LEU 72 HB2 LEU 72 11.243 4.298 -6.535 542 2HB LEU 72 HB1 LEU 72 11.839 5.544 -7.610 543 HG LEU 72 HG LEU 72 11.082 4.091 -9.541 544 1HD1 LEU 72 HD11 LEU 72 9.644 2.619 -7.338 545 2HD1 LEU 72 HD12 LEU 72 10.925 1.967 -8.360 546 3HD1 LEU 72 HD13 LEU 72 9.372 2.412 -9.069 547 1HD2 LEU 72 HD21 LEU 72 9.845 6.054 -8.800 548 2HD2 LEU 72 HD22 LEU 72 8.992 5.077 -7.605 549 3HD2 LEU 72 HD23 LEU 72 8.749 4.776 -9.326 550 H LYS 73 HN LYS 73 13.486 3.356 -5.125 551 HA LYS 73 HA LYS 73 15.842 5.071 -5.007 552 1HB LYS 73 HB2 LYS 73 13.908 6.548 -4.498 553 2HB LYS 73 HB1 LYS 73 13.461 5.480 -3.177 554 1HG LYS 73 HG2 LYS 73 15.899 5.978 -2.359 555 2HG LYS 73 HG1 LYS 73 15.728 7.395 -3.390 556 1HD LYS 73 HD2 LYS 73 13.997 8.273 -2.124 557 2HD LYS 73 HD1 LYS 73 13.589 6.710 -1.417 558 1HE LYS 73 HE2 LYS 73 16.121 8.246 -0.844 559 2HE LYS 73 HE1 LYS 73 14.685 8.269 0.178 560 1HZ LYS 73 HZ1 LYS 73 14.932 5.825 0.404 561 2HZ LYS 73 HZ2 LYS 73 16.230 6.691 1.059 562 3HZ LYS 73 HZ3 LYS 73 16.402 5.918 -0.435 563 H LYS 74 HN LYS 74 14.765 2.144 -4.532 564 HA LYS 74 HA LYS 74 15.150 0.391 -3.111 565 1HB LYS 74 HB2 LYS 74 17.502 1.170 -3.259 566 2HB LYS 74 HB1 LYS 74 17.219 2.267 -1.917 567 1HG LYS 74 HG2 LYS 74 16.591 0.121 -0.612 568 2HG LYS 74 HG1 LYS 74 17.457 -0.712 -1.906 569 1HD LYS 74 HD2 LYS 74 18.900 -0.210 0.035 570 2HD LYS 74 HD1 LYS 74 19.456 0.575 -1.444 571 1HE LYS 74 HE2 LYS 74 19.563 2.077 0.505 572 2HE LYS 74 HE1 LYS 74 18.469 2.674 -0.740 573 1HZ LYS 74 HZ1 LYS 74 17.440 2.948 1.385 574 2HZ LYS 74 HZ2 LYS 74 17.715 1.325 1.798 575 3HZ LYS 74 HZ3 LYS 74 16.615 1.715 0.566 576 H GLN 75 HN GLN 75 13.082 2.154 -2.617 577 HA GLN 75 HA GLN 75 13.059 3.039 0.126 578 1HB GLN 75 HB2 GLN 75 11.932 4.069 -2.004 579 2HB GLN 75 HB1 GLN 75 10.652 2.918 -1.663 580 1HG GLN 75 HG2 GLN 75 10.023 4.987 -0.715 581 2HG GLN 75 HG1 GLN 75 10.465 3.915 0.612 582 1HE2 GLN 75 HE21 GLN 75 10.391 6.895 0.303 583 2HE2 GLN 75 HE22 GLN 75 11.961 7.416 0.817 584 H ARG 76 HN ARG 76 12.392 1.849 1.813 585 HA ARG 76 HA ARG 76 11.008 -0.696 1.262 586 1HB ARG 76 HB2 ARG 76 13.026 0.028 3.381 587 2HB ARG 76 HB1 ARG 76 12.076 -1.447 3.430 588 1HG ARG 76 HG2 ARG 76 13.082 -2.207 1.370 589 2HG ARG 76 HG1 ARG 76 13.973 -0.689 1.218 590 1HD ARG 76 HD2 ARG 76 15.283 -1.154 3.128 591 2HD ARG 76 HD1 ARG 76 14.232 -2.479 3.618 592 HE ARG 76 HE ARG 76 15.559 -2.824 1.061 593 1HH1 ARG 76 HH11 ARG 76 15.688 -3.368 4.520 594 2HH1 ARG 76 HH12 ARG 76 16.738 -4.751 4.394 595 1HH2 ARG 76 HH21 ARG 76 16.935 -4.632 0.893 596 2HH2 ARG 76 HH22 ARG 76 17.448 -5.466 2.325 597 H PHE 77 HN PHE 77 8.938 -0.613 1.868 598 HA PHE 77 HA PHE 77 8.284 0.763 4.402 599 1HB PHE 77 HB2 PHE 77 6.527 0.298 1.982 600 2HB PHE 77 HB1 PHE 77 5.956 0.943 3.515 601 HD1 PHE 77 HD1 PHE 77 7.007 3.121 4.333 602 HD2 PHE 77 HD2 PHE 77 7.356 1.696 0.341 603 HE1 PHE 77 HE1 PHE 77 7.530 5.400 3.572 604 HE2 PHE 77 HE2 PHE 77 7.884 3.971 -0.429 605 HZ PHE 77 HZ PHE 77 7.971 5.827 1.187 606 H ARG 78 HN ARG 78 7.498 -0.453 6.005 607 HA ARG 78 HA ARG 78 6.934 -3.252 5.584 608 1HB ARG 78 HB2 ARG 78 8.041 -2.427 7.649 609 2HB ARG 78 HB1 ARG 78 6.563 -1.575 8.075 610 1HG ARG 78 HG2 ARG 78 5.367 -3.620 8.327 611 2HG ARG 78 HG1 ARG 78 6.709 -4.547 7.659 612 1HD ARG 78 HD2 ARG 78 6.779 -4.849 9.997 613 2HD ARG 78 HD1 ARG 78 8.088 -3.741 9.599 614 HE ARG 78 HE ARG 78 6.675 -1.941 10.449 615 1HH1 ARG 78 HH11 ARG 78 5.770 -5.228 11.264 616 2HH1 ARG 78 HH12 ARG 78 4.970 -4.769 12.744 617 1HH2 ARG 78 HH21 ARG 78 5.625 -1.350 12.424 618 2HH2 ARG 78 HH22 ARG 78 4.896 -2.588 13.402 619 H LEU 79 HN LEU 79 5.040 -4.007 4.929 620 HA LEU 79 HA LEU 79 2.892 -2.228 4.394 621 1HB LEU 79 HB2 LEU 79 3.077 -5.230 4.205 622 2HB LEU 79 HB1 LEU 79 1.706 -4.296 3.639 623 HG LEU 79 HG LEU 79 4.529 -4.066 2.590 624 1HD1 LEU 79 HD11 LEU 79 3.626 -5.092 0.568 625 2HD1 LEU 79 HD12 LEU 79 2.060 -5.282 1.357 626 3HD1 LEU 79 HD13 LEU 79 3.463 -6.166 1.956 627 1HD2 LEU 79 HD21 LEU 79 3.526 -2.647 0.865 628 2HD2 LEU 79 HD22 LEU 79 3.332 -1.949 2.472 629 3HD2 LEU 79 HD23 LEU 79 1.969 -2.748 1.686 630 H SER 80 HN SER 80 3.617 -4.131 7.154 631 HA SER 80 HA SER 80 1.046 -4.709 8.096 632 1HB SER 80 HB2 SER 80 3.146 -5.647 9.048 633 2HB SER 80 HB1 SER 80 3.497 -4.074 9.760 634 HG SER 80 HG SER 80 0.986 -5.169 10.305 635 H ASP 81 HN ASP 81 2.815 -1.715 8.006 636 HA ASP 81 HA ASP 81 0.383 -0.349 8.805 637 1HB ASP 81 HB2 ASP 81 1.579 -0.582 10.941 638 2HB ASP 81 HB1 ASP 81 3.002 0.171 10.231 639 H GLY 82 HN GLY 82 3.788 0.555 8.431 640 1HA GLY 82 HA2 GLY 82 3.850 1.484 5.876 641 2HA GLY 82 HA1 GLY 82 3.090 2.794 6.773 642 H LEU 83 HN LEU 83 5.536 0.622 8.009 643 HA LEU 83 HA LEU 83 7.111 2.906 8.832 644 1HB LEU 83 HB2 LEU 83 6.699 1.033 10.384 645 2HB LEU 83 HB1 LEU 83 7.548 -0.047 9.293 646 HG LEU 83 HG LEU 83 9.534 1.618 9.621 647 1HD1 LEU 83 HD11 LEU 83 9.575 2.648 11.829 648 2HD1 LEU 83 HD12 LEU 83 7.912 2.134 12.103 649 3HD1 LEU 83 HD13 LEU 83 8.274 3.306 10.835 650 1HD2 LEU 83 HD21 LEU 83 9.591 -0.699 10.296 651 2HD2 LEU 83 HD22 LEU 83 8.659 -0.327 11.749 652 3HD2 LEU 83 HD23 LEU 83 10.293 0.316 11.558 653 H CYS 84 HN CYS 84 8.403 3.744 7.315 654 HA CYS 84 HA CYS 84 9.856 2.038 5.478 655 1HB CYS 84 HB2 CYS 84 9.079 4.243 4.720 656 2HB CYS 84 HB1 CYS 84 10.020 5.015 5.990 657 HG CYS 84 HG CYS 84 10.999 4.973 3.120 658 H MET 85 HN MET 85 11.942 1.366 5.764 659 HA MET 85 HA MET 85 13.050 1.426 8.353 660 1HB MET 85 HB2 MET 85 14.438 0.788 5.744 661 2HB MET 85 HB1 MET 85 15.061 0.423 7.347 662 1HG MET 85 HG2 MET 85 13.080 -1.010 7.732 663 2HG MET 85 HG1 MET 85 12.595 -0.720 6.064 664 1HE MET 85 HE1 MET 85 15.156 -2.392 8.469 665 2HE MET 85 HE2 MET 85 16.211 -1.289 7.584 666 3HE MET 85 HE3 MET 85 16.373 -3.031 7.362 667 H GLU 86 HN GLU 86 13.378 3.599 5.674 668 HA GLU 86 HA GLU 86 15.639 4.960 6.908 669 1HB GLU 86 HB2 GLU 86 14.173 5.467 4.317 670 2HB GLU 86 HB1 GLU 86 15.539 6.417 4.887 671 1HG GLU 86 HG2 GLU 86 16.945 4.420 4.849 672 2HG GLU 86 HG1 GLU 86 15.577 3.473 4.270 673 H ASP 87 HN ASP 87 12.240 5.532 6.170 674 HA ASP 87 HA ASP 87 12.361 8.192 7.352 675 1HB ASP 87 HB2 ASP 87 11.132 7.830 5.207 676 2HB ASP 87 HB1 ASP 87 9.978 6.829 6.081 677 H GLU 88 HN GLU 88 12.333 5.378 8.722 678 HA GLU 88 HA GLU 88 10.056 5.007 10.236 679 1HB GLU 88 HB2 GLU 88 11.498 3.834 11.869 680 2HB GLU 88 HB1 GLU 88 11.799 3.355 10.206 681 1HG GLU 88 HG2 GLU 88 13.835 4.510 10.123 682 2HG GLU 88 HG1 GLU 88 13.467 5.434 11.580 683 H GLN 89 HN GLN 89 12.044 7.688 10.396 684 HA GLN 89 HA GLN 89 11.909 8.438 13.090 685 1HB GLN 89 HB2 GLN 89 11.769 10.250 10.673 686 2HB GLN 89 HB1 GLN 89 12.294 10.695 12.291 687 1HG GLN 89 HG2 GLN 89 13.689 8.767 10.445 688 2HG GLN 89 HG1 GLN 89 14.184 10.425 10.785 689 1HE2 GLN 89 HE21 GLN 89 15.097 10.921 12.758 690 2HE2 GLN 89 HE22 GLN 89 15.692 9.701 13.843 691 H PHE 90 HN PHE 90 9.598 8.746 10.430 692 HA PHE 90 HA PHE 90 7.499 9.350 12.383 693 1HB PHE 90 HB2 PHE 90 8.208 11.039 10.008 694 2HB PHE 90 HB1 PHE 90 6.547 10.977 10.588 695 HD1 PHE 90 HD1 PHE 90 9.786 12.421 11.040 696 HD2 PHE 90 HD2 PHE 90 6.100 11.593 12.994 697 HE1 PHE 90 HE1 PHE 90 10.313 14.114 12.746 698 HE2 PHE 90 HE2 PHE 90 6.618 13.284 14.703 699 HZ PHE 90 HZ PHE 90 8.727 14.548 14.580 700 H SER 91 HN SER 91 8.388 8.251 9.171 701 HA SER 91 HA SER 91 7.527 6.643 7.840 702 1HB SER 91 HB2 SER 91 5.495 6.187 10.036 703 2HB SER 91 HB1 SER 91 5.784 5.123 8.658 704 HG SER 91 HG SER 91 7.905 5.842 10.360 705 H VAL 92 HN VAL 92 5.167 5.980 6.875 706 HA VAL 92 HA VAL 92 4.204 8.577 5.917 707 HB VAL 92 HB VAL 92 3.374 7.345 3.938 708 1HG1 VAL 92 HG11 VAL 92 5.556 8.409 3.890 709 2HG1 VAL 92 HG12 VAL 92 5.571 6.922 2.943 710 3HG1 VAL 92 HG13 VAL 92 6.301 6.954 4.549 711 1HG2 VAL 92 HG21 VAL 92 4.118 5.032 3.560 712 2HG2 VAL 92 HG22 VAL 92 3.030 5.155 4.943 713 3HG2 VAL 92 HG23 VAL 92 4.766 4.982 5.200 714 H LYS 93 HN LYS 93 1.907 8.085 4.769 715 HA LYS 93 HA LYS 93 0.077 7.925 6.977 716 1HB LYS 93 HB2 LYS 93 -0.052 9.538 5.035 717 2HB LYS 93 HB1 LYS 93 -0.519 8.180 4.029 718 1HG LYS 93 HG2 LYS 93 -2.551 9.092 4.518 719 2HG LYS 93 HG1 LYS 93 -2.411 7.883 5.795 720 1HD LYS 93 HD2 LYS 93 -1.961 9.473 7.424 721 2HD LYS 93 HD1 LYS 93 -1.443 10.679 6.243 722 1HE LYS 93 HE2 LYS 93 -4.265 9.705 6.682 723 2HE LYS 93 HE1 LYS 93 -3.615 11.270 7.169 724 1HZ LYS 93 HZ1 LYS 93 -3.156 11.692 4.768 725 2HZ LYS 93 HZ2 LYS 93 -4.806 11.572 5.144 726 3HZ LYS 93 HZ3 LYS 93 -4.010 10.275 4.396 727 H HIS 94 HN HIS 94 -0.909 6.118 7.654 728 HA HIS 94 HA HIS 94 -1.013 3.796 5.855 729 1HB HIS 94 HB2 HIS 94 0.054 3.341 7.986 730 2HB HIS 94 HB1 HIS 94 -1.325 3.998 8.860 731 HD1 HIS 94 HD1 HIS 94 -2.268 2.020 10.043 732 HD2 HIS 94 HD2 HIS 94 -1.413 1.191 6.059 733 HE1 HIS 94 HE1 HIS 94 -3.165 -0.290 9.624 734 HE2 HIS 94 HE2 HIS 94 -2.806 -0.683 7.165 735 H TYR 95 HN TYR 95 -2.908 2.871 5.234 736 HA TYR 95 HA TYR 95 -5.391 4.037 6.303 737 1HB TYR 95 HB2 TYR 95 -4.795 3.157 3.473 738 2HB TYR 95 HB1 TYR 95 -6.398 3.593 4.060 739 HD1 TYR 95 HD1 TYR 95 -3.256 4.815 2.805 740 HD2 TYR 95 HD2 TYR 95 -6.790 5.923 4.888 741 HE1 TYR 95 HE1 TYR 95 -2.778 7.178 2.343 742 HE2 TYR 95 HE2 TYR 95 -6.330 8.289 4.437 743 HH TYR 95 HH TYR 95 -3.811 9.288 2.260 744 H GLU 96 HN GLU 96 -7.180 2.658 6.474 745 HA GLU 96 HA GLU 96 -6.506 -0.116 6.950 746 1HB GLU 96 HB2 GLU 96 -9.161 1.315 7.190 747 2HB GLU 96 HB1 GLU 96 -8.796 -0.294 7.798 748 1HG GLU 96 HG2 GLU 96 -7.464 2.239 8.725 749 2HG GLU 96 HG1 GLU 96 -8.800 1.436 9.548 750 H ALA 97 HN ALA 97 -7.006 -1.790 5.629 751 HA ALA 97 HA ALA 97 -8.637 -1.210 3.252 752 1HB ALA 97 HB1 ALA 97 -6.006 -2.691 3.266 753 2HB ALA 97 HB2 ALA 97 -6.286 -1.076 2.614 754 3HB ALA 97 HB3 ALA 97 -7.060 -2.474 1.869 755 H ARG 98 HN ARG 98 -10.080 -2.739 2.730 756 HA ARG 98 HA ARG 98 -9.660 -5.482 3.619 757 1HB ARG 98 HB2 ARG 98 -11.773 -5.734 4.683 758 2HB ARG 98 HB1 ARG 98 -11.033 -4.308 5.392 759 1HG ARG 98 HG2 ARG 98 -12.432 -2.865 4.058 760 2HG ARG 98 HG1 ARG 98 -13.114 -4.260 3.216 761 1HD ARG 98 HD2 ARG 98 -13.970 -5.093 5.380 762 2HD ARG 98 HD1 ARG 98 -13.363 -3.632 6.154 763 HE ARG 98 HE ARG 98 -15.030 -2.829 4.073 764 1HH1 ARG 98 HH11 ARG 98 -15.262 -4.618 7.076 765 2HH1 ARG 98 HH12 ARG 98 -16.908 -4.148 7.375 766 1HH2 ARG 98 HH21 ARG 98 -17.189 -2.205 4.463 767 2HH2 ARG 98 HH22 ARG 98 -18.008 -2.770 5.893 768 H VAL 99 HN VAL 99 -11.089 -6.992 2.489 769 HA VAL 99 HA VAL 99 -11.973 -5.872 -0.081 770 HB VAL 99 HB VAL 99 -11.179 -8.730 0.493 771 1HG1 VAL 99 HG11 VAL 99 -12.764 -8.534 -1.336 772 2HG1 VAL 99 HG12 VAL 99 -11.165 -8.950 -1.956 773 3HG1 VAL 99 HG13 VAL 99 -11.764 -7.297 -2.096 774 1HG2 VAL 99 HG21 VAL 99 -9.280 -7.174 0.682 775 2HG2 VAL 99 HG22 VAL 99 -9.623 -6.582 -0.945 776 3HG2 VAL 99 HG23 VAL 99 -9.127 -8.257 -0.701 777 H LYS 100 HN LYS 100 -14.060 -5.490 0.091 778 HA LYS 100 HA LYS 100 -15.811 -7.234 1.617 779 1HB LYS 100 HB2 LYS 100 -16.017 -4.742 1.692 780 2HB LYS 100 HB1 LYS 100 -16.490 -4.770 0.001 781 1HG LYS 100 HG2 LYS 100 -18.407 -6.244 0.656 782 2HG LYS 100 HG1 LYS 100 -17.978 -5.935 2.340 783 1HD LYS 100 HD2 LYS 100 -19.422 -4.219 2.126 784 2HD LYS 100 HD1 LYS 100 -18.045 -3.412 1.379 785 1HE LYS 100 HE2 LYS 100 -20.326 -4.816 -0.003 786 2HE LYS 100 HE1 LYS 100 -19.960 -3.094 -0.024 787 1HZ LYS 100 HZ1 LYS 100 -19.263 -4.064 -2.071 788 2HZ LYS 100 HZ2 LYS 100 -18.383 -5.278 -1.284 789 3HZ LYS 100 HZ3 LYS 100 -17.870 -3.660 -1.200 790 H ASP 101 HN ASP 101 -16.282 -9.062 0.613 791 HA ASP 101 HA ASP 101 -16.939 -10.577 -0.932 792 1HB ASP 101 HB2 ASP 101 -19.065 -10.191 -1.913 793 2HB ASP 101 HB1 ASP 101 -19.048 -9.323 -0.391 794 H GLY 102 HN GLY 102 -14.695 -8.927 -1.775 795 1HA GLY 102 HA2 GLY 102 -13.473 -9.498 -3.787 796 2HA GLY 102 HA1 GLY 102 -14.984 -9.367 -4.676 797 H VAL 103 HN VAL 103 -15.318 -6.872 -2.780 798 HA VAL 103 HA VAL 103 -14.107 -5.024 -4.712 799 HB VAL 103 HB VAL 103 -16.200 -4.473 -2.596 800 1HG1 VAL 103 HG11 VAL 103 -16.620 -2.421 -3.826 801 2HG1 VAL 103 HG12 VAL 103 -15.350 -2.835 -4.981 802 3HG1 VAL 103 HG13 VAL 103 -14.940 -2.498 -3.298 803 1HG2 VAL 103 HG21 VAL 103 -16.530 -5.085 -5.531 804 2HG2 VAL 103 HG22 VAL 103 -17.808 -4.467 -4.484 805 3HG2 VAL 103 HG23 VAL 103 -17.102 -6.054 -4.171 806 H VAL 104 HN VAL 104 -12.366 -3.846 -4.129 807 HA VAL 104 HA VAL 104 -11.248 -4.097 -1.494 808 HB VAL 104 HB VAL 104 -10.371 -2.202 -3.688 809 1HG1 VAL 104 HG11 VAL 104 -8.888 -3.365 -1.331 810 2HG1 VAL 104 HG12 VAL 104 -9.441 -1.698 -1.500 811 3HG1 VAL 104 HG13 VAL 104 -8.191 -2.325 -2.576 812 1HG2 VAL 104 HG21 VAL 104 -9.486 -5.043 -3.174 813 2HG2 VAL 104 HG22 VAL 104 -8.775 -3.940 -4.352 814 3HG2 VAL 104 HG23 VAL 104 -10.440 -4.487 -4.549 815 H GLN 105 HN GLN 105 -11.703 -2.845 0.199 816 HA GLN 105 HA GLN 105 -12.814 -0.164 -0.318 817 1HB GLN 105 HB2 GLN 105 -13.380 -2.058 1.962 818 2HB GLN 105 HB1 GLN 105 -13.889 -0.375 1.939 819 1HG GLN 105 HG2 GLN 105 -15.112 -0.905 -0.198 820 2HG GLN 105 HG1 GLN 105 -14.781 -2.605 0.140 821 1HE2 GLN 105 HE21 GLN 105 -17.312 -1.165 -0.018 822 2HE2 GLN 105 HE22 GLN 105 -18.088 -1.392 1.515 823 H LEU 106 HN LEU 106 -11.922 1.542 0.682 824 HA LEU 106 HA LEU 106 -9.701 1.010 2.548 825 1HB LEU 106 HB2 LEU 106 -10.003 3.313 0.615 826 2HB LEU 106 HB1 LEU 106 -8.693 3.115 1.760 827 HG LEU 106 HG LEU 106 -9.267 1.367 -0.632 828 1HD1 LEU 106 HD11 LEU 106 -7.103 2.216 -1.410 829 2HD1 LEU 106 HD12 LEU 106 -7.008 3.259 0.010 830 3HD1 LEU 106 HD13 LEU 106 -8.278 3.513 -1.188 831 1HD2 LEU 106 HD21 LEU 106 -7.226 0.173 -0.038 832 2HD2 LEU 106 HD22 LEU 106 -8.438 0.028 1.236 833 3HD2 LEU 106 HD23 LEU 106 -7.080 1.136 1.432 834 H ARG 107 HN ARG 107 -9.612 2.178 4.415 835 HA ARG 107 HA ARG 107 -11.678 4.245 4.811 836 1HB ARG 107 HB2 ARG 107 -12.277 2.298 6.140 837 2HB ARG 107 HB1 ARG 107 -10.663 2.239 6.836 838 1HG ARG 107 HG2 ARG 107 -11.041 4.368 7.944 839 2HG ARG 107 HG1 ARG 107 -12.641 4.478 7.210 840 1HD ARG 107 HD2 ARG 107 -12.797 3.709 9.512 841 2HD ARG 107 HD1 ARG 107 -13.324 2.452 8.394 842 HE ARG 107 HE ARG 107 -11.151 1.378 8.763 843 1HH1 ARG 107 HH11 ARG 107 -12.193 3.783 11.083 844 2HH1 ARG 107 HH12 ARG 107 -11.250 3.120 12.382 845 1HH2 ARG 107 HH21 ARG 107 -9.923 0.496 10.509 846 2HH2 ARG 107 HH22 ARG 107 -9.988 1.268 12.062 847 H GLY 108 HN GLY 108 -10.696 6.130 4.814 848 1HA GLY 108 HA2 GLY 108 -8.223 6.421 6.397 849 2HA GLY 108 HA1 GLY 108 -8.397 7.181 4.820 850 H GLY 109 HN GLY 109 -9.563 7.143 8.118 851 1HA GLY 109 HA2 GLY 109 -9.804 9.575 8.929 852 2HA GLY 109 HA1 GLY 109 -11.014 9.658 7.652 853 H SER 110 HN SER 110 -12.898 9.819 8.741 854 HA SER 110 HA SER 110 -13.604 7.553 10.461 855 1HB SER 110 HB2 SER 110 -14.171 10.463 11.087 856 2HB SER 110 HB1 SER 110 -14.829 9.094 11.979 857 HG SER 110 HG SER 110 -12.616 10.305 12.495
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