NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20135 | 2f3w | 6908 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1HT ALA 1 12.211 23.584 -18.411 2 2H ALA 1 2HT ALA 1 13.382 22.546 -17.705 3 3H ALA 1 3HT ALA 1 11.796 21.968 -18.014 4 HA ALA 1 HA ALA 1 12.290 22.575 -20.409 5 1HB ALA 1 1HB ALA 1 14.623 22.449 -21.022 6 2HB ALA 1 2HB ALA 1 15.087 22.245 -19.333 7 3HB ALA 1 3HB ALA 1 14.381 23.768 -19.877 8 H THR 2 H THR 2 14.448 20.497 -18.472 9 HA THR 2 HA THR 2 13.010 18.153 -19.496 10 HB THR 2 HB THR 2 14.888 18.292 -20.956 11 HG1 THR 2 1HG THR 2 15.739 16.348 -20.580 12 1HG2 THR 2 1HG2 THR 2 16.701 18.493 -18.568 13 2HG2 THR 2 2HG2 THR 2 16.263 19.844 -19.614 14 3HG2 THR 2 3HG2 THR 2 17.171 18.480 -20.268 15 H SER 3 H SER 3 12.643 16.622 -18.007 16 HA SER 3 HA SER 3 13.834 17.010 -15.352 17 1HB SER 3 2HB SER 3 11.209 15.981 -16.315 18 2HB SER 3 1HB SER 3 11.859 15.292 -14.827 19 HG SER 3 HG SER 3 12.014 17.430 -14.010 20 H THR 4 H THR 4 14.573 15.205 -14.146 21 HA THR 4 HA THR 4 15.649 13.082 -15.844 22 HB THR 4 HB THR 4 16.794 12.624 -13.446 23 HG1 THR 4 1HG THR 4 16.438 15.432 -13.500 24 1HG2 THR 4 1HG2 THR 4 17.726 13.485 -15.804 25 2HG2 THR 4 2HG2 THR 4 18.707 13.385 -14.341 26 3HG2 THR 4 3HG2 THR 4 17.999 14.926 -14.824 27 H LYS 5 H LYS 5 14.969 11.031 -15.752 28 HA LYS 5 HA LYS 5 13.141 10.286 -13.563 29 1HB LYS 5 2HB LYS 5 12.892 10.022 -16.485 30 2HB LYS 5 1HB LYS 5 12.475 8.572 -15.582 31 1HG LYS 5 2HG LYS 5 10.702 9.595 -14.502 32 2HG LYS 5 1HG LYS 5 11.329 11.217 -14.798 33 1HD LYS 5 2HD LYS 5 10.540 11.278 -16.952 34 2HD LYS 5 1HD LYS 5 10.608 9.525 -17.139 35 1HE LYS 5 2HE LYS 5 8.750 9.735 -15.194 36 2HE LYS 5 1HE LYS 5 8.465 11.240 -16.065 37 1HZ LYS 5 1HZ LYS 5 8.321 9.879 -18.125 38 2HZ LYS 5 2HZ LYS 5 7.087 9.575 -17.011 39 3HZ LYS 5 3HZ LYS 5 8.373 8.487 -17.164 40 H LYS 6 H LYS 6 14.438 9.142 -12.232 41 HA LYS 6 HA LYS 6 15.776 6.786 -13.386 42 1HB LYS 6 2HB LYS 6 17.454 7.077 -11.476 43 2HB LYS 6 1HB LYS 6 17.582 8.185 -12.834 44 1HG LYS 6 2HG LYS 6 16.242 9.827 -11.489 45 2HG LYS 6 1HG LYS 6 16.427 8.735 -10.115 46 1HD LYS 6 2HD LYS 6 18.736 9.059 -10.016 47 2HD LYS 6 1HD LYS 6 18.812 9.683 -11.665 48 1HE LYS 6 2HE LYS 6 17.159 11.491 -10.507 49 2HE LYS 6 1HE LYS 6 18.189 11.060 -9.142 50 1HZ LYS 6 1HZ LYS 6 20.128 11.570 -10.532 51 2HZ LYS 6 2HZ LYS 6 19.125 12.916 -10.325 52 3HZ LYS 6 3HZ LYS 6 19.101 12.062 -11.784 53 H LEU 7 H LEU 7 15.583 4.884 -12.265 54 HA LEU 7 HA LEU 7 13.946 4.967 -9.816 55 1HB LEU 7 2HB LEU 7 13.860 2.750 -11.851 56 2HB LEU 7 1HB LEU 7 12.770 3.017 -10.504 57 HG LEU 7 HG LEU 7 12.976 4.736 -12.977 58 1HD1 LEU 7 1HD1 LEU 7 11.256 2.470 -12.177 59 2HD1 LEU 7 2HD1 LEU 7 11.775 2.995 -13.779 60 3HD1 LEU 7 3HD1 LEU 7 10.461 3.837 -12.958 61 1HD2 LEU 7 1HD2 LEU 7 10.913 4.936 -10.804 62 2HD2 LEU 7 2HD2 LEU 7 11.254 6.073 -12.108 63 3HD2 LEU 7 3HD2 LEU 7 12.399 5.886 -10.780 64 H HIS 8 H HIS 8 14.984 4.201 -8.110 65 HA HIS 8 HA HIS 8 17.162 2.268 -8.529 66 1HB HIS 8 2HB HIS 8 17.673 4.523 -7.460 67 2HB HIS 8 1HB HIS 8 16.743 3.969 -6.071 68 HD1 HIS 8 1HD HIS 8 17.700 1.326 -5.377 69 HD2 HIS 8 2HD HIS 8 20.293 4.150 -6.979 70 HE1 HIS 8 1HE HIS 8 20.005 0.580 -4.703 71 HE2 HIS 8 2HE HIS 8 21.549 2.356 -5.603 72 H LYS 9 H LYS 9 16.793 0.248 -7.923 73 HA LYS 9 HA LYS 9 14.438 -0.433 -6.420 74 1HB LYS 9 2HB LYS 9 16.627 -2.010 -7.736 75 2HB LYS 9 1HB LYS 9 15.477 -2.798 -6.664 76 1HG LYS 9 2HG LYS 9 13.674 -2.357 -8.080 77 2HG LYS 9 1HG LYS 9 14.562 -1.118 -8.970 78 1HD LYS 9 2HD LYS 9 14.623 -2.901 -10.441 79 2HD LYS 9 1HD LYS 9 16.155 -3.081 -9.586 80 1HE LYS 9 2HE LYS 9 14.368 -4.495 -8.024 81 2HE LYS 9 1HE LYS 9 13.844 -4.845 -9.671 82 1HZ LYS 9 1HZ LYS 9 16.275 -5.624 -8.295 83 2HZ LYS 9 2HZ LYS 9 16.481 -5.145 -9.903 84 3HZ LYS 9 3HZ LYS 9 15.427 -6.414 -9.528 85 H GLU 10 H GLU 10 14.399 -0.217 -4.290 86 HA GLU 10 HA GLU 10 16.719 -1.164 -2.746 87 1HB GLU 10 2HB GLU 10 16.137 1.441 -2.887 88 2HB GLU 10 1HB GLU 10 15.023 0.996 -1.602 89 1HG GLU 10 2HG GLU 10 16.730 1.323 -0.221 90 2HG GLU 10 1HG GLU 10 17.356 -0.212 -0.820 91 HA PRO 11 HA PRO 11 13.756 -3.971 -0.970 92 1HB PRO 11 2HB PRO 11 15.555 -3.801 1.396 93 2HB PRO 11 1HB PRO 11 14.971 -5.223 0.525 94 1HG PRO 11 2HG PRO 11 17.478 -4.381 0.222 95 2HG PRO 11 1HG PRO 11 16.555 -5.009 -1.155 96 1HD PRO 11 2HD PRO 11 17.223 -2.185 -0.447 97 2HD PRO 11 1HD PRO 11 17.126 -2.958 -2.044 98 H ALA 12 H ALA 12 11.868 -3.288 -0.229 99 HA ALA 12 HA ALA 12 11.748 -1.805 2.278 100 1HB ALA 12 1HB ALA 12 11.748 -0.150 0.375 101 2HB ALA 12 2HB ALA 12 10.361 -0.063 1.461 102 3HB ALA 12 3HB ALA 12 10.200 -0.837 -0.115 103 H THR 13 H THR 13 10.594 -3.205 3.466 104 HA THR 13 HA THR 13 8.082 -4.224 2.309 105 HB THR 13 HB THR 13 9.481 -6.122 2.432 106 HG1 THR 13 1HG THR 13 8.352 -7.366 3.801 107 1HG2 THR 13 1HG2 THR 13 10.233 -5.353 5.241 108 2HG2 THR 13 2HG2 THR 13 11.270 -5.202 3.822 109 3HG2 THR 13 3HG2 THR 13 10.754 -6.796 4.373 110 H LEU 14 H LEU 14 6.279 -4.190 3.591 111 HA LEU 14 HA LEU 14 6.203 -2.324 5.719 112 1HB LEU 14 2HB LEU 14 4.210 -4.327 4.679 113 2HB LEU 14 1HB LEU 14 3.854 -3.272 6.033 114 HG LEU 14 HG LEU 14 4.704 -1.471 4.168 115 1HD1 LEU 14 1HD1 LEU 14 4.741 -3.467 2.553 116 2HD1 LEU 14 2HD1 LEU 14 3.930 -1.989 2.035 117 3HD1 LEU 14 3HD1 LEU 14 2.981 -3.361 2.608 118 1HD2 LEU 14 1HD2 LEU 14 2.141 -2.396 5.243 119 2HD2 LEU 14 2HD2 LEU 14 2.021 -1.531 3.712 120 3HD2 LEU 14 3HD2 LEU 14 2.791 -0.763 5.099 121 H ILE 15 H ILE 15 5.972 -2.614 7.925 122 HA ILE 15 HA ILE 15 7.022 -5.117 8.957 123 HB ILE 15 HB ILE 15 6.961 -3.920 11.166 124 1HG1 ILE 15 2HG1 ILE 15 6.660 -1.317 9.792 125 2HG1 ILE 15 1HG1 ILE 15 5.180 -2.251 9.986 126 1HG2 ILE 15 1HG2 ILE 15 8.489 -2.129 9.390 127 2HG2 ILE 15 2HG2 ILE 15 8.804 -3.855 9.215 128 3HG2 ILE 15 3HG2 ILE 15 9.018 -3.075 10.781 129 1HD1 ILE 15 1HD1 ILE 15 5.580 -2.368 12.395 130 2HD1 ILE 15 2HD1 ILE 15 5.476 -0.703 11.822 131 3HD1 ILE 15 3HD1 ILE 15 7.048 -1.413 12.191 132 H LYS 16 H LYS 16 4.012 -3.378 8.817 133 HA LYS 16 HA LYS 16 2.509 -5.663 9.589 134 1HB LYS 16 2HB LYS 16 3.317 -4.832 11.816 135 2HB LYS 16 1HB LYS 16 2.431 -3.341 11.521 136 1HG LYS 16 2HG LYS 16 0.528 -5.274 11.093 137 2HG LYS 16 1HG LYS 16 1.479 -5.938 12.423 138 1HD LYS 16 2HD LYS 16 1.074 -4.045 13.783 139 2HD LYS 16 1HD LYS 16 0.444 -3.112 12.423 140 1HE LYS 16 2HE LYS 16 -1.582 -3.739 13.117 141 2HE LYS 16 1HE LYS 16 -1.186 -5.333 12.477 142 1HZ LYS 16 1HZ LYS 16 -1.646 -5.957 14.572 143 2HZ LYS 16 2HZ LYS 16 -1.342 -4.428 15.229 144 3HZ LYS 16 3HZ LYS 16 -0.056 -5.468 14.880 145 H ALA 17 H ALA 17 1.374 -5.308 7.710 146 HA ALA 17 HA ALA 17 0.007 -2.738 7.388 147 1HB ALA 17 1HB ALA 17 1.281 -4.381 5.574 148 2HB ALA 17 2HB ALA 17 0.202 -3.040 5.188 149 3HB ALA 17 3HB ALA 17 -0.430 -4.683 5.274 150 H ILE 18 H ILE 18 -1.962 -2.556 8.203 151 HA ILE 18 HA ILE 18 -3.552 -4.875 8.846 152 HB ILE 18 HB ILE 18 -4.364 -1.972 9.030 153 1HG1 ILE 18 2HG1 ILE 18 -3.362 -3.564 11.363 154 2HG1 ILE 18 1HG1 ILE 18 -2.204 -2.800 10.280 155 1HG2 ILE 18 1HG2 ILE 18 -5.382 -3.990 10.920 156 2HG2 ILE 18 2HG2 ILE 18 -5.940 -4.143 9.254 157 3HG2 ILE 18 3HG2 ILE 18 -6.209 -2.642 10.140 158 1HD1 ILE 18 1HD1 ILE 18 -2.790 -0.689 10.923 159 2HD1 ILE 18 2HD1 ILE 18 -3.063 -1.576 12.423 160 3HD1 ILE 18 3HD1 ILE 18 -4.425 -1.163 11.382 161 H ASP 19 H ASP 19 -3.476 -2.397 6.385 162 HA ASP 19 HA ASP 19 -4.528 -2.204 4.379 163 1HB ASP 19 2HB ASP 19 -5.670 -4.947 4.945 164 2HB ASP 19 1HB ASP 19 -5.595 -4.143 3.381 165 H GLY 20 H GLY 20 -6.857 -4.040 6.373 166 1HA GLY 20 2HA GLY 20 -9.144 -2.731 5.490 167 2HA GLY 20 1HA GLY 20 -8.991 -3.530 7.047 168 H ASP 21 H ASP 21 -6.719 -1.621 7.697 169 HA ASP 21 HA ASP 21 -8.387 0.735 8.288 170 1HB ASP 21 2HB ASP 21 -6.357 -0.652 10.044 171 2HB ASP 21 1HB ASP 21 -7.008 0.946 10.396 172 H THR 22 H THR 22 -4.942 0.060 8.830 173 HA THR 22 HA THR 22 -4.205 2.018 6.799 174 HB THR 22 HB THR 22 -3.003 2.322 9.529 175 HG1 THR 22 1HG THR 22 -4.737 3.205 10.275 176 1HG2 THR 22 1HG2 THR 22 -2.820 4.687 8.807 177 2HG2 THR 22 2HG2 THR 22 -3.429 4.203 7.224 178 3HG2 THR 22 3HG2 THR 22 -1.899 3.557 7.815 179 H VAL 23 H VAL 23 -1.894 2.026 6.333 180 HA VAL 23 HA VAL 23 -0.473 -0.373 7.258 181 HB VAL 23 HB VAL 23 0.372 -0.723 4.934 182 1HG1 VAL 23 1HG1 VAL 23 -1.477 -2.052 5.922 183 2HG1 VAL 23 2HG1 VAL 23 -1.563 -1.923 4.164 184 3HG1 VAL 23 3HG1 VAL 23 -2.624 -0.940 5.174 185 1HG2 VAL 23 1HG2 VAL 23 -0.013 1.415 3.951 186 2HG2 VAL 23 2HG2 VAL 23 -1.740 1.326 4.294 187 3HG2 VAL 23 3HG2 VAL 23 -1.022 0.249 3.096 188 H LYS 24 H LYS 24 1.785 -0.229 7.262 189 HA LYS 24 HA LYS 24 2.926 2.396 6.600 190 1HB LYS 24 2HB LYS 24 2.414 1.726 9.164 191 2HB LYS 24 1HB LYS 24 4.021 1.035 8.990 192 1HG LYS 24 2HG LYS 24 4.907 3.032 9.320 193 2HG LYS 24 1HG LYS 24 4.098 3.627 7.869 194 1HD LYS 24 2HD LYS 24 2.031 3.767 9.512 195 2HD LYS 24 1HD LYS 24 3.307 3.869 10.727 196 1HE LYS 24 2HE LYS 24 4.104 5.612 8.705 197 2HE LYS 24 1HE LYS 24 2.366 5.869 8.861 198 1HZ LYS 24 1HZ LYS 24 4.279 5.931 11.131 199 2HZ LYS 24 2HZ LYS 24 2.633 6.315 11.185 200 3HZ LYS 24 3HZ LYS 24 3.704 7.304 10.327 201 H LEU 25 H LEU 25 4.814 2.320 5.538 202 HA LEU 25 HA LEU 25 6.004 -0.317 5.079 203 1HB LEU 25 2HB LEU 25 5.901 2.235 3.554 204 2HB LEU 25 1HB LEU 25 7.315 1.217 3.339 205 HG LEU 25 HG LEU 25 4.557 0.083 3.011 206 1HD1 LEU 25 1HD1 LEU 25 5.739 2.136 1.397 207 2HD1 LEU 25 2HD1 LEU 25 4.174 1.343 1.227 208 3HD1 LEU 25 3HD1 LEU 25 5.603 0.643 0.468 209 1HD2 LEU 25 1HD2 LEU 25 7.268 -0.622 1.892 210 2HD2 LEU 25 2HD2 LEU 25 5.762 -1.453 1.507 211 3HD2 LEU 25 3HD2 LEU 25 6.393 -1.491 3.153 212 H MET 26 H MET 26 8.367 -0.473 4.959 213 HA MET 26 HA MET 26 9.653 1.278 6.948 214 1HB MET 26 2HB MET 26 9.373 -1.146 7.566 215 2HB MET 26 1HB MET 26 10.452 -1.547 6.237 216 1HG MET 26 2HG MET 26 12.272 -0.424 7.269 217 2HG MET 26 1HG MET 26 11.219 0.284 8.492 218 1HE MET 26 1HE MET 26 12.953 -1.799 10.967 219 2HE MET 26 2HE MET 26 11.382 -1.008 11.095 220 3HE MET 26 3HE MET 26 12.691 -0.233 10.201 221 H TYR 27 H TYR 27 10.520 2.814 5.599 222 HA TYR 27 HA TYR 27 12.523 1.845 3.668 223 1HB TYR 27 2HB TYR 27 10.594 2.869 2.529 224 2HB TYR 27 1HB TYR 27 10.834 4.347 3.454 225 HD1 TYR 27 1HD TYR 27 13.260 2.134 1.674 226 HD2 TYR 27 2HD TYR 27 11.503 5.996 1.976 227 HE1 TYR 27 1HE TYR 27 14.796 2.962 -0.058 228 HE2 TYR 27 2HE TYR 27 13.032 6.835 0.243 229 HH TYR 27 HH TYR 27 14.360 5.834 -1.683 230 H LYS 28 H LYS 28 14.458 2.155 4.553 231 HA LYS 28 HA LYS 28 16.217 3.108 5.638 232 1HB LYS 28 2HB LYS 28 15.010 5.754 4.847 233 2HB LYS 28 1HB LYS 28 16.709 5.373 5.093 234 1HG LYS 28 2HG LYS 28 15.665 3.650 3.076 235 2HG LYS 28 1HG LYS 28 15.229 5.316 2.692 236 1HD LYS 28 2HD LYS 28 17.396 5.960 2.400 237 2HD LYS 28 1HD LYS 28 18.013 4.804 3.580 238 1HE LYS 28 2HE LYS 28 18.742 3.711 1.750 239 2HE LYS 28 1HE LYS 28 17.083 3.121 1.686 240 1HZ LYS 28 1HZ LYS 28 17.424 3.899 -0.438 241 2HZ LYS 28 2HZ LYS 28 18.366 5.212 0.062 242 3HZ LYS 28 3HZ LYS 28 16.691 5.239 0.290 243 H GLY 29 H GLY 29 13.741 2.654 7.161 244 1HA GLY 29 2HA GLY 29 13.318 2.881 9.440 245 2HA GLY 29 1HA GLY 29 14.494 4.185 9.502 246 H GLN 30 H GLN 30 12.616 5.009 6.978 247 HA GLN 30 HA GLN 30 11.113 6.899 8.575 248 1HB GLN 30 2HB GLN 30 12.321 7.549 6.480 249 2HB GLN 30 1HB GLN 30 11.164 6.587 5.571 250 1HG GLN 30 2HG GLN 30 10.466 8.841 5.432 251 2HG GLN 30 1HG GLN 30 9.351 8.018 6.522 252 1HE2 GLN 30 1HE2 GLN 30 9.555 10.748 6.510 253 2HE2 GLN 30 2HE2 GLN 30 10.279 11.285 7.984 254 HA PRO 31 HA PRO 31 7.464 4.325 8.424 255 1HB PRO 31 2HB PRO 31 5.786 5.973 9.728 256 2HB PRO 31 1HB PRO 31 7.087 5.113 10.562 257 1HG PRO 31 2HG PRO 31 6.990 7.953 9.624 258 2HG PRO 31 1HG PRO 31 7.603 7.301 11.154 259 1HD PRO 31 2HD PRO 31 9.209 7.976 9.048 260 2HD PRO 31 1HD PRO 31 9.628 6.731 10.241 261 H MET 32 H MET 32 7.355 4.588 6.060 262 HA MET 32 HA MET 32 5.690 6.765 5.079 263 1HB MET 32 2HB MET 32 7.786 5.637 3.927 264 2HB MET 32 1HB MET 32 6.578 4.500 3.345 265 1HG MET 32 2HG MET 32 5.808 5.932 1.833 266 2HG MET 32 1HG MET 32 5.751 7.256 2.995 267 1HE MET 32 1HE MET 32 7.696 7.914 -0.473 268 2HE MET 32 2HE MET 32 6.899 9.062 0.602 269 3HE MET 32 3HE MET 32 6.099 7.549 0.178 270 H THR 33 H THR 33 3.560 6.565 5.311 271 HA THR 33 HA THR 33 2.327 3.944 5.444 272 HB THR 33 HB THR 33 1.625 5.699 7.009 273 HG1 THR 33 1HG THR 33 -0.420 5.041 5.160 274 1HG2 THR 33 1HG2 THR 33 0.521 7.140 4.611 275 2HG2 THR 33 2HG2 THR 33 1.910 7.658 5.568 276 3HG2 THR 33 3HG2 THR 33 0.308 7.591 6.303 277 H PHE 34 H PHE 34 0.532 3.320 4.128 278 HA PHE 34 HA PHE 34 0.493 4.615 1.483 279 1HB PHE 34 2HB PHE 34 1.688 2.394 1.535 280 2HB PHE 34 1HB PHE 34 0.152 1.653 1.969 281 HD1 PHE 34 1HD PHE 34 -1.784 1.866 0.369 282 HD2 PHE 34 2HD PHE 34 2.214 2.860 -0.694 283 HE1 PHE 34 1HE PHE 34 -2.380 1.695 -2.012 284 HE2 PHE 34 2HE PHE 34 1.626 2.692 -3.078 285 HZ PHE 34 HZ PHE 34 -0.673 2.109 -3.739 286 H ARG 35 H ARG 35 -1.371 5.763 1.702 287 HA ARG 35 HA ARG 35 -3.610 6.164 1.647 288 1HB ARG 35 2HB ARG 35 -3.411 3.838 0.335 289 2HB ARG 35 1HB ARG 35 -4.345 3.285 1.718 290 1HG ARG 35 2HG ARG 35 -6.122 3.911 0.527 291 2HG ARG 35 1HG ARG 35 -5.686 5.552 1.010 292 1HD ARG 35 2HD ARG 35 -4.847 4.152 -1.527 293 2HD ARG 35 1HD ARG 35 -6.055 5.428 -1.393 294 HE ARG 35 HE ARG 35 -3.197 5.738 -1.413 295 1HH1 ARG 35 1HH1 ARG 35 -6.226 7.172 -0.437 296 2HH1 ARG 35 2HH1 ARG 35 -5.593 8.783 -0.395 297 1HH2 ARG 35 1HH2 ARG 35 -2.363 7.856 -1.357 298 2HH2 ARG 35 2HH2 ARG 35 -3.400 9.172 -0.919 299 H LEU 36 H LEU 36 -4.682 6.875 3.355 300 HA LEU 36 HA LEU 36 -4.767 5.183 5.767 301 1HB LEU 36 2HB LEU 36 -4.719 8.190 5.519 302 2HB LEU 36 1HB LEU 36 -5.005 7.334 7.023 303 HG LEU 36 HG LEU 36 -2.741 6.252 6.714 304 1HD1 LEU 36 1HD1 LEU 36 -2.848 7.956 4.319 305 2HD1 LEU 36 2HD1 LEU 36 -1.947 6.470 4.621 306 3HD1 LEU 36 3HD1 LEU 36 -1.336 8.010 5.225 307 1HD2 LEU 36 1HD2 LEU 36 -3.023 9.223 7.095 308 2HD2 LEU 36 2HD2 LEU 36 -1.516 8.352 7.384 309 3HD2 LEU 36 3HD2 LEU 36 -2.953 7.967 8.332 310 H LEU 37 H LEU 37 -6.651 5.877 7.256 311 HA LEU 37 HA LEU 37 -9.054 5.220 6.040 312 1HB LEU 37 2HB LEU 37 -8.170 6.073 8.663 313 2HB LEU 37 1HB LEU 37 -9.752 6.729 8.287 314 HG LEU 37 HG LEU 37 -10.450 4.351 7.705 315 1HD1 LEU 37 1HD1 LEU 37 -8.985 2.711 9.129 316 2HD1 LEU 37 2HD1 LEU 37 -7.716 3.891 8.796 317 3HD1 LEU 37 3HD1 LEU 37 -8.550 3.092 7.462 318 1HD2 LEU 37 1HD2 LEU 37 -11.165 5.465 9.742 319 2HD2 LEU 37 2HD2 LEU 37 -9.663 5.004 10.543 320 3HD2 LEU 37 3HD2 LEU 37 -10.820 3.765 10.058 321 H LEU 38 H LEU 38 -9.761 6.377 4.331 322 HA LEU 38 HA LEU 38 -9.569 9.167 4.043 323 1HB LEU 38 2HB LEU 38 -10.336 7.054 2.448 324 2HB LEU 38 1HB LEU 38 -11.834 7.940 2.658 325 HG LEU 38 HG LEU 38 -10.724 9.985 1.824 326 1HD1 LEU 38 1HD1 LEU 38 -8.485 9.932 2.140 327 2HD1 LEU 38 2HD1 LEU 38 -8.509 9.276 0.503 328 3HD1 LEU 38 3HD1 LEU 38 -8.377 8.191 1.887 329 1HD2 LEU 38 1HD2 LEU 38 -11.890 8.988 0.122 330 2HD2 LEU 38 2HD2 LEU 38 -10.941 7.502 0.194 331 3HD2 LEU 38 3HD2 LEU 38 -10.259 8.950 -0.548 332 H VAL 39 H VAL 39 -12.013 10.136 3.342 333 HA VAL 39 HA VAL 39 -13.132 10.831 5.852 334 HB VAL 39 HB VAL 39 -14.397 11.263 3.145 335 1HG1 VAL 39 1HG1 VAL 39 -14.653 12.740 5.763 336 2HG1 VAL 39 2HG1 VAL 39 -15.877 11.715 5.012 337 3HG1 VAL 39 3HG1 VAL 39 -15.397 13.227 4.240 338 1HG2 VAL 39 1HG2 VAL 39 -12.035 12.506 4.406 339 2HG2 VAL 39 2HG2 VAL 39 -13.200 13.611 3.675 340 3HG2 VAL 39 3HG2 VAL 39 -12.459 12.341 2.702 341 H ASP 40 H ASP 40 -15.277 10.461 6.614 342 HA ASP 40 HA ASP 40 -16.138 7.751 6.249 343 1HB ASP 40 2HB ASP 40 -16.216 8.932 8.444 344 2HB ASP 40 1HB ASP 40 -17.486 9.970 7.803 345 H THR 41 H THR 41 -17.482 7.049 4.737 346 HA THR 41 HA THR 41 -19.168 8.980 3.324 347 HB THR 41 HB THR 41 -19.483 6.706 1.909 348 HG1 THR 41 1HG THR 41 -16.843 6.537 2.918 349 1HG2 THR 41 1HG2 THR 41 -18.726 8.355 0.575 350 2HG2 THR 41 2HG2 THR 41 -17.211 7.470 0.756 351 3HG2 THR 41 3HG2 THR 41 -17.520 8.900 1.740 352 HA PRO 42 HA PRO 42 -22.523 7.280 5.832 353 1HB PRO 42 2HB PRO 42 -24.429 8.998 4.922 354 2HB PRO 42 1HB PRO 42 -23.257 9.427 6.173 355 1HG PRO 42 2HG PRO 42 -23.215 10.049 3.245 356 2HG PRO 42 1HG PRO 42 -22.822 11.101 4.619 357 1HD PRO 42 2HD PRO 42 -20.915 9.907 3.128 358 2HD PRO 42 1HD PRO 42 -20.711 10.201 4.867 359 H GLU 43 H GLU 43 -22.449 7.780 2.370 360 HA GLU 43 HA GLU 43 -24.519 5.706 2.058 361 1HB GLU 43 2HB GLU 43 -25.030 6.688 -0.127 362 2HB GLU 43 1HB GLU 43 -25.233 7.868 1.160 363 1HG GLU 43 2HG GLU 43 -23.068 8.849 0.610 364 2HG GLU 43 1HG GLU 43 -22.855 7.659 -0.673 365 H THR 44 H THR 44 -21.982 4.852 2.545 366 HA THR 44 HA THR 44 -21.411 3.358 0.166 367 HB THR 44 HB THR 44 -19.057 4.907 1.165 368 HG1 THR 44 1HG THR 44 -20.813 5.859 -0.842 369 1HG2 THR 44 1HG2 THR 44 -18.878 3.027 -0.510 370 2HG2 THR 44 2HG2 THR 44 -18.152 4.567 -0.969 371 3HG2 THR 44 3HG2 THR 44 -19.711 4.090 -1.642 372 H LYS 45 H LYS 45 -20.219 4.362 3.352 373 HA LYS 45 HA LYS 45 -18.632 2.133 3.905 374 1HB LYS 45 2HB LYS 45 -19.176 4.431 5.212 375 2HB LYS 45 1HB LYS 45 -20.133 3.310 6.170 376 1HG LYS 45 2HG LYS 45 -18.048 1.902 6.377 377 2HG LYS 45 1HG LYS 45 -17.170 3.268 5.685 378 1HD LYS 45 2HD LYS 45 -17.890 4.694 7.506 379 2HD LYS 45 1HD LYS 45 -18.873 3.388 8.173 380 1HE LYS 45 2HE LYS 45 -16.454 2.180 8.013 381 2HE LYS 45 1HE LYS 45 -15.969 3.846 8.323 382 1HZ LYS 45 1HZ LYS 45 -16.256 3.168 10.444 383 2HZ LYS 45 2HZ LYS 45 -17.383 1.971 10.048 384 3HZ LYS 45 3HZ LYS 45 -17.866 3.590 10.137 385 H HIS 46 H HIS 46 -19.526 0.181 3.385 386 HA HIS 46 HA HIS 46 -22.019 -0.567 4.755 387 1HB HIS 46 2HB HIS 46 -20.977 -1.088 2.095 388 2HB HIS 46 1HB HIS 46 -21.408 -2.582 2.920 389 HD1 HIS 46 1HD HIS 46 -23.895 -3.024 3.351 390 HD2 HIS 46 2HD HIS 46 -23.140 0.638 1.535 391 HE1 HIS 46 1HE HIS 46 -26.136 -2.177 2.587 392 HE2 HIS 46 2HE HIS 46 -25.643 -0.002 1.416 393 HA PRO 47 HA PRO 47 -19.730 -3.321 7.343 394 1HB PRO 47 2HB PRO 47 -21.666 -5.085 8.019 395 2HB PRO 47 1HB PRO 47 -21.631 -3.430 8.637 396 1HG PRO 47 2HG PRO 47 -23.245 -4.580 6.394 397 2HG PRO 47 1HG PRO 47 -23.747 -3.460 7.674 398 1HD PRO 47 2HD PRO 47 -23.131 -2.646 5.156 399 2HD PRO 47 1HD PRO 47 -22.873 -1.629 6.588 400 H LYS 48 H LYS 48 -21.638 -4.674 4.703 401 HA LYS 48 HA LYS 48 -20.534 -7.273 4.757 402 1HB LYS 48 2HB LYS 48 -21.893 -5.673 2.594 403 2HB LYS 48 1HB LYS 48 -21.326 -7.316 2.326 404 1HG LYS 48 2HG LYS 48 -23.309 -6.496 4.439 405 2HG LYS 48 1HG LYS 48 -23.718 -7.205 2.875 406 1HD LYS 48 2HD LYS 48 -23.569 -9.196 3.872 407 2HD LYS 48 1HD LYS 48 -21.824 -8.937 3.923 408 1HE LYS 48 2HE LYS 48 -21.874 -8.208 6.132 409 2HE LYS 48 1HE LYS 48 -23.597 -7.837 6.072 410 1HZ LYS 48 1HZ LYS 48 -22.683 -9.990 7.248 411 2HZ LYS 48 2HZ LYS 48 -22.791 -10.621 5.682 412 3HZ LYS 48 3HZ LYS 48 -24.168 -9.990 6.436 413 H LYS 49 H LYS 49 -19.821 -4.518 2.605 414 HA LYS 49 HA LYS 49 -17.438 -5.823 1.615 415 1HB LYS 49 2HB LYS 49 -18.283 -2.978 1.089 416 2HB LYS 49 1HB LYS 49 -17.254 -4.000 0.096 417 1HG LYS 49 2HG LYS 49 -19.004 -4.721 -1.050 418 2HG LYS 49 1HG LYS 49 -19.801 -5.259 0.429 419 1HD LYS 49 2HD LYS 49 -21.337 -3.702 -0.078 420 2HD LYS 49 1HD LYS 49 -20.155 -2.558 0.559 421 1HE LYS 49 2HE LYS 49 -19.442 -1.921 -1.556 422 2HE LYS 49 1HE LYS 49 -20.056 -3.391 -2.312 423 1HZ LYS 49 1HZ LYS 49 -21.784 -1.269 -1.162 424 2HZ LYS 49 2HZ LYS 49 -22.284 -2.607 -2.066 425 3HZ LYS 49 3HZ LYS 49 -21.383 -1.379 -2.802 426 H GLY 50 H GLY 50 -18.283 -3.241 3.814 427 1HA GLY 50 2HA GLY 50 -17.053 -2.282 5.508 428 2HA GLY 50 1HA GLY 50 -15.749 -3.393 5.127 429 H VAL 51 H VAL 51 -15.044 -2.721 2.559 430 HA VAL 51 HA VAL 51 -14.512 0.158 2.722 431 HB VAL 51 HB VAL 51 -12.226 -0.088 2.068 432 1HG1 VAL 51 1HG1 VAL 51 -11.363 -0.856 4.061 433 2HG1 VAL 51 2HG1 VAL 51 -12.512 -2.191 4.161 434 3HG1 VAL 51 3HG1 VAL 51 -13.046 -0.541 4.486 435 1HG2 VAL 51 1HG2 VAL 51 -12.153 -1.912 0.584 436 2HG2 VAL 51 2HG2 VAL 51 -12.857 -3.014 1.771 437 3HG2 VAL 51 3HG2 VAL 51 -11.210 -2.423 1.982 438 H GLU 52 H GLU 52 -13.962 -2.532 0.406 439 HA GLU 52 HA GLU 52 -15.109 -0.788 -1.659 440 1HB GLU 52 2HB GLU 52 -12.738 -2.600 -1.712 441 2HB GLU 52 1HB GLU 52 -13.654 -2.347 -3.192 442 1HG GLU 52 2HG GLU 52 -13.100 0.153 -1.867 443 2HG GLU 52 1HG GLU 52 -11.621 -0.750 -2.184 444 H LYS 53 H LYS 53 -14.342 -4.259 -1.283 445 HA LYS 53 HA LYS 53 -17.056 -4.831 -2.307 446 1HB LYS 53 2HB LYS 53 -14.410 -6.057 -2.928 447 2HB LYS 53 1HB LYS 53 -15.856 -7.049 -3.037 448 1HG LYS 53 2HG LYS 53 -16.239 -4.523 -4.370 449 2HG LYS 53 1HG LYS 53 -14.814 -5.361 -4.988 450 1HD LYS 53 2HD LYS 53 -16.036 -7.006 -5.931 451 2HD LYS 53 1HD LYS 53 -17.189 -7.052 -4.596 452 1HE LYS 53 2HE LYS 53 -18.372 -5.169 -5.454 453 2HE LYS 53 1HE LYS 53 -17.119 -4.855 -6.654 454 1HZ LYS 53 1HZ LYS 53 -18.498 -5.995 -7.984 455 2HZ LYS 53 2HZ LYS 53 -19.292 -6.768 -6.708 456 3HZ LYS 53 3HZ LYS 53 -17.809 -7.362 -7.263 457 H TYR 54 H TYR 54 -14.426 -6.344 -0.408 458 HA TYR 54 HA TYR 54 -16.529 -7.571 1.255 459 1HB TYR 54 2HB TYR 54 -14.398 -8.830 -0.237 460 2HB TYR 54 1HB TYR 54 -14.258 -9.197 1.480 461 HD1 TYR 54 1HD TYR 54 -16.452 -9.463 -1.475 462 HD2 TYR 54 2HD TYR 54 -15.819 -10.639 2.566 463 HE1 TYR 54 1HE TYR 54 -18.207 -11.170 -1.702 464 HE2 TYR 54 2HE TYR 54 -17.572 -12.350 2.348 465 HH TYR 54 HH TYR 54 -18.823 -13.336 -0.608 466 H GLY 55 H GLY 55 -13.487 -5.891 1.164 467 1HA GLY 55 2HA GLY 55 -12.619 -4.599 2.912 468 2HA GLY 55 1HA GLY 55 -13.701 -5.418 4.025 469 HA PRO 56 HA PRO 56 -10.165 -7.431 5.816 470 1HB PRO 56 2HB PRO 56 -12.107 -9.705 5.952 471 2HB PRO 56 1HB PRO 56 -11.014 -9.087 7.197 472 1HG PRO 56 2HG PRO 56 -13.602 -8.482 7.258 473 2HG PRO 56 1HG PRO 56 -12.378 -7.271 7.678 474 1HD PRO 56 2HD PRO 56 -14.044 -7.507 5.231 475 2HD PRO 56 1HD PRO 56 -13.391 -6.057 6.017 476 H GLU 57 H GLU 57 -12.070 -8.898 3.246 477 HA GLU 57 HA GLU 57 -10.464 -11.078 2.618 478 1HB GLU 57 2HB GLU 57 -12.346 -9.364 1.065 479 2HB GLU 57 1HB GLU 57 -11.315 -10.480 0.180 480 1HG GLU 57 2HG GLU 57 -12.643 -11.685 2.479 481 2HG GLU 57 1HG GLU 57 -13.752 -11.076 1.252 482 H ALA 58 H ALA 58 -10.462 -8.050 0.730 483 HA ALA 58 HA ALA 58 -8.074 -8.476 -0.596 484 1HB ALA 58 1HB ALA 58 -8.545 -5.675 0.128 485 2HB ALA 58 2HB ALA 58 -9.937 -6.491 -0.583 486 3HB ALA 58 3HB ALA 58 -8.408 -6.430 -1.460 487 H SER 59 H SER 59 -8.634 -7.429 2.668 488 HA SER 59 HA SER 59 -6.049 -6.360 3.170 489 1HB SER 59 2HB SER 59 -7.735 -5.671 4.673 490 2HB SER 59 1HB SER 59 -8.288 -7.323 4.943 491 HG SER 59 HG SER 59 -6.449 -7.726 6.133 492 H ALA 60 H ALA 60 -7.540 -9.529 3.734 493 HA ALA 60 HA ALA 60 -5.376 -10.733 5.047 494 1HB ALA 60 1HB ALA 60 -6.621 -12.615 5.009 495 2HB ALA 60 2HB ALA 60 -6.998 -12.461 3.293 496 3HB ALA 60 3HB ALA 60 -7.890 -11.510 4.480 497 H PHE 61 H PHE 61 -6.193 -10.532 1.606 498 HA PHE 61 HA PHE 61 -4.150 -12.191 0.636 499 1HB PHE 61 2HB PHE 61 -6.194 -11.178 -0.597 500 2HB PHE 61 1HB PHE 61 -5.152 -9.786 -0.871 501 HD1 PHE 61 1HD PHE 61 -5.410 -13.442 -1.416 502 HD2 PHE 61 2HD PHE 61 -3.604 -9.782 -2.619 503 HE1 PHE 61 1HE PHE 61 -4.438 -14.571 -3.375 504 HE2 PHE 61 2HE PHE 61 -2.630 -10.903 -4.580 505 HZ PHE 61 HZ PHE 61 -3.046 -13.300 -4.961 506 H THR 62 H THR 62 -4.265 -8.707 1.237 507 HA THR 62 HA THR 62 -1.554 -8.276 0.391 508 HB THR 62 HB THR 62 -3.096 -6.384 2.144 509 HG1 THR 62 1HG THR 62 -4.194 -5.655 0.344 510 1HG2 THR 62 1HG2 THR 62 -1.540 -5.648 -0.288 511 2HG2 THR 62 2HG2 THR 62 -0.708 -5.975 1.233 512 3HG2 THR 62 3HG2 THR 62 -1.912 -4.689 1.144 513 H LYS 63 H LYS 63 -3.183 -9.109 3.335 514 HA LYS 63 HA LYS 63 -1.295 -8.306 5.229 515 1HB LYS 63 2HB LYS 63 -3.366 -10.473 5.160 516 2HB LYS 63 1HB LYS 63 -2.244 -10.373 6.511 517 1HG LYS 63 2HG LYS 63 -3.565 -7.849 5.801 518 2HG LYS 63 1HG LYS 63 -4.631 -9.118 6.410 519 1HD LYS 63 2HD LYS 63 -3.053 -9.382 8.343 520 2HD LYS 63 1HD LYS 63 -2.208 -7.944 7.766 521 1HE LYS 63 2HE LYS 63 -3.624 -6.845 9.120 522 2HE LYS 63 1HE LYS 63 -4.773 -7.064 7.802 523 1HZ LYS 63 1HZ LYS 63 -5.941 -8.583 8.955 524 2HZ LYS 63 2HZ LYS 63 -5.250 -7.824 10.299 525 3HZ LYS 63 3HZ LYS 63 -4.578 -9.256 9.698 526 H LYS 64 H LYS 64 -1.324 -10.960 2.990 527 HA LYS 64 HA LYS 64 0.937 -12.266 4.276 528 1HB LYS 64 2HB LYS 64 -1.196 -13.227 2.811 529 2HB LYS 64 1HB LYS 64 0.114 -13.250 1.639 530 1HG LYS 64 2HG LYS 64 0.755 -14.355 4.291 531 2HG LYS 64 1HG LYS 64 -0.420 -15.261 3.338 532 1HD LYS 64 2HD LYS 64 2.233 -14.360 2.237 533 2HD LYS 64 1HD LYS 64 2.007 -15.916 3.037 534 1HE LYS 64 2HE LYS 64 -0.011 -16.065 1.311 535 2HE LYS 64 1HE LYS 64 1.026 -14.966 0.402 536 1HZ LYS 64 1HZ LYS 64 2.827 -16.739 0.981 537 2HZ LYS 64 2HZ LYS 64 1.775 -16.985 -0.321 538 3HZ LYS 64 3HZ LYS 64 1.492 -17.763 1.154 539 H MET 65 H MET 65 0.126 -10.268 1.537 540 HA MET 65 HA MET 65 2.479 -10.568 0.035 541 1HB MET 65 2HB MET 65 0.442 -8.370 0.252 542 2HB MET 65 1HB MET 65 1.849 -8.208 -0.790 543 1HG MET 65 2HG MET 65 0.280 -10.688 -1.087 544 2HG MET 65 1HG MET 65 -0.497 -9.195 -1.610 545 1HE MET 65 1HE MET 65 0.456 -10.328 -5.073 546 2HE MET 65 2HE MET 65 -0.784 -10.193 -3.826 547 3HE MET 65 3HE MET 65 0.258 -11.614 -3.882 548 H VAL 66 H VAL 66 2.009 -9.132 3.079 549 HA VAL 66 HA VAL 66 4.524 -7.619 2.811 550 HB VAL 66 HB VAL 66 3.747 -6.265 4.735 551 1HG1 VAL 66 1HG1 VAL 66 3.442 -5.465 2.446 552 2HG1 VAL 66 2HG1 VAL 66 2.121 -4.934 3.488 553 3HG1 VAL 66 3HG1 VAL 66 1.877 -6.275 2.368 554 1HG2 VAL 66 1HG2 VAL 66 2.222 -7.803 5.778 555 2HG2 VAL 66 2HG2 VAL 66 1.193 -7.819 4.345 556 3HG2 VAL 66 3HG2 VAL 66 1.334 -6.353 5.315 557 H GLU 67 H GLU 67 2.613 -9.701 4.949 558 HA GLU 67 HA GLU 67 4.587 -9.872 6.985 559 1HB GLU 67 2HB GLU 67 2.015 -10.436 7.006 560 2HB GLU 67 1HB GLU 67 2.577 -12.044 6.566 561 1HG GLU 67 2HG GLU 67 4.213 -11.477 8.647 562 2HG GLU 67 1HG GLU 67 2.753 -10.607 9.116 563 H ASN 68 H ASN 68 3.439 -12.481 4.841 564 HA ASN 68 HA ASN 68 5.933 -13.904 5.217 565 1HB ASN 68 2HB ASN 68 3.443 -14.821 4.954 566 2HB ASN 68 1HB ASN 68 3.895 -14.833 3.251 567 1HD2 ASN 68 1HD2 ASN 68 6.054 -15.875 2.805 568 2HD2 ASN 68 2HD2 ASN 68 6.399 -17.337 3.659 569 H ALA 69 H ALA 69 4.172 -12.393 2.542 570 HA ALA 69 HA ALA 69 6.288 -12.922 0.659 571 1HB ALA 69 1HB ALA 69 3.544 -12.074 0.545 572 2HB ALA 69 2HB ALA 69 4.569 -12.726 -0.735 573 3HB ALA 69 3HB ALA 69 4.555 -10.992 -0.417 574 H LYS 70 H LYS 70 7.703 -11.765 2.428 575 HA LYS 70 HA LYS 70 7.700 -8.881 2.241 576 1HB LYS 70 2HB LYS 70 9.742 -9.077 3.691 577 2HB LYS 70 1HB LYS 70 8.284 -9.790 4.370 578 1HG LYS 70 2HG LYS 70 9.140 -11.864 4.364 579 2HG LYS 70 1HG LYS 70 9.947 -11.638 2.811 580 1HD LYS 70 2HD LYS 70 11.814 -10.630 3.796 581 2HD LYS 70 1HD LYS 70 10.948 -10.285 5.295 582 1HE LYS 70 2HE LYS 70 10.961 -13.114 4.764 583 2HE LYS 70 1HE LYS 70 12.605 -12.476 4.741 584 1HZ LYS 70 1HZ LYS 70 10.920 -11.570 6.927 585 2HZ LYS 70 2HZ LYS 70 12.550 -12.018 6.930 586 3HZ LYS 70 3HZ LYS 70 11.348 -13.207 6.962 587 H LYS 71 H LYS 71 7.930 -9.473 -0.250 588 HA LYS 71 HA LYS 71 10.800 -9.257 -0.883 589 1HB LYS 71 2HB LYS 71 8.630 -10.550 -2.547 590 2HB LYS 71 1HB LYS 71 10.304 -10.344 -3.046 591 1HG LYS 71 2HG LYS 71 11.037 -12.060 -1.778 592 2HG LYS 71 1HG LYS 71 9.874 -11.747 -0.487 593 1HD LYS 71 2HD LYS 71 8.097 -12.734 -1.830 594 2HD LYS 71 1HD LYS 71 9.232 -13.007 -3.153 595 1HE LYS 71 2HE LYS 71 10.434 -14.621 -1.918 596 2HE LYS 71 1HE LYS 71 9.644 -14.164 -0.409 597 1HZ LYS 71 1HZ LYS 71 7.592 -15.076 -1.198 598 2HZ LYS 71 2HZ LYS 71 8.795 -16.252 -1.376 599 3HZ LYS 71 3HZ LYS 71 8.248 -15.391 -2.725 600 H ILE 72 H ILE 72 8.919 -7.124 -0.288 601 HA ILE 72 HA ILE 72 8.355 -5.886 -2.856 602 HB ILE 72 HB ILE 72 7.941 -4.669 -0.134 603 1HG1 ILE 72 2HG1 ILE 72 5.526 -5.661 -1.360 604 2HG1 ILE 72 1HG1 ILE 72 6.686 -6.971 -1.161 605 1HG2 ILE 72 1HG2 ILE 72 6.290 -3.293 -1.285 606 2HG2 ILE 72 2HG2 ILE 72 6.655 -4.113 -2.803 607 3HG2 ILE 72 3HG2 ILE 72 7.883 -3.117 -2.021 608 1HD1 ILE 72 1HD1 ILE 72 5.025 -5.710 0.789 609 2HD1 ILE 72 2HD1 ILE 72 6.720 -5.530 1.241 610 3HD1 ILE 72 3HD1 ILE 72 6.052 -7.136 0.946 611 H GLU 73 H GLU 73 9.167 -3.870 -3.500 612 HA GLU 73 HA GLU 73 11.437 -2.766 -2.048 613 1HB GLU 73 2HB GLU 73 12.762 -2.711 -4.218 614 2HB GLU 73 1HB GLU 73 12.624 -4.274 -3.425 615 1HG GLU 73 2HG GLU 73 10.456 -3.928 -5.264 616 2HG GLU 73 1HG GLU 73 11.990 -3.618 -6.076 617 H VAL 74 H VAL 74 12.143 -0.673 -2.959 618 HA VAL 74 HA VAL 74 9.818 0.785 -3.971 619 HB VAL 74 HB VAL 74 11.249 2.820 -3.427 620 1HG1 VAL 74 1HG1 VAL 74 9.404 1.822 -2.008 621 2HG1 VAL 74 2HG1 VAL 74 10.583 2.826 -1.164 622 3HG1 VAL 74 3HG1 VAL 74 10.680 1.070 -1.051 623 1HG2 VAL 74 1HG2 VAL 74 13.291 1.059 -3.245 624 2HG2 VAL 74 2HG2 VAL 74 12.836 1.203 -1.547 625 3HG2 VAL 74 3HG2 VAL 74 13.281 2.641 -2.467 626 H GLU 75 H GLU 75 9.690 0.894 -6.113 627 HA GLU 75 HA GLU 75 12.155 1.135 -7.685 628 1HB GLU 75 2HB GLU 75 9.549 -0.108 -8.122 629 2HB GLU 75 1HB GLU 75 10.070 0.872 -9.485 630 1HG GLU 75 2HG GLU 75 12.133 -0.896 -8.388 631 2HG GLU 75 1HG GLU 75 10.742 -1.720 -9.091 632 H PHE 76 H PHE 76 12.269 3.403 -6.879 633 HA PHE 76 HA PHE 76 11.534 5.207 -8.891 634 1HB PHE 76 2HB PHE 76 9.876 6.586 -7.747 635 2HB PHE 76 1HB PHE 76 9.271 4.945 -7.951 636 HD1 PHE 76 1HD PHE 76 9.517 3.355 -5.948 637 HD2 PHE 76 2HD PHE 76 9.867 7.586 -5.659 638 HE1 PHE 76 1HE PHE 76 9.058 3.224 -3.535 639 HE2 PHE 76 2HE PHE 76 9.411 7.463 -3.245 640 HZ PHE 76 HZ PHE 76 9.005 5.280 -2.179 641 H ASP 77 H ASP 77 13.199 6.546 -8.858 642 HA ASP 77 HA ASP 77 14.327 7.335 -6.253 643 1HB ASP 77 2HB ASP 77 15.817 5.971 -7.746 644 2HB ASP 77 1HB ASP 77 15.764 7.288 -8.914 645 H LYS 78 H LYS 78 12.106 8.617 -7.654 646 HA LYS 78 HA LYS 78 12.871 10.924 -9.032 647 1HB LYS 78 2HB LYS 78 10.470 10.567 -7.229 648 2HB LYS 78 1HB LYS 78 10.658 11.797 -8.472 649 1HG LYS 78 2HG LYS 78 10.822 9.953 -10.153 650 2HG LYS 78 1HG LYS 78 10.399 8.827 -8.862 651 1HD LYS 78 2HD LYS 78 8.282 9.936 -8.528 652 2HD LYS 78 1HD LYS 78 8.715 11.187 -9.696 653 1HE LYS 78 2HE LYS 78 8.987 9.195 -11.338 654 2HE LYS 78 1HE LYS 78 8.003 8.319 -10.167 655 1HZ LYS 78 1HZ LYS 78 6.526 10.471 -10.420 656 2HZ LYS 78 2HZ LYS 78 6.373 9.159 -11.476 657 3HZ LYS 78 3HZ LYS 78 7.265 10.518 -11.941 658 H GLY 79 H GLY 79 12.828 10.203 -5.619 659 1HA GLY 79 2HA GLY 79 14.204 11.376 -4.075 660 2HA GLY 79 1HA GLY 79 14.126 12.786 -5.120 661 H GLN 80 H GLN 80 11.245 12.659 -5.463 662 HA GLN 80 HA GLN 80 10.500 14.134 -3.125 663 1HB GLN 80 2HB GLN 80 8.333 14.405 -4.250 664 2HB GLN 80 1HB GLN 80 9.671 14.788 -5.324 665 1HG GLN 80 2HG GLN 80 9.458 12.591 -6.371 666 2HG GLN 80 1HG GLN 80 8.113 12.213 -5.297 667 1HE2 GLN 80 1HE2 GLN 80 6.590 14.381 -5.295 668 2HE2 GLN 80 2HE2 GLN 80 6.020 14.760 -6.882 669 H ARG 81 H ARG 81 9.574 13.405 -1.333 670 HA ARG 81 HA ARG 81 8.536 10.656 -1.320 671 1HB ARG 81 2HB ARG 81 9.873 12.363 0.734 672 2HB ARG 81 1HB ARG 81 8.756 11.115 1.271 673 1HG ARG 81 2HG ARG 81 10.139 9.530 -0.203 674 2HG ARG 81 1HG ARG 81 11.350 10.812 -0.190 675 1HD ARG 81 2HD ARG 81 10.360 10.320 2.471 676 2HD ARG 81 1HD ARG 81 10.946 8.826 1.741 677 HE ARG 81 HE ARG 81 13.086 9.652 1.827 678 1HH1 ARG 81 1HH1 ARG 81 10.832 12.242 2.456 679 2HH1 ARG 81 2HH1 ARG 81 12.062 13.363 2.933 680 1HH2 ARG 81 1HH2 ARG 81 14.704 11.126 2.456 681 2HH2 ARG 81 2HH2 ARG 81 14.259 12.731 2.933 682 H THR 82 H THR 82 7.674 13.966 -0.848 683 HA THR 82 HA THR 82 4.915 13.146 -0.329 684 HB THR 82 HB THR 82 5.587 13.679 1.868 685 HG1 THR 82 1HG THR 82 4.422 15.550 2.298 686 1HG2 THR 82 1HG2 THR 82 7.736 14.720 1.401 687 2HG2 THR 82 2HG2 THR 82 6.773 15.696 2.511 688 3HG2 THR 82 3HG2 THR 82 6.914 16.166 0.817 689 H ASP 83 H ASP 83 3.458 14.259 -1.470 690 HA ASP 83 HA ASP 83 3.507 16.919 -2.222 691 1HB ASP 83 2HB ASP 83 5.525 15.868 -3.588 692 2HB ASP 83 1HB ASP 83 4.232 15.351 -4.663 693 H LYS 84 H LYS 84 2.679 13.645 -3.151 694 HA LYS 84 HA LYS 84 0.317 14.417 -4.600 695 1HB LYS 84 2HB LYS 84 0.757 11.626 -3.627 696 2HB LYS 84 1HB LYS 84 0.082 12.183 -5.150 697 1HG LYS 84 2HG LYS 84 2.371 12.929 -5.808 698 2HG LYS 84 1HG LYS 84 2.983 12.153 -4.344 699 1HD LYS 84 2HD LYS 84 2.114 10.006 -5.108 700 2HD LYS 84 1HD LYS 84 1.455 10.773 -6.554 701 1HE LYS 84 2HE LYS 84 4.081 11.553 -6.614 702 2HE LYS 84 1HE LYS 84 4.188 9.923 -5.950 703 1HZ LYS 84 1HZ LYS 84 3.152 10.790 -8.570 704 2HZ LYS 84 2HZ LYS 84 2.640 9.326 -7.896 705 3HZ LYS 84 3HZ LYS 84 4.281 9.579 -8.218 706 H TYR 85 H TYR 85 0.715 12.296 -1.761 707 HA TYR 85 HA TYR 85 -1.812 13.395 -0.712 708 1HB TYR 85 2HB TYR 85 -2.236 11.137 -1.324 709 2HB TYR 85 1HB TYR 85 -0.718 10.584 -0.624 710 HD1 TYR 85 1HD TYR 85 -0.480 10.403 1.831 711 HD2 TYR 85 2HD TYR 85 -4.198 11.416 0.023 712 HE1 TYR 85 1HE TYR 85 -1.642 9.860 3.930 713 HE2 TYR 85 2HE TYR 85 -5.369 10.876 2.117 714 HH TYR 85 HH TYR 85 -5.056 9.588 4.125 715 H GLY 86 H GLY 86 1.509 13.096 -0.164 716 1HA GLY 86 2HA GLY 86 2.522 14.283 1.654 717 2HA GLY 86 1HA GLY 86 1.110 13.910 2.635 718 H ARG 87 H ARG 87 2.999 11.721 0.610 719 HA ARG 87 HA ARG 87 4.526 10.082 1.186 720 1HB ARG 87 2HB ARG 87 4.659 11.498 3.472 721 2HB ARG 87 1HB ARG 87 3.856 10.055 4.075 722 1HG ARG 87 2HG ARG 87 5.762 8.928 4.091 723 2HG ARG 87 1HG ARG 87 6.070 9.324 2.399 724 1HD ARG 87 2HD ARG 87 7.878 10.128 3.815 725 2HD ARG 87 1HD ARG 87 7.015 11.478 3.079 726 HE ARG 87 HE ARG 87 6.072 10.776 5.707 727 1HH1 ARG 87 1HH1 ARG 87 8.377 12.672 3.895 728 2HH1 ARG 87 2HH1 ARG 87 8.605 13.833 5.161 729 1HH2 ARG 87 1HH2 ARG 87 6.370 12.302 7.371 730 2HH2 ARG 87 2HH2 ARG 87 7.466 13.623 7.134 731 H GLY 88 H GLY 88 1.614 9.966 0.672 732 1HA GLY 88 2HA GLY 88 0.908 7.478 2.071 733 2HA GLY 88 1HA GLY 88 -0.219 8.528 1.228 734 H LEU 89 H LEU 89 2.089 8.573 -0.922 735 HA LEU 89 HA LEU 89 1.163 6.118 -2.254 736 1HB LEU 89 2HB LEU 89 1.063 8.765 -3.107 737 2HB LEU 89 1HB LEU 89 2.413 8.083 -3.992 738 HG LEU 89 HG LEU 89 0.335 7.935 -5.271 739 1HD1 LEU 89 1HD1 LEU 89 0.337 5.320 -5.431 740 2HD1 LEU 89 2HD1 LEU 89 1.736 5.465 -4.369 741 3HD1 LEU 89 3HD1 LEU 89 1.741 6.254 -5.947 742 1HD2 LEU 89 1HD2 LEU 89 -1.058 7.694 -3.119 743 2HD2 LEU 89 2HD2 LEU 89 -0.714 5.971 -3.267 744 3HD2 LEU 89 3HD2 LEU 89 -1.573 6.812 -4.557 745 H ALA 90 H ALA 90 2.622 4.555 -2.351 746 HA ALA 90 HA ALA 90 5.404 5.229 -2.957 747 1HB ALA 90 1HB ALA 90 4.544 3.531 -0.619 748 2HB ALA 90 2HB ALA 90 5.416 5.063 -0.564 749 3HB ALA 90 3HB ALA 90 6.197 3.627 -1.227 750 H TYR 91 H TYR 91 6.265 3.911 -4.439 751 HA TYR 91 HA TYR 91 4.722 1.970 -5.757 752 1HB TYR 91 2HB TYR 91 7.669 2.604 -5.812 753 2HB TYR 91 1HB TYR 91 6.963 1.341 -6.816 754 HD1 TYR 91 1HD TYR 91 6.730 4.976 -6.059 755 HD2 TYR 91 2HD TYR 91 5.997 1.876 -8.877 756 HE1 TYR 91 1HE TYR 91 6.142 6.662 -7.750 757 HE2 TYR 91 2HE TYR 91 5.406 3.552 -10.577 758 HH TYR 91 HH TYR 91 5.994 6.062 -10.970 759 H ILE 92 H ILE 92 4.258 -0.049 -5.213 760 HA ILE 92 HA ILE 92 6.073 -1.459 -3.364 761 HB ILE 92 HB ILE 92 3.983 -2.814 -2.772 762 1HG1 ILE 92 2HG1 ILE 92 2.535 -0.349 -3.724 763 2HG1 ILE 92 1HG1 ILE 92 2.694 -1.780 -4.737 764 1HG2 ILE 92 1HG2 ILE 92 5.027 -1.284 -1.220 765 2HG2 ILE 92 2HG2 ILE 92 3.272 -1.149 -1.100 766 3HG2 ILE 92 3HG2 ILE 92 4.195 0.082 -1.964 767 1HD1 ILE 92 1HD1 ILE 92 0.933 -1.269 -2.479 768 2HD1 ILE 92 2HD1 ILE 92 1.762 -2.822 -2.388 769 3HD1 ILE 92 3HD1 ILE 92 0.784 -2.426 -3.800 770 H TYR 93 H TYR 93 7.163 -3.001 -4.377 771 HA TYR 93 HA TYR 93 5.776 -4.576 -6.446 772 1HB TYR 93 2HB TYR 93 8.641 -3.634 -6.345 773 2HB TYR 93 1HB TYR 93 8.111 -4.936 -7.406 774 HD1 TYR 93 1HD TYR 93 8.044 -1.338 -6.794 775 HD2 TYR 93 2HD TYR 93 6.632 -4.474 -9.300 776 HE1 TYR 93 1HE TYR 93 7.373 0.320 -8.482 777 HE2 TYR 93 2HE TYR 93 5.959 -2.825 -10.995 778 HH TYR 93 HH TYR 93 5.700 0.446 -10.378 779 H ALA 94 H ALA 94 5.140 -5.994 -4.696 780 HA ALA 94 HA ALA 94 7.156 -7.409 -3.211 781 1HB ALA 94 1HB ALA 94 4.630 -6.859 -2.631 782 2HB ALA 94 2HB ALA 94 5.447 -8.281 -1.983 783 3HB ALA 94 3HB ALA 94 4.377 -8.438 -3.375 784 H ASP 95 H ASP 95 8.228 -9.142 -3.844 785 HA ASP 95 HA ASP 95 8.885 -10.988 -4.996 786 1HB ASP 95 2HB ASP 95 6.639 -11.794 -4.130 787 2HB ASP 95 1HB ASP 95 5.976 -11.384 -5.708 788 H GLY 96 H GLY 96 9.244 -8.670 -6.334 789 1HA GLY 96 2HA GLY 96 9.625 -7.807 -8.426 790 2HA GLY 96 1HA GLY 96 9.537 -9.469 -8.993 791 H LYS 97 H LYS 97 6.778 -8.184 -7.375 792 HA LYS 97 HA LYS 97 5.495 -7.393 -9.863 793 1HB LYS 97 2HB LYS 97 4.310 -9.536 -8.096 794 2HB LYS 97 1HB LYS 97 3.606 -8.889 -9.571 795 1HG LYS 97 2HG LYS 97 5.343 -9.863 -10.902 796 2HG LYS 97 1HG LYS 97 6.227 -10.365 -9.459 797 1HD LYS 97 2HD LYS 97 4.320 -11.815 -8.842 798 2HD LYS 97 1HD LYS 97 3.523 -11.365 -10.351 799 1HE LYS 97 2HE LYS 97 5.359 -12.324 -11.626 800 2HE LYS 97 1HE LYS 97 6.207 -12.726 -10.133 801 1HZ LYS 97 1HZ LYS 97 3.532 -13.792 -10.848 802 2HZ LYS 97 2HZ LYS 97 4.516 -14.281 -9.562 803 3HZ LYS 97 3HZ LYS 97 4.982 -14.607 -11.155 804 H MET 98 H MET 98 3.530 -6.217 -9.565 805 HA MET 98 HA MET 98 3.526 -4.687 -7.121 806 1HB MET 98 2HB MET 98 2.659 -4.300 -9.814 807 2HB MET 98 1HB MET 98 1.287 -4.026 -8.748 808 1HG MET 98 2HG MET 98 2.791 -2.493 -7.421 809 2HG MET 98 1HG MET 98 3.938 -2.621 -8.753 810 1HE MET 98 1HE MET 98 3.526 0.170 -10.374 811 2HE MET 98 2HE MET 98 2.857 -0.959 -11.553 812 3HE MET 98 3HE MET 98 4.127 -1.487 -10.449 813 H VAL 99 H VAL 99 1.804 -4.479 -5.667 814 HA VAL 99 HA VAL 99 0.148 -6.872 -5.453 815 HB VAL 99 HB VAL 99 0.408 -4.625 -3.455 816 1HG1 VAL 99 1HG1 VAL 99 -0.357 -6.356 -1.863 817 2HG1 VAL 99 2HG1 VAL 99 -0.583 -7.463 -3.218 818 3HG1 VAL 99 3HG1 VAL 99 -1.550 -5.992 -3.110 819 1HG2 VAL 99 1HG2 VAL 99 2.555 -5.322 -3.339 820 2HG2 VAL 99 2HG2 VAL 99 2.201 -6.884 -4.080 821 3HG2 VAL 99 3HG2 VAL 99 1.851 -6.619 -2.371 822 H ASN 100 H ASN 100 -0.127 -3.415 -5.929 823 HA ASN 100 HA ASN 100 -2.906 -3.180 -5.486 824 1HB ASN 100 2HB ASN 100 -0.854 -1.525 -6.910 825 2HB ASN 100 1HB ASN 100 -2.561 -1.126 -7.078 826 1HD2 ASN 100 1HD2 ASN 100 0.199 -0.761 -5.214 827 2HD2 ASN 100 2HD2 ASN 100 -0.526 -0.050 -3.817 828 H GLU 101 H GLU 101 -1.049 -4.363 -8.153 829 HA GLU 101 HA GLU 101 -3.298 -4.209 -9.994 830 1HB GLU 101 2HB GLU 101 -0.399 -4.831 -10.229 831 2HB GLU 101 1HB GLU 101 -1.481 -5.546 -11.416 832 1HG GLU 101 2HG GLU 101 -2.352 -3.239 -11.867 833 2HG GLU 101 1HG GLU 101 -1.050 -2.627 -10.848 834 H ALA 102 H ALA 102 -1.914 -6.436 -7.789 835 HA ALA 102 HA ALA 102 -2.565 -8.870 -9.026 836 1HB ALA 102 1HB ALA 102 -1.213 -9.300 -7.272 837 2HB ALA 102 2HB ALA 102 -2.746 -9.525 -6.431 838 3HB ALA 102 3HB ALA 102 -1.883 -7.995 -6.294 839 H LEU 103 H LEU 103 -4.242 -7.947 -6.049 840 HA LEU 103 HA LEU 103 -6.755 -8.738 -7.354 841 1HB LEU 103 2HB LEU 103 -7.523 -9.698 -5.388 842 2HB LEU 103 1HB LEU 103 -5.836 -10.152 -5.440 843 HG LEU 103 HG LEU 103 -6.320 -9.608 -3.195 844 1HD1 LEU 103 1HD1 LEU 103 -5.055 -7.084 -4.203 845 2HD1 LEU 103 2HD1 LEU 103 -4.219 -8.636 -4.229 846 3HD1 LEU 103 3HD1 LEU 103 -4.753 -7.948 -2.696 847 1HD2 LEU 103 1HD2 LEU 103 -7.720 -8.010 -2.458 848 2HD2 LEU 103 2HD2 LEU 103 -8.339 -8.091 -4.107 849 3HD2 LEU 103 3HD2 LEU 103 -7.188 -6.832 -3.657 850 H VAL 104 H VAL 104 -5.138 -6.126 -5.891 851 HA VAL 104 HA VAL 104 -7.397 -4.744 -4.855 852 HB VAL 104 HB VAL 104 -4.835 -3.471 -5.802 853 1HG1 VAL 104 1HG1 VAL 104 -5.471 -1.614 -4.694 854 2HG1 VAL 104 2HG1 VAL 104 -6.247 -2.525 -3.398 855 3HG1 VAL 104 3HG1 VAL 104 -7.088 -2.278 -4.929 856 1HG2 VAL 104 1HG2 VAL 104 -5.431 -4.910 -3.229 857 2HG2 VAL 104 2HG2 VAL 104 -4.110 -3.754 -3.401 858 3HG2 VAL 104 3HG2 VAL 104 -4.127 -5.224 -4.375 859 H ARG 105 H ARG 105 -5.963 -5.026 -8.013 860 HA ARG 105 HA ARG 105 -7.195 -2.735 -9.167 861 1HB ARG 105 2HB ARG 105 -5.222 -3.779 -10.169 862 2HB ARG 105 1HB ARG 105 -6.138 -5.248 -10.475 863 1HG ARG 105 2HG ARG 105 -6.968 -4.442 -12.373 864 2HG ARG 105 1HG ARG 105 -7.431 -2.919 -11.612 865 1HD ARG 105 2HD ARG 105 -4.571 -3.069 -11.897 866 2HD ARG 105 1HD ARG 105 -5.358 -3.360 -13.448 867 HE ARG 105 HE ARG 105 -6.621 -1.161 -12.416 868 1HH1 ARG 105 1HH1 ARG 105 -3.323 -1.993 -13.193 869 2HH1 ARG 105 2HH1 ARG 105 -2.864 -0.363 -13.558 870 1HH2 ARG 105 1HH2 ARG 105 -6.021 0.985 -12.896 871 2HH2 ARG 105 2HH2 ARG 105 -4.397 1.327 -13.388 872 H GLN 106 H GLN 106 -8.392 -5.784 -8.236 873 HA GLN 106 HA GLN 106 -10.551 -5.824 -10.166 874 1HB GLN 106 2HB GLN 106 -9.281 -7.733 -8.505 875 2HB GLN 106 1HB GLN 106 -10.965 -7.662 -8.007 876 1HG GLN 106 2HG GLN 106 -11.723 -8.536 -9.947 877 2HG GLN 106 1HG GLN 106 -10.448 -7.791 -10.910 878 1HE2 GLN 106 1HE2 GLN 106 -9.916 -9.638 -12.012 879 2HE2 GLN 106 2HE2 GLN 106 -9.146 -10.994 -11.268 880 H GLY 107 H GLY 107 -10.086 -3.818 -7.749 881 1HA GLY 107 2HA GLY 107 -11.778 -2.356 -6.964 882 2HA GLY 107 1HA GLY 107 -12.946 -3.655 -7.142 883 H LEU 108 H LEU 108 -9.827 -3.952 -5.563 884 HA LEU 108 HA LEU 108 -9.258 -4.651 -3.478 885 1HB LEU 108 2HB LEU 108 -11.046 -2.357 -3.177 886 2HB LEU 108 1HB LEU 108 -10.941 -3.356 -1.739 887 HG LEU 108 HG LEU 108 -8.659 -1.980 -3.154 888 1HD1 LEU 108 1HD1 LEU 108 -9.477 -0.318 -1.858 889 2HD1 LEU 108 2HD1 LEU 108 -8.544 -1.152 -0.615 890 3HD1 LEU 108 3HD1 LEU 108 -10.281 -1.427 -0.748 891 1HD2 LEU 108 1HD2 LEU 108 -8.692 -4.047 -0.987 892 2HD2 LEU 108 2HD2 LEU 108 -7.391 -2.863 -1.097 893 3HD2 LEU 108 3HD2 LEU 108 -7.691 -3.971 -2.436 894 H ALA 109 H ALA 109 -9.635 -6.681 -3.027 895 HA ALA 109 HA ALA 109 -10.571 -8.420 -1.834 896 1HB ALA 109 1HB ALA 109 -12.442 -8.188 -0.575 897 2HB ALA 109 2HB ALA 109 -13.322 -7.324 -1.835 898 3HB ALA 109 3HB ALA 109 -12.116 -6.479 -0.865 899 H LYS 110 H LYS 110 -13.247 -7.160 -3.825 900 HA LYS 110 HA LYS 110 -14.515 -8.161 -5.433 901 1HB LYS 110 2HB LYS 110 -12.272 -7.672 -6.557 902 2HB LYS 110 1HB LYS 110 -11.936 -9.390 -6.386 903 1HG LYS 110 2HG LYS 110 -14.527 -8.746 -7.606 904 2HG LYS 110 1HG LYS 110 -13.112 -8.263 -8.542 905 1HD LYS 110 2HD LYS 110 -12.544 -10.392 -9.009 906 2HD LYS 110 1HD LYS 110 -12.965 -10.962 -7.392 907 1HE LYS 110 2HE LYS 110 -14.535 -12.023 -8.721 908 2HE LYS 110 1HE LYS 110 -15.408 -10.597 -8.167 909 1HZ LYS 110 1HZ LYS 110 -15.332 -9.636 -10.222 910 2HZ LYS 110 2HZ LYS 110 -15.399 -11.265 -10.674 911 3HZ LYS 110 3HZ LYS 110 -13.920 -10.444 -10.690 Start of MODEL 2 1 1H ALA 1 1HT ALA 1 9.118 20.962 -21.971 2 2H ALA 1 2HT ALA 1 10.350 20.679 -20.809 3 3H ALA 1 3HT ALA 1 9.423 19.369 -21.416 4 HA ALA 1 HA ALA 1 10.293 20.056 -23.663 5 1HB ALA 1 1HB ALA 1 12.656 21.073 -22.185 6 2HB ALA 1 2HB ALA 1 11.291 22.166 -22.409 7 3HB ALA 1 3HB ALA 1 12.085 21.450 -23.810 8 H THR 2 H THR 2 12.469 19.524 -20.886 9 HA THR 2 HA THR 2 13.167 16.916 -22.053 10 HB THR 2 HB THR 2 15.149 17.157 -20.389 11 HG1 THR 2 1HG THR 2 15.599 19.194 -19.736 12 1HG2 THR 2 1HG2 THR 2 16.157 19.004 -22.034 13 2HG2 THR 2 2HG2 THR 2 14.777 18.474 -22.997 14 3HG2 THR 2 3HG2 THR 2 15.987 17.304 -22.471 15 H SER 3 H SER 3 11.821 15.444 -21.185 16 HA SER 3 HA SER 3 11.462 15.455 -18.263 17 1HB SER 3 2HB SER 3 9.504 15.443 -20.126 18 2HB SER 3 1HB SER 3 9.740 13.708 -19.923 19 HG SER 3 HG SER 3 9.573 14.208 -17.582 20 H THR 4 H THR 4 12.769 14.090 -17.251 21 HA THR 4 HA THR 4 13.470 11.559 -18.586 22 HB THR 4 HB THR 4 15.015 12.702 -16.281 23 HG1 THR 4 1HG THR 4 15.233 13.435 -19.007 24 1HG2 THR 4 1HG2 THR 4 15.502 10.703 -18.409 25 2HG2 THR 4 2HG2 THR 4 15.976 10.697 -16.711 26 3HG2 THR 4 3HG2 THR 4 16.864 11.685 -17.870 27 H LYS 5 H LYS 5 13.420 9.632 -17.406 28 HA LYS 5 HA LYS 5 11.597 9.694 -15.119 29 1HB LYS 5 2HB LYS 5 11.294 7.303 -15.529 30 2HB LYS 5 1HB LYS 5 11.003 8.232 -16.993 31 1HG LYS 5 2HG LYS 5 13.652 7.642 -17.232 32 2HG LYS 5 1HG LYS 5 13.028 6.204 -16.420 33 1HD LYS 5 2HD LYS 5 12.876 5.805 -18.761 34 2HD LYS 5 1HD LYS 5 11.237 6.110 -18.182 35 1HE LYS 5 2HE LYS 5 11.018 7.936 -19.454 36 2HE LYS 5 1HE LYS 5 12.616 8.536 -19.013 37 1HZ LYS 5 1HZ LYS 5 13.611 7.173 -20.677 38 2HZ LYS 5 2HZ LYS 5 12.348 8.029 -21.407 39 3HZ LYS 5 3HZ LYS 5 12.145 6.396 -21.015 40 H LYS 6 H LYS 6 12.079 8.791 -13.141 41 HA LYS 6 HA LYS 6 14.932 8.262 -12.668 42 1HB LYS 6 2HB LYS 6 12.747 9.406 -10.967 43 2HB LYS 6 1HB LYS 6 14.132 8.641 -10.203 44 1HG LYS 6 2HG LYS 6 15.523 10.214 -11.721 45 2HG LYS 6 1HG LYS 6 14.020 11.127 -11.850 46 1HD LYS 6 2HD LYS 6 14.160 11.890 -9.740 47 2HD LYS 6 1HD LYS 6 14.727 10.340 -9.116 48 1HE LYS 6 2HE LYS 6 16.679 11.696 -10.812 49 2HE LYS 6 1HE LYS 6 16.238 12.619 -9.377 50 1HZ LYS 6 1HZ LYS 6 18.114 10.732 -9.403 51 2HZ LYS 6 2HZ LYS 6 16.778 9.803 -8.938 52 3HZ LYS 6 3HZ LYS 6 17.231 11.151 -8.020 53 H LEU 7 H LEU 7 15.416 6.172 -12.567 54 HA LEU 7 HA LEU 7 13.440 4.329 -11.396 55 1HB LEU 7 2HB LEU 7 14.689 4.197 -13.843 56 2HB LEU 7 1HB LEU 7 15.675 3.131 -12.860 57 HG LEU 7 HG LEU 7 14.006 1.807 -13.946 58 1HD1 LEU 7 1HD1 LEU 7 13.202 2.239 -11.073 59 2HD1 LEU 7 2HD1 LEU 7 14.527 1.216 -11.627 60 3HD1 LEU 7 3HD1 LEU 7 12.864 0.810 -12.049 61 1HD2 LEU 7 1HD2 LEU 7 12.394 3.495 -14.507 62 2HD2 LEU 7 2HD2 LEU 7 12.019 3.765 -12.805 63 3HD2 LEU 7 3HD2 LEU 7 11.590 2.234 -13.571 64 H HIS 8 H HIS 8 13.917 4.140 -9.296 65 HA HIS 8 HA HIS 8 16.693 3.481 -8.571 66 1HB HIS 8 2HB HIS 8 14.952 5.525 -7.541 67 2HB HIS 8 1HB HIS 8 15.328 4.378 -6.261 68 HD1 HIS 8 1HD HIS 8 17.791 5.281 -8.957 69 HD2 HIS 8 2HD HIS 8 17.097 6.036 -4.929 70 HE1 HIS 8 1HE HIS 8 19.858 6.445 -8.125 71 HE2 HIS 8 2HE HIS 8 19.367 6.997 -5.716 72 H LYS 9 H LYS 9 17.034 1.730 -7.253 73 HA LYS 9 HA LYS 9 14.639 0.163 -6.548 74 1HB LYS 9 2HB LYS 9 17.158 -0.592 -7.882 75 2HB LYS 9 1HB LYS 9 16.618 -1.703 -6.630 76 1HG LYS 9 2HG LYS 9 14.323 -1.506 -7.881 77 2HG LYS 9 1HG LYS 9 15.348 -1.011 -9.230 78 1HD LYS 9 2HD LYS 9 15.409 -3.245 -9.604 79 2HD LYS 9 1HD LYS 9 16.710 -3.171 -8.415 80 1HE LYS 9 2HE LYS 9 14.464 -3.382 -6.849 81 2HE LYS 9 1HE LYS 9 14.068 -4.399 -8.234 82 1HZ LYS 9 1HZ LYS 9 16.564 -5.182 -7.726 83 2HZ LYS 9 2HZ LYS 9 15.200 -5.927 -7.061 84 3HZ LYS 9 3HZ LYS 9 16.061 -4.784 -6.161 85 H GLU 10 H GLU 10 14.319 0.417 -4.434 86 HA GLU 10 HA GLU 10 16.595 -0.060 -2.636 87 1HB GLU 10 2HB GLU 10 14.390 1.905 -2.028 88 2HB GLU 10 1HB GLU 10 15.892 1.664 -1.147 89 1HG GLU 10 2HG GLU 10 16.913 2.324 -3.516 90 2HG GLU 10 1HG GLU 10 15.369 3.164 -3.639 91 HA PRO 11 HA PRO 11 13.859 -3.045 -0.850 92 1HB PRO 11 2HB PRO 11 15.124 -3.517 1.476 93 2HB PRO 11 1HB PRO 11 15.799 -4.028 -0.077 94 1HG PRO 11 2HG PRO 11 16.482 -1.638 1.590 95 2HG PRO 11 1HG PRO 11 17.565 -2.750 0.734 96 1HD PRO 11 2HD PRO 11 16.840 -0.305 -0.242 97 2HD PRO 11 1HD PRO 11 17.276 -1.679 -1.275 98 H ALA 12 H ALA 12 11.906 -2.620 -0.053 99 HA ALA 12 HA ALA 12 11.668 -1.208 2.490 100 1HB ALA 12 1HB ALA 12 11.178 0.684 1.351 101 2HB ALA 12 2HB ALA 12 9.582 -0.061 1.253 102 3HB ALA 12 3HB ALA 12 10.699 -0.187 -0.106 103 H THR 13 H THR 13 10.723 -2.743 3.677 104 HA THR 13 HA THR 13 8.457 -4.218 2.510 105 HB THR 13 HB THR 13 9.799 -5.162 5.000 106 HG1 THR 13 1HG THR 13 11.642 -5.132 3.986 107 1HG2 THR 13 1HG2 THR 13 8.770 -6.617 2.579 108 2HG2 THR 13 2HG2 THR 13 7.921 -6.428 4.112 109 3HG2 THR 13 3HG2 THR 13 9.416 -7.361 4.040 110 H LEU 14 H LEU 14 6.741 -4.838 4.077 111 HA LEU 14 HA LEU 14 6.227 -2.602 5.910 112 1HB LEU 14 2HB LEU 14 3.906 -2.963 5.607 113 2HB LEU 14 1HB LEU 14 4.636 -3.003 4.014 114 HG LEU 14 HG LEU 14 4.668 -5.640 4.601 115 1HD1 LEU 14 1HD1 LEU 14 3.293 -4.750 6.732 116 2HD1 LEU 14 2HD1 LEU 14 3.047 -6.338 6.005 117 3HD1 LEU 14 3HD1 LEU 14 1.967 -5.005 5.598 118 1HD2 LEU 14 1HD2 LEU 14 2.076 -5.044 3.567 119 2HD2 LEU 14 2HD2 LEU 14 3.505 -5.619 2.711 120 3HD2 LEU 14 3HD2 LEU 14 3.232 -3.889 2.907 121 H ILE 15 H ILE 15 5.830 -2.928 8.031 122 HA ILE 15 HA ILE 15 6.579 -5.440 9.175 123 HB ILE 15 HB ILE 15 5.341 -3.084 10.598 124 1HG1 ILE 15 2HG1 ILE 15 8.295 -3.599 10.396 125 2HG1 ILE 15 1HG1 ILE 15 7.463 -2.667 9.155 126 1HG2 ILE 15 1HG2 ILE 15 5.348 -4.676 12.209 127 2HG2 ILE 15 2HG2 ILE 15 7.025 -4.156 12.369 128 3HG2 ILE 15 3HG2 ILE 15 6.636 -5.605 11.441 129 1HD1 ILE 15 1HD1 ILE 15 8.511 -1.251 10.855 130 2HD1 ILE 15 2HD1 ILE 15 7.498 -2.004 12.090 131 3HD1 ILE 15 3HD1 ILE 15 6.760 -1.047 10.805 132 H LYS 16 H LYS 16 3.575 -3.523 9.409 133 HA LYS 16 HA LYS 16 1.954 -5.875 9.117 134 1HB LYS 16 2HB LYS 16 2.708 -5.012 11.754 135 2HB LYS 16 1HB LYS 16 0.974 -4.812 11.543 136 1HG LYS 16 2HG LYS 16 0.982 -7.213 10.673 137 2HG LYS 16 1HG LYS 16 2.604 -7.319 11.360 138 1HD LYS 16 2HD LYS 16 0.888 -6.147 13.305 139 2HD LYS 16 1HD LYS 16 0.101 -7.596 12.676 140 1HE LYS 16 2HE LYS 16 1.493 -8.120 14.610 141 2HE LYS 16 1HE LYS 16 2.105 -8.903 13.154 142 1HZ LYS 16 1HZ LYS 16 3.301 -6.815 14.779 143 2HZ LYS 16 2HZ LYS 16 3.484 -6.633 13.109 144 3HZ LYS 16 3HZ LYS 16 4.038 -8.037 13.871 145 H ALA 17 H ALA 17 -0.176 -5.412 8.638 146 HA ALA 17 HA ALA 17 -0.778 -2.553 8.266 147 1HB ALA 17 1HB ALA 17 -2.027 -3.086 6.360 148 2HB ALA 17 2HB ALA 17 -2.135 -4.791 6.797 149 3HB ALA 17 3HB ALA 17 -0.600 -4.116 6.248 150 H ILE 18 H ILE 18 -2.876 -1.786 8.741 151 HA ILE 18 HA ILE 18 -4.042 -2.855 11.067 152 HB ILE 18 HB ILE 18 -5.895 -1.243 10.656 153 1HG1 ILE 18 2HG1 ILE 18 -4.437 0.022 8.423 154 2HG1 ILE 18 1HG1 ILE 18 -5.264 -1.478 8.022 155 1HG2 ILE 18 1HG2 ILE 18 -3.467 -0.769 11.597 156 2HG2 ILE 18 2HG2 ILE 18 -4.655 0.520 11.393 157 3HG2 ILE 18 3HG2 ILE 18 -3.394 0.284 10.182 158 1HD1 ILE 18 1HD1 ILE 18 -7.032 -0.171 7.670 159 2HD1 ILE 18 2HD1 ILE 18 -6.344 1.169 8.588 160 3HD1 ILE 18 3HD1 ILE 18 -7.176 -0.140 9.427 161 H ASP 19 H ASP 19 -4.404 -3.762 7.811 162 HA ASP 19 HA ASP 19 -5.547 -5.545 6.935 163 1HB ASP 19 2HB ASP 19 -7.278 -5.627 9.400 164 2HB ASP 19 1HB ASP 19 -6.999 -6.909 8.230 165 H GLY 20 H GLY 20 -6.836 -2.596 7.889 166 1HA GLY 20 2HA GLY 20 -9.432 -3.063 6.646 167 2HA GLY 20 1HA GLY 20 -8.933 -1.608 7.486 168 H ASP 21 H ASP 21 -6.488 -1.188 6.069 169 HA ASP 21 HA ASP 21 -6.508 -1.229 3.347 170 1HB ASP 21 2HB ASP 21 -7.415 1.143 2.859 171 2HB ASP 21 1HB ASP 21 -8.576 -0.163 3.072 172 H THR 22 H THR 22 -5.692 0.355 6.279 173 HA THR 22 HA THR 22 -3.671 2.013 4.970 174 HB THR 22 HB THR 22 -4.639 1.879 7.829 175 HG1 THR 22 1HG THR 22 -6.054 3.093 6.787 176 1HG2 THR 22 1HG2 THR 22 -2.557 2.613 8.316 177 2HG2 THR 22 2HG2 THR 22 -3.276 4.148 7.830 178 3HG2 THR 22 3HG2 THR 22 -2.276 3.243 6.694 179 H VAL 23 H VAL 23 -1.478 1.782 5.320 180 HA VAL 23 HA VAL 23 -0.593 -0.529 6.896 181 HB VAL 23 HB VAL 23 0.585 -0.022 4.178 182 1HG1 VAL 23 1HG1 VAL 23 1.932 -1.364 5.619 183 2HG1 VAL 23 2HG1 VAL 23 1.192 -2.432 4.426 184 3HG1 VAL 23 3HG1 VAL 23 0.552 -2.366 6.067 185 1HG2 VAL 23 1HG2 VAL 23 -1.829 -0.433 3.881 186 2HG2 VAL 23 2HG2 VAL 23 -1.668 -1.937 4.786 187 3HG2 VAL 23 3HG2 VAL 23 -0.840 -1.744 3.241 188 H LYS 24 H LYS 24 1.689 -0.510 7.405 189 HA LYS 24 HA LYS 24 2.939 2.147 7.202 190 1HB LYS 24 2HB LYS 24 1.914 1.651 9.474 191 2HB LYS 24 1HB LYS 24 3.118 0.383 9.644 192 1HG LYS 24 2HG LYS 24 4.822 2.268 9.155 193 2HG LYS 24 1HG LYS 24 3.493 3.345 9.589 194 1HD LYS 24 2HD LYS 24 3.980 1.096 11.434 195 2HD LYS 24 1HD LYS 24 5.248 2.321 11.368 196 1HE LYS 24 2HE LYS 24 2.797 3.704 11.452 197 2HE LYS 24 1HE LYS 24 2.693 2.424 12.660 198 1HZ LYS 24 1HZ LYS 24 5.130 3.365 13.147 199 2HZ LYS 24 2HZ LYS 24 3.741 3.947 13.918 200 3HZ LYS 24 3HZ LYS 24 4.387 4.782 12.596 201 H LEU 25 H LEU 25 4.572 1.785 5.816 202 HA LEU 25 HA LEU 25 6.049 -0.707 5.885 203 1HB LEU 25 2HB LEU 25 6.019 1.683 4.087 204 2HB LEU 25 1HB LEU 25 7.369 0.565 4.027 205 HG LEU 25 HG LEU 25 4.959 -0.955 3.903 206 1HD1 LEU 25 1HD1 LEU 25 4.407 1.535 2.946 207 2HD1 LEU 25 2HD1 LEU 25 3.606 0.050 2.430 208 3HD1 LEU 25 3HD1 LEU 25 4.949 0.701 1.490 209 1HD2 LEU 25 1HD2 LEU 25 6.723 -0.441 1.551 210 2HD2 LEU 25 2HD2 LEU 25 5.992 -1.948 2.105 211 3HD2 LEU 25 3HD2 LEU 25 7.375 -1.271 2.964 212 H MET 26 H MET 26 8.422 -0.708 5.892 213 HA MET 26 HA MET 26 9.472 1.313 7.760 214 1HB MET 26 2HB MET 26 9.352 -0.961 8.700 215 2HB MET 26 1HB MET 26 10.355 -1.554 7.385 216 1HG MET 26 2HG MET 26 12.056 -1.240 8.783 217 2HG MET 26 1HG MET 26 11.884 0.467 8.383 218 1HE MET 26 1HE MET 26 12.501 -0.355 12.392 219 2HE MET 26 2HE MET 26 13.384 -0.135 10.882 220 3HE MET 26 3HE MET 26 12.601 -1.676 11.229 221 H TYR 27 H TYR 27 10.393 2.776 6.390 222 HA TYR 27 HA TYR 27 12.330 1.760 4.421 223 1HB TYR 27 2HB TYR 27 10.504 3.168 3.520 224 2HB TYR 27 1HB TYR 27 11.022 4.486 4.565 225 HD1 TYR 27 1HD TYR 27 12.556 6.042 3.769 226 HD2 TYR 27 2HD TYR 27 12.283 2.251 1.857 227 HE1 TYR 27 1HE TYR 27 14.108 6.816 2.026 228 HE2 TYR 27 2HE TYR 27 13.835 3.014 0.110 229 HH TYR 27 HH TYR 27 14.585 6.188 -0.424 230 H LYS 28 H LYS 28 14.281 1.650 5.353 231 HA LYS 28 HA LYS 28 16.183 2.232 6.459 232 1HB LYS 28 2HB LYS 28 15.873 4.090 4.653 233 2HB LYS 28 1HB LYS 28 15.493 5.120 6.026 234 1HG LYS 28 2HG LYS 28 17.743 4.154 6.970 235 2HG LYS 28 1HG LYS 28 18.070 3.848 5.263 236 1HD LYS 28 2HD LYS 28 17.745 6.184 4.740 237 2HD LYS 28 1HD LYS 28 17.262 6.522 6.404 238 1HE LYS 28 2HE LYS 28 19.391 6.514 7.162 239 2HE LYS 28 1HE LYS 28 19.885 5.221 6.069 240 1HZ LYS 28 1HZ LYS 28 19.368 7.985 5.140 241 2HZ LYS 28 2HZ LYS 28 20.160 6.741 4.312 242 3HZ LYS 28 3HZ LYS 28 20.895 7.467 5.651 243 H GLY 29 H GLY 29 14.360 1.592 8.245 244 1HA GLY 29 2HA GLY 29 13.742 1.837 10.441 245 2HA GLY 29 1HA GLY 29 15.123 2.914 10.585 246 H GLN 30 H GLN 30 12.608 3.671 8.322 247 HA GLN 30 HA GLN 30 11.521 5.670 10.188 248 1HB GLN 30 2HB GLN 30 13.116 6.669 8.527 249 2HB GLN 30 1HB GLN 30 12.025 6.151 7.250 250 1HG GLN 30 2HG GLN 30 11.411 8.343 7.548 251 2HG GLN 30 1HG GLN 30 10.245 7.495 8.563 252 1HE2 GLN 30 1HE2 GLN 30 12.827 9.737 8.458 253 2HE2 GLN 30 2HE2 GLN 30 12.860 10.124 10.142 254 HA PRO 31 HA PRO 31 7.720 3.509 9.168 255 1HB PRO 31 2HB PRO 31 6.579 6.059 10.209 256 2HB PRO 31 1HB PRO 31 6.185 4.390 10.640 257 1HG PRO 31 2HG PRO 31 7.645 5.903 12.271 258 2HG PRO 31 1HG PRO 31 8.014 4.183 12.050 259 1HD PRO 31 2HD PRO 31 9.414 6.578 10.954 260 2HD PRO 31 1HD PRO 31 10.085 5.026 11.493 261 H MET 32 H MET 32 7.625 3.518 6.955 262 HA MET 32 HA MET 32 7.149 5.973 5.495 263 1HB MET 32 2HB MET 32 8.613 4.263 4.539 264 2HB MET 32 1HB MET 32 7.296 3.101 4.563 265 1HG MET 32 2HG MET 32 6.177 5.095 3.124 266 2HG MET 32 1HG MET 32 7.872 5.272 2.676 267 1HE MET 32 1HE MET 32 8.955 2.037 1.324 268 2HE MET 32 2HE MET 32 9.306 3.651 1.941 269 3HE MET 32 3HE MET 32 8.703 3.447 0.296 270 H THR 33 H THR 33 5.246 6.655 4.662 271 HA THR 33 HA THR 33 2.844 5.313 5.576 272 HB THR 33 HB THR 33 1.803 7.384 4.351 273 HG1 THR 33 1HG THR 33 3.181 9.033 4.000 274 1HG2 THR 33 1HG2 THR 33 1.786 8.572 6.298 275 2HG2 THR 33 2HG2 THR 33 3.470 8.199 6.671 276 3HG2 THR 33 3HG2 THR 33 2.225 6.971 6.896 277 H PHE 34 H PHE 34 1.264 4.430 4.302 278 HA PHE 34 HA PHE 34 1.723 4.353 1.405 279 1HB PHE 34 2HB PHE 34 2.636 2.279 2.485 280 2HB PHE 34 1HB PHE 34 1.007 1.911 3.039 281 HD1 PHE 34 1HD PHE 34 0.216 0.103 1.862 282 HD2 PHE 34 2HD PHE 34 2.321 3.160 -0.219 283 HE1 PHE 34 1HE PHE 34 -0.252 -1.031 -0.270 284 HE2 PHE 34 2HE PHE 34 1.854 2.033 -2.355 285 HZ PHE 34 HZ PHE 34 0.567 -0.065 -2.383 286 H ARG 35 H ARG 35 0.010 5.677 0.968 287 HA ARG 35 HA ARG 35 -2.148 6.488 0.979 288 1HB ARG 35 2HB ARG 35 -3.651 4.987 -0.206 289 2HB ARG 35 1HB ARG 35 -2.038 4.922 -0.897 290 1HG ARG 35 2HG ARG 35 -2.395 2.910 1.147 291 2HG ARG 35 1HG ARG 35 -3.609 2.778 -0.123 292 1HD ARG 35 2HD ARG 35 -0.626 2.891 -0.549 293 2HD ARG 35 1HD ARG 35 -1.615 1.436 -0.609 294 HE ARG 35 HE ARG 35 -2.569 2.188 -2.626 295 1HH1 ARG 35 1HH1 ARG 35 -0.100 4.362 -1.442 296 2HH1 ARG 35 2HH1 ARG 35 0.103 5.154 -2.967 297 1HH2 ARG 35 1HH2 ARG 35 -2.299 3.235 -4.625 298 2HH2 ARG 35 2HH2 ARG 35 -1.144 4.517 -4.770 299 H LEU 36 H LEU 36 -2.195 6.742 3.343 300 HA LEU 36 HA LEU 36 -3.865 4.775 4.730 301 1HB LEU 36 2HB LEU 36 -2.516 7.199 5.906 302 2HB LEU 36 1HB LEU 36 -3.195 5.833 6.771 303 HG LEU 36 HG LEU 36 -1.390 4.478 5.410 304 1HD1 LEU 36 1HD1 LEU 36 -0.502 7.315 5.209 305 2HD1 LEU 36 2HD1 LEU 36 -0.386 6.012 4.027 306 3HD1 LEU 36 3HD1 LEU 36 0.700 6.043 5.415 307 1HD2 LEU 36 1HD2 LEU 36 -0.324 4.284 7.382 308 2HD2 LEU 36 2HD2 LEU 36 -1.645 5.287 7.982 309 3HD2 LEU 36 3HD2 LEU 36 -0.102 6.025 7.552 310 H LEU 37 H LEU 37 -5.953 5.121 5.102 311 HA LEU 37 HA LEU 37 -6.997 7.854 4.736 312 1HB LEU 37 2HB LEU 37 -7.934 5.221 3.784 313 2HB LEU 37 1HB LEU 37 -9.183 6.293 4.386 314 HG LEU 37 HG LEU 37 -8.891 6.461 1.948 315 1HD1 LEU 37 1HD1 LEU 37 -9.495 8.416 3.560 316 2HD1 LEU 37 2HD1 LEU 37 -9.165 8.744 1.859 317 3HD1 LEU 37 3HD1 LEU 37 -7.923 9.050 3.071 318 1HD2 LEU 37 1HD2 LEU 37 -6.548 5.980 1.735 319 2HD2 LEU 37 2HD2 LEU 37 -6.124 7.403 2.686 320 3HD2 LEU 37 3HD2 LEU 37 -6.852 7.594 1.091 321 H LEU 38 H LEU 38 -6.653 8.282 6.981 322 HA LEU 38 HA LEU 38 -7.781 6.708 9.043 323 1HB LEU 38 2HB LEU 38 -6.661 9.462 8.843 324 2HB LEU 38 1HB LEU 38 -7.595 9.046 10.268 325 HG LEU 38 HG LEU 38 -6.056 7.244 10.801 326 1HD1 LEU 38 1HD1 LEU 38 -5.048 7.829 8.085 327 2HD1 LEU 38 2HD1 LEU 38 -5.171 6.295 8.948 328 3HD1 LEU 38 3HD1 LEU 38 -3.850 7.407 9.307 329 1HD2 LEU 38 1HD2 LEU 38 -3.942 8.657 11.050 330 2HD2 LEU 38 2HD2 LEU 38 -5.420 9.265 11.797 331 3HD2 LEU 38 3HD2 LEU 38 -4.860 9.945 10.268 332 H VAL 39 H VAL 39 -9.881 6.355 9.306 333 HA VAL 39 HA VAL 39 -11.712 8.602 9.418 334 HB VAL 39 HB VAL 39 -12.345 6.293 7.581 335 1HG1 VAL 39 1HG1 VAL 39 -14.119 7.984 6.831 336 2HG1 VAL 39 2HG1 VAL 39 -13.758 8.829 8.335 337 3HG1 VAL 39 3HG1 VAL 39 -14.359 7.172 8.378 338 1HG2 VAL 39 1HG2 VAL 39 -11.411 9.079 6.900 339 2HG2 VAL 39 2HG2 VAL 39 -12.064 7.924 5.739 340 3HG2 VAL 39 3HG2 VAL 39 -10.556 7.569 6.581 341 H ASP 40 H ASP 40 -13.106 8.327 11.039 342 HA ASP 40 HA ASP 40 -13.828 5.607 11.862 343 1HB ASP 40 2HB ASP 40 -11.931 6.935 13.246 344 2HB ASP 40 1HB ASP 40 -13.369 7.548 14.056 345 H THR 41 H THR 41 -15.947 5.634 11.399 346 HA THR 41 HA THR 41 -17.628 7.512 12.853 347 HB THR 41 HB THR 41 -18.957 7.539 10.485 348 HG1 THR 41 1HG THR 41 -16.213 7.745 9.813 349 1HG2 THR 41 1HG2 THR 41 -17.140 9.687 10.298 350 2HG2 THR 41 2HG2 THR 41 -17.477 9.418 12.008 351 3HG2 THR 41 3HG2 THR 41 -18.804 9.700 10.880 352 HA PRO 42 HA PRO 42 -19.095 3.120 13.157 353 1HB PRO 42 2HB PRO 42 -20.453 4.480 15.436 354 2HB PRO 42 1HB PRO 42 -19.633 2.914 15.384 355 1HG PRO 42 2HG PRO 42 -18.466 5.015 16.526 356 2HG PRO 42 1HG PRO 42 -17.524 3.863 15.561 357 1HD PRO 42 2HD PRO 42 -18.454 6.610 14.858 358 2HD PRO 42 1HD PRO 42 -16.950 5.778 14.416 359 H GLU 43 H GLU 43 -20.731 6.212 13.091 360 HA GLU 43 HA GLU 43 -23.351 5.091 12.694 361 1HB GLU 43 2HB GLU 43 -23.979 7.470 12.195 362 2HB GLU 43 1HB GLU 43 -23.245 7.219 13.773 363 1HG GLU 43 2HG GLU 43 -21.191 8.156 13.070 364 2HG GLU 43 1HG GLU 43 -21.685 8.137 11.378 365 H THR 44 H THR 44 -20.732 6.233 10.684 366 HA THR 44 HA THR 44 -22.059 5.129 8.348 367 HB THR 44 HB THR 44 -21.019 7.961 8.256 368 HG1 THR 44 1HG THR 44 -23.217 8.569 8.261 369 1HG2 THR 44 1HG2 THR 44 -21.189 6.589 6.129 370 2HG2 THR 44 2HG2 THR 44 -22.019 8.145 6.154 371 3HG2 THR 44 3HG2 THR 44 -22.937 6.653 6.362 372 H LYS 45 H LYS 45 -20.599 3.832 7.471 373 HA LYS 45 HA LYS 45 -17.881 4.804 7.049 374 1HB LYS 45 2HB LYS 45 -18.056 3.465 9.239 375 2HB LYS 45 1HB LYS 45 -18.303 2.060 8.214 376 1HG LYS 45 2HG LYS 45 -16.074 1.882 8.361 377 2HG LYS 45 1HG LYS 45 -16.089 3.094 7.079 378 1HD LYS 45 2HD LYS 45 -16.300 4.549 9.449 379 2HD LYS 45 1HD LYS 45 -15.108 3.293 9.791 380 1HE LYS 45 2HE LYS 45 -15.049 5.257 7.502 381 2HE LYS 45 1HE LYS 45 -14.013 5.276 8.928 382 1HZ LYS 45 1HZ LYS 45 -12.654 3.795 8.013 383 2HZ LYS 45 2HZ LYS 45 -13.469 4.044 6.553 384 3HZ LYS 45 3HZ LYS 45 -13.920 2.766 7.565 385 H HIS 46 H HIS 46 -20.057 2.016 6.632 386 HA HIS 46 HA HIS 46 -19.154 1.854 3.835 387 1HB HIS 46 2HB HIS 46 -19.651 -0.685 4.129 388 2HB HIS 46 1HB HIS 46 -18.123 -0.037 4.716 389 HD1 HIS 46 1HD HIS 46 -21.556 -0.959 6.055 390 HD2 HIS 46 2HD HIS 46 -17.620 -0.580 7.332 391 HE1 HIS 46 1HE HIS 46 -21.535 -1.798 8.426 392 HE2 HIS 46 2HE HIS 46 -19.125 -1.643 9.147 393 HA PRO 47 HA PRO 47 -23.768 2.134 4.006 394 1HB PRO 47 2HB PRO 47 -24.085 4.275 2.433 395 2HB PRO 47 1HB PRO 47 -23.643 4.441 4.139 396 1HG PRO 47 2HG PRO 47 -21.907 4.604 1.706 397 2HG PRO 47 1HG PRO 47 -21.894 5.618 3.162 398 1HD PRO 47 2HD PRO 47 -20.158 3.528 2.709 399 2HD PRO 47 1HD PRO 47 -20.588 4.140 4.318 400 H LYS 48 H LYS 48 -21.476 1.282 1.762 401 HA LYS 48 HA LYS 48 -23.488 0.869 -0.345 402 1HB LYS 48 2HB LYS 48 -20.653 1.618 -0.415 403 2HB LYS 48 1HB LYS 48 -21.073 0.333 -1.541 404 1HG LYS 48 2HG LYS 48 -23.074 2.312 -1.756 405 2HG LYS 48 1HG LYS 48 -21.514 3.136 -1.769 406 1HD LYS 48 2HD LYS 48 -21.070 0.987 -3.420 407 2HD LYS 48 1HD LYS 48 -22.746 1.406 -3.780 408 1HE LYS 48 2HE LYS 48 -22.013 3.057 -5.072 409 2HE LYS 48 1HE LYS 48 -21.326 3.833 -3.645 410 1HZ LYS 48 1HZ LYS 48 -19.251 3.065 -4.113 411 2HZ LYS 48 2HZ LYS 48 -19.845 3.188 -5.692 412 3HZ LYS 48 3HZ LYS 48 -19.801 1.683 -4.920 413 H LYS 49 H LYS 49 -20.415 -0.839 -0.181 414 HA LYS 49 HA LYS 49 -21.930 -3.342 0.122 415 1HB LYS 49 2HB LYS 49 -19.904 -2.527 -1.710 416 2HB LYS 49 1HB LYS 49 -19.251 -3.832 -0.729 417 1HG LYS 49 2HG LYS 49 -21.971 -4.266 -1.761 418 2HG LYS 49 1HG LYS 49 -20.692 -4.196 -2.975 419 1HD LYS 49 2HD LYS 49 -19.443 -5.913 -1.732 420 2HD LYS 49 1HD LYS 49 -20.757 -6.001 -0.556 421 1HE LYS 49 2HE LYS 49 -21.928 -6.298 -3.101 422 2HE LYS 49 1HE LYS 49 -20.495 -7.323 -3.086 423 1HZ LYS 49 1HZ LYS 49 -21.401 -8.096 -0.825 424 2HZ LYS 49 2HZ LYS 49 -22.127 -8.689 -2.232 425 3HZ LYS 49 3HZ LYS 49 -22.874 -7.451 -1.353 426 H GLY 50 H GLY 50 -19.093 -1.574 1.245 427 1HA GLY 50 2HA GLY 50 -18.096 -1.657 3.335 428 2HA GLY 50 1HA GLY 50 -19.205 -2.945 3.778 429 H VAL 51 H VAL 51 -17.999 -4.016 0.965 430 HA VAL 51 HA VAL 51 -15.621 -5.217 2.208 431 HB VAL 51 HB VAL 51 -16.119 -7.333 1.088 432 1HG1 VAL 51 1HG1 VAL 51 -17.676 -6.145 3.216 433 2HG1 VAL 51 2HG1 VAL 51 -16.992 -7.766 3.088 434 3HG1 VAL 51 3HG1 VAL 51 -18.571 -7.417 2.387 435 1HG2 VAL 51 1HG2 VAL 51 -17.705 -5.881 -0.558 436 2HG2 VAL 51 2HG2 VAL 51 -18.909 -6.625 0.496 437 3HG2 VAL 51 3HG2 VAL 51 -17.778 -7.638 -0.404 438 H GLU 52 H GLU 52 -15.954 -2.965 0.339 439 HA GLU 52 HA GLU 52 -14.965 -3.913 -2.210 440 1HB GLU 52 2HB GLU 52 -15.945 -1.368 -1.108 441 2HB GLU 52 1HB GLU 52 -14.613 -1.188 -2.242 442 1HG GLU 52 2HG GLU 52 -15.892 -2.517 -3.888 443 2HG GLU 52 1HG GLU 52 -17.242 -2.557 -2.755 444 H LYS 53 H LYS 53 -13.778 -2.312 0.652 445 HA LYS 53 HA LYS 53 -11.056 -3.031 -0.063 446 1HB LYS 53 2HB LYS 53 -10.335 -0.737 0.852 447 2HB LYS 53 1HB LYS 53 -10.893 -0.853 -0.808 448 1HG LYS 53 2HG LYS 53 -12.822 0.300 -0.395 449 2HG LYS 53 1HG LYS 53 -12.886 -0.202 1.294 450 1HD LYS 53 2HD LYS 53 -10.953 1.278 1.760 451 2HD LYS 53 1HD LYS 53 -11.022 1.839 0.088 452 1HE LYS 53 2HE LYS 53 -12.157 3.314 1.789 453 2HE LYS 53 1HE LYS 53 -13.142 2.831 0.409 454 1HZ LYS 53 1HZ LYS 53 -13.972 2.638 2.914 455 2HZ LYS 53 2HZ LYS 53 -13.267 1.110 2.752 456 3HZ LYS 53 3HZ LYS 53 -14.496 1.589 1.694 457 H TYR 54 H TYR 54 -13.344 -3.528 1.980 458 HA TYR 54 HA TYR 54 -11.604 -3.425 4.359 459 1HB TYR 54 2HB TYR 54 -13.542 -1.815 4.444 460 2HB TYR 54 1HB TYR 54 -14.608 -3.215 4.356 461 HD1 TYR 54 1HD TYR 54 -14.285 -5.025 6.185 462 HD2 TYR 54 2HD TYR 54 -12.855 -1.032 6.527 463 HE1 TYR 54 1HE TYR 54 -14.185 -5.276 8.631 464 HE2 TYR 54 2HE TYR 54 -12.749 -1.273 8.973 465 HH TYR 54 HH TYR 54 -12.536 -3.154 10.631 466 H GLY 55 H GLY 55 -13.808 -5.167 2.352 467 1HA GLY 55 2HA GLY 55 -14.641 -7.271 3.885 468 2HA GLY 55 1HA GLY 55 -14.235 -7.399 2.177 469 HA PRO 56 HA PRO 56 -11.389 -10.002 5.017 470 1HB PRO 56 2HB PRO 56 -12.277 -12.066 3.071 471 2HB PRO 56 1HB PRO 56 -12.041 -12.189 4.818 472 1HG PRO 56 2HG PRO 56 -14.492 -12.077 3.789 473 2HG PRO 56 1HG PRO 56 -14.100 -11.229 5.296 474 1HD PRO 56 2HD PRO 56 -14.424 -10.134 2.533 475 2HD PRO 56 1HD PRO 56 -14.932 -9.441 4.085 476 H GLU 57 H GLU 57 -11.464 -8.730 1.926 477 HA GLU 57 HA GLU 57 -9.088 -10.194 1.057 478 1HB GLU 57 2HB GLU 57 -11.223 -8.751 -0.304 479 2HB GLU 57 1HB GLU 57 -9.625 -8.353 -0.925 480 1HG GLU 57 2HG GLU 57 -9.310 -10.941 -0.951 481 2HG GLU 57 1HG GLU 57 -11.072 -10.955 -0.939 482 H ALA 58 H ALA 58 -10.076 -6.762 1.595 483 HA ALA 58 HA ALA 58 -7.812 -5.424 0.984 484 1HB ALA 58 1HB ALA 58 -8.456 -3.740 2.461 485 2HB ALA 58 2HB ALA 58 -9.125 -4.885 3.624 486 3HB ALA 58 3HB ALA 58 -9.967 -4.578 2.105 487 H SER 59 H SER 59 -8.345 -7.049 4.114 488 HA SER 59 HA SER 59 -5.790 -6.536 5.164 489 1HB SER 59 2HB SER 59 -6.309 -8.165 6.836 490 2HB SER 59 1HB SER 59 -7.828 -7.366 6.432 491 HG SER 59 HG SER 59 -6.940 -9.948 5.753 492 H ALA 60 H ALA 60 -7.077 -9.348 3.426 493 HA ALA 60 HA ALA 60 -4.918 -11.037 3.474 494 1HB ALA 60 1HB ALA 60 -6.919 -11.848 2.549 495 2HB ALA 60 2HB ALA 60 -5.762 -11.834 1.217 496 3HB ALA 60 3HB ALA 60 -6.978 -10.562 1.343 497 H PHE 61 H PHE 61 -5.425 -8.217 1.430 498 HA PHE 61 HA PHE 61 -3.454 -8.567 -0.472 499 1HB PHE 61 2HB PHE 61 -5.029 -6.723 -0.581 500 2HB PHE 61 1HB PHE 61 -4.354 -6.012 0.880 501 HD1 PHE 61 1HD PHE 61 -2.646 -4.447 0.732 502 HD2 PHE 61 2HD PHE 61 -3.474 -6.953 -2.606 503 HE1 PHE 61 1HE PHE 61 -1.081 -3.133 -0.637 504 HE2 PHE 61 2HE PHE 61 -1.909 -5.643 -3.981 505 HZ PHE 61 HZ PHE 61 -0.709 -3.731 -2.996 506 H THR 62 H THR 62 -3.084 -6.713 2.558 507 HA THR 62 HA THR 62 -0.215 -6.721 2.322 508 HB THR 62 HB THR 62 -0.575 -5.847 4.821 509 HG1 THR 62 1HG THR 62 -2.707 -6.091 5.085 510 1HG2 THR 62 1HG2 THR 62 0.219 -4.086 3.732 511 2HG2 THR 62 2HG2 THR 62 -1.464 -3.628 3.470 512 3HG2 THR 62 3HG2 THR 62 -0.595 -4.539 2.235 513 H LYS 63 H LYS 63 -2.652 -8.562 3.999 514 HA LYS 63 HA LYS 63 -1.049 -9.818 5.925 515 1HB LYS 63 2HB LYS 63 -3.587 -9.813 5.766 516 2HB LYS 63 1HB LYS 63 -3.417 -11.087 4.567 517 1HG LYS 63 2HG LYS 63 -3.686 -12.389 6.391 518 2HG LYS 63 1HG LYS 63 -1.940 -12.162 6.500 519 1HD LYS 63 2HD LYS 63 -2.589 -11.654 8.649 520 2HD LYS 63 1HD LYS 63 -2.606 -10.053 7.904 521 1HE LYS 63 2HE LYS 63 -4.609 -10.564 9.306 522 2HE LYS 63 1HE LYS 63 -4.976 -10.120 7.639 523 1HZ LYS 63 1HZ LYS 63 -6.154 -12.137 8.678 524 2HZ LYS 63 2HZ LYS 63 -4.701 -12.955 8.398 525 3HZ LYS 63 3HZ LYS 63 -5.552 -12.277 7.103 526 H LYS 64 H LYS 64 -1.267 -10.263 2.514 527 HA LYS 64 HA LYS 64 -0.057 -12.903 2.589 528 1HB LYS 64 2HB LYS 64 -1.809 -12.387 0.911 529 2HB LYS 64 1HB LYS 64 -0.766 -11.146 0.228 530 1HG LYS 64 2HG LYS 64 0.715 -12.695 -0.656 531 2HG LYS 64 1HG LYS 64 0.176 -13.976 0.431 532 1HD LYS 64 2HD LYS 64 -1.708 -12.790 -1.573 533 2HD LYS 64 1HD LYS 64 -0.553 -14.036 -2.057 534 1HE LYS 64 2HE LYS 64 -1.526 -15.644 -0.696 535 2HE LYS 64 1HE LYS 64 -2.303 -14.444 0.335 536 1HZ LYS 64 1HZ LYS 64 -3.476 -13.924 -1.992 537 2HZ LYS 64 2HZ LYS 64 -4.099 -15.022 -0.866 538 3HZ LYS 64 3HZ LYS 64 -3.197 -15.581 -2.182 539 H MET 65 H MET 65 0.721 -9.564 1.937 540 HA MET 65 HA MET 65 3.210 -9.859 0.714 541 1HB MET 65 2HB MET 65 1.653 -7.742 1.816 542 2HB MET 65 1HB MET 65 3.294 -7.588 2.427 543 1HG MET 65 2HG MET 65 4.194 -7.428 0.251 544 2HG MET 65 1HG MET 65 2.677 -7.939 -0.489 545 1HE MET 65 1HE MET 65 0.298 -5.573 0.736 546 2HE MET 65 2HE MET 65 0.648 -6.869 -0.408 547 3HE MET 65 3HE MET 65 0.572 -5.198 -0.966 548 H VAL 66 H VAL 66 2.267 -10.620 3.907 549 HA VAL 66 HA VAL 66 5.081 -10.665 4.776 550 HB VAL 66 HB VAL 66 4.272 -10.545 7.077 551 1HG1 VAL 66 1HG1 VAL 66 4.002 -8.274 7.086 552 2HG1 VAL 66 2HG1 VAL 66 2.853 -8.296 5.746 553 3HG1 VAL 66 3HG1 VAL 66 4.578 -8.498 5.435 554 1HG2 VAL 66 1HG2 VAL 66 1.567 -10.498 5.766 555 2HG2 VAL 66 2HG2 VAL 66 1.835 -9.907 7.406 556 3HG2 VAL 66 3HG2 VAL 66 2.162 -11.595 7.011 557 H GLU 67 H GLU 67 2.008 -12.437 4.875 558 HA GLU 67 HA GLU 67 3.117 -14.708 6.207 559 1HB GLU 67 2HB GLU 67 0.623 -13.871 5.984 560 2HB GLU 67 1HB GLU 67 0.631 -14.911 4.565 561 1HG GLU 67 2HG GLU 67 1.272 -16.809 5.946 562 2HG GLU 67 1HG GLU 67 1.300 -15.772 7.372 563 H ASN 68 H ASN 68 1.749 -14.451 2.925 564 HA ASN 68 HA ASN 68 3.153 -16.824 2.090 565 1HB ASN 68 2HB ASN 68 0.823 -15.685 1.296 566 2HB ASN 68 1HB ASN 68 1.905 -15.105 0.032 567 1HD2 ASN 68 1HD2 ASN 68 2.557 -16.469 -1.527 568 2HD2 ASN 68 2HD2 ASN 68 2.107 -18.135 -1.619 569 H ALA 69 H ALA 69 3.345 -13.362 1.402 570 HA ALA 69 HA ALA 69 5.465 -13.571 -0.478 571 1HB ALA 69 1HB ALA 69 3.754 -11.558 0.430 572 2HB ALA 69 2HB ALA 69 4.990 -11.428 -0.825 573 3HB ALA 69 3HB ALA 69 5.382 -11.012 0.843 574 H LYS 70 H LYS 70 7.441 -11.914 0.159 575 HA LYS 70 HA LYS 70 8.544 -12.887 2.707 576 1HB LYS 70 2HB LYS 70 9.383 -13.841 0.306 577 2HB LYS 70 1HB LYS 70 10.480 -12.483 0.518 578 1HG LYS 70 2HG LYS 70 10.615 -13.641 2.964 579 2HG LYS 70 1HG LYS 70 10.349 -15.048 1.931 580 1HD LYS 70 2HD LYS 70 12.224 -14.033 0.467 581 2HD LYS 70 1HD LYS 70 12.611 -13.082 1.903 582 1HE LYS 70 2HE LYS 70 12.514 -15.424 3.086 583 2HE LYS 70 1HE LYS 70 12.813 -16.023 1.455 584 1HZ LYS 70 1HZ LYS 70 14.892 -15.137 1.409 585 2HZ LYS 70 2HZ LYS 70 14.771 -15.421 3.072 586 3HZ LYS 70 3HZ LYS 70 14.516 -13.865 2.459 587 H LYS 71 H LYS 71 9.162 -10.580 0.054 588 HA LYS 71 HA LYS 71 9.368 -8.419 1.971 589 1HB LYS 71 2HB LYS 71 11.694 -9.722 1.340 590 2HB LYS 71 1HB LYS 71 11.680 -8.423 0.156 591 1HG LYS 71 2HG LYS 71 12.028 -6.824 1.706 592 2HG LYS 71 1HG LYS 71 11.062 -7.646 2.932 593 1HD LYS 71 2HD LYS 71 12.835 -9.066 3.531 594 2HD LYS 71 1HD LYS 71 13.740 -8.694 2.062 595 1HE LYS 71 2HE LYS 71 14.890 -7.299 3.394 596 2HE LYS 71 1HE LYS 71 13.507 -6.228 3.168 597 1HZ LYS 71 1HZ LYS 71 14.330 -7.725 5.516 598 2HZ LYS 71 2HZ LYS 71 12.666 -7.699 5.217 599 3HZ LYS 71 3HZ LYS 71 13.511 -6.247 5.404 600 H ILE 72 H ILE 72 9.942 -6.311 0.735 601 HA ILE 72 HA ILE 72 8.933 -6.338 -2.009 602 HB ILE 72 HB ILE 72 7.788 -4.446 0.041 603 1HG1 ILE 72 2HG1 ILE 72 5.674 -5.948 -0.557 604 2HG1 ILE 72 1HG1 ILE 72 6.921 -7.167 -0.806 605 1HG2 ILE 72 1HG2 ILE 72 6.660 -3.468 -1.626 606 2HG2 ILE 72 2HG2 ILE 72 6.323 -5.003 -2.429 607 3HG2 ILE 72 3HG2 ILE 72 7.878 -4.206 -2.665 608 1HD1 ILE 72 1HD1 ILE 72 7.269 -7.413 1.381 609 2HD1 ILE 72 2HD1 ILE 72 5.716 -6.599 1.567 610 3HD1 ILE 72 3HD1 ILE 72 7.215 -5.676 1.684 611 H GLU 73 H GLU 73 9.637 -4.641 -3.275 612 HA GLU 73 HA GLU 73 11.622 -2.855 -2.026 613 1HB GLU 73 2HB GLU 73 12.821 -2.861 -4.162 614 2HB GLU 73 1HB GLU 73 12.666 -4.490 -3.518 615 1HG GLU 73 2HG GLU 73 10.427 -4.046 -5.167 616 2HG GLU 73 1HG GLU 73 11.842 -3.466 -6.045 617 H VAL 74 H VAL 74 11.961 -0.792 -3.252 618 HA VAL 74 HA VAL 74 9.369 0.213 -4.221 619 HB VAL 74 HB VAL 74 10.130 1.279 -2.145 620 1HG1 VAL 74 1HG1 VAL 74 12.315 2.776 -3.397 621 2HG1 VAL 74 2HG1 VAL 74 12.646 1.060 -3.165 622 3HG1 VAL 74 3HG1 VAL 74 12.199 2.066 -1.787 623 1HG2 VAL 74 1HG2 VAL 74 9.082 2.502 -4.310 624 2HG2 VAL 74 2HG2 VAL 74 10.529 3.478 -4.061 625 3HG2 VAL 74 3HG2 VAL 74 9.350 3.302 -2.762 626 H GLU 75 H GLU 75 9.346 0.314 -6.366 627 HA GLU 75 HA GLU 75 11.793 0.867 -7.846 628 1HB GLU 75 2HB GLU 75 9.024 0.014 -8.678 629 2HB GLU 75 1HB GLU 75 10.255 0.474 -9.845 630 1HG GLU 75 2HG GLU 75 11.705 -1.299 -8.627 631 2HG GLU 75 1HG GLU 75 10.154 -1.898 -8.039 632 H PHE 76 H PHE 76 12.293 2.771 -8.699 633 HA PHE 76 HA PHE 76 12.253 5.009 -9.079 634 1HB PHE 76 2HB PHE 76 10.134 5.746 -10.399 635 2HB PHE 76 1HB PHE 76 11.259 4.607 -11.125 636 HD1 PHE 76 1HD PHE 76 7.923 5.076 -9.738 637 HD2 PHE 76 2HD PHE 76 10.657 2.272 -11.404 638 HE1 PHE 76 1HE PHE 76 6.074 3.493 -10.095 639 HE2 PHE 76 2HE PHE 76 8.813 0.683 -11.765 640 HZ PHE 76 HZ PHE 76 6.518 1.292 -11.112 641 H ASP 77 H ASP 77 11.035 7.111 -8.799 642 HA ASP 77 HA ASP 77 9.851 7.079 -6.134 643 1HB ASP 77 2HB ASP 77 10.167 9.575 -6.282 644 2HB ASP 77 1HB ASP 77 11.652 8.633 -6.384 645 H LYS 78 H LYS 78 8.854 7.274 -9.370 646 HA LYS 78 HA LYS 78 6.751 7.387 -10.250 647 1HB LYS 78 2HB LYS 78 6.191 7.056 -7.531 648 2HB LYS 78 1HB LYS 78 5.249 8.459 -8.016 649 1HG LYS 78 2HG LYS 78 5.133 6.149 -9.835 650 2HG LYS 78 1HG LYS 78 4.399 5.923 -8.248 651 1HD LYS 78 2HD LYS 78 2.644 7.180 -8.800 652 2HD LYS 78 1HD LYS 78 3.681 8.486 -9.373 653 1HE LYS 78 2HE LYS 78 3.185 6.023 -11.016 654 2HE LYS 78 1HE LYS 78 2.083 7.399 -11.055 655 1HZ LYS 78 1HZ LYS 78 4.106 7.188 -12.709 656 2HZ LYS 78 2HZ LYS 78 4.930 7.937 -11.436 657 3HZ LYS 78 3HZ LYS 78 3.587 8.692 -12.131 658 H GLY 79 H GLY 79 8.455 9.911 -8.841 659 1HA GLY 79 2HA GLY 79 8.601 11.994 -10.029 660 2HA GLY 79 1HA GLY 79 6.893 11.847 -10.409 661 H GLN 80 H GLN 80 5.367 12.033 -8.588 662 HA GLN 80 HA GLN 80 6.367 13.996 -6.640 663 1HB GLN 80 2HB GLN 80 3.930 13.783 -8.229 664 2HB GLN 80 1HB GLN 80 3.598 14.074 -6.527 665 1HG GLN 80 2HG GLN 80 4.423 16.166 -6.582 666 2HG GLN 80 1HG GLN 80 5.696 15.751 -7.728 667 1HE2 GLN 80 1HE2 GLN 80 5.021 17.864 -8.617 668 2HE2 GLN 80 2HE2 GLN 80 3.734 17.883 -9.770 669 H ARG 81 H ARG 81 6.805 13.128 -4.730 670 HA ARG 81 HA ARG 81 5.098 10.946 -3.735 671 1HB ARG 81 2HB ARG 81 7.981 11.610 -3.405 672 2HB ARG 81 1HB ARG 81 7.165 10.847 -2.048 673 1HG ARG 81 2HG ARG 81 6.353 9.185 -3.939 674 2HG ARG 81 1HG ARG 81 7.824 9.760 -4.727 675 1HD ARG 81 2HD ARG 81 8.257 9.125 -1.928 676 2HD ARG 81 1HD ARG 81 7.637 7.744 -2.832 677 HE ARG 81 HE ARG 81 9.627 7.626 -3.969 678 1HH1 ARG 81 1HH1 ARG 81 9.466 10.666 -2.260 679 2HH1 ARG 81 2HH1 ARG 81 11.120 11.070 -2.571 680 1HH2 ARG 81 1HH2 ARG 81 11.802 8.158 -4.377 681 2HH2 ARG 81 2HH2 ARG 81 12.446 9.648 -3.774 682 H THR 82 H THR 82 6.352 14.127 -3.049 683 HA THR 82 HA THR 82 5.197 14.156 -0.382 684 HB THR 82 HB THR 82 6.173 16.420 -0.228 685 HG1 THR 82 1HG THR 82 5.969 16.876 -2.511 686 1HG2 THR 82 1HG2 THR 82 7.596 14.495 0.330 687 2HG2 THR 82 2HG2 THR 82 8.507 15.861 -0.313 688 3HG2 THR 82 3HG2 THR 82 8.169 14.465 -1.337 689 H ASP 83 H ASP 83 4.220 16.575 0.022 690 HA ASP 83 HA ASP 83 2.506 18.044 -0.343 691 1HB ASP 83 2HB ASP 83 3.389 18.002 -2.766 692 2HB ASP 83 1HB ASP 83 2.065 16.886 -3.088 693 H LYS 84 H LYS 84 1.695 15.047 -2.102 694 HA LYS 84 HA LYS 84 -0.993 14.999 -1.260 695 1HB LYS 84 2HB LYS 84 -0.979 12.659 -2.069 696 2HB LYS 84 1HB LYS 84 -0.287 13.783 -3.229 697 1HG LYS 84 2HG LYS 84 1.939 13.033 -1.911 698 2HG LYS 84 1HG LYS 84 0.967 11.568 -1.755 699 1HD LYS 84 2HD LYS 84 2.286 11.392 -3.752 700 2HD LYS 84 1HD LYS 84 0.600 11.623 -4.218 701 1HE LYS 84 2HE LYS 84 1.718 14.194 -3.985 702 2HE LYS 84 1HE LYS 84 2.901 13.217 -4.855 703 1HZ LYS 84 1HZ LYS 84 0.679 12.495 -6.106 704 2HZ LYS 84 2HZ LYS 84 1.626 13.807 -6.600 705 3HZ LYS 84 3HZ LYS 84 0.242 14.068 -5.664 706 H TYR 85 H TYR 85 1.892 14.209 0.384 707 HA TYR 85 HA TYR 85 0.633 13.707 2.825 708 1HB TYR 85 2HB TYR 85 0.394 11.498 1.211 709 2HB TYR 85 1HB TYR 85 1.849 11.127 2.129 710 HD1 TYR 85 1HD TYR 85 1.745 10.920 4.585 711 HD2 TYR 85 2HD TYR 85 -1.762 11.518 2.253 712 HE1 TYR 85 1HE TYR 85 0.365 10.200 6.489 713 HE2 TYR 85 2HE TYR 85 -3.152 10.801 4.150 714 HH TYR 85 HH TYR 85 -3.053 10.585 6.532 715 H GLY 86 H GLY 86 3.439 13.175 0.780 716 1HA GLY 86 2HA GLY 86 5.540 14.210 1.438 717 2HA GLY 86 1HA GLY 86 5.146 13.808 3.102 718 H ARG 87 H ARG 87 4.157 11.148 1.696 719 HA ARG 87 HA ARG 87 6.271 9.726 0.665 720 1HB ARG 87 2HB ARG 87 6.928 10.394 3.264 721 2HB ARG 87 1HB ARG 87 6.287 8.768 3.429 722 1HG ARG 87 2HG ARG 87 8.255 7.983 2.805 723 2HG ARG 87 1HG ARG 87 7.984 8.683 1.207 724 1HD ARG 87 2HD ARG 87 10.047 9.555 1.895 725 2HD ARG 87 1HD ARG 87 8.891 10.853 2.195 726 HE ARG 87 HE ARG 87 9.035 9.455 4.552 727 1HH1 ARG 87 1HH1 ARG 87 11.308 11.132 2.503 728 2HH1 ARG 87 2HH1 ARG 87 12.356 11.569 3.811 729 1HH2 ARG 87 1HH2 ARG 87 10.410 10.029 6.274 730 2HH2 ARG 87 2HH2 ARG 87 11.847 10.943 5.951 731 H GLY 88 H GLY 88 3.297 9.915 0.872 732 1HA GLY 88 2HA GLY 88 2.491 7.350 1.946 733 2HA GLY 88 1HA GLY 88 1.444 8.547 1.203 734 H LEU 89 H LEU 89 2.491 8.876 -1.277 735 HA LEU 89 HA LEU 89 1.643 6.475 -2.575 736 1HB LEU 89 2HB LEU 89 2.227 9.223 -3.321 737 2HB LEU 89 1HB LEU 89 2.817 8.083 -4.515 738 HG LEU 89 HG LEU 89 0.276 7.153 -4.036 739 1HD1 LEU 89 1HD1 LEU 89 0.268 9.666 -2.898 740 2HD1 LEU 89 2HD1 LEU 89 -1.147 8.752 -3.425 741 3HD1 LEU 89 3HD1 LEU 89 -0.408 9.935 -4.506 742 1HD2 LEU 89 1HD2 LEU 89 0.956 7.212 -6.231 743 2HD2 LEU 89 2HD2 LEU 89 1.520 8.880 -6.126 744 3HD2 LEU 89 3HD2 LEU 89 -0.207 8.538 -6.200 745 H ALA 90 H ALA 90 2.900 4.741 -2.656 746 HA ALA 90 HA ALA 90 5.605 5.021 -3.715 747 1HB ALA 90 1HB ALA 90 5.147 3.294 -1.302 748 2HB ALA 90 2HB ALA 90 5.648 4.980 -1.165 749 3HB ALA 90 3HB ALA 90 6.675 3.819 -2.007 750 H TYR 91 H TYR 91 5.850 3.638 -5.341 751 HA TYR 91 HA TYR 91 3.925 1.711 -6.029 752 1HB TYR 91 2HB TYR 91 6.459 2.668 -7.094 753 2HB TYR 91 1HB TYR 91 6.253 0.937 -7.343 754 HD1 TYR 91 1HD TYR 91 4.183 4.044 -7.618 755 HD2 TYR 91 2HD TYR 91 5.287 0.311 -9.337 756 HE1 TYR 91 1HE TYR 91 2.721 4.505 -9.541 757 HE2 TYR 91 2HE TYR 91 3.829 0.762 -11.265 758 HH TYR 91 HH TYR 91 1.923 2.107 -11.859 759 H ILE 92 H ILE 92 3.504 -0.080 -4.932 760 HA ILE 92 HA ILE 92 5.544 -1.370 -3.331 761 HB ILE 92 HB ILE 92 3.246 -1.133 -2.470 762 1HG1 ILE 92 2HG1 ILE 92 3.109 -3.944 -2.390 763 2HG1 ILE 92 1HG1 ILE 92 4.817 -3.555 -2.551 764 1HG2 ILE 92 1HG2 ILE 92 2.109 -1.435 -4.657 765 2HG2 ILE 92 2HG2 ILE 92 1.417 -2.408 -3.360 766 3HG2 ILE 92 3HG2 ILE 92 2.468 -3.158 -4.561 767 1HD1 ILE 92 1HD1 ILE 92 4.405 -1.908 -0.625 768 2HD1 ILE 92 2HD1 ILE 92 4.480 -3.633 -0.263 769 3HD1 ILE 92 3HD1 ILE 92 2.917 -2.820 -0.366 770 H TYR 93 H TYR 93 6.772 -3.004 -3.977 771 HA TYR 93 HA TYR 93 5.808 -4.765 -6.118 772 1HB TYR 93 2HB TYR 93 8.345 -3.181 -6.048 773 2HB TYR 93 1HB TYR 93 8.353 -4.765 -6.816 774 HD1 TYR 93 1HD TYR 93 8.236 -1.475 -7.587 775 HD2 TYR 93 2HD TYR 93 5.985 -5.014 -8.302 776 HE1 TYR 93 1HE TYR 93 7.331 -0.475 -9.642 777 HE2 TYR 93 2HE TYR 93 5.073 -4.024 -10.360 778 HH TYR 93 HH TYR 93 5.290 -0.758 -11.081 779 H ALA 94 H ALA 94 5.375 -6.344 -4.551 780 HA ALA 94 HA ALA 94 7.429 -7.240 -2.748 781 1HB ALA 94 1HB ALA 94 4.911 -7.292 -2.336 782 2HB ALA 94 2HB ALA 94 5.837 -8.722 -1.876 783 3HB ALA 94 3HB ALA 94 4.895 -8.722 -3.367 784 H ASP 95 H ASP 95 9.149 -7.910 -4.029 785 HA ASP 95 HA ASP 95 10.419 -9.354 -5.240 786 1HB ASP 95 2HB ASP 95 8.915 -10.901 -3.577 787 2HB ASP 95 1HB ASP 95 8.474 -11.574 -5.144 788 H GLY 96 H GLY 96 9.104 -7.673 -6.827 789 1HA GLY 96 2HA GLY 96 8.379 -7.358 -8.982 790 2HA GLY 96 1HA GLY 96 9.024 -8.960 -9.307 791 H LYS 97 H LYS 97 6.550 -8.562 -6.913 792 HA LYS 97 HA LYS 97 4.630 -9.825 -8.752 793 1HB LYS 97 2HB LYS 97 5.475 -11.128 -6.711 794 2HB LYS 97 1HB LYS 97 4.520 -10.008 -5.749 795 1HG LYS 97 2HG LYS 97 3.275 -12.033 -6.123 796 2HG LYS 97 1HG LYS 97 2.507 -10.696 -6.981 797 1HD LYS 97 2HD LYS 97 4.498 -12.132 -8.570 798 2HD LYS 97 1HD LYS 97 3.133 -13.132 -8.068 799 1HE LYS 97 2HE LYS 97 1.707 -11.112 -8.887 800 2HE LYS 97 1HE LYS 97 3.162 -10.684 -9.786 801 1HZ LYS 97 1HZ LYS 97 2.304 -13.449 -10.008 802 2HZ LYS 97 2HZ LYS 97 2.905 -12.403 -11.192 803 3HZ LYS 97 3HZ LYS 97 1.283 -12.308 -10.726 804 H MET 98 H MET 98 2.755 -8.824 -9.146 805 HA MET 98 HA MET 98 2.167 -6.381 -7.624 806 1HB MET 98 2HB MET 98 2.407 -6.679 -10.309 807 2HB MET 98 1HB MET 98 0.677 -6.928 -10.117 808 1HG MET 98 2HG MET 98 0.492 -4.776 -8.978 809 2HG MET 98 1HG MET 98 2.225 -4.529 -9.165 810 1HE MET 98 1HE MET 98 0.466 -1.972 -11.607 811 2HE MET 98 2HE MET 98 1.008 -2.235 -9.950 812 3HE MET 98 3HE MET 98 -0.607 -2.744 -10.441 813 H VAL 99 H VAL 99 1.169 -7.507 -5.887 814 HA VAL 99 HA VAL 99 -1.015 -9.278 -6.241 815 HB VAL 99 HB VAL 99 -1.489 -8.748 -3.807 816 1HG1 VAL 99 1HG1 VAL 99 1.377 -9.522 -4.207 817 2HG1 VAL 99 2HG1 VAL 99 0.069 -10.555 -4.783 818 3HG1 VAL 99 3HG1 VAL 99 0.196 -10.169 -3.068 819 1HG2 VAL 99 1HG2 VAL 99 -0.105 -6.472 -4.254 820 2HG2 VAL 99 2HG2 VAL 99 1.158 -7.481 -3.554 821 3HG2 VAL 99 3HG2 VAL 99 -0.333 -7.188 -2.659 822 H ASN 100 H ASN 100 -0.762 -5.858 -6.381 823 HA ASN 100 HA ASN 100 -3.266 -5.028 -5.511 824 1HB ASN 100 2HB ASN 100 -1.127 -3.744 -6.510 825 2HB ASN 100 1HB ASN 100 -2.170 -3.702 -7.929 826 1HD2 ASN 100 1HD2 ASN 100 -1.640 -2.540 -4.732 827 2HD2 ASN 100 2HD2 ASN 100 -2.910 -1.369 -4.714 828 H GLU 101 H GLU 101 -2.339 -5.543 -8.916 829 HA GLU 101 HA GLU 101 -4.942 -5.447 -9.935 830 1HB GLU 101 2HB GLU 101 -2.472 -5.553 -11.037 831 2HB GLU 101 1HB GLU 101 -3.022 -7.193 -11.347 832 1HG GLU 101 2HG GLU 101 -4.971 -5.105 -12.000 833 2HG GLU 101 1HG GLU 101 -3.490 -5.064 -12.956 834 H ALA 102 H ALA 102 -3.347 -7.933 -8.194 835 HA ALA 102 HA ALA 102 -4.981 -10.078 -9.236 836 1HB ALA 102 1HB ALA 102 -2.773 -9.859 -7.257 837 2HB ALA 102 2HB ALA 102 -2.941 -10.922 -8.655 838 3HB ALA 102 3HB ALA 102 -3.845 -11.258 -7.178 839 H LEU 103 H LEU 103 -4.720 -8.296 -6.159 840 HA LEU 103 HA LEU 103 -7.311 -9.455 -5.376 841 1HB LEU 103 2HB LEU 103 -5.512 -9.994 -3.842 842 2HB LEU 103 1HB LEU 103 -5.108 -8.297 -3.673 843 HG LEU 103 HG LEU 103 -7.847 -9.235 -2.919 844 1HD1 LEU 103 1HD1 LEU 103 -6.271 -10.776 -1.823 845 2HD1 LEU 103 2HD1 LEU 103 -7.101 -9.728 -0.674 846 3HD1 LEU 103 3HD1 LEU 103 -5.431 -9.391 -1.125 847 1HD2 LEU 103 1HD2 LEU 103 -7.809 -6.968 -2.713 848 2HD2 LEU 103 2HD2 LEU 103 -6.077 -6.912 -2.390 849 3HD2 LEU 103 3HD2 LEU 103 -7.196 -7.405 -1.118 850 H VAL 104 H VAL 104 -5.443 -6.425 -5.156 851 HA VAL 104 HA VAL 104 -7.510 -4.812 -4.214 852 HB VAL 104 HB VAL 104 -5.203 -3.979 -5.973 853 1HG1 VAL 104 1HG1 VAL 104 -7.179 -2.435 -4.331 854 2HG1 VAL 104 2HG1 VAL 104 -6.669 -2.165 -5.997 855 3HG1 VAL 104 3HG1 VAL 104 -5.572 -1.792 -4.668 856 1HG2 VAL 104 1HG2 VAL 104 -5.435 -4.029 -2.965 857 2HG2 VAL 104 2HG2 VAL 104 -4.051 -3.454 -3.896 858 3HG2 VAL 104 3HG2 VAL 104 -4.496 -5.160 -3.940 859 H ARG 105 H ARG 105 -7.131 -6.202 -7.314 860 HA ARG 105 HA ARG 105 -8.285 -4.320 -8.995 861 1HB ARG 105 2HB ARG 105 -7.438 -6.936 -9.229 862 2HB ARG 105 1HB ARG 105 -9.163 -7.054 -9.549 863 1HG ARG 105 2HG ARG 105 -7.488 -5.000 -10.935 864 2HG ARG 105 1HG ARG 105 -7.555 -6.663 -11.517 865 1HD ARG 105 2HD ARG 105 -10.213 -5.827 -11.003 866 2HD ARG 105 1HD ARG 105 -9.422 -4.547 -11.922 867 HE ARG 105 HE ARG 105 -8.745 -6.782 -13.281 868 1HH1 ARG 105 1HH1 ARG 105 -11.799 -5.500 -12.179 869 2HH1 ARG 105 2HH1 ARG 105 -12.703 -6.198 -13.479 870 1HH2 ARG 105 1HH2 ARG 105 -9.934 -7.701 -14.992 871 2HH2 ARG 105 2HH2 ARG 105 -11.646 -7.449 -15.076 872 H GLN 106 H GLN 106 -9.748 -6.173 -6.476 873 HA GLN 106 HA GLN 106 -12.442 -5.700 -7.496 874 1HB GLN 106 2HB GLN 106 -11.284 -7.376 -5.306 875 2HB GLN 106 1HB GLN 106 -12.984 -6.932 -5.241 876 1HG GLN 106 2HG GLN 106 -13.326 -8.767 -6.449 877 2HG GLN 106 1HG GLN 106 -12.727 -7.818 -7.808 878 1HE2 GLN 106 1HE2 GLN 106 -10.850 -8.375 -8.756 879 2HE2 GLN 106 2HE2 GLN 106 -9.855 -9.694 -8.256 880 H GLY 107 H GLY 107 -10.612 -3.535 -6.442 881 1HA GLY 107 2HA GLY 107 -11.331 -1.473 -5.538 882 2HA GLY 107 1HA GLY 107 -12.619 -2.320 -4.693 883 H LEU 108 H LEU 108 -10.013 -4.164 -4.165 884 HA LEU 108 HA LEU 108 -8.224 -4.148 -2.676 885 1HB LEU 108 2HB LEU 108 -8.802 -1.527 -2.442 886 2HB LEU 108 1HB LEU 108 -9.345 -2.095 -0.874 887 HG LEU 108 HG LEU 108 -6.580 -2.556 -1.987 888 1HD1 LEU 108 1HD1 LEU 108 -6.000 -0.876 -0.136 889 2HD1 LEU 108 2HD1 LEU 108 -7.697 -0.401 -0.230 890 3HD1 LEU 108 3HD1 LEU 108 -6.660 -0.254 -1.649 891 1HD2 LEU 108 1HD2 LEU 108 -7.833 -3.062 0.702 892 2HD2 LEU 108 2HD2 LEU 108 -6.091 -3.060 0.422 893 3HD2 LEU 108 3HD2 LEU 108 -7.115 -4.238 -0.397 894 H ALA 109 H ALA 109 -10.974 -5.322 -2.687 895 HA ALA 109 HA ALA 109 -10.723 -6.898 -0.404 896 1HB ALA 109 1HB ALA 109 -13.046 -5.033 -0.092 897 2HB ALA 109 2HB ALA 109 -11.485 -4.740 0.668 898 3HB ALA 109 3HB ALA 109 -12.401 -6.187 1.069 899 H LYS 110 H LYS 110 -13.363 -7.658 0.067 900 HA LYS 110 HA LYS 110 -14.907 -7.967 -2.270 901 1HB LYS 110 2HB LYS 110 -12.643 -9.610 -2.249 902 2HB LYS 110 1HB LYS 110 -13.966 -10.666 -1.774 903 1HG LYS 110 2HG LYS 110 -14.099 -8.898 -4.198 904 2HG LYS 110 1HG LYS 110 -13.449 -10.539 -4.240 905 1HD LYS 110 2HD LYS 110 -16.098 -10.186 -2.966 906 2HD LYS 110 1HD LYS 110 -16.023 -9.970 -4.717 907 1HE LYS 110 2HE LYS 110 -14.885 -12.372 -3.306 908 2HE LYS 110 1HE LYS 110 -16.541 -12.307 -3.905 909 1HZ LYS 110 1HZ LYS 110 -14.076 -12.026 -5.536 910 2HZ LYS 110 2HZ LYS 110 -15.653 -11.878 -6.131 911 3HZ LYS 110 3HZ LYS 110 -15.117 -13.360 -5.516 Start of MODEL 3 1 1H ALA 1 1HT ALA 1 22.485 21.240 -19.186 2 2H ALA 1 2HT ALA 1 21.720 19.856 -18.522 3 3H ALA 1 3HT ALA 1 21.650 21.358 -17.695 4 HA ALA 1 HA ALA 1 20.216 22.275 -19.176 5 1HB ALA 1 1HB ALA 1 19.736 21.357 -21.367 6 2HB ALA 1 2HB ALA 1 20.805 19.991 -21.051 7 3HB ALA 1 3HB ALA 1 21.470 21.620 -21.181 8 H THR 2 H THR 2 20.072 18.744 -19.646 9 HA THR 2 HA THR 2 17.620 18.707 -18.020 10 HB THR 2 HB THR 2 16.833 18.607 -20.265 11 HG1 THR 2 1HG THR 2 15.951 16.516 -20.322 12 1HG2 THR 2 1HG2 THR 2 18.867 16.450 -20.771 13 2HG2 THR 2 2HG2 THR 2 18.864 18.075 -21.457 14 3HG2 THR 2 3HG2 THR 2 17.589 16.934 -21.885 15 H SER 3 H SER 3 17.871 17.404 -16.343 16 HA SER 3 HA SER 3 20.016 15.505 -16.215 17 1HB SER 3 2HB SER 3 19.079 16.902 -14.279 18 2HB SER 3 1HB SER 3 17.757 15.735 -14.231 19 HG SER 3 HG SER 3 20.500 15.032 -14.061 20 H THR 4 H THR 4 19.888 13.268 -16.090 21 HA THR 4 HA THR 4 17.598 12.112 -17.454 22 HB THR 4 HB THR 4 18.973 10.075 -17.572 23 HG1 THR 4 1HG THR 4 20.072 10.413 -15.559 24 1HG2 THR 4 1HG2 THR 4 21.108 11.838 -18.338 25 2HG2 THR 4 2HG2 THR 4 19.548 12.467 -18.868 26 3HG2 THR 4 3HG2 THR 4 20.051 10.844 -19.341 27 H LYS 5 H LYS 5 16.335 10.422 -16.648 28 HA LYS 5 HA LYS 5 15.901 10.509 -13.810 29 1HB LYS 5 2HB LYS 5 14.263 10.084 -15.929 30 2HB LYS 5 1HB LYS 5 14.528 8.430 -15.398 31 1HG LYS 5 2HG LYS 5 13.928 9.358 -13.052 32 2HG LYS 5 1HG LYS 5 13.209 10.688 -13.962 33 1HD LYS 5 2HD LYS 5 12.575 7.806 -14.542 34 2HD LYS 5 1HD LYS 5 11.673 8.754 -13.356 35 1HE LYS 5 2HE LYS 5 11.197 10.418 -15.144 36 2HE LYS 5 1HE LYS 5 11.972 9.334 -16.300 37 1HZ LYS 5 1HZ LYS 5 10.226 7.679 -15.173 38 2HZ LYS 5 2HZ LYS 5 9.875 8.598 -16.550 39 3HZ LYS 5 3HZ LYS 5 9.370 9.132 -15.025 40 H LYS 6 H LYS 6 16.195 8.880 -12.314 41 HA LYS 6 HA LYS 6 17.749 6.547 -13.217 42 1HB LYS 6 2HB LYS 6 18.162 8.128 -10.673 43 2HB LYS 6 1HB LYS 6 19.033 6.667 -11.118 44 1HG LYS 6 2HG LYS 6 19.915 7.851 -13.105 45 2HG LYS 6 1HG LYS 6 19.125 9.323 -12.534 46 1HD LYS 6 2HD LYS 6 20.429 8.920 -10.350 47 2HD LYS 6 1HD LYS 6 21.415 7.818 -11.313 48 1HE LYS 6 2HE LYS 6 22.221 9.524 -12.669 49 2HE LYS 6 1HE LYS 6 20.896 10.611 -12.256 50 1HZ LYS 6 1HZ LYS 6 22.978 11.271 -11.206 51 2HZ LYS 6 2HZ LYS 6 23.070 9.781 -10.410 52 3HZ LYS 6 3HZ LYS 6 21.816 10.858 -10.047 53 H LEU 7 H LEU 7 17.388 4.599 -12.149 54 HA LEU 7 HA LEU 7 15.119 4.565 -10.271 55 1HB LEU 7 2HB LEU 7 15.405 3.264 -12.860 56 2HB LEU 7 1HB LEU 7 15.023 2.126 -11.584 57 HG LEU 7 HG LEU 7 13.048 3.043 -12.831 58 1HD1 LEU 7 1HD1 LEU 7 12.668 2.025 -10.722 59 2HD1 LEU 7 2HD1 LEU 7 11.742 3.526 -10.746 60 3HD1 LEU 7 3HD1 LEU 7 13.264 3.443 -9.859 61 1HD2 LEU 7 1HD2 LEU 7 13.989 5.366 -12.989 62 2HD2 LEU 7 2HD2 LEU 7 13.595 5.565 -11.282 63 3HD2 LEU 7 3HD2 LEU 7 12.311 5.272 -12.453 64 H HIS 8 H HIS 8 16.088 4.102 -8.382 65 HA HIS 8 HA HIS 8 18.038 1.898 -8.330 66 1HB HIS 8 2HB HIS 8 18.322 4.419 -7.319 67 2HB HIS 8 1HB HIS 8 17.743 3.546 -5.903 68 HD1 HIS 8 1HD HIS 8 19.386 0.914 -7.234 69 HD2 HIS 8 2HD HIS 8 20.807 4.563 -5.843 70 HE1 HIS 8 1HE HIS 8 21.807 0.523 -6.675 71 HE2 HIS 8 2HE HIS 8 22.669 2.769 -5.926 72 H LYS 9 H LYS 9 17.386 0.022 -7.537 73 HA LYS 9 HA LYS 9 14.821 -0.236 -6.269 74 1HB LYS 9 2HB LYS 9 16.985 -2.285 -6.775 75 2HB LYS 9 1HB LYS 9 15.363 -2.651 -6.203 76 1HG LYS 9 2HG LYS 9 14.391 -1.954 -8.254 77 2HG LYS 9 1HG LYS 9 15.919 -1.268 -8.814 78 1HD LYS 9 2HD LYS 9 16.752 -3.284 -9.421 79 2HD LYS 9 1HD LYS 9 15.969 -4.129 -8.084 80 1HE LYS 9 2HE LYS 9 13.841 -3.332 -9.621 81 2HE LYS 9 1HE LYS 9 15.067 -3.713 -10.830 82 1HZ LYS 9 1HZ LYS 9 14.110 -5.520 -8.675 83 2HZ LYS 9 2HZ LYS 9 15.341 -5.890 -9.776 84 3HZ LYS 9 3HZ LYS 9 13.759 -5.656 -10.326 85 H GLU 10 H GLU 10 14.540 0.250 -4.197 86 HA GLU 10 HA GLU 10 16.688 -0.420 -2.296 87 1HB GLU 10 2HB GLU 10 14.814 1.884 -2.475 88 2HB GLU 10 1HB GLU 10 15.256 1.320 -0.871 89 1HG GLU 10 2HG GLU 10 17.525 1.646 -2.683 90 2HG GLU 10 1HG GLU 10 16.646 3.138 -2.347 91 HA PRO 11 HA PRO 11 13.919 -3.407 -0.541 92 1HB PRO 11 2HB PRO 11 15.010 -3.548 1.964 93 2HB PRO 11 1HB PRO 11 15.699 -4.347 0.547 94 1HG PRO 11 2HG PRO 11 16.475 -1.753 1.824 95 2HG PRO 11 1HG PRO 11 17.514 -3.047 1.194 96 1HD PRO 11 2HD PRO 11 17.050 -0.795 -0.201 97 2HD PRO 11 1HD PRO 11 17.241 -2.369 -1.002 98 H ALA 12 H ALA 12 11.901 -2.976 0.053 99 HA ALA 12 HA ALA 12 11.413 -1.344 2.421 100 1HB ALA 12 1HB ALA 12 10.261 0.319 1.427 101 2HB ALA 12 2HB ALA 12 9.580 -0.745 0.196 102 3HB ALA 12 3HB ALA 12 11.222 -0.125 0.017 103 H THR 13 H THR 13 10.398 -2.800 3.657 104 HA THR 13 HA THR 13 8.179 -4.318 2.446 105 HB THR 13 HB THR 13 8.765 -5.885 4.519 106 HG1 THR 13 1HG THR 13 10.495 -5.010 5.405 107 1HG2 THR 13 1HG2 THR 13 10.192 -5.869 1.881 108 2HG2 THR 13 2HG2 THR 13 8.777 -6.810 2.351 109 3HG2 THR 13 3HG2 THR 13 10.351 -7.169 3.062 110 H LEU 14 H LEU 14 6.236 -4.239 3.456 111 HA LEU 14 HA LEU 14 5.776 -2.261 5.432 112 1HB LEU 14 2HB LEU 14 3.810 -4.438 4.863 113 2HB LEU 14 1HB LEU 14 3.514 -2.747 5.219 114 HG LEU 14 HG LEU 14 4.867 -2.580 2.848 115 1HD1 LEU 14 1HD1 LEU 14 4.552 -4.333 1.493 116 2HD1 LEU 14 2HD1 LEU 14 2.932 -4.650 2.114 117 3HD1 LEU 14 3HD1 LEU 14 4.343 -5.244 2.989 118 1HD2 LEU 14 1HD2 LEU 14 2.514 -1.739 3.807 119 2HD2 LEU 14 2HD2 LEU 14 1.940 -2.947 2.657 120 3HD2 LEU 14 3HD2 LEU 14 2.958 -1.618 2.104 121 H ILE 15 H ILE 15 6.316 -2.446 7.502 122 HA ILE 15 HA ILE 15 6.981 -4.835 8.801 123 HB ILE 15 HB ILE 15 7.727 -2.633 9.592 124 1HG1 ILE 15 2HG1 ILE 15 6.561 -3.190 12.080 125 2HG1 ILE 15 1HG1 ILE 15 6.616 -4.738 11.247 126 1HG2 ILE 15 1HG2 ILE 15 6.122 -1.278 10.972 127 2HG2 ILE 15 2HG2 ILE 15 4.826 -2.272 10.303 128 3HG2 ILE 15 3HG2 ILE 15 5.814 -1.276 9.235 129 1HD1 ILE 15 1HD1 ILE 15 8.745 -4.921 11.802 130 2HD1 ILE 15 2HD1 ILE 15 8.714 -3.317 12.537 131 3HD1 ILE 15 3HD1 ILE 15 9.107 -3.496 10.827 132 H LYS 16 H LYS 16 3.936 -3.164 8.443 133 HA LYS 16 HA LYS 16 2.465 -5.479 9.256 134 1HB LYS 16 2HB LYS 16 3.189 -3.978 11.371 135 2HB LYS 16 1HB LYS 16 1.716 -3.135 10.913 136 1HG LYS 16 2HG LYS 16 1.915 -6.081 11.501 137 2HG LYS 16 1HG LYS 16 1.327 -4.850 12.620 138 1HD LYS 16 2HD LYS 16 -0.278 -4.289 10.594 139 2HD LYS 16 1HD LYS 16 0.051 -5.972 10.178 140 1HE LYS 16 2HE LYS 16 -1.969 -5.719 11.564 141 2HE LYS 16 1HE LYS 16 -0.731 -6.700 12.347 142 1HZ LYS 16 1HZ LYS 16 -1.935 -4.876 13.688 143 2HZ LYS 16 2HZ LYS 16 -0.885 -3.812 12.898 144 3HZ LYS 16 3HZ LYS 16 -0.261 -5.051 13.864 145 H ALA 17 H ALA 17 1.520 -5.298 7.233 146 HA ALA 17 HA ALA 17 0.068 -2.842 6.599 147 1HB ALA 17 1HB ALA 17 0.403 -5.301 4.892 148 2HB ALA 17 2HB ALA 17 1.516 -3.933 4.891 149 3HB ALA 17 3HB ALA 17 -0.157 -3.709 4.379 150 H ILE 18 H ILE 18 -1.860 -2.730 7.570 151 HA ILE 18 HA ILE 18 -3.452 -5.075 8.088 152 HB ILE 18 HB ILE 18 -4.301 -2.196 8.381 153 1HG1 ILE 18 2HG1 ILE 18 -3.585 -3.356 10.883 154 2HG1 ILE 18 1HG1 ILE 18 -2.235 -3.596 9.778 155 1HG2 ILE 18 1HG2 ILE 18 -5.236 -4.422 10.120 156 2HG2 ILE 18 2HG2 ILE 18 -5.902 -4.280 8.493 157 3HG2 ILE 18 3HG2 ILE 18 -6.066 -2.944 9.633 158 1HD1 ILE 18 1HD1 ILE 18 -2.558 -1.401 11.261 159 2HD1 ILE 18 2HD1 ILE 18 -3.432 -0.903 9.812 160 3HD1 ILE 18 3HD1 ILE 18 -1.744 -1.400 9.697 161 H ASP 19 H ASP 19 -3.897 -2.121 6.149 162 HA ASP 19 HA ASP 19 -4.849 -1.839 4.085 163 1HB ASP 19 2HB ASP 19 -4.372 -4.529 4.015 164 2HB ASP 19 1HB ASP 19 -6.124 -4.479 3.845 165 H GLY 20 H GLY 20 -6.485 -3.114 6.827 166 1HA GLY 20 2HA GLY 20 -9.152 -2.929 5.981 167 2HA GLY 20 1HA GLY 20 -8.599 -2.788 7.643 168 H ASP 21 H ASP 21 -6.856 -0.470 6.859 169 HA ASP 21 HA ASP 21 -8.519 1.608 5.888 170 1HB ASP 21 2HB ASP 21 -8.526 1.068 8.803 171 2HB ASP 21 1HB ASP 21 -8.351 2.754 8.323 172 H THR 22 H THR 22 -5.782 0.766 7.972 173 HA THR 22 HA THR 22 -4.255 2.935 6.691 174 HB THR 22 HB THR 22 -3.648 2.088 9.497 175 HG1 THR 22 1HG THR 22 -5.520 2.803 10.090 176 1HG2 THR 22 1HG2 THR 22 -2.164 3.710 9.342 177 2HG2 THR 22 2HG2 THR 22 -3.484 4.864 9.152 178 3HG2 THR 22 3HG2 THR 22 -2.739 4.132 7.730 179 H VAL 23 H VAL 23 -1.925 2.597 6.641 180 HA VAL 23 HA VAL 23 -0.959 -0.108 7.083 181 HB VAL 23 HB VAL 23 -0.562 1.056 4.341 182 1HG1 VAL 23 1HG1 VAL 23 0.457 -0.887 3.846 183 2HG1 VAL 23 2HG1 VAL 23 -0.682 -1.846 4.791 184 3HG1 VAL 23 3HG1 VAL 23 0.649 -1.013 5.593 185 1HG2 VAL 23 1HG2 VAL 23 -2.938 0.892 4.498 186 2HG2 VAL 23 2HG2 VAL 23 -2.835 -0.696 5.257 187 3HG2 VAL 23 3HG2 VAL 23 -2.372 -0.494 3.568 188 H LYS 24 H LYS 24 1.281 -0.236 7.272 189 HA LYS 24 HA LYS 24 2.743 2.312 7.054 190 1HB LYS 24 2HB LYS 24 2.189 1.675 9.418 191 2HB LYS 24 1HB LYS 24 3.175 0.237 9.205 192 1HG LYS 24 2HG LYS 24 5.146 1.562 8.882 193 2HG LYS 24 1HG LYS 24 4.197 3.049 8.887 194 1HD LYS 24 2HD LYS 24 4.045 3.092 11.134 195 2HD LYS 24 1HD LYS 24 3.844 1.343 11.254 196 1HE LYS 24 2HE LYS 24 6.139 0.954 11.223 197 2HE LYS 24 1HE LYS 24 6.493 2.534 10.523 198 1HZ LYS 24 1HZ LYS 24 5.384 3.269 12.816 199 2HZ LYS 24 2HZ LYS 24 7.045 2.989 12.647 200 3HZ LYS 24 3HZ LYS 24 6.048 1.789 13.300 201 H LEU 25 H LEU 25 4.911 2.200 6.426 202 HA LEU 25 HA LEU 25 5.874 -0.441 5.565 203 1HB LEU 25 2HB LEU 25 5.391 1.964 3.953 204 2HB LEU 25 1HB LEU 25 6.963 1.232 3.704 205 HG LEU 25 HG LEU 25 4.739 -0.683 3.651 206 1HD1 LEU 25 1HD1 LEU 25 4.629 1.766 2.062 207 2HD1 LEU 25 2HD1 LEU 25 3.380 0.561 2.381 208 3HD1 LEU 25 3HD1 LEU 25 4.561 0.289 1.099 209 1HD2 LEU 25 1HD2 LEU 25 6.793 -1.540 2.997 210 2HD2 LEU 25 2HD2 LEU 25 7.225 -0.089 2.091 211 3HD2 LEU 25 3HD2 LEU 25 6.009 -1.198 1.455 212 H MET 26 H MET 26 8.184 -0.615 5.322 213 HA MET 26 HA MET 26 9.640 1.302 7.024 214 1HB MET 26 2HB MET 26 9.488 -0.953 7.990 215 2HB MET 26 1HB MET 26 10.219 -1.628 6.540 216 1HG MET 26 2HG MET 26 12.299 -0.984 7.119 217 2HG MET 26 1HG MET 26 11.746 0.497 7.894 218 1HE MET 26 1HE MET 26 12.876 -2.926 8.037 219 2HE MET 26 2HE MET 26 11.405 -3.603 8.736 220 3HE MET 26 3HE MET 26 12.850 -3.422 9.728 221 H TYR 27 H TYR 27 10.465 2.699 5.531 222 HA TYR 27 HA TYR 27 11.949 1.571 3.262 223 1HB TYR 27 2HB TYR 27 10.193 3.245 2.757 224 2HB TYR 27 1HB TYR 27 11.063 4.425 3.731 225 HD1 TYR 27 1HD TYR 27 12.670 5.787 2.738 226 HD2 TYR 27 2HD TYR 27 11.472 2.219 0.756 227 HE1 TYR 27 1HE TYR 27 13.988 6.446 0.770 228 HE2 TYR 27 2HE TYR 27 12.788 2.867 -1.217 229 HH TYR 27 HH TYR 27 14.640 4.289 -1.811 230 H LYS 28 H LYS 28 14.002 1.178 3.809 231 HA LYS 28 HA LYS 28 16.100 1.425 4.675 232 1HB LYS 28 2HB LYS 28 15.923 3.177 2.823 233 2HB LYS 28 1HB LYS 28 15.727 4.360 4.108 234 1HG LYS 28 2HG LYS 28 17.908 3.613 5.043 235 2HG LYS 28 1HG LYS 28 18.106 2.583 3.623 236 1HD LYS 28 2HD LYS 28 18.579 4.324 2.264 237 2HD LYS 28 1HD LYS 28 17.436 5.399 3.071 238 1HE LYS 28 2HE LYS 28 19.101 5.434 5.005 239 2HE LYS 28 1HE LYS 28 20.247 4.709 3.878 240 1HZ LYS 28 1HZ LYS 28 19.955 7.329 4.187 241 2HZ LYS 28 2HZ LYS 28 18.851 7.074 2.931 242 3HZ LYS 28 3HZ LYS 28 20.469 6.622 2.738 243 H GLY 29 H GLY 29 14.038 1.512 6.637 244 1HA GLY 29 2HA GLY 29 14.294 1.701 8.975 245 2HA GLY 29 1HA GLY 29 15.489 2.965 8.721 246 H GLN 30 H GLN 30 13.522 4.201 6.727 247 HA GLN 30 HA GLN 30 12.148 5.816 8.706 248 1HB GLN 30 2HB GLN 30 13.345 6.915 6.862 249 2HB GLN 30 1HB GLN 30 12.304 6.102 5.701 250 1HG GLN 30 2HG GLN 30 11.338 8.178 5.829 251 2HG GLN 30 1HG GLN 30 10.381 7.264 6.994 252 1HE2 GLN 30 1HE2 GLN 30 9.929 8.450 8.694 253 2HE2 GLN 30 2HE2 GLN 30 10.989 9.567 9.476 254 HA PRO 31 HA PRO 31 8.399 3.437 8.200 255 1HB PRO 31 2HB PRO 31 6.752 5.108 9.586 256 2HB PRO 31 1HB PRO 31 7.864 3.976 10.362 257 1HG PRO 31 2HG PRO 31 8.194 6.909 9.855 258 2HG PRO 31 1HG PRO 31 8.592 5.972 11.308 259 1HD PRO 31 2HD PRO 31 10.470 6.713 9.520 260 2HD PRO 31 1HD PRO 31 10.567 5.178 10.408 261 H MET 32 H MET 32 8.007 3.655 5.992 262 HA MET 32 HA MET 32 7.049 6.101 4.850 263 1HB MET 32 2HB MET 32 8.327 4.339 3.594 264 2HB MET 32 1HB MET 32 6.896 3.320 3.681 265 1HG MET 32 2HG MET 32 5.885 4.397 2.014 266 2HG MET 32 1HG MET 32 6.349 5.981 2.633 267 1HE MET 32 1HE MET 32 8.192 7.016 -0.350 268 2HE MET 32 2HE MET 32 8.295 7.472 1.352 269 3HE MET 32 3HE MET 32 6.726 7.122 0.625 270 H THR 33 H THR 33 5.011 6.813 4.696 271 HA THR 33 HA THR 33 2.920 5.308 5.984 272 HB THR 33 HB THR 33 2.746 7.971 4.564 273 HG1 THR 33 1HG THR 33 3.450 8.867 6.344 274 1HG2 THR 33 1HG2 THR 33 0.569 7.748 4.948 275 2HG2 THR 33 2HG2 THR 33 0.978 8.016 6.642 276 3HG2 THR 33 3HG2 THR 33 0.806 6.372 6.027 277 H PHE 34 H PHE 34 1.310 4.206 5.075 278 HA PHE 34 HA PHE 34 0.796 4.476 2.206 279 1HB PHE 34 2HB PHE 34 2.387 2.560 2.607 280 2HB PHE 34 1HB PHE 34 1.115 1.783 3.546 281 HD1 PHE 34 1HD PHE 34 -0.338 0.344 2.490 282 HD2 PHE 34 2HD PHE 34 1.726 3.264 0.182 283 HE1 PHE 34 1HE PHE 34 -1.261 -0.636 0.429 284 HE2 PHE 34 2HE PHE 34 0.805 2.290 -1.881 285 HZ PHE 34 HZ PHE 34 -0.691 0.338 -1.759 286 H ARG 35 H ARG 35 -0.623 5.423 4.486 287 HA ARG 35 HA ARG 35 -2.736 3.774 5.288 288 1HB ARG 35 2HB ARG 35 -2.110 5.861 6.433 289 2HB ARG 35 1HB ARG 35 -2.693 6.786 5.056 290 1HG ARG 35 2HG ARG 35 -4.954 5.922 5.443 291 2HG ARG 35 1HG ARG 35 -4.361 5.026 6.842 292 1HD ARG 35 2HD ARG 35 -5.306 6.997 7.716 293 2HD ARG 35 1HD ARG 35 -3.562 7.255 7.751 294 HE ARG 35 HE ARG 35 -3.810 8.943 6.221 295 1HH1 ARG 35 1HH1 ARG 35 -6.757 7.078 6.345 296 2HH1 ARG 35 2HH1 ARG 35 -7.652 8.195 5.370 297 1HH2 ARG 35 1HH2 ARG 35 -4.986 10.413 4.939 298 2HH2 ARG 35 2HH2 ARG 35 -6.647 10.088 4.572 299 H LEU 36 H LEU 36 -4.515 3.101 4.325 300 HA LEU 36 HA LEU 36 -5.556 4.576 2.012 301 1HB LEU 36 2HB LEU 36 -4.166 2.585 1.312 302 2HB LEU 36 1HB LEU 36 -5.354 1.568 2.105 303 HG LEU 36 HG LEU 36 -7.000 2.945 0.500 304 1HD1 LEU 36 1HD1 LEU 36 -5.133 4.265 -0.443 305 2HD1 LEU 36 2HD1 LEU 36 -6.005 3.329 -1.656 306 3HD1 LEU 36 3HD1 LEU 36 -4.436 2.774 -1.072 307 1HD2 LEU 36 1HD2 LEU 36 -6.330 1.007 -1.217 308 2HD2 LEU 36 2HD2 LEU 36 -7.238 0.707 0.266 309 3HD2 LEU 36 3HD2 LEU 36 -5.499 0.414 0.222 310 H LEU 37 H LEU 37 -7.093 5.366 3.558 311 HA LEU 37 HA LEU 37 -8.879 3.477 4.826 312 1HB LEU 37 2HB LEU 37 -8.091 5.688 5.820 313 2HB LEU 37 1HB LEU 37 -9.205 6.466 4.710 314 HG LEU 37 HG LEU 37 -10.323 4.327 6.436 315 1HD1 LEU 37 1HD1 LEU 37 -10.587 5.848 8.323 316 2HD1 LEU 37 2HD1 LEU 37 -9.606 7.057 7.497 317 3HD1 LEU 37 3HD1 LEU 37 -8.884 5.528 7.998 318 1HD2 LEU 37 1HD2 LEU 37 -11.392 6.050 4.670 319 2HD2 LEU 37 2HD2 LEU 37 -11.556 6.991 6.154 320 3HD2 LEU 37 3HD2 LEU 37 -12.277 5.384 6.043 321 H LEU 38 H LEU 38 -10.145 2.446 3.377 322 HA LEU 38 HA LEU 38 -12.018 4.114 1.855 323 1HB LEU 38 2HB LEU 38 -10.067 2.212 0.790 324 2HB LEU 38 1HB LEU 38 -11.704 1.885 0.256 325 HG LEU 38 HG LEU 38 -10.499 3.296 -1.339 326 1HD1 LEU 38 1HD1 LEU 38 -12.167 5.349 -1.066 327 2HD1 LEU 38 2HD1 LEU 38 -12.922 4.240 0.078 328 3HD1 LEU 38 3HD1 LEU 38 -12.705 3.758 -1.606 329 1HD2 LEU 38 1HD2 LEU 38 -9.300 4.438 0.779 330 2HD2 LEU 38 2HD2 LEU 38 -10.538 5.646 0.441 331 3HD2 LEU 38 3HD2 LEU 38 -9.387 5.189 -0.814 332 H VAL 39 H VAL 39 -13.862 3.703 2.918 333 HA VAL 39 HA VAL 39 -14.875 0.987 2.924 334 HB VAL 39 HB VAL 39 -14.781 2.506 5.530 335 1HG1 VAL 39 1HG1 VAL 39 -16.652 1.023 5.420 336 2HG1 VAL 39 2HG1 VAL 39 -15.431 0.281 6.454 337 3HG1 VAL 39 3HG1 VAL 39 -15.646 -0.285 4.798 338 1HG2 VAL 39 1HG2 VAL 39 -13.037 0.238 4.576 339 2HG2 VAL 39 2HG2 VAL 39 -13.123 0.808 6.243 340 3HG2 VAL 39 3HG2 VAL 39 -12.523 1.877 4.977 341 H ASP 40 H ASP 40 -17.157 0.870 3.466 342 HA ASP 40 HA ASP 40 -18.633 3.363 3.619 343 1HB ASP 40 2HB ASP 40 -18.523 1.654 1.177 344 2HB ASP 40 1HB ASP 40 -20.079 2.347 1.623 345 H THR 41 H THR 41 -19.375 2.591 5.605 346 HA THR 41 HA THR 41 -21.119 0.222 5.475 347 HB THR 41 HB THR 41 -20.723 -0.129 7.815 348 HG1 THR 41 1HG THR 41 -20.597 1.849 8.701 349 1HG2 THR 41 1HG2 THR 41 -18.434 -0.637 7.917 350 2HG2 THR 41 2HG2 THR 41 -18.026 0.605 6.735 351 3HG2 THR 41 3HG2 THR 41 -18.901 -0.838 6.228 352 HA PRO 42 HA PRO 42 -24.047 3.803 5.840 353 1HB PRO 42 2HB PRO 42 -25.831 1.570 5.005 354 2HB PRO 42 1HB PRO 42 -25.749 3.230 4.403 355 1HG PRO 42 2HG PRO 42 -24.769 1.209 2.967 356 2HG PRO 42 1HG PRO 42 -23.947 2.779 3.017 357 1HD PRO 42 2HD PRO 42 -23.247 0.226 4.397 358 2HD PRO 42 1HD PRO 42 -22.181 1.462 3.699 359 H GLU 43 H GLU 43 -24.360 0.437 6.863 360 HA GLU 43 HA GLU 43 -25.007 1.174 9.541 361 1HB GLU 43 2HB GLU 43 -27.185 1.149 7.865 362 2HB GLU 43 1HB GLU 43 -27.213 -0.475 8.536 363 1HG GLU 43 2HG GLU 43 -27.602 0.260 10.671 364 2HG GLU 43 1HG GLU 43 -26.876 1.840 10.375 365 H THR 44 H THR 44 -23.265 -0.611 7.788 366 HA THR 44 HA THR 44 -23.059 -2.775 9.616 367 HB THR 44 HB THR 44 -23.756 -3.670 6.834 368 HG1 THR 44 1HG THR 44 -25.598 -3.391 8.970 369 1HG2 THR 44 1HG2 THR 44 -22.710 -5.141 8.718 370 2HG2 THR 44 2HG2 THR 44 -24.002 -5.768 7.694 371 3HG2 THR 44 3HG2 THR 44 -24.367 -5.182 9.318 372 H LYS 45 H LYS 45 -21.068 -3.748 9.487 373 HA LYS 45 HA LYS 45 -19.124 -2.453 7.816 374 1HB LYS 45 2HB LYS 45 -19.106 -4.229 10.145 375 2HB LYS 45 1HB LYS 45 -17.801 -4.549 9.010 376 1HG LYS 45 2HG LYS 45 -17.203 -2.137 9.117 377 2HG LYS 45 1HG LYS 45 -18.413 -1.946 10.387 378 1HD LYS 45 2HD LYS 45 -16.519 -4.145 10.822 379 2HD LYS 45 1HD LYS 45 -15.789 -2.538 10.813 380 1HE LYS 45 2HE LYS 45 -16.358 -2.702 13.021 381 2HE LYS 45 1HE LYS 45 -17.830 -1.973 12.378 382 1HZ LYS 45 1HZ LYS 45 -18.840 -4.156 12.285 383 2HZ LYS 45 2HZ LYS 45 -18.307 -3.832 13.857 384 3HZ LYS 45 3HZ LYS 45 -17.422 -4.875 12.862 385 H HIS 46 H HIS 46 -21.102 -5.201 7.495 386 HA HIS 46 HA HIS 46 -19.525 -6.065 5.169 387 1HB HIS 46 2HB HIS 46 -20.385 -8.433 5.755 388 2HB HIS 46 1HB HIS 46 -19.025 -7.787 6.670 389 HD1 HIS 46 1HD HIS 46 -19.249 -8.430 9.036 390 HD2 HIS 46 2HD HIS 46 -22.936 -7.563 7.329 391 HE1 HIS 46 1HE HIS 46 -20.928 -8.701 10.888 392 HE2 HIS 46 2HE HIS 46 -23.139 -8.070 9.856 393 HA PRO 47 HA PRO 47 -24.068 -4.983 4.278 394 1HB PRO 47 2HB PRO 47 -22.628 -3.901 1.906 395 2HB PRO 47 1HB PRO 47 -23.979 -3.212 2.814 396 1HG PRO 47 2HG PRO 47 -21.514 -2.248 3.104 397 2HG PRO 47 1HG PRO 47 -22.608 -2.392 4.491 398 1HD PRO 47 2HD PRO 47 -20.275 -4.088 3.732 399 2HD PRO 47 1HD PRO 47 -20.857 -3.621 5.342 400 H LYS 48 H LYS 48 -21.396 -6.366 2.456 401 HA LYS 48 HA LYS 48 -23.270 -7.810 0.738 402 1HB LYS 48 2HB LYS 48 -21.436 -6.692 -0.398 403 2HB LYS 48 1HB LYS 48 -20.261 -7.532 0.605 404 1HG LYS 48 2HG LYS 48 -20.151 -8.820 -1.261 405 2HG LYS 48 1HG LYS 48 -21.448 -9.663 -0.413 406 1HD LYS 48 2HD LYS 48 -22.051 -9.323 -2.739 407 2HD LYS 48 1HD LYS 48 -23.103 -8.370 -1.692 408 1HE LYS 48 2HE LYS 48 -22.041 -6.362 -2.264 409 2HE LYS 48 1HE LYS 48 -20.628 -7.193 -2.912 410 1HZ LYS 48 1HZ LYS 48 -23.262 -6.776 -4.139 411 2HZ LYS 48 2HZ LYS 48 -22.368 -8.144 -4.575 412 3HZ LYS 48 3HZ LYS 48 -21.721 -6.601 -4.816 413 H LYS 49 H LYS 49 -20.185 -9.279 1.379 414 HA LYS 49 HA LYS 49 -21.585 -11.429 2.812 415 1HB LYS 49 2HB LYS 49 -19.670 -11.412 0.647 416 2HB LYS 49 1HB LYS 49 -19.073 -12.371 1.995 417 1HG LYS 49 2HG LYS 49 -20.261 -13.803 0.496 418 2HG LYS 49 1HG LYS 49 -21.203 -13.634 1.978 419 1HD LYS 49 2HD LYS 49 -22.746 -12.174 0.947 420 2HD LYS 49 1HD LYS 49 -21.691 -11.923 -0.445 421 1HE LYS 49 2HE LYS 49 -23.097 -13.432 -1.382 422 2HE LYS 49 1HE LYS 49 -21.988 -14.569 -0.618 423 1HZ LYS 49 1HZ LYS 49 -24.425 -13.589 0.744 424 2HZ LYS 49 2HZ LYS 49 -23.473 -14.928 1.143 425 3HZ LYS 49 3HZ LYS 49 -24.437 -14.960 -0.247 426 H GLY 50 H GLY 50 -18.680 -9.419 2.828 427 1HA GLY 50 2HA GLY 50 -17.274 -8.834 4.549 428 2HA GLY 50 1HA GLY 50 -18.510 -9.423 5.650 429 H VAL 51 H VAL 51 -16.806 -11.281 3.173 430 HA VAL 51 HA VAL 51 -15.513 -12.820 5.326 431 HB VAL 51 HB VAL 51 -15.818 -14.864 3.930 432 1HG1 VAL 51 1HG1 VAL 51 -18.502 -13.682 4.531 433 2HG1 VAL 51 2HG1 VAL 51 -17.358 -14.035 5.826 434 3HG1 VAL 51 3HG1 VAL 51 -17.932 -15.332 4.778 435 1HG2 VAL 51 1HG2 VAL 51 -17.163 -12.893 2.179 436 2HG2 VAL 51 2HG2 VAL 51 -17.938 -14.469 2.341 437 3HG2 VAL 51 3HG2 VAL 51 -16.276 -14.360 1.766 438 H GLU 52 H GLU 52 -15.451 -12.210 1.819 439 HA GLU 52 HA GLU 52 -12.519 -12.452 1.897 440 1HB GLU 52 2HB GLU 52 -13.966 -12.703 -0.686 441 2HB GLU 52 1HB GLU 52 -12.487 -13.485 -0.152 442 1HG GLU 52 2HG GLU 52 -14.318 -14.588 1.521 443 2HG GLU 52 1HG GLU 52 -15.265 -14.361 0.052 444 H LYS 53 H LYS 53 -15.195 -10.945 0.193 445 HA LYS 53 HA LYS 53 -14.374 -9.066 -1.396 446 1HB LYS 53 2HB LYS 53 -16.503 -9.261 0.462 447 2HB LYS 53 1HB LYS 53 -15.918 -7.607 0.498 448 1HG LYS 53 2HG LYS 53 -17.734 -7.871 -1.106 449 2HG LYS 53 1HG LYS 53 -16.229 -7.421 -1.911 450 1HD LYS 53 2HD LYS 53 -15.921 -9.973 -2.231 451 2HD LYS 53 1HD LYS 53 -17.651 -10.059 -1.894 452 1HE LYS 53 2HE LYS 53 -16.251 -8.655 -4.151 453 2HE LYS 53 1HE LYS 53 -17.467 -9.928 -4.239 454 1HZ LYS 53 1HZ LYS 53 -18.815 -8.037 -2.936 455 2HZ LYS 53 2HZ LYS 53 -18.825 -8.195 -4.621 456 3HZ LYS 53 3HZ LYS 53 -17.802 -7.068 -3.883 457 H TYR 54 H TYR 54 -14.690 -7.961 1.932 458 HA TYR 54 HA TYR 54 -12.041 -6.829 1.974 459 1HB TYR 54 2HB TYR 54 -14.068 -5.263 0.910 460 2HB TYR 54 1HB TYR 54 -13.965 -4.724 2.584 461 HD1 TYR 54 1HD TYR 54 -11.647 -5.560 -0.235 462 HD2 TYR 54 2HD TYR 54 -12.543 -2.967 3.018 463 HE1 TYR 54 1HE TYR 54 -9.699 -4.173 -0.810 464 HE2 TYR 54 2HE TYR 54 -10.599 -1.575 2.451 465 HH TYR 54 HH TYR 54 -8.206 -2.575 0.218 466 H GLY 55 H GLY 55 -13.802 -8.703 3.478 467 1HA GLY 55 2HA GLY 55 -14.268 -7.356 6.013 468 2HA GLY 55 1HA GLY 55 -14.586 -9.051 5.647 469 HA PRO 56 HA PRO 56 -10.917 -9.396 8.292 470 1HB PRO 56 2HB PRO 56 -11.548 -12.264 8.190 471 2HB PRO 56 1HB PRO 56 -11.434 -11.195 9.591 472 1HG PRO 56 2HG PRO 56 -13.791 -12.171 8.726 473 2HG PRO 56 1HG PRO 56 -13.644 -10.561 9.457 474 1HD PRO 56 2HD PRO 56 -13.865 -11.321 6.567 475 2HD PRO 56 1HD PRO 56 -14.632 -9.977 7.441 476 H GLU 57 H GLU 57 -11.660 -10.462 5.188 477 HA GLU 57 HA GLU 57 -9.182 -11.916 4.784 478 1HB GLU 57 2HB GLU 57 -11.734 -11.612 3.348 479 2HB GLU 57 1HB GLU 57 -10.317 -11.814 2.336 480 1HG GLU 57 2HG GLU 57 -11.218 -13.677 4.521 481 2HG GLU 57 1HG GLU 57 -11.382 -13.946 2.788 482 H ALA 58 H ALA 58 -10.764 -8.902 3.640 483 HA ALA 58 HA ALA 58 -9.116 -8.028 1.697 484 1HB ALA 58 1HB ALA 58 -10.840 -6.786 3.537 485 2HB ALA 58 2HB ALA 58 -10.226 -6.135 2.018 486 3HB ALA 58 3HB ALA 58 -9.353 -5.841 3.521 487 H SER 59 H SER 59 -8.221 -8.299 5.071 488 HA SER 59 HA SER 59 -5.807 -6.823 4.924 489 1HB SER 59 2HB SER 59 -5.947 -9.105 6.818 490 2HB SER 59 1HB SER 59 -5.505 -7.423 7.110 491 HG SER 59 HG SER 59 -7.433 -7.360 7.966 492 H ALA 60 H ALA 60 -6.486 -10.302 4.774 493 HA ALA 60 HA ALA 60 -4.061 -11.435 4.480 494 1HB ALA 60 1HB ALA 60 -6.060 -12.761 4.449 495 2HB ALA 60 2HB ALA 60 -5.128 -13.112 2.994 496 3HB ALA 60 3HB ALA 60 -6.547 -12.068 2.901 497 H PHE 61 H PHE 61 -5.859 -9.775 1.900 498 HA PHE 61 HA PHE 61 -4.334 -10.264 -0.300 499 1HB PHE 61 2HB PHE 61 -6.100 -8.880 -0.798 500 2HB PHE 61 1HB PHE 61 -5.877 -7.894 0.641 501 HD1 PHE 61 1HD PHE 61 -4.957 -5.786 0.439 502 HD2 PHE 61 2HD PHE 61 -4.296 -8.640 -2.647 503 HE1 PHE 61 1HE PHE 61 -3.862 -4.053 -0.925 504 HE2 PHE 61 2HE PHE 61 -3.200 -6.914 -4.015 505 HZ PHE 61 HZ PHE 61 -2.981 -4.617 -3.154 506 H THR 62 H THR 62 -3.675 -7.847 2.201 507 HA THR 62 HA THR 62 -1.094 -7.210 1.043 508 HB THR 62 HB THR 62 -1.717 -6.203 3.745 509 HG1 THR 62 1HG THR 62 -3.783 -6.085 3.026 510 1HG2 THR 62 1HG2 THR 62 -0.958 -4.865 1.160 511 2HG2 THR 62 2HG2 THR 62 0.100 -5.223 2.526 512 3HG2 THR 62 3HG2 THR 62 -1.190 -4.034 2.699 513 H LYS 63 H LYS 63 -2.359 -8.685 4.018 514 HA LYS 63 HA LYS 63 -0.016 -9.225 5.342 515 1HB LYS 63 2HB LYS 63 -2.421 -11.036 5.195 516 2HB LYS 63 1HB LYS 63 -1.181 -11.069 6.437 517 1HG LYS 63 2HG LYS 63 -1.825 -8.845 7.169 518 2HG LYS 63 1HG LYS 63 -3.041 -8.764 5.893 519 1HD LYS 63 2HD LYS 63 -4.399 -10.347 6.915 520 2HD LYS 63 1HD LYS 63 -3.073 -11.009 7.873 521 1HE LYS 63 2HE LYS 63 -3.092 -9.176 9.353 522 2HE LYS 63 1HE LYS 63 -4.091 -8.210 8.269 523 1HZ LYS 63 1HZ LYS 63 -5.097 -10.730 9.436 524 2HZ LYS 63 2HZ LYS 63 -5.978 -9.438 8.791 525 3HZ LYS 63 3HZ LYS 63 -5.201 -9.269 10.284 526 H LYS 64 H LYS 64 -1.292 -10.749 2.497 527 HA LYS 64 HA LYS 64 0.446 -13.040 2.609 528 1HB LYS 64 2HB LYS 64 -1.488 -11.938 0.593 529 2HB LYS 64 1HB LYS 64 -0.354 -13.199 0.129 530 1HG LYS 64 2HG LYS 64 -1.258 -14.505 2.127 531 2HG LYS 64 1HG LYS 64 -2.572 -13.327 2.138 532 1HD LYS 64 2HD LYS 64 -3.360 -14.003 0.054 533 2HD LYS 64 1HD LYS 64 -1.830 -14.768 -0.381 534 1HE LYS 64 2HE LYS 64 -2.241 -16.471 1.373 535 2HE LYS 64 1HE LYS 64 -3.817 -15.737 1.672 536 1HZ LYS 64 1HZ LYS 64 -4.114 -16.123 -0.864 537 2HZ LYS 64 2HZ LYS 64 -4.345 -17.405 0.214 538 3HZ LYS 64 3HZ LYS 64 -2.898 -17.280 -0.652 539 H MET 65 H MET 65 0.414 -9.866 1.188 540 HA MET 65 HA MET 65 2.891 -10.351 -0.276 541 1HB MET 65 2HB MET 65 1.420 -7.729 -0.101 542 2HB MET 65 1HB MET 65 2.519 -8.284 -1.357 543 1HG MET 65 2HG MET 65 0.931 -9.677 -2.311 544 2HG MET 65 1HG MET 65 -0.065 -9.700 -0.857 545 1HE MET 65 1HE MET 65 0.399 -5.764 -3.181 546 2HE MET 65 2HE MET 65 1.200 -7.211 -3.794 547 3HE MET 65 3HE MET 65 1.629 -6.570 -2.207 548 H VAL 66 H VAL 66 2.074 -9.661 2.811 549 HA VAL 66 HA VAL 66 4.422 -7.943 3.254 550 HB VAL 66 HB VAL 66 1.892 -8.172 4.888 551 1HG1 VAL 66 1HG1 VAL 66 4.528 -7.005 5.488 552 2HG1 VAL 66 2HG1 VAL 66 3.278 -7.618 6.571 553 3HG1 VAL 66 3HG1 VAL 66 3.129 -6.004 5.878 554 1HG2 VAL 66 1HG2 VAL 66 1.088 -6.608 3.538 555 2HG2 VAL 66 2HG2 VAL 66 2.609 -6.541 2.648 556 3HG2 VAL 66 3HG2 VAL 66 2.375 -5.527 4.070 557 H GLU 67 H GLU 67 2.536 -10.670 4.537 558 HA GLU 67 HA GLU 67 4.704 -11.302 6.389 559 1HB GLU 67 2HB GLU 67 1.890 -11.583 6.491 560 2HB GLU 67 1HB GLU 67 2.565 -13.207 6.512 561 1HG GLU 67 2HG GLU 67 3.252 -12.995 8.607 562 2HG GLU 67 1HG GLU 67 4.008 -11.436 8.280 563 H ASN 68 H ASN 68 2.605 -13.554 4.627 564 HA ASN 68 HA ASN 68 4.541 -15.535 4.345 565 1HB ASN 68 2HB ASN 68 1.956 -14.972 2.926 566 2HB ASN 68 1HB ASN 68 2.983 -16.308 2.411 567 1HD2 ASN 68 1HD2 ASN 68 0.606 -17.043 3.171 568 2HD2 ASN 68 2HD2 ASN 68 0.601 -17.739 4.752 569 H ALA 69 H ALA 69 4.067 -12.654 2.526 570 HA ALA 69 HA ALA 69 5.212 -13.422 0.075 571 1HB ALA 69 1HB ALA 69 4.082 -11.131 1.118 572 2HB ALA 69 2HB ALA 69 4.748 -11.323 -0.503 573 3HB ALA 69 3HB ALA 69 5.750 -10.663 0.791 574 H LYS 70 H LYS 70 7.290 -12.104 -0.663 575 HA LYS 70 HA LYS 70 9.444 -13.120 1.008 576 1HB LYS 70 2HB LYS 70 9.033 -12.801 -1.790 577 2HB LYS 70 1HB LYS 70 10.424 -11.824 -1.343 578 1HG LYS 70 2HG LYS 70 11.711 -13.614 -0.916 579 2HG LYS 70 1HG LYS 70 10.382 -14.534 -0.208 580 1HD LYS 70 2HD LYS 70 9.782 -14.247 -2.944 581 2HD LYS 70 1HD LYS 70 11.489 -14.683 -2.852 582 1HE LYS 70 2HE LYS 70 9.725 -16.215 -1.074 583 2HE LYS 70 1HE LYS 70 9.428 -16.456 -2.794 584 1HZ LYS 70 1HZ LYS 70 11.096 -17.984 -1.718 585 2HZ LYS 70 2HZ LYS 70 12.134 -16.653 -1.612 586 3HZ LYS 70 3HZ LYS 70 11.614 -17.201 -3.126 587 H LYS 71 H LYS 71 9.113 -10.125 -0.908 588 HA LYS 71 HA LYS 71 9.290 -8.305 1.174 589 1HB LYS 71 2HB LYS 71 11.708 -7.603 0.923 590 2HB LYS 71 1HB LYS 71 11.436 -9.113 1.783 591 1HG LYS 71 2HG LYS 71 11.748 -10.039 -0.732 592 2HG LYS 71 1HG LYS 71 12.781 -8.608 -0.781 593 1HD LYS 71 2HD LYS 71 12.995 -10.462 1.544 594 2HD LYS 71 1HD LYS 71 13.726 -10.932 0.007 595 1HE LYS 71 2HE LYS 71 14.254 -8.190 1.024 596 2HE LYS 71 1HE LYS 71 15.054 -9.539 1.832 597 1HZ LYS 71 1HZ LYS 71 16.295 -10.020 0.003 598 2HZ LYS 71 2HZ LYS 71 16.125 -8.355 -0.231 599 3HZ LYS 71 3HZ LYS 71 15.147 -9.433 -1.093 600 H ILE 72 H ILE 72 8.893 -6.316 0.411 601 HA ILE 72 HA ILE 72 8.930 -5.940 -2.485 602 HB ILE 72 HB ILE 72 7.667 -4.191 -0.382 603 1HG1 ILE 72 2HG1 ILE 72 5.610 -5.394 -1.720 604 2HG1 ILE 72 1HG1 ILE 72 6.797 -6.691 -1.632 605 1HG2 ILE 72 1HG2 ILE 72 7.852 -2.818 -2.213 606 2HG2 ILE 72 2HG2 ILE 72 6.270 -3.551 -2.478 607 3HG2 ILE 72 3HG2 ILE 72 7.676 -4.145 -3.355 608 1HD1 ILE 72 1HD1 ILE 72 5.004 -5.878 0.346 609 2HD1 ILE 72 2HD1 ILE 72 6.605 -5.380 0.901 610 3HD1 ILE 72 3HD1 ILE 72 6.301 -7.066 0.484 611 H GLU 73 H GLU 73 9.564 -3.832 -3.331 612 HA GLU 73 HA GLU 73 11.480 -2.323 -1.740 613 1HB GLU 73 2HB GLU 73 13.150 -2.450 -3.625 614 2HB GLU 73 1HB GLU 73 12.943 -3.935 -2.707 615 1HG GLU 73 2HG GLU 73 11.100 -4.037 -4.827 616 2HG GLU 73 1HG GLU 73 12.628 -3.481 -5.506 617 H VAL 74 H VAL 74 11.623 -0.197 -2.322 618 HA VAL 74 HA VAL 74 9.728 0.690 -4.365 619 HB VAL 74 HB VAL 74 11.231 2.382 -2.364 620 1HG1 VAL 74 1HG1 VAL 74 9.241 3.917 -2.841 621 2HG1 VAL 74 2HG1 VAL 74 8.965 2.909 -4.260 622 3HG1 VAL 74 3HG1 VAL 74 10.486 3.784 -4.082 623 1HG2 VAL 74 1HG2 VAL 74 9.396 0.495 -1.688 624 2HG2 VAL 74 2HG2 VAL 74 8.364 1.901 -1.942 625 3HG2 VAL 74 3HG2 VAL 74 9.688 1.978 -0.779 626 H GLU 75 H GLU 75 10.557 0.862 -6.341 627 HA GLU 75 HA GLU 75 13.281 1.950 -6.628 628 1HB GLU 75 2HB GLU 75 13.171 0.872 -8.928 629 2HB GLU 75 1HB GLU 75 13.277 -0.219 -7.553 630 1HG GLU 75 2HG GLU 75 11.129 -0.974 -7.808 631 2HG GLU 75 1HG GLU 75 10.595 0.493 -8.626 632 H PHE 76 H PHE 76 13.146 4.061 -6.999 633 HA PHE 76 HA PHE 76 12.292 5.144 -9.385 634 1HB PHE 76 2HB PHE 76 10.191 6.079 -9.078 635 2HB PHE 76 1HB PHE 76 10.010 4.537 -8.257 636 HD1 PHE 76 1HD PHE 76 10.416 8.156 -7.794 637 HD2 PHE 76 2HD PHE 76 9.655 4.422 -5.898 638 HE1 PHE 76 1HE PHE 76 9.709 9.340 -5.756 639 HE2 PHE 76 2HE PHE 76 8.946 5.601 -3.856 640 HZ PHE 76 HZ PHE 76 8.973 8.063 -3.784 641 H ASP 77 H ASP 77 13.659 6.790 -9.556 642 HA ASP 77 HA ASP 77 14.234 8.383 -7.144 643 1HB ASP 77 2HB ASP 77 16.085 8.274 -9.507 644 2HB ASP 77 1HB ASP 77 16.449 8.678 -7.833 645 H LYS 78 H LYS 78 12.272 9.594 -7.772 646 HA LYS 78 HA LYS 78 12.975 11.707 -9.690 647 1HB LYS 78 2HB LYS 78 10.919 9.808 -10.043 648 2HB LYS 78 1HB LYS 78 10.122 11.317 -9.619 649 1HG LYS 78 2HG LYS 78 12.250 11.557 -11.630 650 2HG LYS 78 1HG LYS 78 10.842 10.614 -12.126 651 1HD LYS 78 2HD LYS 78 9.383 12.420 -11.831 652 2HD LYS 78 1HD LYS 78 10.539 13.306 -10.834 653 1HE LYS 78 2HE LYS 78 12.009 13.311 -12.960 654 2HE LYS 78 1HE LYS 78 10.512 12.917 -13.804 655 1HZ LYS 78 1HZ LYS 78 10.338 15.146 -13.888 656 2HZ LYS 78 2HZ LYS 78 11.329 15.402 -12.541 657 3HZ LYS 78 3HZ LYS 78 9.708 14.969 -12.326 658 H GLY 79 H GLY 79 10.583 10.822 -7.191 659 1HA GLY 79 2HA GLY 79 11.095 12.600 -5.253 660 2HA GLY 79 1HA GLY 79 10.285 13.611 -6.440 661 H GLN 80 H GLN 80 8.098 13.546 -6.611 662 HA GLN 80 HA GLN 80 6.709 11.800 -4.697 663 1HB GLN 80 2HB GLN 80 5.565 14.259 -6.011 664 2HB GLN 80 1HB GLN 80 4.978 13.424 -4.579 665 1HG GLN 80 2HG GLN 80 7.487 15.063 -4.830 666 2HG GLN 80 1HG GLN 80 6.035 15.459 -3.911 667 1HE2 GLN 80 1HE2 GLN 80 5.764 14.635 -1.900 668 2HE2 GLN 80 2HE2 GLN 80 6.936 13.660 -1.090 669 H ARG 81 H ARG 81 5.577 10.157 -5.470 670 HA ARG 81 HA ARG 81 5.015 10.007 -8.319 671 1HB ARG 81 2HB ARG 81 4.342 7.676 -7.818 672 2HB ARG 81 1HB ARG 81 5.976 8.041 -7.284 673 1HG ARG 81 2HG ARG 81 5.222 8.263 -5.000 674 2HG ARG 81 1HG ARG 81 3.549 8.015 -5.502 675 1HD ARG 81 2HD ARG 81 3.796 5.786 -5.667 676 2HD ARG 81 1HD ARG 81 5.413 5.917 -6.361 677 HE ARG 81 HE ARG 81 5.291 6.558 -3.559 678 1HH1 ARG 81 1HH1 ARG 81 5.644 3.993 -5.900 679 2HH1 ARG 81 2HH1 ARG 81 6.471 2.938 -4.805 680 1HH2 ARG 81 1HH2 ARG 81 6.379 5.170 -2.117 681 2HH2 ARG 81 2HH2 ARG 81 6.889 3.605 -2.657 682 H THR 82 H THR 82 3.331 10.401 -5.287 683 HA THR 82 HA THR 82 0.748 10.301 -6.685 684 HB THR 82 HB THR 82 0.828 10.595 -3.737 685 HG1 THR 82 1HG THR 82 1.610 8.205 -5.046 686 1HG2 THR 82 1HG2 THR 82 -0.990 9.079 -3.757 687 2HG2 THR 82 2HG2 THR 82 -0.675 8.626 -5.433 688 3HG2 THR 82 3HG2 THR 82 -1.265 10.244 -5.052 689 H ASP 83 H ASP 83 -0.778 11.976 -6.410 690 HA ASP 83 HA ASP 83 0.448 14.570 -5.764 691 1HB ASP 83 2HB ASP 83 -1.377 13.657 -7.869 692 2HB ASP 83 1HB ASP 83 -1.888 15.154 -7.097 693 H LYS 84 H LYS 84 -1.967 12.345 -4.794 694 HA LYS 84 HA LYS 84 -3.737 14.192 -3.535 695 1HB LYS 84 2HB LYS 84 -4.195 11.893 -2.165 696 2HB LYS 84 1HB LYS 84 -4.921 12.275 -3.718 697 1HG LYS 84 2HG LYS 84 -3.355 10.921 -4.878 698 2HG LYS 84 1HG LYS 84 -2.357 10.726 -3.436 699 1HD LYS 84 2HD LYS 84 -3.483 8.745 -3.371 700 2HD LYS 84 1HD LYS 84 -4.622 9.743 -2.463 701 1HE LYS 84 2HE LYS 84 -6.053 8.772 -3.957 702 2HE LYS 84 1HE LYS 84 -5.599 10.214 -4.862 703 1HZ LYS 84 1HZ LYS 84 -5.018 8.826 -6.477 704 2HZ LYS 84 2HZ LYS 84 -5.125 7.467 -5.477 705 3HZ LYS 84 3HZ LYS 84 -3.696 8.370 -5.525 706 H TYR 85 H TYR 85 -1.935 11.667 -1.811 707 HA TYR 85 HA TYR 85 -1.354 13.645 0.288 708 1HB TYR 85 2HB TYR 85 -2.756 11.510 0.746 709 2HB TYR 85 1HB TYR 85 -1.212 10.668 0.679 710 HD1 TYR 85 1HD TYR 85 0.430 10.941 2.433 711 HD2 TYR 85 2HD TYR 85 -3.248 13.075 2.554 712 HE1 TYR 85 1HE TYR 85 0.845 11.509 4.789 713 HE2 TYR 85 2HE TYR 85 -2.843 13.652 4.911 714 HH TYR 85 HH TYR 85 -1.064 12.226 6.873 715 H GLY 86 H GLY 86 0.047 11.487 -2.012 716 1HA GLY 86 2HA GLY 86 2.271 11.522 -2.731 717 2HA GLY 86 1HA GLY 86 2.697 12.444 -1.297 718 H ARG 87 H ARG 87 0.977 10.135 0.057 719 HA ARG 87 HA ARG 87 3.149 8.155 0.103 720 1HB ARG 87 2HB ARG 87 1.782 9.500 2.414 721 2HB ARG 87 1HB ARG 87 2.518 7.917 2.599 722 1HG ARG 87 2HG ARG 87 4.046 10.254 1.510 723 2HG ARG 87 1HG ARG 87 3.912 9.944 3.241 724 1HD ARG 87 2HD ARG 87 4.862 7.702 2.893 725 2HD ARG 87 1HD ARG 87 5.030 8.052 1.174 726 HE ARG 87 HE ARG 87 6.937 9.203 1.653 727 1HH1 ARG 87 1HH1 ARG 87 5.041 8.964 4.573 728 2HH1 ARG 87 2HH1 ARG 87 6.258 9.687 5.572 729 1HH2 ARG 87 1HH2 ARG 87 8.538 10.152 2.965 730 2HH2 ARG 87 2HH2 ARG 87 8.243 10.361 4.658 731 H GLY 88 H GLY 88 -0.254 8.830 0.166 732 1HA GLY 88 2HA GLY 88 -1.230 6.356 1.066 733 2HA GLY 88 1HA GLY 88 -2.095 7.473 0.022 734 H LEU 89 H LEU 89 -1.641 7.359 -2.300 735 HA LEU 89 HA LEU 89 -1.645 4.642 -3.184 736 1HB LEU 89 2HB LEU 89 -2.154 7.283 -4.340 737 2HB LEU 89 1HB LEU 89 -1.404 6.164 -5.462 738 HG LEU 89 HG LEU 89 -3.778 6.037 -5.743 739 1HD1 LEU 89 1HD1 LEU 89 -3.281 3.590 -4.127 740 2HD1 LEU 89 2HD1 LEU 89 -2.261 3.903 -5.532 741 3HD1 LEU 89 3HD1 LEU 89 -4.009 3.762 -5.724 742 1HD2 LEU 89 1HD2 LEU 89 -5.341 5.745 -4.042 743 2HD2 LEU 89 2HD2 LEU 89 -4.191 6.891 -3.353 744 3HD2 LEU 89 3HD2 LEU 89 -4.126 5.190 -2.890 745 H ALA 90 H ALA 90 0.113 3.450 -3.444 746 HA ALA 90 HA ALA 90 2.436 4.602 -4.789 747 1HB ALA 90 1HB ALA 90 3.944 3.473 -3.109 748 2HB ALA 90 2HB ALA 90 2.522 3.294 -2.080 749 3HB ALA 90 3HB ALA 90 3.086 4.903 -2.533 750 H TYR 91 H TYR 91 3.925 2.970 -5.607 751 HA TYR 91 HA TYR 91 2.479 0.624 -6.512 752 1HB TYR 91 2HB TYR 91 4.962 2.050 -7.325 753 2HB TYR 91 1HB TYR 91 4.856 0.333 -7.699 754 HD1 TYR 91 1HD TYR 91 2.734 -0.447 -8.960 755 HD2 TYR 91 2HD TYR 91 3.992 3.612 -8.751 756 HE1 TYR 91 1HE TYR 91 1.388 0.066 -10.954 757 HE2 TYR 91 2HE TYR 91 2.647 4.138 -10.743 758 HH TYR 91 HH TYR 91 0.317 2.022 -11.999 759 H ILE 92 H ILE 92 3.012 -1.489 -6.093 760 HA ILE 92 HA ILE 92 5.011 -1.919 -3.968 761 HB ILE 92 HB ILE 92 2.575 -3.624 -4.471 762 1HG1 ILE 92 2HG1 ILE 92 2.983 -1.451 -2.404 763 2HG1 ILE 92 1HG1 ILE 92 1.897 -1.362 -3.786 764 1HG2 ILE 92 1HG2 ILE 92 4.691 -4.508 -3.287 765 2HG2 ILE 92 2HG2 ILE 92 3.120 -4.774 -2.530 766 3HG2 ILE 92 3HG2 ILE 92 4.174 -3.488 -1.945 767 1HD1 ILE 92 1HD1 ILE 92 0.482 -3.033 -2.884 768 2HD1 ILE 92 2HD1 ILE 92 0.819 -1.883 -1.590 769 3HD1 ILE 92 3HD1 ILE 92 1.653 -3.437 -1.629 770 H TYR 93 H TYR 93 6.748 -2.959 -4.670 771 HA TYR 93 HA TYR 93 6.437 -4.928 -6.841 772 1HB TYR 93 2HB TYR 93 8.956 -3.426 -6.115 773 2HB TYR 93 1HB TYR 93 8.692 -4.439 -7.531 774 HD1 TYR 93 1HD TYR 93 9.226 -1.232 -6.765 775 HD2 TYR 93 2HD TYR 93 6.214 -3.570 -8.650 776 HE1 TYR 93 1HE TYR 93 8.495 0.743 -8.034 777 HE2 TYR 93 2HE TYR 93 5.474 -1.601 -9.923 778 HH TYR 93 HH TYR 93 5.570 0.816 -9.797 779 H ALA 94 H ALA 94 5.896 -6.496 -5.165 780 HA ALA 94 HA ALA 94 7.878 -7.234 -3.224 781 1HB ALA 94 1HB ALA 94 5.453 -7.490 -2.827 782 2HB ALA 94 2HB ALA 94 6.351 -8.991 -2.600 783 3HB ALA 94 3HB ALA 94 5.409 -8.741 -4.070 784 H ASP 95 H ASP 95 9.731 -7.802 -4.302 785 HA ASP 95 HA ASP 95 11.218 -9.179 -5.320 786 1HB ASP 95 2HB ASP 95 8.974 -11.007 -4.644 787 2HB ASP 95 1HB ASP 95 10.143 -11.591 -5.826 788 H GLY 96 H GLY 96 9.900 -7.392 -6.915 789 1HA GLY 96 2HA GLY 96 9.467 -6.912 -9.117 790 2HA GLY 96 1HA GLY 96 10.361 -8.378 -9.492 791 H LYS 97 H LYS 97 7.531 -8.524 -7.485 792 HA LYS 97 HA LYS 97 5.992 -9.588 -9.748 793 1HB LYS 97 2HB LYS 97 7.020 -11.179 -7.821 794 2HB LYS 97 1HB LYS 97 5.472 -10.774 -7.094 795 1HG LYS 97 2HG LYS 97 4.348 -12.102 -8.486 796 2HG LYS 97 1HG LYS 97 5.245 -11.532 -9.895 797 1HD LYS 97 2HD LYS 97 6.457 -13.428 -7.904 798 2HD LYS 97 1HD LYS 97 5.480 -14.000 -9.259 799 1HE LYS 97 2HE LYS 97 7.078 -13.524 -10.783 800 2HE LYS 97 1HE LYS 97 7.593 -12.064 -9.940 801 1HZ LYS 97 1HZ LYS 97 8.561 -14.789 -9.687 802 2HZ LYS 97 2HZ LYS 97 8.420 -13.929 -8.237 803 3HZ LYS 97 3HZ LYS 97 9.383 -13.324 -9.488 804 H MET 98 H MET 98 3.692 -9.492 -9.542 805 HA MET 98 HA MET 98 2.776 -7.432 -7.643 806 1HB MET 98 2HB MET 98 2.427 -7.678 -10.564 807 2HB MET 98 1HB MET 98 0.975 -7.243 -9.671 808 1HG MET 98 2HG MET 98 1.723 -5.186 -9.198 809 2HG MET 98 1HG MET 98 3.376 -5.734 -8.927 810 1HE MET 98 1HE MET 98 3.706 -2.881 -11.056 811 2HE MET 98 2HE MET 98 5.077 -3.982 -11.182 812 3HE MET 98 3HE MET 98 4.216 -3.815 -9.650 813 H VAL 99 H VAL 99 1.846 -8.677 -6.108 814 HA VAL 99 HA VAL 99 0.298 -11.005 -6.676 815 HB VAL 99 HB VAL 99 0.197 -9.443 -4.104 816 1HG1 VAL 99 1HG1 VAL 99 -0.127 -11.663 -3.115 817 2HG1 VAL 99 2HG1 VAL 99 -0.058 -12.384 -4.723 818 3HG1 VAL 99 3HG1 VAL 99 -1.374 -11.287 -4.304 819 1HG2 VAL 99 1HG2 VAL 99 2.114 -10.959 -3.404 820 2HG2 VAL 99 2HG2 VAL 99 2.515 -9.621 -4.480 821 3HG2 VAL 99 3HG2 VAL 99 2.367 -11.256 -5.123 822 H ASN 100 H ASN 100 -0.413 -7.746 -6.993 823 HA ASN 100 HA ASN 100 -2.929 -7.340 -6.009 824 1HB ASN 100 2HB ASN 100 -3.280 -5.860 -8.040 825 2HB ASN 100 1HB ASN 100 -1.830 -5.537 -7.094 826 1HD2 ASN 100 1HD2 ASN 100 -0.577 -4.679 -8.657 827 2HD2 ASN 100 2HD2 ASN 100 -0.052 -5.537 -10.062 828 H GLU 101 H GLU 101 -2.028 -9.338 -8.739 829 HA GLU 101 HA GLU 101 -4.811 -9.718 -9.514 830 1HB GLU 101 2HB GLU 101 -2.172 -10.544 -10.671 831 2HB GLU 101 1HB GLU 101 -3.650 -11.347 -11.186 832 1HG GLU 101 2HG GLU 101 -4.541 -9.364 -12.079 833 2HG GLU 101 1HG GLU 101 -3.339 -8.364 -11.265 834 H ALA 102 H ALA 102 -2.463 -11.212 -7.533 835 HA ALA 102 HA ALA 102 -2.973 -13.891 -7.665 836 1HB ALA 102 1HB ALA 102 -1.992 -14.097 -5.583 837 2HB ALA 102 2HB ALA 102 -2.675 -12.581 -4.997 838 3HB ALA 102 3HB ALA 102 -1.357 -12.560 -6.167 839 H LEU 103 H LEU 103 -4.525 -11.890 -5.135 840 HA LEU 103 HA LEU 103 -6.802 -13.741 -5.287 841 1HB LEU 103 2HB LEU 103 -7.260 -13.355 -2.974 842 2HB LEU 103 1HB LEU 103 -5.588 -13.825 -3.161 843 HG LEU 103 HG LEU 103 -5.742 -12.138 -1.473 844 1HD1 LEU 103 1HD1 LEU 103 -4.690 -10.550 -3.756 845 2HD1 LEU 103 2HD1 LEU 103 -3.912 -12.075 -3.326 846 3HD1 LEU 103 3HD1 LEU 103 -4.030 -10.779 -2.138 847 1HD2 LEU 103 1HD2 LEU 103 -6.630 -9.941 -3.176 848 2HD2 LEU 103 2HD2 LEU 103 -7.033 -10.329 -1.508 849 3HD2 LEU 103 3HD2 LEU 103 -7.869 -11.145 -2.827 850 H VAL 104 H VAL 104 -5.950 -10.332 -5.237 851 HA VAL 104 HA VAL 104 -8.522 -9.291 -4.841 852 HB VAL 104 HB VAL 104 -6.517 -7.985 -6.662 853 1HG1 VAL 104 1HG1 VAL 104 -8.919 -7.127 -6.198 854 2HG1 VAL 104 2HG1 VAL 104 -7.568 -5.995 -6.145 855 3HG1 VAL 104 3HG1 VAL 104 -8.250 -6.625 -4.645 856 1HG2 VAL 104 1HG2 VAL 104 -6.497 -8.074 -3.648 857 2HG2 VAL 104 2HG2 VAL 104 -5.580 -6.916 -4.612 858 3HG2 VAL 104 3HG2 VAL 104 -5.233 -8.640 -4.741 859 H ARG 105 H ARG 105 -7.160 -10.934 -7.526 860 HA ARG 105 HA ARG 105 -8.953 -9.884 -9.506 861 1HB ARG 105 2HB ARG 105 -6.737 -10.765 -10.109 862 2HB ARG 105 1HB ARG 105 -7.222 -12.363 -9.556 863 1HG ARG 105 2HG ARG 105 -8.707 -12.657 -11.331 864 2HG ARG 105 1HG ARG 105 -8.735 -10.934 -11.712 865 1HD ARG 105 2HD ARG 105 -6.675 -10.998 -12.756 866 2HD ARG 105 1HD ARG 105 -6.169 -12.451 -11.895 867 HE ARG 105 HE ARG 105 -7.101 -13.706 -13.558 868 1HH1 ARG 105 1HH1 ARG 105 -8.410 -10.476 -13.738 869 2HH1 ARG 105 2HH1 ARG 105 -9.257 -10.768 -15.221 870 1HH2 ARG 105 1HH2 ARG 105 -8.214 -14.090 -15.510 871 2HH2 ARG 105 2HH2 ARG 105 -9.147 -12.818 -16.226 872 H GLN 106 H GLN 106 -9.042 -12.423 -7.149 873 HA GLN 106 HA GLN 106 -10.947 -14.114 -8.330 874 1HB GLN 106 2HB GLN 106 -10.069 -13.589 -5.518 875 2HB GLN 106 1HB GLN 106 -11.489 -14.584 -5.802 876 1HG GLN 106 2HG GLN 106 -9.824 -15.788 -7.485 877 2HG GLN 106 1HG GLN 106 -8.637 -15.138 -6.355 878 1HE2 GLN 106 1HE2 GLN 106 -11.490 -17.168 -6.642 879 2HE2 GLN 106 2HE2 GLN 106 -11.188 -18.113 -5.228 880 H GLY 107 H GLY 107 -11.258 -10.951 -7.068 881 1HA GLY 107 2HA GLY 107 -13.208 -9.649 -7.457 882 2HA GLY 107 1HA GLY 107 -14.165 -11.124 -7.420 883 H LEU 108 H LEU 108 -11.732 -10.251 -5.054 884 HA LEU 108 HA LEU 108 -13.643 -9.254 -3.170 885 1HB LEU 108 2HB LEU 108 -12.768 -11.140 -1.504 886 2HB LEU 108 1HB LEU 108 -14.214 -11.321 -2.464 887 HG LEU 108 HG LEU 108 -12.509 -13.271 -2.318 888 1HD1 LEU 108 1HD1 LEU 108 -14.353 -12.398 -4.304 889 2HD1 LEU 108 2HD1 LEU 108 -13.925 -14.039 -3.826 890 3HD1 LEU 108 3HD1 LEU 108 -13.009 -13.222 -5.089 891 1HD2 LEU 108 1HD2 LEU 108 -10.603 -13.233 -3.534 892 2HD2 LEU 108 2HD2 LEU 108 -10.705 -11.505 -3.214 893 3HD2 LEU 108 3HD2 LEU 108 -11.269 -12.149 -4.754 894 H ALA 109 H ALA 109 -11.129 -10.794 -1.514 895 HA ALA 109 HA ALA 109 -8.950 -9.123 -1.997 896 1HB ALA 109 1HB ALA 109 -10.513 -7.378 -1.175 897 2HB ALA 109 2HB ALA 109 -9.046 -7.530 -0.209 898 3HB ALA 109 3HB ALA 109 -10.563 -8.212 0.378 899 H LYS 110 H LYS 110 -10.012 -11.849 -0.961 900 HA LYS 110 HA LYS 110 -8.757 -12.210 1.578 901 1HB LYS 110 2HB LYS 110 -9.132 -14.637 1.113 902 2HB LYS 110 1HB LYS 110 -10.584 -13.654 0.994 903 1HG LYS 110 2HG LYS 110 -10.905 -14.223 -1.129 904 2HG LYS 110 1HG LYS 110 -9.230 -13.872 -1.556 905 1HD LYS 110 2HD LYS 110 -8.690 -16.039 -1.541 906 2HD LYS 110 1HD LYS 110 -9.438 -16.282 0.038 907 1HE LYS 110 2HE LYS 110 -11.621 -16.031 -1.569 908 2HE LYS 110 1HE LYS 110 -10.478 -16.823 -2.651 909 1HZ LYS 110 1HZ LYS 110 -12.018 -18.160 -0.987 910 2HZ LYS 110 2HZ LYS 110 -10.706 -17.900 0.048 911 3HZ LYS 110 3HZ LYS 110 -10.476 -18.704 -1.422 Start of MODEL 4 1 1H ALA 1 1HT ALA 1 12.008 22.250 -14.297 2 2H ALA 1 2HT ALA 1 11.706 23.935 -14.438 3 3H ALA 1 3HT ALA 1 12.527 23.321 -13.061 4 HA ALA 1 HA ALA 1 13.457 23.653 -15.805 5 1HB ALA 1 1HB ALA 1 14.227 25.439 -14.644 6 2HB ALA 1 2HB ALA 1 15.507 24.300 -14.222 7 3HB ALA 1 3HB ALA 1 14.180 24.595 -13.096 8 H THR 2 H THR 2 13.917 21.736 -12.872 9 HA THR 2 HA THR 2 15.827 20.041 -14.332 10 HB THR 2 HB THR 2 15.364 20.041 -11.351 11 HG1 THR 2 1HG THR 2 17.204 21.408 -11.263 12 1HG2 THR 2 1HG2 THR 2 17.288 18.838 -11.129 13 2HG2 THR 2 2HG2 THR 2 17.958 19.415 -12.655 14 3HG2 THR 2 3HG2 THR 2 16.684 18.195 -12.656 15 H SER 3 H SER 3 15.452 17.892 -14.602 16 HA SER 3 HA SER 3 12.738 16.984 -14.153 17 1HB SER 3 2HB SER 3 14.452 16.579 -16.207 18 2HB SER 3 1HB SER 3 14.734 15.108 -15.277 19 HG SER 3 HG SER 3 12.568 15.844 -16.769 20 H THR 4 H THR 4 12.093 15.394 -12.781 21 HA THR 4 HA THR 4 13.653 14.865 -10.490 22 HB THR 4 HB THR 4 11.238 14.866 -10.360 23 HG1 THR 4 1HG THR 4 12.159 12.218 -9.949 24 1HG2 THR 4 1HG2 THR 4 10.626 14.046 -12.542 25 2HG2 THR 4 2HG2 THR 4 9.891 13.042 -11.292 26 3HG2 THR 4 3HG2 THR 4 11.308 12.463 -12.169 27 H LYS 5 H LYS 5 14.991 13.235 -9.968 28 HA LYS 5 HA LYS 5 15.661 11.323 -12.066 29 1HB LYS 5 2HB LYS 5 17.029 12.334 -9.608 30 2HB LYS 5 1HB LYS 5 17.500 10.769 -10.257 31 1HG LYS 5 2HG LYS 5 18.970 12.445 -11.127 32 2HG LYS 5 1HG LYS 5 17.945 11.855 -12.437 33 1HD LYS 5 2HD LYS 5 16.710 13.814 -12.525 34 2HD LYS 5 1HD LYS 5 17.130 14.271 -10.873 35 1HE LYS 5 2HE LYS 5 19.357 14.848 -11.529 36 2HE LYS 5 1HE LYS 5 19.108 14.185 -13.142 37 1HZ LYS 5 1HZ LYS 5 17.861 16.609 -11.978 38 2HZ LYS 5 2HZ LYS 5 17.341 15.908 -13.428 39 3HZ LYS 5 3HZ LYS 5 18.913 16.521 -13.301 40 H LYS 6 H LYS 6 15.601 9.107 -11.820 41 HA LYS 6 HA LYS 6 13.728 8.142 -9.821 42 1HB LYS 6 2HB LYS 6 14.970 6.941 -12.282 43 2HB LYS 6 1HB LYS 6 14.093 5.946 -11.127 44 1HG LYS 6 2HG LYS 6 12.586 8.304 -11.862 45 2HG LYS 6 1HG LYS 6 13.030 7.340 -13.272 46 1HD LYS 6 2HD LYS 6 11.888 5.461 -12.498 47 2HD LYS 6 1HD LYS 6 11.862 6.047 -10.833 48 1HE LYS 6 2HE LYS 6 9.706 6.501 -11.405 49 2HE LYS 6 1HE LYS 6 10.457 8.002 -11.945 50 1HZ LYS 6 1HZ LYS 6 10.226 5.743 -13.813 51 2HZ LYS 6 2HZ LYS 6 10.289 7.401 -14.141 52 3HZ LYS 6 3HZ LYS 6 8.874 6.717 -13.516 53 H LEU 7 H LEU 7 14.154 6.317 -8.470 54 HA LEU 7 HA LEU 7 16.976 6.163 -7.673 55 1HB LEU 7 2HB LEU 7 14.584 6.487 -6.204 56 2HB LEU 7 1HB LEU 7 15.206 4.898 -5.803 57 HG LEU 7 HG LEU 7 17.391 5.957 -5.227 58 1HD1 LEU 7 1HD1 LEU 7 17.691 8.255 -5.144 59 2HD1 LEU 7 2HD1 LEU 7 15.961 8.585 -5.222 60 3HD1 LEU 7 3HD1 LEU 7 16.817 8.025 -6.658 61 1HD2 LEU 7 1HD2 LEU 7 16.452 7.134 -3.150 62 2HD2 LEU 7 2HD2 LEU 7 16.054 5.434 -3.390 63 3HD2 LEU 7 3HD2 LEU 7 14.869 6.680 -3.778 64 H HIS 8 H HIS 8 17.881 4.133 -7.077 65 HA HIS 8 HA HIS 8 17.216 2.034 -8.885 66 1HB HIS 8 2HB HIS 8 19.467 2.771 -7.404 67 2HB HIS 8 1HB HIS 8 18.983 1.220 -6.726 68 HD1 HIS 8 1HD HIS 8 21.232 2.406 -9.080 69 HD2 HIS 8 2HD HIS 8 18.356 -0.591 -9.204 70 HE1 HIS 8 1HE HIS 8 21.928 0.886 -10.958 71 HE2 HIS 8 2HE HIS 8 20.223 -0.970 -10.954 72 H LYS 9 H LYS 9 16.611 -0.129 -8.343 73 HA LYS 9 HA LYS 9 14.484 -0.261 -6.479 74 1HB LYS 9 2HB LYS 9 15.853 -2.683 -7.622 75 2HB LYS 9 1HB LYS 9 14.156 -2.473 -7.212 76 1HG LYS 9 2HG LYS 9 14.094 -0.740 -9.082 77 2HG LYS 9 1HG LYS 9 15.653 -1.402 -9.578 78 1HD LYS 9 2HD LYS 9 14.302 -2.730 -10.836 79 2HD LYS 9 1HD LYS 9 14.306 -3.686 -9.353 80 1HE LYS 9 2HE LYS 9 12.248 -2.235 -8.721 81 2HE LYS 9 1HE LYS 9 12.173 -1.898 -10.450 82 1HZ LYS 9 1HZ LYS 9 12.464 -4.693 -9.750 83 2HZ LYS 9 2HZ LYS 9 11.464 -3.963 -10.903 84 3HZ LYS 9 3HZ LYS 9 10.998 -3.991 -9.278 85 H GLU 10 H GLU 10 14.852 -0.131 -4.365 86 HA GLU 10 HA GLU 10 16.970 -1.823 -3.208 87 1HB GLU 10 2HB GLU 10 16.528 0.953 -2.928 88 2HB GLU 10 1HB GLU 10 16.077 0.225 -1.394 89 1HG GLU 10 2HG GLU 10 18.537 -0.913 -2.307 90 2HG GLU 10 1HG GLU 10 18.648 0.846 -2.328 91 HA PRO 11 HA PRO 11 13.950 -4.169 -1.034 92 1HB PRO 11 2HB PRO 11 15.132 -4.313 1.472 93 2HB PRO 11 1HB PRO 11 15.500 -5.375 0.112 94 1HG PRO 11 2HG PRO 11 16.963 -2.958 1.082 95 2HG PRO 11 1HG PRO 11 17.609 -4.485 0.453 96 1HD PRO 11 2HD PRO 11 17.546 -2.268 -1.053 97 2HD PRO 11 1HD PRO 11 17.249 -3.872 -1.756 98 H ALA 12 H ALA 12 12.062 -3.362 -0.462 99 HA ALA 12 HA ALA 12 11.855 -1.639 1.874 100 1HB ALA 12 1HB ALA 12 10.363 -0.834 -0.596 101 2HB ALA 12 2HB ALA 12 12.005 -0.256 -0.306 102 3HB ALA 12 3HB ALA 12 10.721 0.114 0.848 103 H THR 13 H THR 13 10.578 -2.893 3.109 104 HA THR 13 HA THR 13 8.159 -4.009 1.846 105 HB THR 13 HB THR 13 9.780 -5.759 2.476 106 HG1 THR 13 1HG THR 13 8.288 -6.928 3.871 107 1HG2 THR 13 1HG2 THR 13 9.772 -6.170 5.081 108 2HG2 THR 13 2HG2 THR 13 9.668 -4.409 5.109 109 3HG2 THR 13 3HG2 THR 13 11.016 -5.200 4.292 110 H LEU 14 H LEU 14 6.407 -4.478 3.497 111 HA LEU 14 HA LEU 14 5.900 -2.078 4.987 112 1HB LEU 14 2HB LEU 14 4.281 -4.615 4.776 113 2HB LEU 14 1HB LEU 14 3.728 -3.114 5.494 114 HG LEU 14 HG LEU 14 4.663 -2.722 2.771 115 1HD1 LEU 14 1HD1 LEU 14 3.897 -4.662 1.930 116 2HD1 LEU 14 2HD1 LEU 14 2.327 -3.871 2.073 117 3HD1 LEU 14 3HD1 LEU 14 2.870 -4.983 3.327 118 1HD2 LEU 14 1HD2 LEU 14 2.919 -1.267 2.682 119 2HD2 LEU 14 2HD2 LEU 14 3.088 -1.379 4.434 120 3HD2 LEU 14 3HD2 LEU 14 1.847 -2.319 3.605 121 H ILE 15 H ILE 15 5.692 -1.845 7.197 122 HA ILE 15 HA ILE 15 7.308 -3.592 8.793 123 HB ILE 15 HB ILE 15 5.541 -1.351 9.776 124 1HG1 ILE 15 2HG1 ILE 15 8.464 -1.058 9.142 125 2HG1 ILE 15 1HG1 ILE 15 7.250 -0.809 7.893 126 1HG2 ILE 15 1HG2 ILE 15 8.135 -2.081 11.020 127 2HG2 ILE 15 2HG2 ILE 15 6.761 -3.155 11.283 128 3HG2 ILE 15 3HG2 ILE 15 6.660 -1.460 11.758 129 1HD1 ILE 15 1HD1 ILE 15 6.820 0.629 10.429 130 2HD1 ILE 15 2HD1 ILE 15 6.569 1.153 8.764 131 3HD1 ILE 15 3HD1 ILE 15 8.194 1.145 9.452 132 H LYS 16 H LYS 16 3.856 -2.748 8.729 133 HA LYS 16 HA LYS 16 2.967 -5.326 9.375 134 1HB LYS 16 2HB LYS 16 2.176 -4.969 11.680 135 2HB LYS 16 1HB LYS 16 3.929 -4.908 11.572 136 1HG LYS 16 2HG LYS 16 3.023 -2.270 11.225 137 2HG LYS 16 1HG LYS 16 2.105 -2.945 12.571 138 1HD LYS 16 2HD LYS 16 4.059 -3.430 13.794 139 2HD LYS 16 1HD LYS 16 5.093 -3.213 12.380 140 1HE LYS 16 2HE LYS 16 4.853 -0.882 12.426 141 2HE LYS 16 1HE LYS 16 3.451 -0.960 13.490 142 1HZ LYS 16 1HZ LYS 16 4.890 -1.730 15.271 143 2HZ LYS 16 2HZ LYS 16 5.424 -0.239 14.679 144 3HZ LYS 16 3HZ LYS 16 6.237 -1.657 14.250 145 H ALA 17 H ALA 17 1.590 -4.736 7.662 146 HA ALA 17 HA ALA 17 -0.135 -2.476 7.788 147 1HB ALA 17 1HB ALA 17 -0.230 -4.956 6.079 148 2HB ALA 17 2HB ALA 17 0.454 -3.388 5.649 149 3HB ALA 17 3HB ALA 17 -1.287 -3.560 5.872 150 H ILE 18 H ILE 18 -1.831 -2.241 9.077 151 HA ILE 18 HA ILE 18 -2.920 -4.260 10.685 152 HB ILE 18 HB ILE 18 -4.349 -1.744 9.844 153 1HG1 ILE 18 2HG1 ILE 18 -2.155 -1.097 10.619 154 2HG1 ILE 18 1HG1 ILE 18 -3.323 -0.731 11.882 155 1HG2 ILE 18 1HG2 ILE 18 -5.323 -3.788 11.289 156 2HG2 ILE 18 2HG2 ILE 18 -5.805 -2.109 11.528 157 3HG2 ILE 18 3HG2 ILE 18 -4.582 -2.832 12.573 158 1HD1 ILE 18 1HD1 ILE 18 -2.466 -3.296 12.470 159 2HD1 ILE 18 2HD1 ILE 18 -1.978 -1.805 13.274 160 3HD1 ILE 18 3HD1 ILE 18 -1.010 -2.450 11.948 161 H ASP 19 H ASP 19 -4.452 -2.606 7.949 162 HA ASP 19 HA ASP 19 -5.307 -4.780 6.508 163 1HB ASP 19 2HB ASP 19 -7.663 -5.062 7.191 164 2HB ASP 19 1HB ASP 19 -6.568 -5.488 8.499 165 H GLY 20 H GLY 20 -8.180 -3.479 6.394 166 1HA GLY 20 2HA GLY 20 -7.585 -1.729 4.247 167 2HA GLY 20 1HA GLY 20 -9.161 -1.954 4.993 168 H ASP 21 H ASP 21 -7.451 -1.228 7.595 169 HA ASP 21 HA ASP 21 -8.372 1.470 7.668 170 1HB ASP 21 2HB ASP 21 -7.075 -0.412 9.541 171 2HB ASP 21 1HB ASP 21 -6.769 1.295 9.848 172 H THR 22 H THR 22 -5.100 0.602 8.688 173 HA THR 22 HA THR 22 -4.058 2.668 6.865 174 HB THR 22 HB THR 22 -2.976 2.133 9.629 175 HG1 THR 22 1HG THR 22 -4.812 4.131 8.812 176 1HG2 THR 22 1HG2 THR 22 -1.312 3.354 8.739 177 2HG2 THR 22 2HG2 THR 22 -2.397 4.693 9.119 178 3HG2 THR 22 3HG2 THR 22 -2.338 4.041 7.480 179 H VAL 23 H VAL 23 -1.778 2.445 6.321 180 HA VAL 23 HA VAL 23 -0.616 -0.200 6.741 181 HB VAL 23 HB VAL 23 -0.466 0.756 3.941 182 1HG1 VAL 23 1HG1 VAL 23 -1.161 -2.024 4.623 183 2HG1 VAL 23 2HG1 VAL 23 0.391 -1.446 5.230 184 3HG1 VAL 23 3HG1 VAL 23 0.046 -1.395 3.501 185 1HG2 VAL 23 1HG2 VAL 23 -2.957 -0.586 4.990 186 2HG2 VAL 23 2HG2 VAL 23 -2.600 -0.204 3.306 187 3HG2 VAL 23 3HG2 VAL 23 -2.850 1.096 4.471 188 H LYS 24 H LYS 24 1.329 0.234 7.537 189 HA LYS 24 HA LYS 24 2.804 2.562 6.509 190 1HB LYS 24 2HB LYS 24 2.247 1.917 9.090 191 2HB LYS 24 1HB LYS 24 3.822 1.159 8.900 192 1HG LYS 24 2HG LYS 24 4.347 3.265 9.691 193 2HG LYS 24 1HG LYS 24 4.556 3.439 7.948 194 1HD LYS 24 2HD LYS 24 2.871 4.913 7.777 195 2HD LYS 24 1HD LYS 24 1.840 4.002 8.881 196 1HE LYS 24 2HE LYS 24 3.127 4.906 10.782 197 2HE LYS 24 1HE LYS 24 4.086 5.863 9.652 198 1HZ LYS 24 1HZ LYS 24 2.315 7.235 9.176 199 2HZ LYS 24 2HZ LYS 24 2.073 6.935 10.822 200 3HZ LYS 24 3HZ LYS 24 1.151 6.110 9.668 201 H LEU 25 H LEU 25 4.940 2.364 5.823 202 HA LEU 25 HA LEU 25 5.785 -0.395 5.256 203 1HB LEU 25 2HB LEU 25 5.985 2.137 3.712 204 2HB LEU 25 1HB LEU 25 7.296 0.982 3.551 205 HG LEU 25 HG LEU 25 4.628 -0.205 3.247 206 1HD1 LEU 25 1HD1 LEU 25 4.667 2.216 2.170 207 2HD1 LEU 25 2HD1 LEU 25 3.904 0.847 1.365 208 3HD1 LEU 25 3HD1 LEU 25 5.524 1.357 0.892 209 1HD2 LEU 25 1HD2 LEU 25 6.905 -0.262 1.300 210 2HD2 LEU 25 2HD2 LEU 25 5.691 -1.496 1.631 211 3HD2 LEU 25 3HD2 LEU 25 6.971 -1.183 2.801 212 H MET 26 H MET 26 8.127 -0.781 5.178 213 HA MET 26 HA MET 26 9.489 0.733 7.300 214 1HB MET 26 2HB MET 26 9.027 -1.860 7.371 215 2HB MET 26 1HB MET 26 10.446 -1.933 6.336 216 1HG MET 26 2HG MET 26 11.797 -0.883 8.012 217 2HG MET 26 1HG MET 26 10.386 -0.593 9.027 218 1HE MET 26 1HE MET 26 13.159 -3.680 9.925 219 2HE MET 26 2HE MET 26 13.237 -1.966 9.525 220 3HE MET 26 3HE MET 26 13.272 -3.173 8.239 221 H TYR 27 H TYR 27 10.673 2.295 6.363 222 HA TYR 27 HA TYR 27 12.366 1.553 4.070 223 1HB TYR 27 2HB TYR 27 10.687 3.342 3.637 224 2HB TYR 27 1HB TYR 27 11.460 4.323 4.878 225 HD1 TYR 27 1HD TYR 27 12.486 6.112 3.828 226 HD2 TYR 27 2HD TYR 27 12.889 2.231 2.133 227 HE1 TYR 27 1HE TYR 27 14.040 7.012 2.150 228 HE2 TYR 27 2HE TYR 27 14.447 3.121 0.451 229 HH TYR 27 HH TYR 27 16.083 5.253 0.403 230 H LYS 28 H LYS 28 14.117 0.780 5.227 231 HA LYS 28 HA LYS 28 15.960 0.795 6.581 232 1HB LYS 28 2HB LYS 28 17.470 2.685 6.157 233 2HB LYS 28 1HB LYS 28 16.743 2.085 4.673 234 1HG LYS 28 2HG LYS 28 15.218 3.937 4.606 235 2HG LYS 28 1HG LYS 28 15.765 4.497 6.188 236 1HD LYS 28 2HD LYS 28 17.518 4.289 3.741 237 2HD LYS 28 1HD LYS 28 16.734 5.771 4.289 238 1HE LYS 28 2HE LYS 28 18.162 4.533 6.458 239 2HE LYS 28 1HE LYS 28 19.229 4.764 5.074 240 1HZ LYS 28 1HZ LYS 28 17.836 6.767 6.701 241 2HZ LYS 28 2HZ LYS 28 18.141 7.121 5.077 242 3HZ LYS 28 3HZ LYS 28 19.425 6.768 6.119 243 H GLY 29 H GLY 29 13.889 1.113 8.219 244 1HA GLY 29 2HA GLY 29 13.590 1.678 10.449 245 2HA GLY 29 1HA GLY 29 15.019 2.695 10.347 246 H GLN 30 H GLN 30 12.493 3.114 8.015 247 HA GLN 30 HA GLN 30 11.538 5.487 9.470 248 1HB GLN 30 2HB GLN 30 13.114 6.105 7.645 249 2HB GLN 30 1HB GLN 30 12.030 5.335 6.492 250 1HG GLN 30 2HG GLN 30 10.495 7.006 6.600 251 2HG GLN 30 1HG GLN 30 10.892 7.415 8.268 252 1HE2 GLN 30 1HE2 GLN 30 11.831 7.784 4.926 253 2HE2 GLN 30 2HE2 GLN 30 12.841 9.168 5.158 254 HA PRO 31 HA PRO 31 7.702 3.281 8.624 255 1HB PRO 31 2HB PRO 31 6.096 4.891 10.093 256 2HB PRO 31 1HB PRO 31 7.145 3.670 10.823 257 1HG PRO 31 2HG PRO 31 7.583 6.619 10.536 258 2HG PRO 31 1HG PRO 31 7.888 5.572 11.936 259 1HD PRO 31 2HD PRO 31 9.855 6.369 10.249 260 2HD PRO 31 1HD PRO 31 9.886 4.804 11.086 261 H MET 32 H MET 32 7.433 3.733 6.439 262 HA MET 32 HA MET 32 6.575 6.368 5.591 263 1HB MET 32 2HB MET 32 7.364 3.836 4.241 264 2HB MET 32 1HB MET 32 6.289 4.916 3.365 265 1HG MET 32 2HG MET 32 8.699 6.107 4.600 266 2HG MET 32 1HG MET 32 8.931 5.070 3.196 267 1HE MET 32 1HE MET 32 7.101 9.081 3.718 268 2HE MET 32 2HE MET 32 8.837 9.045 3.411 269 3HE MET 32 3HE MET 32 8.159 8.107 4.739 270 H THR 33 H THR 33 4.549 6.900 4.799 271 HA THR 33 HA THR 33 2.384 5.242 5.783 272 HB THR 33 HB THR 33 1.919 7.778 4.275 273 HG1 THR 33 1HG THR 33 3.550 8.438 5.589 274 1HG2 THR 33 1HG2 THR 33 -0.108 7.240 5.059 275 2HG2 THR 33 2HG2 THR 33 0.498 7.958 6.552 276 3HG2 THR 33 3HG2 THR 33 0.542 6.209 6.334 277 H PHE 34 H PHE 34 0.935 4.136 4.579 278 HA PHE 34 HA PHE 34 1.072 4.378 1.658 279 1HB PHE 34 2HB PHE 34 2.465 2.453 2.343 280 2HB PHE 34 1HB PHE 34 1.072 1.752 3.161 281 HD1 PHE 34 1HD PHE 34 2.805 2.141 0.045 282 HD2 PHE 34 2HD PHE 34 -0.928 1.087 1.794 283 HE1 PHE 34 1HE PHE 34 2.147 1.024 -2.045 284 HE2 PHE 34 2HE PHE 34 -1.593 -0.034 -0.293 285 HZ PHE 34 HZ PHE 34 -0.056 -0.067 -2.216 286 H ARG 35 H ARG 35 -0.894 5.121 1.173 287 HA ARG 35 HA ARG 35 -3.152 5.248 0.948 288 1HB ARG 35 2HB ARG 35 -2.585 2.599 0.774 289 2HB ARG 35 1HB ARG 35 -3.695 2.600 2.137 290 1HG ARG 35 2HG ARG 35 -5.475 3.073 0.855 291 2HG ARG 35 1HG ARG 35 -4.571 4.187 -0.171 292 1HD ARG 35 2HD ARG 35 -5.055 2.459 -1.630 293 2HD ARG 35 1HD ARG 35 -3.437 2.039 -1.075 294 HE ARG 35 HE ARG 35 -5.242 0.787 0.626 295 1HH1 ARG 35 1HH1 ARG 35 -4.346 0.679 -2.747 296 2HH1 ARG 35 2HH1 ARG 35 -4.770 -0.990 -2.934 297 1HH2 ARG 35 1HH2 ARG 35 -5.801 -1.407 0.379 298 2HH2 ARG 35 2HH2 ARG 35 -5.597 -2.174 -1.161 299 H LEU 36 H LEU 36 -5.149 5.489 2.147 300 HA LEU 36 HA LEU 36 -4.730 5.580 5.064 301 1HB LEU 36 2HB LEU 36 -5.592 7.658 3.179 302 2HB LEU 36 1HB LEU 36 -6.626 7.502 4.586 303 HG LEU 36 HG LEU 36 -4.070 7.506 5.662 304 1HD1 LEU 36 1HD1 LEU 36 -4.186 9.178 3.200 305 2HD1 LEU 36 2HD1 LEU 36 -2.846 8.248 3.873 306 3HD1 LEU 36 3HD1 LEU 36 -3.313 9.782 4.608 307 1HD2 LEU 36 1HD2 LEU 36 -5.866 9.898 5.300 308 2HD2 LEU 36 2HD2 LEU 36 -4.696 9.621 6.589 309 3HD2 LEU 36 3HD2 LEU 36 -6.144 8.620 6.484 310 H LEU 37 H LEU 37 -6.927 5.822 6.227 311 HA LEU 37 HA LEU 37 -8.590 3.623 5.324 312 1HB LEU 37 2HB LEU 37 -9.754 4.013 7.527 313 2HB LEU 37 1HB LEU 37 -8.069 3.540 7.621 314 HG LEU 37 HG LEU 37 -8.282 6.414 7.586 315 1HD1 LEU 37 1HD1 LEU 37 -10.184 4.950 9.306 316 2HD1 LEU 37 2HD1 LEU 37 -10.266 6.586 8.655 317 3HD1 LEU 37 3HD1 LEU 37 -9.266 6.248 10.068 318 1HD2 LEU 37 1HD2 LEU 37 -7.276 5.829 9.989 319 2HD2 LEU 37 2HD2 LEU 37 -6.330 5.716 8.504 320 3HD2 LEU 37 3HD2 LEU 37 -7.049 4.266 9.205 321 H LEU 38 H LEU 38 -9.600 4.572 3.508 322 HA LEU 38 HA LEU 38 -11.800 6.376 4.228 323 1HB LEU 38 2HB LEU 38 -9.589 7.028 2.557 324 2HB LEU 38 1HB LEU 38 -11.016 6.918 1.543 325 HG LEU 38 HG LEU 38 -11.031 8.559 4.058 326 1HD1 LEU 38 1HD1 LEU 38 -9.707 9.142 1.480 327 2HD1 LEU 38 2HD1 LEU 38 -9.354 9.736 3.103 328 3HD1 LEU 38 3HD1 LEU 38 -10.687 10.431 2.181 329 1HD2 LEU 38 1HD2 LEU 38 -13.048 7.838 2.434 330 2HD2 LEU 38 2HD2 LEU 38 -12.519 9.311 1.624 331 3HD2 LEU 38 3HD2 LEU 38 -13.007 9.363 3.318 332 H VAL 39 H VAL 39 -13.718 5.646 3.583 333 HA VAL 39 HA VAL 39 -13.872 3.885 1.246 334 HB VAL 39 HB VAL 39 -15.288 3.238 3.831 335 1HG1 VAL 39 1HG1 VAL 39 -14.858 1.272 1.651 336 2HG1 VAL 39 2HG1 VAL 39 -16.070 2.527 1.398 337 3HG1 VAL 39 3HG1 VAL 39 -16.203 1.438 2.778 338 1HG2 VAL 39 1HG2 VAL 39 -13.171 2.676 4.463 339 2HG2 VAL 39 2HG2 VAL 39 -12.621 2.431 2.805 340 3HG2 VAL 39 3HG2 VAL 39 -13.605 1.201 3.599 341 H ASP 40 H ASP 40 -15.308 4.697 -0.112 342 HA ASP 40 HA ASP 40 -17.741 5.947 0.969 343 1HB ASP 40 2HB ASP 40 -17.606 7.579 -0.956 344 2HB ASP 40 1HB ASP 40 -16.391 7.799 0.300 345 H THR 41 H THR 41 -19.033 4.195 0.520 346 HA THR 41 HA THR 41 -19.057 3.119 -2.191 347 HB THR 41 HB THR 41 -19.099 1.536 -0.326 348 HG1 THR 41 1HG THR 41 -20.739 0.298 -1.111 349 1HG2 THR 41 1HG2 THR 41 -21.815 1.844 0.511 350 2HG2 THR 41 2HG2 THR 41 -20.904 3.316 0.851 351 3HG2 THR 41 3HG2 THR 41 -20.343 1.768 1.480 352 HA PRO 42 HA PRO 42 -22.534 5.783 -3.119 353 1HB PRO 42 2HB PRO 42 -22.864 5.071 -5.687 354 2HB PRO 42 1HB PRO 42 -21.490 6.054 -5.166 355 1HG PRO 42 2HG PRO 42 -21.609 3.119 -5.741 356 2HG PRO 42 1HG PRO 42 -20.364 4.297 -6.191 357 1HD PRO 42 2HD PRO 42 -20.146 2.595 -4.058 358 2HD PRO 42 1HD PRO 42 -19.332 4.169 -4.151 359 H GLU 43 H GLU 43 -22.470 2.313 -3.509 360 HA GLU 43 HA GLU 43 -25.102 1.828 -4.285 361 1HB GLU 43 2HB GLU 43 -22.942 0.269 -3.705 362 2HB GLU 43 1HB GLU 43 -23.983 -0.075 -2.331 363 1HG GLU 43 2HG GLU 43 -24.431 -1.705 -3.988 364 2HG GLU 43 1HG GLU 43 -25.808 -0.605 -3.948 365 H THR 44 H THR 44 -23.820 1.566 -0.962 366 HA THR 44 HA THR 44 -25.797 3.099 0.268 367 HB THR 44 HB THR 44 -27.480 1.561 -0.290 368 HG1 THR 44 1HG THR 44 -27.551 1.992 1.913 369 1HG2 THR 44 1HG2 THR 44 -26.413 -0.902 0.797 370 2HG2 THR 44 2HG2 THR 44 -25.492 -0.317 -0.589 371 3HG2 THR 44 3HG2 THR 44 -27.227 -0.595 -0.737 372 H LYS 45 H LYS 45 -24.117 -0.003 0.802 373 HA LYS 45 HA LYS 45 -22.834 1.209 3.152 374 1HB LYS 45 2HB LYS 45 -23.008 -1.095 4.233 375 2HB LYS 45 1HB LYS 45 -24.487 -0.148 4.144 376 1HG LYS 45 2HG LYS 45 -24.891 -1.464 1.945 377 2HG LYS 45 1HG LYS 45 -23.710 -2.591 2.617 378 1HD LYS 45 2HD LYS 45 -25.629 -3.493 3.469 379 2HD LYS 45 1HD LYS 45 -25.240 -2.355 4.760 380 1HE LYS 45 2HE LYS 45 -27.372 -1.691 4.467 381 2HE LYS 45 1HE LYS 45 -26.686 -0.764 3.135 382 1HZ LYS 45 1HZ LYS 45 -28.607 -1.966 2.384 383 2HZ LYS 45 2HZ LYS 45 -27.975 -3.431 2.944 384 3HZ LYS 45 3HZ LYS 45 -27.232 -2.630 1.654 385 H HIS 46 H HIS 46 -21.138 -0.657 3.950 386 HA HIS 46 HA HIS 46 -19.803 -1.969 1.778 387 1HB HIS 46 2HB HIS 46 -19.004 0.272 1.346 388 2HB HIS 46 1HB HIS 46 -18.532 0.476 3.028 389 HD1 HIS 46 1HD HIS 46 -16.982 0.043 -0.034 390 HD2 HIS 46 2HD HIS 46 -16.583 -1.917 3.608 391 HE1 HIS 46 1HE HIS 46 -14.717 -1.046 -0.100 392 HE2 HIS 46 2HE HIS 46 -14.551 -2.325 2.063 393 HA PRO 47 HA PRO 47 -17.197 -2.582 5.920 394 1HB PRO 47 2HB PRO 47 -18.756 -1.753 8.103 395 2HB PRO 47 1HB PRO 47 -17.305 -0.955 7.491 396 1HG PRO 47 2HG PRO 47 -20.173 -0.328 6.979 397 2HG PRO 47 1HG PRO 47 -18.793 0.773 7.156 398 1HD PRO 47 2HD PRO 47 -19.826 0.252 4.756 399 2HD PRO 47 1HD PRO 47 -18.072 0.417 4.973 400 H LYS 48 H LYS 48 -20.636 -2.833 5.468 401 HA LYS 48 HA LYS 48 -21.477 -4.682 7.270 402 1HB LYS 48 2HB LYS 48 -22.896 -3.708 5.508 403 2HB LYS 48 1HB LYS 48 -22.097 -4.717 4.312 404 1HG LYS 48 2HG LYS 48 -22.962 -6.714 5.362 405 2HG LYS 48 1HG LYS 48 -23.688 -5.750 6.651 406 1HD LYS 48 2HD LYS 48 -25.403 -5.044 5.340 407 2HD LYS 48 1HD LYS 48 -24.417 -5.024 3.877 408 1HE LYS 48 2HE LYS 48 -24.458 -7.561 3.993 409 2HE LYS 48 1HE LYS 48 -25.721 -7.383 5.211 410 1HZ LYS 48 1HZ LYS 48 -26.261 -7.613 2.652 411 2HZ LYS 48 2HZ LYS 48 -26.067 -5.934 2.700 412 3HZ LYS 48 3HZ LYS 48 -27.221 -6.679 3.687 413 H LYS 49 H LYS 49 -19.830 -5.456 4.197 414 HA LYS 49 HA LYS 49 -19.351 -8.166 5.237 415 1HB LYS 49 2HB LYS 49 -19.637 -7.048 2.479 416 2HB LYS 49 1HB LYS 49 -18.671 -8.499 2.715 417 1HG LYS 49 2HG LYS 49 -21.480 -8.283 3.742 418 2HG LYS 49 1HG LYS 49 -21.118 -8.804 2.096 419 1HD LYS 49 2HD LYS 49 -19.453 -10.226 3.949 420 2HD LYS 49 1HD LYS 49 -21.142 -10.363 4.441 421 1HE LYS 49 2HE LYS 49 -21.339 -10.767 1.764 422 2HE LYS 49 1HE LYS 49 -19.757 -11.468 2.097 423 1HZ LYS 49 1HZ LYS 49 -22.036 -12.803 2.362 424 2HZ LYS 49 2HZ LYS 49 -21.882 -12.202 3.935 425 3HZ LYS 49 3HZ LYS 49 -20.651 -13.150 3.269 426 H GLY 50 H GLY 50 -17.778 -5.362 3.778 427 1HA GLY 50 2HA GLY 50 -15.601 -4.630 3.987 428 2HA GLY 50 1HA GLY 50 -15.318 -5.945 5.114 429 H VAL 51 H VAL 51 -15.753 -8.173 3.581 430 HA VAL 51 HA VAL 51 -13.355 -8.577 2.295 431 HB VAL 51 HB VAL 51 -14.835 -10.398 3.018 432 1HG1 VAL 51 1HG1 VAL 51 -16.517 -9.479 0.701 433 2HG1 VAL 51 2HG1 VAL 51 -16.990 -9.668 2.390 434 3HG1 VAL 51 3HG1 VAL 51 -16.658 -11.091 1.402 435 1HG2 VAL 51 1HG2 VAL 51 -13.232 -10.305 0.717 436 2HG2 VAL 51 2HG2 VAL 51 -14.656 -11.249 0.281 437 3HG2 VAL 51 3HG2 VAL 51 -13.675 -11.725 1.666 438 H GLU 52 H GLU 52 -16.090 -6.892 1.075 439 HA GLU 52 HA GLU 52 -15.962 -7.327 -1.645 440 1HB GLU 52 2HB GLU 52 -17.076 -5.337 0.114 441 2HB GLU 52 1HB GLU 52 -16.422 -4.564 -1.323 442 1HG GLU 52 2HG GLU 52 -17.724 -6.366 -2.619 443 2HG GLU 52 1HG GLU 52 -18.601 -6.600 -1.107 444 H LYS 53 H LYS 53 -13.675 -5.727 0.384 445 HA LYS 53 HA LYS 53 -11.631 -5.683 -1.453 446 1HB LYS 53 2HB LYS 53 -11.528 -3.171 -1.882 447 2HB LYS 53 1HB LYS 53 -12.660 -4.118 -2.836 448 1HG LYS 53 2HG LYS 53 -14.481 -3.419 -1.351 449 2HG LYS 53 1HG LYS 53 -13.337 -2.448 -0.423 450 1HD LYS 53 2HD LYS 53 -13.810 -0.763 -1.805 451 2HD LYS 53 1HD LYS 53 -12.939 -1.650 -3.054 452 1HE LYS 53 2HE LYS 53 -14.815 -1.957 -4.204 453 2HE LYS 53 1HE LYS 53 -15.593 -2.699 -2.806 454 1HZ LYS 53 1HZ LYS 53 -15.854 -0.242 -2.055 455 2HZ LYS 53 2HZ LYS 53 -16.929 -0.893 -3.187 456 3HZ LYS 53 3HZ LYS 53 -15.660 0.099 -3.701 457 H TYR 54 H TYR 54 -12.937 -4.860 1.531 458 HA TYR 54 HA TYR 54 -10.278 -4.080 2.477 459 1HB TYR 54 2HB TYR 54 -12.877 -2.683 3.057 460 2HB TYR 54 1HB TYR 54 -11.487 -2.558 4.131 461 HD1 TYR 54 1HD TYR 54 -9.213 -2.246 2.448 462 HD2 TYR 54 2HD TYR 54 -13.143 -0.723 1.872 463 HE1 TYR 54 1HE TYR 54 -8.301 -0.434 1.058 464 HE2 TYR 54 2HE TYR 54 -12.243 1.092 0.481 465 HH TYR 54 HH TYR 54 -10.205 2.262 0.067 466 H GLY 55 H GLY 55 -11.906 -6.586 2.504 467 1HA GLY 55 2HA GLY 55 -12.473 -6.874 5.371 468 2HA GLY 55 1HA GLY 55 -12.845 -8.049 4.116 469 HA PRO 56 HA PRO 56 -9.195 -9.923 6.039 470 1HB PRO 56 2HB PRO 56 -9.609 -12.412 5.074 471 2HB PRO 56 1HB PRO 56 -10.495 -11.784 6.468 472 1HG PRO 56 2HG PRO 56 -11.359 -11.989 3.608 473 2HG PRO 56 1HG PRO 56 -12.274 -12.357 5.082 474 1HD PRO 56 2HD PRO 56 -12.558 -10.031 3.696 475 2HD PRO 56 1HD PRO 56 -12.809 -10.152 5.449 476 H GLU 57 H GLU 57 -9.925 -9.037 2.941 477 HA GLU 57 HA GLU 57 -7.692 -10.416 1.675 478 1HB GLU 57 2HB GLU 57 -9.462 -8.419 0.313 479 2HB GLU 57 1HB GLU 57 -8.609 -9.791 -0.378 480 1HG GLU 57 2HG GLU 57 -10.855 -10.141 1.574 481 2HG GLU 57 1HG GLU 57 -11.135 -9.968 -0.156 482 H ALA 58 H ALA 58 -8.858 -7.006 1.687 483 HA ALA 58 HA ALA 58 -6.670 -5.717 0.762 484 1HB ALA 58 1HB ALA 58 -7.252 -3.925 2.581 485 2HB ALA 58 2HB ALA 58 -8.627 -4.986 2.884 486 3HB ALA 58 3HB ALA 58 -8.389 -4.288 1.283 487 H SER 59 H SER 59 -6.980 -7.192 3.922 488 HA SER 59 HA SER 59 -4.494 -6.122 4.907 489 1HB SER 59 2HB SER 59 -4.877 -7.734 6.797 490 2HB SER 59 1HB SER 59 -6.213 -6.616 6.529 491 HG SER 59 HG SER 59 -7.427 -8.293 6.251 492 H ALA 60 H ALA 60 -5.661 -9.287 3.793 493 HA ALA 60 HA ALA 60 -3.242 -10.680 4.069 494 1HB ALA 60 1HB ALA 60 -5.599 -11.594 3.634 495 2HB ALA 60 2HB ALA 60 -4.240 -12.410 2.859 496 3HB ALA 60 3HB ALA 60 -5.249 -11.302 1.929 497 H PHE 61 H PHE 61 -4.619 -8.916 1.313 498 HA PHE 61 HA PHE 61 -2.862 -9.487 -0.695 499 1HB PHE 61 2HB PHE 61 -4.695 -8.033 -1.148 500 2HB PHE 61 1HB PHE 61 -4.156 -6.863 0.050 501 HD1 PHE 61 1HD PHE 61 -2.734 -8.537 -2.975 502 HD2 PHE 61 2HD PHE 61 -3.304 -4.924 -0.800 503 HE1 PHE 61 1HE PHE 61 -1.541 -7.294 -4.733 504 HE2 PHE 61 2HE PHE 61 -2.112 -3.676 -2.553 505 HZ PHE 61 HZ PHE 61 -1.230 -4.861 -4.523 506 H THR 62 H THR 62 -2.364 -7.303 2.019 507 HA THR 62 HA THR 62 0.349 -6.702 1.122 508 HB THR 62 HB THR 62 -0.881 -4.795 1.912 509 HG1 THR 62 1HG THR 62 0.659 -4.060 3.176 510 1HG2 THR 62 1HG2 THR 62 -2.566 -5.810 3.288 511 2HG2 THR 62 2HG2 THR 62 -1.674 -4.620 4.235 512 3HG2 THR 62 3HG2 THR 62 -1.349 -6.340 4.449 513 H LYS 63 H LYS 63 -1.399 -8.548 3.493 514 HA LYS 63 HA LYS 63 0.699 -9.046 5.300 515 1HB LYS 63 2HB LYS 63 -1.872 -9.516 5.473 516 2HB LYS 63 1HB LYS 63 -1.439 -11.074 4.783 517 1HG LYS 63 2HG LYS 63 -1.351 -11.543 7.018 518 2HG LYS 63 1HG LYS 63 0.329 -11.104 6.704 519 1HD LYS 63 2HD LYS 63 -0.363 -9.995 8.709 520 2HD LYS 63 1HD LYS 63 -0.219 -8.780 7.439 521 1HE LYS 63 2HE LYS 63 -2.254 -8.553 8.872 522 2HE LYS 63 1HE LYS 63 -2.583 -8.694 7.147 523 1HZ LYS 63 1HZ LYS 63 -2.560 -11.152 8.732 524 2HZ LYS 63 2HZ LYS 63 -3.511 -10.737 7.396 525 3HZ LYS 63 3HZ LYS 63 -3.881 -10.110 8.922 526 H LYS 64 H LYS 64 -0.075 -10.376 2.191 527 HA LYS 64 HA LYS 64 1.742 -12.625 2.540 528 1HB LYS 64 2HB LYS 64 -0.543 -12.116 0.929 529 2HB LYS 64 1HB LYS 64 0.818 -12.356 -0.158 530 1HG LYS 64 2HG LYS 64 1.039 -14.540 0.379 531 2HG LYS 64 1HG LYS 64 0.529 -14.297 2.051 532 1HD LYS 64 2HD LYS 64 -1.796 -13.809 0.979 533 2HD LYS 64 1HD LYS 64 -1.134 -14.678 -0.406 534 1HE LYS 64 2HE LYS 64 -1.160 -16.672 0.663 535 2HE LYS 64 1HE LYS 64 -0.767 -15.958 2.227 536 1HZ LYS 64 1HZ LYS 64 -3.359 -16.467 1.020 537 2HZ LYS 64 2HZ LYS 64 -3.219 -15.008 1.861 538 3HZ LYS 64 3HZ LYS 64 -2.903 -16.470 2.650 539 H MET 65 H MET 65 1.451 -9.600 0.771 540 HA MET 65 HA MET 65 3.645 -9.831 -0.925 541 1HB MET 65 2HB MET 65 1.769 -7.956 -0.571 542 2HB MET 65 1HB MET 65 3.100 -7.172 0.270 543 1HG MET 65 2HG MET 65 3.007 -6.452 -2.034 544 2HG MET 65 1HG MET 65 4.483 -7.367 -1.731 545 1HE MET 65 1HE MET 65 1.948 -6.919 -4.571 546 2HE MET 65 2HE MET 65 3.101 -7.908 -5.469 547 3HE MET 65 3HE MET 65 3.680 -6.621 -4.410 548 H VAL 66 H VAL 66 3.581 -9.532 2.484 549 HA VAL 66 HA VAL 66 6.357 -8.589 2.547 550 HB VAL 66 HB VAL 66 5.925 -8.396 5.044 551 1HG1 VAL 66 1HG1 VAL 66 5.632 -6.628 3.019 552 2HG1 VAL 66 2HG1 VAL 66 5.471 -6.214 4.725 553 3HG1 VAL 66 3HG1 VAL 66 4.033 -6.547 3.758 554 1HG2 VAL 66 1HG2 VAL 66 3.546 -9.688 4.379 555 2HG2 VAL 66 2HG2 VAL 66 3.082 -8.025 4.728 556 3HG2 VAL 66 3HG2 VAL 66 3.966 -8.964 5.928 557 H GLU 67 H GLU 67 4.297 -11.234 3.720 558 HA GLU 67 HA GLU 67 6.647 -12.588 4.795 559 1HB GLU 67 2HB GLU 67 3.917 -12.492 5.519 560 2HB GLU 67 1HB GLU 67 4.253 -14.148 5.036 561 1HG GLU 67 2HG GLU 67 6.112 -12.758 6.906 562 2HG GLU 67 1HG GLU 67 4.583 -13.399 7.505 563 H ASN 68 H ASN 68 3.833 -13.949 3.122 564 HA ASN 68 HA ASN 68 5.156 -16.134 2.044 565 1HB ASN 68 2HB ASN 68 2.576 -15.337 2.107 566 2HB ASN 68 1HB ASN 68 2.949 -15.022 0.416 567 1HD2 ASN 68 1HD2 ASN 68 2.124 -16.617 -0.725 568 2HD2 ASN 68 2HD2 ASN 68 2.302 -18.303 -0.390 569 H ALA 69 H ALA 69 4.773 -12.898 0.744 570 HA ALA 69 HA ALA 69 5.854 -13.532 -1.829 571 1HB ALA 69 1HB ALA 69 4.298 -11.555 -1.023 572 2HB ALA 69 2HB ALA 69 5.394 -11.374 -2.397 573 3HB ALA 69 3HB ALA 69 5.852 -10.742 -0.814 574 H LYS 70 H LYS 70 7.666 -11.599 -2.395 575 HA LYS 70 HA LYS 70 10.047 -12.664 -1.234 576 1HB LYS 70 2HB LYS 70 9.500 -11.527 -3.621 577 2HB LYS 70 1HB LYS 70 10.224 -10.155 -2.792 578 1HG LYS 70 2HG LYS 70 11.525 -12.858 -3.013 579 2HG LYS 70 1HG LYS 70 11.818 -11.521 -4.126 580 1HD LYS 70 2HD LYS 70 12.519 -10.140 -2.168 581 2HD LYS 70 1HD LYS 70 12.388 -11.589 -1.167 582 1HE LYS 70 2HE LYS 70 14.571 -11.819 -1.677 583 2HE LYS 70 1HE LYS 70 13.938 -12.523 -3.165 584 1HZ LYS 70 1HZ LYS 70 15.507 -10.950 -3.843 585 2HZ LYS 70 2HZ LYS 70 14.977 -9.788 -2.733 586 3HZ LYS 70 3HZ LYS 70 14.020 -10.174 -4.072 587 H LYS 71 H LYS 71 9.109 -9.230 -1.491 588 HA LYS 71 HA LYS 71 9.134 -8.606 1.211 589 1HB LYS 71 2HB LYS 71 11.783 -9.008 0.115 590 2HB LYS 71 1HB LYS 71 11.592 -7.359 0.690 591 1HG LYS 71 2HG LYS 71 10.971 -9.799 2.340 592 2HG LYS 71 1HG LYS 71 12.510 -8.937 2.375 593 1HD LYS 71 2HD LYS 71 11.426 -6.934 3.157 594 2HD LYS 71 1HD LYS 71 9.838 -7.678 2.971 595 1HE LYS 71 2HE LYS 71 10.054 -8.147 5.157 596 2HE LYS 71 1HE LYS 71 11.066 -9.473 4.588 597 1HZ LYS 71 1HZ LYS 71 12.937 -7.725 4.734 598 2HZ LYS 71 2HZ LYS 71 12.389 -8.457 6.156 599 3HZ LYS 71 3HZ LYS 71 11.875 -6.896 5.759 600 H ILE 72 H ILE 72 9.872 -7.590 -2.057 601 HA ILE 72 HA ILE 72 9.017 -5.809 -3.239 602 HB ILE 72 HB ILE 72 8.136 -4.499 -0.681 603 1HG1 ILE 72 2HG1 ILE 72 6.043 -5.838 -2.210 604 2HG1 ILE 72 1HG1 ILE 72 7.217 -6.962 -1.538 605 1HG2 ILE 72 1HG2 ILE 72 8.187 -3.606 -3.298 606 2HG2 ILE 72 2HG2 ILE 72 7.252 -2.919 -1.973 607 3HG2 ILE 72 3HG2 ILE 72 6.516 -4.107 -3.049 608 1HD1 ILE 72 1HD1 ILE 72 6.472 -6.673 0.540 609 2HD1 ILE 72 2HD1 ILE 72 5.044 -5.983 -0.230 610 3HD1 ILE 72 3HD1 ILE 72 6.331 -4.926 0.350 611 H GLU 73 H GLU 73 9.872 -3.870 -3.881 612 HA GLU 73 HA GLU 73 11.996 -2.744 -2.188 613 1HB GLU 73 2HB GLU 73 13.249 -2.357 -4.393 614 2HB GLU 73 1HB GLU 73 13.232 -3.990 -3.740 615 1HG GLU 73 2HG GLU 73 11.162 -3.174 -5.725 616 2HG GLU 73 1HG GLU 73 12.789 -3.578 -6.268 617 H VAL 74 H VAL 74 12.376 -0.537 -2.384 618 HA VAL 74 HA VAL 74 10.161 0.950 -3.588 619 HB VAL 74 HB VAL 74 10.655 1.398 -1.223 620 1HG1 VAL 74 1HG1 VAL 74 12.694 1.808 -0.401 621 2HG1 VAL 74 2HG1 VAL 74 13.104 2.913 -1.713 622 3HG1 VAL 74 3HG1 VAL 74 13.288 1.172 -1.935 623 1HG2 VAL 74 1HG2 VAL 74 10.188 3.610 -1.389 624 2HG2 VAL 74 2HG2 VAL 74 10.011 3.200 -3.094 625 3HG2 VAL 74 3HG2 VAL 74 11.513 3.920 -2.510 626 H GLU 75 H GLU 75 10.501 1.547 -5.622 627 HA GLU 75 HA GLU 75 13.190 2.088 -6.587 628 1HB GLU 75 2HB GLU 75 10.817 1.132 -7.751 629 2HB GLU 75 1HB GLU 75 11.107 2.697 -8.498 630 1HG GLU 75 2HG GLU 75 13.478 0.993 -8.306 631 2HG GLU 75 1HG GLU 75 12.187 0.347 -9.320 632 H PHE 76 H PHE 76 10.198 3.905 -7.254 633 HA PHE 76 HA PHE 76 11.728 6.366 -7.239 634 1HB PHE 76 2HB PHE 76 9.679 7.416 -8.060 635 2HB PHE 76 1HB PHE 76 10.064 5.981 -9.004 636 HD1 PHE 76 1HD PHE 76 8.714 3.956 -8.793 637 HD2 PHE 76 2HD PHE 76 7.714 7.523 -6.700 638 HE1 PHE 76 1HE PHE 76 6.457 3.071 -8.372 639 HE2 PHE 76 2HE PHE 76 5.456 6.644 -6.273 640 HZ PHE 76 HZ PHE 76 4.826 4.416 -7.110 641 H ASP 77 H ASP 77 12.032 7.512 -5.467 642 HA ASP 77 HA ASP 77 10.007 7.383 -3.332 643 1HB ASP 77 2HB ASP 77 12.589 6.638 -3.084 644 2HB ASP 77 1HB ASP 77 12.735 8.347 -2.680 645 H LYS 78 H LYS 78 10.207 9.208 -5.709 646 HA LYS 78 HA LYS 78 9.950 11.704 -4.203 647 1HB LYS 78 2HB LYS 78 12.183 11.186 -5.749 648 2HB LYS 78 1HB LYS 78 11.158 12.116 -6.833 649 1HG LYS 78 2HG LYS 78 10.934 13.777 -4.905 650 2HG LYS 78 1HG LYS 78 12.300 12.923 -4.184 651 1HD LYS 78 2HD LYS 78 12.268 14.224 -6.908 652 2HD LYS 78 1HD LYS 78 13.036 14.878 -5.460 653 1HE LYS 78 2HE LYS 78 13.744 12.166 -6.533 654 2HE LYS 78 1HE LYS 78 14.510 13.629 -7.149 655 1HZ LYS 78 1HZ LYS 78 14.803 13.991 -4.535 656 2HZ LYS 78 2HZ LYS 78 15.950 13.198 -5.492 657 3HZ LYS 78 3HZ LYS 78 14.840 12.300 -4.587 658 H GLY 79 H GLY 79 9.675 10.323 -7.484 659 1HA GLY 79 2HA GLY 79 7.605 12.100 -8.283 660 2HA GLY 79 1HA GLY 79 8.079 10.626 -9.112 661 H GLN 80 H GLN 80 5.817 12.108 -7.001 662 HA GLN 80 HA GLN 80 4.581 9.645 -6.147 663 1HB GLN 80 2HB GLN 80 4.230 12.520 -5.618 664 2HB GLN 80 1HB GLN 80 2.741 11.586 -5.600 665 1HG GLN 80 2HG GLN 80 3.208 11.062 -3.503 666 2HG GLN 80 1HG GLN 80 4.520 10.060 -4.124 667 1HE2 GLN 80 1HE2 GLN 80 6.627 11.035 -4.311 668 2HE2 GLN 80 2HE2 GLN 80 7.083 12.302 -3.227 669 H ARG 81 H ARG 81 2.362 9.082 -6.638 670 HA ARG 81 HA ARG 81 1.737 9.629 -9.443 671 1HB ARG 81 2HB ARG 81 1.812 7.277 -8.076 672 2HB ARG 81 1HB ARG 81 0.101 7.666 -7.968 673 1HG ARG 81 2HG ARG 81 0.231 6.388 -9.890 674 2HG ARG 81 1HG ARG 81 0.247 8.041 -10.512 675 1HD ARG 81 2HD ARG 81 2.641 7.968 -10.775 676 2HD ARG 81 1HD ARG 81 2.713 6.382 -10.009 677 HE ARG 81 HE ARG 81 2.069 5.427 -11.992 678 1HH1 ARG 81 1HH1 ARG 81 1.514 8.870 -12.151 679 2HH1 ARG 81 2HH1 ARG 81 1.149 8.858 -13.844 680 1HH2 ARG 81 1HH2 ARG 81 1.591 5.411 -14.217 681 2HH2 ARG 81 2HH2 ARG 81 1.193 6.896 -15.016 682 H THR 82 H THR 82 0.202 9.642 -6.242 683 HA THR 82 HA THR 82 -2.047 11.149 -7.378 684 HB THR 82 HB THR 82 -2.074 10.159 -4.567 685 HG1 THR 82 1HG THR 82 -2.839 8.126 -5.402 686 1HG2 THR 82 1HG2 THR 82 -4.144 10.347 -6.737 687 2HG2 THR 82 2HG2 THR 82 -4.018 11.341 -5.285 688 3HG2 THR 82 3HG2 THR 82 -4.422 9.630 -5.149 689 H ASP 83 H ASP 83 -2.953 12.892 -5.982 690 HA ASP 83 HA ASP 83 -0.779 14.374 -4.654 691 1HB ASP 83 2HB ASP 83 -3.169 15.565 -6.071 692 2HB ASP 83 1HB ASP 83 -1.783 16.433 -5.418 693 H LYS 84 H LYS 84 -2.634 12.484 -3.424 694 HA LYS 84 HA LYS 84 -4.583 14.030 -1.977 695 1HB LYS 84 2HB LYS 84 -3.670 11.315 -1.098 696 2HB LYS 84 1HB LYS 84 -5.273 12.027 -1.016 697 1HG LYS 84 2HG LYS 84 -5.015 11.937 -3.662 698 2HG LYS 84 1HG LYS 84 -3.936 10.607 -3.236 699 1HD LYS 84 2HD LYS 84 -5.627 9.297 -2.491 700 2HD LYS 84 1HD LYS 84 -6.545 10.662 -1.852 701 1HE LYS 84 2HE LYS 84 -6.356 9.754 -4.719 702 2HE LYS 84 1HE LYS 84 -7.777 9.728 -3.675 703 1HZ LYS 84 1HZ LYS 84 -8.142 11.614 -4.888 704 2HZ LYS 84 2HZ LYS 84 -6.502 12.005 -5.018 705 3HZ LYS 84 3HZ LYS 84 -7.322 12.276 -3.565 706 H TYR 85 H TYR 85 -1.846 12.062 -0.818 707 HA TYR 85 HA TYR 85 -1.183 14.192 1.085 708 1HB TYR 85 2HB TYR 85 -2.582 12.639 2.323 709 2HB TYR 85 1HB TYR 85 -1.596 11.280 1.793 710 HD1 TYR 85 1HD TYR 85 0.262 10.601 3.043 711 HD2 TYR 85 2HD TYR 85 -1.481 14.407 3.801 712 HE1 TYR 85 1HE TYR 85 1.688 10.852 5.032 713 HE2 TYR 85 2HE TYR 85 -0.061 14.670 5.792 714 HH TYR 85 HH TYR 85 1.336 12.397 7.366 715 H GLY 86 H GLY 86 -0.068 12.611 -1.426 716 1HA GLY 86 2HA GLY 86 2.026 12.100 -2.216 717 2HA GLY 86 1HA GLY 86 2.648 13.056 -0.878 718 H ARG 87 H ARG 87 0.712 10.112 -0.717 719 HA ARG 87 HA ARG 87 2.834 8.323 -0.239 720 1HB ARG 87 2HB ARG 87 1.947 9.911 2.040 721 2HB ARG 87 1HB ARG 87 1.810 8.184 2.334 722 1HG ARG 87 2HG ARG 87 4.053 7.857 2.313 723 2HG ARG 87 1HG ARG 87 4.343 9.153 1.150 724 1HD ARG 87 2HD ARG 87 3.482 9.667 3.986 725 2HD ARG 87 1HD ARG 87 5.174 9.549 3.512 726 HE ARG 87 HE ARG 87 3.935 11.400 1.830 727 1HH1 ARG 87 1HH1 ARG 87 4.779 11.059 5.199 728 2HH1 ARG 87 2HH1 ARG 87 4.949 12.762 5.459 729 1HH2 ARG 87 1HH2 ARG 87 4.163 13.642 2.169 730 2HH2 ARG 87 2HH2 ARG 87 4.601 14.228 3.739 731 H GLY 88 H GLY 88 -0.531 9.161 -0.048 732 1HA GLY 88 2HA GLY 88 -1.755 6.869 0.822 733 2HA GLY 88 1HA GLY 88 -2.406 7.895 -0.446 734 H LEU 89 H LEU 89 -1.201 7.522 -2.648 735 HA LEU 89 HA LEU 89 -1.403 4.655 -3.156 736 1HB LEU 89 2HB LEU 89 -2.643 6.370 -4.525 737 2HB LEU 89 1HB LEU 89 -1.093 6.878 -5.166 738 HG LEU 89 HG LEU 89 -0.999 4.206 -5.671 739 1HD1 LEU 89 1HD1 LEU 89 -3.003 3.250 -6.039 740 2HD1 LEU 89 2HD1 LEU 89 -3.743 4.756 -6.583 741 3HD1 LEU 89 3HD1 LEU 89 -3.557 4.437 -4.859 742 1HD2 LEU 89 1HD2 LEU 89 -1.665 4.836 -7.991 743 2HD2 LEU 89 2HD2 LEU 89 -0.431 5.878 -7.282 744 3HD2 LEU 89 3HD2 LEU 89 -2.103 6.430 -7.377 745 H ALA 90 H ALA 90 0.381 3.480 -3.071 746 HA ALA 90 HA ALA 90 2.852 4.586 -4.216 747 1HB ALA 90 1HB ALA 90 3.185 2.734 -1.946 748 2HB ALA 90 2HB ALA 90 2.565 4.338 -1.552 749 3HB ALA 90 3HB ALA 90 4.109 4.170 -2.388 750 H TYR 91 H TYR 91 4.200 3.112 -5.257 751 HA TYR 91 HA TYR 91 2.863 0.732 -6.206 752 1HB TYR 91 2HB TYR 91 5.040 2.440 -7.104 753 2HB TYR 91 1HB TYR 91 5.436 0.733 -7.269 754 HD1 TYR 91 1HD TYR 91 3.214 3.429 -8.380 755 HD2 TYR 91 2HD TYR 91 4.217 -0.683 -8.816 756 HE1 TYR 91 1HE TYR 91 1.882 3.330 -10.443 757 HE2 TYR 91 2HE TYR 91 2.888 -0.794 -10.882 758 HH TYR 91 HH TYR 91 2.004 0.643 -12.583 759 H ILE 92 H ILE 92 3.081 -1.214 -5.357 760 HA ILE 92 HA ILE 92 5.494 -1.809 -3.769 761 HB ILE 92 HB ILE 92 3.469 -1.588 -2.366 762 1HG1 ILE 92 2HG1 ILE 92 4.563 -4.402 -2.580 763 2HG1 ILE 92 1HG1 ILE 92 5.273 -3.078 -1.660 764 1HG2 ILE 92 1HG2 ILE 92 2.343 -4.109 -3.454 765 2HG2 ILE 92 2HG2 ILE 92 2.055 -2.619 -4.351 766 3HG2 ILE 92 3HG2 ILE 92 1.535 -2.750 -2.671 767 1HD1 ILE 92 1HD1 ILE 92 4.187 -4.198 -0.004 768 2HD1 ILE 92 2HD1 ILE 92 2.885 -4.734 -1.065 769 3HD1 ILE 92 3HD1 ILE 92 2.923 -3.068 -0.490 770 H TYR 93 H TYR 93 6.731 -3.157 -4.935 771 HA TYR 93 HA TYR 93 5.410 -5.448 -6.225 772 1HB TYR 93 2HB TYR 93 7.682 -5.021 -7.756 773 2HB TYR 93 1HB TYR 93 6.031 -4.638 -8.213 774 HD1 TYR 93 1HD TYR 93 8.723 -3.080 -6.125 775 HD2 TYR 93 2HD TYR 93 5.727 -2.542 -9.099 776 HE1 TYR 93 1HE TYR 93 9.334 -0.705 -6.305 777 HE2 TYR 93 2HE TYR 93 6.331 -0.166 -9.286 778 HH TYR 93 HH TYR 93 8.648 1.193 -8.748 779 H ALA 94 H ALA 94 5.973 -7.145 -5.052 780 HA ALA 94 HA ALA 94 8.577 -7.347 -3.807 781 1HB ALA 94 1HB ALA 94 7.509 -8.632 -2.355 782 2HB ALA 94 2HB ALA 94 7.066 -9.769 -3.628 783 3HB ALA 94 3HB ALA 94 6.025 -8.389 -3.275 784 H ASP 95 H ASP 95 10.044 -7.542 -5.481 785 HA ASP 95 HA ASP 95 11.357 -8.641 -6.977 786 1HB ASP 95 2HB ASP 95 10.474 -10.606 -5.269 787 2HB ASP 95 1HB ASP 95 9.995 -11.238 -6.841 788 H GLY 96 H GLY 96 9.123 -7.252 -7.936 789 1HA GLY 96 2HA GLY 96 8.079 -6.923 -9.960 790 2HA GLY 96 1HA GLY 96 8.938 -8.334 -10.561 791 H LYS 97 H LYS 97 6.802 -8.359 -7.776 792 HA LYS 97 HA LYS 97 5.046 -10.207 -9.233 793 1HB LYS 97 2HB LYS 97 5.772 -9.876 -6.352 794 2HB LYS 97 1HB LYS 97 4.217 -10.588 -6.761 795 1HG LYS 97 2HG LYS 97 5.421 -12.267 -8.145 796 2HG LYS 97 1HG LYS 97 6.939 -11.602 -7.541 797 1HD LYS 97 2HD LYS 97 6.708 -13.177 -5.947 798 2HD LYS 97 1HD LYS 97 5.608 -12.004 -5.218 799 1HE LYS 97 2HE LYS 97 4.357 -13.959 -5.211 800 2HE LYS 97 1HE LYS 97 3.803 -13.143 -6.674 801 1HZ LYS 97 1HZ LYS 97 5.787 -14.569 -7.677 802 2HZ LYS 97 2HZ LYS 97 4.210 -15.169 -7.549 803 3HZ LYS 97 3HZ LYS 97 5.368 -15.583 -6.388 804 H MET 98 H MET 98 3.006 -9.680 -9.694 805 HA MET 98 HA MET 98 1.895 -7.249 -8.451 806 1HB MET 98 2HB MET 98 2.483 -7.482 -11.064 807 2HB MET 98 1HB MET 98 0.853 -8.142 -11.082 808 1HG MET 98 2HG MET 98 -0.082 -6.141 -10.815 809 2HG MET 98 1HG MET 98 1.061 -5.672 -9.558 810 1HE MET 98 1HE MET 98 0.428 -6.140 -13.292 811 2HE MET 98 2HE MET 98 2.096 -6.710 -13.346 812 3HE MET 98 3HE MET 98 1.666 -5.169 -14.088 813 H VAL 99 H VAL 99 0.924 -8.494 -6.786 814 HA VAL 99 HA VAL 99 -0.903 -10.615 -7.392 815 HB VAL 99 HB VAL 99 -0.698 -9.065 -4.811 816 1HG1 VAL 99 1HG1 VAL 99 -1.459 -11.296 -3.885 817 2HG1 VAL 99 2HG1 VAL 99 -1.837 -11.748 -5.547 818 3HG1 VAL 99 3HG1 VAL 99 -2.658 -10.378 -4.797 819 1HG2 VAL 99 1HG2 VAL 99 0.939 -11.352 -5.864 820 2HG2 VAL 99 2HG2 VAL 99 0.773 -11.035 -4.137 821 3HG2 VAL 99 3HG2 VAL 99 1.493 -9.818 -5.192 822 H ASN 100 H ASN 100 -1.147 -7.286 -7.684 823 HA ASN 100 HA ASN 100 -3.696 -6.681 -6.750 824 1HB ASN 100 2HB ASN 100 -1.829 -5.192 -7.861 825 2HB ASN 100 1HB ASN 100 -2.744 -5.508 -9.332 826 1HD2 ASN 100 1HD2 ASN 100 -2.589 -3.766 -6.403 827 2HD2 ASN 100 2HD2 ASN 100 -4.057 -2.874 -6.589 828 H GLU 101 H GLU 101 -2.731 -8.607 -9.444 829 HA GLU 101 HA GLU 101 -5.356 -8.478 -10.696 830 1HB GLU 101 2HB GLU 101 -3.229 -8.525 -12.036 831 2HB GLU 101 1HB GLU 101 -2.986 -10.177 -11.484 832 1HG GLU 101 2HG GLU 101 -5.438 -10.457 -12.450 833 2HG GLU 101 1HG GLU 101 -4.924 -9.091 -13.441 834 H ALA 102 H ALA 102 -3.661 -10.394 -8.422 835 HA ALA 102 HA ALA 102 -4.869 -12.896 -8.868 836 1HB ALA 102 1HB ALA 102 -2.906 -12.809 -7.540 837 2HB ALA 102 2HB ALA 102 -4.214 -13.346 -6.485 838 3HB ALA 102 3HB ALA 102 -3.644 -11.678 -6.404 839 H LEU 103 H LEU 103 -5.489 -11.123 -5.871 840 HA LEU 103 HA LEU 103 -8.334 -11.788 -6.191 841 1HB LEU 103 2HB LEU 103 -8.551 -12.020 -3.849 842 2HB LEU 103 1HB LEU 103 -7.130 -12.922 -4.324 843 HG LEU 103 HG LEU 103 -6.668 -11.835 -2.253 844 1HD1 LEU 103 1HD1 LEU 103 -4.931 -11.812 -4.132 845 2HD1 LEU 103 2HD1 LEU 103 -4.661 -10.778 -2.730 846 3HD1 LEU 103 3HD1 LEU 103 -5.268 -10.084 -4.231 847 1HD2 LEU 103 1HD2 LEU 103 -8.453 -9.981 -2.853 848 2HD2 LEU 103 2HD2 LEU 103 -7.005 -9.090 -3.321 849 3HD2 LEU 103 3HD2 LEU 103 -7.170 -9.698 -1.676 850 H VAL 104 H VAL 104 -6.124 -9.189 -5.763 851 HA VAL 104 HA VAL 104 -7.808 -7.300 -4.552 852 HB VAL 104 HB VAL 104 -5.671 -6.675 -6.583 853 1HG1 VAL 104 1HG1 VAL 104 -5.497 -4.564 -5.497 854 2HG1 VAL 104 2HG1 VAL 104 -6.581 -5.075 -4.203 855 3HG1 VAL 104 3HG1 VAL 104 -7.204 -4.840 -5.836 856 1HG2 VAL 104 1HG2 VAL 104 -4.367 -6.378 -4.288 857 2HG2 VAL 104 2HG2 VAL 104 -4.401 -7.915 -5.156 858 3HG2 VAL 104 3HG2 VAL 104 -5.483 -7.650 -3.789 859 H ARG 105 H ARG 105 -7.746 -8.551 -7.775 860 HA ARG 105 HA ARG 105 -9.455 -6.387 -8.754 861 1HB ARG 105 2HB ARG 105 -9.062 -7.252 -10.965 862 2HB ARG 105 1HB ARG 105 -7.520 -7.119 -10.130 863 1HG ARG 105 2HG ARG 105 -7.201 -9.186 -10.938 864 2HG ARG 105 1HG ARG 105 -8.166 -9.669 -9.542 865 1HD ARG 105 2HD ARG 105 -9.601 -10.613 -10.954 866 2HD ARG 105 1HD ARG 105 -10.018 -8.995 -11.521 867 HE ARG 105 HE ARG 105 -8.812 -9.383 -13.436 868 1HH1 ARG 105 1HH1 ARG 105 -8.082 -11.869 -11.097 869 2HH1 ARG 105 2HH1 ARG 105 -7.207 -12.848 -12.226 870 1HH2 ARG 105 1HH2 ARG 105 -7.663 -10.669 -14.921 871 2HH2 ARG 105 2HH2 ARG 105 -6.968 -12.167 -14.396 872 H GLN 106 H GLN 106 -9.696 -9.546 -7.500 873 HA GLN 106 HA GLN 106 -12.147 -10.201 -8.894 874 1HB GLN 106 2HB GLN 106 -10.257 -11.594 -7.128 875 2HB GLN 106 1HB GLN 106 -11.939 -12.048 -6.889 876 1HG GLN 106 2HG GLN 106 -11.538 -12.011 -9.660 877 2HG GLN 106 1HG GLN 106 -10.124 -12.809 -8.970 878 1HE2 GLN 106 1HE2 GLN 106 -10.718 -14.435 -7.202 879 2HE2 GLN 106 2HE2 GLN 106 -12.029 -15.500 -7.571 880 H GLY 107 H GLY 107 -11.966 -7.825 -7.016 881 1HA GLY 107 2HA GLY 107 -13.398 -6.775 -5.562 882 2HA GLY 107 1HA GLY 107 -14.552 -8.048 -5.922 883 H LEU 108 H LEU 108 -11.367 -8.150 -4.351 884 HA LEU 108 HA LEU 108 -12.688 -9.251 -1.957 885 1HB LEU 108 2HB LEU 108 -10.467 -10.271 -3.579 886 2HB LEU 108 1HB LEU 108 -10.136 -10.249 -1.857 887 HG LEU 108 HG LEU 108 -12.251 -11.554 -1.508 888 1HD1 LEU 108 1HD1 LEU 108 -13.642 -11.398 -3.281 889 2HD1 LEU 108 2HD1 LEU 108 -12.755 -12.830 -3.806 890 3HD1 LEU 108 3HD1 LEU 108 -12.323 -11.243 -4.443 891 1HD2 LEU 108 1HD2 LEU 108 -9.769 -12.419 -1.980 892 2HD2 LEU 108 2HD2 LEU 108 -10.593 -13.184 -3.339 893 3HD2 LEU 108 3HD2 LEU 108 -11.122 -13.513 -1.688 894 H ALA 109 H ALA 109 -9.868 -7.545 -3.189 895 HA ALA 109 HA ALA 109 -9.686 -6.023 -0.691 896 1HB ALA 109 1HB ALA 109 -7.171 -6.083 -1.023 897 2HB ALA 109 2HB ALA 109 -7.453 -7.391 -2.172 898 3HB ALA 109 3HB ALA 109 -7.921 -7.584 -0.486 899 H LYS 110 H LYS 110 -10.948 -5.257 -3.142 900 HA LYS 110 HA LYS 110 -9.289 -3.747 -4.830 901 1HB LYS 110 2HB LYS 110 -12.131 -2.967 -4.238 902 2HB LYS 110 1HB LYS 110 -11.244 -2.812 -5.745 903 1HG LYS 110 2HG LYS 110 -11.171 -5.469 -5.485 904 2HG LYS 110 1HG LYS 110 -12.666 -5.136 -4.609 905 1HD LYS 110 2HD LYS 110 -12.109 -4.020 -7.348 906 2HD LYS 110 1HD LYS 110 -12.879 -5.589 -7.101 907 1HE LYS 110 2HE LYS 110 -13.896 -2.978 -5.990 908 2HE LYS 110 1HE LYS 110 -14.497 -3.746 -7.457 909 1HZ LYS 110 1HZ LYS 110 -15.932 -4.295 -5.645 910 2HZ LYS 110 2HZ LYS 110 -14.638 -4.835 -4.700 911 3HZ LYS 110 3HZ LYS 110 -15.088 -5.694 -6.085 Start of MODEL 5 1 1H ALA 1 1HT ALA 1 14.029 -0.357 -30.344 2 2H ALA 1 2HT ALA 1 14.205 -1.887 -29.588 3 3H ALA 1 3HT ALA 1 15.266 -1.426 -30.856 4 HA ALA 1 HA ALA 1 16.096 -1.301 -28.506 5 1HB ALA 1 1HB ALA 1 17.139 1.012 -29.077 6 2HB ALA 1 2HB ALA 1 16.295 0.807 -30.612 7 3HB ALA 1 3HB ALA 1 17.490 -0.383 -30.097 8 H THR 2 H THR 2 13.453 -0.995 -27.852 9 HA THR 2 HA THR 2 13.094 1.702 -26.815 10 HB THR 2 HB THR 2 11.247 -0.647 -26.414 11 HG1 THR 2 1HG THR 2 10.235 -0.036 -28.318 12 1HG2 THR 2 1HG2 THR 2 10.801 1.417 -25.112 13 2HG2 THR 2 2HG2 THR 2 9.508 0.971 -26.226 14 3HG2 THR 2 3HG2 THR 2 10.616 2.282 -26.636 15 H SER 3 H SER 3 13.974 2.220 -24.934 16 HA SER 3 HA SER 3 14.405 0.125 -22.927 17 1HB SER 3 2HB SER 3 16.432 1.278 -23.380 18 2HB SER 3 1HB SER 3 15.636 2.850 -23.330 19 HG SER 3 HG SER 3 16.908 2.048 -21.404 20 H THR 4 H THR 4 13.419 0.150 -20.982 21 HA THR 4 HA THR 4 11.362 2.188 -20.569 22 HB THR 4 HB THR 4 10.516 0.601 -18.825 23 HG1 THR 4 1HG THR 4 12.476 -0.474 -18.401 24 1HG2 THR 4 1HG2 THR 4 9.315 0.226 -20.718 25 2HG2 THR 4 2HG2 THR 4 10.100 -1.344 -20.541 26 3HG2 THR 4 3HG2 THR 4 10.742 -0.162 -21.681 27 H LYS 5 H LYS 5 11.758 3.829 -19.254 28 HA LYS 5 HA LYS 5 14.063 3.944 -17.591 29 1HB LYS 5 2HB LYS 5 11.642 5.757 -17.601 30 2HB LYS 5 1HB LYS 5 13.208 6.121 -16.889 31 1HG LYS 5 2HG LYS 5 13.209 5.408 -19.752 32 2HG LYS 5 1HG LYS 5 12.462 6.949 -19.320 33 1HD LYS 5 2HD LYS 5 14.434 7.893 -18.797 34 2HD LYS 5 1HD LYS 5 15.030 6.436 -18.000 35 1HE LYS 5 2HE LYS 5 16.424 6.337 -19.764 36 2HE LYS 5 1HE LYS 5 15.029 5.631 -20.582 37 1HZ LYS 5 1HZ LYS 5 16.358 7.733 -21.506 38 2HZ LYS 5 2HZ LYS 5 15.180 8.533 -20.595 39 3HZ LYS 5 3HZ LYS 5 14.717 7.467 -21.823 40 H LYS 6 H LYS 6 14.271 2.877 -15.742 41 HA LYS 6 HA LYS 6 11.939 2.728 -13.949 42 1HB LYS 6 2HB LYS 6 12.843 0.528 -13.169 43 2HB LYS 6 1HB LYS 6 12.265 0.525 -14.829 44 1HG LYS 6 2HG LYS 6 14.399 0.373 -15.711 45 2HG LYS 6 1HG LYS 6 15.157 0.994 -14.244 46 1HD LYS 6 2HD LYS 6 15.293 -1.046 -13.322 47 2HD LYS 6 1HD LYS 6 13.658 -1.477 -13.822 48 1HE LYS 6 2HE LYS 6 14.971 -1.478 -16.205 49 2HE LYS 6 1HE LYS 6 16.239 -2.027 -15.107 50 1HZ LYS 6 1HZ LYS 6 13.784 -3.354 -15.919 51 2HZ LYS 6 2HZ LYS 6 14.210 -3.530 -14.291 52 3HZ LYS 6 3HZ LYS 6 15.287 -4.013 -15.503 53 H LEU 7 H LEU 7 12.358 2.795 -11.721 54 HA LEU 7 HA LEU 7 14.757 4.281 -11.037 55 1HB LEU 7 2HB LEU 7 12.278 4.717 -10.273 56 2HB LEU 7 1HB LEU 7 12.669 3.536 -9.036 57 HG LEU 7 HG LEU 7 14.468 4.928 -8.205 58 1HD1 LEU 7 1HD1 LEU 7 13.981 6.396 -10.721 59 2HD1 LEU 7 2HD1 LEU 7 15.485 6.099 -9.849 60 3HD1 LEU 7 3HD1 LEU 7 14.384 7.364 -9.302 61 1HD2 LEU 7 1HD2 LEU 7 13.101 6.243 -7.009 62 2HD2 LEU 7 2HD2 LEU 7 11.815 5.445 -7.914 63 3HD2 LEU 7 3HD2 LEU 7 12.422 7.014 -8.443 64 H HIS 8 H HIS 8 16.090 3.716 -9.225 65 HA HIS 8 HA HIS 8 16.839 0.978 -9.232 66 1HB HIS 8 2HB HIS 8 18.371 1.729 -7.322 67 2HB HIS 8 1HB HIS 8 18.598 2.515 -8.881 68 HD1 HIS 8 1HD HIS 8 15.663 3.769 -7.104 69 HD2 HIS 8 2HD HIS 8 19.726 4.630 -7.228 70 HE1 HIS 8 1HE HIS 8 15.899 6.048 -6.068 71 HE2 HIS 8 2HE HIS 8 18.374 6.522 -6.094 72 H LYS 9 H LYS 9 15.749 -0.571 -8.263 73 HA LYS 9 HA LYS 9 13.830 -0.134 -6.237 74 1HB LYS 9 2HB LYS 9 14.935 -2.446 -7.691 75 2HB LYS 9 1HB LYS 9 14.316 -2.808 -6.085 76 1HG LYS 9 2HG LYS 9 12.163 -1.839 -6.685 77 2HG LYS 9 1HG LYS 9 12.781 -1.450 -8.290 78 1HD LYS 9 2HD LYS 9 13.174 -4.246 -7.568 79 2HD LYS 9 1HD LYS 9 11.476 -3.771 -7.569 80 1HE LYS 9 2HE LYS 9 12.332 -2.613 -9.863 81 2HE LYS 9 1HE LYS 9 13.374 -4.033 -9.801 82 1HZ LYS 9 1HZ LYS 9 11.209 -5.296 -9.362 83 2HZ LYS 9 2HZ LYS 9 11.505 -4.758 -10.938 84 3HZ LYS 9 3HZ LYS 9 10.429 -3.912 -9.945 85 H GLU 10 H GLU 10 14.392 0.554 -4.278 86 HA GLU 10 HA GLU 10 16.777 -0.542 -2.980 87 1HB GLU 10 2HB GLU 10 16.466 1.233 -1.324 88 2HB GLU 10 1HB GLU 10 16.504 1.901 -2.951 89 1HG GLU 10 2HG GLU 10 13.835 1.472 -2.572 90 2HG GLU 10 1HG GLU 10 14.375 1.925 -0.956 91 HA PRO 11 HA PRO 11 14.508 -3.346 -0.464 92 1HB PRO 11 2HB PRO 11 15.740 -3.014 1.981 93 2HB PRO 11 1HB PRO 11 16.380 -4.000 0.662 94 1HG PRO 11 2HG PRO 11 17.099 -1.211 1.465 95 2HG PRO 11 1HG PRO 11 18.153 -2.531 0.922 96 1HD PRO 11 2HD PRO 11 17.444 -0.520 -0.716 97 2HD PRO 11 1HD PRO 11 17.649 -2.181 -1.311 98 H ALA 12 H ALA 12 12.488 -2.965 0.103 99 HA ALA 12 HA ALA 12 11.917 -1.188 2.340 100 1HB ALA 12 1HB ALA 12 11.667 -0.064 -0.047 101 2HB ALA 12 2HB ALA 12 10.528 0.267 1.259 102 3HB ALA 12 3HB ALA 12 10.112 -0.894 -0.002 103 H THR 13 H THR 13 10.996 -2.634 3.692 104 HA THR 13 HA THR 13 8.848 -4.319 2.580 105 HB THR 13 HB THR 13 10.636 -5.086 4.890 106 HG1 THR 13 1HG THR 13 11.774 -6.322 3.448 107 1HG2 THR 13 1HG2 THR 13 8.494 -6.490 3.367 108 2HG2 THR 13 2HG2 THR 13 8.792 -6.437 5.106 109 3HG2 THR 13 3HG2 THR 13 9.832 -7.407 4.062 110 H LEU 14 H LEU 14 7.006 -4.613 3.818 111 HA LEU 14 HA LEU 14 6.570 -2.573 5.852 112 1HB LEU 14 2HB LEU 14 4.160 -3.635 5.671 113 2HB LEU 14 1HB LEU 14 4.747 -2.478 4.493 114 HG LEU 14 HG LEU 14 5.184 -5.367 3.929 115 1HD1 LEU 14 1HD1 LEU 14 3.014 -5.807 3.237 116 2HD1 LEU 14 2HD1 LEU 14 2.559 -4.102 3.250 117 3HD1 LEU 14 3HD1 LEU 14 2.781 -4.967 4.770 118 1HD2 LEU 14 1HD2 LEU 14 4.310 -3.113 2.137 119 2HD2 LEU 14 2HD2 LEU 14 5.000 -4.666 1.669 120 3HD2 LEU 14 3HD2 LEU 14 6.000 -3.470 2.492 121 H ILE 15 H ILE 15 5.924 -2.983 7.948 122 HA ILE 15 HA ILE 15 6.742 -5.564 8.982 123 HB ILE 15 HB ILE 15 7.446 -3.490 10.117 124 1HG1 ILE 15 2HG1 ILE 15 6.500 -4.214 12.456 125 2HG1 ILE 15 1HG1 ILE 15 5.814 -5.557 11.548 126 1HG2 ILE 15 1HG2 ILE 15 4.565 -3.188 10.942 127 2HG2 ILE 15 2HG2 ILE 15 5.340 -2.235 9.676 128 3HG2 ILE 15 3HG2 ILE 15 5.912 -2.123 11.341 129 1HD1 ILE 15 1HD1 ILE 15 8.442 -5.250 12.553 130 2HD1 ILE 15 2HD1 ILE 15 8.525 -5.309 10.792 131 3HD1 ILE 15 3HD1 ILE 15 7.744 -6.616 11.682 132 H LYS 16 H LYS 16 3.798 -3.568 8.983 133 HA LYS 16 HA LYS 16 2.044 -5.732 8.751 134 1HB LYS 16 2HB LYS 16 3.039 -5.862 11.215 135 2HB LYS 16 1HB LYS 16 1.786 -4.665 11.520 136 1HG LYS 16 2HG LYS 16 0.473 -6.429 11.886 137 2HG LYS 16 1HG LYS 16 0.405 -6.552 10.127 138 1HD LYS 16 2HD LYS 16 2.657 -7.920 10.543 139 2HD LYS 16 1HD LYS 16 1.877 -8.210 12.099 140 1HE LYS 16 2HE LYS 16 0.060 -8.547 9.852 141 2HE LYS 16 1HE LYS 16 1.452 -9.625 9.766 142 1HZ LYS 16 1HZ LYS 16 0.792 -10.769 11.577 143 2HZ LYS 16 2HZ LYS 16 -0.738 -10.199 11.132 144 3HZ LYS 16 3HZ LYS 16 0.133 -9.417 12.352 145 H ALA 17 H ALA 17 0.067 -5.019 8.183 146 HA ALA 17 HA ALA 17 -0.485 -2.146 8.559 147 1HB ALA 17 1HB ALA 17 -0.086 -2.976 6.207 148 2HB ALA 17 2HB ALA 17 -1.600 -2.112 6.472 149 3HB ALA 17 3HB ALA 17 -1.597 -3.872 6.359 150 H ILE 18 H ILE 18 -2.629 -1.499 9.022 151 HA ILE 18 HA ILE 18 -4.017 -3.064 10.856 152 HB ILE 18 HB ILE 18 -4.289 -0.624 10.693 153 1HG1 ILE 18 2HG1 ILE 18 -7.028 -0.928 10.503 154 2HG1 ILE 18 1HG1 ILE 18 -6.481 -2.553 10.905 155 1HG2 ILE 18 1HG2 ILE 18 -4.363 -0.543 8.206 156 2HG2 ILE 18 2HG2 ILE 18 -5.620 0.409 8.997 157 3HG2 ILE 18 3HG2 ILE 18 -6.015 -1.154 8.285 158 1HD1 ILE 18 1HD1 ILE 18 -6.585 -1.841 13.013 159 2HD1 ILE 18 2HD1 ILE 18 -6.577 -0.142 12.541 160 3HD1 ILE 18 3HD1 ILE 18 -5.059 -1.031 12.660 161 H ASP 19 H ASP 19 -4.692 -2.512 7.425 162 HA ASP 19 HA ASP 19 -5.468 -5.019 6.718 163 1HB ASP 19 2HB ASP 19 -7.255 -4.867 8.419 164 2HB ASP 19 1HB ASP 19 -7.908 -3.449 7.607 165 H GLY 20 H GLY 20 -8.056 -2.986 5.795 166 1HA GLY 20 2HA GLY 20 -6.771 -2.550 3.211 167 2HA GLY 20 1HA GLY 20 -8.487 -2.405 3.556 168 H ASP 21 H ASP 21 -7.318 -0.810 6.060 169 HA ASP 21 HA ASP 21 -7.768 1.745 4.817 170 1HB ASP 21 2HB ASP 21 -7.219 0.902 7.659 171 2HB ASP 21 1HB ASP 21 -7.380 2.592 7.189 172 H THR 22 H THR 22 -5.302 1.378 7.300 173 HA THR 22 HA THR 22 -3.447 2.823 5.565 174 HB THR 22 HB THR 22 -2.984 2.222 8.472 175 HG1 THR 22 1HG THR 22 -4.670 4.185 7.342 176 1HG2 THR 22 1HG2 THR 22 -1.832 4.363 8.461 177 2HG2 THR 22 2HG2 THR 22 -2.204 4.561 6.748 178 3HG2 THR 22 3HG2 THR 22 -1.141 3.256 7.274 179 H VAL 23 H VAL 23 -1.182 2.251 5.551 180 HA VAL 23 HA VAL 23 -0.504 -0.496 6.242 181 HB VAL 23 HB VAL 23 0.276 0.318 3.489 182 1HG1 VAL 23 1HG1 VAL 23 0.863 -1.834 4.846 183 2HG1 VAL 23 2HG1 VAL 23 0.498 -1.943 3.125 184 3HG1 VAL 23 3HG1 VAL 23 -0.733 -2.365 4.315 185 1HG2 VAL 23 1HG2 VAL 23 -1.785 -0.518 2.508 186 2HG2 VAL 23 2HG2 VAL 23 -2.120 0.863 3.552 187 3HG2 VAL 23 3HG2 VAL 23 -2.467 -0.774 4.115 188 H LYS 24 H LYS 24 1.229 -0.136 7.486 189 HA LYS 24 HA LYS 24 3.034 2.055 6.948 190 1HB LYS 24 2HB LYS 24 2.227 0.987 9.251 191 2HB LYS 24 1HB LYS 24 3.661 -0.000 9.007 192 1HG LYS 24 2HG LYS 24 4.296 1.839 10.352 193 2HG LYS 24 1HG LYS 24 4.965 2.122 8.743 194 1HD LYS 24 2HD LYS 24 4.071 4.193 9.317 195 2HD LYS 24 1HD LYS 24 2.801 3.469 8.330 196 1HE LYS 24 2HE LYS 24 1.629 4.310 10.147 197 2HE LYS 24 1HE LYS 24 1.859 2.614 10.575 198 1HZ LYS 24 1HZ LYS 24 4.025 3.644 11.670 199 2HZ LYS 24 2HZ LYS 24 2.550 3.559 12.493 200 3HZ LYS 24 3HZ LYS 24 3.027 5.007 11.763 201 H LEU 25 H LEU 25 5.214 1.906 6.453 202 HA LEU 25 HA LEU 25 6.131 -0.715 5.472 203 1HB LEU 25 2HB LEU 25 6.182 1.963 4.165 204 2HB LEU 25 1HB LEU 25 7.521 0.870 3.867 205 HG LEU 25 HG LEU 25 4.727 -0.114 3.472 206 1HD1 LEU 25 1HD1 LEU 25 5.036 2.124 2.313 207 2HD1 LEU 25 2HD1 LEU 25 4.571 0.759 1.297 208 3HD1 LEU 25 3HD1 LEU 25 6.244 1.318 1.312 209 1HD2 LEU 25 1HD2 LEU 25 7.393 -0.707 2.195 210 2HD2 LEU 25 2HD2 LEU 25 5.864 -1.444 1.722 211 3HD2 LEU 25 3HD2 LEU 25 6.515 -1.725 3.336 212 H MET 26 H MET 26 8.062 -1.373 6.202 213 HA MET 26 HA MET 26 9.475 0.321 8.078 214 1HB MET 26 2HB MET 26 8.975 -2.179 8.378 215 2HB MET 26 1HB MET 26 10.286 -2.455 7.239 216 1HG MET 26 2HG MET 26 11.603 -2.496 9.027 217 2HG MET 26 1HG MET 26 11.432 -0.741 9.031 218 1HE MET 26 1HE MET 26 11.759 -3.421 11.235 219 2HE MET 26 2HE MET 26 10.245 -4.134 10.680 220 3HE MET 26 3HE MET 26 10.377 -3.518 12.326 221 H TYR 27 H TYR 27 10.661 1.852 7.069 222 HA TYR 27 HA TYR 27 12.703 0.909 5.167 223 1HB TYR 27 2HB TYR 27 10.877 2.263 4.085 224 2HB TYR 27 1HB TYR 27 11.381 3.627 5.077 225 HD1 TYR 27 1HD TYR 27 12.645 5.186 3.957 226 HD2 TYR 27 2HD TYR 27 13.080 1.085 2.915 227 HE1 TYR 27 1HE TYR 27 14.322 5.799 2.267 228 HE2 TYR 27 2HE TYR 27 14.760 1.687 1.221 229 HH TYR 27 HH TYR 27 15.472 3.565 -0.080 230 H LYS 28 H LYS 28 14.605 1.010 6.140 231 HA LYS 28 HA LYS 28 16.292 1.627 7.541 232 1HB LYS 28 2HB LYS 28 17.095 3.866 7.240 233 2HB LYS 28 1HB LYS 28 16.433 3.312 5.710 234 1HG LYS 28 2HG LYS 28 14.647 4.753 5.803 235 2HG LYS 28 1HG LYS 28 14.703 4.883 7.561 236 1HD LYS 28 2HD LYS 28 15.449 6.952 6.509 237 2HD LYS 28 1HD LYS 28 16.766 6.188 7.399 238 1HE LYS 28 2HE LYS 28 17.257 5.092 5.053 239 2HE LYS 28 1HE LYS 28 16.378 6.500 4.462 240 1HZ LYS 28 1HZ LYS 28 18.646 6.737 6.350 241 2HZ LYS 28 2HZ LYS 28 17.950 7.946 5.393 242 3HZ LYS 28 3HZ LYS 28 18.869 6.723 4.672 243 H GLY 29 H GLY 29 13.637 1.403 8.777 244 1HA GLY 29 2HA GLY 29 13.159 1.509 11.084 245 2HA GLY 29 1HA GLY 29 14.290 2.844 11.234 246 H GLN 30 H GLN 30 12.890 4.041 8.765 247 HA GLN 30 HA GLN 30 10.950 5.540 10.307 248 1HB GLN 30 2HB GLN 30 12.534 6.688 8.798 249 2HB GLN 30 1HB GLN 30 11.809 5.862 7.426 250 1HG GLN 30 2HG GLN 30 9.791 7.046 7.647 251 2HG GLN 30 1HG GLN 30 10.215 7.624 9.258 252 1HE2 GLN 30 1HE2 GLN 30 10.977 7.889 5.840 253 2HE2 GLN 30 2HE2 GLN 30 11.667 9.471 5.924 254 HA PRO 31 HA PRO 31 7.703 2.890 8.652 255 1HB PRO 31 2HB PRO 31 5.735 3.722 10.275 256 2HB PRO 31 1HB PRO 31 7.035 2.675 10.857 257 1HG PRO 31 2HG PRO 31 6.707 5.634 11.165 258 2HG PRO 31 1HG PRO 31 7.235 4.437 12.361 259 1HD PRO 31 2HD PRO 31 8.948 6.040 10.947 260 2HD PRO 31 1HD PRO 31 9.394 4.451 11.597 261 H MET 32 H MET 32 7.324 3.689 6.611 262 HA MET 32 HA MET 32 5.875 6.222 6.354 263 1HB MET 32 2HB MET 32 7.563 4.581 4.524 264 2HB MET 32 1HB MET 32 6.308 5.586 3.813 265 1HG MET 32 2HG MET 32 7.356 7.457 5.283 266 2HG MET 32 1HG MET 32 8.759 6.391 5.304 267 1HE MET 32 1HE MET 32 9.982 9.011 3.374 268 2HE MET 32 2HE MET 32 8.717 9.129 4.596 269 3HE MET 32 3HE MET 32 8.400 9.657 2.944 270 H THR 33 H THR 33 3.770 6.285 5.910 271 HA THR 33 HA THR 33 2.430 3.764 5.210 272 HB THR 33 HB THR 33 1.536 4.588 7.234 273 HG1 THR 33 1HG THR 33 -0.208 5.621 5.258 274 1HG2 THR 33 1HG2 THR 33 1.749 7.263 5.965 275 2HG2 THR 33 2HG2 THR 33 2.174 6.744 7.596 276 3HG2 THR 33 3HG2 THR 33 0.482 6.985 7.160 277 H PHE 34 H PHE 34 1.104 3.610 3.447 278 HA PHE 34 HA PHE 34 0.880 5.997 1.738 279 1HB PHE 34 2HB PHE 34 1.257 4.636 -0.233 280 2HB PHE 34 1HB PHE 34 2.609 4.439 0.876 281 HD1 PHE 34 1HD PHE 34 -0.360 2.831 -0.558 282 HD2 PHE 34 2HD PHE 34 3.066 2.335 1.916 283 HE1 PHE 34 1HE PHE 34 -0.668 0.392 -0.628 284 HE2 PHE 34 2HE PHE 34 2.766 -0.106 1.850 285 HZ PHE 34 HZ PHE 34 0.897 -1.082 0.576 286 H ARG 35 H ARG 35 -0.964 6.112 0.391 287 HA ARG 35 HA ARG 35 -3.181 5.928 -0.076 288 1HB ARG 35 2HB ARG 35 -2.467 3.695 -0.885 289 2HB ARG 35 1HB ARG 35 -2.797 3.035 0.711 290 1HG ARG 35 2HG ARG 35 -4.973 2.849 0.296 291 2HG ARG 35 1HG ARG 35 -5.068 4.483 -0.367 292 1HD ARG 35 2HD ARG 35 -4.057 2.058 -1.849 293 2HD ARG 35 1HD ARG 35 -5.671 2.748 -2.015 294 HE ARG 35 HE ARG 35 -4.066 4.843 -2.569 295 1HH1 ARG 35 1HH1 ARG 35 -4.182 1.569 -3.774 296 2HH1 ARG 35 2HH1 ARG 35 -3.570 1.992 -5.338 297 1HH2 ARG 35 1HH2 ARG 35 -3.262 5.399 -4.626 298 2HH2 ARG 35 2HH2 ARG 35 -3.048 4.165 -5.821 299 H LEU 36 H LEU 36 -4.253 7.128 1.383 300 HA LEU 36 HA LEU 36 -5.286 5.729 3.734 301 1HB LEU 36 2HB LEU 36 -4.906 7.583 5.206 302 2HB LEU 36 1HB LEU 36 -3.389 7.091 4.488 303 HG LEU 36 HG LEU 36 -3.166 9.359 4.410 304 1HD1 LEU 36 1HD1 LEU 36 -3.449 10.178 2.190 305 2HD1 LEU 36 2HD1 LEU 36 -4.691 8.978 1.846 306 3HD1 LEU 36 3HD1 LEU 36 -3.023 8.471 2.102 307 1HD2 LEU 36 1HD2 LEU 36 -4.850 10.613 5.094 308 2HD2 LEU 36 2HD2 LEU 36 -6.008 9.337 4.715 309 3HD2 LEU 36 3HD2 LEU 36 -5.551 10.509 3.479 310 H LEU 37 H LEU 37 -7.333 5.518 3.092 311 HA LEU 37 HA LEU 37 -8.809 7.994 2.488 312 1HB LEU 37 2HB LEU 37 -8.811 5.365 1.103 313 2HB LEU 37 1HB LEU 37 -10.350 6.193 1.256 314 HG LEU 37 HG LEU 37 -8.663 8.178 0.329 315 1HD1 LEU 37 1HD1 LEU 37 -7.747 5.527 -0.620 316 2HD1 LEU 37 2HD1 LEU 37 -6.848 7.027 -0.390 317 3HD1 LEU 37 3HD1 LEU 37 -7.869 6.820 -1.813 318 1HD2 LEU 37 1HD2 LEU 37 -10.265 6.420 -1.498 319 2HD2 LEU 37 2HD2 LEU 37 -10.019 8.166 -1.570 320 3HD2 LEU 37 3HD2 LEU 37 -11.040 7.471 -0.312 321 H LEU 38 H LEU 38 -10.444 8.414 3.825 322 HA LEU 38 HA LEU 38 -11.585 6.186 5.379 323 1HB LEU 38 2HB LEU 38 -10.106 8.354 6.366 324 2HB LEU 38 1HB LEU 38 -11.776 8.715 6.760 325 HG LEU 38 HG LEU 38 -10.658 7.550 8.594 326 1HD1 LEU 38 1HD1 LEU 38 -12.265 5.414 8.441 327 2HD1 LEU 38 2HD1 LEU 38 -12.980 6.408 7.174 328 3HD1 LEU 38 3HD1 LEU 38 -12.846 7.035 8.816 329 1HD2 LEU 38 1HD2 LEU 38 -10.395 5.208 6.716 330 2HD2 LEU 38 2HD2 LEU 38 -9.844 5.309 8.389 331 3HD2 LEU 38 3HD2 LEU 38 -9.069 6.287 7.143 332 H VAL 39 H VAL 39 -13.662 5.914 4.957 333 HA VAL 39 HA VAL 39 -15.309 8.279 4.346 334 HB VAL 39 HB VAL 39 -15.694 5.569 3.074 335 1HG1 VAL 39 1HG1 VAL 39 -17.415 6.492 1.856 336 2HG1 VAL 39 2HG1 VAL 39 -16.809 8.137 2.045 337 3HG1 VAL 39 3HG1 VAL 39 -17.598 7.328 3.399 338 1HG2 VAL 39 1HG2 VAL 39 -14.973 7.138 1.017 339 2HG2 VAL 39 2HG2 VAL 39 -13.835 6.138 1.917 340 3HG2 VAL 39 3HG2 VAL 39 -13.992 7.852 2.297 341 H ASP 40 H ASP 40 -16.960 8.521 5.696 342 HA ASP 40 HA ASP 40 -17.931 6.156 7.161 343 1HB ASP 40 2HB ASP 40 -16.737 8.186 8.364 344 2HB ASP 40 1HB ASP 40 -18.334 8.918 8.228 345 H THR 41 H THR 41 -19.874 5.529 6.521 346 HA THR 41 HA THR 41 -21.954 7.524 6.080 347 HB THR 41 HB THR 41 -22.210 5.459 4.078 348 HG1 THR 41 1HG THR 41 -20.209 5.329 3.489 349 1HG2 THR 41 1HG2 THR 41 -23.408 7.456 3.769 350 2HG2 THR 41 2HG2 THR 41 -22.145 7.448 2.538 351 3HG2 THR 41 3HG2 THR 41 -21.965 8.446 3.982 352 HA PRO 42 HA PRO 42 -24.162 4.650 8.669 353 1HB PRO 42 2HB PRO 42 -26.527 5.824 7.294 354 2HB PRO 42 1HB PRO 42 -26.201 5.649 9.022 355 1HG PRO 42 2HG PRO 42 -25.991 8.023 7.837 356 2HG PRO 42 1HG PRO 42 -24.839 7.526 9.091 357 1HD PRO 42 2HD PRO 42 -24.489 7.633 6.126 358 2HD PRO 42 1HD PRO 42 -23.325 8.000 7.416 359 H GLU 43 H GLU 43 -25.540 5.125 5.406 360 HA GLU 43 HA GLU 43 -26.379 2.358 5.304 361 1HB GLU 43 2HB GLU 43 -27.316 4.695 4.166 362 2HB GLU 43 1HB GLU 43 -26.560 3.870 2.808 363 1HG GLU 43 2HG GLU 43 -28.498 2.471 4.615 364 2HG GLU 43 1HG GLU 43 -29.037 3.445 3.248 365 H THR 44 H THR 44 -23.951 4.416 3.774 366 HA THR 44 HA THR 44 -22.927 2.123 2.272 367 HB THR 44 HB THR 44 -21.300 4.252 1.637 368 HG1 THR 44 1HG THR 44 -22.758 5.985 1.304 369 1HG2 THR 44 1HG2 THR 44 -23.882 3.903 0.188 370 2HG2 THR 44 2HG2 THR 44 -22.659 2.633 0.159 371 3HG2 THR 44 3HG2 THR 44 -22.272 4.242 -0.449 372 H LYS 45 H LYS 45 -21.853 0.890 3.768 373 HA LYS 45 HA LYS 45 -19.578 2.188 5.119 374 1HB LYS 45 2HB LYS 45 -21.512 1.199 6.535 375 2HB LYS 45 1HB LYS 45 -20.831 -0.361 6.096 376 1HG LYS 45 2HG LYS 45 -19.973 0.272 8.232 377 2HG LYS 45 1HG LYS 45 -18.664 0.373 7.053 378 1HD LYS 45 2HD LYS 45 -18.305 2.423 7.877 379 2HD LYS 45 1HD LYS 45 -19.742 2.897 6.970 380 1HE LYS 45 2HE LYS 45 -21.054 2.992 8.826 381 2HE LYS 45 1HE LYS 45 -20.159 1.719 9.657 382 1HZ LYS 45 1HZ LYS 45 -19.424 3.468 10.850 383 2HZ LYS 45 2HZ LYS 45 -19.694 4.591 9.615 384 3HZ LYS 45 3HZ LYS 45 -18.312 3.614 9.582 385 H HIS 46 H HIS 46 -19.726 0.961 2.429 386 HA HIS 46 HA HIS 46 -17.477 -0.880 2.773 387 1HB HIS 46 2HB HIS 46 -19.841 -1.486 0.984 388 2HB HIS 46 1HB HIS 46 -18.392 -2.469 1.158 389 HD1 HIS 46 1HD HIS 46 -21.083 -1.115 3.497 390 HD2 HIS 46 2HD HIS 46 -18.795 -4.523 2.853 391 HE1 HIS 46 1HE HIS 46 -21.841 -2.772 5.231 392 HE2 HIS 46 2HE HIS 46 -20.504 -4.855 4.765 393 HA PRO 47 HA PRO 47 -16.947 2.189 -0.709 394 1HB PRO 47 2HB PRO 47 -14.797 3.446 0.723 395 2HB PRO 47 1HB PRO 47 -16.360 4.133 0.285 396 1HG PRO 47 2HG PRO 47 -15.560 3.596 2.865 397 2HG PRO 47 1HG PRO 47 -17.248 3.725 2.342 398 1HD PRO 47 2HD PRO 47 -15.592 1.283 2.828 399 2HD PRO 47 1HD PRO 47 -17.304 1.579 3.197 400 H LYS 48 H LYS 48 -14.140 1.388 1.335 401 HA LYS 48 HA LYS 48 -13.032 -0.352 -0.677 402 1HB LYS 48 2HB LYS 48 -10.866 1.010 -0.738 403 2HB LYS 48 1HB LYS 48 -12.221 1.613 -1.683 404 1HG LYS 48 2HG LYS 48 -12.587 2.881 0.710 405 2HG LYS 48 1HG LYS 48 -10.828 2.808 0.587 406 1HD LYS 48 2HD LYS 48 -10.762 4.268 -1.128 407 2HD LYS 48 1HD LYS 48 -12.211 3.598 -1.883 408 1HE LYS 48 2HE LYS 48 -13.368 4.721 0.220 409 2HE LYS 48 1HE LYS 48 -11.940 5.752 0.146 410 1HZ LYS 48 1HZ LYS 48 -14.093 6.339 -1.188 411 2HZ LYS 48 2HZ LYS 48 -13.445 5.265 -2.323 412 3HZ LYS 48 3HZ LYS 48 -12.562 6.627 -1.853 413 H LYS 49 H LYS 49 -13.848 -0.469 2.127 414 HA LYS 49 HA LYS 49 -11.512 -0.556 3.762 415 1HB LYS 49 2HB LYS 49 -14.248 -0.607 4.208 416 2HB LYS 49 1HB LYS 49 -13.727 -2.220 4.676 417 1HG LYS 49 2HG LYS 49 -11.848 -0.781 5.923 418 2HG LYS 49 1HG LYS 49 -13.163 0.395 5.922 419 1HD LYS 49 2HD LYS 49 -14.521 -0.926 7.239 420 2HD LYS 49 1HD LYS 49 -13.711 -2.419 6.761 421 1HE LYS 49 2HE LYS 49 -11.663 -1.316 7.983 422 2HE LYS 49 1HE LYS 49 -12.922 -0.392 8.801 423 1HZ LYS 49 1HZ LYS 49 -12.302 -2.419 10.005 424 2HZ LYS 49 2HZ LYS 49 -12.798 -3.358 8.689 425 3HZ LYS 49 3HZ LYS 49 -13.930 -2.434 9.543 426 H GLY 50 H GLY 50 -12.664 -2.610 1.355 427 1HA GLY 50 2HA GLY 50 -11.113 -4.414 0.731 428 2HA GLY 50 1HA GLY 50 -11.046 -4.833 2.437 429 H VAL 51 H VAL 51 -13.677 -4.831 3.172 430 HA VAL 51 HA VAL 51 -14.581 -7.330 2.328 431 HB VAL 51 HB VAL 51 -15.283 -6.299 4.446 432 1HG1 VAL 51 1HG1 VAL 51 -17.226 -4.683 4.326 433 2HG1 VAL 51 2HG1 VAL 51 -16.816 -4.458 2.626 434 3HG1 VAL 51 3HG1 VAL 51 -15.648 -4.035 3.878 435 1HG2 VAL 51 1HG2 VAL 51 -17.900 -6.698 3.205 436 2HG2 VAL 51 2HG2 VAL 51 -17.102 -7.607 4.488 437 3HG2 VAL 51 3HG2 VAL 51 -16.722 -7.949 2.799 438 H GLU 52 H GLU 52 -14.696 -4.397 0.707 439 HA GLU 52 HA GLU 52 -17.060 -4.242 -0.627 440 1HB GLU 52 2HB GLU 52 -15.093 -2.724 -0.927 441 2HB GLU 52 1HB GLU 52 -14.359 -3.950 -1.952 442 1HG GLU 52 2HG GLU 52 -16.921 -3.552 -2.989 443 2HG GLU 52 1HG GLU 52 -16.310 -1.945 -2.602 444 H LYS 53 H LYS 53 -14.336 -6.381 -1.414 445 HA LYS 53 HA LYS 53 -16.146 -7.863 -3.201 446 1HB LYS 53 2HB LYS 53 -13.843 -6.773 -3.969 447 2HB LYS 53 1HB LYS 53 -13.206 -8.281 -3.336 448 1HG LYS 53 2HG LYS 53 -13.586 -8.515 -5.689 449 2HG LYS 53 1HG LYS 53 -14.754 -9.513 -4.820 450 1HD LYS 53 2HD LYS 53 -16.094 -7.143 -5.053 451 2HD LYS 53 1HD LYS 53 -15.176 -7.191 -6.559 452 1HE LYS 53 2HE LYS 53 -16.067 -9.456 -6.988 453 2HE LYS 53 1HE LYS 53 -17.041 -9.324 -5.524 454 1HZ LYS 53 1HZ LYS 53 -18.544 -8.628 -7.057 455 2HZ LYS 53 2HZ LYS 53 -17.378 -7.998 -8.107 456 3HZ LYS 53 3HZ LYS 53 -17.825 -7.133 -6.724 457 H TYR 54 H TYR 54 -14.020 -8.068 -0.423 458 HA TYR 54 HA TYR 54 -15.237 -10.492 0.409 459 1HB TYR 54 2HB TYR 54 -13.280 -10.962 -1.433 460 2HB TYR 54 1HB TYR 54 -12.381 -11.090 0.073 461 HD1 TYR 54 1HD TYR 54 -13.265 -13.213 -2.127 462 HD2 TYR 54 2HD TYR 54 -14.614 -12.223 1.785 463 HE1 TYR 54 1HE TYR 54 -14.104 -15.505 -1.841 464 HE2 TYR 54 2HE TYR 54 -15.454 -14.514 2.082 465 HH TYR 54 HH TYR 54 -16.136 -16.410 0.772 466 H GLY 55 H GLY 55 -12.762 -8.057 0.811 467 1HA GLY 55 2HA GLY 55 -12.201 -7.012 2.815 468 2HA GLY 55 1HA GLY 55 -13.083 -8.245 3.680 469 HA PRO 56 HA PRO 56 -9.291 -9.850 5.340 470 1HB PRO 56 2HB PRO 56 -10.469 -12.449 4.409 471 2HB PRO 56 1HB PRO 56 -9.665 -12.068 5.938 472 1HG PRO 56 2HG PRO 56 -12.318 -12.177 5.808 473 2HG PRO 56 1HG PRO 56 -11.509 -10.934 6.779 474 1HD PRO 56 2HD PRO 56 -12.936 -10.680 4.197 475 2HD PRO 56 1HD PRO 56 -12.699 -9.474 5.474 476 H GLU 57 H GLU 57 -10.428 -10.798 2.148 477 HA GLU 57 HA GLU 57 -7.927 -11.874 1.279 478 1HB GLU 57 2HB GLU 57 -10.570 -11.663 0.244 479 2HB GLU 57 1HB GLU 57 -9.477 -10.962 -0.939 480 1HG GLU 57 2HG GLU 57 -9.596 -13.187 -1.559 481 2HG GLU 57 1HG GLU 57 -8.097 -13.099 -0.635 482 H ALA 58 H ALA 58 -9.601 -8.771 0.849 483 HA ALA 58 HA ALA 58 -7.849 -7.492 -0.859 484 1HB ALA 58 1HB ALA 58 -9.673 -6.543 1.297 485 2HB ALA 58 2HB ALA 58 -9.734 -6.251 -0.441 486 3HB ALA 58 3HB ALA 58 -8.557 -5.396 0.557 487 H SER 59 H SER 59 -7.713 -7.617 2.693 488 HA SER 59 HA SER 59 -5.351 -6.102 2.956 489 1HB SER 59 2HB SER 59 -5.347 -6.764 5.232 490 2HB SER 59 1HB SER 59 -7.048 -6.696 4.774 491 HG SER 59 HG SER 59 -7.129 -8.885 4.719 492 H ALA 60 H ALA 60 -5.947 -9.542 2.529 493 HA ALA 60 HA ALA 60 -3.518 -10.660 3.109 494 1HB ALA 60 1HB ALA 60 -4.741 -11.618 0.603 495 2HB ALA 60 2HB ALA 60 -5.791 -11.596 2.020 496 3HB ALA 60 3HB ALA 60 -4.279 -12.505 2.055 497 H PHE 61 H PHE 61 -4.401 -8.756 0.294 498 HA PHE 61 HA PHE 61 -2.277 -9.311 -1.399 499 1HB PHE 61 2HB PHE 61 -3.373 -7.807 -2.639 500 2HB PHE 61 1HB PHE 61 -4.362 -7.389 -1.247 501 HD1 PHE 61 1HD PHE 61 -1.093 -6.613 -2.845 502 HD2 PHE 61 2HD PHE 61 -4.283 -5.243 -0.386 503 HE1 PHE 61 1HE PHE 61 -0.117 -4.354 -2.846 504 HE2 PHE 61 2HE PHE 61 -3.313 -2.981 -0.381 505 HZ PHE 61 HZ PHE 61 -1.228 -2.534 -1.613 506 H THR 62 H THR 62 -2.466 -6.991 1.266 507 HA THR 62 HA THR 62 0.369 -6.353 0.959 508 HB THR 62 HB THR 62 -0.413 -4.925 3.129 509 HG1 THR 62 1HG THR 62 -2.708 -5.026 1.474 510 1HG2 THR 62 1HG2 THR 62 -0.236 -4.357 0.273 511 2HG2 THR 62 2HG2 THR 62 0.396 -3.465 1.656 512 3HG2 THR 62 3HG2 THR 62 -1.286 -3.259 1.168 513 H LYS 63 H LYS 63 -1.820 -8.124 2.988 514 HA LYS 63 HA LYS 63 -0.107 -8.450 5.223 515 1HB LYS 63 2HB LYS 63 -2.720 -9.385 4.378 516 2HB LYS 63 1HB LYS 63 -1.806 -10.662 5.168 517 1HG LYS 63 2HG LYS 63 -2.044 -9.737 7.180 518 2HG LYS 63 1HG LYS 63 -1.658 -8.123 6.582 519 1HD LYS 63 2HD LYS 63 -3.848 -7.848 7.238 520 2HD LYS 63 1HD LYS 63 -4.047 -8.258 5.533 521 1HE LYS 63 2HE LYS 63 -4.756 -10.424 6.012 522 2HE LYS 63 1HE LYS 63 -4.068 -10.390 7.635 523 1HZ LYS 63 1HZ LYS 63 -5.843 -8.421 7.812 524 2HZ LYS 63 2HZ LYS 63 -6.200 -10.028 8.199 525 3HZ LYS 63 3HZ LYS 63 -6.629 -9.408 6.686 526 H LYS 64 H LYS 64 -0.252 -9.937 2.116 527 HA LYS 64 HA LYS 64 1.216 -12.297 2.921 528 1HB LYS 64 2HB LYS 64 -0.019 -11.294 0.404 529 2HB LYS 64 1HB LYS 64 1.334 -12.406 0.249 530 1HG LYS 64 2HG LYS 64 0.141 -14.034 1.645 531 2HG LYS 64 1HG LYS 64 -1.223 -12.921 1.753 532 1HD LYS 64 2HD LYS 64 -2.029 -13.778 -0.134 533 2HD LYS 64 1HD LYS 64 -0.607 -13.177 -0.985 534 1HE LYS 64 2HE LYS 64 0.524 -15.331 -0.072 535 2HE LYS 64 1HE LYS 64 -1.131 -15.897 0.145 536 1HZ LYS 64 1HZ LYS 64 -0.188 -14.815 -2.441 537 2HZ LYS 64 2HZ LYS 64 -1.543 -15.783 -2.136 538 3HZ LYS 64 3HZ LYS 64 0.010 -16.447 -2.035 539 H MET 65 H MET 65 1.779 -9.188 1.443 540 HA MET 65 HA MET 65 4.337 -9.579 0.408 541 1HB MET 65 2HB MET 65 2.573 -7.413 0.792 542 2HB MET 65 1HB MET 65 4.098 -6.943 1.527 543 1HG MET 65 2HG MET 65 4.251 -6.192 -0.668 544 2HG MET 65 1HG MET 65 5.186 -7.686 -0.649 545 1HE MET 65 1HE MET 65 3.344 -5.655 -2.629 546 2HE MET 65 2HE MET 65 2.527 -6.664 -3.822 547 3HE MET 65 3HE MET 65 4.281 -6.741 -3.657 548 H VAL 66 H VAL 66 3.324 -9.613 3.660 549 HA VAL 66 HA VAL 66 6.036 -9.007 4.611 550 HB VAL 66 HB VAL 66 4.997 -8.815 6.854 551 1HG1 VAL 66 1HG1 VAL 66 4.282 -6.632 6.542 552 2HG1 VAL 66 2HG1 VAL 66 3.500 -7.002 5.004 553 3HG1 VAL 66 3HG1 VAL 66 5.260 -6.922 5.102 554 1HG2 VAL 66 1HG2 VAL 66 2.413 -9.132 5.331 555 2HG2 VAL 66 2HG2 VAL 66 2.554 -8.653 7.023 556 3HG2 VAL 66 3HG2 VAL 66 3.071 -10.260 6.516 557 H GLU 67 H GLU 67 3.436 -11.413 4.894 558 HA GLU 67 HA GLU 67 5.218 -13.163 6.404 559 1HB GLU 67 2HB GLU 67 2.323 -13.605 5.664 560 2HB GLU 67 1HB GLU 67 3.266 -14.529 6.825 561 1HG GLU 67 2HG GLU 67 3.536 -12.026 7.818 562 2HG GLU 67 1HG GLU 67 1.925 -11.940 7.111 563 H ASN 68 H ASN 68 2.875 -13.838 3.817 564 HA ASN 68 HA ASN 68 4.142 -16.178 2.944 565 1HB ASN 68 2HB ASN 68 1.753 -15.012 2.430 566 2HB ASN 68 1HB ASN 68 2.597 -14.676 0.921 567 1HD2 ASN 68 1HD2 ASN 68 0.367 -16.547 1.796 568 2HD2 ASN 68 2HD2 ASN 68 0.827 -18.073 1.132 569 H ALA 69 H ALA 69 4.681 -12.846 2.104 570 HA ALA 69 HA ALA 69 6.299 -13.510 -0.207 571 1HB ALA 69 1HB ALA 69 4.762 -11.405 0.240 572 2HB ALA 69 2HB ALA 69 6.216 -11.300 -0.757 573 3HB ALA 69 3HB ALA 69 6.259 -10.764 0.923 574 H LYS 70 H LYS 70 8.482 -12.326 -0.356 575 HA LYS 70 HA LYS 70 10.019 -13.059 2.028 576 1HB LYS 70 2HB LYS 70 10.558 -13.016 -0.879 577 2HB LYS 70 1HB LYS 70 11.905 -12.554 0.152 578 1HG LYS 70 2HG LYS 70 10.452 -14.997 0.935 579 2HG LYS 70 1HG LYS 70 11.380 -15.081 -0.565 580 1HD LYS 70 2HD LYS 70 13.282 -14.021 0.835 581 2HD LYS 70 1HD LYS 70 12.337 -14.558 2.227 582 1HE LYS 70 2HE LYS 70 12.538 -16.679 0.306 583 2HE LYS 70 1HE LYS 70 14.146 -16.058 0.679 584 1HZ LYS 70 1HZ LYS 70 12.387 -16.498 2.951 585 2HZ LYS 70 2HZ LYS 70 14.042 -16.807 2.785 586 3HZ LYS 70 3HZ LYS 70 12.912 -17.891 2.146 587 H LYS 71 H LYS 71 10.143 -10.517 -0.485 588 HA LYS 71 HA LYS 71 10.395 -8.470 1.533 589 1HB LYS 71 2HB LYS 71 12.718 -9.351 -0.133 590 2HB LYS 71 1HB LYS 71 12.555 -7.649 0.278 591 1HG LYS 71 2HG LYS 71 13.704 -8.181 2.113 592 2HG LYS 71 1HG LYS 71 12.176 -8.843 2.699 593 1HD LYS 71 2HD LYS 71 13.585 -10.632 3.025 594 2HD LYS 71 1HD LYS 71 12.959 -10.986 1.413 595 1HE LYS 71 2HE LYS 71 14.948 -10.607 0.411 596 2HE LYS 71 1HE LYS 71 15.373 -9.297 1.513 597 1HZ LYS 71 1HZ LYS 71 16.120 -10.806 3.120 598 2HZ LYS 71 2HZ LYS 71 16.741 -11.398 1.661 599 3HZ LYS 71 3HZ LYS 71 15.388 -12.131 2.363 600 H ILE 72 H ILE 72 10.723 -6.279 0.469 601 HA ILE 72 HA ILE 72 9.663 -6.153 -2.254 602 HB ILE 72 HB ILE 72 8.441 -4.627 0.049 603 1HG1 ILE 72 2HG1 ILE 72 6.441 -6.121 -1.104 604 2HG1 ILE 72 1HG1 ILE 72 7.816 -7.220 -1.156 605 1HG2 ILE 72 1HG2 ILE 72 6.707 -4.350 -1.993 606 2HG2 ILE 72 2HG2 ILE 72 8.234 -4.382 -2.868 607 3HG2 ILE 72 3HG2 ILE 72 7.970 -3.184 -1.606 608 1HD1 ILE 72 1HD1 ILE 72 6.143 -6.932 0.949 609 2HD1 ILE 72 2HD1 ILE 72 7.455 -5.843 1.401 610 3HD1 ILE 72 3HD1 ILE 72 7.794 -7.540 1.055 611 H GLU 73 H GLU 73 9.942 -4.049 -3.249 612 HA GLU 73 HA GLU 73 11.869 -2.293 -1.902 613 1HB GLU 73 2HB GLU 73 12.117 -3.325 -4.732 614 2HB GLU 73 1HB GLU 73 13.135 -2.081 -4.023 615 1HG GLU 73 2HG GLU 73 14.359 -3.556 -2.848 616 2HG GLU 73 1HG GLU 73 12.984 -4.613 -2.532 617 H VAL 74 H VAL 74 12.168 -0.209 -3.233 618 HA VAL 74 HA VAL 74 9.497 0.681 -4.088 619 HB VAL 74 HB VAL 74 11.784 2.426 -3.176 620 1HG1 VAL 74 1HG1 VAL 74 9.182 2.938 -4.313 621 2HG1 VAL 74 2HG1 VAL 74 10.502 4.057 -3.977 622 3HG1 VAL 74 3HG1 VAL 74 9.333 3.671 -2.716 623 1HG2 VAL 74 1HG2 VAL 74 9.851 0.846 -1.643 624 2HG2 VAL 74 2HG2 VAL 74 9.923 2.549 -1.186 625 3HG2 VAL 74 3HG2 VAL 74 11.385 1.562 -1.145 626 H GLU 75 H GLU 75 9.245 0.893 -6.204 627 HA GLU 75 HA GLU 75 11.481 1.963 -7.798 628 1HB GLU 75 2HB GLU 75 11.016 -0.577 -8.029 629 2HB GLU 75 1HB GLU 75 9.584 -0.081 -8.918 630 1HG GLU 75 2HG GLU 75 11.688 1.391 -10.017 631 2HG GLU 75 1HG GLU 75 12.315 -0.240 -9.790 632 H PHE 76 H PHE 76 10.471 4.019 -7.669 633 HA PHE 76 HA PHE 76 7.921 4.252 -9.122 634 1HB PHE 76 2HB PHE 76 8.517 5.243 -6.669 635 2HB PHE 76 1HB PHE 76 8.971 6.609 -7.681 636 HD1 PHE 76 1HD PHE 76 6.985 6.543 -9.804 637 HD2 PHE 76 2HD PHE 76 6.538 5.811 -5.636 638 HE1 PHE 76 1HE PHE 76 4.625 7.223 -9.943 639 HE2 PHE 76 2HE PHE 76 4.176 6.488 -5.767 640 HZ PHE 76 HZ PHE 76 3.218 7.195 -7.923 641 H ASP 77 H ASP 77 7.866 5.252 -11.042 642 HA ASP 77 HA ASP 77 10.237 5.933 -12.403 643 1HB ASP 77 2HB ASP 77 7.733 5.350 -13.209 644 2HB ASP 77 1HB ASP 77 7.685 7.103 -13.369 645 H LYS 78 H LYS 78 7.608 8.016 -11.185 646 HA LYS 78 HA LYS 78 9.253 10.376 -11.608 647 1HB LYS 78 2HB LYS 78 6.632 10.062 -11.932 648 2HB LYS 78 1HB LYS 78 6.612 10.519 -10.235 649 1HG LYS 78 2HG LYS 78 8.305 12.364 -11.460 650 2HG LYS 78 1HG LYS 78 6.953 12.160 -12.575 651 1HD LYS 78 2HD LYS 78 6.147 12.385 -9.772 652 2HD LYS 78 1HD LYS 78 6.978 13.813 -10.390 653 1HE LYS 78 2HE LYS 78 5.386 13.642 -12.387 654 2HE LYS 78 1HE LYS 78 4.451 12.534 -11.384 655 1HZ LYS 78 1HZ LYS 78 4.082 15.165 -11.407 656 2HZ LYS 78 2HZ LYS 78 5.194 15.050 -10.139 657 3HZ LYS 78 3HZ LYS 78 3.738 14.193 -10.065 658 H GLY 79 H GLY 79 7.973 8.436 -8.973 659 1HA GLY 79 2HA GLY 79 8.599 8.311 -6.766 660 2HA GLY 79 1HA GLY 79 10.005 9.277 -7.184 661 H GLN 80 H GLN 80 6.561 9.470 -6.393 662 HA GLN 80 HA GLN 80 7.046 12.189 -5.363 663 1HB GLN 80 2HB GLN 80 4.860 11.063 -6.984 664 2HB GLN 80 1HB GLN 80 4.333 12.061 -5.634 665 1HG GLN 80 2HG GLN 80 6.466 13.079 -7.443 666 2HG GLN 80 1HG GLN 80 4.788 13.108 -7.982 667 1HE2 GLN 80 1HE2 GLN 80 3.293 14.393 -6.870 668 2HE2 GLN 80 2HE2 GLN 80 3.797 15.693 -5.850 669 H ARG 81 H ARG 81 7.229 12.110 -3.229 670 HA ARG 81 HA ARG 81 5.452 10.301 -1.728 671 1HB ARG 81 2HB ARG 81 8.086 11.460 -0.804 672 2HB ARG 81 1HB ARG 81 7.116 10.251 0.026 673 1HG ARG 81 2HG ARG 81 8.689 8.914 -0.932 674 2HG ARG 81 1HG ARG 81 7.469 8.908 -2.206 675 1HD ARG 81 2HD ARG 81 9.121 9.546 -3.570 676 2HD ARG 81 1HD ARG 81 8.966 11.129 -2.811 677 HE ARG 81 HE ARG 81 10.963 10.779 -1.739 678 1HH1 ARG 81 1HH1 ARG 81 9.831 7.751 -3.058 679 2HH1 ARG 81 2HH1 ARG 81 11.306 6.910 -2.719 680 1HH2 ARG 81 1HH2 ARG 81 12.902 9.671 -1.290 681 2HH2 ARG 81 2HH2 ARG 81 13.049 7.999 -1.714 682 H THR 82 H THR 82 6.565 13.573 -2.119 683 HA THR 82 HA THR 82 5.178 14.492 0.264 684 HB THR 82 HB THR 82 5.987 16.774 -0.650 685 HG1 THR 82 1HG THR 82 6.473 16.107 -2.748 686 1HG2 THR 82 1HG2 THR 82 8.279 16.443 0.126 687 2HG2 THR 82 2HG2 THR 82 8.019 14.697 0.127 688 3HG2 THR 82 3HG2 THR 82 7.098 15.726 1.224 689 H ASP 83 H ASP 83 4.081 16.820 -0.315 690 HA ASP 83 HA ASP 83 2.394 17.964 -1.357 691 1HB ASP 83 2HB ASP 83 2.110 15.754 -3.386 692 2HB ASP 83 1HB ASP 83 1.647 17.444 -3.540 693 H LYS 84 H LYS 84 1.780 14.453 -1.593 694 HA LYS 84 HA LYS 84 -0.968 14.705 -0.912 695 1HB LYS 84 2HB LYS 84 0.696 12.209 -0.599 696 2HB LYS 84 1HB LYS 84 -1.032 12.325 -0.892 697 1HG LYS 84 2HG LYS 84 0.636 13.574 -2.952 698 2HG LYS 84 1HG LYS 84 0.839 11.829 -2.789 699 1HD LYS 84 2HD LYS 84 -1.082 11.473 -3.851 700 2HD LYS 84 1HD LYS 84 -1.949 12.468 -2.682 701 1HE LYS 84 2HE LYS 84 -0.548 13.414 -5.179 702 2HE LYS 84 1HE LYS 84 -2.288 13.345 -4.907 703 1HZ LYS 84 1HZ LYS 84 -0.307 15.213 -3.799 704 2HZ LYS 84 2HZ LYS 84 -1.710 14.880 -2.912 705 3HZ LYS 84 3HZ LYS 84 -1.827 15.533 -4.468 706 H TYR 85 H TYR 85 1.571 13.012 0.929 707 HA TYR 85 HA TYR 85 0.792 14.363 3.368 708 1HB TYR 85 2HB TYR 85 -0.832 12.488 3.159 709 2HB TYR 85 1HB TYR 85 0.518 11.359 3.166 710 HD1 TYR 85 1HD TYR 85 1.308 10.513 5.187 711 HD2 TYR 85 2HD TYR 85 -1.053 14.053 5.208 712 HE1 TYR 85 1HE TYR 85 1.246 10.450 7.646 713 HE2 TYR 85 2HE TYR 85 -1.121 14.000 7.665 714 HH TYR 85 HH TYR 85 0.912 12.075 9.522 715 H GLY 86 H GLY 86 3.192 13.493 1.493 716 1HA GLY 86 2HA GLY 86 5.462 13.392 1.892 717 2HA GLY 86 1HA GLY 86 5.119 13.480 3.614 718 H ARG 87 H ARG 87 3.568 11.055 1.697 719 HA ARG 87 HA ARG 87 5.322 8.967 1.622 720 1HB ARG 87 2HB ARG 87 4.654 7.676 3.716 721 2HB ARG 87 1HB ARG 87 5.777 9.007 3.939 722 1HG ARG 87 2HG ARG 87 3.914 10.432 4.675 723 2HG ARG 87 1HG ARG 87 2.819 9.060 4.495 724 1HD ARG 87 2HD ARG 87 3.352 8.342 6.527 725 2HD ARG 87 1HD ARG 87 5.050 8.247 6.069 726 HE ARG 87 HE ARG 87 4.596 10.898 6.600 727 1HH1 ARG 87 1HH1 ARG 87 4.272 7.909 8.371 728 2HH1 ARG 87 2HH1 ARG 87 4.577 8.641 9.910 729 1HH2 ARG 87 1HH2 ARG 87 4.999 11.864 8.624 730 2HH2 ARG 87 2HH2 ARG 87 4.990 10.886 10.054 731 H GLY 88 H GLY 88 2.095 10.106 2.150 732 1HA GLY 88 2HA GLY 88 0.490 7.919 2.027 733 2HA GLY 88 1HA GLY 88 0.117 9.419 1.195 734 H LEU 89 H LEU 89 2.235 9.335 -0.715 735 HA LEU 89 HA LEU 89 1.194 7.181 -2.419 736 1HB LEU 89 2HB LEU 89 2.067 9.938 -2.880 737 2HB LEU 89 1HB LEU 89 2.699 8.800 -4.055 738 HG LEU 89 HG LEU 89 0.576 9.900 -4.747 739 1HD1 LEU 89 1HD1 LEU 89 0.965 7.953 -5.919 740 2HD1 LEU 89 2HD1 LEU 89 -0.616 7.634 -5.203 741 3HD1 LEU 89 3HD1 LEU 89 0.836 6.937 -4.483 742 1HD2 LEU 89 1HD2 LEU 89 -1.458 9.499 -3.671 743 2HD2 LEU 89 2HD2 LEU 89 -0.336 9.828 -2.351 744 3HD2 LEU 89 3HD2 LEU 89 -0.800 8.168 -2.720 745 H ALA 90 H ALA 90 2.401 5.407 -2.370 746 HA ALA 90 HA ALA 90 5.264 5.646 -2.888 747 1HB ALA 90 1HB ALA 90 5.660 3.844 -1.123 748 2HB ALA 90 2HB ALA 90 4.075 4.285 -0.491 749 3HB ALA 90 3HB ALA 90 5.365 5.486 -0.551 750 H TYR 91 H TYR 91 6.101 3.996 -4.098 751 HA TYR 91 HA TYR 91 4.169 1.982 -5.025 752 1HB TYR 91 2HB TYR 91 6.093 3.645 -6.385 753 2HB TYR 91 1HB TYR 91 6.444 1.949 -6.695 754 HD1 TYR 91 1HD TYR 91 5.065 4.513 -8.268 755 HD2 TYR 91 2HD TYR 91 3.838 0.703 -6.828 756 HE1 TYR 91 1HE TYR 91 3.277 4.459 -9.956 757 HE2 TYR 91 2HE TYR 91 2.048 0.637 -8.512 758 HH TYR 91 HH TYR 91 1.454 1.613 -10.609 759 H ILE 92 H ILE 92 4.463 -0.085 -4.500 760 HA ILE 92 HA ILE 92 7.142 -0.933 -3.609 761 HB ILE 92 HB ILE 92 5.921 -2.542 -2.076 762 1HG1 ILE 92 2HG1 ILE 92 3.640 -0.602 -2.495 763 2HG1 ILE 92 1HG1 ILE 92 3.694 -2.222 -3.181 764 1HG2 ILE 92 1HG2 ILE 92 7.068 -0.797 -1.036 765 2HG2 ILE 92 2HG2 ILE 92 5.434 -0.675 -0.387 766 3HG2 ILE 92 3HG2 ILE 92 5.960 0.426 -1.661 767 1HD1 ILE 92 1HD1 ILE 92 4.178 -2.301 -0.348 768 2HD1 ILE 92 2HD1 ILE 92 2.935 -3.109 -1.304 769 3HD1 ILE 92 3HD1 ILE 92 2.667 -1.470 -0.713 770 H TYR 93 H TYR 93 7.832 -2.958 -4.199 771 HA TYR 93 HA TYR 93 6.029 -4.651 -5.766 772 1HB TYR 93 2HB TYR 93 8.761 -3.762 -6.718 773 2HB TYR 93 1HB TYR 93 7.737 -4.947 -7.519 774 HD1 TYR 93 1HD TYR 93 8.029 -1.374 -6.610 775 HD2 TYR 93 2HD TYR 93 5.971 -4.268 -8.954 776 HE1 TYR 93 1HE TYR 93 6.953 0.432 -7.884 777 HE2 TYR 93 2HE TYR 93 4.889 -2.468 -10.235 778 HH TYR 93 HH TYR 93 5.902 0.528 -10.414 779 H ALA 94 H ALA 94 6.032 -6.466 -4.592 780 HA ALA 94 HA ALA 94 8.325 -7.308 -3.081 781 1HB ALA 94 1HB ALA 94 5.805 -7.607 -2.531 782 2HB ALA 94 2HB ALA 94 6.946 -8.881 -2.103 783 3HB ALA 94 3HB ALA 94 5.939 -9.046 -3.542 784 H ASP 95 H ASP 95 10.004 -8.107 -4.135 785 HA ASP 95 HA ASP 95 11.281 -9.233 -5.649 786 1HB ASP 95 2HB ASP 95 10.905 -11.632 -5.672 787 2HB ASP 95 1HB ASP 95 10.626 -11.005 -4.051 788 H GLY 96 H GLY 96 9.651 -7.568 -7.017 789 1HA GLY 96 2HA GLY 96 8.984 -7.189 -9.185 790 2HA GLY 96 1HA GLY 96 9.516 -8.819 -9.569 791 H LYS 97 H LYS 97 7.206 -8.361 -7.024 792 HA LYS 97 HA LYS 97 5.156 -9.542 -8.761 793 1HB LYS 97 2HB LYS 97 5.350 -9.595 -5.748 794 2HB LYS 97 1HB LYS 97 4.095 -10.365 -6.706 795 1HG LYS 97 2HG LYS 97 5.713 -11.856 -7.702 796 2HG LYS 97 1HG LYS 97 7.024 -11.045 -6.844 797 1HD LYS 97 2HD LYS 97 6.459 -13.075 -5.677 798 2HD LYS 97 1HD LYS 97 5.955 -11.694 -4.702 799 1HE LYS 97 2HE LYS 97 3.771 -12.210 -4.875 800 2HE LYS 97 1HE LYS 97 3.918 -12.705 -6.560 801 1HZ LYS 97 1HZ LYS 97 3.501 -14.393 -4.530 802 2HZ LYS 97 2HZ LYS 97 5.187 -14.469 -4.645 803 3HZ LYS 97 3HZ LYS 97 4.231 -14.837 -5.991 804 H MET 98 H MET 98 3.575 -8.250 -9.402 805 HA MET 98 HA MET 98 3.037 -5.800 -7.888 806 1HB MET 98 2HB MET 98 2.099 -6.602 -10.649 807 2HB MET 98 1HB MET 98 1.866 -5.031 -9.892 808 1HG MET 98 2HG MET 98 4.233 -4.613 -9.915 809 2HG MET 98 1HG MET 98 4.549 -6.236 -10.526 810 1HE MET 98 1HE MET 98 5.774 -5.318 -13.279 811 2HE MET 98 2HE MET 98 4.433 -6.202 -14.006 812 3HE MET 98 3HE MET 98 5.092 -6.719 -12.453 813 H VAL 99 H VAL 99 1.865 -6.829 -6.196 814 HA VAL 99 HA VAL 99 -0.535 -8.306 -6.798 815 HB VAL 99 HB VAL 99 0.306 -7.193 -4.121 816 1HG1 VAL 99 1HG1 VAL 99 -1.333 -9.648 -4.683 817 2HG1 VAL 99 2HG1 VAL 99 -2.060 -8.051 -4.503 818 3HG1 VAL 99 3HG1 VAL 99 -1.158 -8.766 -3.167 819 1HG2 VAL 99 1HG2 VAL 99 2.155 -8.476 -4.730 820 2HG2 VAL 99 2HG2 VAL 99 1.168 -9.673 -5.569 821 3HG2 VAL 99 3HG2 VAL 99 1.159 -9.600 -3.807 822 H ASN 100 H ASN 100 0.312 -5.008 -6.082 823 HA ASN 100 HA ASN 100 -2.116 -4.011 -5.163 824 1HB ASN 100 2HB ASN 100 0.228 -2.871 -5.494 825 2HB ASN 100 1HB ASN 100 -0.446 -2.393 -7.050 826 1HD2 ASN 100 1HD2 ASN 100 -0.210 -0.221 -6.267 827 2HD2 ASN 100 2HD2 ASN 100 -1.418 0.455 -5.234 828 H GLU 101 H GLU 101 -0.990 -4.524 -8.477 829 HA GLU 101 HA GLU 101 -3.468 -3.509 -9.587 830 1HB GLU 101 2HB GLU 101 -0.829 -4.333 -10.640 831 2HB GLU 101 1HB GLU 101 -2.199 -4.586 -11.713 832 1HG GLU 101 2HG GLU 101 -2.799 -2.160 -11.273 833 2HG GLU 101 1HG GLU 101 -1.197 -2.010 -10.551 834 H ALA 102 H ALA 102 -2.204 -6.521 -8.552 835 HA ALA 102 HA ALA 102 -3.994 -8.083 -10.226 836 1HB ALA 102 1HB ALA 102 -2.940 -9.926 -8.609 837 2HB ALA 102 2HB ALA 102 -1.711 -8.671 -8.444 838 3HB ALA 102 3HB ALA 102 -2.105 -9.314 -10.037 839 H LEU 103 H LEU 103 -3.890 -6.794 -7.000 840 HA LEU 103 HA LEU 103 -6.253 -8.399 -6.291 841 1HB LEU 103 2HB LEU 103 -4.381 -8.717 -4.780 842 2HB LEU 103 1HB LEU 103 -4.266 -6.989 -4.515 843 HG LEU 103 HG LEU 103 -5.373 -8.414 -2.695 844 1HD1 LEU 103 1HD1 LEU 103 -7.246 -6.266 -3.498 845 2HD1 LEU 103 2HD1 LEU 103 -5.554 -5.825 -3.263 846 3HD1 LEU 103 3HD1 LEU 103 -6.463 -6.570 -1.948 847 1HD2 LEU 103 1HD2 LEU 103 -7.831 -8.159 -4.386 848 2HD2 LEU 103 2HD2 LEU 103 -7.561 -9.147 -2.951 849 3HD2 LEU 103 3HD2 LEU 103 -6.809 -9.593 -4.483 850 H VAL 104 H VAL 104 -4.959 -5.198 -5.374 851 HA VAL 104 HA VAL 104 -7.354 -4.052 -4.623 852 HB VAL 104 HB VAL 104 -5.149 -2.512 -5.987 853 1HG1 VAL 104 1HG1 VAL 104 -7.531 -1.617 -5.101 854 2HG1 VAL 104 2HG1 VAL 104 -6.059 -0.645 -5.113 855 3HG1 VAL 104 3HG1 VAL 104 -6.569 -1.456 -3.632 856 1HG2 VAL 104 1HG2 VAL 104 -3.955 -3.744 -4.411 857 2HG2 VAL 104 2HG2 VAL 104 -5.274 -3.710 -3.241 858 3HG2 VAL 104 3HG2 VAL 104 -4.335 -2.249 -3.554 859 H ARG 105 H ARG 105 -5.961 -4.296 -7.853 860 HA ARG 105 HA ARG 105 -7.846 -2.587 -9.114 861 1HB ARG 105 2HB ARG 105 -5.531 -4.025 -9.864 862 2HB ARG 105 1HB ARG 105 -6.820 -4.545 -10.941 863 1HG ARG 105 2HG ARG 105 -6.425 -1.633 -10.454 864 2HG ARG 105 1HG ARG 105 -5.322 -2.488 -11.533 865 1HD ARG 105 2HD ARG 105 -7.147 -3.188 -12.932 866 2HD ARG 105 1HD ARG 105 -8.324 -2.527 -11.797 867 HE ARG 105 HE ARG 105 -6.517 -0.531 -12.722 868 1HH1 ARG 105 1HH1 ARG 105 -9.358 -2.349 -13.619 869 2HH1 ARG 105 2HH1 ARG 105 -9.945 -1.134 -14.705 870 1HH2 ARG 105 1HH2 ARG 105 -7.289 1.068 -14.149 871 2HH2 ARG 105 2HH2 ARG 105 -8.771 0.806 -15.005 872 H GLN 106 H GLN 106 -8.085 -5.774 -7.924 873 HA GLN 106 HA GLN 106 -10.152 -6.601 -9.772 874 1HB GLN 106 2HB GLN 106 -8.908 -7.860 -7.340 875 2HB GLN 106 1HB GLN 106 -10.322 -8.557 -8.116 876 1HG GLN 106 2HG GLN 106 -8.093 -7.929 -9.918 877 2HG GLN 106 1HG GLN 106 -7.771 -9.187 -8.726 878 1HE2 GLN 106 1HE2 GLN 106 -10.825 -8.403 -10.299 879 2HE2 GLN 106 2HE2 GLN 106 -11.008 -9.919 -11.106 880 H GLY 107 H GLY 107 -10.228 -4.370 -7.451 881 1HA GLY 107 2HA GLY 107 -12.247 -3.344 -6.745 882 2HA GLY 107 1HA GLY 107 -13.055 -4.898 -6.888 883 H LEU 108 H LEU 108 -9.979 -4.553 -5.279 884 HA LEU 108 HA LEU 108 -9.328 -4.817 -3.120 885 1HB LEU 108 2HB LEU 108 -11.886 -3.386 -2.923 886 2HB LEU 108 1HB LEU 108 -11.437 -4.264 -1.473 887 HG LEU 108 HG LEU 108 -9.623 -2.279 -2.838 888 1HD1 LEU 108 1HD1 LEU 108 -11.672 -1.916 -0.680 889 2HD1 LEU 108 2HD1 LEU 108 -11.417 -0.959 -2.140 890 3HD1 LEU 108 3HD1 LEU 108 -10.265 -0.861 -0.808 891 1HD2 LEU 108 1HD2 LEU 108 -9.545 -3.414 -0.048 892 2HD2 LEU 108 2HD2 LEU 108 -8.348 -2.368 -0.811 893 3HD2 LEU 108 3HD2 LEU 108 -8.577 -4.017 -1.393 894 H ALA 109 H ALA 109 -8.960 -6.879 -2.705 895 HA ALA 109 HA ALA 109 -9.232 -8.896 -1.672 896 1HB ALA 109 1HB ALA 109 -11.263 -9.516 -0.565 897 2HB ALA 109 2HB ALA 109 -12.173 -8.281 -1.429 898 3HB ALA 109 3HB ALA 109 -10.954 -7.811 -0.248 899 H LYS 110 H LYS 110 -12.349 -9.792 -2.499 900 HA LYS 110 HA LYS 110 -13.296 -10.949 -4.215 901 1HB LYS 110 2HB LYS 110 -12.731 -10.473 -6.354 902 2HB LYS 110 1HB LYS 110 -11.736 -9.237 -5.603 903 1HG LYS 110 2HG LYS 110 -10.115 -10.109 -6.875 904 2HG LYS 110 1HG LYS 110 -10.017 -11.335 -5.613 905 1HD LYS 110 2HD LYS 110 -12.099 -12.032 -7.450 906 2HD LYS 110 1HD LYS 110 -10.624 -11.685 -8.351 907 1HE LYS 110 2HE LYS 110 -11.084 -13.748 -6.221 908 2HE LYS 110 1HE LYS 110 -10.507 -13.975 -7.870 909 1HZ LYS 110 1HZ LYS 110 -8.602 -12.399 -6.907 910 2HZ LYS 110 2HZ LYS 110 -8.531 -14.088 -6.829 911 3HZ LYS 110 3HZ LYS 110 -9.044 -13.201 -5.483 Start of MODEL 6 1 1H ALA 1 1HT ALA 1 17.870 7.883 -29.728 2 2H ALA 1 2HT ALA 1 17.758 6.729 -28.463 3 3H ALA 1 3HT ALA 1 18.527 8.238 -28.185 4 HA ALA 1 HA ALA 1 16.593 9.397 -28.204 5 1HB ALA 1 1HB ALA 1 14.705 8.865 -29.358 6 2HB ALA 1 2HB ALA 1 14.884 7.134 -29.072 7 3HB ALA 1 3HB ALA 1 15.873 7.932 -30.296 8 H THR 2 H THR 2 17.950 7.613 -26.352 9 HA THR 2 HA THR 2 15.715 6.612 -24.733 10 HB THR 2 HB THR 2 17.699 5.612 -23.378 11 HG1 THR 2 1HG THR 2 19.540 5.274 -24.670 12 1HG2 THR 2 1HG2 THR 2 16.756 4.669 -26.044 13 2HG2 THR 2 2HG2 THR 2 16.432 4.012 -24.441 14 3HG2 THR 2 3HG2 THR 2 18.018 3.789 -25.182 15 H SER 3 H SER 3 14.946 8.322 -23.606 16 HA SER 3 HA SER 3 16.491 10.436 -22.582 17 1HB SER 3 2HB SER 3 14.442 10.812 -21.095 18 2HB SER 3 1HB SER 3 14.167 10.831 -22.837 19 HG SER 3 HG SER 3 13.685 8.668 -21.064 20 H THR 4 H THR 4 16.837 10.963 -20.298 21 HA THR 4 HA THR 4 17.837 8.632 -18.866 22 HB THR 4 HB THR 4 18.772 10.479 -17.325 23 HG1 THR 4 1HG THR 4 18.912 12.511 -18.342 24 1HG2 THR 4 1HG2 THR 4 20.311 9.399 -18.747 25 2HG2 THR 4 2HG2 THR 4 20.547 11.132 -18.976 26 3HG2 THR 4 3HG2 THR 4 19.657 10.196 -20.178 27 H LYS 5 H LYS 5 16.587 7.660 -17.427 28 HA LYS 5 HA LYS 5 14.574 9.259 -15.993 29 1HB LYS 5 2HB LYS 5 14.573 6.516 -17.101 30 2HB LYS 5 1HB LYS 5 13.799 6.705 -15.533 31 1HG LYS 5 2HG LYS 5 12.766 8.806 -16.947 32 2HG LYS 5 1HG LYS 5 12.914 7.552 -18.179 33 1HD LYS 5 2HD LYS 5 11.811 6.627 -15.622 34 2HD LYS 5 1HD LYS 5 10.813 7.812 -16.466 35 1HE LYS 5 2HE LYS 5 10.226 5.509 -17.080 36 2HE LYS 5 1HE LYS 5 10.817 6.433 -18.461 37 1HZ LYS 5 1HZ LYS 5 12.819 4.932 -16.985 38 2HZ LYS 5 2HZ LYS 5 12.640 5.148 -18.652 39 3HZ LYS 5 3HZ LYS 5 11.692 4.004 -17.841 40 H LYS 6 H LYS 6 14.533 9.281 -13.800 41 HA LYS 6 HA LYS 6 16.843 8.136 -12.443 42 1HB LYS 6 2HB LYS 6 14.914 10.323 -11.877 43 2HB LYS 6 1HB LYS 6 15.608 9.493 -10.491 44 1HG LYS 6 2HG LYS 6 17.844 10.033 -11.252 45 2HG LYS 6 1HG LYS 6 17.185 10.801 -12.698 46 1HD LYS 6 2HD LYS 6 15.824 12.146 -10.814 47 2HD LYS 6 1HD LYS 6 17.291 11.772 -9.907 48 1HE LYS 6 2HE LYS 6 17.338 13.004 -12.652 49 2HE LYS 6 1HE LYS 6 17.276 13.965 -11.175 50 1HZ LYS 6 1HZ LYS 6 19.314 12.360 -10.618 51 2HZ LYS 6 2HZ LYS 6 19.502 13.856 -11.385 52 3HZ LYS 6 3HZ LYS 6 19.474 12.434 -12.301 53 H LEU 7 H LEU 7 16.623 6.114 -11.744 54 HA LEU 7 HA LEU 7 14.140 5.398 -10.331 55 1HB LEU 7 2HB LEU 7 15.602 3.957 -12.478 56 2HB LEU 7 1HB LEU 7 14.925 2.989 -11.183 57 HG LEU 7 HG LEU 7 12.934 4.840 -12.095 58 1HD1 LEU 7 1HD1 LEU 7 12.664 3.880 -14.388 59 2HD1 LEU 7 2HD1 LEU 7 14.294 3.222 -14.240 60 3HD1 LEU 7 3HD1 LEU 7 14.039 4.967 -14.199 61 1HD2 LEU 7 1HD2 LEU 7 11.610 3.037 -11.866 62 2HD2 LEU 7 2HD2 LEU 7 13.022 2.332 -11.081 63 3HD2 LEU 7 3HD2 LEU 7 12.696 1.991 -12.780 64 H HIS 8 H HIS 8 14.397 4.580 -8.344 65 HA HIS 8 HA HIS 8 17.115 3.784 -7.526 66 1HB HIS 8 2HB HIS 8 15.177 5.638 -6.300 67 2HB HIS 8 1HB HIS 8 15.926 4.508 -5.178 68 HD1 HIS 8 1HD HIS 8 17.384 6.226 -4.004 69 HD2 HIS 8 2HD HIS 8 17.968 6.110 -8.117 70 HE1 HIS 8 1HE HIS 8 19.435 7.617 -4.431 71 HE2 HIS 8 2HE HIS 8 19.820 7.461 -6.916 72 H LYS 9 H LYS 9 17.160 1.648 -7.309 73 HA LYS 9 HA LYS 9 14.785 0.259 -6.293 74 1HB LYS 9 2HB LYS 9 16.974 -0.444 -8.128 75 2HB LYS 9 1HB LYS 9 16.538 -1.719 -6.999 76 1HG LYS 9 2HG LYS 9 14.114 -1.229 -7.765 77 2HG LYS 9 1HG LYS 9 14.892 -0.450 -9.143 78 1HD LYS 9 2HD LYS 9 16.262 -2.761 -9.094 79 2HD LYS 9 1HD LYS 9 14.728 -3.311 -8.416 80 1HE LYS 9 2HE LYS 9 14.495 -1.584 -10.783 81 2HE LYS 9 1HE LYS 9 15.272 -3.140 -11.072 82 1HZ LYS 9 1HZ LYS 9 13.083 -3.668 -11.372 83 2HZ LYS 9 2HZ LYS 9 12.526 -2.567 -10.215 84 3HZ LYS 9 3HZ LYS 9 13.242 -4.018 -9.724 85 H GLU 10 H GLU 10 14.789 0.130 -4.140 86 HA GLU 10 HA GLU 10 17.159 -0.999 -2.835 87 1HB GLU 10 2HB GLU 10 16.132 1.681 -2.463 88 2HB GLU 10 1HB GLU 10 16.063 0.777 -0.958 89 1HG GLU 10 2HG GLU 10 18.532 0.134 -1.656 90 2HG GLU 10 1HG GLU 10 18.407 1.652 -2.545 91 HA PRO 11 HA PRO 11 14.311 -3.694 -0.832 92 1HB PRO 11 2HB PRO 11 15.464 -3.945 1.642 93 2HB PRO 11 1HB PRO 11 16.043 -4.779 0.196 94 1HG PRO 11 2HG PRO 11 17.060 -2.272 1.473 95 2HG PRO 11 1HG PRO 11 17.972 -3.628 0.785 96 1HD PRO 11 2HD PRO 11 17.633 -1.322 -0.558 97 2HD PRO 11 1HD PRO 11 17.673 -2.891 -1.389 98 H ALA 12 H ALA 12 12.348 -3.106 -0.199 99 HA ALA 12 HA ALA 12 12.033 -1.501 2.216 100 1HB ALA 12 1HB ALA 12 10.169 -0.229 0.905 101 2HB ALA 12 2HB ALA 12 11.124 -0.681 -0.507 102 3HB ALA 12 3HB ALA 12 11.851 0.288 0.776 103 H THR 13 H THR 13 10.911 -2.879 3.443 104 HA THR 13 HA THR 13 8.545 -4.174 2.251 105 HB THR 13 HB THR 13 10.182 -5.868 2.768 106 HG1 THR 13 1HG THR 13 8.606 -7.004 3.507 107 1HG2 THR 13 1HG2 THR 13 11.696 -5.339 4.326 108 2HG2 THR 13 2HG2 THR 13 10.531 -6.064 5.435 109 3HG2 THR 13 3HG2 THR 13 10.574 -4.315 5.223 110 H LEU 14 H LEU 14 6.767 -4.581 3.753 111 HA LEU 14 HA LEU 14 6.554 -2.405 5.713 112 1HB LEU 14 2HB LEU 14 4.040 -3.167 5.556 113 2HB LEU 14 1HB LEU 14 4.744 -2.102 4.357 114 HG LEU 14 HG LEU 14 5.067 -4.011 2.843 115 1HD1 LEU 14 1HD1 LEU 14 5.331 -5.943 4.009 116 2HD1 LEU 14 2HD1 LEU 14 3.611 -6.079 3.637 117 3HD1 LEU 14 3HD1 LEU 14 4.127 -5.506 5.223 118 1HD2 LEU 14 1HD2 LEU 14 2.456 -4.601 2.818 119 2HD2 LEU 14 2HD2 LEU 14 3.101 -3.064 2.243 120 3HD2 LEU 14 3HD2 LEU 14 2.421 -3.183 3.865 121 H ILE 15 H ILE 15 5.990 -2.768 7.821 122 HA ILE 15 HA ILE 15 6.559 -5.383 8.864 123 HB ILE 15 HB ILE 15 5.500 -3.017 10.404 124 1HG1 ILE 15 2HG1 ILE 15 8.341 -3.356 10.652 125 2HG1 ILE 15 1HG1 ILE 15 7.926 -3.181 8.950 126 1HG2 ILE 15 1HG2 ILE 15 6.826 -4.102 12.242 127 2HG2 ILE 15 2HG2 ILE 15 7.028 -5.492 11.176 128 3HG2 ILE 15 3HG2 ILE 15 5.414 -5.007 11.696 129 1HD1 ILE 15 1HD1 ILE 15 6.914 -1.075 9.330 130 2HD1 ILE 15 2HD1 ILE 15 8.473 -1.061 10.153 131 3HD1 ILE 15 3HD1 ILE 15 6.988 -1.283 11.080 132 H LYS 16 H LYS 16 3.730 -3.227 9.185 133 HA LYS 16 HA LYS 16 2.035 -5.631 9.312 134 1HB LYS 16 2HB LYS 16 2.432 -4.356 11.529 135 2HB LYS 16 1HB LYS 16 1.383 -3.127 10.840 136 1HG LYS 16 2HG LYS 16 -0.387 -4.262 11.517 137 2HG LYS 16 1HG LYS 16 0.096 -5.621 10.499 138 1HD LYS 16 2HD LYS 16 0.160 -6.709 12.482 139 2HD LYS 16 1HD LYS 16 1.767 -5.985 12.575 140 1HE LYS 16 2HE LYS 16 -0.577 -4.451 13.593 141 2HE LYS 16 1HE LYS 16 0.071 -5.768 14.569 142 1HZ LYS 16 1HZ LYS 16 2.306 -4.474 13.946 143 2HZ LYS 16 2HZ LYS 16 1.400 -4.141 15.334 144 3HZ LYS 16 3HZ LYS 16 1.222 -3.174 13.958 145 H ALA 17 H ALA 17 0.520 -5.676 7.795 146 HA ALA 17 HA ALA 17 -0.266 -3.133 6.528 147 1HB ALA 17 1HB ALA 17 -0.978 -4.870 4.654 148 2HB ALA 17 2HB ALA 17 0.290 -5.829 5.418 149 3HB ALA 17 3HB ALA 17 0.663 -4.233 4.764 150 H ILE 18 H ILE 18 -2.197 -2.503 7.232 151 HA ILE 18 HA ILE 18 -4.183 -4.498 8.014 152 HB ILE 18 HB ILE 18 -4.390 -1.498 8.270 153 1HG1 ILE 18 2HG1 ILE 18 -2.431 -2.256 9.501 154 2HG1 ILE 18 1HG1 ILE 18 -3.716 -1.839 10.630 155 1HG2 ILE 18 1HG2 ILE 18 -6.529 -2.496 8.440 156 2HG2 ILE 18 2HG2 ILE 18 -6.009 -2.157 10.090 157 3HG2 ILE 18 3HG2 ILE 18 -5.920 -3.801 9.456 158 1HD1 ILE 18 1HD1 ILE 18 -4.217 -4.150 11.002 159 2HD1 ILE 18 2HD1 ILE 18 -2.484 -3.900 11.220 160 3HD1 ILE 18 3HD1 ILE 18 -3.088 -4.641 9.738 161 H ASP 19 H ASP 19 -3.928 -1.637 5.914 162 HA ASP 19 HA ASP 19 -4.898 -1.174 3.899 163 1HB ASP 19 2HB ASP 19 -6.390 -3.791 4.037 164 2HB ASP 19 1HB ASP 19 -5.977 -2.849 2.609 165 H GLY 20 H GLY 20 -7.224 -2.910 5.986 166 1HA GLY 20 2HA GLY 20 -9.552 -1.671 5.246 167 2HA GLY 20 1HA GLY 20 -9.223 -2.220 6.882 168 H ASP 21 H ASP 21 -6.932 -0.266 7.061 169 HA ASP 21 HA ASP 21 -8.468 2.235 7.202 170 1HB ASP 21 2HB ASP 21 -6.853 0.952 9.399 171 2HB ASP 21 1HB ASP 21 -7.220 2.674 9.395 172 H THR 22 H THR 22 -5.194 1.449 8.307 173 HA THR 22 HA THR 22 -4.069 2.976 6.080 174 HB THR 22 HB THR 22 -3.126 3.516 8.882 175 HG1 THR 22 1HG THR 22 -5.212 4.824 7.484 176 1HG2 THR 22 1HG2 THR 22 -1.586 4.520 7.564 177 2HG2 THR 22 2HG2 THR 22 -2.783 5.813 7.618 178 3HG2 THR 22 3HG2 THR 22 -2.709 4.739 6.221 179 H VAL 23 H VAL 23 -1.742 2.675 5.836 180 HA VAL 23 HA VAL 23 -0.721 0.262 7.172 181 HB VAL 23 HB VAL 23 -0.197 0.763 4.255 182 1HG1 VAL 23 1HG1 VAL 23 0.449 -1.296 6.231 183 2HG1 VAL 23 2HG1 VAL 23 1.259 -0.875 4.722 184 3HG1 VAL 23 3HG1 VAL 23 -0.153 -1.930 4.700 185 1HG2 VAL 23 1HG2 VAL 23 -2.660 -0.219 5.494 186 2HG2 VAL 23 2HG2 VAL 23 -1.992 -1.299 4.270 187 3HG2 VAL 23 3HG2 VAL 23 -2.370 0.375 3.859 188 H LYS 24 H LYS 24 1.590 0.063 7.198 189 HA LYS 24 HA LYS 24 3.047 2.549 6.614 190 1HB LYS 24 2HB LYS 24 4.254 2.372 8.725 191 2HB LYS 24 1HB LYS 24 2.526 2.508 9.011 192 1HG LYS 24 2HG LYS 24 2.531 0.630 10.178 193 2HG LYS 24 1HG LYS 24 3.225 -0.254 8.819 194 1HD LYS 24 2HD LYS 24 4.903 -0.574 10.320 195 2HD LYS 24 1HD LYS 24 5.431 0.979 9.671 196 1HE LYS 24 2HE LYS 24 4.050 2.032 11.541 197 2HE LYS 24 1HE LYS 24 3.988 0.418 12.247 198 1HZ LYS 24 1HZ LYS 24 5.816 1.888 13.073 199 2HZ LYS 24 2HZ LYS 24 6.529 1.776 11.544 200 3HZ LYS 24 3HZ LYS 24 6.324 0.385 12.486 201 H LEU 25 H LEU 25 4.989 2.278 5.675 202 HA LEU 25 HA LEU 25 5.923 -0.485 5.303 203 1HB LEU 25 2HB LEU 25 5.921 1.935 3.591 204 2HB LEU 25 1HB LEU 25 7.308 0.872 3.449 205 HG LEU 25 HG LEU 25 4.623 -0.389 3.303 206 1HD1 LEU 25 1HD1 LEU 25 4.883 1.846 1.851 207 2HD1 LEU 25 2HD1 LEU 25 3.999 0.428 1.290 208 3HD1 LEU 25 3HD1 LEU 25 5.659 0.699 0.760 209 1HD2 LEU 25 1HD2 LEU 25 6.064 -1.431 1.313 210 2HD2 LEU 25 2HD2 LEU 25 6.191 -1.994 2.980 211 3HD2 LEU 25 3HD2 LEU 25 7.380 -0.861 2.339 212 H MET 26 H MET 26 8.215 -0.890 5.301 213 HA MET 26 HA MET 26 9.628 0.861 7.188 214 1HB MET 26 2HB MET 26 9.242 -1.664 7.605 215 2HB MET 26 1HB MET 26 10.510 -1.906 6.411 216 1HG MET 26 2HG MET 26 12.043 -0.578 7.783 217 2HG MET 26 1HG MET 26 10.772 -0.369 8.984 218 1HE MET 26 1HE MET 26 12.229 -2.875 6.720 219 2HE MET 26 2HE MET 26 11.556 -4.347 7.421 220 3HE MET 26 3HE MET 26 13.219 -3.881 7.778 221 H TYR 27 H TYR 27 10.671 2.377 6.015 222 HA TYR 27 HA TYR 27 12.391 1.445 3.811 223 1HB TYR 27 2HB TYR 27 10.606 3.019 3.123 224 2HB TYR 27 1HB TYR 27 11.253 4.215 4.243 225 HD1 TYR 27 1HD TYR 27 13.493 5.215 3.815 226 HD2 TYR 27 2HD TYR 27 11.592 2.668 0.986 227 HE1 TYR 27 1HE TYR 27 15.010 6.038 2.065 228 HE2 TYR 27 2HE TYR 27 13.105 3.484 -0.773 229 HH TYR 27 HH TYR 27 15.258 4.538 -1.008 230 H LYS 28 H LYS 28 14.243 1.004 4.951 231 HA LYS 28 HA LYS 28 16.196 1.383 6.058 232 1HB LYS 28 2HB LYS 28 16.098 3.227 4.169 233 2HB LYS 28 1HB LYS 28 15.972 4.315 5.543 234 1HG LYS 28 2HG LYS 28 18.055 3.180 6.444 235 2HG LYS 28 1HG LYS 28 18.220 2.455 4.843 236 1HD LYS 28 2HD LYS 28 17.815 5.071 4.211 237 2HD LYS 28 1HD LYS 28 18.698 5.215 5.732 238 1HE LYS 28 2HE LYS 28 19.596 3.547 3.386 239 2HE LYS 28 1HE LYS 28 20.156 5.185 3.717 240 1HZ LYS 28 1HZ LYS 28 20.754 2.695 5.137 241 2HZ LYS 28 2HZ LYS 28 20.706 4.127 6.034 242 3HZ LYS 28 3HZ LYS 28 21.778 3.981 4.735 243 H GLY 29 H GLY 29 13.682 1.586 7.551 244 1HA GLY 29 2HA GLY 29 13.566 1.767 9.928 245 2HA GLY 29 1HA GLY 29 14.756 3.058 9.855 246 H GLN 30 H GLN 30 13.056 4.113 7.481 247 HA GLN 30 HA GLN 30 11.422 5.832 9.140 248 1HB GLN 30 2HB GLN 30 12.819 6.734 7.289 249 2HB GLN 30 1HB GLN 30 11.806 5.867 6.142 250 1HG GLN 30 2HG GLN 30 9.982 7.288 7.622 251 2HG GLN 30 1HG GLN 30 11.351 8.393 7.505 252 1HE2 GLN 30 1HE2 GLN 30 11.621 9.507 5.687 253 2HE2 GLN 30 2HE2 GLN 30 10.745 9.252 4.219 254 HA PRO 31 HA PRO 31 7.789 3.352 8.346 255 1HB PRO 31 2HB PRO 31 6.003 4.884 9.658 256 2HB PRO 31 1HB PRO 31 7.193 3.892 10.509 257 1HG PRO 31 2HG PRO 31 7.250 6.826 9.914 258 2HG PRO 31 1HG PRO 31 7.678 5.981 11.412 259 1HD PRO 31 2HD PRO 31 9.525 6.845 9.604 260 2HD PRO 31 1HD PRO 31 9.775 5.435 10.652 261 H MET 32 H MET 32 7.578 3.624 6.105 262 HA MET 32 HA MET 32 6.551 6.059 4.981 263 1HB MET 32 2HB MET 32 7.709 3.614 4.009 264 2HB MET 32 1HB MET 32 6.219 3.945 3.136 265 1HG MET 32 2HG MET 32 7.018 5.929 2.260 266 2HG MET 32 1HG MET 32 8.254 6.098 3.505 267 1HE MET 32 1HE MET 32 9.764 6.552 0.623 268 2HE MET 32 2HE MET 32 11.074 5.611 1.337 269 3HE MET 32 3HE MET 32 10.072 6.642 2.357 270 H THR 33 H THR 33 4.540 6.564 5.681 271 HA THR 33 HA THR 33 2.476 4.646 6.081 272 HB THR 33 HB THR 33 2.337 6.631 7.366 273 HG1 THR 33 1HG THR 33 0.332 5.853 6.363 274 1HG2 THR 33 1HG2 THR 33 2.580 8.111 4.772 275 2HG2 THR 33 2HG2 THR 33 3.586 8.239 6.214 276 3HG2 THR 33 3HG2 THR 33 1.935 8.859 6.232 277 H PHE 34 H PHE 34 0.962 3.891 4.734 278 HA PHE 34 HA PHE 34 0.860 5.028 2.016 279 1HB PHE 34 2HB PHE 34 1.824 2.803 1.970 280 2HB PHE 34 1HB PHE 34 0.484 2.164 2.914 281 HD1 PHE 34 1HD PHE 34 -0.321 0.533 1.432 282 HD2 PHE 34 2HD PHE 34 0.215 4.535 0.087 283 HE1 PHE 34 1HE PHE 34 -1.527 -0.007 -0.644 284 HE2 PHE 34 2HE PHE 34 -0.991 4.002 -1.991 285 HZ PHE 34 HZ PHE 34 -1.864 1.729 -2.357 286 H ARG 35 H ARG 35 -1.077 5.607 1.203 287 HA ARG 35 HA ARG 35 -3.288 6.138 1.122 288 1HB ARG 35 2HB ARG 35 -3.408 3.470 2.515 289 2HB ARG 35 1HB ARG 35 -4.861 4.383 2.137 290 1HG ARG 35 2HG ARG 35 -2.980 3.989 -0.094 291 2HG ARG 35 1HG ARG 35 -3.784 2.540 0.510 292 1HD ARG 35 2HD ARG 35 -5.887 3.310 -0.054 293 2HD ARG 35 1HD ARG 35 -5.386 5.000 -0.032 294 HE ARG 35 HE ARG 35 -3.977 3.937 -2.096 295 1HH1 ARG 35 1HH1 ARG 35 -7.366 4.003 -1.264 296 2HH1 ARG 35 2HH1 ARG 35 -7.899 3.968 -2.910 297 1HH2 ARG 35 1HH2 ARG 35 -4.678 3.890 -4.263 298 2HH2 ARG 35 2HH2 ARG 35 -6.374 3.902 -4.613 299 H LEU 36 H LEU 36 -5.195 6.761 2.458 300 HA LEU 36 HA LEU 36 -4.423 7.366 5.232 301 1HB LEU 36 2HB LEU 36 -5.785 9.516 4.889 302 2HB LEU 36 1HB LEU 36 -4.163 9.445 4.233 303 HG LEU 36 HG LEU 36 -5.869 10.517 2.745 304 1HD1 LEU 36 1HD1 LEU 36 -4.626 9.952 0.979 305 2HD1 LEU 36 2HD1 LEU 36 -5.005 8.236 1.139 306 3HD1 LEU 36 3HD1 LEU 36 -3.723 8.951 2.117 307 1HD2 LEU 36 1HD2 LEU 36 -6.853 7.756 2.136 308 2HD2 LEU 36 2HD2 LEU 36 -7.568 9.313 1.723 309 3HD2 LEU 36 3HD2 LEU 36 -7.618 8.733 3.388 310 H LEU 37 H LEU 37 -6.183 7.675 6.713 311 HA LEU 37 HA LEU 37 -8.175 5.736 6.539 312 1HB LEU 37 2HB LEU 37 -8.331 8.241 8.209 313 2HB LEU 37 1HB LEU 37 -9.111 6.703 8.526 314 HG LEU 37 HG LEU 37 -6.230 6.405 8.342 315 1HD1 LEU 37 1HD1 LEU 37 -5.704 8.391 9.277 316 2HD1 LEU 37 2HD1 LEU 37 -6.146 7.546 10.760 317 3HD1 LEU 37 3HD1 LEU 37 -7.308 8.615 9.975 318 1HD2 LEU 37 1HD2 LEU 37 -6.598 4.873 9.946 319 2HD2 LEU 37 2HD2 LEU 37 -8.291 5.087 9.498 320 3HD2 LEU 37 3HD2 LEU 37 -7.629 5.952 10.886 321 H LEU 38 H LEU 38 -9.575 5.741 4.873 322 HA LEU 38 HA LEU 38 -10.644 8.008 3.618 323 1HB LEU 38 2HB LEU 38 -12.399 6.377 2.783 324 2HB LEU 38 1HB LEU 38 -10.727 6.001 2.407 325 HG LEU 38 HG LEU 38 -11.317 4.709 4.854 326 1HD1 LEU 38 1HD1 LEU 38 -13.712 5.118 3.643 327 2HD1 LEU 38 2HD1 LEU 38 -13.342 3.763 4.709 328 3HD1 LEU 38 3HD1 LEU 38 -13.237 3.563 2.961 329 1HD2 LEU 38 1HD2 LEU 38 -9.801 3.580 3.605 330 2HD2 LEU 38 2HD2 LEU 38 -10.589 3.985 2.080 331 3HD2 LEU 38 3HD2 LEU 38 -11.242 2.701 3.096 332 H VAL 39 H VAL 39 -13.188 8.189 3.465 333 HA VAL 39 HA VAL 39 -14.046 9.100 6.044 334 HB VAL 39 HB VAL 39 -15.705 8.925 3.530 335 1HG1 VAL 39 1HG1 VAL 39 -17.211 9.457 5.168 336 2HG1 VAL 39 2HG1 VAL 39 -16.643 11.070 4.740 337 3HG1 VAL 39 3HG1 VAL 39 -16.004 10.261 6.171 338 1HG2 VAL 39 1HG2 VAL 39 -13.995 11.232 4.453 339 2HG2 VAL 39 2HG2 VAL 39 -14.992 11.167 3.001 340 3HG2 VAL 39 3HG2 VAL 39 -13.576 10.128 3.143 341 H ASP 40 H ASP 40 -15.987 8.457 7.128 342 HA ASP 40 HA ASP 40 -16.762 5.664 6.586 343 1HB ASP 40 2HB ASP 40 -16.526 7.025 9.279 344 2HB ASP 40 1HB ASP 40 -17.072 5.372 9.011 345 H THR 41 H THR 41 -18.701 5.825 5.630 346 HA THR 41 HA THR 41 -20.619 7.830 6.450 347 HB THR 41 HB THR 41 -21.136 5.583 4.514 348 HG1 THR 41 1HG THR 41 -19.701 6.393 3.245 349 1HG2 THR 41 1HG2 THR 41 -22.055 8.405 4.223 350 2HG2 THR 41 2HG2 THR 41 -22.929 7.283 5.265 351 3HG2 THR 41 3HG2 THR 41 -22.738 6.925 3.550 352 HA PRO 42 HA PRO 42 -22.397 5.032 9.472 353 1HB PRO 42 2HB PRO 42 -24.410 6.659 10.277 354 2HB PRO 42 1HB PRO 42 -22.736 6.883 10.794 355 1HG PRO 42 2HG PRO 42 -24.258 8.298 8.638 356 2HG PRO 42 1HG PRO 42 -23.158 8.969 9.857 357 1HD PRO 42 2HD PRO 42 -22.395 8.509 7.301 358 2HD PRO 42 1HD PRO 42 -21.275 8.371 8.671 359 H GLU 43 H GLU 43 -24.147 6.591 6.864 360 HA GLU 43 HA GLU 43 -26.559 5.124 7.125 361 1HB GLU 43 2HB GLU 43 -25.325 6.862 5.051 362 2HB GLU 43 1HB GLU 43 -26.617 5.786 4.536 363 1HG GLU 43 2HG GLU 43 -27.405 8.040 5.135 364 2HG GLU 43 1HG GLU 43 -28.138 6.766 6.108 365 H THR 44 H THR 44 -23.698 4.694 5.063 366 HA THR 44 HA THR 44 -24.719 2.095 4.193 367 HB THR 44 HB THR 44 -22.617 2.184 2.718 368 HG1 THR 44 1HG THR 44 -22.726 4.935 3.361 369 1HG2 THR 44 1HG2 THR 44 -23.597 3.750 1.107 370 2HG2 THR 44 2HG2 THR 44 -24.739 4.281 2.339 371 3HG2 THR 44 3HG2 THR 44 -24.783 2.618 1.754 372 H LYS 45 H LYS 45 -21.390 3.133 4.854 373 HA LYS 45 HA LYS 45 -19.739 2.257 6.146 374 1HB LYS 45 2HB LYS 45 -22.036 2.067 7.719 375 2HB LYS 45 1HB LYS 45 -21.296 0.475 7.822 376 1HG LYS 45 2HG LYS 45 -19.186 2.265 8.132 377 2HG LYS 45 1HG LYS 45 -20.514 2.955 9.065 378 1HD LYS 45 2HD LYS 45 -20.799 0.577 10.015 379 2HD LYS 45 1HD LYS 45 -19.181 0.286 9.376 380 1HE LYS 45 2HE LYS 45 -18.221 1.915 10.773 381 2HE LYS 45 1HE LYS 45 -19.788 2.628 11.156 382 1HZ LYS 45 1HZ LYS 45 -20.356 0.739 12.464 383 2HZ LYS 45 2HZ LYS 45 -18.821 1.248 12.958 384 3HZ LYS 45 3HZ LYS 45 -18.980 -0.111 11.965 385 H HIS 46 H HIS 46 -20.679 0.885 3.731 386 HA HIS 46 HA HIS 46 -19.062 -1.391 3.877 387 1HB HIS 46 2HB HIS 46 -20.663 -2.530 5.164 388 2HB HIS 46 1HB HIS 46 -22.008 -1.886 4.234 389 HD1 HIS 46 1HD HIS 46 -20.032 -4.853 4.630 390 HD2 HIS 46 2HD HIS 46 -21.996 -3.018 1.461 391 HE1 HIS 46 1HE HIS 46 -20.299 -6.639 2.880 392 HE2 HIS 46 2HE HIS 46 -21.422 -5.486 0.941 393 HA PRO 47 HA PRO 47 -21.261 -1.458 -0.391 394 1HB PRO 47 2HB PRO 47 -23.413 0.115 -0.810 395 2HB PRO 47 1HB PRO 47 -23.547 -1.505 -0.113 396 1HG PRO 47 2HG PRO 47 -23.517 1.153 1.273 397 2HG PRO 47 1HG PRO 47 -24.593 -0.232 1.541 398 1HD PRO 47 2HD PRO 47 -22.464 0.272 3.129 399 2HD PRO 47 1HD PRO 47 -23.020 -1.376 2.777 400 H LYS 48 H LYS 48 -20.386 1.296 1.350 401 HA LYS 48 HA LYS 48 -19.876 2.780 -1.144 402 1HB LYS 48 2HB LYS 48 -21.437 3.657 0.888 403 2HB LYS 48 1HB LYS 48 -19.877 4.291 1.392 404 1HG LYS 48 2HG LYS 48 -19.913 5.001 -1.227 405 2HG LYS 48 1HG LYS 48 -21.625 5.106 -0.810 406 1HD LYS 48 2HD LYS 48 -21.315 6.869 0.574 407 2HD LYS 48 1HD LYS 48 -19.747 6.284 1.136 408 1HE LYS 48 2HE LYS 48 -20.244 7.514 -1.571 409 2HE LYS 48 1HE LYS 48 -19.625 8.396 -0.174 410 1HZ LYS 48 1HZ LYS 48 -18.318 6.185 -1.651 411 2HZ LYS 48 2HZ LYS 48 -17.784 6.706 -0.133 412 3HZ LYS 48 3HZ LYS 48 -17.766 7.772 -1.447 413 H LYS 49 H LYS 49 -18.631 2.044 2.095 414 HA LYS 49 HA LYS 49 -16.181 3.351 1.905 415 1HB LYS 49 2HB LYS 49 -15.408 1.501 3.530 416 2HB LYS 49 1HB LYS 49 -16.701 2.577 4.037 417 1HG LYS 49 2HG LYS 49 -18.286 0.941 3.950 418 2HG LYS 49 1HG LYS 49 -17.437 0.028 2.701 419 1HD LYS 49 2HD LYS 49 -17.240 -1.264 4.659 420 2HD LYS 49 1HD LYS 49 -15.679 -0.461 4.475 421 1HE LYS 49 2HE LYS 49 -15.981 0.838 6.310 422 2HE LYS 49 1HE LYS 49 -17.724 0.963 6.068 423 1HZ LYS 49 1HZ LYS 49 -16.826 -0.391 8.045 424 2HZ LYS 49 2HZ LYS 49 -16.520 -1.595 6.899 425 3HZ LYS 49 3HZ LYS 49 -18.099 -1.034 7.133 426 H GLY 50 H GLY 50 -17.135 0.158 0.750 427 1HA GLY 50 2HA GLY 50 -16.106 -0.730 -1.241 428 2HA GLY 50 1HA GLY 50 -14.616 0.075 -0.777 429 H VAL 51 H VAL 51 -16.441 -1.619 1.633 430 HA VAL 51 HA VAL 51 -14.385 -3.179 2.571 431 HB VAL 51 HB VAL 51 -16.468 -2.889 3.803 432 1HG1 VAL 51 1HG1 VAL 51 -17.753 -3.429 1.493 433 2HG1 VAL 51 2HG1 VAL 51 -18.514 -3.505 3.082 434 3HG1 VAL 51 3HG1 VAL 51 -17.917 -4.979 2.319 435 1HG2 VAL 51 1HG2 VAL 51 -15.772 -5.763 3.214 436 2HG2 VAL 51 2HG2 VAL 51 -16.770 -5.235 4.570 437 3HG2 VAL 51 3HG2 VAL 51 -15.081 -4.734 4.469 438 H GLU 52 H GLU 52 -16.384 -3.718 -0.215 439 HA GLU 52 HA GLU 52 -16.113 -6.462 -0.552 440 1HB GLU 52 2HB GLU 52 -16.408 -5.966 -3.002 441 2HB GLU 52 1HB GLU 52 -17.636 -5.281 -1.947 442 1HG GLU 52 2HG GLU 52 -15.845 -3.248 -2.060 443 2HG GLU 52 1HG GLU 52 -15.667 -3.957 -3.664 444 H LYS 53 H LYS 53 -13.808 -3.890 -1.153 445 HA LYS 53 HA LYS 53 -11.955 -5.848 -2.309 446 1HB LYS 53 2HB LYS 53 -10.662 -3.829 -3.041 447 2HB LYS 53 1HB LYS 53 -12.237 -4.020 -3.792 448 1HG LYS 53 2HG LYS 53 -12.187 -2.363 -1.364 449 2HG LYS 53 1HG LYS 53 -11.315 -1.715 -2.752 450 1HD LYS 53 2HD LYS 53 -13.532 -2.434 -4.011 451 2HD LYS 53 1HD LYS 53 -14.220 -2.232 -2.399 452 1HE LYS 53 2HE LYS 53 -14.476 -0.133 -3.385 453 2HE LYS 53 1HE LYS 53 -13.035 0.038 -2.386 454 1HZ LYS 53 1HZ LYS 53 -11.699 0.229 -4.184 455 2HZ LYS 53 2HZ LYS 53 -13.117 0.802 -4.906 456 3HZ LYS 53 3HZ LYS 53 -12.632 -0.801 -5.149 457 H TYR 54 H TYR 54 -12.170 -3.337 0.176 458 HA TYR 54 HA TYR 54 -9.635 -4.301 1.264 459 1HB TYR 54 2HB TYR 54 -9.159 -2.199 2.055 460 2HB TYR 54 1HB TYR 54 -10.081 -1.808 0.613 461 HD1 TYR 54 1HD TYR 54 -12.850 -2.363 1.696 462 HD2 TYR 54 2HD TYR 54 -9.534 -0.285 3.362 463 HE1 TYR 54 1HE TYR 54 -14.389 -1.010 3.055 464 HE2 TYR 54 2HE TYR 54 -11.063 1.073 4.726 465 HH TYR 54 HH TYR 54 -13.642 1.784 4.448 466 H GLY 55 H GLY 55 -12.406 -5.412 1.626 467 1HA GLY 55 2HA GLY 55 -12.933 -4.946 4.448 468 2HA GLY 55 1HA GLY 55 -13.802 -6.055 3.394 469 HA PRO 56 HA PRO 56 -11.332 -9.118 5.500 470 1HB PRO 56 2HB PRO 56 -12.560 -11.297 4.582 471 2HB PRO 56 1HB PRO 56 -13.392 -10.188 5.679 472 1HG PRO 56 2HG PRO 56 -13.677 -10.502 2.727 473 2HG PRO 56 1HG PRO 56 -14.916 -10.154 3.944 474 1HD PRO 56 2HD PRO 56 -13.651 -8.274 2.298 475 2HD PRO 56 1HD PRO 56 -14.590 -7.913 3.760 476 H GLU 57 H GLU 57 -11.179 -8.258 2.296 477 HA GLU 57 HA GLU 57 -9.516 -10.519 1.488 478 1HB GLU 57 2HB GLU 57 -11.179 -8.576 0.109 479 2HB GLU 57 1HB GLU 57 -9.591 -8.737 -0.629 480 1HG GLU 57 2HG GLU 57 -11.321 -10.236 -1.586 481 2HG GLU 57 1HG GLU 57 -9.898 -11.072 -0.969 482 H ALA 58 H ALA 58 -9.227 -6.957 0.993 483 HA ALA 58 HA ALA 58 -6.588 -6.782 0.394 484 1HB ALA 58 1HB ALA 58 -6.537 -4.573 1.445 485 2HB ALA 58 2HB ALA 58 -8.034 -4.948 2.297 486 3HB ALA 58 3HB ALA 58 -8.025 -4.833 0.542 487 H SER 59 H SER 59 -7.783 -6.661 3.731 488 HA SER 59 HA SER 59 -5.319 -6.624 5.019 489 1HB SER 59 2HB SER 59 -7.893 -6.481 5.850 490 2HB SER 59 1HB SER 59 -7.475 -8.105 6.397 491 HG SER 59 HG SER 59 -6.170 -5.672 7.039 492 H ALA 60 H ALA 60 -6.841 -9.222 3.389 493 HA ALA 60 HA ALA 60 -5.358 -11.274 4.812 494 1HB ALA 60 1HB ALA 60 -6.828 -12.764 3.974 495 2HB ALA 60 2HB ALA 60 -6.865 -11.999 2.386 496 3HB ALA 60 3HB ALA 60 -7.812 -11.325 3.711 497 H PHE 61 H PHE 61 -5.446 -9.773 1.604 498 HA PHE 61 HA PHE 61 -3.539 -11.438 0.380 499 1HB PHE 61 2HB PHE 61 -5.096 -9.736 -0.739 500 2HB PHE 61 1HB PHE 61 -3.916 -8.515 -0.271 501 HD1 PHE 61 1HD PHE 61 -2.700 -7.826 -2.085 502 HD2 PHE 61 2HD PHE 61 -3.636 -11.958 -1.685 503 HE1 PHE 61 1HE PHE 61 -1.389 -8.315 -4.109 504 HE2 PHE 61 2HE PHE 61 -2.327 -12.454 -3.708 505 HZ PHE 61 HZ PHE 61 -1.201 -10.631 -4.924 506 H THR 62 H THR 62 -3.127 -8.109 1.592 507 HA THR 62 HA THR 62 -0.355 -8.034 1.507 508 HB THR 62 HB THR 62 -0.553 -6.294 3.314 509 HG1 THR 62 1HG THR 62 -2.672 -5.747 3.954 510 1HG2 THR 62 1HG2 THR 62 -2.653 -5.861 1.219 511 2HG2 THR 62 2HG2 THR 62 -0.926 -5.787 0.870 512 3HG2 THR 62 3HG2 THR 62 -1.642 -4.663 2.026 513 H LYS 63 H LYS 63 -2.521 -9.375 3.932 514 HA LYS 63 HA LYS 63 -0.854 -9.773 6.068 515 1HB LYS 63 2HB LYS 63 -3.274 -10.384 5.968 516 2HB LYS 63 1HB LYS 63 -2.830 -11.820 5.060 517 1HG LYS 63 2HG LYS 63 -3.157 -12.431 7.344 518 2HG LYS 63 1HG LYS 63 -1.434 -12.537 6.980 519 1HD LYS 63 2HD LYS 63 -1.629 -11.489 9.105 520 2HD LYS 63 1HD LYS 63 -1.199 -10.225 7.952 521 1HE LYS 63 2HE LYS 63 -2.902 -9.320 9.318 522 2HE LYS 63 1HE LYS 63 -3.666 -9.716 7.779 523 1HZ LYS 63 1HZ LYS 63 -3.713 -11.742 9.888 524 2HZ LYS 63 2HZ LYS 63 -4.864 -11.395 8.698 525 3HZ LYS 63 3HZ LYS 63 -4.734 -10.404 10.060 526 H LYS 64 H LYS 64 -0.919 -11.454 3.016 527 HA LYS 64 HA LYS 64 0.938 -13.495 3.856 528 1HB LYS 64 2HB LYS 64 -0.692 -12.908 1.464 529 2HB LYS 64 1HB LYS 64 0.875 -13.633 1.126 530 1HG LYS 64 2HG LYS 64 -0.721 -14.904 3.258 531 2HG LYS 64 1HG LYS 64 -1.338 -15.054 1.610 532 1HD LYS 64 2HD LYS 64 1.532 -15.543 1.820 533 2HD LYS 64 1HD LYS 64 0.561 -16.668 2.773 534 1HE LYS 64 2HE LYS 64 0.750 -17.690 0.676 535 2HE LYS 64 1HE LYS 64 -0.853 -16.955 0.665 536 1HZ LYS 64 1HZ LYS 64 -0.060 -16.269 -1.341 537 2HZ LYS 64 2HZ LYS 64 1.550 -16.198 -0.829 538 3HZ LYS 64 3HZ LYS 64 0.469 -14.975 -0.387 539 H MET 65 H MET 65 0.860 -10.495 2.058 540 HA MET 65 HA MET 65 3.641 -10.617 1.304 541 1HB MET 65 2HB MET 65 1.451 -9.244 0.361 542 2HB MET 65 1HB MET 65 2.351 -7.992 1.207 543 1HG MET 65 2HG MET 65 4.302 -9.294 -0.225 544 2HG MET 65 1HG MET 65 2.915 -9.327 -1.312 545 1HE MET 65 1HE MET 65 2.838 -6.710 -3.107 546 2HE MET 65 2HE MET 65 3.670 -8.260 -2.998 547 3HE MET 65 3HE MET 65 4.600 -6.764 -3.081 548 H VAL 66 H VAL 66 2.165 -10.137 4.183 549 HA VAL 66 HA VAL 66 4.115 -8.149 5.112 550 HB VAL 66 HB VAL 66 1.421 -8.084 5.409 551 1HG1 VAL 66 1HG1 VAL 66 0.788 -8.666 7.654 552 2HG1 VAL 66 2HG1 VAL 66 2.425 -9.215 8.015 553 3HG1 VAL 66 3HG1 VAL 66 1.437 -10.094 6.848 554 1HG2 VAL 66 1HG2 VAL 66 2.240 -6.748 7.653 555 2HG2 VAL 66 2HG2 VAL 66 2.232 -6.104 6.012 556 3HG2 VAL 66 3HG2 VAL 66 3.707 -6.807 6.677 557 H GLU 67 H GLU 67 2.672 -11.295 5.857 558 HA GLU 67 HA GLU 67 4.614 -11.717 7.995 559 1HB GLU 67 2HB GLU 67 2.256 -12.273 8.415 560 2HB GLU 67 1HB GLU 67 2.300 -13.443 7.103 561 1HG GLU 67 2HG GLU 67 3.563 -14.939 8.294 562 2HG GLU 67 1HG GLU 67 4.262 -13.694 9.327 563 H ASN 68 H ASN 68 3.340 -13.940 5.513 564 HA ASN 68 HA ASN 68 5.675 -15.524 5.486 565 1HB ASN 68 2HB ASN 68 3.139 -15.845 4.559 566 2HB ASN 68 1HB ASN 68 4.010 -15.576 3.052 567 1HD2 ASN 68 1HD2 ASN 68 2.997 -17.898 3.046 568 2HD2 ASN 68 2HD2 ASN 68 4.103 -19.154 3.477 569 H ALA 69 H ALA 69 4.513 -13.013 3.278 570 HA ALA 69 HA ALA 69 7.037 -13.133 1.803 571 1HB ALA 69 1HB ALA 69 4.289 -12.358 1.158 572 2HB ALA 69 2HB ALA 69 5.584 -12.949 0.110 573 3HB ALA 69 3HB ALA 69 5.509 -11.240 0.540 574 H LYS 70 H LYS 70 8.461 -11.423 1.687 575 HA LYS 70 HA LYS 70 7.842 -8.846 2.780 576 1HB LYS 70 2HB LYS 70 9.192 -10.874 4.437 577 2HB LYS 70 1HB LYS 70 9.993 -9.311 4.388 578 1HG LYS 70 2HG LYS 70 7.577 -8.412 4.881 579 2HG LYS 70 1HG LYS 70 7.336 -10.048 5.498 580 1HD LYS 70 2HD LYS 70 9.787 -9.273 6.550 581 2HD LYS 70 1HD LYS 70 8.788 -7.822 6.659 582 1HE LYS 70 2HE LYS 70 8.601 -9.172 8.680 583 2HE LYS 70 1HE LYS 70 7.061 -9.092 7.826 584 1HZ LYS 70 1HZ LYS 70 7.785 -11.343 8.688 585 2HZ LYS 70 2HZ LYS 70 8.938 -11.348 7.451 586 3HZ LYS 70 3HZ LYS 70 7.291 -11.279 7.072 587 H LYS 71 H LYS 71 8.932 -10.059 0.326 588 HA LYS 71 HA LYS 71 11.602 -8.816 0.290 589 1HB LYS 71 2HB LYS 71 11.001 -11.333 -0.454 590 2HB LYS 71 1HB LYS 71 10.728 -10.509 -1.983 591 1HG LYS 71 2HG LYS 71 13.030 -9.519 -1.731 592 2HG LYS 71 1HG LYS 71 13.268 -10.636 -0.386 593 1HD LYS 71 2HD LYS 71 12.269 -11.774 -2.934 594 2HD LYS 71 1HD LYS 71 13.950 -11.238 -2.894 595 1HE LYS 71 2HE LYS 71 12.656 -13.205 -1.010 596 2HE LYS 71 1HE LYS 71 13.783 -13.593 -2.310 597 1HZ LYS 71 1HZ LYS 71 15.267 -13.476 -0.641 598 2HZ LYS 71 2HZ LYS 71 14.300 -12.478 0.322 599 3HZ LYS 71 3HZ LYS 71 15.204 -11.812 -0.942 600 H ILE 72 H ILE 72 9.992 -6.863 0.233 601 HA ILE 72 HA ILE 72 9.314 -6.259 -2.567 602 HB ILE 72 HB ILE 72 8.292 -4.792 -0.147 603 1HG1 ILE 72 2HG1 ILE 72 6.202 -6.315 -1.199 604 2HG1 ILE 72 1HG1 ILE 72 7.571 -7.420 -1.143 605 1HG2 ILE 72 1HG2 ILE 72 7.019 -4.975 -2.851 606 2HG2 ILE 72 2HG2 ILE 72 8.253 -3.769 -2.486 607 3HG2 ILE 72 3HG2 ILE 72 6.744 -3.789 -1.575 608 1HD1 ILE 72 1HD1 ILE 72 6.743 -7.761 0.933 609 2HD1 ILE 72 2HD1 ILE 72 6.074 -6.133 1.058 610 3HD1 ILE 72 3HD1 ILE 72 7.802 -6.398 1.291 611 H GLU 73 H GLU 73 9.929 -4.323 -3.495 612 HA GLU 73 HA GLU 73 11.843 -2.680 -1.987 613 1HB GLU 73 2HB GLU 73 13.096 -2.453 -4.207 614 2HB GLU 73 1HB GLU 73 13.272 -3.971 -3.335 615 1HG GLU 73 2HG GLU 73 11.789 -5.089 -4.814 616 2HG GLU 73 1HG GLU 73 11.303 -3.571 -5.570 617 H VAL 74 H VAL 74 12.192 -0.525 -2.966 618 HA VAL 74 HA VAL 74 9.650 0.521 -3.961 619 HB VAL 74 HB VAL 74 10.723 2.765 -3.481 620 1HG1 VAL 74 1HG1 VAL 74 10.674 2.221 -0.886 621 2HG1 VAL 74 2HG1 VAL 74 9.987 0.706 -1.474 622 3HG1 VAL 74 3HG1 VAL 74 9.206 2.238 -1.864 623 1HG2 VAL 74 1HG2 VAL 74 12.637 1.547 -1.627 624 2HG2 VAL 74 2HG2 VAL 74 12.807 2.956 -2.673 625 3HG2 VAL 74 3HG2 VAL 74 13.043 1.337 -3.329 626 H GLU 75 H GLU 75 9.406 0.821 -6.068 627 HA GLU 75 HA GLU 75 11.721 0.964 -7.813 628 1HB GLU 75 2HB GLU 75 8.907 0.268 -8.088 629 2HB GLU 75 1HB GLU 75 9.452 1.324 -9.383 630 1HG GLU 75 2HG GLU 75 11.278 -0.879 -8.778 631 2HG GLU 75 1HG GLU 75 9.690 -1.382 -9.355 632 H PHE 76 H PHE 76 11.690 2.596 -9.617 633 HA PHE 76 HA PHE 76 11.852 4.755 -10.309 634 1HB PHE 76 2HB PHE 76 9.472 5.379 -8.569 635 2HB PHE 76 1HB PHE 76 9.962 6.167 -10.066 636 HD1 PHE 76 1HD PHE 76 8.020 3.546 -8.584 637 HD2 PHE 76 2HD PHE 76 9.770 4.889 -12.223 638 HE1 PHE 76 1HE PHE 76 6.521 2.062 -9.846 639 HE2 PHE 76 2HE PHE 76 8.272 3.407 -13.494 640 HZ PHE 76 HZ PHE 76 6.644 1.991 -12.306 641 H ASP 77 H ASP 77 12.269 7.004 -9.575 642 HA ASP 77 HA ASP 77 14.017 7.006 -7.353 643 1HB ASP 77 2HB ASP 77 14.056 9.511 -7.756 644 2HB ASP 77 1HB ASP 77 14.512 8.505 -9.128 645 H LYS 78 H LYS 78 10.638 7.465 -7.613 646 HA LYS 78 HA LYS 78 10.243 7.629 -4.845 647 1HB LYS 78 2HB LYS 78 9.391 9.936 -4.647 648 2HB LYS 78 1HB LYS 78 11.108 9.889 -5.021 649 1HG LYS 78 2HG LYS 78 10.609 10.359 -7.369 650 2HG LYS 78 1HG LYS 78 8.887 10.415 -6.987 651 1HD LYS 78 2HD LYS 78 9.093 12.392 -5.780 652 2HD LYS 78 1HD LYS 78 10.824 12.168 -5.524 653 1HE LYS 78 2HE LYS 78 10.732 12.300 -8.221 654 2HE LYS 78 1HE LYS 78 9.377 13.345 -7.804 655 1HZ LYS 78 1HZ LYS 78 10.729 14.896 -6.919 656 2HZ LYS 78 2HZ LYS 78 11.877 14.202 -7.951 657 3HZ LYS 78 3HZ LYS 78 11.839 13.771 -6.315 658 H GLY 79 H GLY 79 8.943 8.584 -8.000 659 1HA GLY 79 2HA GLY 79 6.933 8.091 -9.001 660 2HA GLY 79 1HA GLY 79 6.710 6.855 -7.771 661 H GLN 80 H GLN 80 6.135 10.193 -8.633 662 HA GLN 80 HA GLN 80 4.654 10.758 -6.218 663 1HB GLN 80 2HB GLN 80 4.085 12.899 -7.463 664 2HB GLN 80 1HB GLN 80 5.789 12.623 -7.131 665 1HG GLN 80 2HG GLN 80 6.234 12.042 -9.370 666 2HG GLN 80 1HG GLN 80 4.521 11.898 -9.752 667 1HE2 GLN 80 1HE2 GLN 80 6.003 13.395 -11.381 668 2HE2 GLN 80 2HE2 GLN 80 5.681 15.078 -11.152 669 H ARG 81 H ARG 81 2.716 9.873 -5.933 670 HA ARG 81 HA ARG 81 0.927 9.633 -8.262 671 1HB ARG 81 2HB ARG 81 1.758 7.643 -6.560 672 2HB ARG 81 1HB ARG 81 0.207 8.096 -5.868 673 1HG ARG 81 2HG ARG 81 0.033 7.846 -8.737 674 2HG ARG 81 1HG ARG 81 0.662 6.372 -8.001 675 1HD ARG 81 2HD ARG 81 -1.441 5.828 -7.527 676 2HD ARG 81 1HD ARG 81 -1.436 7.136 -6.346 677 HE ARG 81 HE ARG 81 -2.038 8.320 -8.752 678 1HH1 ARG 81 1HH1 ARG 81 -3.428 5.806 -6.770 679 2HH1 ARG 81 2HH1 ARG 81 -5.049 6.116 -7.294 680 1HH2 ARG 81 1HH2 ARG 81 -4.169 8.728 -9.444 681 2HH2 ARG 81 2HH2 ARG 81 -5.470 7.774 -8.813 682 H THR 82 H THR 82 1.179 10.640 -4.902 683 HA THR 82 HA THR 82 -1.519 11.787 -5.061 684 HB THR 82 HB THR 82 0.072 11.588 -2.522 685 HG1 THR 82 1HG THR 82 -0.343 9.485 -3.868 686 1HG2 THR 82 1HG2 THR 82 -2.737 12.050 -3.238 687 2HG2 THR 82 2HG2 THR 82 -1.810 12.595 -1.842 688 3HG2 THR 82 3HG2 THR 82 -2.460 10.958 -1.881 689 H ASP 83 H ASP 83 -1.511 13.812 -3.350 690 HA ASP 83 HA ASP 83 0.490 15.660 -4.449 691 1HB ASP 83 2HB ASP 83 -2.398 15.916 -3.834 692 2HB ASP 83 1HB ASP 83 -1.398 17.317 -3.468 693 H LYS 84 H LYS 84 -0.665 14.174 -1.607 694 HA LYS 84 HA LYS 84 -0.047 16.050 0.363 695 1HB LYS 84 2HB LYS 84 0.384 13.077 0.658 696 2HB LYS 84 1HB LYS 84 -0.078 14.234 1.900 697 1HG LYS 84 2HG LYS 84 -2.099 14.436 0.024 698 2HG LYS 84 1HG LYS 84 -1.725 12.713 0.071 699 1HD LYS 84 2HD LYS 84 -2.137 12.598 2.408 700 2HD LYS 84 1HD LYS 84 -2.197 14.357 2.550 701 1HE LYS 84 2HE LYS 84 -4.182 14.226 0.935 702 2HE LYS 84 1HE LYS 84 -4.202 12.503 1.305 703 1HZ LYS 84 1HZ LYS 84 -4.965 14.763 2.961 704 2HZ LYS 84 2HZ LYS 84 -4.127 13.527 3.754 705 3HZ LYS 84 3HZ LYS 84 -5.568 13.182 2.939 706 H TYR 85 H TYR 85 1.834 14.733 2.009 707 HA TYR 85 HA TYR 85 4.271 15.621 0.728 708 1HB TYR 85 2HB TYR 85 5.274 15.014 3.002 709 2HB TYR 85 1HB TYR 85 4.109 16.331 2.967 710 HD1 TYR 85 1HD TYR 85 3.983 12.596 3.297 711 HD2 TYR 85 2HD TYR 85 2.670 16.375 4.751 712 HE1 TYR 85 1HE TYR 85 2.670 11.466 5.041 713 HE2 TYR 85 2HE TYR 85 1.349 15.251 6.493 714 HH TYR 85 HH TYR 85 0.721 11.915 6.462 715 H GLY 86 H GLY 86 2.678 12.931 0.224 716 1HA GLY 86 2HA GLY 86 3.807 11.156 -0.963 717 2HA GLY 86 1HA GLY 86 5.142 11.305 0.167 718 H ARG 87 H ARG 87 1.727 11.244 1.025 719 HA ARG 87 HA ARG 87 2.245 8.828 2.610 720 1HB ARG 87 2HB ARG 87 1.360 10.905 3.718 721 2HB ARG 87 1HB ARG 87 -0.118 10.697 2.794 722 1HG ARG 87 2HG ARG 87 0.666 8.294 4.236 723 2HG ARG 87 1HG ARG 87 0.385 9.679 5.291 724 1HD ARG 87 2HD ARG 87 -1.761 9.948 3.775 725 2HD ARG 87 1HD ARG 87 -1.504 8.224 3.509 726 HE ARG 87 HE ARG 87 -2.157 7.816 5.670 727 1HH1 ARG 87 1HH1 ARG 87 -1.594 11.239 5.271 728 2HH1 ARG 87 2HH1 ARG 87 -2.269 11.655 6.809 729 1HH2 ARG 87 1HH2 ARG 87 -3.047 8.365 7.692 730 2HH2 ARG 87 2HH2 ARG 87 -3.095 10.024 8.184 731 H GLY 88 H GLY 88 0.430 10.015 -0.087 732 1HA GLY 88 2HA GLY 88 -1.335 7.685 -0.070 733 2HA GLY 88 1HA GLY 88 -1.468 9.075 -1.132 734 H LEU 89 H LEU 89 1.709 8.403 -1.289 735 HA LEU 89 HA LEU 89 1.284 6.603 -3.580 736 1HB LEU 89 2HB LEU 89 3.687 7.482 -4.183 737 2HB LEU 89 1HB LEU 89 2.251 8.384 -4.604 738 HG LEU 89 HG LEU 89 4.074 9.804 -3.758 739 1HD1 LEU 89 1HD1 LEU 89 1.388 9.910 -3.096 740 2HD1 LEU 89 2HD1 LEU 89 2.555 11.229 -3.014 741 3HD1 LEU 89 3HD1 LEU 89 2.228 10.250 -1.585 742 1HD2 LEU 89 1HD2 LEU 89 4.890 8.030 -2.130 743 2HD2 LEU 89 2HD2 LEU 89 3.625 8.605 -1.045 744 3HD2 LEU 89 3HD2 LEU 89 4.900 9.700 -1.574 745 H ALA 90 H ALA 90 1.779 4.578 -3.213 746 HA ALA 90 HA ALA 90 4.307 3.937 -1.903 747 1HB ALA 90 1HB ALA 90 3.436 2.577 -0.247 748 2HB ALA 90 2HB ALA 90 1.880 2.408 -1.059 749 3HB ALA 90 3HB ALA 90 2.297 3.924 -0.262 750 H TYR 91 H TYR 91 5.323 2.818 -3.443 751 HA TYR 91 HA TYR 91 3.823 1.092 -5.243 752 1HB TYR 91 2HB TYR 91 6.618 2.167 -5.183 753 2HB TYR 91 1HB TYR 91 6.263 0.743 -6.158 754 HD1 TYR 91 1HD TYR 91 5.864 4.342 -5.840 755 HD2 TYR 91 2HD TYR 91 4.688 0.906 -8.057 756 HE1 TYR 91 1HE TYR 91 5.035 5.795 -7.643 757 HE2 TYR 91 2HE TYR 91 3.857 2.349 -9.866 758 HH TYR 91 HH TYR 91 3.263 5.566 -9.523 759 H ILE 92 H ILE 92 3.640 -1.040 -4.998 760 HA ILE 92 HA ILE 92 5.428 -2.365 -3.066 761 HB ILE 92 HB ILE 92 2.648 -3.277 -3.782 762 1HG1 ILE 92 2HG1 ILE 92 2.467 -2.357 -1.216 763 2HG1 ILE 92 1HG1 ILE 92 3.558 -1.173 -1.929 764 1HG2 ILE 92 1HG2 ILE 92 2.893 -4.904 -2.216 765 2HG2 ILE 92 2HG2 ILE 92 3.988 -3.941 -1.225 766 3HG2 ILE 92 3HG2 ILE 92 4.584 -4.728 -2.686 767 1HD1 ILE 92 1HD1 ILE 92 1.844 -0.919 -3.772 768 2HD1 ILE 92 2HD1 ILE 92 1.400 -0.297 -2.183 769 3HD1 ILE 92 3HD1 ILE 92 0.751 -1.840 -2.740 770 H TYR 93 H TYR 93 6.919 -3.462 -4.168 771 HA TYR 93 HA TYR 93 6.005 -5.272 -6.296 772 1HB TYR 93 2HB TYR 93 8.409 -3.454 -6.307 773 2HB TYR 93 1HB TYR 93 8.303 -4.865 -7.353 774 HD1 TYR 93 1HD TYR 93 7.773 -1.438 -7.217 775 HD2 TYR 93 2HD TYR 93 5.963 -5.000 -8.678 776 HE1 TYR 93 1HE TYR 93 6.512 -0.114 -8.863 777 HE2 TYR 93 2HE TYR 93 4.698 -3.687 -10.327 778 HH TYR 93 HH TYR 93 5.087 -1.338 -11.502 779 H ALA 94 H ALA 94 5.951 -6.926 -4.700 780 HA ALA 94 HA ALA 94 8.325 -7.633 -3.243 781 1HB ALA 94 1HB ALA 94 6.032 -8.006 -2.368 782 2HB ALA 94 2HB ALA 94 7.037 -9.454 -2.358 783 3HB ALA 94 3HB ALA 94 5.806 -9.244 -3.603 784 H ASP 95 H ASP 95 10.007 -8.491 -4.267 785 HA ASP 95 HA ASP 95 11.268 -9.695 -5.740 786 1HB ASP 95 2HB ASP 95 10.215 -11.433 -4.167 787 2HB ASP 95 1HB ASP 95 9.147 -11.822 -5.512 788 H GLY 96 H GLY 96 9.219 -7.973 -6.907 789 1HA GLY 96 2HA GLY 96 8.634 -7.458 -9.084 790 2HA GLY 96 1HA GLY 96 9.358 -8.975 -9.596 791 H LYS 97 H LYS 97 6.948 -8.929 -7.091 792 HA LYS 97 HA LYS 97 5.243 -10.632 -8.659 793 1HB LYS 97 2HB LYS 97 5.328 -9.703 -5.840 794 2HB LYS 97 1HB LYS 97 3.763 -10.193 -6.470 795 1HG LYS 97 2HG LYS 97 5.829 -12.106 -7.138 796 2HG LYS 97 1HG LYS 97 5.712 -11.840 -5.398 797 1HD LYS 97 2HD LYS 97 3.220 -12.180 -5.638 798 2HD LYS 97 1HD LYS 97 3.539 -12.725 -7.287 799 1HE LYS 97 2HE LYS 97 5.041 -14.466 -6.385 800 2HE LYS 97 1HE LYS 97 4.626 -13.946 -4.752 801 1HZ LYS 97 1HZ LYS 97 2.555 -14.843 -4.889 802 2HZ LYS 97 2HZ LYS 97 3.367 -15.909 -5.922 803 3HZ LYS 97 3HZ LYS 97 2.440 -14.650 -6.567 804 H MET 98 H MET 98 2.874 -10.216 -8.794 805 HA MET 98 HA MET 98 2.388 -7.380 -9.425 806 1HB MET 98 2HB MET 98 0.527 -8.351 -10.889 807 2HB MET 98 1HB MET 98 2.182 -8.582 -11.435 808 1HG MET 98 2HG MET 98 1.212 -10.747 -9.745 809 2HG MET 98 1HG MET 98 0.271 -10.529 -11.220 810 1HE MET 98 1HE MET 98 3.692 -13.080 -10.823 811 2HE MET 98 2HE MET 98 2.549 -12.433 -9.648 812 3HE MET 98 3HE MET 98 4.075 -11.600 -9.945 813 H VAL 99 H VAL 99 1.776 -6.918 -7.256 814 HA VAL 99 HA VAL 99 -0.577 -8.267 -6.195 815 HB VAL 99 HB VAL 99 -0.234 -6.703 -4.238 816 1HG1 VAL 99 1HG1 VAL 99 0.803 -9.104 -4.714 817 2HG1 VAL 99 2HG1 VAL 99 1.171 -8.191 -3.251 818 3HG1 VAL 99 3HG1 VAL 99 2.305 -8.188 -4.602 819 1HG2 VAL 99 1HG2 VAL 99 2.464 -6.164 -5.438 820 2HG2 VAL 99 2HG2 VAL 99 1.696 -5.389 -4.053 821 3HG2 VAL 99 3HG2 VAL 99 1.104 -5.068 -5.683 822 H ASN 100 H ASN 100 0.379 -5.157 -7.516 823 HA ASN 100 HA ASN 100 -1.978 -3.746 -6.847 824 1HB ASN 100 2HB ASN 100 -1.240 -2.157 -8.634 825 2HB ASN 100 1HB ASN 100 0.010 -2.522 -7.448 826 1HD2 ASN 100 1HD2 ASN 100 -1.111 -3.148 -10.705 827 2HD2 ASN 100 2HD2 ASN 100 0.409 -3.676 -11.331 828 H GLU 101 H GLU 101 -1.088 -5.825 -9.518 829 HA GLU 101 HA GLU 101 -3.544 -5.221 -10.956 830 1HB GLU 101 2HB GLU 101 -1.238 -5.601 -12.033 831 2HB GLU 101 1HB GLU 101 -1.522 -7.309 -11.730 832 1HG GLU 101 2HG GLU 101 -2.708 -7.455 -13.584 833 2HG GLU 101 1HG GLU 101 -3.838 -6.246 -12.974 834 H ALA 102 H ALA 102 -2.347 -7.564 -8.726 835 HA ALA 102 HA ALA 102 -3.837 -9.812 -9.439 836 1HB ALA 102 1HB ALA 102 -2.727 -8.835 -6.838 837 2HB ALA 102 2HB ALA 102 -2.217 -10.203 -7.827 838 3HB ALA 102 3HB ALA 102 -3.716 -10.293 -6.901 839 H LEU 103 H LEU 103 -4.718 -8.130 -6.450 840 HA LEU 103 HA LEU 103 -7.519 -8.270 -7.330 841 1HB LEU 103 2HB LEU 103 -7.991 -8.179 -4.802 842 2HB LEU 103 1HB LEU 103 -7.476 -9.686 -5.519 843 HG LEU 103 HG LEU 103 -6.454 -9.199 -3.310 844 1HD1 LEU 103 1HD1 LEU 103 -5.254 -10.214 -5.623 845 2HD1 LEU 103 2HD1 LEU 103 -4.799 -10.520 -3.948 846 3HD1 LEU 103 3HD1 LEU 103 -4.030 -9.211 -4.845 847 1HD2 LEU 103 1HD2 LEU 103 -6.179 -6.664 -4.099 848 2HD2 LEU 103 2HD2 LEU 103 -4.572 -7.261 -4.505 849 3HD2 LEU 103 3HD2 LEU 103 -5.173 -7.396 -2.851 850 H VAL 104 H VAL 104 -5.010 -6.224 -6.152 851 HA VAL 104 HA VAL 104 -6.480 -4.099 -5.112 852 HB VAL 104 HB VAL 104 -3.884 -3.934 -6.644 853 1HG1 VAL 104 1HG1 VAL 104 -3.746 -1.987 -4.791 854 2HG1 VAL 104 2HG1 VAL 104 -5.480 -1.982 -5.113 855 3HG1 VAL 104 3HG1 VAL 104 -4.336 -1.730 -6.432 856 1HG2 VAL 104 1HG2 VAL 104 -4.420 -4.391 -3.709 857 2HG2 VAL 104 2HG2 VAL 104 -2.836 -4.035 -4.398 858 3HG2 VAL 104 3HG2 VAL 104 -3.676 -5.522 -4.840 859 H ARG 105 H ARG 105 -6.225 -5.201 -8.355 860 HA ARG 105 HA ARG 105 -6.605 -2.844 -9.798 861 1HB ARG 105 2HB ARG 105 -7.724 -4.342 -11.496 862 2HB ARG 105 1HB ARG 105 -6.110 -4.834 -11.002 863 1HG ARG 105 2HG ARG 105 -6.860 -6.686 -9.892 864 2HG ARG 105 1HG ARG 105 -8.449 -5.988 -9.574 865 1HD ARG 105 2HD ARG 105 -8.394 -7.857 -11.263 866 2HD ARG 105 1HD ARG 105 -9.162 -6.364 -11.798 867 HE ARG 105 HE ARG 105 -6.375 -6.552 -12.483 868 1HH1 ARG 105 1HH1 ARG 105 -9.630 -7.323 -13.475 869 2HH1 ARG 105 2HH1 ARG 105 -9.228 -7.425 -15.157 870 1HH2 ARG 105 1HH2 ARG 105 -5.843 -6.683 -14.693 871 2HH2 ARG 105 2HH2 ARG 105 -7.078 -7.060 -15.847 872 H GLN 106 H GLN 106 -8.871 -4.839 -8.007 873 HA GLN 106 HA GLN 106 -11.094 -3.113 -8.823 874 1HB GLN 106 2HB GLN 106 -11.287 -5.555 -7.072 875 2HB GLN 106 1HB GLN 106 -12.564 -4.783 -7.999 876 1HG GLN 106 2HG GLN 106 -11.218 -5.424 -10.066 877 2HG GLN 106 1HG GLN 106 -10.297 -6.474 -8.990 878 1HE2 GLN 106 1HE2 GLN 106 -11.965 -7.212 -11.230 879 2HE2 GLN 106 2HE2 GLN 106 -13.196 -8.249 -10.609 880 H GLY 107 H GLY 107 -8.854 -2.435 -6.921 881 1HA GLY 107 2HA GLY 107 -8.982 -0.773 -5.244 882 2HA GLY 107 1HA GLY 107 -10.573 -1.371 -4.805 883 H LEU 108 H LEU 108 -8.847 -4.092 -5.115 884 HA LEU 108 HA LEU 108 -6.983 -4.724 -3.485 885 1HB LEU 108 2HB LEU 108 -9.110 -3.640 -1.703 886 2HB LEU 108 1HB LEU 108 -8.172 -5.011 -1.152 887 HG LEU 108 HG LEU 108 -6.736 -2.604 -2.179 888 1HD1 LEU 108 1HD1 LEU 108 -6.700 -1.738 0.162 889 2HD1 LEU 108 2HD1 LEU 108 -7.992 -2.875 0.543 890 3HD1 LEU 108 3HD1 LEU 108 -8.260 -1.601 -0.646 891 1HD2 LEU 108 1HD2 LEU 108 -6.132 -5.043 -0.701 892 2HD2 LEU 108 2HD2 LEU 108 -5.453 -3.593 0.037 893 3HD2 LEU 108 3HD2 LEU 108 -5.072 -3.990 -1.637 894 H ALA 109 H ALA 109 -10.330 -5.345 -4.096 895 HA ALA 109 HA ALA 109 -9.852 -8.106 -4.510 896 1HB ALA 109 1HB ALA 109 -11.843 -8.430 -2.619 897 2HB ALA 109 2HB ALA 109 -10.711 -7.309 -1.864 898 3HB ALA 109 3HB ALA 109 -10.146 -8.872 -2.450 899 H LYS 110 H LYS 110 -12.902 -6.943 -3.184 900 HA LYS 110 HA LYS 110 -14.958 -6.694 -4.123 901 1HB LYS 110 2HB LYS 110 -14.346 -4.773 -5.237 902 2HB LYS 110 1HB LYS 110 -13.090 -5.578 -6.162 903 1HG LYS 110 2HG LYS 110 -14.766 -4.920 -7.687 904 2HG LYS 110 1HG LYS 110 -14.913 -6.667 -7.504 905 1HD LYS 110 2HD LYS 110 -16.982 -6.509 -6.652 906 2HD LYS 110 1HD LYS 110 -16.533 -5.173 -5.589 907 1HE LYS 110 2HE LYS 110 -16.495 -4.063 -8.130 908 2HE LYS 110 1HE LYS 110 -17.894 -5.136 -8.150 909 1HZ LYS 110 1HZ LYS 110 -18.668 -4.046 -6.108 910 2HZ LYS 110 2HZ LYS 110 -18.541 -2.961 -7.399 911 3HZ LYS 110 3HZ LYS 110 -17.363 -2.973 -6.185 Start of MODEL 7 1 1H ALA 1 1HT ALA 1 13.789 16.112 -26.583 2 2H ALA 1 2HT ALA 1 13.504 14.905 -25.397 3 3H ALA 1 3HT ALA 1 12.722 16.429 -25.280 4 HA ALA 1 HA ALA 1 11.332 16.013 -27.009 5 1HB ALA 1 1HB ALA 1 13.345 15.053 -28.353 6 2HB ALA 1 2HB ALA 1 11.703 14.554 -28.756 7 3HB ALA 1 3HB ALA 1 12.735 13.497 -27.794 8 H THR 2 H THR 2 12.750 13.066 -25.582 9 HA THR 2 HA THR 2 10.051 12.328 -24.663 10 HB THR 2 HB THR 2 12.216 10.298 -24.681 11 HG1 THR 2 1HG THR 2 12.665 10.774 -26.682 12 1HG2 THR 2 1HG2 THR 2 10.540 8.852 -24.679 13 2HG2 THR 2 2HG2 THR 2 9.756 9.645 -26.046 14 3HG2 THR 2 3HG2 THR 2 9.471 10.229 -24.406 15 H SER 3 H SER 3 9.670 12.320 -22.551 16 HA SER 3 HA SER 3 11.644 13.112 -20.680 17 1HB SER 3 2HB SER 3 8.787 12.238 -20.504 18 2HB SER 3 1HB SER 3 9.745 12.335 -19.027 19 HG SER 3 HG SER 3 10.130 14.508 -19.465 20 H THR 4 H THR 4 13.083 11.937 -19.603 21 HA THR 4 HA THR 4 12.796 9.012 -19.633 22 HB THR 4 HB THR 4 15.304 10.560 -18.996 23 HG1 THR 4 1HG THR 4 14.829 11.165 -21.051 24 1HG2 THR 4 1HG2 THR 4 16.306 8.602 -18.812 25 2HG2 THR 4 2HG2 THR 4 15.682 8.085 -20.379 26 3HG2 THR 4 3HG2 THR 4 14.726 7.827 -18.919 27 H LYS 5 H LYS 5 11.820 8.322 -17.835 28 HA LYS 5 HA LYS 5 12.431 9.616 -15.278 29 1HB LYS 5 2HB LYS 5 10.037 8.958 -16.263 30 2HB LYS 5 1HB LYS 5 10.419 7.433 -15.472 31 1HG LYS 5 2HG LYS 5 9.753 8.281 -13.543 32 2HG LYS 5 1HG LYS 5 11.031 9.493 -13.642 33 1HD LYS 5 2HD LYS 5 9.610 11.123 -14.294 34 2HD LYS 5 1HD LYS 5 8.648 10.029 -15.289 35 1HE LYS 5 2HE LYS 5 8.472 9.576 -12.388 36 2HE LYS 5 1HE LYS 5 7.810 11.112 -12.949 37 1HZ LYS 5 1HZ LYS 5 6.067 9.543 -13.008 38 2HZ LYS 5 2HZ LYS 5 7.017 8.384 -13.791 39 3HZ LYS 5 3HZ LYS 5 6.531 9.776 -14.617 40 H LYS 6 H LYS 6 13.828 8.726 -13.915 41 HA LYS 6 HA LYS 6 14.720 5.984 -14.386 42 1HB LYS 6 2HB LYS 6 16.133 8.249 -13.867 43 2HB LYS 6 1HB LYS 6 16.006 7.566 -12.252 44 1HG LYS 6 2HG LYS 6 17.602 6.099 -12.694 45 2HG LYS 6 1HG LYS 6 16.725 5.508 -14.106 46 1HD LYS 6 2HD LYS 6 17.647 7.561 -15.319 47 2HD LYS 6 1HD LYS 6 18.749 7.725 -13.951 48 1HE LYS 6 2HE LYS 6 19.054 5.099 -14.544 49 2HE LYS 6 1HE LYS 6 18.725 5.764 -16.143 50 1HZ LYS 6 1HZ LYS 6 21.075 5.775 -15.725 51 2HZ LYS 6 2HZ LYS 6 20.868 6.633 -14.281 52 3HZ LYS 6 3HZ LYS 6 20.522 7.374 -15.762 53 H LEU 7 H LEU 7 14.091 4.341 -13.156 54 HA LEU 7 HA LEU 7 12.924 4.934 -10.515 55 1HB LEU 7 2HB LEU 7 12.164 2.654 -12.338 56 2HB LEU 7 1HB LEU 7 11.410 3.073 -10.811 57 HG LEU 7 HG LEU 7 9.943 3.806 -12.525 58 1HD1 LEU 7 1HD1 LEU 7 10.068 6.326 -12.286 59 2HD1 LEU 7 2HD1 LEU 7 11.522 6.062 -11.326 60 3HD1 LEU 7 3HD1 LEU 7 9.980 5.395 -10.792 61 1HD2 LEU 7 1HD2 LEU 7 10.538 4.665 -14.519 62 2HD2 LEU 7 2HD2 LEU 7 12.099 3.941 -14.135 63 3HD2 LEU 7 3HD2 LEU 7 11.824 5.657 -13.832 64 H HIS 8 H HIS 8 14.423 4.388 -9.063 65 HA HIS 8 HA HIS 8 16.144 2.086 -9.508 66 1HB HIS 8 2HB HIS 8 16.404 4.544 -8.133 67 2HB HIS 8 1HB HIS 8 16.495 3.277 -6.915 68 HD1 HIS 8 1HD HIS 8 18.167 1.164 -8.015 69 HD2 HIS 8 2HD HIS 8 18.902 5.150 -8.929 70 HE1 HIS 8 1HE HIS 8 20.572 1.255 -8.742 71 HE2 HIS 8 2HE HIS 8 20.973 3.664 -9.363 72 H LYS 9 H LYS 9 16.341 0.354 -8.008 73 HA LYS 9 HA LYS 9 13.836 -0.184 -6.568 74 1HB LYS 9 2HB LYS 9 15.626 -1.814 -8.207 75 2HB LYS 9 1HB LYS 9 15.212 -2.577 -6.679 76 1HG LYS 9 2HG LYS 9 12.822 -2.240 -7.198 77 2HG LYS 9 1HG LYS 9 13.288 -1.585 -8.769 78 1HD LYS 9 2HD LYS 9 13.688 -3.620 -9.623 79 2HD LYS 9 1HD LYS 9 14.508 -4.172 -8.162 80 1HE LYS 9 2HE LYS 9 12.700 -5.281 -7.494 81 2HE LYS 9 1HE LYS 9 11.694 -3.845 -7.666 82 1HZ LYS 9 1HZ LYS 9 10.898 -4.547 -9.618 83 2HZ LYS 9 2HZ LYS 9 11.452 -6.075 -9.150 84 3HZ LYS 9 3HZ LYS 9 12.399 -5.108 -10.164 85 H GLU 10 H GLU 10 14.023 0.372 -4.494 86 HA GLU 10 HA GLU 10 16.481 -0.397 -3.062 87 1HB GLU 10 2HB GLU 10 14.524 1.700 -2.139 88 2HB GLU 10 1HB GLU 10 16.169 1.430 -1.581 89 1HG GLU 10 2HG GLU 10 16.597 1.932 -4.205 90 2HG GLU 10 1HG GLU 10 15.179 2.934 -3.895 91 HA PRO 11 HA PRO 11 14.163 -3.259 -0.647 92 1HB PRO 11 2HB PRO 11 15.421 -2.995 1.779 93 2HB PRO 11 1HB PRO 11 16.069 -3.923 0.423 94 1HG PRO 11 2HG PRO 11 16.733 -1.143 1.305 95 2HG PRO 11 1HG PRO 11 17.817 -2.431 0.746 96 1HD PRO 11 2HD PRO 11 17.082 -0.406 -0.861 97 2HD PRO 11 1HD PRO 11 17.318 -2.052 -1.486 98 H ALA 12 H ALA 12 12.150 -2.912 0.006 99 HA ALA 12 HA ALA 12 11.653 -1.102 2.236 100 1HB ALA 12 1HB ALA 12 10.882 0.505 0.889 101 2HB ALA 12 2HB ALA 12 9.498 -0.553 0.611 102 3HB ALA 12 3HB ALA 12 10.858 -0.566 -0.512 103 H THR 13 H THR 13 10.814 -2.498 3.662 104 HA THR 13 HA THR 13 8.733 -4.355 2.711 105 HB THR 13 HB THR 13 10.395 -4.727 5.198 106 HG1 THR 13 1HG THR 13 11.851 -5.812 4.042 107 1HG2 THR 13 1HG2 THR 13 8.851 -6.692 3.523 108 2HG2 THR 13 2HG2 THR 13 8.375 -6.075 5.105 109 3HG2 THR 13 3HG2 THR 13 9.820 -7.073 4.947 110 H LEU 14 H LEU 14 7.020 -4.854 4.232 111 HA LEU 14 HA LEU 14 6.343 -2.522 5.884 112 1HB LEU 14 2HB LEU 14 4.005 -3.878 5.672 113 2HB LEU 14 1HB LEU 14 4.503 -2.586 4.600 114 HG LEU 14 HG LEU 14 5.496 -4.403 3.108 115 1HD1 LEU 14 1HD1 LEU 14 4.509 -6.013 5.279 116 2HD1 LEU 14 2HD1 LEU 14 5.509 -6.473 3.902 117 3HD1 LEU 14 3HD1 LEU 14 3.752 -6.483 3.757 118 1HD2 LEU 14 1HD2 LEU 14 2.509 -4.459 3.475 119 2HD2 LEU 14 2HD2 LEU 14 3.415 -4.773 1.996 120 3HD2 LEU 14 3HD2 LEU 14 3.384 -3.149 2.683 121 H ILE 15 H ILE 15 5.704 -2.755 8.003 122 HA ILE 15 HA ILE 15 6.410 -5.315 9.221 123 HB ILE 15 HB ILE 15 7.457 -3.271 10.115 124 1HG1 ILE 15 2HG1 ILE 15 5.714 -4.123 12.355 125 2HG1 ILE 15 1HG1 ILE 15 6.561 -5.407 11.498 126 1HG2 ILE 15 1HG2 ILE 15 6.217 -1.608 11.295 127 2HG2 ILE 15 2HG2 ILE 15 4.719 -2.519 11.114 128 3HG2 ILE 15 3HG2 ILE 15 5.486 -1.794 9.701 129 1HD1 ILE 15 1HD1 ILE 15 8.048 -3.005 12.459 130 2HD1 ILE 15 2HD1 ILE 15 8.639 -4.634 12.137 131 3HD1 ILE 15 3HD1 ILE 15 7.654 -4.320 13.565 132 H LYS 16 H LYS 16 3.736 -2.952 9.290 133 HA LYS 16 HA LYS 16 1.858 -5.107 9.714 134 1HB LYS 16 2HB LYS 16 2.770 -4.356 12.002 135 2HB LYS 16 1HB LYS 16 1.849 -2.882 11.737 136 1HG LYS 16 2HG LYS 16 0.046 -3.881 12.536 137 2HG LYS 16 1HG LYS 16 0.113 -5.041 11.207 138 1HD LYS 16 2HD LYS 16 0.331 -6.553 12.864 139 2HD LYS 16 1HD LYS 16 2.020 -6.043 12.848 140 1HE LYS 16 2HE LYS 16 0.064 -4.537 14.518 141 2HE LYS 16 1HE LYS 16 0.651 -6.100 15.087 142 1HZ LYS 16 1HZ LYS 16 2.693 -5.285 15.486 143 2HZ LYS 16 2HZ LYS 16 1.893 -3.797 15.564 144 3HZ LYS 16 3HZ LYS 16 2.685 -4.257 14.142 145 H ALA 17 H ALA 17 -0.039 -4.693 8.785 146 HA ALA 17 HA ALA 17 -0.568 -1.932 7.898 147 1HB ALA 17 1HB ALA 17 -1.709 -4.370 6.574 148 2HB ALA 17 2HB ALA 17 -0.095 -3.786 6.174 149 3HB ALA 17 3HB ALA 17 -1.497 -2.750 5.916 150 H ILE 18 H ILE 18 -2.729 -1.156 7.981 151 HA ILE 18 HA ILE 18 -4.198 -1.828 10.238 152 HB ILE 18 HB ILE 18 -4.422 0.287 8.859 153 1HG1 ILE 18 2HG1 ILE 18 -7.184 -0.676 9.300 154 2HG1 ILE 18 1HG1 ILE 18 -6.089 -0.842 10.667 155 1HG2 ILE 18 1HG2 ILE 18 -4.785 -0.840 6.693 156 2HG2 ILE 18 2HG2 ILE 18 -6.038 0.340 7.072 157 3HG2 ILE 18 3HG2 ILE 18 -6.359 -1.381 7.268 158 1HD1 ILE 18 1HD1 ILE 18 -7.399 1.256 10.664 159 2HD1 ILE 18 2HD1 ILE 18 -6.565 1.730 9.184 160 3HD1 ILE 18 3HD1 ILE 18 -5.654 1.509 10.679 161 H ASP 19 H ASP 19 -4.599 -2.870 6.899 162 HA ASP 19 HA ASP 19 -5.342 -5.442 7.352 163 1HB ASP 19 2HB ASP 19 -7.910 -5.225 6.931 164 2HB ASP 19 1HB ASP 19 -7.280 -5.023 8.561 165 H GLY 20 H GLY 20 -7.810 -4.108 5.395 166 1HA GLY 20 2HA GLY 20 -6.342 -4.942 3.021 167 2HA GLY 20 1HA GLY 20 -8.068 -4.647 3.125 168 H ASP 21 H ASP 21 -6.994 -2.031 4.638 169 HA ASP 21 HA ASP 21 -7.083 -0.473 2.172 170 1HB ASP 21 2HB ASP 21 -7.439 0.283 5.068 171 2HB ASP 21 1HB ASP 21 -7.411 1.464 3.761 172 H THR 22 H THR 22 -5.457 0.459 5.172 173 HA THR 22 HA THR 22 -3.182 1.343 3.580 174 HB THR 22 HB THR 22 -4.303 2.901 5.150 175 HG1 THR 22 1HG THR 22 -1.633 2.340 5.909 176 1HG2 THR 22 1HG2 THR 22 -4.921 1.989 7.106 177 2HG2 THR 22 2HG2 THR 22 -3.304 2.497 7.594 178 3HG2 THR 22 3HG2 THR 22 -3.596 0.826 7.112 179 H VAL 23 H VAL 23 -1.007 1.081 4.356 180 HA VAL 23 HA VAL 23 -0.486 -1.126 6.170 181 HB VAL 23 HB VAL 23 -0.677 -2.326 4.100 182 1HG1 VAL 23 1HG1 VAL 23 1.203 -0.259 2.979 183 2HG1 VAL 23 2HG1 VAL 23 -0.471 -0.555 2.507 184 3HG1 VAL 23 3HG1 VAL 23 0.771 -1.757 2.156 185 1HG2 VAL 23 1HG2 VAL 23 2.221 -2.293 4.017 186 2HG2 VAL 23 2HG2 VAL 23 1.120 -3.572 4.532 187 3HG2 VAL 23 3HG2 VAL 23 1.606 -2.318 5.671 188 H LYS 24 H LYS 24 1.329 -0.806 7.326 189 HA LYS 24 HA LYS 24 2.811 1.635 6.887 190 1HB LYS 24 2HB LYS 24 2.044 0.551 9.146 191 2HB LYS 24 1HB LYS 24 3.524 -0.384 8.983 192 1HG LYS 24 2HG LYS 24 4.828 1.672 8.905 193 2HG LYS 24 1HG LYS 24 3.347 2.621 9.035 194 1HD LYS 24 2HD LYS 24 2.931 1.300 11.200 195 2HD LYS 24 1HD LYS 24 4.636 0.855 11.091 196 1HE LYS 24 2HE LYS 24 5.355 3.043 11.385 197 2HE LYS 24 1HE LYS 24 3.805 3.722 10.893 198 1HZ LYS 24 1HZ LYS 24 4.583 3.531 13.424 199 2HZ LYS 24 2HZ LYS 24 3.765 2.058 13.273 200 3HZ LYS 24 3HZ LYS 24 2.958 3.510 12.952 201 H LEU 25 H LEU 25 4.978 1.827 6.401 202 HA LEU 25 HA LEU 25 6.415 -0.635 5.693 203 1HB LEU 25 2HB LEU 25 6.111 1.835 3.996 204 2HB LEU 25 1HB LEU 25 7.338 0.616 3.705 205 HG LEU 25 HG LEU 25 4.598 -0.438 3.894 206 1HD1 LEU 25 1HD1 LEU 25 4.703 1.915 2.589 207 2HD1 LEU 25 2HD1 LEU 25 3.623 0.593 2.146 208 3HD1 LEU 25 3HD1 LEU 25 5.148 0.813 1.285 209 1HD2 LEU 25 1HD2 LEU 25 6.405 -1.877 3.263 210 2HD2 LEU 25 2HD2 LEU 25 6.905 -0.770 1.985 211 3HD2 LEU 25 3HD2 LEU 25 5.375 -1.635 1.852 212 H MET 26 H MET 26 8.673 -0.538 5.845 213 HA MET 26 HA MET 26 9.667 1.734 7.432 214 1HB MET 26 2HB MET 26 9.728 -0.415 8.607 215 2HB MET 26 1HB MET 26 10.670 -1.116 7.298 216 1HG MET 26 2HG MET 26 12.369 0.747 7.821 217 2HG MET 26 1HG MET 26 11.498 0.894 9.347 218 1HE MET 26 1HE MET 26 14.536 -1.464 7.741 219 2HE MET 26 2HE MET 26 15.052 -0.965 9.351 220 3HE MET 26 3HE MET 26 14.364 0.218 8.239 221 H TYR 27 H TYR 27 10.443 3.108 5.894 222 HA TYR 27 HA TYR 27 12.358 2.037 3.940 223 1HB TYR 27 2HB TYR 27 10.359 3.379 3.147 224 2HB TYR 27 1HB TYR 27 11.096 4.780 3.921 225 HD1 TYR 27 1HD TYR 27 12.352 6.169 2.581 226 HD2 TYR 27 2HD TYR 27 12.053 2.055 1.541 227 HE1 TYR 27 1HE TYR 27 13.681 6.591 0.555 228 HE2 TYR 27 2HE TYR 27 13.380 2.465 -0.488 229 HH TYR 27 HH TYR 27 15.179 4.296 -1.174 230 H LYS 28 H LYS 28 14.357 2.072 4.758 231 HA LYS 28 HA LYS 28 16.298 2.817 5.679 232 1HB LYS 28 2HB LYS 28 15.139 5.511 4.941 233 2HB LYS 28 1HB LYS 28 16.810 5.230 5.411 234 1HG LYS 28 2HG LYS 28 15.917 3.517 3.226 235 2HG LYS 28 1HG LYS 28 15.854 5.241 2.851 236 1HD LYS 28 2HD LYS 28 18.220 5.398 3.696 237 2HD LYS 28 1HD LYS 28 18.236 3.635 3.758 238 1HE LYS 28 2HE LYS 28 19.044 3.847 1.662 239 2HE LYS 28 1HE LYS 28 17.337 3.997 1.253 240 1HZ LYS 28 1HZ LYS 28 17.702 6.480 1.596 241 2HZ LYS 28 2HZ LYS 28 18.352 5.786 0.196 242 3HZ LYS 28 3HZ LYS 28 19.359 6.136 1.511 243 H GLY 29 H GLY 29 13.958 2.447 7.397 244 1HA GLY 29 2HA GLY 29 13.862 2.534 9.739 245 2HA GLY 29 1HA GLY 29 14.997 3.874 9.716 246 H GLN 30 H GLN 30 13.022 4.936 7.489 247 HA GLN 30 HA GLN 30 11.503 6.542 9.359 248 1HB GLN 30 2HB GLN 30 12.700 7.406 7.264 249 2HB GLN 30 1HB GLN 30 11.372 6.701 6.354 250 1HG GLN 30 2HG GLN 30 10.287 8.608 6.632 251 2HG GLN 30 1HG GLN 30 10.136 8.194 8.339 252 1HE2 GLN 30 1HE2 GLN 30 12.823 8.450 9.072 253 2HE2 GLN 30 2HE2 GLN 30 13.256 10.120 8.991 254 HA PRO 31 HA PRO 31 7.935 3.866 9.005 255 1HB PRO 31 2HB PRO 31 6.171 5.486 10.301 256 2HB PRO 31 1HB PRO 31 7.373 4.498 11.140 257 1HG PRO 31 2HG PRO 31 7.466 7.408 10.442 258 2HG PRO 31 1HG PRO 31 7.938 6.603 11.951 259 1HD PRO 31 2HD PRO 31 9.751 7.372 10.106 260 2HD PRO 31 1HD PRO 31 9.970 5.915 11.096 261 H MET 32 H MET 32 7.636 3.999 6.753 262 HA MET 32 HA MET 32 6.351 6.298 5.579 263 1HB MET 32 2HB MET 32 7.978 5.006 4.289 264 2HB MET 32 1HB MET 32 6.972 3.572 4.428 265 1HG MET 32 2HG MET 32 6.487 4.325 2.309 266 2HG MET 32 1HG MET 32 5.168 4.999 3.264 267 1HE MET 32 1HE MET 32 6.233 5.528 0.476 268 2HE MET 32 2HE MET 32 6.976 7.100 0.184 269 3HE MET 32 3HE MET 32 5.266 6.998 0.607 270 H THR 33 H THR 33 4.243 6.665 5.605 271 HA THR 33 HA THR 33 2.416 4.517 6.336 272 HB THR 33 HB THR 33 1.660 7.390 5.856 273 HG1 THR 33 1HG THR 33 2.147 7.772 8.026 274 1HG2 THR 33 1HG2 THR 33 -0.215 5.940 6.215 275 2HG2 THR 33 2HG2 THR 33 0.027 6.946 7.644 276 3HG2 THR 33 3HG2 THR 33 0.541 5.258 7.655 277 H PHE 34 H PHE 34 1.327 3.404 4.869 278 HA PHE 34 HA PHE 34 1.040 4.530 2.168 279 1HB PHE 34 2HB PHE 34 2.210 2.267 2.611 280 2HB PHE 34 1HB PHE 34 0.588 1.643 2.888 281 HD1 PHE 34 1HD PHE 34 2.620 3.476 0.371 282 HD2 PHE 34 2HD PHE 34 -0.688 0.900 1.107 283 HE1 PHE 34 1HE PHE 34 2.331 3.161 -2.052 284 HE2 PHE 34 2HE PHE 34 -0.981 0.580 -1.316 285 HZ PHE 34 HZ PHE 34 0.530 1.711 -2.897 286 H ARG 35 H ARG 35 -0.734 5.761 3.495 287 HA ARG 35 HA ARG 35 -3.135 4.415 4.136 288 1HB ARG 35 2HB ARG 35 -2.389 7.277 3.664 289 2HB ARG 35 1HB ARG 35 -4.084 6.833 3.814 290 1HG ARG 35 2HG ARG 35 -3.169 5.606 5.985 291 2HG ARG 35 1HG ARG 35 -1.941 6.868 5.854 292 1HD ARG 35 2HD ARG 35 -3.386 8.513 6.390 293 2HD ARG 35 1HD ARG 35 -4.720 7.770 5.508 294 HE ARG 35 HE ARG 35 -4.090 7.452 8.295 295 1HH1 ARG 35 1HH1 ARG 35 -5.696 6.030 5.543 296 2HH1 ARG 35 2HH1 ARG 35 -6.785 5.089 6.505 297 1HH2 ARG 35 1HH2 ARG 35 -5.521 6.216 9.563 298 2HH2 ARG 35 2HH2 ARG 35 -6.686 5.196 8.788 299 H LEU 36 H LEU 36 -3.816 3.102 2.472 300 HA LEU 36 HA LEU 36 -4.526 4.440 -0.052 301 1HB LEU 36 2HB LEU 36 -2.977 2.279 0.184 302 2HB LEU 36 1HB LEU 36 -4.535 1.477 0.167 303 HG LEU 36 HG LEU 36 -5.016 2.726 -1.991 304 1HD1 LEU 36 1HD1 LEU 36 -3.554 4.424 -2.295 305 2HD1 LEU 36 2HD1 LEU 36 -2.629 3.164 -3.111 306 3HD1 LEU 36 3HD1 LEU 36 -2.246 3.601 -1.446 307 1HD2 LEU 36 1HD2 LEU 36 -4.127 0.300 -1.639 308 2HD2 LEU 36 2HD2 LEU 36 -2.642 0.948 -2.332 309 3HD2 LEU 36 3HD2 LEU 36 -4.144 1.008 -3.254 310 H LEU 37 H LEU 37 -6.464 5.277 0.899 311 HA LEU 37 HA LEU 37 -8.529 3.280 1.503 312 1HB LEU 37 2HB LEU 37 -8.188 6.178 2.176 313 2HB LEU 37 1HB LEU 37 -9.789 5.467 2.182 314 HG LEU 37 HG LEU 37 -8.690 5.557 4.421 315 1HD1 LEU 37 1HD1 LEU 37 -10.345 3.696 3.411 316 2HD1 LEU 37 2HD1 LEU 37 -9.789 3.705 5.085 317 3HD1 LEU 37 3HD1 LEU 37 -8.992 2.674 3.897 318 1HD2 LEU 37 1HD2 LEU 37 -6.402 5.118 3.742 319 2HD2 LEU 37 2HD2 LEU 37 -6.854 3.504 3.193 320 3HD2 LEU 37 3HD2 LEU 37 -6.937 3.908 4.907 321 H LEU 38 H LEU 38 -10.117 2.884 0.103 322 HA LEU 38 HA LEU 38 -10.201 4.352 -2.388 323 1HB LEU 38 2HB LEU 38 -11.193 1.773 -1.384 324 2HB LEU 38 1HB LEU 38 -12.266 2.567 -2.521 325 HG LEU 38 HG LEU 38 -9.381 2.301 -3.234 326 1HD1 LEU 38 1HD1 LEU 38 -11.410 0.077 -3.367 327 2HD1 LEU 38 2HD1 LEU 38 -9.887 0.081 -2.478 328 3HD1 LEU 38 3HD1 LEU 38 -9.878 0.089 -4.241 329 1HD2 LEU 38 1HD2 LEU 38 -11.995 2.357 -4.725 330 2HD2 LEU 38 2HD2 LEU 38 -10.453 1.975 -5.492 331 3HD2 LEU 38 3HD2 LEU 38 -10.702 3.555 -4.749 332 H VAL 39 H VAL 39 -12.699 4.452 -3.222 333 HA VAL 39 HA VAL 39 -13.809 6.656 -1.848 334 HB VAL 39 HB VAL 39 -15.238 4.908 -3.852 335 1HG1 VAL 39 1HG1 VAL 39 -15.561 7.853 -3.333 336 2HG1 VAL 39 2HG1 VAL 39 -16.544 6.619 -2.544 337 3HG1 VAL 39 3HG1 VAL 39 -16.595 6.800 -4.298 338 1HG2 VAL 39 1HG2 VAL 39 -14.343 6.971 -5.324 339 2HG2 VAL 39 2HG2 VAL 39 -13.482 5.440 -5.173 340 3HG2 VAL 39 3HG2 VAL 39 -13.010 6.817 -4.178 341 H ASP 40 H ASP 40 -15.054 6.708 -0.105 342 HA ASP 40 HA ASP 40 -16.139 4.255 0.980 343 1HB ASP 40 2HB ASP 40 -15.101 6.500 2.139 344 2HB ASP 40 1HB ASP 40 -16.830 6.794 2.309 345 H THR 41 H THR 41 -18.002 3.524 0.201 346 HA THR 41 HA THR 41 -20.283 5.342 0.089 347 HB THR 41 HB THR 41 -20.966 4.317 -2.117 348 HG1 THR 41 1HG THR 41 -19.592 3.091 -3.192 349 1HG2 THR 41 1HG2 THR 41 -19.941 5.902 -3.384 350 2HG2 THR 41 2HG2 THR 41 -18.374 5.675 -2.604 351 3HG2 THR 41 3HG2 THR 41 -19.653 6.561 -1.773 352 HA PRO 42 HA PRO 42 -22.430 1.897 1.813 353 1HB PRO 42 2HB PRO 42 -24.953 2.280 0.924 354 2HB PRO 42 1HB PRO 42 -24.202 3.340 2.124 355 1HG PRO 42 2HG PRO 42 -24.537 3.753 -0.822 356 2HG PRO 42 1HG PRO 42 -24.781 4.906 0.504 357 1HD PRO 42 2HD PRO 42 -22.530 4.856 -1.020 358 2HD PRO 42 1HD PRO 42 -22.537 5.373 0.677 359 H GLU 43 H GLU 43 -20.979 0.843 -0.122 360 HA GLU 43 HA GLU 43 -22.631 -1.243 -1.162 361 1HB GLU 43 2HB GLU 43 -21.718 0.954 -2.940 362 2HB GLU 43 1HB GLU 43 -21.575 -0.683 -3.563 363 1HG GLU 43 2HG GLU 43 -24.036 -0.935 -2.860 364 2HG GLU 43 1HG GLU 43 -24.037 0.827 -2.789 365 H THR 44 H THR 44 -19.499 0.402 -1.386 366 HA THR 44 HA THR 44 -18.167 -2.194 -1.669 367 HB THR 44 HB THR 44 -17.549 -0.431 -3.269 368 HG1 THR 44 1HG THR 44 -15.448 -0.978 -1.445 369 1HG2 THR 44 1HG2 THR 44 -17.017 1.655 -2.744 370 2HG2 THR 44 2HG2 THR 44 -15.935 1.140 -1.449 371 3HG2 THR 44 3HG2 THR 44 -17.664 1.309 -1.141 372 H LYS 45 H LYS 45 -19.375 -1.160 0.849 373 HA LYS 45 HA LYS 45 -17.038 -0.704 2.532 374 1HB LYS 45 2HB LYS 45 -19.866 -0.102 2.699 375 2HB LYS 45 1HB LYS 45 -19.308 -0.902 4.162 376 1HG LYS 45 2HG LYS 45 -17.363 1.020 3.556 377 2HG LYS 45 1HG LYS 45 -18.923 1.806 3.304 378 1HD LYS 45 2HD LYS 45 -18.484 0.174 5.766 379 2HD LYS 45 1HD LYS 45 -17.803 1.798 5.674 380 1HE LYS 45 2HE LYS 45 -19.920 2.031 6.697 381 2HE LYS 45 1HE LYS 45 -20.111 2.597 5.038 382 1HZ LYS 45 1HZ LYS 45 -21.267 0.681 4.442 383 2HZ LYS 45 2HZ LYS 45 -21.884 1.053 5.971 384 3HZ LYS 45 3HZ LYS 45 -20.748 -0.187 5.799 385 H HIS 46 H HIS 46 -19.914 -2.796 2.796 386 HA HIS 46 HA HIS 46 -20.185 -4.921 3.559 387 1HB HIS 46 2HB HIS 46 -17.595 -4.946 2.160 388 2HB HIS 46 1HB HIS 46 -17.814 -6.254 3.317 389 HD1 HIS 46 1HD HIS 46 -20.471 -7.325 2.953 390 HD2 HIS 46 2HD HIS 46 -18.380 -5.765 -0.282 391 HE1 HIS 46 1HE HIS 46 -21.528 -8.345 0.912 392 HE2 HIS 46 2HE HIS 46 -20.191 -7.454 -1.027 393 HA PRO 47 HA PRO 47 -18.033 -3.991 7.547 394 1HB PRO 47 2HB PRO 47 -20.117 -3.174 8.995 395 2HB PRO 47 1HB PRO 47 -19.332 -2.089 7.841 396 1HG PRO 47 2HG PRO 47 -21.885 -3.617 7.572 397 2HG PRO 47 1HG PRO 47 -21.502 -1.973 7.038 398 1HD PRO 47 2HD PRO 47 -21.484 -4.235 5.419 399 2HD PRO 47 1HD PRO 47 -20.663 -2.706 5.052 400 H LYS 48 H LYS 48 -19.789 -6.393 6.354 401 HA LYS 48 HA LYS 48 -20.299 -7.659 8.959 402 1HB LYS 48 2HB LYS 48 -22.305 -7.478 7.599 403 2HB LYS 48 1HB LYS 48 -21.499 -8.264 6.250 404 1HG LYS 48 2HG LYS 48 -21.185 -10.137 8.176 405 2HG LYS 48 1HG LYS 48 -22.722 -9.417 8.658 406 1HD LYS 48 2HD LYS 48 -22.343 -10.073 5.786 407 2HD LYS 48 1HD LYS 48 -22.579 -11.414 6.910 408 1HE LYS 48 2HE LYS 48 -24.752 -10.949 6.332 409 2HE LYS 48 1HE LYS 48 -24.569 -9.942 7.767 410 1HZ LYS 48 1HZ LYS 48 -24.228 -8.984 4.976 411 2HZ LYS 48 2HZ LYS 48 -24.181 -8.036 6.377 412 3HZ LYS 48 3HZ LYS 48 -25.628 -8.773 5.902 413 H LYS 49 H LYS 49 -19.909 -9.223 5.803 414 HA LYS 49 HA LYS 49 -17.709 -10.788 6.963 415 1HB LYS 49 2HB LYS 49 -20.011 -11.470 5.319 416 2HB LYS 49 1HB LYS 49 -18.510 -12.074 4.630 417 1HG LYS 49 2HG LYS 49 -18.305 -13.657 6.185 418 2HG LYS 49 1HG LYS 49 -18.722 -12.550 7.495 419 1HD LYS 49 2HD LYS 49 -20.392 -14.265 7.408 420 2HD LYS 49 1HD LYS 49 -21.115 -12.767 6.819 421 1HE LYS 49 2HE LYS 49 -21.845 -14.347 5.281 422 2HE LYS 49 1HE LYS 49 -20.448 -13.624 4.483 423 1HZ LYS 49 1HZ LYS 49 -19.104 -15.491 5.226 424 2HZ LYS 49 2HZ LYS 49 -20.414 -16.028 4.300 425 3HZ LYS 49 3HZ LYS 49 -20.448 -16.187 5.983 426 H GLY 50 H GLY 50 -18.706 -8.965 4.111 427 1HA GLY 50 2HA GLY 50 -17.458 -7.945 2.475 428 2HA GLY 50 1HA GLY 50 -16.061 -8.155 3.517 429 H VAL 51 H VAL 51 -18.039 -10.792 2.336 430 HA VAL 51 HA VAL 51 -15.735 -12.001 1.116 431 HB VAL 51 HB VAL 51 -17.276 -13.344 2.514 432 1HG1 VAL 51 1HG1 VAL 51 -19.258 -13.462 0.308 433 2HG1 VAL 51 2HG1 VAL 51 -19.304 -12.066 1.384 434 3HG1 VAL 51 3HG1 VAL 51 -19.477 -13.692 2.043 435 1HG2 VAL 51 1HG2 VAL 51 -17.648 -14.720 -0.017 436 2HG2 VAL 51 2HG2 VAL 51 -16.648 -15.153 1.370 437 3HG2 VAL 51 3HG2 VAL 51 -16.027 -14.043 0.147 438 H GLU 52 H GLU 52 -16.972 -9.600 -0.103 439 HA GLU 52 HA GLU 52 -18.496 -10.127 -2.351 440 1HB GLU 52 2HB GLU 52 -17.727 -7.856 -1.536 441 2HB GLU 52 1HB GLU 52 -16.172 -8.191 -2.283 442 1HG GLU 52 2HG GLU 52 -17.006 -7.212 -4.093 443 2HG GLU 52 1HG GLU 52 -17.936 -8.692 -4.319 444 H LYS 53 H LYS 53 -15.152 -10.681 -1.682 445 HA LYS 53 HA LYS 53 -14.881 -12.132 -4.212 446 1HB LYS 53 2HB LYS 53 -13.375 -9.890 -3.381 447 2HB LYS 53 1HB LYS 53 -12.318 -11.285 -3.231 448 1HG LYS 53 2HG LYS 53 -13.802 -10.431 -5.707 449 2HG LYS 53 1HG LYS 53 -12.069 -10.272 -5.409 450 1HD LYS 53 2HD LYS 53 -11.666 -12.420 -5.925 451 2HD LYS 53 1HD LYS 53 -13.091 -12.993 -5.058 452 1HE LYS 53 2HE LYS 53 -14.024 -13.381 -7.041 453 2HE LYS 53 1HE LYS 53 -14.112 -11.634 -7.259 454 1HZ LYS 53 1HZ LYS 53 -12.133 -11.624 -8.480 455 2HZ LYS 53 2HZ LYS 53 -12.979 -12.964 -9.070 456 3HZ LYS 53 3HZ LYS 53 -11.698 -13.183 -7.987 457 H TYR 54 H TYR 54 -14.315 -12.030 -0.718 458 HA TYR 54 HA TYR 54 -14.163 -14.828 -0.568 459 1HB TYR 54 2HB TYR 54 -11.818 -13.904 -1.528 460 2HB TYR 54 1HB TYR 54 -11.494 -13.824 0.200 461 HD1 TYR 54 1HD TYR 54 -11.021 -15.763 1.433 462 HD2 TYR 54 2HD TYR 54 -12.499 -16.113 -2.537 463 HE1 TYR 54 1HE TYR 54 -10.522 -18.174 1.467 464 HE2 TYR 54 2HE TYR 54 -12.006 -18.523 -2.518 465 HH TYR 54 HH TYR 54 -10.055 -19.987 -0.807 466 H GLY 55 H GLY 55 -13.658 -11.691 0.853 467 1HA GLY 55 2HA GLY 55 -14.332 -10.961 2.940 468 2HA GLY 55 1HA GLY 55 -14.787 -12.606 3.336 469 HA PRO 56 HA PRO 56 -11.543 -12.753 6.367 470 1HB PRO 56 2HB PRO 56 -10.716 -15.376 5.560 471 2HB PRO 56 1HB PRO 56 -11.699 -14.927 6.954 472 1HG PRO 56 2HG PRO 56 -12.538 -15.907 4.291 473 2HG PRO 56 1HG PRO 56 -13.362 -16.044 5.853 474 1HD PRO 56 2HD PRO 56 -14.248 -14.376 3.956 475 2HD PRO 56 1HD PRO 56 -14.315 -13.932 5.672 476 H GLU 57 H GLU 57 -10.988 -13.587 2.988 477 HA GLU 57 HA GLU 57 -8.128 -13.433 3.227 478 1HB GLU 57 2HB GLU 57 -9.355 -14.844 1.530 479 2HB GLU 57 1HB GLU 57 -9.722 -13.358 0.672 480 1HG GLU 57 2HG GLU 57 -7.856 -14.069 -0.438 481 2HG GLU 57 1HG GLU 57 -7.150 -12.990 0.766 482 H ALA 58 H ALA 58 -10.732 -11.213 2.388 483 HA ALA 58 HA ALA 58 -9.590 -9.199 1.002 484 1HB ALA 58 1HB ALA 58 -11.275 -7.903 1.748 485 2HB ALA 58 2HB ALA 58 -10.897 -8.208 3.444 486 3HB ALA 58 3HB ALA 58 -11.825 -9.389 2.522 487 H SER 59 H SER 59 -9.352 -9.313 4.569 488 HA SER 59 HA SER 59 -7.193 -7.389 4.530 489 1HB SER 59 2HB SER 59 -8.231 -8.901 6.930 490 2HB SER 59 1HB SER 59 -7.373 -7.361 6.909 491 HG SER 59 HG SER 59 -9.373 -6.646 7.014 492 H ALA 60 H ALA 60 -7.637 -10.783 5.478 493 HA ALA 60 HA ALA 60 -5.139 -11.408 6.413 494 1HB ALA 60 1HB ALA 60 -6.732 -13.232 4.624 495 2HB ALA 60 2HB ALA 60 -7.136 -12.920 6.311 496 3HB ALA 60 3HB ALA 60 -5.601 -13.684 5.898 497 H PHE 61 H PHE 61 -6.116 -10.883 3.094 498 HA PHE 61 HA PHE 61 -3.967 -12.045 1.751 499 1HB PHE 61 2HB PHE 61 -6.043 -11.097 0.696 500 2HB PHE 61 1HB PHE 61 -5.372 -9.489 0.948 501 HD1 PHE 61 1HD PHE 61 -3.733 -8.605 -0.510 502 HD2 PHE 61 2HD PHE 61 -4.902 -12.685 -0.832 503 HE1 PHE 61 1HE PHE 61 -2.537 -8.775 -2.653 504 HE2 PHE 61 2HE PHE 61 -3.707 -12.861 -2.974 505 HZ PHE 61 HZ PHE 61 -2.522 -10.905 -3.887 506 H THR 62 H THR 62 -4.354 -8.624 2.682 507 HA THR 62 HA THR 62 -1.565 -8.081 2.205 508 HB THR 62 HB THR 62 -3.224 -6.166 3.757 509 HG1 THR 62 1HG THR 62 -3.727 -6.716 1.022 510 1HG2 THR 62 1HG2 THR 62 -1.297 -5.136 3.101 511 2HG2 THR 62 2HG2 THR 62 -2.364 -4.717 1.759 512 3HG2 THR 62 3HG2 THR 62 -1.202 -6.032 1.585 513 H LYS 63 H LYS 63 -3.530 -9.066 4.868 514 HA LYS 63 HA LYS 63 -1.854 -8.163 6.972 515 1HB LYS 63 2HB LYS 63 -4.343 -9.055 6.972 516 2HB LYS 63 1HB LYS 63 -3.554 -10.593 7.288 517 1HG LYS 63 2HG LYS 63 -4.135 -9.676 9.386 518 2HG LYS 63 1HG LYS 63 -2.388 -9.486 9.216 519 1HD LYS 63 2HD LYS 63 -2.782 -7.356 9.816 520 2HD LYS 63 1HD LYS 63 -3.291 -7.156 8.139 521 1HE LYS 63 2HE LYS 63 -4.966 -6.230 9.613 522 2HE LYS 63 1HE LYS 63 -5.608 -7.662 8.811 523 1HZ LYS 63 1HZ LYS 63 -5.781 -7.246 11.427 524 2HZ LYS 63 2HZ LYS 63 -4.329 -8.112 11.380 525 3HZ LYS 63 3HZ LYS 63 -5.739 -8.791 10.738 526 H LYS 64 H LYS 64 -1.761 -10.891 4.838 527 HA LYS 64 HA LYS 64 0.100 -12.367 6.500 528 1HB LYS 64 2HB LYS 64 -1.427 -12.882 4.015 529 2HB LYS 64 1HB LYS 64 0.133 -13.684 4.138 530 1HG LYS 64 2HG LYS 64 -1.555 -15.161 4.956 531 2HG LYS 64 1HG LYS 64 -0.577 -14.618 6.322 532 1HD LYS 64 2HD LYS 64 -2.516 -12.734 6.321 533 2HD LYS 64 1HD LYS 64 -3.414 -14.120 5.702 534 1HE LYS 64 2HE LYS 64 -1.696 -14.731 7.992 535 2HE LYS 64 1HE LYS 64 -2.976 -13.569 8.344 536 1HZ LYS 64 1HZ LYS 64 -3.227 -16.357 7.400 537 2HZ LYS 64 2HZ LYS 64 -4.493 -15.252 7.203 538 3HZ LYS 64 3HZ LYS 64 -3.936 -15.629 8.754 539 H MET 65 H MET 65 0.110 -10.152 3.836 540 HA MET 65 HA MET 65 2.723 -10.718 2.875 541 1HB MET 65 2HB MET 65 0.677 -8.632 2.444 542 2HB MET 65 1HB MET 65 2.337 -8.153 2.119 543 1HG MET 65 2HG MET 65 1.171 -8.972 0.123 544 2HG MET 65 1HG MET 65 2.592 -9.936 0.525 545 1HE MET 65 1HE MET 65 -0.052 -10.236 -1.254 546 2HE MET 65 2HE MET 65 -0.877 -11.762 -0.938 547 3HE MET 65 3HE MET 65 0.813 -11.763 -1.441 548 H VAL 66 H VAL 66 1.742 -9.396 5.782 549 HA VAL 66 HA VAL 66 4.201 -7.799 6.031 550 HB VAL 66 HB VAL 66 3.092 -6.731 7.986 551 1HG1 VAL 66 1HG1 VAL 66 1.135 -5.813 6.281 552 2HG1 VAL 66 2HG1 VAL 66 2.362 -6.443 5.183 553 3HG1 VAL 66 3HG1 VAL 66 2.791 -5.216 6.374 554 1HG2 VAL 66 1HG2 VAL 66 1.516 -8.474 8.562 555 2HG2 VAL 66 2HG2 VAL 66 0.686 -8.270 7.020 556 3HG2 VAL 66 3HG2 VAL 66 0.650 -6.977 8.217 557 H GLU 67 H GLU 67 2.181 -10.204 7.677 558 HA GLU 67 HA GLU 67 4.157 -10.543 9.773 559 1HB GLU 67 2HB GLU 67 1.498 -11.870 9.249 560 2HB GLU 67 1HB GLU 67 2.540 -12.282 10.605 561 1HG GLU 67 2HG GLU 67 2.298 -9.517 10.720 562 2HG GLU 67 1HG GLU 67 0.687 -10.096 10.300 563 H ASN 68 H ASN 68 2.481 -12.919 7.709 564 HA ASN 68 HA ASN 68 4.585 -14.827 8.018 565 1HB ASN 68 2HB ASN 68 1.987 -14.711 6.583 566 2HB ASN 68 1HB ASN 68 3.177 -15.862 5.983 567 1HD2 ASN 68 1HD2 ASN 68 0.753 -15.307 8.219 568 2HD2 ASN 68 2HD2 ASN 68 1.031 -16.667 9.248 569 H ALA 69 H ALA 69 3.733 -12.458 5.597 570 HA ALA 69 HA ALA 69 6.044 -13.311 3.982 571 1HB ALA 69 1HB ALA 69 3.335 -12.479 3.267 572 2HB ALA 69 2HB ALA 69 4.518 -13.413 2.348 573 3HB ALA 69 3HB ALA 69 4.597 -11.651 2.350 574 H LYS 70 H LYS 70 7.456 -11.724 3.170 575 HA LYS 70 HA LYS 70 7.123 -8.951 3.755 576 1HB LYS 70 2HB LYS 70 8.663 -10.662 5.621 577 2HB LYS 70 1HB LYS 70 9.416 -9.139 5.164 578 1HG LYS 70 2HG LYS 70 6.924 -8.291 5.755 579 2HG LYS 70 1HG LYS 70 7.073 -9.660 6.858 580 1HD LYS 70 2HD LYS 70 9.473 -8.478 7.222 581 2HD LYS 70 1HD LYS 70 8.478 -7.068 6.847 582 1HE LYS 70 2HE LYS 70 6.867 -7.843 8.593 583 2HE LYS 70 1HE LYS 70 8.028 -9.093 9.034 584 1HZ LYS 70 1HZ LYS 70 8.969 -6.324 8.948 585 2HZ LYS 70 2HZ LYS 70 9.433 -7.592 9.968 586 3HZ LYS 70 3HZ LYS 70 7.977 -6.777 10.243 587 H LYS 71 H LYS 71 7.485 -9.392 1.387 588 HA LYS 71 HA LYS 71 10.322 -8.993 0.806 589 1HB LYS 71 2HB LYS 71 9.321 -11.448 0.409 590 2HB LYS 71 1HB LYS 71 8.841 -10.707 -1.113 591 1HG LYS 71 2HG LYS 71 11.007 -10.429 -1.818 592 2HG LYS 71 1HG LYS 71 11.653 -10.409 -0.177 593 1HD LYS 71 2HD LYS 71 10.908 -12.863 -0.065 594 2HD LYS 71 1HD LYS 71 10.770 -12.760 -1.822 595 1HE LYS 71 2HE LYS 71 13.202 -11.741 -1.580 596 2HE LYS 71 1HE LYS 71 13.184 -12.686 -0.091 597 1HZ LYS 71 1HZ LYS 71 13.233 -14.621 -1.214 598 2HZ LYS 71 2HZ LYS 71 13.916 -13.677 -2.441 599 3HZ LYS 71 3HZ LYS 71 12.269 -14.056 -2.485 600 H ILE 72 H ILE 72 9.706 -6.801 0.506 601 HA ILE 72 HA ILE 72 8.459 -6.326 -2.110 602 HB ILE 72 HB ILE 72 7.915 -4.542 0.252 603 1HG1 ILE 72 2HG1 ILE 72 5.527 -5.685 -0.163 604 2HG1 ILE 72 1HG1 ILE 72 6.561 -7.037 -0.620 605 1HG2 ILE 72 1HG2 ILE 72 7.739 -3.614 -2.057 606 2HG2 ILE 72 2HG2 ILE 72 6.244 -3.551 -1.124 607 3HG2 ILE 72 3HG2 ILE 72 6.458 -4.784 -2.364 608 1HD1 ILE 72 1HD1 ILE 72 6.708 -7.549 1.525 609 2HD1 ILE 72 2HD1 ILE 72 5.869 -6.069 1.986 610 3HD1 ILE 72 3HD1 ILE 72 7.620 -6.061 1.771 611 H GLU 73 H GLU 73 9.153 -4.450 -3.186 612 HA GLU 73 HA GLU 73 11.413 -3.007 -2.003 613 1HB GLU 73 2HB GLU 73 12.053 -4.972 -3.600 614 2HB GLU 73 1HB GLU 73 11.539 -3.873 -4.872 615 1HG GLU 73 2HG GLU 73 13.187 -2.259 -4.225 616 2HG GLU 73 1HG GLU 73 13.629 -3.217 -2.812 617 H VAL 74 H VAL 74 11.748 -0.911 -2.841 618 HA VAL 74 HA VAL 74 9.362 0.215 -4.106 619 HB VAL 74 HB VAL 74 10.462 2.424 -3.520 620 1HG1 VAL 74 1HG1 VAL 74 8.812 2.087 -2.028 621 2HG1 VAL 74 2HG1 VAL 74 10.140 1.773 -0.912 622 3HG1 VAL 74 3HG1 VAL 74 9.310 0.430 -1.696 623 1HG2 VAL 74 1HG2 VAL 74 12.692 0.914 -3.104 624 2HG2 VAL 74 2HG2 VAL 74 12.102 1.146 -1.458 625 3HG2 VAL 74 3HG2 VAL 74 12.445 2.544 -2.477 626 H GLU 75 H GLU 75 9.408 0.249 -6.251 627 HA GLU 75 HA GLU 75 11.958 0.736 -7.621 628 1HB GLU 75 2HB GLU 75 10.437 -1.271 -8.149 629 2HB GLU 75 1HB GLU 75 9.393 -0.104 -8.950 630 1HG GLU 75 2HG GLU 75 12.088 0.269 -9.829 631 2HG GLU 75 1HG GLU 75 11.641 -1.428 -9.991 632 H PHE 76 H PHE 76 11.959 3.014 -7.202 633 HA PHE 76 HA PHE 76 10.989 4.566 -9.309 634 1HB PHE 76 2HB PHE 76 9.249 5.890 -8.295 635 2HB PHE 76 1HB PHE 76 8.797 4.194 -8.173 636 HD1 PHE 76 1HD PHE 76 8.873 3.045 -6.013 637 HD2 PHE 76 2HD PHE 76 9.694 7.204 -6.355 638 HE1 PHE 76 1HE PHE 76 8.561 3.300 -3.586 639 HE2 PHE 76 2HE PHE 76 9.387 7.468 -3.928 640 HZ PHE 76 HZ PHE 76 8.819 5.515 -2.539 641 H ASP 77 H ASP 77 12.151 6.401 -9.430 642 HA ASP 77 HA ASP 77 13.668 7.186 -7.030 643 1HB ASP 77 2HB ASP 77 14.784 6.310 -9.284 644 2HB ASP 77 1HB ASP 77 14.585 7.998 -9.745 645 H LYS 78 H LYS 78 10.967 8.097 -8.238 646 HA LYS 78 HA LYS 78 11.282 10.764 -9.104 647 1HB LYS 78 2HB LYS 78 9.223 9.253 -9.306 648 2HB LYS 78 1HB LYS 78 8.864 9.713 -7.649 649 1HG LYS 78 2HG LYS 78 9.061 12.135 -8.527 650 2HG LYS 78 1HG LYS 78 8.857 11.396 -10.116 651 1HD LYS 78 2HD LYS 78 6.964 10.729 -7.898 652 2HD LYS 78 1HD LYS 78 6.771 12.232 -8.802 653 1HE LYS 78 2HE LYS 78 7.078 10.502 -10.839 654 2HE LYS 78 1HE LYS 78 6.340 9.435 -9.645 655 1HZ LYS 78 1HZ LYS 78 4.400 10.611 -9.653 656 2HZ LYS 78 2HZ LYS 78 4.879 10.852 -11.258 657 3HZ LYS 78 3HZ LYS 78 5.132 12.067 -10.109 658 H GLY 79 H GLY 79 10.988 9.300 -5.929 659 1HA GLY 79 2HA GLY 79 11.320 10.155 -3.826 660 2HA GLY 79 1HA GLY 79 12.213 11.452 -4.604 661 H GLN 80 H GLN 80 8.866 10.855 -5.377 662 HA GLN 80 HA GLN 80 8.163 13.342 -3.958 663 1HB GLN 80 2HB GLN 80 8.050 13.307 -6.508 664 2HB GLN 80 1HB GLN 80 6.691 12.206 -6.332 665 1HG GLN 80 2HG GLN 80 5.985 14.243 -4.662 666 2HG GLN 80 1HG GLN 80 6.836 15.096 -5.949 667 1HE2 GLN 80 1HE2 GLN 80 4.314 12.680 -5.394 668 2HE2 GLN 80 2HE2 GLN 80 3.343 13.123 -6.753 669 H ARG 81 H ARG 81 7.110 12.891 -2.146 670 HA ARG 81 HA ARG 81 5.154 10.688 -2.162 671 1HB ARG 81 2HB ARG 81 6.835 11.818 0.072 672 2HB ARG 81 1HB ARG 81 5.467 10.752 0.359 673 1HG ARG 81 2HG ARG 81 6.518 8.928 -0.597 674 2HG ARG 81 1HG ARG 81 7.645 9.928 -1.511 675 1HD ARG 81 2HD ARG 81 8.068 10.502 1.219 676 2HD ARG 81 1HD ARG 81 7.960 8.749 1.077 677 HE ARG 81 HE ARG 81 9.920 8.740 -0.137 678 1HH1 ARG 81 1HH1 ARG 81 8.824 12.026 0.302 679 2HH1 ARG 81 2HH1 ARG 81 10.308 12.725 -0.250 680 1HH2 ARG 81 1HH2 ARG 81 11.869 9.660 -0.868 681 2HH2 ARG 81 2HH2 ARG 81 12.036 11.385 -0.916 682 H THR 82 H THR 82 5.363 13.998 -2.244 683 HA THR 82 HA THR 82 3.077 14.515 -0.526 684 HB THR 82 HB THR 82 4.116 16.660 -2.283 685 HG1 THR 82 1HG THR 82 6.076 15.845 -1.816 686 1HG2 THR 82 1HG2 THR 82 2.859 16.423 0.297 687 2HG2 THR 82 2HG2 THR 82 3.035 17.831 -0.750 688 3HG2 THR 82 3HG2 THR 82 4.321 17.406 0.380 689 H ASP 83 H ASP 83 1.609 16.359 -1.702 690 HA ASP 83 HA ASP 83 0.140 16.907 -3.384 691 1HB ASP 83 2HB ASP 83 2.049 15.684 -4.884 692 2HB ASP 83 1HB ASP 83 0.691 14.590 -5.131 693 H LYS 84 H LYS 84 0.535 13.399 -2.902 694 HA LYS 84 HA LYS 84 -2.327 12.994 -3.053 695 1HB LYS 84 2HB LYS 84 -0.384 10.891 -2.161 696 2HB LYS 84 1HB LYS 84 -1.888 10.703 -3.052 697 1HG LYS 84 2HG LYS 84 -0.311 12.240 -4.728 698 2HG LYS 84 1HG LYS 84 0.813 11.076 -4.025 699 1HD LYS 84 2HD LYS 84 0.058 9.851 -5.798 700 2HD LYS 84 1HD LYS 84 -1.148 9.391 -4.596 701 1HE LYS 84 2HE LYS 84 -1.563 11.726 -6.436 702 2HE LYS 84 1HE LYS 84 -1.972 10.082 -6.923 703 1HZ LYS 84 1HZ LYS 84 -3.263 10.068 -4.699 704 2HZ LYS 84 2HZ LYS 84 -3.940 10.838 -6.044 705 3HZ LYS 84 3HZ LYS 84 -3.193 11.754 -4.834 706 H TYR 85 H TYR 85 0.071 12.001 -0.601 707 HA TYR 85 HA TYR 85 -1.614 13.089 1.503 708 1HB TYR 85 2HB TYR 85 -2.474 10.795 1.101 709 2HB TYR 85 1HB TYR 85 -0.874 10.158 1.467 710 HD1 TYR 85 1HD TYR 85 -0.315 9.615 3.664 711 HD2 TYR 85 2HD TYR 85 -3.626 12.187 2.946 712 HE1 TYR 85 1HE TYR 85 -0.894 9.527 6.052 713 HE2 TYR 85 2HE TYR 85 -4.215 12.107 5.333 714 HH TYR 85 HH TYR 85 -3.060 11.656 7.500 715 H GLY 86 H GLY 86 1.307 13.041 0.275 716 1HA GLY 86 2HA GLY 86 3.360 13.614 1.143 717 2HA GLY 86 1HA GLY 86 2.591 13.745 2.716 718 H ARG 87 H ARG 87 2.181 10.757 1.088 719 HA ARG 87 HA ARG 87 4.445 9.318 1.607 720 1HB ARG 87 2HB ARG 87 3.231 10.114 4.064 721 2HB ARG 87 1HB ARG 87 3.044 8.374 3.905 722 1HG ARG 87 2HG ARG 87 5.194 8.003 4.330 723 2HG ARG 87 1HG ARG 87 5.717 9.258 3.207 724 1HD ARG 87 2HD ARG 87 6.479 9.936 5.333 725 2HD ARG 87 1HD ARG 87 5.069 10.935 4.987 726 HE ARG 87 HE ARG 87 4.455 8.561 6.480 727 1HH1 ARG 87 1HH1 ARG 87 5.515 11.877 6.699 728 2HH1 ARG 87 2HH1 ARG 87 4.969 12.077 8.329 729 1HH2 ARG 87 1HH2 ARG 87 3.738 8.820 8.628 730 2HH2 ARG 87 2HH2 ARG 87 3.960 10.342 9.426 731 H GLY 88 H GLY 88 0.984 9.455 1.505 732 1HA GLY 88 2HA GLY 88 0.311 6.754 1.506 733 2HA GLY 88 1HA GLY 88 -0.575 8.007 0.653 734 H LEU 89 H LEU 89 1.488 8.764 -1.157 735 HA LEU 89 HA LEU 89 1.167 6.651 -3.089 736 1HB LEU 89 2HB LEU 89 1.067 9.189 -3.500 737 2HB LEU 89 1HB LEU 89 2.819 9.131 -3.467 738 HG LEU 89 HG LEU 89 1.900 9.087 -5.758 739 1HD1 LEU 89 1HD1 LEU 89 3.188 6.447 -5.131 740 2HD1 LEU 89 2HD1 LEU 89 4.069 7.973 -5.078 741 3HD1 LEU 89 3HD1 LEU 89 3.345 7.426 -6.589 742 1HD2 LEU 89 1HD2 LEU 89 1.007 6.290 -5.483 743 2HD2 LEU 89 2HD2 LEU 89 0.385 7.587 -6.502 744 3HD2 LEU 89 3HD2 LEU 89 -0.056 7.519 -4.796 745 H ALA 90 H ALA 90 2.454 4.930 -3.004 746 HA ALA 90 HA ALA 90 5.344 5.351 -2.947 747 1HB ALA 90 1HB ALA 90 4.344 4.814 -0.608 748 2HB ALA 90 2HB ALA 90 5.798 3.975 -1.149 749 3HB ALA 90 3HB ALA 90 4.232 3.171 -1.234 750 H TYR 91 H TYR 91 6.141 4.358 -4.673 751 HA TYR 91 HA TYR 91 4.660 2.248 -5.985 752 1HB TYR 91 2HB TYR 91 6.568 4.199 -6.775 753 2HB TYR 91 1HB TYR 91 7.260 2.619 -7.132 754 HD1 TYR 91 1HD TYR 91 3.984 4.393 -7.486 755 HD2 TYR 91 2HD TYR 91 6.822 1.737 -9.214 756 HE1 TYR 91 1HE TYR 91 2.612 4.262 -9.522 757 HE2 TYR 91 2HE TYR 91 5.459 1.599 -11.255 758 HH TYR 91 HH TYR 91 3.497 3.493 -12.291 759 H ILE 92 H ILE 92 4.745 0.456 -4.671 760 HA ILE 92 HA ILE 92 7.423 -0.643 -4.120 761 HB ILE 92 HB ILE 92 6.373 -1.970 -2.341 762 1HG1 ILE 92 2HG1 ILE 92 3.901 -0.352 -2.346 763 2HG1 ILE 92 1HG1 ILE 92 4.023 -1.545 -3.634 764 1HG2 ILE 92 1HG2 ILE 92 7.241 -0.167 -1.306 765 2HG2 ILE 92 2HG2 ILE 92 5.546 0.227 -1.029 766 3HG2 ILE 92 3HG2 ILE 92 6.416 0.974 -2.368 767 1HD1 ILE 92 1HD1 ILE 92 4.334 -2.149 -0.705 768 2HD1 ILE 92 2HD1 ILE 92 4.295 -3.314 -2.029 769 3HD1 ILE 92 3HD1 ILE 92 2.853 -2.377 -1.636 770 H TYR 93 H TYR 93 7.668 -2.970 -4.259 771 HA TYR 93 HA TYR 93 5.746 -4.284 -6.053 772 1HB TYR 93 2HB TYR 93 8.729 -4.056 -6.391 773 2HB TYR 93 1HB TYR 93 7.820 -5.369 -7.132 774 HD1 TYR 93 1HD TYR 93 7.688 -1.639 -6.852 775 HD2 TYR 93 2HD TYR 93 7.088 -5.070 -9.297 776 HE1 TYR 93 1HE TYR 93 7.146 -0.181 -8.756 777 HE2 TYR 93 2HE TYR 93 6.543 -3.620 -11.208 778 HH TYR 93 HH TYR 93 7.318 -0.717 -11.593 779 H ALA 94 H ALA 94 4.934 -5.476 -4.319 780 HA ALA 94 HA ALA 94 6.666 -7.032 -2.636 781 1HB ALA 94 1HB ALA 94 4.316 -6.006 -2.126 782 2HB ALA 94 2HB ALA 94 4.801 -7.536 -1.398 783 3HB ALA 94 3HB ALA 94 3.732 -7.528 -2.800 784 H ASP 95 H ASP 95 7.038 -9.190 -2.669 785 HA ASP 95 HA ASP 95 7.489 -11.200 -3.629 786 1HB ASP 95 2HB ASP 95 5.582 -12.540 -4.143 787 2HB ASP 95 1HB ASP 95 5.105 -11.444 -2.851 788 H GLY 96 H GLY 96 7.989 -8.883 -5.298 789 1HA GLY 96 2HA GLY 96 9.019 -8.852 -7.412 790 2HA GLY 96 1HA GLY 96 8.120 -10.295 -7.848 791 H LYS 97 H LYS 97 5.525 -9.317 -7.115 792 HA LYS 97 HA LYS 97 5.166 -7.013 -8.878 793 1HB LYS 97 2HB LYS 97 3.668 -9.623 -9.162 794 2HB LYS 97 1HB LYS 97 3.278 -8.141 -10.023 795 1HG LYS 97 2HG LYS 97 5.076 -8.313 -11.422 796 2HG LYS 97 1HG LYS 97 6.035 -9.224 -10.253 797 1HD LYS 97 2HD LYS 97 5.534 -10.928 -11.669 798 2HD LYS 97 1HD LYS 97 4.091 -11.003 -10.657 799 1HE LYS 97 2HE LYS 97 3.344 -11.078 -12.903 800 2HE LYS 97 1HE LYS 97 2.987 -9.457 -12.311 801 1HZ LYS 97 1HZ LYS 97 5.145 -8.773 -13.367 802 2HZ LYS 97 2HZ LYS 97 3.915 -9.206 -14.444 803 3HZ LYS 97 3HZ LYS 97 5.177 -10.285 -14.125 804 H MET 98 H MET 98 3.516 -5.673 -8.344 805 HA MET 98 HA MET 98 2.533 -5.676 -5.733 806 1HB MET 98 2HB MET 98 1.785 -4.196 -8.231 807 2HB MET 98 1HB MET 98 0.810 -4.012 -6.779 808 1HG MET 98 2HG MET 98 2.541 -3.018 -5.589 809 2HG MET 98 1HG MET 98 3.773 -3.617 -6.701 810 1HE MET 98 1HE MET 98 3.095 -1.522 -9.884 811 2HE MET 98 2HE MET 98 3.232 -3.181 -9.299 812 3HE MET 98 3HE MET 98 4.538 -2.033 -9.006 813 H VAL 99 H VAL 99 1.498 -7.556 -5.151 814 HA VAL 99 HA VAL 99 -0.705 -8.572 -6.729 815 HB VAL 99 HB VAL 99 -0.926 -10.248 -4.892 816 1HG1 VAL 99 1HG1 VAL 99 1.595 -9.835 -6.427 817 2HG1 VAL 99 2HG1 VAL 99 0.348 -11.069 -6.618 818 3HG1 VAL 99 3HG1 VAL 99 1.495 -11.174 -5.282 819 1HG2 VAL 99 1HG2 VAL 99 0.667 -10.354 -3.119 820 2HG2 VAL 99 2HG2 VAL 99 -0.021 -8.730 -3.115 821 3HG2 VAL 99 3HG2 VAL 99 1.587 -9.006 -3.787 822 H ASN 100 H ASN 100 -0.215 -6.597 -3.905 823 HA ASN 100 HA ASN 100 -2.805 -6.809 -2.796 824 1HB ASN 100 2HB ASN 100 -1.003 -4.395 -2.599 825 2HB ASN 100 1HB ASN 100 -2.220 -4.930 -1.444 826 1HD2 ASN 100 1HD2 ASN 100 -1.829 -7.141 -0.526 827 2HD2 ASN 100 2HD2 ASN 100 -0.199 -7.538 -0.109 828 H GLU 101 H GLU 101 -1.402 -4.702 -5.243 829 HA GLU 101 HA GLU 101 -3.484 -2.845 -5.451 830 1HB GLU 101 2HB GLU 101 -1.067 -3.372 -6.785 831 2HB GLU 101 1HB GLU 101 -2.307 -3.393 -8.030 832 1HG GLU 101 2HG GLU 101 -2.094 -1.186 -8.086 833 2HG GLU 101 1HG GLU 101 -2.949 -1.168 -6.545 834 H ALA 102 H ALA 102 -3.170 -6.095 -6.672 835 HA ALA 102 HA ALA 102 -5.452 -5.851 -8.440 836 1HB ALA 102 1HB ALA 102 -3.985 -7.337 -9.366 837 2HB ALA 102 2HB ALA 102 -5.032 -8.454 -8.490 838 3HB ALA 102 3HB ALA 102 -3.477 -7.981 -7.805 839 H LEU 103 H LEU 103 -4.702 -7.119 -5.262 840 HA LEU 103 HA LEU 103 -7.002 -8.645 -4.814 841 1HB LEU 103 2HB LEU 103 -5.196 -8.870 -3.304 842 2HB LEU 103 1HB LEU 103 -5.148 -7.151 -2.977 843 HG LEU 103 HG LEU 103 -6.078 -8.725 -1.167 844 1HD1 LEU 103 1HD1 LEU 103 -6.310 -6.138 -1.486 845 2HD1 LEU 103 2HD1 LEU 103 -7.245 -6.982 -0.252 846 3HD1 LEU 103 3HD1 LEU 103 -8.000 -6.538 -1.783 847 1HD2 LEU 103 1HD2 LEU 103 -7.592 -9.874 -2.873 848 2HD2 LEU 103 2HD2 LEU 103 -8.628 -8.454 -2.726 849 3HD2 LEU 103 3HD2 LEU 103 -8.297 -9.454 -1.313 850 H VAL 104 H VAL 104 -6.351 -5.297 -3.762 851 HA VAL 104 HA VAL 104 -8.994 -4.805 -2.894 852 HB VAL 104 HB VAL 104 -6.956 -2.752 -3.755 853 1HG1 VAL 104 1HG1 VAL 104 -9.554 -2.646 -2.319 854 2HG1 VAL 104 2HG1 VAL 104 -8.837 -1.501 -3.454 855 3HG1 VAL 104 3HG1 VAL 104 -8.269 -1.561 -1.786 856 1HG2 VAL 104 1HG2 VAL 104 -5.978 -4.266 -2.120 857 2HG2 VAL 104 2HG2 VAL 104 -7.364 -4.035 -1.055 858 3HG2 VAL 104 3HG2 VAL 104 -6.281 -2.686 -1.397 859 H ARG 105 H ARG 105 -7.673 -4.983 -6.026 860 HA ARG 105 HA ARG 105 -9.370 -3.078 -7.305 861 1HB ARG 105 2HB ARG 105 -7.121 -4.357 -8.066 862 2HB ARG 105 1HB ARG 105 -8.318 -5.352 -8.882 863 1HG ARG 105 2HG ARG 105 -7.732 -3.747 -10.462 864 2HG ARG 105 1HG ARG 105 -9.256 -3.158 -9.798 865 1HD ARG 105 2HD ARG 105 -8.298 -1.276 -9.108 866 2HD ARG 105 1HD ARG 105 -7.048 -2.170 -8.245 867 HE ARG 105 HE ARG 105 -5.611 -1.656 -9.931 868 1HH1 ARG 105 1HH1 ARG 105 -8.864 -1.407 -11.170 869 2HH1 ARG 105 2HH1 ARG 105 -8.362 -0.810 -12.716 870 1HH2 ARG 105 1HH2 ARG 105 -4.949 -0.873 -11.966 871 2HH2 ARG 105 2HH2 ARG 105 -6.141 -0.508 -13.169 872 H GLN 106 H GLN 106 -9.726 -6.376 -6.312 873 HA GLN 106 HA GLN 106 -12.096 -6.755 -7.974 874 1HB GLN 106 2HB GLN 106 -10.836 -8.685 -6.020 875 2HB GLN 106 1HB GLN 106 -12.051 -9.057 -7.235 876 1HG GLN 106 2HG GLN 106 -9.510 -7.868 -8.175 877 2HG GLN 106 1HG GLN 106 -9.465 -9.532 -7.595 878 1HE2 GLN 106 1HE2 GLN 106 -10.396 -7.423 -10.118 879 2HE2 GLN 106 2HE2 GLN 106 -11.049 -8.615 -11.185 880 H GLY 107 H GLY 107 -11.923 -4.866 -5.636 881 1HA GLY 107 2HA GLY 107 -13.791 -4.132 -4.374 882 2HA GLY 107 1HA GLY 107 -14.380 -5.787 -4.333 883 H LEU 108 H LEU 108 -11.213 -6.102 -3.692 884 HA LEU 108 HA LEU 108 -9.933 -6.368 -1.832 885 1HB LEU 108 2HB LEU 108 -10.928 -3.968 -1.411 886 2HB LEU 108 1HB LEU 108 -11.847 -4.791 -0.164 887 HG LEU 108 HG LEU 108 -8.867 -5.087 -0.264 888 1HD1 LEU 108 1HD1 LEU 108 -9.005 -3.165 1.511 889 2HD1 LEU 108 2HD1 LEU 108 -10.431 -2.697 0.583 890 3HD1 LEU 108 3HD1 LEU 108 -8.856 -2.797 -0.206 891 1HD2 LEU 108 1HD2 LEU 108 -9.256 -6.276 1.567 892 2HD2 LEU 108 2HD2 LEU 108 -10.984 -5.949 1.438 893 3HD2 LEU 108 3HD2 LEU 108 -9.944 -4.849 2.341 894 H ALA 109 H ALA 109 -10.503 -8.576 -1.816 895 HA ALA 109 HA ALA 109 -11.754 -9.418 0.598 896 1HB ALA 109 1HB ALA 109 -13.824 -9.822 -0.034 897 2HB ALA 109 2HB ALA 109 -13.257 -10.763 -1.407 898 3HB ALA 109 3HB ALA 109 -13.467 -9.024 -1.565 899 H LYS 110 H LYS 110 -10.679 -10.386 -2.625 900 HA LYS 110 HA LYS 110 -10.094 -13.074 -1.791 901 1HB LYS 110 2HB LYS 110 -9.106 -13.302 -4.056 902 2HB LYS 110 1HB LYS 110 -10.760 -12.709 -4.080 903 1HG LYS 110 2HG LYS 110 -10.082 -11.033 -5.352 904 2HG LYS 110 1HG LYS 110 -9.145 -10.427 -3.985 905 1HD LYS 110 2HD LYS 110 -7.441 -10.645 -5.470 906 2HD LYS 110 1HD LYS 110 -7.452 -12.303 -4.862 907 1HE LYS 110 2HE LYS 110 -9.071 -11.456 -7.248 908 2HE LYS 110 1HE LYS 110 -7.396 -11.987 -7.390 909 1HZ LYS 110 1HZ LYS 110 -7.930 -14.121 -6.728 910 2HZ LYS 110 2HZ LYS 110 -9.266 -13.702 -7.675 911 3HZ LYS 110 3HZ LYS 110 -9.381 -13.658 -5.988 Start of MODEL 8 1 1H ALA 1 1HT ALA 1 23.616 20.463 -12.771 2 2H ALA 1 2HT ALA 1 22.867 19.013 -13.298 3 3H ALA 1 3HT ALA 1 22.327 19.789 -11.866 4 HA ALA 1 HA ALA 1 21.399 21.530 -12.999 5 1HB ALA 1 1HB ALA 1 22.388 20.605 -15.653 6 2HB ALA 1 2HB ALA 1 23.472 21.519 -14.606 7 3HB ALA 1 3HB ALA 1 21.939 22.224 -15.117 8 H THR 2 H THR 2 21.744 18.747 -15.206 9 HA THR 2 HA THR 2 18.888 18.173 -14.790 10 HB THR 2 HB THR 2 20.131 17.657 -17.456 11 HG1 THR 2 1HG THR 2 20.409 19.689 -17.814 12 1HG2 THR 2 1HG2 THR 2 17.778 18.519 -18.108 13 2HG2 THR 2 2HG2 THR 2 17.389 18.195 -16.419 14 3HG2 THR 2 3HG2 THR 2 17.965 16.891 -17.457 15 H SER 3 H SER 3 18.727 16.257 -13.846 16 HA SER 3 HA SER 3 20.707 14.183 -14.495 17 1HB SER 3 2HB SER 3 20.623 14.735 -12.127 18 2HB SER 3 1HB SER 3 18.880 14.463 -12.097 19 HG SER 3 HG SER 3 20.876 12.684 -11.828 20 H THR 4 H THR 4 19.999 12.016 -14.828 21 HA THR 4 HA THR 4 17.539 11.871 -16.321 22 HB THR 4 HB THR 4 19.361 9.564 -15.660 23 HG1 THR 4 1HG THR 4 19.676 11.594 -17.600 24 1HG2 THR 4 1HG2 THR 4 17.049 9.743 -17.218 25 2HG2 THR 4 2HG2 THR 4 18.196 8.406 -17.133 26 3HG2 THR 4 3HG2 THR 4 18.398 9.665 -18.351 27 H LYS 5 H LYS 5 15.688 10.805 -15.789 28 HA LYS 5 HA LYS 5 15.251 10.274 -12.992 29 1HB LYS 5 2HB LYS 5 13.519 10.325 -15.438 30 2HB LYS 5 1HB LYS 5 12.919 9.589 -13.958 31 1HG LYS 5 2HG LYS 5 12.166 11.668 -13.562 32 2HG LYS 5 1HG LYS 5 13.811 11.926 -12.978 33 1HD LYS 5 2HD LYS 5 13.313 13.735 -14.433 34 2HD LYS 5 1HD LYS 5 14.405 12.663 -15.313 35 1HE LYS 5 2HE LYS 5 12.815 13.071 -16.917 36 2HE LYS 5 1HE LYS 5 12.172 11.603 -16.181 37 1HZ LYS 5 1HZ LYS 5 11.330 14.356 -15.452 38 2HZ LYS 5 2HZ LYS 5 10.656 12.912 -14.886 39 3HZ LYS 5 3HZ LYS 5 10.485 13.343 -16.513 40 H LYS 6 H LYS 6 16.202 8.440 -12.289 41 HA LYS 6 HA LYS 6 15.460 5.941 -13.661 42 1HB LYS 6 2HB LYS 6 18.055 6.547 -12.231 43 2HB LYS 6 1HB LYS 6 17.612 4.987 -12.910 44 1HG LYS 6 2HG LYS 6 17.391 6.221 -15.136 45 2HG LYS 6 1HG LYS 6 18.263 7.535 -14.343 46 1HD LYS 6 2HD LYS 6 20.158 6.145 -13.952 47 2HD LYS 6 1HD LYS 6 19.275 4.700 -14.445 48 1HE LYS 6 2HE LYS 6 19.115 5.572 -16.723 49 2HE LYS 6 1HE LYS 6 19.986 7.025 -16.231 50 1HZ LYS 6 1HZ LYS 6 21.949 5.951 -16.221 51 2HZ LYS 6 2HZ LYS 6 21.169 4.904 -17.297 52 3HZ LYS 6 3HZ LYS 6 21.296 4.494 -15.660 53 H LEU 7 H LEU 7 14.718 4.288 -12.422 54 HA LEU 7 HA LEU 7 13.823 4.938 -9.776 55 1HB LEU 7 2HB LEU 7 12.984 2.533 -9.838 56 2HB LEU 7 1HB LEU 7 12.305 3.654 -11.002 57 HG LEU 7 HG LEU 7 14.636 2.229 -12.036 58 1HD1 LEU 7 1HD1 LEU 7 12.423 0.719 -10.781 59 2HD1 LEU 7 2HD1 LEU 7 14.111 0.269 -11.028 60 3HD1 LEU 7 3HD1 LEU 7 12.969 0.180 -12.369 61 1HD2 LEU 7 1HD2 LEU 7 13.244 3.503 -13.496 62 2HD2 LEU 7 2HD2 LEU 7 11.796 2.659 -12.944 63 3HD2 LEU 7 3HD2 LEU 7 13.013 1.799 -13.889 64 H HIS 8 H HIS 8 15.114 4.843 -8.071 65 HA HIS 8 HA HIS 8 17.458 3.157 -8.046 66 1HB HIS 8 2HB HIS 8 17.908 4.190 -5.859 67 2HB HIS 8 1HB HIS 8 17.569 5.407 -7.084 68 HD1 HIS 8 1HD HIS 8 16.511 4.245 -3.789 69 HD2 HIS 8 2HD HIS 8 14.893 6.535 -6.855 70 HE1 HIS 8 1HE HIS 8 14.577 5.478 -2.758 71 HE2 HIS 8 2HE HIS 8 13.562 6.793 -4.652 72 H LYS 9 H LYS 9 17.214 1.057 -7.657 73 HA LYS 9 HA LYS 9 15.014 -0.060 -6.269 74 1HB LYS 9 2HB LYS 9 17.541 -1.075 -7.448 75 2HB LYS 9 1HB LYS 9 16.774 -2.085 -6.230 76 1HG LYS 9 2HG LYS 9 14.632 -1.645 -7.696 77 2HG LYS 9 1HG LYS 9 15.838 -1.346 -8.951 78 1HD LYS 9 2HD LYS 9 15.625 -3.842 -7.269 79 2HD LYS 9 1HD LYS 9 15.101 -3.683 -8.946 80 1HE LYS 9 2HE LYS 9 17.148 -4.443 -9.450 81 2HE LYS 9 1HE LYS 9 17.678 -2.803 -9.081 82 1HZ LYS 9 1HZ LYS 9 19.049 -3.928 -7.702 83 2HZ LYS 9 2HZ LYS 9 18.012 -5.255 -7.543 84 3HZ LYS 9 3HZ LYS 9 17.722 -3.844 -6.656 85 H GLU 10 H GLU 10 14.675 0.192 -4.167 86 HA GLU 10 HA GLU 10 16.941 -0.197 -2.333 87 1HB GLU 10 2HB GLU 10 14.982 2.032 -2.460 88 2HB GLU 10 1HB GLU 10 15.419 1.446 -0.861 89 1HG GLU 10 2HG GLU 10 17.819 1.772 -1.507 90 2HG GLU 10 1HG GLU 10 17.241 2.580 -2.962 91 HA PRO 11 HA PRO 11 14.364 -3.283 -0.492 92 1HB PRO 11 2HB PRO 11 15.419 -3.326 2.022 93 2HB PRO 11 1HB PRO 11 16.215 -4.053 0.621 94 1HG PRO 11 2HG PRO 11 16.709 -1.399 1.915 95 2HG PRO 11 1HG PRO 11 17.882 -2.591 1.322 96 1HD PRO 11 2HD PRO 11 17.235 -0.387 -0.093 97 2HD PRO 11 1HD PRO 11 17.629 -1.929 -0.878 98 H ALA 12 H ALA 12 12.306 -2.966 0.043 99 HA ALA 12 HA ALA 12 11.664 -1.353 2.387 100 1HB ALA 12 1HB ALA 12 9.842 -0.190 1.182 101 2HB ALA 12 2HB ALA 12 10.438 -0.880 -0.327 102 3HB ALA 12 3HB ALA 12 11.446 0.240 0.589 103 H THR 13 H THR 13 10.710 -2.850 3.619 104 HA THR 13 HA THR 13 8.583 -4.481 2.397 105 HB THR 13 HB THR 13 9.375 -5.933 4.594 106 HG1 THR 13 1HG THR 13 11.229 -4.749 4.928 107 1HG2 THR 13 1HG2 THR 13 9.128 -6.443 1.963 108 2HG2 THR 13 2HG2 THR 13 9.802 -7.574 3.138 109 3HG2 THR 13 3HG2 THR 13 10.877 -6.575 2.161 110 H LEU 14 H LEU 14 6.761 -4.924 3.679 111 HA LEU 14 HA LEU 14 6.319 -2.963 5.807 112 1HB LEU 14 2HB LEU 14 3.886 -3.837 5.495 113 2HB LEU 14 1HB LEU 14 4.575 -2.730 4.327 114 HG LEU 14 HG LEU 14 4.871 -5.627 3.758 115 1HD1 LEU 14 1HD1 LEU 14 2.708 -6.103 3.358 116 2HD1 LEU 14 2HD1 LEU 14 2.325 -4.454 2.865 117 3HD1 LEU 14 3HD1 LEU 14 2.421 -4.862 4.577 118 1HD2 LEU 14 1HD2 LEU 14 5.793 -3.965 2.246 119 2HD2 LEU 14 2HD2 LEU 14 4.211 -3.203 2.090 120 3HD2 LEU 14 3HD2 LEU 14 4.468 -4.833 1.469 121 H ILE 15 H ILE 15 5.767 -3.526 7.869 122 HA ILE 15 HA ILE 15 6.047 -6.376 8.538 123 HB ILE 15 HB ILE 15 6.345 -5.446 10.914 124 1HG1 ILE 15 2HG1 ILE 15 7.357 -2.951 9.666 125 2HG1 ILE 15 1HG1 ILE 15 5.611 -3.083 9.851 126 1HG2 ILE 15 1HG2 ILE 15 8.547 -4.634 9.058 127 2HG2 ILE 15 2HG2 ILE 15 8.100 -6.330 9.249 128 3HG2 ILE 15 3HG2 ILE 15 8.650 -5.400 10.643 129 1HD1 ILE 15 1HD1 ILE 15 7.184 -2.056 11.724 130 2HD1 ILE 15 2HD1 ILE 15 7.265 -3.751 12.208 131 3HD1 ILE 15 3HD1 ILE 15 5.704 -2.936 12.105 132 H LYS 16 H LYS 16 3.964 -3.579 8.932 133 HA LYS 16 HA LYS 16 1.829 -5.369 9.835 134 1HB LYS 16 2HB LYS 16 3.099 -3.407 11.468 135 2HB LYS 16 1HB LYS 16 1.466 -2.853 11.129 136 1HG LYS 16 2HG LYS 16 0.628 -5.069 11.898 137 2HG LYS 16 1HG LYS 16 2.277 -5.463 12.387 138 1HD LYS 16 2HD LYS 16 2.240 -3.395 13.813 139 2HD LYS 16 1HD LYS 16 0.520 -3.256 13.448 140 1HE LYS 16 2HE LYS 16 0.550 -4.386 15.482 141 2HE LYS 16 1HE LYS 16 0.362 -5.679 14.298 142 1HZ LYS 16 1HZ LYS 16 2.015 -6.482 15.658 143 2HZ LYS 16 2HZ LYS 16 2.725 -4.966 15.899 144 3HZ LYS 16 3HZ LYS 16 2.925 -5.767 14.423 145 H ALA 17 H ALA 17 0.826 -5.271 7.856 146 HA ALA 17 HA ALA 17 0.101 -2.636 6.808 147 1HB ALA 17 1HB ALA 17 0.769 -5.153 5.619 148 2HB ALA 17 2HB ALA 17 0.564 -3.578 4.855 149 3HB ALA 17 3HB ALA 17 -0.827 -4.640 5.072 150 H ILE 18 H ILE 18 -1.747 -1.839 7.556 151 HA ILE 18 HA ILE 18 -3.957 -3.668 8.177 152 HB ILE 18 HB ILE 18 -3.732 -0.733 8.854 153 1HG1 ILE 18 2HG1 ILE 18 -3.487 -2.829 10.946 154 2HG1 ILE 18 1HG1 ILE 18 -2.095 -2.595 9.890 155 1HG2 ILE 18 1HG2 ILE 18 -5.779 -2.810 9.266 156 2HG2 ILE 18 2HG2 ILE 18 -5.944 -1.058 9.140 157 3HG2 ILE 18 3HG2 ILE 18 -5.430 -1.788 10.660 158 1HD1 ILE 18 1HD1 ILE 18 -2.992 -1.018 12.113 159 2HD1 ILE 18 2HD1 ILE 18 -2.875 -0.031 10.656 160 3HD1 ILE 18 3HD1 ILE 18 -1.474 -0.943 11.219 161 H ASP 19 H ASP 19 -3.260 -0.648 6.446 162 HA ASP 19 HA ASP 19 -4.173 0.273 4.576 163 1HB ASP 19 2HB ASP 19 -4.415 -2.429 4.124 164 2HB ASP 19 1HB ASP 19 -6.074 -1.868 3.940 165 H GLY 20 H GLY 20 -6.788 -1.666 6.063 166 1HA GLY 20 2HA GLY 20 -8.925 -0.046 5.546 167 2HA GLY 20 1HA GLY 20 -8.775 -0.998 7.015 168 H ASP 21 H ASP 21 -6.369 0.555 7.843 169 HA ASP 21 HA ASP 21 -7.683 3.097 8.540 170 1HB ASP 21 2HB ASP 21 -6.146 1.239 10.360 171 2HB ASP 21 1HB ASP 21 -6.541 2.902 10.783 172 H THR 22 H THR 22 -4.505 1.710 9.311 173 HA THR 22 HA THR 22 -3.224 3.728 7.621 174 HB THR 22 HB THR 22 -1.724 3.487 10.060 175 HG1 THR 22 1HG THR 22 -3.318 3.379 11.416 176 1HG2 THR 22 1HG2 THR 22 -3.103 6.011 9.643 177 2HG2 THR 22 2HG2 THR 22 -2.234 5.444 8.216 178 3HG2 THR 22 3HG2 THR 22 -1.378 5.658 9.745 179 H VAL 23 H VAL 23 -1.171 3.173 6.878 180 HA VAL 23 HA VAL 23 -0.333 0.406 7.467 181 HB VAL 23 HB VAL 23 0.128 1.794 4.831 182 1HG1 VAL 23 1HG1 VAL 23 0.954 -0.196 4.068 183 2HG1 VAL 23 2HG1 VAL 23 -0.004 -1.154 5.197 184 3HG1 VAL 23 3HG1 VAL 23 1.432 -0.301 5.762 185 1HG2 VAL 23 1HG2 VAL 23 -1.852 1.098 3.978 186 2HG2 VAL 23 2HG2 VAL 23 -2.365 1.245 5.658 187 3HG2 VAL 23 3HG2 VAL 23 -1.918 -0.331 5.008 188 H LYS 24 H LYS 24 1.847 0.000 7.710 189 HA LYS 24 HA LYS 24 3.640 2.333 7.622 190 1HB LYS 24 2HB LYS 24 2.869 1.663 9.958 191 2HB LYS 24 1HB LYS 24 3.805 0.191 9.736 192 1HG LYS 24 2HG LYS 24 5.826 1.309 9.772 193 2HG LYS 24 1HG LYS 24 5.093 2.855 9.340 194 1HD LYS 24 2HD LYS 24 4.588 3.355 11.479 195 2HD LYS 24 1HD LYS 24 4.144 1.693 11.868 196 1HE LYS 24 2HE LYS 24 6.993 2.032 11.355 197 2HE LYS 24 1HE LYS 24 6.416 3.002 12.708 198 1HZ LYS 24 1HZ LYS 24 5.501 0.246 12.641 199 2HZ LYS 24 2HZ LYS 24 6.011 1.186 13.950 200 3HZ LYS 24 3HZ LYS 24 7.154 0.461 12.935 201 H LEU 25 H LEU 25 5.034 1.935 6.030 202 HA LEU 25 HA LEU 25 6.003 -0.807 5.624 203 1HB LEU 25 2HB LEU 25 5.603 1.541 3.877 204 2HB LEU 25 1HB LEU 25 7.042 0.593 3.550 205 HG LEU 25 HG LEU 25 4.505 -0.909 3.827 206 1HD1 LEU 25 1HD1 LEU 25 4.322 1.320 2.340 207 2HD1 LEU 25 2HD1 LEU 25 3.474 -0.179 1.961 208 3HD1 LEU 25 3HD1 LEU 25 4.988 0.207 1.145 209 1HD2 LEU 25 1HD2 LEU 25 5.665 -1.897 1.675 210 2HD2 LEU 25 2HD2 LEU 25 6.229 -2.317 3.293 211 3HD2 LEU 25 3HD2 LEU 25 7.082 -1.094 2.352 212 H MET 26 H MET 26 8.262 -1.192 5.304 213 HA MET 26 HA MET 26 9.906 0.450 7.040 214 1HB MET 26 2HB MET 26 9.880 -2.116 6.979 215 2HB MET 26 1HB MET 26 10.821 -1.972 5.500 216 1HG MET 26 2HG MET 26 12.291 -2.350 7.357 217 2HG MET 26 1HG MET 26 12.533 -0.716 6.740 218 1HE MET 26 1HE MET 26 10.677 -2.103 10.626 219 2HE MET 26 2HE MET 26 12.388 -2.415 10.336 220 3HE MET 26 3HE MET 26 11.175 -3.037 9.217 221 H TYR 27 H TYR 27 10.340 2.340 5.961 222 HA TYR 27 HA TYR 27 11.884 2.078 3.464 223 1HB TYR 27 2HB TYR 27 9.627 3.167 3.217 224 2HB TYR 27 1HB TYR 27 10.203 4.459 4.266 225 HD1 TYR 27 1HD TYR 27 11.481 6.236 3.399 226 HD2 TYR 27 2HD TYR 27 10.822 2.770 1.021 227 HE1 TYR 27 1HE TYR 27 12.429 7.400 1.451 228 HE2 TYR 27 2HE TYR 27 11.768 3.924 -0.933 229 HH TYR 27 HH TYR 27 12.056 6.353 -1.675 230 H LYS 28 H LYS 28 13.908 2.059 4.394 231 HA LYS 28 HA LYS 28 15.805 2.866 5.364 232 1HB LYS 28 2HB LYS 28 15.024 4.707 3.612 233 2HB LYS 28 1HB LYS 28 14.841 5.671 5.071 234 1HG LYS 28 2HG LYS 28 17.094 5.683 5.514 235 2HG LYS 28 1HG LYS 28 17.387 4.193 4.614 236 1HD LYS 28 2HD LYS 28 17.555 5.271 2.620 237 2HD LYS 28 1HD LYS 28 16.382 6.510 3.070 238 1HE LYS 28 2HE LYS 28 19.165 6.355 4.210 239 2HE LYS 28 1HE LYS 28 18.743 7.318 2.795 240 1HZ LYS 28 1HZ LYS 28 16.905 8.154 4.519 241 2HZ LYS 28 2HZ LYS 28 18.416 8.893 4.347 242 3HZ LYS 28 3HZ LYS 28 18.155 7.787 5.599 243 H GLY 29 H GLY 29 13.806 2.178 7.185 244 1HA GLY 29 2HA GLY 29 13.502 2.320 9.466 245 2HA GLY 29 1HA GLY 29 14.708 3.596 9.496 246 H GLN 30 H GLN 30 12.136 4.110 7.307 247 HA GLN 30 HA GLN 30 10.856 5.937 9.231 248 1HB GLN 30 2HB GLN 30 12.177 6.716 7.007 249 2HB GLN 30 1HB GLN 30 10.568 6.487 6.337 250 1HG GLN 30 2HG GLN 30 9.703 8.255 7.438 251 2HG GLN 30 1HG GLN 30 10.732 8.019 8.851 252 1HE2 GLN 30 1HE2 GLN 30 11.101 8.802 5.404 253 2HE2 GLN 30 2HE2 GLN 30 12.237 10.082 5.643 254 HA PRO 31 HA PRO 31 7.145 3.646 8.454 255 1HB PRO 31 2HB PRO 31 5.318 5.395 9.390 256 2HB PRO 31 1HB PRO 31 6.416 4.517 10.459 257 1HG PRO 31 2HG PRO 31 6.605 7.326 9.444 258 2HG PRO 31 1HG PRO 31 6.908 6.705 11.077 259 1HD PRO 31 2HD PRO 31 8.897 7.253 9.301 260 2HD PRO 31 1HD PRO 31 9.030 6.000 10.551 261 H MET 32 H MET 32 7.020 3.534 6.210 262 HA MET 32 HA MET 32 6.208 5.768 4.612 263 1HB MET 32 2HB MET 32 7.160 3.083 4.168 264 2HB MET 32 1HB MET 32 5.750 3.394 3.166 265 1HG MET 32 2HG MET 32 6.892 5.500 2.406 266 2HG MET 32 1HG MET 32 8.338 4.913 3.225 267 1HE MET 32 1HE MET 32 6.468 4.417 -0.501 268 2HE MET 32 2HE MET 32 8.167 4.800 -0.780 269 3HE MET 32 3HE MET 32 7.226 5.751 0.369 270 H THR 33 H THR 33 4.221 6.570 4.840 271 HA THR 33 HA THR 33 1.987 5.012 5.676 272 HB THR 33 HB THR 33 0.698 7.035 5.422 273 HG1 THR 33 1HG THR 33 1.468 8.795 4.321 274 1HG2 THR 33 1HG2 THR 33 3.458 7.797 6.341 275 2HG2 THR 33 2HG2 THR 33 2.221 7.023 7.333 276 3HG2 THR 33 3HG2 THR 33 1.956 8.650 6.703 277 H PHE 34 H PHE 34 0.637 3.833 4.500 278 HA PHE 34 HA PHE 34 0.624 4.218 1.579 279 1HB PHE 34 2HB PHE 34 1.510 2.005 2.654 280 2HB PHE 34 1HB PHE 34 -0.197 1.643 2.883 281 HD1 PHE 34 1HD PHE 34 -1.649 1.237 0.989 282 HD2 PHE 34 2HD PHE 34 2.490 2.061 0.453 283 HE1 PHE 34 1HE PHE 34 -1.791 0.418 -1.328 284 HE2 PHE 34 2HE PHE 34 2.356 1.245 -1.865 285 HZ PHE 34 HZ PHE 34 0.214 0.423 -2.757 286 H ARG 35 H ARG 35 -1.101 5.589 1.381 287 HA ARG 35 HA ARG 35 -3.274 6.235 1.214 288 1HB ARG 35 2HB ARG 35 -3.771 3.288 1.677 289 2HB ARG 35 1HB ARG 35 -5.010 4.443 1.200 290 1HG ARG 35 2HG ARG 35 -3.590 4.941 -0.827 291 2HG ARG 35 1HG ARG 35 -2.621 3.535 -0.377 292 1HD ARG 35 2HD ARG 35 -4.538 2.092 -0.567 293 2HD ARG 35 1HD ARG 35 -5.598 3.473 -0.850 294 HE ARG 35 HE ARG 35 -3.896 2.168 -2.764 295 1HH1 ARG 35 1HH1 ARG 35 -5.547 5.135 -1.959 296 2HH1 ARG 35 2HH1 ARG 35 -5.617 5.687 -3.598 297 1HH2 ARG 35 1HH2 ARG 35 -3.987 2.892 -4.920 298 2HH2 ARG 35 2HH2 ARG 35 -4.732 4.415 -5.281 299 H LEU 36 H LEU 36 -3.241 7.535 3.051 300 HA LEU 36 HA LEU 36 -3.728 6.501 5.670 301 1HB LEU 36 2HB LEU 36 -4.069 9.352 4.758 302 2HB LEU 36 1HB LEU 36 -3.768 8.782 6.387 303 HG LEU 36 HG LEU 36 -1.667 7.963 4.549 304 1HD1 LEU 36 1HD1 LEU 36 -2.441 10.148 3.528 305 2HD1 LEU 36 2HD1 LEU 36 -0.744 10.058 4.000 306 3HD1 LEU 36 3HD1 LEU 36 -1.898 10.922 5.015 307 1HD2 LEU 36 1HD2 LEU 36 -0.272 8.552 6.310 308 2HD2 LEU 36 2HD2 LEU 36 -1.760 8.067 7.125 309 3HD2 LEU 36 3HD2 LEU 36 -1.388 9.777 6.913 310 H LEU 37 H LEU 37 -5.580 7.523 6.994 311 HA LEU 37 HA LEU 37 -8.046 6.720 5.731 312 1HB LEU 37 2HB LEU 37 -7.487 6.142 8.080 313 2HB LEU 37 1HB LEU 37 -7.580 7.843 8.494 314 HG LEU 37 HG LEU 37 -9.998 7.735 7.627 315 1HD1 LEU 37 1HD1 LEU 37 -10.984 5.759 7.170 316 2HD1 LEU 37 2HD1 LEU 37 -10.010 4.875 8.343 317 3HD1 LEU 37 3HD1 LEU 37 -9.336 5.281 6.764 318 1HD2 LEU 37 1HD2 LEU 37 -9.775 6.030 10.033 319 2HD2 LEU 37 2HD2 LEU 37 -10.695 7.513 9.770 320 3HD2 LEU 37 3HD2 LEU 37 -8.962 7.596 10.087 321 H LEU 38 H LEU 38 -8.850 8.150 4.306 322 HA LEU 38 HA LEU 38 -9.323 10.891 5.271 323 1HB LEU 38 2HB LEU 38 -8.744 10.162 2.406 324 2HB LEU 38 1HB LEU 38 -8.907 11.773 3.080 325 HG LEU 38 HG LEU 38 -6.779 10.155 4.306 326 1HD1 LEU 38 1HD1 LEU 38 -6.888 9.673 1.715 327 2HD1 LEU 38 2HD1 LEU 38 -5.352 9.944 2.541 328 3HD1 LEU 38 3HD1 LEU 38 -6.108 11.253 1.629 329 1HD2 LEU 38 1HD2 LEU 38 -6.889 12.404 4.949 330 2HD2 LEU 38 2HD2 LEU 38 -7.122 12.959 3.292 331 3HD2 LEU 38 3HD2 LEU 38 -5.552 12.338 3.803 332 H VAL 39 H VAL 39 -11.167 11.969 4.275 333 HA VAL 39 HA VAL 39 -13.194 10.082 3.266 334 HB VAL 39 HB VAL 39 -14.857 11.682 4.463 335 1HG1 VAL 39 1HG1 VAL 39 -14.303 10.334 6.679 336 2HG1 VAL 39 2HG1 VAL 39 -13.251 9.450 5.574 337 3HG1 VAL 39 3HG1 VAL 39 -14.982 9.551 5.252 338 1HG2 VAL 39 1HG2 VAL 39 -12.349 12.161 6.071 339 2HG2 VAL 39 2HG2 VAL 39 -13.981 12.615 6.565 340 3HG2 VAL 39 3HG2 VAL 39 -13.248 13.365 5.147 341 H ASP 40 H ASP 40 -13.624 10.619 1.233 342 HA ASP 40 HA ASP 40 -14.438 13.319 0.601 343 1HB ASP 40 2HB ASP 40 -11.968 13.360 0.277 344 2HB ASP 40 1HB ASP 40 -12.134 12.069 -0.911 345 H THR 41 H THR 41 -16.439 12.326 0.201 346 HA THR 41 HA THR 41 -16.633 11.138 -2.448 347 HB THR 41 HB THR 41 -18.419 9.551 -1.111 348 HG1 THR 41 1HG THR 41 -16.087 9.652 0.490 349 1HG2 THR 41 1HG2 THR 41 -17.244 7.848 -1.942 350 2HG2 THR 41 2HG2 THR 41 -15.741 8.385 -1.190 351 3HG2 THR 41 3HG2 THR 41 -16.274 9.109 -2.707 352 HA PRO 42 HA PRO 42 -20.069 14.069 -1.479 353 1HB PRO 42 2HB PRO 42 -19.620 15.866 -3.405 354 2HB PRO 42 1HB PRO 42 -18.668 15.868 -1.915 355 1HG PRO 42 2HG PRO 42 -17.950 14.822 -4.621 356 2HG PRO 42 1HG PRO 42 -16.948 15.714 -3.461 357 1HD PRO 42 2HD PRO 42 -16.908 12.966 -3.800 358 2HD PRO 42 1HD PRO 42 -16.364 13.815 -2.341 359 H GLU 43 H GLU 43 -21.312 12.173 -2.227 360 HA GLU 43 HA GLU 43 -22.917 12.770 -4.441 361 1HB GLU 43 2HB GLU 43 -20.631 11.872 -5.438 362 2HB GLU 43 1HB GLU 43 -21.350 10.310 -5.071 363 1HG GLU 43 2HG GLU 43 -22.313 10.443 -7.065 364 2HG GLU 43 1HG GLU 43 -23.385 11.646 -6.348 365 H THR 44 H THR 44 -21.592 9.713 -3.162 366 HA THR 44 HA THR 44 -24.334 8.987 -2.357 367 HB THR 44 HB THR 44 -22.322 6.843 -2.725 368 HG1 THR 44 1HG THR 44 -22.694 6.870 -4.994 369 1HG2 THR 44 1HG2 THR 44 -25.233 7.179 -3.344 370 2HG2 THR 44 2HG2 THR 44 -24.466 6.067 -2.210 371 3HG2 THR 44 3HG2 THR 44 -24.290 5.818 -3.947 372 H LYS 45 H LYS 45 -20.997 9.207 -1.394 373 HA LYS 45 HA LYS 45 -19.894 8.746 0.551 374 1HB LYS 45 2HB LYS 45 -21.109 9.619 2.590 375 2HB LYS 45 1HB LYS 45 -20.917 10.755 1.264 376 1HG LYS 45 2HG LYS 45 -23.209 10.435 0.595 377 2HG LYS 45 1HG LYS 45 -23.421 9.175 1.812 378 1HD LYS 45 2HD LYS 45 -22.529 11.214 3.351 379 2HD LYS 45 1HD LYS 45 -23.399 12.105 2.099 380 1HE LYS 45 2HE LYS 45 -24.674 9.741 3.409 381 2HE LYS 45 1HE LYS 45 -24.653 11.298 4.237 382 1HZ LYS 45 1HZ LYS 45 -26.668 10.871 2.867 383 2HZ LYS 45 2HZ LYS 45 -25.694 10.925 1.485 384 3HZ LYS 45 3HZ LYS 45 -25.848 12.295 2.465 385 H HIS 46 H HIS 46 -19.590 6.572 0.695 386 HA HIS 46 HA HIS 46 -21.603 5.075 2.244 387 1HB HIS 46 2HB HIS 46 -21.519 4.309 -0.090 388 2HB HIS 46 1HB HIS 46 -19.792 4.007 0.069 389 HD1 HIS 46 1HD HIS 46 -23.016 2.844 1.727 390 HD2 HIS 46 2HD HIS 46 -19.224 1.453 0.751 391 HE1 HIS 46 1HE HIS 46 -23.002 0.416 2.379 392 HE2 HIS 46 2HE HIS 46 -20.667 -0.381 1.866 393 HA PRO 47 HA PRO 47 -17.323 4.901 4.251 394 1HB PRO 47 2HB PRO 47 -17.668 6.565 6.325 395 2HB PRO 47 1HB PRO 47 -17.196 7.162 4.729 396 1HG PRO 47 2HG PRO 47 -19.904 7.133 6.013 397 2HG PRO 47 1HG PRO 47 -19.113 8.434 5.104 398 1HD PRO 47 2HD PRO 47 -20.971 6.753 4.016 399 2HD PRO 47 1HD PRO 47 -19.680 7.528 3.075 400 H LYS 48 H LYS 48 -20.523 4.204 4.953 401 HA LYS 48 HA LYS 48 -20.517 3.467 7.635 402 1HB LYS 48 2HB LYS 48 -22.278 3.259 5.466 403 2HB LYS 48 1HB LYS 48 -22.055 1.609 6.033 404 1HG LYS 48 2HG LYS 48 -22.442 3.368 8.266 405 2HG LYS 48 1HG LYS 48 -23.742 3.578 7.090 406 1HD LYS 48 2HD LYS 48 -24.383 1.864 8.648 407 2HD LYS 48 1HD LYS 48 -24.058 1.111 7.085 408 1HE LYS 48 2HE LYS 48 -22.053 0.180 7.812 409 2HE LYS 48 1HE LYS 48 -21.915 1.300 9.168 410 1HZ LYS 48 1HZ LYS 48 -23.515 0.147 10.378 411 2HZ LYS 48 2HZ LYS 48 -22.594 -1.083 9.670 412 3HZ LYS 48 3HZ LYS 48 -24.103 -0.679 9.023 413 H LYS 49 H LYS 49 -20.429 1.072 5.000 414 HA LYS 49 HA LYS 49 -18.953 -0.736 6.741 415 1HB LYS 49 2HB LYS 49 -20.033 -1.226 3.961 416 2HB LYS 49 1HB LYS 49 -19.437 -2.442 5.083 417 1HG LYS 49 2HG LYS 49 -21.323 -2.394 6.359 418 2HG LYS 49 1HG LYS 49 -21.674 -0.708 5.974 419 1HD LYS 49 2HD LYS 49 -21.880 -1.981 3.532 420 2HD LYS 49 1HD LYS 49 -22.568 -3.149 4.663 421 1HE LYS 49 2HE LYS 49 -23.961 -1.253 5.579 422 2HE LYS 49 1HE LYS 49 -23.414 -0.297 4.202 423 1HZ LYS 49 1HZ LYS 49 -24.630 -1.532 2.743 424 2HZ LYS 49 2HZ LYS 49 -25.625 -1.668 4.104 425 3HZ LYS 49 3HZ LYS 49 -24.584 -2.934 3.688 426 H GLY 50 H GLY 50 -18.548 0.987 3.687 427 1HA GLY 50 2HA GLY 50 -16.646 1.517 2.510 428 2HA GLY 50 1HA GLY 50 -15.730 1.072 3.942 429 H VAL 51 H VAL 51 -17.869 -0.940 1.963 430 HA VAL 51 HA VAL 51 -15.675 -2.845 1.634 431 HB VAL 51 HB VAL 51 -18.561 -3.258 0.863 432 1HG1 VAL 51 1HG1 VAL 51 -17.609 -5.681 1.531 433 2HG1 VAL 51 2HG1 VAL 51 -16.128 -4.926 0.940 434 3HG1 VAL 51 3HG1 VAL 51 -17.545 -5.028 -0.105 435 1HG2 VAL 51 1HG2 VAL 51 -17.262 -3.306 3.512 436 2HG2 VAL 51 2HG2 VAL 51 -18.319 -4.667 3.139 437 3HG2 VAL 51 3HG2 VAL 51 -18.947 -3.020 3.078 438 H GLU 52 H GLU 52 -15.994 -0.296 0.077 439 HA GLU 52 HA GLU 52 -16.186 -1.443 -2.625 440 1HB GLU 52 2HB GLU 52 -16.579 1.391 -1.665 441 2HB GLU 52 1HB GLU 52 -16.493 0.943 -3.363 442 1HG GLU 52 2HG GLU 52 -18.400 -0.738 -2.098 443 2HG GLU 52 1HG GLU 52 -18.736 0.930 -1.636 444 H LYS 53 H LYS 53 -13.908 -1.095 -0.534 445 HA LYS 53 HA LYS 53 -11.715 -1.183 -2.076 446 1HB LYS 53 2HB LYS 53 -10.806 1.215 -1.853 447 2HB LYS 53 1HB LYS 53 -11.961 0.878 -3.136 448 1HG LYS 53 2HG LYS 53 -13.620 2.109 -2.159 449 2HG LYS 53 1HG LYS 53 -12.999 1.851 -0.527 450 1HD LYS 53 2HD LYS 53 -11.300 3.464 -0.813 451 2HD LYS 53 1HD LYS 53 -11.535 3.514 -2.560 452 1HE LYS 53 2HE LYS 53 -14.009 4.198 -1.660 453 2HE LYS 53 1HE LYS 53 -12.978 4.904 -0.417 454 1HZ LYS 53 1HZ LYS 53 -12.976 6.597 -1.899 455 2HZ LYS 53 2HZ LYS 53 -13.222 5.597 -3.241 456 3HZ LYS 53 3HZ LYS 53 -11.684 5.723 -2.551 457 H TYR 54 H TYR 54 -13.179 -0.806 0.864 458 HA TYR 54 HA TYR 54 -10.593 -0.866 2.253 459 1HB TYR 54 2HB TYR 54 -12.960 0.845 2.783 460 2HB TYR 54 1HB TYR 54 -12.111 0.186 4.177 461 HD1 TYR 54 1HD TYR 54 -11.409 1.986 0.979 462 HD2 TYR 54 2HD TYR 54 -10.328 1.378 5.049 463 HE1 TYR 54 1HE TYR 54 -9.736 3.778 0.795 464 HE2 TYR 54 2HE TYR 54 -8.652 3.170 4.877 465 HH TYR 54 HH TYR 54 -8.596 5.415 2.525 466 H GLY 55 H GLY 55 -13.326 -2.558 1.512 467 1HA GLY 55 2HA GLY 55 -14.091 -3.704 3.963 468 2HA GLY 55 1HA GLY 55 -14.331 -4.424 2.379 469 HA PRO 56 HA PRO 56 -11.410 -7.284 4.376 470 1HB PRO 56 2HB PRO 56 -12.187 -9.491 3.053 471 2HB PRO 56 1HB PRO 56 -13.118 -8.835 4.406 472 1HG PRO 56 2HG PRO 56 -13.588 -8.541 1.464 473 2HG PRO 56 1HG PRO 56 -14.758 -8.863 2.757 474 1HD PRO 56 2HD PRO 56 -14.354 -6.389 1.675 475 2HD PRO 56 1HD PRO 56 -14.910 -6.650 3.339 476 H GLU 57 H GLU 57 -11.517 -5.916 1.355 477 HA GLU 57 HA GLU 57 -9.440 -7.630 0.215 478 1HB GLU 57 2HB GLU 57 -11.291 -5.570 -0.858 479 2HB GLU 57 1HB GLU 57 -9.762 -5.806 -1.690 480 1HG GLU 57 2HG GLU 57 -10.465 -8.334 -1.574 481 2HG GLU 57 1HG GLU 57 -12.080 -7.646 -1.411 482 H ALA 58 H ALA 58 -9.927 -4.079 0.497 483 HA ALA 58 HA ALA 58 -7.426 -3.175 -0.005 484 1HB ALA 58 1HB ALA 58 -9.688 -2.128 1.186 485 2HB ALA 58 2HB ALA 58 -8.226 -1.242 0.751 486 3HB ALA 58 3HB ALA 58 -8.422 -1.877 2.385 487 H SER 59 H SER 59 -8.430 -4.852 2.906 488 HA SER 59 HA SER 59 -5.925 -4.380 4.266 489 1HB SER 59 2HB SER 59 -8.056 -6.388 5.014 490 2HB SER 59 1HB SER 59 -6.840 -5.663 6.066 491 HG SER 59 HG SER 59 -7.923 -3.764 6.027 492 H ALA 60 H ALA 60 -7.597 -7.291 3.072 493 HA ALA 60 HA ALA 60 -5.605 -9.148 3.421 494 1HB ALA 60 1HB ALA 60 -6.653 -10.244 1.321 495 2HB ALA 60 2HB ALA 60 -7.804 -8.912 1.412 496 3HB ALA 60 3HB ALA 60 -7.640 -10.028 2.767 497 H PHE 61 H PHE 61 -5.820 -6.651 1.004 498 HA PHE 61 HA PHE 61 -4.064 -7.635 -0.925 499 1HB PHE 61 2HB PHE 61 -5.345 -5.682 -1.425 500 2HB PHE 61 1HB PHE 61 -4.693 -4.817 -0.039 501 HD1 PHE 61 1HD PHE 61 -3.645 -6.373 -3.254 502 HD2 PHE 61 2HD PHE 61 -2.912 -3.375 -0.325 503 HE1 PHE 61 1HE PHE 61 -1.899 -5.401 -4.689 504 HE2 PHE 61 2HE PHE 61 -1.163 -2.400 -1.753 505 HZ PHE 61 HZ PHE 61 -0.654 -3.414 -3.939 506 H THR 62 H THR 62 -3.268 -5.218 1.571 507 HA THR 62 HA THR 62 -0.454 -5.752 1.291 508 HB THR 62 HB THR 62 -0.199 -4.055 3.074 509 HG1 THR 62 1HG THR 62 -3.024 -3.871 3.014 510 1HG2 THR 62 1HG2 THR 62 -0.500 -2.336 1.691 511 2HG2 THR 62 2HG2 THR 62 -2.209 -2.698 1.452 512 3HG2 THR 62 3HG2 THR 62 -0.985 -3.565 0.523 513 H LYS 63 H LYS 63 -3.036 -6.773 3.370 514 HA LYS 63 HA LYS 63 -1.587 -7.612 5.610 515 1HB LYS 63 2HB LYS 63 -4.092 -7.460 5.412 516 2HB LYS 63 1HB LYS 63 -4.045 -8.963 4.501 517 1HG LYS 63 2HG LYS 63 -2.952 -10.036 6.465 518 2HG LYS 63 1HG LYS 63 -3.226 -8.543 7.364 519 1HD LYS 63 2HD LYS 63 -5.488 -9.943 5.984 520 2HD LYS 63 1HD LYS 63 -4.942 -10.466 7.578 521 1HE LYS 63 2HE LYS 63 -5.595 -8.496 8.592 522 2HE LYS 63 1HE LYS 63 -5.526 -7.578 7.088 523 1HZ LYS 63 1HZ LYS 63 -7.803 -8.244 8.103 524 2HZ LYS 63 2HZ LYS 63 -7.501 -9.736 7.369 525 3HZ LYS 63 3HZ LYS 63 -7.574 -8.332 6.429 526 H LYS 64 H LYS 64 -1.861 -8.964 2.438 527 HA LYS 64 HA LYS 64 -0.756 -11.527 3.267 528 1HB LYS 64 2HB LYS 64 -2.499 -10.795 1.244 529 2HB LYS 64 1HB LYS 64 -0.983 -11.042 0.389 530 1HG LYS 64 2HG LYS 64 -0.965 -13.273 0.774 531 2HG LYS 64 1HG LYS 64 -1.777 -13.123 2.334 532 1HD LYS 64 2HD LYS 64 -3.662 -13.770 1.340 533 2HD LYS 64 1HD LYS 64 -3.641 -12.257 0.433 534 1HE LYS 64 2HE LYS 64 -1.862 -14.294 -0.668 535 2HE LYS 64 1HE LYS 64 -3.557 -14.782 -0.646 536 1HZ LYS 64 1HZ LYS 64 -2.483 -12.293 -1.858 537 2HZ LYS 64 2HZ LYS 64 -4.114 -12.738 -1.822 538 3HZ LYS 64 3HZ LYS 64 -3.004 -13.663 -2.703 539 H MET 65 H MET 65 0.161 -8.502 1.888 540 HA MET 65 HA MET 65 2.548 -9.236 0.599 541 1HB MET 65 2HB MET 65 1.533 -6.670 1.779 542 2HB MET 65 1HB MET 65 3.150 -6.773 1.098 543 1HG MET 65 2HG MET 65 1.514 -7.903 -0.836 544 2HG MET 65 1HG MET 65 0.596 -6.528 -0.224 545 1HE MET 65 1HE MET 65 1.982 -3.636 -1.976 546 2HE MET 65 2HE MET 65 1.708 -3.903 -0.254 547 3HE MET 65 3HE MET 65 0.586 -4.570 -1.439 548 H VAL 66 H VAL 66 1.792 -9.358 3.885 549 HA VAL 66 HA VAL 66 4.628 -9.105 4.639 550 HB VAL 66 HB VAL 66 3.826 -8.750 6.948 551 1HG1 VAL 66 1HG1 VAL 66 2.365 -6.678 5.433 552 2HG1 VAL 66 2HG1 VAL 66 4.049 -6.938 4.980 553 3HG1 VAL 66 3HG1 VAL 66 3.639 -6.515 6.642 554 1HG2 VAL 66 1HG2 VAL 66 1.106 -8.759 5.647 555 2HG2 VAL 66 2HG2 VAL 66 1.431 -8.191 7.285 556 3HG2 VAL 66 3HG2 VAL 66 1.706 -9.882 6.867 557 H GLU 67 H GLU 67 1.703 -11.054 5.133 558 HA GLU 67 HA GLU 67 3.197 -13.045 6.622 559 1HB GLU 67 2HB GLU 67 0.345 -12.498 6.055 560 2HB GLU 67 1HB GLU 67 0.778 -14.186 6.288 561 1HG GLU 67 2HG GLU 67 2.056 -12.927 8.370 562 2HG GLU 67 1HG GLU 67 0.546 -12.029 8.223 563 H ASN 68 H ASN 68 0.955 -13.369 3.880 564 HA ASN 68 HA ASN 68 2.065 -15.846 3.059 565 1HB ASN 68 2HB ASN 68 -0.226 -14.364 2.459 566 2HB ASN 68 1HB ASN 68 0.648 -14.471 0.934 567 1HD2 ASN 68 1HD2 ASN 68 0.340 -16.224 -0.234 568 2HD2 ASN 68 2HD2 ASN 68 -0.301 -17.724 0.336 569 H ALA 69 H ALA 69 2.722 -12.532 2.210 570 HA ALA 69 HA ALA 69 4.175 -13.090 -0.177 571 1HB ALA 69 1HB ALA 69 3.094 -10.869 0.722 572 2HB ALA 69 2HB ALA 69 4.509 -10.833 -0.333 573 3HB ALA 69 3HB ALA 69 4.702 -10.630 1.409 574 H LYS 70 H LYS 70 6.531 -12.344 -0.354 575 HA LYS 70 HA LYS 70 8.039 -13.602 1.837 576 1HB LYS 70 2HB LYS 70 8.087 -14.007 -0.968 577 2HB LYS 70 1HB LYS 70 9.620 -13.267 -0.532 578 1HG LYS 70 2HG LYS 70 9.729 -15.056 1.306 579 2HG LYS 70 1HG LYS 70 8.462 -15.870 0.385 580 1HD LYS 70 2HD LYS 70 10.273 -15.242 -1.564 581 2HD LYS 70 1HD LYS 70 11.321 -15.583 -0.185 582 1HE LYS 70 2HE LYS 70 9.950 -17.709 0.119 583 2HE LYS 70 1HE LYS 70 9.299 -17.385 -1.488 584 1HZ LYS 70 1HZ LYS 70 11.229 -17.935 -2.479 585 2HZ LYS 70 2HZ LYS 70 11.478 -18.831 -1.065 586 3HZ LYS 70 3HZ LYS 70 12.194 -17.308 -1.238 587 H LYS 71 H LYS 71 8.428 -11.047 -0.627 588 HA LYS 71 HA LYS 71 9.318 -9.141 1.297 589 1HB LYS 71 2HB LYS 71 11.292 -10.885 0.405 590 2HB LYS 71 1HB LYS 71 11.521 -9.449 -0.584 591 1HG LYS 71 2HG LYS 71 11.116 -8.730 2.174 592 2HG LYS 71 1HG LYS 71 12.436 -9.888 2.011 593 1HD LYS 71 2HD LYS 71 12.314 -7.581 0.129 594 2HD LYS 71 1HD LYS 71 12.857 -7.297 1.784 595 1HE LYS 71 2HE LYS 71 14.770 -8.506 1.512 596 2HE LYS 71 1HE LYS 71 14.040 -9.598 0.335 597 1HZ LYS 71 1HZ LYS 71 15.449 -8.376 -0.972 598 2HZ LYS 71 2HZ LYS 71 15.240 -6.950 -0.085 599 3HZ LYS 71 3HZ LYS 71 14.025 -7.476 -1.138 600 H ILE 72 H ILE 72 9.977 -7.072 0.250 601 HA ILE 72 HA ILE 72 9.133 -6.813 -2.535 602 HB ILE 72 HB ILE 72 8.068 -4.854 -0.528 603 1HG1 ILE 72 2HG1 ILE 72 5.859 -6.241 -1.008 604 2HG1 ILE 72 1HG1 ILE 72 7.009 -7.558 -1.215 605 1HG2 ILE 72 1HG2 ILE 72 6.304 -5.037 -2.601 606 2HG2 ILE 72 2HG2 ILE 72 7.850 -5.316 -3.397 607 3HG2 ILE 72 3HG2 ILE 72 7.595 -3.844 -2.462 608 1HD1 ILE 72 1HD1 ILE 72 7.475 -7.670 0.979 609 2HD1 ILE 72 2HD1 ILE 72 5.898 -6.894 1.133 610 3HD1 ILE 72 3HD1 ILE 72 7.370 -5.924 1.200 611 H GLU 73 H GLU 73 9.644 -4.666 -3.433 612 HA GLU 73 HA GLU 73 11.820 -3.287 -2.031 613 1HB GLU 73 2HB GLU 73 12.931 -4.792 -3.546 614 2HB GLU 73 1HB GLU 73 11.867 -4.332 -4.866 615 1HG GLU 73 2HG GLU 73 13.280 -2.751 -5.474 616 2HG GLU 73 1HG GLU 73 13.130 -1.985 -3.894 617 H VAL 74 H VAL 74 11.820 -1.099 -2.267 618 HA VAL 74 HA VAL 74 9.565 0.038 -3.740 619 HB VAL 74 HB VAL 74 9.835 0.683 -1.375 620 1HG1 VAL 74 1HG1 VAL 74 12.270 2.254 -2.150 621 2HG1 VAL 74 2HG1 VAL 74 12.396 0.607 -1.533 622 3HG1 VAL 74 3HG1 VAL 74 11.664 1.868 -0.539 623 1HG2 VAL 74 1HG2 VAL 74 9.785 3.182 -1.762 624 2HG2 VAL 74 2HG2 VAL 74 8.652 2.227 -2.718 625 3HG2 VAL 74 3HG2 VAL 74 10.135 2.835 -3.454 626 H GLU 75 H GLU 75 9.973 0.558 -5.777 627 HA GLU 75 HA GLU 75 12.446 2.047 -6.360 628 1HB GLU 75 2HB GLU 75 12.308 0.928 -8.672 629 2HB GLU 75 1HB GLU 75 12.916 -0.031 -7.329 630 1HG GLU 75 2HG GLU 75 10.507 -0.867 -7.090 631 2HG GLU 75 1HG GLU 75 10.263 -0.195 -8.702 632 H PHE 76 H PHE 76 12.255 3.789 -7.692 633 HA PHE 76 HA PHE 76 9.998 4.261 -9.362 634 1HB PHE 76 2HB PHE 76 9.613 4.915 -6.668 635 2HB PHE 76 1HB PHE 76 9.959 6.448 -7.459 636 HD1 PHE 76 1HD PHE 76 7.341 5.251 -6.167 637 HD2 PHE 76 2HD PHE 76 8.736 5.761 -10.155 638 HE1 PHE 76 1HE PHE 76 5.015 5.355 -6.963 639 HE2 PHE 76 2HE PHE 76 6.412 5.866 -10.959 640 HZ PHE 76 HZ PHE 76 4.548 5.663 -9.360 641 H ASP 77 H ASP 77 10.564 5.643 -10.935 642 HA ASP 77 HA ASP 77 13.185 6.658 -11.089 643 1HB ASP 77 2HB ASP 77 12.324 7.872 -13.119 644 2HB ASP 77 1HB ASP 77 12.025 6.136 -13.118 645 H LYS 78 H LYS 78 10.184 8.044 -9.974 646 HA LYS 78 HA LYS 78 11.520 10.637 -9.594 647 1HB LYS 78 2HB LYS 78 8.797 9.861 -10.312 648 2HB LYS 78 1HB LYS 78 8.845 11.025 -8.994 649 1HG LYS 78 2HG LYS 78 10.326 12.449 -10.429 650 2HG LYS 78 1HG LYS 78 10.002 11.328 -11.753 651 1HD LYS 78 2HD LYS 78 8.316 12.771 -12.184 652 2HD LYS 78 1HD LYS 78 7.485 11.826 -10.946 653 1HE LYS 78 2HE LYS 78 8.500 13.509 -9.283 654 2HE LYS 78 1HE LYS 78 8.795 14.513 -10.703 655 1HZ LYS 78 1HZ LYS 78 6.738 15.228 -10.009 656 2HZ LYS 78 2HZ LYS 78 6.233 13.692 -9.513 657 3HZ LYS 78 3HZ LYS 78 6.304 14.066 -11.162 658 H GLY 79 H GLY 79 9.394 8.300 -7.958 659 1HA GLY 79 2HA GLY 79 9.975 7.608 -5.700 660 2HA GLY 79 1HA GLY 79 10.508 9.255 -5.398 661 H GLN 80 H GLN 80 8.317 10.626 -6.522 662 HA GLN 80 HA GLN 80 6.265 9.988 -4.520 663 1HB GLN 80 2HB GLN 80 7.552 12.389 -5.158 664 2HB GLN 80 1HB GLN 80 5.933 12.556 -5.821 665 1HG GLN 80 2HG GLN 80 5.183 13.061 -3.808 666 2HG GLN 80 1HG GLN 80 5.641 11.453 -3.249 667 1HE2 GLN 80 1HE2 GLN 80 6.387 14.801 -3.231 668 2HE2 GLN 80 2HE2 GLN 80 7.727 14.726 -2.143 669 H ARG 81 H ARG 81 4.521 8.982 -5.248 670 HA ARG 81 HA ARG 81 3.869 8.987 -8.063 671 1HB ARG 81 2HB ARG 81 3.683 6.911 -6.797 672 2HB ARG 81 1HB ARG 81 2.521 7.656 -5.708 673 1HG ARG 81 2HG ARG 81 1.217 6.385 -7.152 674 2HG ARG 81 1HG ARG 81 1.081 8.025 -7.787 675 1HD ARG 81 2HD ARG 81 3.234 7.157 -9.155 676 2HD ARG 81 1HD ARG 81 2.366 5.636 -8.945 677 HE ARG 81 HE ARG 81 0.751 7.821 -9.916 678 1HH1 ARG 81 1HH1 ARG 81 2.807 5.139 -10.790 679 2HH1 ARG 81 2HH1 ARG 81 2.131 4.977 -12.375 680 1HH2 ARG 81 1HH2 ARG 81 -0.138 7.609 -12.000 681 2HH2 ARG 81 2HH2 ARG 81 0.460 6.377 -13.063 682 H THR 82 H THR 82 2.123 9.840 -5.067 683 HA THR 82 HA THR 82 0.531 11.723 -6.668 684 HB THR 82 HB THR 82 -0.372 10.079 -4.308 685 HG1 THR 82 1HG THR 82 -1.308 8.837 -5.730 686 1HG2 THR 82 1HG2 THR 82 -1.983 12.004 -5.966 687 2HG2 THR 82 2HG2 THR 82 -1.457 12.280 -4.306 688 3HG2 THR 82 3HG2 THR 82 -2.584 10.974 -4.666 689 H ASP 83 H ASP 83 -0.263 13.614 -5.523 690 HA ASP 83 HA ASP 83 1.694 14.547 -3.554 691 1HB ASP 83 2HB ASP 83 0.809 16.812 -4.110 692 2HB ASP 83 1HB ASP 83 1.478 15.965 -5.501 693 H LYS 84 H LYS 84 -0.056 12.805 -2.481 694 HA LYS 84 HA LYS 84 -2.210 14.298 -1.211 695 1HB LYS 84 2HB LYS 84 -2.970 12.170 -0.349 696 2HB LYS 84 1HB LYS 84 -2.632 12.001 -2.064 697 1HG LYS 84 2HG LYS 84 -0.597 11.244 -0.001 698 2HG LYS 84 1HG LYS 84 -1.888 10.141 -0.467 699 1HD LYS 84 2HD LYS 84 -0.753 9.543 -2.273 700 2HD LYS 84 1HD LYS 84 -0.726 11.211 -2.829 701 1HE LYS 84 2HE LYS 84 1.352 11.631 -1.897 702 2HE LYS 84 1HE LYS 84 1.203 10.321 -0.733 703 1HZ LYS 84 1HZ LYS 84 1.144 9.269 -3.347 704 2HZ LYS 84 2HZ LYS 84 2.269 8.985 -2.117 705 3HZ LYS 84 3HZ LYS 84 2.497 10.273 -3.186 706 H TYR 85 H TYR 85 0.805 12.683 -0.415 707 HA TYR 85 HA TYR 85 1.105 14.292 1.953 708 1HB TYR 85 2HB TYR 85 -0.316 12.205 2.539 709 2HB TYR 85 1HB TYR 85 1.195 11.317 2.374 710 HD1 TYR 85 1HD TYR 85 1.961 10.730 4.467 711 HD2 TYR 85 2HD TYR 85 0.367 14.632 3.893 712 HE1 TYR 85 1HE TYR 85 2.554 11.308 6.784 713 HE2 TYR 85 2HE TYR 85 0.955 15.221 6.207 714 HH TYR 85 HH TYR 85 1.352 13.989 8.376 715 H GLY 86 H GLY 86 2.432 13.178 -0.713 716 1HA GLY 86 2HA GLY 86 4.591 12.895 -1.439 717 2HA GLY 86 1HA GLY 86 5.089 13.641 0.073 718 H ARG 87 H ARG 87 3.224 10.684 -0.111 719 HA ARG 87 HA ARG 87 5.249 8.789 -0.091 720 1HB ARG 87 2HB ARG 87 5.110 8.258 2.454 721 2HB ARG 87 1HB ARG 87 6.212 9.506 1.889 722 1HG ARG 87 2HG ARG 87 3.659 10.671 2.446 723 2HG ARG 87 1HG ARG 87 4.195 9.722 3.833 724 1HD ARG 87 2HD ARG 87 6.435 10.915 3.565 725 2HD ARG 87 1HD ARG 87 5.584 12.023 2.490 726 HE ARG 87 HE ARG 87 4.291 11.707 5.028 727 1HH1 ARG 87 1HH1 ARG 87 6.812 13.408 3.316 728 2HH1 ARG 87 2HH1 ARG 87 6.797 14.767 4.389 729 1HH2 ARG 87 1HH2 ARG 87 4.268 13.495 6.442 730 2HH2 ARG 87 2HH2 ARG 87 5.354 14.817 6.164 731 H GLY 88 H GLY 88 2.064 9.786 0.855 732 1HA GLY 88 2HA GLY 88 0.840 7.535 1.781 733 2HA GLY 88 1HA GLY 88 0.060 8.666 0.687 734 H LEU 89 H LEU 89 0.322 8.290 -1.641 735 HA LEU 89 HA LEU 89 0.067 5.478 -2.228 736 1HB LEU 89 2HB LEU 89 -0.980 7.807 -3.301 737 2HB LEU 89 1HB LEU 89 0.149 7.266 -4.528 738 HG LEU 89 HG LEU 89 -1.863 5.362 -3.382 739 1HD1 LEU 89 1HD1 LEU 89 -2.544 6.722 -5.904 740 2HD1 LEU 89 2HD1 LEU 89 -2.731 7.678 -4.435 741 3HD1 LEU 89 3HD1 LEU 89 -3.586 6.145 -4.605 742 1HD2 LEU 89 1HD2 LEU 89 -0.136 4.373 -4.716 743 2HD2 LEU 89 2HD2 LEU 89 -0.369 5.567 -5.991 744 3HD2 LEU 89 3HD2 LEU 89 -1.628 4.377 -5.657 745 H ALA 90 H ALA 90 1.670 4.189 -2.827 746 HA ALA 90 HA ALA 90 3.882 5.259 -4.404 747 1HB ALA 90 1HB ALA 90 5.590 4.518 -2.988 748 2HB ALA 90 2HB ALA 90 4.486 3.542 -2.018 749 3HB ALA 90 3HB ALA 90 4.436 5.302 -1.908 750 H TYR 91 H TYR 91 4.959 3.721 -5.668 751 HA TYR 91 HA TYR 91 3.378 1.468 -6.416 752 1HB TYR 91 2HB TYR 91 5.396 2.997 -7.606 753 2HB TYR 91 1HB TYR 91 6.088 1.387 -7.446 754 HD1 TYR 91 1HD TYR 91 5.129 -0.505 -8.651 755 HD2 TYR 91 2HD TYR 91 3.510 3.408 -9.066 756 HE1 TYR 91 1HE TYR 91 3.892 -1.235 -10.647 757 HE2 TYR 91 2HE TYR 91 2.269 2.690 -11.064 758 HH TYR 91 HH TYR 91 1.817 -0.521 -11.890 759 H ILE 92 H ILE 92 3.742 -0.700 -6.102 760 HA ILE 92 HA ILE 92 5.939 -1.427 -4.280 761 HB ILE 92 HB ILE 92 3.205 -2.685 -4.156 762 1HG1 ILE 92 2HG1 ILE 92 3.052 -0.283 -3.579 763 2HG1 ILE 92 1HG1 ILE 92 2.752 -1.321 -2.187 764 1HG2 ILE 92 1HG2 ILE 92 5.755 -2.961 -2.671 765 2HG2 ILE 92 2HG2 ILE 92 4.562 -4.182 -3.116 766 3HG2 ILE 92 3HG2 ILE 92 4.255 -3.103 -1.754 767 1HD1 ILE 92 1HD1 ILE 92 5.512 -0.324 -2.637 768 2HD1 ILE 92 2HD1 ILE 92 4.670 -0.687 -1.132 769 3HD1 ILE 92 3HD1 ILE 92 4.295 0.792 -2.018 770 H TYR 93 H TYR 93 7.235 -2.896 -5.156 771 HA TYR 93 HA TYR 93 6.109 -4.757 -7.148 772 1HB TYR 93 2HB TYR 93 9.024 -4.032 -7.030 773 2HB TYR 93 1HB TYR 93 8.106 -4.693 -8.378 774 HD1 TYR 93 1HD TYR 93 8.422 -1.632 -6.277 775 HD2 TYR 93 2HD TYR 93 7.308 -3.270 -10.041 776 HE1 TYR 93 1HE TYR 93 8.118 0.639 -7.169 777 HE2 TYR 93 2HE TYR 93 7.001 -1.003 -10.944 778 HH TYR 93 HH TYR 93 6.591 1.248 -10.170 779 H ALA 94 H ALA 94 5.574 -6.136 -5.310 780 HA ALA 94 HA ALA 94 7.701 -7.254 -3.735 781 1HB ALA 94 1HB ALA 94 5.359 -6.936 -2.914 782 2HB ALA 94 2HB ALA 94 6.017 -8.553 -2.660 783 3HB ALA 94 3HB ALA 94 4.874 -8.261 -3.972 784 H ASP 95 H ASP 95 9.103 -8.616 -4.601 785 HA ASP 95 HA ASP 95 9.971 -10.447 -5.634 786 1HB ASP 95 2HB ASP 95 7.136 -11.394 -6.085 787 2HB ASP 95 1HB ASP 95 8.600 -12.370 -6.028 788 H GLY 96 H GLY 96 9.723 -8.148 -7.086 789 1HA GLY 96 2HA GLY 96 9.767 -7.345 -9.235 790 2HA GLY 96 1HA GLY 96 10.026 -9.014 -9.722 791 H LYS 97 H LYS 97 7.160 -8.164 -7.966 792 HA LYS 97 HA LYS 97 5.603 -8.155 -10.449 793 1HB LYS 97 2HB LYS 97 5.424 -10.059 -8.182 794 2HB LYS 97 1HB LYS 97 3.907 -9.513 -8.883 795 1HG LYS 97 2HG LYS 97 4.188 -10.716 -10.749 796 2HG LYS 97 1HG LYS 97 5.913 -10.355 -10.844 797 1HD LYS 97 2HD LYS 97 6.405 -12.037 -9.190 798 2HD LYS 97 1HD LYS 97 4.685 -12.324 -8.918 799 1HE LYS 97 2HE LYS 97 4.495 -13.637 -10.729 800 2HE LYS 97 1HE LYS 97 5.524 -12.596 -11.711 801 1HZ LYS 97 1HZ LYS 97 6.221 -14.924 -10.120 802 2HZ LYS 97 2HZ LYS 97 7.321 -13.641 -10.055 803 3HZ LYS 97 3HZ LYS 97 6.920 -14.336 -11.544 804 H MET 98 H MET 98 3.595 -7.101 -10.357 805 HA MET 98 HA MET 98 3.306 -5.287 -8.053 806 1HB MET 98 2HB MET 98 2.200 -4.794 -10.812 807 2HB MET 98 1HB MET 98 2.415 -3.637 -9.507 808 1HG MET 98 2HG MET 98 4.432 -3.115 -10.238 809 2HG MET 98 1HG MET 98 4.940 -4.801 -10.154 810 1HE MET 98 1HE MET 98 3.748 -2.086 -13.338 811 2HE MET 98 2HE MET 98 2.804 -2.368 -11.877 812 3HE MET 98 3HE MET 98 2.365 -3.178 -13.380 813 H VAL 99 H VAL 99 1.781 -6.075 -6.746 814 HA VAL 99 HA VAL 99 -0.379 -7.700 -7.652 815 HB VAL 99 HB VAL 99 -0.211 -6.322 -4.977 816 1HG1 VAL 99 1HG1 VAL 99 -1.251 -8.793 -4.563 817 2HG1 VAL 99 2HG1 VAL 99 -1.872 -8.427 -6.172 818 3HG1 VAL 99 3HG1 VAL 99 -2.211 -7.339 -4.828 819 1HG2 VAL 99 1HG2 VAL 99 0.785 -8.716 -4.409 820 2HG2 VAL 99 2HG2 VAL 99 1.813 -7.366 -4.890 821 3HG2 VAL 99 3HG2 VAL 99 1.357 -8.592 -6.074 822 H ASN 100 H ASN 100 0.081 -4.384 -7.772 823 HA ASN 100 HA ASN 100 -2.401 -3.327 -7.064 824 1HB ASN 100 2HB ASN 100 -0.174 -2.474 -8.842 825 2HB ASN 100 1HB ASN 100 -1.713 -1.639 -9.012 826 1HD2 ASN 100 1HD2 ASN 100 0.761 -2.556 -6.680 827 2HD2 ASN 100 2HD2 ASN 100 0.511 -1.219 -5.615 828 H GLU 101 H GLU 101 -1.530 -5.299 -9.742 829 HA GLU 101 HA GLU 101 -3.850 -4.505 -11.310 830 1HB GLU 101 2HB GLU 101 -1.445 -6.201 -11.784 831 2HB GLU 101 1HB GLU 101 -2.888 -6.529 -12.736 832 1HG GLU 101 2HG GLU 101 -2.904 -4.185 -13.479 833 2HG GLU 101 1HG GLU 101 -1.419 -3.908 -12.571 834 H ALA 102 H ALA 102 -3.003 -6.860 -8.971 835 HA ALA 102 HA ALA 102 -4.632 -9.001 -9.744 836 1HB ALA 102 1HB ALA 102 -4.569 -9.603 -7.301 837 2HB ALA 102 2HB ALA 102 -3.667 -8.111 -7.039 838 3HB ALA 102 3HB ALA 102 -3.001 -9.375 -8.073 839 H LEU 103 H LEU 103 -5.452 -7.227 -6.795 840 HA LEU 103 HA LEU 103 -8.245 -7.206 -7.711 841 1HB LEU 103 2HB LEU 103 -8.700 -7.023 -5.165 842 2HB LEU 103 1HB LEU 103 -8.318 -8.576 -5.878 843 HG LEU 103 HG LEU 103 -7.215 -8.109 -3.679 844 1HD1 LEU 103 1HD1 LEU 103 -4.864 -8.429 -5.313 845 2HD1 LEU 103 2HD1 LEU 103 -6.215 -9.362 -5.956 846 3HD1 LEU 103 3HD1 LEU 103 -5.695 -9.600 -4.289 847 1HD2 LEU 103 1HD2 LEU 103 -6.744 -5.652 -4.499 848 2HD2 LEU 103 2HD2 LEU 103 -5.245 -6.379 -5.082 849 3HD2 LEU 103 3HD2 LEU 103 -5.660 -6.468 -3.372 850 H VAL 104 H VAL 104 -5.649 -5.235 -6.587 851 HA VAL 104 HA VAL 104 -6.985 -3.062 -5.504 852 HB VAL 104 HB VAL 104 -4.565 -2.804 -7.280 853 1HG1 VAL 104 1HG1 VAL 104 -5.954 -1.084 -5.343 854 2HG1 VAL 104 2HG1 VAL 104 -4.943 -0.657 -6.723 855 3HG1 VAL 104 3HG1 VAL 104 -4.199 -1.124 -5.194 856 1HG2 VAL 104 1HG2 VAL 104 -3.640 -4.334 -5.910 857 2HG2 VAL 104 2HG2 VAL 104 -4.882 -4.129 -4.676 858 3HG2 VAL 104 3HG2 VAL 104 -3.546 -2.984 -4.780 859 H ARG 105 H ARG 105 -6.877 -4.134 -8.786 860 HA ARG 105 HA ARG 105 -7.381 -1.761 -10.160 861 1HB ARG 105 2HB ARG 105 -7.688 -4.631 -10.679 862 2HB ARG 105 1HB ARG 105 -8.829 -3.629 -11.565 863 1HG ARG 105 2HG ARG 105 -7.093 -2.441 -12.644 864 2HG ARG 105 1HG ARG 105 -5.869 -3.114 -11.565 865 1HD ARG 105 2HD ARG 105 -5.915 -5.186 -12.592 866 2HD ARG 105 1HD ARG 105 -7.532 -4.938 -13.248 867 HE ARG 105 HE ARG 105 -5.033 -4.154 -14.439 868 1HH1 ARG 105 1HH1 ARG 105 -8.468 -3.545 -14.321 869 2HH1 ARG 105 2HH1 ARG 105 -8.526 -2.849 -15.906 870 1HH2 ARG 105 1HH2 ARG 105 -5.108 -3.240 -16.524 871 2HH2 ARG 105 2HH2 ARG 105 -6.619 -2.677 -17.158 872 H GLN 106 H GLN 106 -9.424 -3.629 -8.087 873 HA GLN 106 HA GLN 106 -11.789 -2.127 -8.968 874 1HB GLN 106 2HB GLN 106 -11.408 -4.716 -7.513 875 2HB GLN 106 1HB GLN 106 -12.911 -3.825 -7.317 876 1HG GLN 106 2HG GLN 106 -13.403 -3.985 -9.635 877 2HG GLN 106 1HG GLN 106 -11.798 -4.614 -9.994 878 1HE2 GLN 106 1HE2 GLN 106 -12.306 -6.556 -10.824 879 2HE2 GLN 106 2HE2 GLN 106 -13.147 -7.799 -9.967 880 H GLY 107 H GLY 107 -9.485 -1.245 -7.142 881 1HA GLY 107 2HA GLY 107 -9.460 0.382 -5.483 882 2HA GLY 107 1HA GLY 107 -11.181 0.133 -5.250 883 H LEU 108 H LEU 108 -9.949 -2.878 -5.150 884 HA LEU 108 HA LEU 108 -9.235 -4.328 -3.542 885 1HB LEU 108 2HB LEU 108 -8.913 -2.150 -1.520 886 2HB LEU 108 1HB LEU 108 -8.017 -3.645 -1.698 887 HG LEU 108 HG LEU 108 -7.599 -1.962 -4.005 888 1HD1 LEU 108 1HD1 LEU 108 -6.114 -0.424 -2.340 889 2HD1 LEU 108 2HD1 LEU 108 -7.580 -0.642 -1.384 890 3HD1 LEU 108 3HD1 LEU 108 -7.679 0.046 -3.005 891 1HD2 LEU 108 1HD2 LEU 108 -6.193 -3.855 -3.221 892 2HD2 LEU 108 2HD2 LEU 108 -5.690 -2.861 -1.853 893 3HD2 LEU 108 3HD2 LEU 108 -5.290 -2.365 -3.497 894 H ALA 109 H ALA 109 -11.538 -4.812 -3.756 895 HA ALA 109 HA ALA 109 -12.963 -5.831 -1.956 896 1HB ALA 109 1HB ALA 109 -13.166 -2.919 -1.199 897 2HB ALA 109 2HB ALA 109 -12.567 -4.250 -0.208 898 3HB ALA 109 3HB ALA 109 -14.279 -4.162 -0.626 899 H LYS 110 H LYS 110 -13.948 -2.620 -3.082 900 HA LYS 110 HA LYS 110 -15.548 -1.933 -4.552 901 1HB LYS 110 2HB LYS 110 -14.251 -3.959 -5.851 902 2HB LYS 110 1HB LYS 110 -15.913 -4.531 -5.887 903 1HG LYS 110 2HG LYS 110 -15.411 -1.713 -6.664 904 2HG LYS 110 1HG LYS 110 -14.907 -2.983 -7.782 905 1HD LYS 110 2HD LYS 110 -17.031 -3.554 -8.295 906 2HD LYS 110 1HD LYS 110 -17.608 -3.290 -6.648 907 1HE LYS 110 2HE LYS 110 -17.667 -0.907 -7.002 908 2HE LYS 110 1HE LYS 110 -16.935 -1.089 -8.596 909 1HZ LYS 110 1HZ LYS 110 -19.390 -2.576 -8.144 910 2HZ LYS 110 2HZ LYS 110 -18.879 -1.718 -9.511 911 3HZ LYS 110 3HZ LYS 110 -19.554 -0.892 -8.198 Start of MODEL 9 1 1H ALA 1 1HT ALA 1 7.696 13.821 -27.971 2 2H ALA 1 2HT ALA 1 8.671 15.202 -28.267 3 3H ALA 1 3HT ALA 1 7.790 15.071 -26.801 4 HA ALA 1 HA ALA 1 9.892 13.198 -27.635 5 1HB ALA 1 1HB ALA 1 11.481 14.570 -26.890 6 2HB ALA 1 2HB ALA 1 10.556 14.981 -25.445 7 3HB ALA 1 3HB ALA 1 10.271 15.852 -26.952 8 H THR 2 H THR 2 10.696 11.983 -25.767 9 HA THR 2 HA THR 2 8.573 11.549 -23.770 10 HB THR 2 HB THR 2 8.696 9.616 -25.158 11 HG1 THR 2 1HG THR 2 8.636 8.489 -23.410 12 1HG2 THR 2 1HG2 THR 2 11.102 8.410 -24.983 13 2HG2 THR 2 2HG2 THR 2 11.586 10.101 -25.111 14 3HG2 THR 2 3HG2 THR 2 10.569 9.378 -26.357 15 H SER 3 H SER 3 9.116 11.416 -21.637 16 HA SER 3 HA SER 3 11.882 12.143 -20.971 17 1HB SER 3 2HB SER 3 11.052 13.118 -18.961 18 2HB SER 3 1HB SER 3 9.950 13.624 -20.243 19 HG SER 3 HG SER 3 9.479 12.072 -18.043 20 H THR 4 H THR 4 13.165 10.739 -19.970 21 HA THR 4 HA THR 4 12.324 8.087 -19.426 22 HB THR 4 HB THR 4 14.654 8.019 -18.260 23 HG1 THR 4 1HG THR 4 15.991 9.730 -18.877 24 1HG2 THR 4 1HG2 THR 4 14.593 6.995 -20.334 25 2HG2 THR 4 2HG2 THR 4 15.820 8.247 -20.533 26 3HG2 THR 4 3HG2 THR 4 14.195 8.495 -21.174 27 H LYS 5 H LYS 5 11.431 7.246 -17.663 28 HA LYS 5 HA LYS 5 10.966 8.915 -15.356 29 1HB LYS 5 2HB LYS 5 9.316 7.253 -16.413 30 2HB LYS 5 1HB LYS 5 10.242 6.004 -15.593 31 1HG LYS 5 2HG LYS 5 9.170 6.382 -13.694 32 2HG LYS 5 1HG LYS 5 9.598 8.092 -13.744 33 1HD LYS 5 2HD LYS 5 7.651 8.068 -15.589 34 2HD LYS 5 1HD LYS 5 7.110 6.729 -14.574 35 1HE LYS 5 2HE LYS 5 7.707 9.541 -13.663 36 2HE LYS 5 1HE LYS 5 6.108 8.818 -13.838 37 1HZ LYS 5 1HZ LYS 5 6.392 8.411 -11.657 38 2HZ LYS 5 2HZ LYS 5 8.080 8.469 -11.735 39 3HZ LYS 5 3HZ LYS 5 7.262 7.066 -12.207 40 H LYS 6 H LYS 6 12.148 8.962 -13.562 41 HA LYS 6 HA LYS 6 14.400 7.166 -13.286 42 1HB LYS 6 2HB LYS 6 13.466 9.571 -11.724 43 2HB LYS 6 1HB LYS 6 14.842 8.595 -11.224 44 1HG LYS 6 2HG LYS 6 14.677 9.839 -13.950 45 2HG LYS 6 1HG LYS 6 15.332 10.698 -12.555 46 1HD LYS 6 2HD LYS 6 16.402 7.991 -12.942 47 2HD LYS 6 1HD LYS 6 16.787 9.128 -14.236 48 1HE LYS 6 2HE LYS 6 17.118 10.187 -11.516 49 2HE LYS 6 1HE LYS 6 18.206 8.863 -11.934 50 1HZ LYS 6 1HZ LYS 6 19.423 10.550 -12.763 51 2HZ LYS 6 2HZ LYS 6 18.095 11.573 -12.979 52 3HZ LYS 6 3HZ LYS 6 18.420 10.359 -14.112 53 H LEU 7 H LEU 7 14.080 5.224 -12.427 54 HA LEU 7 HA LEU 7 12.392 5.031 -10.022 55 1HB LEU 7 2HB LEU 7 12.644 2.908 -12.150 56 2HB LEU 7 1HB LEU 7 11.620 2.852 -10.729 57 HG LEU 7 HG LEU 7 11.296 4.835 -12.982 58 1HD1 LEU 7 1HD1 LEU 7 10.835 2.229 -13.279 59 2HD1 LEU 7 2HD1 LEU 7 9.803 3.466 -14.000 60 3HD1 LEU 7 3HD1 LEU 7 9.323 2.683 -12.493 61 1HD2 LEU 7 1HD2 LEU 7 9.095 4.214 -11.127 62 2HD2 LEU 7 2HD2 LEU 7 9.582 5.751 -11.840 63 3HD2 LEU 7 3HD2 LEU 7 10.446 5.115 -10.441 64 H HIS 8 H HIS 8 13.862 4.843 -8.437 65 HA HIS 8 HA HIS 8 16.197 3.131 -8.826 66 1HB HIS 8 2HB HIS 8 16.104 5.528 -7.695 67 2HB HIS 8 1HB HIS 8 15.695 4.583 -6.268 68 HD1 HIS 8 1HD HIS 8 17.572 2.209 -6.567 69 HD2 HIS 8 2HD HIS 8 18.715 6.138 -7.292 70 HE1 HIS 8 1HE HIS 8 20.073 2.243 -6.298 71 HE2 HIS 8 2HE HIS 8 20.750 4.610 -6.829 72 H LYS 9 H LYS 9 16.358 1.147 -8.000 73 HA LYS 9 HA LYS 9 14.120 0.031 -6.569 74 1HB LYS 9 2HB LYS 9 15.371 -1.189 -8.366 75 2HB LYS 9 1HB LYS 9 16.742 -1.295 -7.269 76 1HG LYS 9 2HG LYS 9 14.125 -2.287 -6.295 77 2HG LYS 9 1HG LYS 9 14.969 -3.245 -7.513 78 1HD LYS 9 2HD LYS 9 16.560 -3.901 -6.063 79 2HD LYS 9 1HD LYS 9 16.669 -2.305 -5.315 80 1HE LYS 9 2HE LYS 9 14.696 -2.747 -3.995 81 2HE LYS 9 1HE LYS 9 14.458 -4.292 -4.810 82 1HZ LYS 9 1HZ LYS 9 16.533 -5.076 -3.870 83 2HZ LYS 9 2HZ LYS 9 15.492 -4.566 -2.638 84 3HZ LYS 9 3HZ LYS 9 16.789 -3.586 -3.108 85 H GLU 10 H GLU 10 13.912 0.189 -4.449 86 HA GLU 10 HA GLU 10 16.287 -0.133 -2.762 87 1HB GLU 10 2HB GLU 10 15.044 2.311 -3.124 88 2HB GLU 10 1HB GLU 10 14.326 1.715 -1.633 89 1HG GLU 10 2HG GLU 10 16.890 1.200 -1.101 90 2HG GLU 10 1HG GLU 10 17.097 2.559 -2.205 91 HA PRO 11 HA PRO 11 13.635 -3.211 -0.928 92 1HB PRO 11 2HB PRO 11 15.412 -2.923 1.422 93 2HB PRO 11 1HB PRO 11 15.029 -4.360 0.470 94 1HG PRO 11 2HG PRO 11 17.413 -3.165 0.278 95 2HG PRO 11 1HG PRO 11 16.623 -3.884 -1.137 96 1HD PRO 11 2HD PRO 11 16.839 -1.008 -0.339 97 2HD PRO 11 1HD PRO 11 16.943 -1.744 -1.951 98 H ALA 12 H ALA 12 11.707 -2.703 -0.127 99 HA ALA 12 HA ALA 12 11.539 -1.217 2.377 100 1HB ALA 12 1HB ALA 12 9.990 -0.404 -0.081 101 2HB ALA 12 2HB ALA 12 11.315 0.499 0.651 102 3HB ALA 12 3HB ALA 12 9.804 0.281 1.533 103 H THR 13 H THR 13 10.573 -2.711 3.610 104 HA THR 13 HA THR 13 8.208 -4.083 2.511 105 HB THR 13 HB THR 13 9.940 -5.691 2.930 106 HG1 THR 13 1HG THR 13 8.194 -5.816 5.155 107 1HG2 THR 13 1HG2 THR 13 10.472 -5.889 5.561 108 2HG2 THR 13 2HG2 THR 13 10.393 -4.136 5.376 109 3HG2 THR 13 3HG2 THR 13 11.517 -5.077 4.396 110 H LEU 14 H LEU 14 6.591 -4.728 4.165 111 HA LEU 14 HA LEU 14 6.159 -2.505 6.013 112 1HB LEU 14 2HB LEU 14 4.153 -4.650 5.458 113 2HB LEU 14 1HB LEU 14 3.880 -2.988 5.935 114 HG LEU 14 HG LEU 14 5.185 -3.030 3.378 115 1HD1 LEU 14 1HD1 LEU 14 4.320 -5.218 3.007 116 2HD1 LEU 14 2HD1 LEU 14 3.303 -4.085 2.114 117 3HD1 LEU 14 3HD1 LEU 14 2.739 -4.762 3.642 118 1HD2 LEU 14 1HD2 LEU 14 3.651 -1.308 4.517 119 2HD2 LEU 14 2HD2 LEU 14 2.327 -2.296 3.899 120 3HD2 LEU 14 3HD2 LEU 14 3.476 -1.564 2.780 121 H ILE 15 H ILE 15 5.783 -2.774 8.190 122 HA ILE 15 HA ILE 15 6.835 -5.240 9.324 123 HB ILE 15 HB ILE 15 7.616 -3.002 10.118 124 1HG1 ILE 15 2HG1 ILE 15 7.543 -5.243 11.465 125 2HG1 ILE 15 1HG1 ILE 15 7.972 -3.746 12.283 126 1HG2 ILE 15 1HG2 ILE 15 4.868 -2.824 11.345 127 2HG2 ILE 15 2HG2 ILE 15 5.480 -1.829 10.022 128 3HG2 ILE 15 3HG2 ILE 15 6.206 -1.708 11.625 129 1HD1 ILE 15 1HD1 ILE 15 6.493 -4.941 13.692 130 2HD1 ILE 15 2HD1 ILE 15 5.347 -5.202 12.380 131 3HD1 ILE 15 3HD1 ILE 15 5.587 -3.581 13.030 132 H LYS 16 H LYS 16 3.876 -3.310 9.351 133 HA LYS 16 HA LYS 16 2.149 -5.474 9.628 134 1HB LYS 16 2HB LYS 16 3.415 -5.105 12.014 135 2HB LYS 16 1HB LYS 16 1.992 -4.096 12.231 136 1HG LYS 16 2HG LYS 16 0.606 -5.855 12.376 137 2HG LYS 16 1HG LYS 16 1.457 -6.760 11.122 138 1HD LYS 16 2HD LYS 16 2.687 -7.885 12.621 139 2HD LYS 16 1HD LYS 16 3.021 -6.432 13.564 140 1HE LYS 16 2HE LYS 16 1.746 -8.170 14.805 141 2HE LYS 16 1HE LYS 16 0.924 -6.614 14.706 142 1HZ LYS 16 1HZ LYS 16 0.307 -8.512 12.595 143 2HZ LYS 16 2HZ LYS 16 -0.715 -7.460 13.440 144 3HZ LYS 16 3HZ LYS 16 -0.249 -8.928 14.139 145 H ALA 17 H ALA 17 0.259 -4.779 8.875 146 HA ALA 17 HA ALA 17 -0.325 -1.901 9.016 147 1HB ALA 17 1HB ALA 17 -1.410 -4.014 7.157 148 2HB ALA 17 2HB ALA 17 -0.191 -2.802 6.765 149 3HB ALA 17 3HB ALA 17 -1.844 -2.307 7.126 150 H ILE 18 H ILE 18 -2.385 -1.161 9.637 151 HA ILE 18 HA ILE 18 -3.574 -2.386 11.798 152 HB ILE 18 HB ILE 18 -5.644 -0.975 11.191 153 1HG1 ILE 18 2HG1 ILE 18 -3.641 0.123 9.202 154 2HG1 ILE 18 1HG1 ILE 18 -5.138 -0.713 8.799 155 1HG2 ILE 18 1HG2 ILE 18 -3.998 1.147 11.587 156 2HG2 ILE 18 2HG2 ILE 18 -2.972 -0.190 12.102 157 3HG2 ILE 18 3HG2 ILE 18 -4.550 0.051 12.853 158 1HD1 ILE 18 1HD1 ILE 18 -5.218 1.743 10.486 159 2HD1 ILE 18 2HD1 ILE 18 -6.450 1.074 9.419 160 3HD1 ILE 18 3HD1 ILE 18 -5.035 1.877 8.738 161 H ASP 19 H ASP 19 -4.421 -2.664 8.397 162 HA ASP 19 HA ASP 19 -5.253 -5.229 8.354 163 1HB ASP 19 2HB ASP 19 -7.831 -4.923 8.424 164 2HB ASP 19 1HB ASP 19 -6.958 -5.040 9.947 165 H GLY 20 H GLY 20 -7.963 -3.597 7.148 166 1HA GLY 20 2HA GLY 20 -6.843 -3.721 4.460 167 2HA GLY 20 1HA GLY 20 -8.545 -3.579 4.874 168 H ASP 21 H ASP 21 -7.337 -1.382 6.857 169 HA ASP 21 HA ASP 21 -8.117 0.790 5.185 170 1HB ASP 21 2HB ASP 21 -7.592 0.355 7.984 171 2HB ASP 21 1HB ASP 21 -6.815 1.841 7.446 172 H THR 22 H THR 22 -5.140 0.858 7.101 173 HA THR 22 HA THR 22 -3.662 1.597 4.668 174 HB THR 22 HB THR 22 -3.544 2.968 7.359 175 HG1 THR 22 1HG THR 22 -5.086 4.029 6.393 176 1HG2 THR 22 1HG2 THR 22 -1.311 2.898 6.431 177 2HG2 THR 22 2HG2 THR 22 -1.972 4.531 6.334 178 3HG2 THR 22 3HG2 THR 22 -1.911 3.516 4.893 179 H VAL 23 H VAL 23 -1.330 1.357 4.835 180 HA VAL 23 HA VAL 23 -0.529 -0.676 6.810 181 HB VAL 23 HB VAL 23 0.855 -1.758 5.133 182 1HG1 VAL 23 1HG1 VAL 23 -2.036 -1.548 4.942 183 2HG1 VAL 23 2HG1 VAL 23 -0.999 -2.973 4.889 184 3HG1 VAL 23 3HG1 VAL 23 -1.294 -2.044 3.420 185 1HG2 VAL 23 1HG2 VAL 23 1.419 0.181 3.773 186 2HG2 VAL 23 2HG2 VAL 23 -0.251 0.292 3.212 187 3HG2 VAL 23 3HG2 VAL 23 0.739 -1.099 2.767 188 H LYS 24 H LYS 24 1.708 -0.707 7.389 189 HA LYS 24 HA LYS 24 3.051 1.880 6.953 190 1HB LYS 24 2HB LYS 24 2.208 1.115 9.321 191 2HB LYS 24 1HB LYS 24 3.665 0.132 9.302 192 1HG LYS 24 2HG LYS 24 5.067 1.979 9.291 193 2HG LYS 24 1HG LYS 24 3.799 3.061 8.715 194 1HD LYS 24 2HD LYS 24 2.859 2.019 11.139 195 2HD LYS 24 1HD LYS 24 4.559 2.401 11.416 196 1HE LYS 24 2HE LYS 24 3.806 4.615 10.102 197 2HE LYS 24 1HE LYS 24 2.270 4.187 10.854 198 1HZ LYS 24 1HZ LYS 24 3.180 4.379 12.979 199 2HZ LYS 24 2HZ LYS 24 3.826 5.700 12.145 200 3HZ LYS 24 3HZ LYS 24 4.776 4.328 12.418 201 H LEU 25 H LEU 25 5.108 1.894 6.212 202 HA LEU 25 HA LEU 25 6.356 -0.724 5.723 203 1HB LEU 25 2HB LEU 25 6.389 1.840 4.178 204 2HB LEU 25 1HB LEU 25 7.683 0.672 3.984 205 HG LEU 25 HG LEU 25 5.620 -0.973 3.594 206 1HD1 LEU 25 1HD1 LEU 25 4.610 1.762 2.864 207 2HD1 LEU 25 2HD1 LEU 25 3.846 0.558 3.904 208 3HD1 LEU 25 3HD1 LEU 25 3.963 0.277 2.166 209 1HD2 LEU 25 1HD2 LEU 25 6.212 0.692 1.234 210 2HD2 LEU 25 2HD2 LEU 25 6.346 -1.051 1.459 211 3HD2 LEU 25 3HD2 LEU 25 7.607 0.016 2.076 212 H MET 26 H MET 26 8.713 -0.795 5.751 213 HA MET 26 HA MET 26 9.779 0.931 7.878 214 1HB MET 26 2HB MET 26 9.704 -1.638 8.086 215 2HB MET 26 1HB MET 26 11.026 -1.637 6.927 216 1HG MET 26 2HG MET 26 12.411 -1.428 8.636 217 2HG MET 26 1HG MET 26 11.795 0.211 8.848 218 1HE MET 26 1HE MET 26 11.718 -3.369 11.240 219 2HE MET 26 2HE MET 26 12.584 -1.996 11.932 220 3HE MET 26 3HE MET 26 12.912 -2.499 10.275 221 H TYR 27 H TYR 27 10.517 2.682 6.734 222 HA TYR 27 HA TYR 27 12.463 2.173 4.592 223 1HB TYR 27 2HB TYR 27 10.318 3.839 4.561 224 2HB TYR 27 1HB TYR 27 11.580 4.947 5.091 225 HD1 TYR 27 1HD TYR 27 13.558 5.349 3.639 226 HD2 TYR 27 2HD TYR 27 10.231 3.050 2.314 227 HE1 TYR 27 1HE TYR 27 14.307 5.613 1.312 228 HE2 TYR 27 2HE TYR 27 10.972 3.308 -0.015 229 HH TYR 27 HH TYR 27 13.269 5.551 -0.977 230 H LYS 28 H LYS 28 14.334 1.802 5.714 231 HA LYS 28 HA LYS 28 16.241 2.279 6.858 232 1HB LYS 28 2HB LYS 28 15.803 4.438 5.348 233 2HB LYS 28 1HB LYS 28 15.640 5.192 6.928 234 1HG LYS 28 2HG LYS 28 17.991 3.462 6.612 235 2HG LYS 28 1HG LYS 28 17.973 4.907 5.598 236 1HD LYS 28 2HD LYS 28 18.728 6.033 7.368 237 2HD LYS 28 1HD LYS 28 17.140 5.798 8.099 238 1HE LYS 28 2HE LYS 28 18.774 5.053 9.667 239 2HE LYS 28 1HE LYS 28 17.972 3.626 9.012 240 1HZ LYS 28 1HZ LYS 28 19.823 3.072 7.749 241 2HZ LYS 28 2HZ LYS 28 20.503 3.605 9.202 242 3HZ LYS 28 3HZ LYS 28 20.498 4.620 7.850 243 H GLY 29 H GLY 29 13.736 1.839 8.310 244 1HA GLY 29 2HA GLY 29 13.498 1.579 10.643 245 2HA GLY 29 1HA GLY 29 14.634 2.896 10.883 246 H GLN 30 H GLN 30 13.024 4.448 8.787 247 HA GLN 30 HA GLN 30 11.217 5.646 10.707 248 1HB GLN 30 2HB GLN 30 12.692 7.020 9.245 249 2HB GLN 30 1HB GLN 30 11.783 6.454 7.849 250 1HG GLN 30 2HG GLN 30 9.892 7.656 8.430 251 2HG GLN 30 1HG GLN 30 10.383 7.805 10.116 252 1HE2 GLN 30 1HE2 GLN 30 9.523 9.929 8.463 253 2HE2 GLN 30 2HE2 GLN 30 10.842 11.031 8.289 254 HA PRO 31 HA PRO 31 7.812 3.070 9.266 255 1HB PRO 31 2HB PRO 31 6.282 5.145 10.752 256 2HB PRO 31 1HB PRO 31 6.202 3.384 10.874 257 1HG PRO 31 2HG PRO 31 7.410 4.821 12.762 258 2HG PRO 31 1HG PRO 31 8.074 3.261 12.239 259 1HD PRO 31 2HD PRO 31 8.982 6.030 11.574 260 2HD PRO 31 1HD PRO 31 9.943 4.568 11.873 261 H MET 32 H MET 32 7.674 3.489 7.094 262 HA MET 32 HA MET 32 6.734 6.075 6.160 263 1HB MET 32 2HB MET 32 8.534 4.581 5.045 264 2HB MET 32 1HB MET 32 7.171 3.662 4.421 265 1HG MET 32 2HG MET 32 6.404 6.133 3.724 266 2HG MET 32 1HG MET 32 8.154 6.340 3.686 267 1HE MET 32 1HE MET 32 6.372 2.687 2.156 268 2HE MET 32 2HE MET 32 5.366 3.842 1.282 269 3HE MET 32 3HE MET 32 5.466 3.915 3.041 270 H THR 33 H THR 33 4.833 6.387 4.941 271 HA THR 33 HA THR 33 2.731 4.421 5.541 272 HB THR 33 HB THR 33 2.270 7.258 4.645 273 HG1 THR 33 1HG THR 33 2.710 6.306 7.277 274 1HG2 THR 33 1HG2 THR 33 0.173 6.490 4.706 275 2HG2 THR 33 2HG2 THR 33 0.346 6.671 6.452 276 3HG2 THR 33 3HG2 THR 33 0.602 5.096 5.699 277 H PHE 34 H PHE 34 1.459 3.563 3.958 278 HA PHE 34 HA PHE 34 2.080 4.338 1.184 279 1HB PHE 34 2HB PHE 34 3.144 2.215 1.598 280 2HB PHE 34 1HB PHE 34 1.672 1.559 2.308 281 HD1 PHE 34 1HD PHE 34 1.093 -0.218 0.942 282 HD2 PHE 34 2HD PHE 34 2.120 3.515 -0.823 283 HE1 PHE 34 1HE PHE 34 0.417 -1.079 -1.262 284 HE2 PHE 34 2HE PHE 34 1.444 2.662 -3.030 285 HZ PHE 34 HZ PHE 34 0.591 0.363 -3.251 286 H ARG 35 H ARG 35 0.357 5.265 0.332 287 HA ARG 35 HA ARG 35 -1.799 5.811 -0.152 288 1HB ARG 35 2HB ARG 35 -1.406 3.123 -0.732 289 2HB ARG 35 1HB ARG 35 -2.923 3.142 0.157 290 1HG ARG 35 2HG ARG 35 -3.348 5.187 -1.539 291 2HG ARG 35 1HG ARG 35 -2.280 4.179 -2.520 292 1HD ARG 35 2HD ARG 35 -3.907 2.273 -1.665 293 2HD ARG 35 1HD ARG 35 -5.020 3.631 -1.504 294 HE ARG 35 HE ARG 35 -5.225 3.658 -3.771 295 1HH1 ARG 35 1HH1 ARG 35 -2.270 1.988 -2.962 296 2HH1 ARG 35 2HH1 ARG 35 -1.932 1.532 -4.598 297 1HH2 ARG 35 1HH2 ARG 35 -4.782 3.060 -5.925 298 2HH2 ARG 35 2HH2 ARG 35 -3.358 2.141 -6.280 299 H LEU 36 H LEU 36 -2.215 7.006 1.743 300 HA LEU 36 HA LEU 36 -3.688 5.575 3.848 301 1HB LEU 36 2HB LEU 36 -3.357 7.965 4.960 302 2HB LEU 36 1HB LEU 36 -2.134 6.712 5.050 303 HG LEU 36 HG LEU 36 -0.952 7.758 3.144 304 1HD1 LEU 36 1HD1 LEU 36 -1.588 9.944 2.353 305 2HD1 LEU 36 2HD1 LEU 36 -2.966 9.979 3.455 306 3HD1 LEU 36 3HD1 LEU 36 -2.930 8.824 2.122 307 1HD2 LEU 36 1HD2 LEU 36 -1.400 9.046 5.755 308 2HD2 LEU 36 2HD2 LEU 36 -0.626 10.047 4.527 309 3HD2 LEU 36 3HD2 LEU 36 0.097 8.508 4.992 310 H LEU 37 H LEU 37 -5.601 5.480 2.545 311 HA LEU 37 HA LEU 37 -7.066 8.034 2.503 312 1HB LEU 37 2HB LEU 37 -6.371 7.069 0.233 313 2HB LEU 37 1HB LEU 37 -7.548 5.805 0.542 314 HG LEU 37 HG LEU 37 -9.107 7.955 0.952 315 1HD1 LEU 37 1HD1 LEU 37 -7.631 8.949 -1.403 316 2HD1 LEU 37 2HD1 LEU 37 -6.896 9.244 0.173 317 3HD1 LEU 37 3HD1 LEU 37 -8.523 9.832 -0.164 318 1HD2 LEU 37 1HD2 LEU 37 -10.163 7.350 -0.982 319 2HD2 LEU 37 2HD2 LEU 37 -9.138 5.934 -0.742 320 3HD2 LEU 37 3HD2 LEU 37 -8.656 7.187 -1.885 321 H LEU 38 H LEU 38 -9.235 7.975 3.106 322 HA LEU 38 HA LEU 38 -10.109 5.432 4.317 323 1HB LEU 38 2HB LEU 38 -9.617 7.669 5.695 324 2HB LEU 38 1HB LEU 38 -11.273 8.010 5.226 325 HG LEU 38 HG LEU 38 -10.767 5.342 6.411 326 1HD1 LEU 38 1HD1 LEU 38 -9.381 6.891 7.780 327 2HD1 LEU 38 2HD1 LEU 38 -10.708 6.140 8.666 328 3HD1 LEU 38 3HD1 LEU 38 -10.842 7.814 8.129 329 1HD2 LEU 38 1HD2 LEU 38 -12.889 7.153 7.364 330 2HD2 LEU 38 2HD2 LEU 38 -12.959 5.445 6.932 331 3HD2 LEU 38 3HD2 LEU 38 -12.981 6.676 5.670 332 H VAL 39 H VAL 39 -11.487 4.543 2.915 333 HA VAL 39 HA VAL 39 -13.934 5.959 2.292 334 HB VAL 39 HB VAL 39 -13.760 5.289 -0.155 335 1HG1 VAL 39 1HG1 VAL 39 -13.261 7.615 1.067 336 2HG1 VAL 39 2HG1 VAL 39 -13.147 7.404 -0.681 337 3HG1 VAL 39 3HG1 VAL 39 -11.690 7.346 0.312 338 1HG2 VAL 39 1HG2 VAL 39 -11.794 3.799 0.166 339 2HG2 VAL 39 2HG2 VAL 39 -10.808 5.232 0.458 340 3HG2 VAL 39 3HG2 VAL 39 -11.576 4.995 -1.112 341 H ASP 40 H ASP 40 -15.662 4.593 1.969 342 HA ASP 40 HA ASP 40 -15.159 1.741 1.624 343 1HB ASP 40 2HB ASP 40 -15.389 2.604 4.158 344 2HB ASP 40 1HB ASP 40 -17.097 2.408 3.773 345 H THR 41 H THR 41 -16.143 2.012 -0.403 346 HA THR 41 HA THR 41 -19.046 1.951 -0.290 347 HB THR 41 HB THR 41 -17.872 3.688 -2.416 348 HG1 THR 41 1HG THR 41 -18.441 4.575 0.216 349 1HG2 THR 41 1HG2 THR 41 -20.121 3.537 -2.772 350 2HG2 THR 41 2HG2 THR 41 -20.047 4.966 -1.740 351 3HG2 THR 41 3HG2 THR 41 -20.498 3.404 -1.054 352 HA PRO 42 HA PRO 42 -17.305 -0.974 -3.392 353 1HB PRO 42 2HB PRO 42 -17.961 -3.281 -2.246 354 2HB PRO 42 1HB PRO 42 -16.569 -2.355 -1.672 355 1HG PRO 42 2HG PRO 42 -19.300 -2.599 -0.492 356 2HG PRO 42 1HG PRO 42 -17.728 -2.509 0.322 357 1HD PRO 42 2HD PRO 42 -19.505 -0.380 -0.054 358 2HD PRO 42 1HD PRO 42 -17.793 -0.239 0.389 359 H GLU 43 H GLU 43 -20.363 -0.423 -1.990 360 HA GLU 43 HA GLU 43 -21.921 -0.522 -4.207 361 1HB GLU 43 2HB GLU 43 -21.409 -2.849 -4.581 362 2HB GLU 43 1HB GLU 43 -21.774 -3.253 -2.910 363 1HG GLU 43 2HG GLU 43 -24.026 -1.998 -4.216 364 2HG GLU 43 1HG GLU 43 -23.477 -3.427 -5.090 365 H THR 44 H THR 44 -21.555 -1.196 -0.832 366 HA THR 44 HA THR 44 -23.909 0.368 -0.217 367 HB THR 44 HB THR 44 -24.601 -1.531 1.451 368 HG1 THR 44 1HG THR 44 -23.308 -3.005 -0.598 369 1HG2 THR 44 1HG2 THR 44 -25.516 -0.822 -1.096 370 2HG2 THR 44 2HG2 THR 44 -26.386 -1.697 0.164 371 3HG2 THR 44 3HG2 THR 44 -25.474 -2.585 -1.057 372 H LYS 45 H LYS 45 -21.787 -1.978 1.434 373 HA LYS 45 HA LYS 45 -20.089 -0.244 2.713 374 1HB LYS 45 2HB LYS 45 -22.705 0.045 3.766 375 2HB LYS 45 1HB LYS 45 -21.759 -0.797 4.984 376 1HG LYS 45 2HG LYS 45 -20.024 1.140 4.346 377 2HG LYS 45 1HG LYS 45 -21.539 1.969 3.988 378 1HD LYS 45 2HD LYS 45 -21.489 0.482 6.527 379 2HD LYS 45 1HD LYS 45 -20.397 1.866 6.443 380 1HE LYS 45 2HE LYS 45 -23.301 2.033 5.679 381 2HE LYS 45 1HE LYS 45 -22.733 2.316 7.324 382 1HZ LYS 45 1HZ LYS 45 -21.332 4.101 6.491 383 2HZ LYS 45 2HZ LYS 45 -22.952 4.383 6.100 384 3HZ LYS 45 3HZ LYS 45 -21.880 3.830 4.914 385 H HIS 46 H HIS 46 -22.226 -2.914 3.709 386 HA HIS 46 HA HIS 46 -20.307 -4.934 3.609 387 1HB HIS 46 2HB HIS 46 -19.987 -5.243 6.117 388 2HB HIS 46 1HB HIS 46 -19.083 -3.926 5.375 389 HD1 HIS 46 1HD HIS 46 -21.958 -4.595 7.688 390 HD2 HIS 46 2HD HIS 46 -19.768 -1.373 6.246 391 HE1 HIS 46 1HE HIS 46 -22.637 -2.632 9.105 392 HE2 HIS 46 2HE HIS 46 -21.363 -0.676 8.158 393 HA PRO 47 HA PRO 47 -24.771 -6.169 3.903 394 1HB PRO 47 2HB PRO 47 -24.092 -8.588 2.630 395 2HB PRO 47 1HB PRO 47 -24.833 -7.174 1.876 396 1HG PRO 47 2HG PRO 47 -21.983 -8.027 1.917 397 2HG PRO 47 1HG PRO 47 -22.890 -7.186 0.648 398 1HD PRO 47 2HD PRO 47 -21.130 -5.890 2.194 399 2HD PRO 47 1HD PRO 47 -22.639 -5.114 1.669 400 H LYS 48 H LYS 48 -21.757 -7.718 4.764 401 HA LYS 48 HA LYS 48 -22.568 -8.525 7.281 402 1HB LYS 48 2HB LYS 48 -22.664 -11.040 6.883 403 2HB LYS 48 1HB LYS 48 -24.080 -10.110 6.415 404 1HG LYS 48 2HG LYS 48 -22.730 -10.087 4.093 405 2HG LYS 48 1HG LYS 48 -22.168 -11.621 4.761 406 1HD LYS 48 2HD LYS 48 -24.277 -12.554 4.744 407 2HD LYS 48 1HD LYS 48 -25.085 -10.986 4.808 408 1HE LYS 48 2HE LYS 48 -24.229 -10.572 2.479 409 2HE LYS 48 1HE LYS 48 -23.708 -12.256 2.450 410 1HZ LYS 48 1HZ LYS 48 -26.157 -12.701 3.112 411 2HZ LYS 48 2HZ LYS 48 -25.779 -12.371 1.496 412 3HZ LYS 48 3HZ LYS 48 -26.436 -11.158 2.474 413 H LYS 49 H LYS 49 -20.686 -9.880 4.562 414 HA LYS 49 HA LYS 49 -18.405 -10.140 6.401 415 1HB LYS 49 2HB LYS 49 -19.395 -11.746 4.140 416 2HB LYS 49 1HB LYS 49 -17.651 -11.522 4.177 417 1HG LYS 49 2HG LYS 49 -17.637 -12.366 6.505 418 2HG LYS 49 1HG LYS 49 -19.365 -12.698 6.353 419 1HD LYS 49 2HD LYS 49 -17.427 -13.808 4.359 420 2HD LYS 49 1HD LYS 49 -17.662 -14.605 5.914 421 1HE LYS 49 2HE LYS 49 -19.241 -15.703 4.688 422 2HE LYS 49 1HE LYS 49 -20.209 -14.344 5.256 423 1HZ LYS 49 1HZ LYS 49 -20.223 -13.376 3.205 424 2HZ LYS 49 2HZ LYS 49 -20.169 -15.001 2.745 425 3HZ LYS 49 3HZ LYS 49 -18.758 -14.071 2.723 426 H GLY 50 H GLY 50 -19.352 -8.922 3.221 427 1HA GLY 50 2HA GLY 50 -18.408 -6.836 2.441 428 2HA GLY 50 1HA GLY 50 -16.907 -7.271 3.243 429 H VAL 51 H VAL 51 -18.844 -9.415 1.257 430 HA VAL 51 HA VAL 51 -16.653 -10.265 -0.302 431 HB VAL 51 HB VAL 51 -19.566 -10.599 -1.008 432 1HG1 VAL 51 1HG1 VAL 51 -18.433 -12.866 -1.788 433 2HG1 VAL 51 2HG1 VAL 51 -17.014 -11.825 -1.903 434 3HG1 VAL 51 3HG1 VAL 51 -18.469 -11.437 -2.822 435 1HG2 VAL 51 1HG2 VAL 51 -17.967 -11.754 1.172 436 2HG2 VAL 51 2HG2 VAL 51 -18.877 -12.919 0.211 437 3HG2 VAL 51 3HG2 VAL 51 -19.715 -11.588 1.010 438 H GLU 52 H GLU 52 -18.116 -7.351 -0.434 439 HA GLU 52 HA GLU 52 -18.186 -7.082 -3.329 440 1HB GLU 52 2HB GLU 52 -18.598 -4.932 -1.247 441 2HB GLU 52 1HB GLU 52 -19.060 -4.877 -2.943 442 1HG GLU 52 2HG GLU 52 -20.216 -7.104 -1.431 443 2HG GLU 52 1HG GLU 52 -20.723 -5.503 -0.897 444 H LYS 53 H LYS 53 -15.715 -7.479 -1.503 445 HA LYS 53 HA LYS 53 -13.923 -5.902 -3.012 446 1HB LYS 53 2HB LYS 53 -14.979 -4.536 -0.890 447 2HB LYS 53 1HB LYS 53 -13.537 -5.242 -0.177 448 1HG LYS 53 2HG LYS 53 -12.142 -3.937 -1.377 449 2HG LYS 53 1HG LYS 53 -13.182 -3.948 -2.800 450 1HD LYS 53 2HD LYS 53 -14.592 -2.273 -1.894 451 2HD LYS 53 1HD LYS 53 -13.865 -2.430 -0.294 452 1HE LYS 53 2HE LYS 53 -11.787 -1.510 -1.098 453 2HE LYS 53 1HE LYS 53 -12.400 -1.479 -2.751 454 1HZ LYS 53 1HZ LYS 53 -12.663 0.688 -2.016 455 2HZ LYS 53 2HZ LYS 53 -13.171 0.227 -0.470 456 3HZ LYS 53 3HZ LYS 53 -14.207 0.031 -1.792 457 H TYR 54 H TYR 54 -14.432 -7.700 0.000 458 HA TYR 54 HA TYR 54 -12.931 -9.889 -0.572 459 1HB TYR 54 2HB TYR 54 -10.899 -9.148 1.052 460 2HB TYR 54 1HB TYR 54 -10.821 -9.083 -0.700 461 HD1 TYR 54 1HD TYR 54 -12.523 -6.785 1.703 462 HD2 TYR 54 2HD TYR 54 -9.458 -7.280 -1.203 463 HE1 TYR 54 1HE TYR 54 -12.040 -4.378 1.814 464 HE2 TYR 54 2HE TYR 54 -8.964 -4.873 -1.098 465 HH TYR 54 HH TYR 54 -10.086 -2.789 -0.465 466 H GLY 55 H GLY 55 -14.184 -7.638 1.699 467 1HA GLY 55 2HA GLY 55 -14.928 -7.835 3.866 468 2HA GLY 55 1HA GLY 55 -15.462 -9.419 3.320 469 HA PRO 56 HA PRO 56 -12.832 -10.958 6.595 470 1HB PRO 56 2HB PRO 56 -12.678 -13.550 5.643 471 2HB PRO 56 1HB PRO 56 -13.983 -12.931 6.659 472 1HG PRO 56 2HG PRO 56 -13.898 -13.297 3.695 473 2HG PRO 56 1HG PRO 56 -15.231 -13.596 4.825 474 1HD PRO 56 2HD PRO 56 -15.162 -11.404 3.275 475 2HD PRO 56 1HD PRO 56 -15.810 -11.354 4.928 476 H GLU 57 H GLU 57 -12.243 -11.074 3.194 477 HA GLU 57 HA GLU 57 -9.487 -11.926 3.482 478 1HB GLU 57 2HB GLU 57 -11.422 -11.890 1.375 479 2HB GLU 57 1HB GLU 57 -10.000 -11.002 0.851 480 1HG GLU 57 2HG GLU 57 -9.713 -13.254 0.188 481 2HG GLU 57 1HG GLU 57 -8.619 -12.965 1.540 482 H ALA 58 H ALA 58 -11.292 -8.973 3.329 483 HA ALA 58 HA ALA 58 -9.716 -7.114 2.173 484 1HB ALA 58 1HB ALA 58 -11.832 -6.812 3.606 485 2HB ALA 58 2HB ALA 58 -10.654 -5.499 3.567 486 3HB ALA 58 3HB ALA 58 -10.711 -6.592 4.950 487 H SER 59 H SER 59 -9.002 -8.749 5.200 488 HA SER 59 HA SER 59 -6.664 -7.150 5.729 489 1HB SER 59 2HB SER 59 -7.376 -9.811 6.979 490 2HB SER 59 1HB SER 59 -6.335 -8.554 7.644 491 HG SER 59 HG SER 59 -9.106 -8.240 7.129 492 H ALA 60 H ALA 60 -7.384 -10.379 4.512 493 HA ALA 60 HA ALA 60 -4.870 -11.461 4.268 494 1HB ALA 60 1HB ALA 60 -6.426 -13.003 3.704 495 2HB ALA 60 2HB ALA 60 -6.001 -12.484 2.073 496 3HB ALA 60 3HB ALA 60 -7.441 -11.834 2.859 497 H PHE 61 H PHE 61 -6.500 -9.199 2.059 498 HA PHE 61 HA PHE 61 -4.951 -9.203 -0.154 499 1HB PHE 61 2HB PHE 61 -6.644 -7.608 -0.185 500 2HB PHE 61 1HB PHE 61 -6.202 -6.957 1.387 501 HD1 PHE 61 1HD PHE 61 -5.148 -4.920 1.465 502 HD2 PHE 61 2HD PHE 61 -4.816 -7.276 -2.062 503 HE1 PHE 61 1HE PHE 61 -3.919 -3.093 0.367 504 HE2 PHE 61 2HE PHE 61 -3.585 -5.454 -3.168 505 HZ PHE 61 HZ PHE 61 -3.135 -3.360 -1.953 506 H THR 62 H THR 62 -4.188 -7.153 2.658 507 HA THR 62 HA THR 62 -1.435 -6.912 1.755 508 HB THR 62 HB THR 62 -2.507 -5.788 4.329 509 HG1 THR 62 1HG THR 62 -3.358 -4.087 3.242 510 1HG2 THR 62 1HG2 THR 62 -0.520 -4.829 4.398 511 2HG2 THR 62 2HG2 THR 62 -0.952 -3.928 2.944 512 3HG2 THR 62 3HG2 THR 62 -0.104 -5.468 2.807 513 H LYS 63 H LYS 63 -3.184 -8.054 4.624 514 HA LYS 63 HA LYS 63 -1.258 -8.937 6.278 515 1HB LYS 63 2HB LYS 63 -3.654 -9.175 6.712 516 2HB LYS 63 1HB LYS 63 -3.737 -10.492 5.549 517 1HG LYS 63 2HG LYS 63 -2.301 -11.855 6.930 518 2HG LYS 63 1HG LYS 63 -2.083 -10.523 8.065 519 1HD LYS 63 2HD LYS 63 -4.777 -11.700 7.413 520 2HD LYS 63 1HD LYS 63 -3.767 -12.286 8.736 521 1HE LYS 63 2HE LYS 63 -3.897 -10.225 9.878 522 2HE LYS 63 1HE LYS 63 -4.543 -9.394 8.465 523 1HZ LYS 63 1HZ LYS 63 -6.519 -10.920 8.693 524 2HZ LYS 63 2HZ LYS 63 -6.351 -9.740 9.895 525 3HZ LYS 63 3HZ LYS 63 -5.918 -11.344 10.218 526 H LYS 64 H LYS 64 -2.037 -10.368 3.186 527 HA LYS 64 HA LYS 64 -0.426 -12.724 3.677 528 1HB LYS 64 2HB LYS 64 -2.576 -12.508 2.195 529 2HB LYS 64 1HB LYS 64 -1.450 -11.933 0.973 530 1HG LYS 64 2HG LYS 64 -0.555 -13.975 0.640 531 2HG LYS 64 1HG LYS 64 -0.698 -14.434 2.339 532 1HD LYS 64 2HD LYS 64 -2.781 -15.292 2.070 533 2HD LYS 64 1HD LYS 64 -3.226 -14.108 0.838 534 1HE LYS 64 2HE LYS 64 -1.433 -16.503 0.450 535 2HE LYS 64 1HE LYS 64 -3.097 -16.346 -0.113 536 1HZ LYS 64 1HZ LYS 64 -2.055 -15.702 -1.988 537 2HZ LYS 64 2HZ LYS 64 -0.655 -15.189 -1.190 538 3HZ LYS 64 3HZ LYS 64 -2.023 -14.195 -1.220 539 H MET 65 H MET 65 -0.207 -9.653 2.042 540 HA MET 65 HA MET 65 2.413 -10.304 0.932 541 1HB MET 65 2HB MET 65 0.356 -8.826 -0.070 542 2HB MET 65 1HB MET 65 1.371 -7.566 0.618 543 1HG MET 65 2HG MET 65 1.930 -7.887 -1.695 544 2HG MET 65 1HG MET 65 3.273 -8.413 -0.683 545 1HE MET 65 1HE MET 65 0.319 -11.340 -2.686 546 2HE MET 65 2HE MET 65 0.184 -9.586 -2.808 547 3HE MET 65 3HE MET 65 -0.080 -10.385 -1.259 548 H VAL 66 H VAL 66 1.286 -9.286 3.847 549 HA VAL 66 HA VAL 66 3.689 -7.662 4.359 550 HB VAL 66 HB VAL 66 1.727 -6.253 4.481 551 1HG1 VAL 66 1HG1 VAL 66 0.510 -7.456 6.831 552 2HG1 VAL 66 2HG1 VAL 66 0.415 -8.478 5.401 553 3HG1 VAL 66 3HG1 VAL 66 -0.235 -6.841 5.357 554 1HG2 VAL 66 1HG2 VAL 66 2.416 -5.143 6.307 555 2HG2 VAL 66 2HG2 VAL 66 3.652 -6.398 6.380 556 3HG2 VAL 66 3HG2 VAL 66 2.193 -6.538 7.361 557 H GLU 67 H GLU 67 1.374 -9.962 5.762 558 HA GLU 67 HA GLU 67 3.180 -10.425 8.006 559 1HB GLU 67 2HB GLU 67 0.433 -10.321 7.835 560 2HB GLU 67 1HB GLU 67 0.750 -12.048 7.900 561 1HG GLU 67 2HG GLU 67 0.446 -11.377 10.122 562 2HG GLU 67 1HG GLU 67 2.186 -11.575 9.923 563 H ASN 68 H ASN 68 1.417 -12.386 5.615 564 HA ASN 68 HA ASN 68 3.135 -14.662 6.163 565 1HB ASN 68 2HB ASN 68 0.578 -14.206 4.763 566 2HB ASN 68 1HB ASN 68 1.602 -15.457 4.065 567 1HD2 ASN 68 1HD2 ASN 68 -0.946 -15.766 5.362 568 2HD2 ASN 68 2HD2 ASN 68 -0.691 -16.802 6.720 569 H ALA 69 H ALA 69 3.679 -11.988 4.459 570 HA ALA 69 HA ALA 69 4.825 -13.313 2.114 571 1HB ALA 69 1HB ALA 69 3.435 -10.972 2.381 572 2HB ALA 69 2HB ALA 69 4.418 -11.431 0.989 573 3HB ALA 69 3HB ALA 69 5.106 -10.417 2.261 574 H LYS 70 H LYS 70 6.957 -12.237 1.366 575 HA LYS 70 HA LYS 70 8.853 -12.563 3.547 576 1HB LYS 70 2HB LYS 70 8.887 -12.905 0.657 577 2HB LYS 70 1HB LYS 70 10.297 -12.027 1.229 578 1HG LYS 70 2HG LYS 70 9.578 -14.449 2.749 579 2HG LYS 70 1HG LYS 70 10.159 -14.700 1.102 580 1HD LYS 70 2HD LYS 70 12.081 -13.133 1.741 581 2HD LYS 70 1HD LYS 70 11.564 -13.383 3.409 582 1HE LYS 70 2HE LYS 70 12.240 -15.561 3.438 583 2HE LYS 70 1HE LYS 70 11.950 -15.787 1.713 584 1HZ LYS 70 1HZ LYS 70 14.373 -15.559 2.779 585 2HZ LYS 70 2HZ LYS 70 14.077 -13.938 2.406 586 3HZ LYS 70 3HZ LYS 70 14.014 -15.109 1.188 587 H LYS 71 H LYS 71 8.667 -10.267 0.817 588 HA LYS 71 HA LYS 71 8.778 -7.976 2.506 589 1HB LYS 71 2HB LYS 71 10.998 -7.178 1.935 590 2HB LYS 71 1HB LYS 71 11.111 -8.743 2.729 591 1HG LYS 71 2HG LYS 71 10.965 -8.862 -0.198 592 2HG LYS 71 1HG LYS 71 12.403 -8.069 0.447 593 1HD LYS 71 2HD LYS 71 13.216 -9.982 1.357 594 2HD LYS 71 1HD LYS 71 11.610 -10.611 1.731 595 1HE LYS 71 2HE LYS 71 12.915 -11.851 -0.047 596 2HE LYS 71 1HE LYS 71 11.278 -11.358 -0.479 597 1HZ LYS 71 1HZ LYS 71 13.156 -10.948 -2.147 598 2HZ LYS 71 2HZ LYS 71 13.590 -9.653 -1.148 599 3HZ LYS 71 3HZ LYS 71 12.058 -9.692 -1.865 600 H ILE 72 H ILE 72 9.624 -6.017 0.974 601 HA ILE 72 HA ILE 72 8.580 -6.371 -1.734 602 HB ILE 72 HB ILE 72 7.584 -4.156 0.061 603 1HG1 ILE 72 2HG1 ILE 72 5.362 -5.556 -0.426 604 2HG1 ILE 72 1HG1 ILE 72 6.520 -6.880 -0.500 605 1HG2 ILE 72 1HG2 ILE 72 7.685 -4.283 -2.688 606 2HG2 ILE 72 2HG2 ILE 72 6.625 -3.248 -1.738 607 3HG2 ILE 72 3HG2 ILE 72 6.044 -4.807 -2.319 608 1HD1 ILE 72 1HD1 ILE 72 5.617 -6.718 1.715 609 2HD1 ILE 72 2HD1 ILE 72 6.068 -5.015 1.814 610 3HD1 ILE 72 3HD1 ILE 72 7.318 -6.256 1.748 611 H GLU 73 H GLU 73 9.384 -4.910 -3.229 612 HA GLU 73 HA GLU 73 11.526 -3.145 -2.243 613 1HB GLU 73 2HB GLU 73 12.582 -3.435 -4.462 614 2HB GLU 73 1HB GLU 73 12.422 -4.954 -3.590 615 1HG GLU 73 2HG GLU 73 10.332 -5.371 -4.920 616 2HG GLU 73 1HG GLU 73 10.772 -3.974 -5.901 617 H VAL 74 H VAL 74 11.445 -1.023 -2.747 618 HA VAL 74 HA VAL 74 9.118 -0.106 -4.259 619 HB VAL 74 HB VAL 74 9.850 2.179 -3.394 620 1HG1 VAL 74 1HG1 VAL 74 8.730 -0.072 -1.837 621 2HG1 VAL 74 2HG1 VAL 74 8.010 1.478 -2.271 622 3HG1 VAL 74 3HG1 VAL 74 9.163 1.384 -0.940 623 1HG2 VAL 74 1HG2 VAL 74 11.448 2.377 -1.729 624 2HG2 VAL 74 2HG2 VAL 74 12.184 1.207 -2.823 625 3HG2 VAL 74 3HG2 VAL 74 11.405 0.656 -1.341 626 H GLU 75 H GLU 75 9.319 0.398 -6.316 627 HA GLU 75 HA GLU 75 11.965 0.969 -7.414 628 1HB GLU 75 2HB GLU 75 10.055 -0.643 -8.360 629 2HB GLU 75 1HB GLU 75 9.566 0.842 -9.163 630 1HG GLU 75 2HG GLU 75 11.943 1.023 -9.994 631 2HG GLU 75 1HG GLU 75 12.175 -0.624 -9.409 632 H PHE 76 H PHE 76 12.062 3.101 -6.421 633 HA PHE 76 HA PHE 76 11.363 5.143 -8.242 634 1HB PHE 76 2HB PHE 76 9.712 6.375 -7.067 635 2HB PHE 76 1HB PHE 76 9.137 4.713 -7.097 636 HD1 PHE 76 1HD PHE 76 8.575 3.620 -5.119 637 HD2 PHE 76 2HD PHE 76 10.886 7.191 -4.956 638 HE1 PHE 76 1HE PHE 76 8.324 3.669 -2.671 639 HE2 PHE 76 2HE PHE 76 10.641 7.242 -2.509 640 HZ PHE 76 HZ PHE 76 9.359 5.480 -1.363 641 H ASP 77 H ASP 77 12.650 6.892 -7.962 642 HA ASP 77 HA ASP 77 14.808 6.715 -6.161 643 1HB ASP 77 2HB ASP 77 15.227 9.137 -6.906 644 2HB ASP 77 1HB ASP 77 15.258 7.886 -8.144 645 H LYS 78 H LYS 78 12.217 9.186 -6.246 646 HA LYS 78 HA LYS 78 11.559 9.102 -3.560 647 1HB LYS 78 2HB LYS 78 14.124 10.077 -3.769 648 2HB LYS 78 1HB LYS 78 13.169 11.551 -3.710 649 1HG LYS 78 2HG LYS 78 12.048 10.563 -1.657 650 2HG LYS 78 1HG LYS 78 13.340 9.362 -1.667 651 1HD LYS 78 2HD LYS 78 14.012 11.100 -0.186 652 2HD LYS 78 1HD LYS 78 14.977 11.269 -1.654 653 1HE LYS 78 2HE LYS 78 12.823 12.831 -2.233 654 2HE LYS 78 1HE LYS 78 12.968 13.066 -0.492 655 1HZ LYS 78 1HZ LYS 78 14.300 14.708 -1.467 656 2HZ LYS 78 2HZ LYS 78 14.983 13.637 -2.584 657 3HZ LYS 78 3HZ LYS 78 15.397 13.529 -0.947 658 H GLY 79 H GLY 79 11.969 11.034 -6.445 659 1HA GLY 79 2HA GLY 79 10.552 13.300 -6.037 660 2HA GLY 79 1HA GLY 79 10.435 12.379 -7.526 661 H GLN 80 H GLN 80 8.535 13.954 -5.643 662 HA GLN 80 HA GLN 80 6.592 12.100 -4.738 663 1HB GLN 80 2HB GLN 80 7.021 14.757 -4.351 664 2HB GLN 80 1HB GLN 80 5.657 14.803 -5.459 665 1HG GLN 80 2HG GLN 80 4.253 14.311 -3.827 666 2HG GLN 80 1HG GLN 80 5.164 12.855 -3.428 667 1HE2 GLN 80 1HE2 GLN 80 3.950 15.523 -2.116 668 2HE2 GLN 80 2HE2 GLN 80 5.088 15.811 -0.849 669 H ARG 81 H ARG 81 4.695 11.394 -5.654 670 HA ARG 81 HA ARG 81 4.412 11.896 -8.542 671 1HB ARG 81 2HB ARG 81 4.933 9.516 -7.551 672 2HB ARG 81 1HB ARG 81 3.208 9.505 -7.208 673 1HG ARG 81 2HG ARG 81 4.366 10.020 -9.936 674 2HG ARG 81 1HG ARG 81 3.864 8.429 -9.361 675 1HD ARG 81 2HD ARG 81 1.853 8.940 -10.189 676 2HD ARG 81 1HD ARG 81 1.683 9.996 -8.787 677 HE ARG 81 HE ARG 81 1.907 11.813 -10.168 678 1HH1 ARG 81 1HH1 ARG 81 2.898 8.946 -11.893 679 2HH1 ARG 81 2HH1 ARG 81 3.021 9.754 -13.419 680 1HH2 ARG 81 1HH2 ARG 81 2.068 12.879 -12.174 681 2HH2 ARG 81 2HH2 ARG 81 2.551 11.988 -13.579 682 H THR 82 H THR 82 2.737 11.670 -5.466 683 HA THR 82 HA THR 82 0.346 12.808 -6.762 684 HB THR 82 HB THR 82 -0.830 11.747 -4.679 685 HG1 THR 82 1HG THR 82 0.358 10.467 -3.547 686 1HG2 THR 82 1HG2 THR 82 0.107 9.764 -6.714 687 2HG2 THR 82 2HG2 THR 82 -1.038 11.042 -7.122 688 3HG2 THR 82 3HG2 THR 82 -1.445 9.856 -5.881 689 H ASP 83 H ASP 83 -0.753 14.443 -5.674 690 HA ASP 83 HA ASP 83 0.887 15.935 -3.794 691 1HB ASP 83 2HB ASP 83 -0.302 16.937 -5.836 692 2HB ASP 83 1HB ASP 83 -1.782 16.803 -4.890 693 H LYS 84 H LYS 84 -1.600 13.684 -3.622 694 HA LYS 84 HA LYS 84 -3.316 14.558 -1.662 695 1HB LYS 84 2HB LYS 84 -3.322 12.071 -0.943 696 2HB LYS 84 1HB LYS 84 -3.843 12.482 -2.571 697 1HG LYS 84 2HG LYS 84 -2.295 11.168 -3.446 698 2HG LYS 84 1HG LYS 84 -1.021 12.016 -2.567 699 1HD LYS 84 2HD LYS 84 -0.729 9.997 -1.597 700 2HD LYS 84 1HD LYS 84 -2.060 10.537 -0.571 701 1HE LYS 84 2HE LYS 84 -3.371 9.466 -2.727 702 2HE LYS 84 1HE LYS 84 -1.969 8.407 -2.571 703 1HZ LYS 84 1HZ LYS 84 -3.592 7.460 -1.217 704 2HZ LYS 84 2HZ LYS 84 -4.088 8.948 -0.584 705 3HZ LYS 84 3HZ LYS 84 -2.599 8.291 -0.127 706 H TYR 85 H TYR 85 0.025 13.651 -1.355 707 HA TYR 85 HA TYR 85 0.342 14.856 1.152 708 1HB TYR 85 2HB TYR 85 -0.975 12.923 1.951 709 2HB TYR 85 1HB TYR 85 0.226 11.834 1.269 710 HD1 TYR 85 1HD TYR 85 1.671 10.903 2.797 711 HD2 TYR 85 2HD TYR 85 0.213 14.837 3.508 712 HE1 TYR 85 1HE TYR 85 2.942 10.988 4.899 713 HE2 TYR 85 2HE TYR 85 1.483 14.932 5.612 714 HH TYR 85 HH TYR 85 2.393 12.973 7.303 715 H GLY 86 H GLY 86 1.455 12.370 -1.081 716 1HA GLY 86 2HA GLY 86 3.594 12.686 -2.174 717 2HA GLY 86 1HA GLY 86 4.203 13.356 -0.671 718 H ARG 87 H ARG 87 2.478 10.953 0.490 719 HA ARG 87 HA ARG 87 4.544 8.902 0.053 720 1HB ARG 87 2HB ARG 87 3.429 9.973 2.614 721 2HB ARG 87 1HB ARG 87 3.929 8.289 2.538 722 1HG ARG 87 2HG ARG 87 6.103 8.804 2.567 723 2HG ARG 87 1HG ARG 87 5.898 10.158 1.453 724 1HD ARG 87 2HD ARG 87 5.717 11.658 3.118 725 2HD ARG 87 1HD ARG 87 4.745 10.580 4.117 726 HE ARG 87 HE ARG 87 7.508 9.814 3.959 727 1HH1 ARG 87 1HH1 ARG 87 5.195 11.831 5.623 728 2HH1 ARG 87 2HH1 ARG 87 6.145 11.942 7.067 729 1HH2 ARG 87 1HH2 ARG 87 8.756 9.958 5.859 730 2HH2 ARG 87 2HH2 ARG 87 8.166 10.879 7.201 731 H GLY 88 H GLY 88 1.310 9.658 -0.202 732 1HA GLY 88 2HA GLY 88 0.136 7.189 0.613 733 2HA GLY 88 1HA GLY 88 -0.623 8.424 -0.379 734 H LEU 89 H LEU 89 0.030 8.487 -2.683 735 HA LEU 89 HA LEU 89 -0.105 5.857 -3.794 736 1HB LEU 89 2HB LEU 89 -0.622 8.507 -4.661 737 2HB LEU 89 1HB LEU 89 0.543 7.818 -5.776 738 HG LEU 89 HG LEU 89 -1.721 7.478 -6.587 739 1HD1 LEU 89 1HD1 LEU 89 -1.626 4.812 -6.373 740 2HD1 LEU 89 2HD1 LEU 89 0.009 5.205 -5.839 741 3HD1 LEU 89 3HD1 LEU 89 -0.551 5.734 -7.424 742 1HD2 LEU 89 1HD2 LEU 89 -2.982 5.641 -5.105 743 2HD2 LEU 89 2HD2 LEU 89 -3.233 7.374 -4.905 744 3HD2 LEU 89 3HD2 LEU 89 -2.138 6.512 -3.825 745 H ALA 90 H ALA 90 1.618 4.575 -3.845 746 HA ALA 90 HA ALA 90 4.088 5.594 -5.025 747 1HB ALA 90 1HB ALA 90 4.928 5.803 -2.934 748 2HB ALA 90 2HB ALA 90 5.202 4.072 -3.122 749 3HB ALA 90 3HB ALA 90 3.789 4.650 -2.241 750 H TYR 91 H TYR 91 5.177 4.115 -6.242 751 HA TYR 91 HA TYR 91 3.775 1.727 -6.965 752 1HB TYR 91 2HB TYR 91 6.479 2.782 -7.814 753 2HB TYR 91 1HB TYR 91 5.687 1.381 -8.527 754 HD1 TYR 91 1HD TYR 91 3.900 1.639 -10.100 755 HD2 TYR 91 2HD TYR 91 5.537 5.043 -8.142 756 HE1 TYR 91 1HE TYR 91 2.721 3.108 -11.682 757 HE2 TYR 91 2HE TYR 91 4.362 6.521 -9.718 758 HH TYR 91 HH TYR 91 1.953 5.961 -11.319 759 H ILE 92 H ILE 92 3.842 -0.065 -5.791 760 HA ILE 92 HA ILE 92 6.323 -0.718 -4.344 761 HB ILE 92 HB ILE 92 4.839 -2.280 -3.018 762 1HG1 ILE 92 2HG1 ILE 92 2.486 -0.630 -3.727 763 2HG1 ILE 92 1HG1 ILE 92 2.986 -1.808 -4.937 764 1HG2 ILE 92 1HG2 ILE 92 4.182 -0.588 -1.496 765 2HG2 ILE 92 2HG2 ILE 92 4.067 0.617 -2.779 766 3HG2 ILE 92 3HG2 ILE 92 5.644 -0.006 -2.294 767 1HD1 ILE 92 1HD1 ILE 92 1.971 -3.408 -3.805 768 2HD1 ILE 92 2HD1 ILE 92 1.457 -2.223 -2.604 769 3HD1 ILE 92 3HD1 ILE 92 2.983 -3.080 -2.400 770 H TYR 93 H TYR 93 6.978 -2.954 -4.257 771 HA TYR 93 HA TYR 93 5.871 -4.695 -6.328 772 1HB TYR 93 2HB TYR 93 8.783 -3.902 -6.144 773 2HB TYR 93 1HB TYR 93 8.179 -5.229 -7.130 774 HD1 TYR 93 1HD TYR 93 8.147 -1.562 -6.696 775 HD2 TYR 93 2HD TYR 93 7.139 -4.824 -9.236 776 HE1 TYR 93 1HE TYR 93 7.724 0.010 -8.540 777 HE2 TYR 93 2HE TYR 93 6.715 -3.260 -11.086 778 HH TYR 93 HH TYR 93 6.459 0.102 -10.630 779 H ALA 94 H ALA 94 5.072 -5.883 -4.523 780 HA ALA 94 HA ALA 94 6.908 -7.005 -2.609 781 1HB ALA 94 1HB ALA 94 4.552 -6.434 -2.057 782 2HB ALA 94 2HB ALA 94 4.992 -8.094 -1.659 783 3HB ALA 94 3HB ALA 94 4.030 -7.757 -3.099 784 H ASP 95 H ASP 95 8.312 -8.484 -3.319 785 HA ASP 95 HA ASP 95 9.144 -10.424 -4.167 786 1HB ASP 95 2HB ASP 95 6.836 -11.190 -3.040 787 2HB ASP 95 1HB ASP 95 6.455 -11.573 -4.716 788 H GLY 96 H GLY 96 8.836 -8.287 -5.909 789 1HA GLY 96 2HA GLY 96 9.052 -7.864 -8.159 790 2HA GLY 96 1HA GLY 96 9.027 -9.602 -8.419 791 H LYS 97 H LYS 97 6.370 -8.180 -6.731 792 HA LYS 97 HA LYS 97 4.769 -7.735 -9.082 793 1HB LYS 97 2HB LYS 97 3.068 -9.450 -8.488 794 2HB LYS 97 1HB LYS 97 4.601 -10.138 -9.007 795 1HG LYS 97 2HG LYS 97 5.194 -10.724 -6.792 796 2HG LYS 97 1HG LYS 97 3.868 -9.775 -6.117 797 1HD LYS 97 2HD LYS 97 2.561 -11.482 -7.814 798 2HD LYS 97 1HD LYS 97 3.875 -12.490 -7.204 799 1HE LYS 97 2HE LYS 97 2.008 -12.772 -5.747 800 2HE LYS 97 1HE LYS 97 3.215 -11.813 -4.892 801 1HZ LYS 97 1HZ LYS 97 0.953 -10.585 -6.357 802 2HZ LYS 97 2HZ LYS 97 1.970 -9.861 -5.216 803 3HZ LYS 97 3HZ LYS 97 0.846 -11.026 -4.727 804 H MET 98 H MET 98 2.652 -6.891 -8.584 805 HA MET 98 HA MET 98 2.687 -5.268 -6.214 806 1HB MET 98 2HB MET 98 1.364 -5.237 -8.752 807 2HB MET 98 1HB MET 98 0.155 -5.106 -7.484 808 1HG MET 98 2HG MET 98 2.297 -3.381 -6.812 809 2HG MET 98 1HG MET 98 1.895 -3.109 -8.506 810 1HE MET 98 1HE MET 98 -1.876 -2.170 -8.348 811 2HE MET 98 2HE MET 98 -0.983 -3.594 -8.881 812 3HE MET 98 3HE MET 98 -0.422 -1.983 -9.328 813 H VAL 99 H VAL 99 0.672 -5.077 -4.853 814 HA VAL 99 HA VAL 99 0.017 -7.706 -3.832 815 HB VAL 99 HB VAL 99 -0.976 -5.045 -2.809 816 1HG1 VAL 99 1HG1 VAL 99 -1.352 -6.207 -0.742 817 2HG1 VAL 99 2HG1 VAL 99 -0.616 -7.677 -1.384 818 3HG1 VAL 99 3HG1 VAL 99 -2.148 -7.096 -2.040 819 1HG2 VAL 99 1HG2 VAL 99 1.693 -5.982 -2.880 820 2HG2 VAL 99 2HG2 VAL 99 1.134 -6.111 -1.212 821 3HG2 VAL 99 3HG2 VAL 99 1.054 -4.562 -2.051 822 H ASN 100 H ASN 100 -1.593 -5.051 -5.479 823 HA ASN 100 HA ASN 100 -4.248 -5.846 -5.141 824 1HB ASN 100 2HB ASN 100 -2.890 -4.350 -7.385 825 2HB ASN 100 1HB ASN 100 -4.634 -4.589 -7.312 826 1HD2 ASN 100 1HD2 ASN 100 -5.802 -3.633 -5.591 827 2HD2 ASN 100 2HD2 ASN 100 -5.177 -2.256 -4.757 828 H GLU 101 H GLU 101 -1.752 -7.081 -7.220 829 HA GLU 101 HA GLU 101 -3.471 -8.486 -9.010 830 1HB GLU 101 2HB GLU 101 -0.569 -8.290 -8.515 831 2HB GLU 101 1HB GLU 101 -1.110 -9.819 -9.195 832 1HG GLU 101 2HG GLU 101 -2.407 -7.808 -10.660 833 2HG GLU 101 1HG GLU 101 -0.731 -7.290 -10.480 834 H ALA 102 H ALA 102 -2.379 -9.088 -5.819 835 HA ALA 102 HA ALA 102 -2.536 -11.945 -5.918 836 1HB ALA 102 1HB ALA 102 -1.110 -11.134 -4.263 837 2HB ALA 102 2HB ALA 102 -2.536 -11.662 -3.369 838 3HB ALA 102 3HB ALA 102 -2.286 -9.947 -3.698 839 H LEU 103 H LEU 103 -4.435 -9.788 -3.821 840 HA LEU 103 HA LEU 103 -6.685 -11.635 -4.037 841 1HB LEU 103 2HB LEU 103 -5.707 -10.701 -1.846 842 2HB LEU 103 1HB LEU 103 -6.555 -9.223 -2.259 843 HG LEU 103 HG LEU 103 -7.898 -11.906 -1.929 844 1HD1 LEU 103 1HD1 LEU 103 -8.561 -9.942 0.063 845 2HD1 LEU 103 2HD1 LEU 103 -6.826 -10.256 0.060 846 3HD1 LEU 103 3HD1 LEU 103 -7.963 -11.588 0.266 847 1HD2 LEU 103 1HD2 LEU 103 -9.935 -10.452 -1.760 848 2HD2 LEU 103 2HD2 LEU 103 -9.187 -10.507 -3.356 849 3HD2 LEU 103 3HD2 LEU 103 -8.937 -9.107 -2.315 850 H VAL 104 H VAL 104 -6.217 -8.102 -4.108 851 HA VAL 104 HA VAL 104 -8.711 -7.304 -4.886 852 HB VAL 104 HB VAL 104 -6.200 -6.067 -6.007 853 1HG1 VAL 104 1HG1 VAL 104 -8.814 -5.410 -6.434 854 2HG1 VAL 104 2HG1 VAL 104 -7.455 -4.295 -6.561 855 3HG1 VAL 104 3HG1 VAL 104 -8.396 -4.373 -5.072 856 1HG2 VAL 104 1HG2 VAL 104 -7.308 -6.054 -3.235 857 2HG2 VAL 104 2HG2 VAL 104 -6.508 -4.608 -3.854 858 3HG2 VAL 104 3HG2 VAL 104 -5.633 -6.137 -3.776 859 H ARG 105 H ARG 105 -6.338 -8.930 -6.839 860 HA ARG 105 HA ARG 105 -7.488 -8.256 -9.366 861 1HB ARG 105 2HB ARG 105 -5.138 -9.473 -8.505 862 2HB ARG 105 1HB ARG 105 -5.996 -10.748 -9.357 863 1HG ARG 105 2HG ARG 105 -5.690 -8.050 -10.601 864 2HG ARG 105 1HG ARG 105 -4.369 -9.218 -10.655 865 1HD ARG 105 2HD ARG 105 -6.001 -10.865 -11.620 866 2HD ARG 105 1HD ARG 105 -7.158 -9.541 -11.750 867 HE ARG 105 HE ARG 105 -4.998 -8.577 -13.046 868 1HH1 ARG 105 1HH1 ARG 105 -6.775 -11.570 -13.314 869 2HH1 ARG 105 2HH1 ARG 105 -6.435 -11.765 -14.999 870 1HH2 ARG 105 1HH2 ARG 105 -4.552 -8.832 -15.263 871 2HH2 ARG 105 2HH2 ARG 105 -5.172 -10.211 -16.107 872 H GLN 106 H GLN 106 -8.363 -10.430 -6.902 873 HA GLN 106 HA GLN 106 -9.598 -12.417 -8.550 874 1HB GLN 106 2HB GLN 106 -8.758 -12.574 -6.082 875 2HB GLN 106 1HB GLN 106 -10.354 -11.949 -5.690 876 1HG GLN 106 2HG GLN 106 -10.643 -14.231 -5.539 877 2HG GLN 106 1HG GLN 106 -11.226 -13.872 -7.163 878 1HE2 GLN 106 1HE2 GLN 106 -9.935 -16.264 -5.777 879 2HE2 GLN 106 2HE2 GLN 106 -8.697 -16.755 -6.877 880 H GLY 107 H GLY 107 -10.418 -9.297 -8.275 881 1HA GLY 107 2HA GLY 107 -12.394 -8.432 -9.247 882 2HA GLY 107 1HA GLY 107 -13.234 -9.900 -8.782 883 H LEU 108 H LEU 108 -11.422 -8.877 -6.162 884 HA LEU 108 HA LEU 108 -11.908 -7.880 -4.208 885 1HB LEU 108 2HB LEU 108 -13.382 -6.220 -6.187 886 2HB LEU 108 1HB LEU 108 -13.779 -5.996 -4.500 887 HG LEU 108 HG LEU 108 -11.095 -5.584 -5.811 888 1HD1 LEU 108 1HD1 LEU 108 -13.280 -3.837 -4.870 889 2HD1 LEU 108 2HD1 LEU 108 -12.124 -3.610 -6.184 890 3HD1 LEU 108 3HD1 LEU 108 -11.635 -3.306 -4.517 891 1HD2 LEU 108 1HD2 LEU 108 -11.827 -5.547 -2.887 892 2HD2 LEU 108 2HD2 LEU 108 -10.354 -4.839 -3.542 893 3HD2 LEU 108 3HD2 LEU 108 -10.633 -6.573 -3.680 894 H ALA 109 H ALA 109 -12.761 -9.991 -3.687 895 HA ALA 109 HA ALA 109 -15.221 -9.933 -2.376 896 1HB ALA 109 1HB ALA 109 -16.557 -11.447 -3.808 897 2HB ALA 109 2HB ALA 109 -15.335 -11.294 -5.068 898 3HB ALA 109 3HB ALA 109 -16.262 -9.881 -4.563 899 H LYS 110 H LYS 110 -14.348 -11.110 -0.735 900 HA LYS 110 HA LYS 110 -14.022 -13.926 -1.094 901 1HB LYS 110 2HB LYS 110 -11.602 -12.184 -0.758 902 2HB LYS 110 1HB LYS 110 -11.618 -13.808 -0.084 903 1HG LYS 110 2HG LYS 110 -12.485 -14.268 -2.622 904 2HG LYS 110 1HG LYS 110 -11.371 -12.920 -2.863 905 1HD LYS 110 2HD LYS 110 -10.110 -14.703 -1.079 906 2HD LYS 110 1HD LYS 110 -10.795 -15.687 -2.374 907 1HE LYS 110 2HE LYS 110 -9.464 -14.751 -3.977 908 2HE LYS 110 1HE LYS 110 -9.338 -13.210 -3.129 909 1HZ LYS 110 1HZ LYS 110 -7.556 -13.897 -1.967 910 2HZ LYS 110 2HZ LYS 110 -7.369 -14.990 -3.243 911 3HZ LYS 110 3HZ LYS 110 -8.112 -15.486 -1.807 Start of MODEL 10 1 1H ALA 1 1HT ALA 1 17.447 13.099 -27.448 2 2H ALA 1 2HT ALA 1 18.285 13.027 -28.945 3 3H ALA 1 3HT ALA 1 18.560 14.333 -27.866 4 HA ALA 1 HA ALA 1 19.390 11.539 -27.668 5 1HB ALA 1 1HB ALA 1 20.681 13.703 -28.598 6 2HB ALA 1 2HB ALA 1 21.493 12.348 -27.810 7 3HB ALA 1 3HB ALA 1 21.113 13.805 -26.890 8 H THR 2 H THR 2 17.439 11.724 -25.968 9 HA THR 2 HA THR 2 18.758 12.069 -23.370 10 HB THR 2 HB THR 2 16.577 12.949 -22.465 11 HG1 THR 2 1HG THR 2 15.996 13.144 -25.230 12 1HG2 THR 2 1HG2 THR 2 18.345 14.531 -22.852 13 2HG2 THR 2 2HG2 THR 2 16.805 15.233 -23.344 14 3HG2 THR 2 3HG2 THR 2 17.929 14.628 -24.562 15 H SER 3 H SER 3 18.552 10.344 -22.099 16 HA SER 3 HA SER 3 16.681 8.242 -22.910 17 1HB SER 3 2HB SER 3 18.902 7.415 -22.715 18 2HB SER 3 1HB SER 3 19.150 8.231 -21.172 19 HG SER 3 HG SER 3 18.720 5.973 -20.953 20 H THR 4 H THR 4 15.308 7.212 -21.413 21 HA THR 4 HA THR 4 14.021 8.925 -19.591 22 HB THR 4 HB THR 4 12.738 7.181 -20.566 23 HG1 THR 4 1HG THR 4 12.140 7.555 -18.433 24 1HG2 THR 4 1HG2 THR 4 13.194 4.771 -19.966 25 2HG2 THR 4 2HG2 THR 4 14.801 5.300 -19.473 26 3HG2 THR 4 3HG2 THR 4 14.279 5.508 -21.145 27 H LYS 5 H LYS 5 13.988 8.991 -17.352 28 HA LYS 5 HA LYS 5 16.416 7.991 -16.072 29 1HB LYS 5 2HB LYS 5 14.861 10.367 -15.841 30 2HB LYS 5 1HB LYS 5 14.823 9.548 -14.286 31 1HG LYS 5 2HG LYS 5 17.413 9.973 -15.721 32 2HG LYS 5 1HG LYS 5 16.687 11.260 -14.756 33 1HD LYS 5 2HD LYS 5 17.136 8.498 -13.655 34 2HD LYS 5 1HD LYS 5 18.385 9.744 -13.598 35 1HE LYS 5 2HE LYS 5 16.890 11.204 -12.347 36 2HE LYS 5 1HE LYS 5 15.612 9.993 -12.436 37 1HZ LYS 5 1HZ LYS 5 17.570 8.560 -11.356 38 2HZ LYS 5 2HZ LYS 5 16.438 9.419 -10.440 39 3HZ LYS 5 3HZ LYS 5 17.964 10.085 -10.737 40 H LYS 6 H LYS 6 16.212 5.979 -15.313 41 HA LYS 6 HA LYS 6 13.699 5.185 -14.029 42 1HB LYS 6 2HB LYS 6 15.518 3.846 -15.742 43 2HB LYS 6 1HB LYS 6 15.600 3.041 -14.181 44 1HG LYS 6 2HG LYS 6 12.931 3.258 -14.463 45 2HG LYS 6 1HG LYS 6 13.420 3.137 -16.154 46 1HD LYS 6 2HD LYS 6 14.889 1.211 -14.659 47 2HD LYS 6 1HD LYS 6 13.186 1.066 -14.223 48 1HE LYS 6 2HE LYS 6 13.332 -0.336 -16.051 49 2HE LYS 6 1HE LYS 6 12.793 1.170 -16.790 50 1HZ LYS 6 1HZ LYS 6 15.231 1.620 -17.201 51 2HZ LYS 6 2HZ LYS 6 14.529 0.394 -18.131 52 3HZ LYS 6 3HZ LYS 6 15.509 -0.002 -16.810 53 H LEU 7 H LEU 7 13.548 4.848 -11.897 54 HA LEU 7 HA LEU 7 15.748 5.582 -10.208 55 1HB LEU 7 2HB LEU 7 12.878 5.092 -9.912 56 2HB LEU 7 1HB LEU 7 13.821 4.545 -8.539 57 HG LEU 7 HG LEU 7 12.953 6.842 -8.263 58 1HD1 LEU 7 1HD1 LEU 7 15.821 6.141 -8.185 59 2HD1 LEU 7 2HD1 LEU 7 14.739 6.653 -6.889 60 3HD1 LEU 7 3HD1 LEU 7 15.415 7.847 -7.996 61 1HD2 LEU 7 1HD2 LEU 7 14.545 7.277 -10.760 62 2HD2 LEU 7 2HD2 LEU 7 14.291 8.595 -9.616 63 3HD2 LEU 7 3HD2 LEU 7 12.906 7.805 -10.370 64 H HIS 8 H HIS 8 16.797 4.294 -8.670 65 HA HIS 8 HA HIS 8 17.276 1.600 -9.505 66 1HB HIS 8 2HB HIS 8 18.756 1.560 -7.439 67 2HB HIS 8 1HB HIS 8 19.152 2.777 -8.649 68 HD1 HIS 8 1HD HIS 8 19.862 4.839 -7.507 69 HD2 HIS 8 2HD HIS 8 16.740 2.971 -5.500 70 HE1 HIS 8 1HE HIS 8 19.328 6.333 -5.554 71 HE2 HIS 8 2HE HIS 8 17.368 5.233 -4.415 72 H LYS 9 H LYS 9 16.987 -0.304 -8.247 73 HA LYS 9 HA LYS 9 14.575 -0.193 -6.594 74 1HB LYS 9 2HB LYS 9 15.915 -2.334 -8.197 75 2HB LYS 9 1HB LYS 9 14.847 -2.789 -6.877 76 1HG LYS 9 2HG LYS 9 12.993 -2.200 -7.997 77 2HG LYS 9 1HG LYS 9 13.755 -0.784 -8.724 78 1HD LYS 9 2HD LYS 9 14.784 -3.369 -9.671 79 2HD LYS 9 1HD LYS 9 13.095 -3.048 -10.076 80 1HE LYS 9 2HE LYS 9 14.723 -0.711 -10.530 81 2HE LYS 9 1HE LYS 9 15.372 -2.101 -11.397 82 1HZ LYS 9 1HZ LYS 9 13.608 -2.181 -12.767 83 2HZ LYS 9 2HZ LYS 9 13.431 -0.553 -12.344 84 3HZ LYS 9 3HZ LYS 9 12.498 -1.733 -11.571 85 H GLU 10 H GLU 10 14.626 -0.491 -4.469 86 HA GLU 10 HA GLU 10 16.958 -1.816 -3.267 87 1HB GLU 10 2HB GLU 10 16.467 0.925 -3.113 88 2HB GLU 10 1HB GLU 10 15.885 0.295 -1.579 89 1HG GLU 10 2HG GLU 10 17.964 -0.373 -0.903 90 2HG GLU 10 1HG GLU 10 18.557 -0.572 -2.551 91 HA PRO 11 HA PRO 11 14.030 -4.265 -1.063 92 1HB PRO 11 2HB PRO 11 15.322 -4.441 1.382 93 2HB PRO 11 1HB PRO 11 15.656 -5.465 -0.018 94 1HG PRO 11 2HG PRO 11 17.106 -3.038 0.944 95 2HG PRO 11 1HG PRO 11 17.759 -4.539 0.264 96 1HD PRO 11 2HD PRO 11 17.594 -2.299 -1.198 97 2HD PRO 11 1HD PRO 11 17.302 -3.895 -1.919 98 H ALA 12 H ALA 12 12.156 -3.491 -0.375 99 HA ALA 12 HA ALA 12 12.077 -1.770 1.976 100 1HB ALA 12 1HB ALA 12 10.463 -0.234 0.876 101 2HB ALA 12 2HB ALA 12 10.817 -1.025 -0.658 102 3HB ALA 12 3HB ALA 12 12.090 -0.156 0.199 103 H THR 13 H THR 13 10.899 -3.004 3.302 104 HA THR 13 HA THR 13 8.383 -4.123 2.255 105 HB THR 13 HB THR 13 9.717 -5.351 4.629 106 HG1 THR 13 1HG THR 13 10.537 -5.691 1.944 107 1HG2 THR 13 1HG2 THR 13 8.899 -7.374 3.031 108 2HG2 THR 13 2HG2 THR 13 7.717 -6.126 2.639 109 3HG2 THR 13 3HG2 THR 13 7.927 -6.647 4.311 110 H LEU 14 H LEU 14 6.777 -4.552 4.084 111 HA LEU 14 HA LEU 14 6.785 -2.219 5.872 112 1HB LEU 14 2HB LEU 14 4.257 -2.900 6.037 113 2HB LEU 14 1HB LEU 14 4.851 -1.960 4.682 114 HG LEU 14 HG LEU 14 5.064 -4.173 3.428 115 1HD1 LEU 14 1HD1 LEU 14 2.974 -5.498 4.827 116 2HD1 LEU 14 2HD1 LEU 14 4.282 -5.168 5.963 117 3HD1 LEU 14 3HD1 LEU 14 4.606 -6.069 4.479 118 1HD2 LEU 14 1HD2 LEU 14 2.375 -4.233 3.361 119 2HD2 LEU 14 2HD2 LEU 14 3.347 -3.006 2.550 120 3HD2 LEU 14 3HD2 LEU 14 2.631 -2.664 4.124 121 H ILE 15 H ILE 15 6.353 -2.431 8.050 122 HA ILE 15 HA ILE 15 6.996 -5.008 9.177 123 HB ILE 15 HB ILE 15 7.948 -2.940 10.123 124 1HG1 ILE 15 2HG1 ILE 15 6.356 -3.807 12.421 125 2HG1 ILE 15 1HG1 ILE 15 6.991 -5.151 11.479 126 1HG2 ILE 15 1HG2 ILE 15 5.294 -2.308 11.349 127 2HG2 ILE 15 2HG2 ILE 15 5.714 -1.683 9.755 128 3HG2 ILE 15 3HG2 ILE 15 6.710 -1.275 11.151 129 1HD1 ILE 15 1HD1 ILE 15 8.413 -3.122 13.096 130 2HD1 ILE 15 2HD1 ILE 15 9.215 -3.729 11.647 131 3HD1 ILE 15 3HD1 ILE 15 8.717 -4.850 12.914 132 H LYS 16 H LYS 16 4.199 -2.829 9.148 133 HA LYS 16 HA LYS 16 2.497 -5.098 9.848 134 1HB LYS 16 2HB LYS 16 2.985 -3.975 11.977 135 2HB LYS 16 1HB LYS 16 2.414 -2.453 11.307 136 1HG LYS 16 2HG LYS 16 0.210 -3.783 10.897 137 2HG LYS 16 1HG LYS 16 0.863 -4.858 12.136 138 1HD LYS 16 2HD LYS 16 0.712 -1.890 12.557 139 2HD LYS 16 1HD LYS 16 -0.667 -2.939 12.889 140 1HE LYS 16 2HE LYS 16 1.852 -3.893 14.027 141 2HE LYS 16 1HE LYS 16 1.333 -2.331 14.657 142 1HZ LYS 16 1HZ LYS 16 -0.938 -3.554 14.879 143 2HZ LYS 16 2HZ LYS 16 0.257 -3.765 16.056 144 3HZ LYS 16 3HZ LYS 16 0.021 -4.949 14.872 145 H ALA 17 H ALA 17 1.289 -5.199 8.057 146 HA ALA 17 HA ALA 17 0.070 -2.707 7.062 147 1HB ALA 17 1HB ALA 17 0.633 -5.249 5.537 148 2HB ALA 17 2HB ALA 17 1.572 -3.759 5.446 149 3HB ALA 17 3HB ALA 17 -0.097 -3.783 4.880 150 H ILE 18 H ILE 18 -2.056 -2.510 7.333 151 HA ILE 18 HA ILE 18 -3.607 -4.853 8.135 152 HB ILE 18 HB ILE 18 -4.519 -1.978 8.072 153 1HG1 ILE 18 2HG1 ILE 18 -4.056 -2.899 10.728 154 2HG1 ILE 18 1HG1 ILE 18 -2.599 -3.216 9.791 155 1HG2 ILE 18 1HG2 ILE 18 -5.708 -4.534 8.914 156 2HG2 ILE 18 2HG2 ILE 18 -6.480 -3.047 8.359 157 3HG2 ILE 18 3HG2 ILE 18 -5.930 -3.185 10.029 158 1HD1 ILE 18 1HD1 ILE 18 -3.831 -0.546 9.498 159 2HD1 ILE 18 2HD1 ILE 18 -2.133 -1.022 9.519 160 3HD1 ILE 18 3HD1 ILE 18 -3.039 -0.915 11.030 161 H ASP 19 H ASP 19 -3.426 -2.441 5.592 162 HA ASP 19 HA ASP 19 -4.283 -2.392 3.485 163 1HB ASP 19 2HB ASP 19 -4.370 -5.204 4.194 164 2HB ASP 19 1HB ASP 19 -5.702 -4.775 3.125 165 H GLY 20 H GLY 20 -6.670 -4.291 5.347 166 1HA GLY 20 2HA GLY 20 -8.964 -3.292 4.206 167 2HA GLY 20 1HA GLY 20 -8.864 -3.846 5.869 168 H ASP 21 H ASP 21 -6.861 -1.694 6.473 169 HA ASP 21 HA ASP 21 -8.669 0.628 6.412 170 1HB ASP 21 2HB ASP 21 -7.675 -0.831 8.721 171 2HB ASP 21 1HB ASP 21 -7.228 0.872 8.787 172 H THR 22 H THR 22 -5.469 0.195 7.880 173 HA THR 22 HA THR 22 -4.359 2.047 5.883 174 HB THR 22 HB THR 22 -3.840 2.179 8.858 175 HG1 THR 22 1HG THR 22 -5.232 4.019 7.217 176 1HG2 THR 22 1HG2 THR 22 -1.915 2.926 7.588 177 2HG2 THR 22 2HG2 THR 22 -2.717 4.286 8.372 178 3HG2 THR 22 3HG2 THR 22 -2.941 4.007 6.645 179 H VAL 23 H VAL 23 -2.010 1.974 5.711 180 HA VAL 23 HA VAL 23 -0.776 -0.467 6.767 181 HB VAL 23 HB VAL 23 -1.572 -1.057 4.535 182 1HG1 VAL 23 1HG1 VAL 23 -0.128 0.233 2.674 183 2HG1 VAL 23 2HG1 VAL 23 -0.345 1.535 3.843 184 3HG1 VAL 23 3HG1 VAL 23 -1.751 0.721 3.156 185 1HG2 VAL 23 1HG2 VAL 23 1.363 -0.720 4.149 186 2HG2 VAL 23 2HG2 VAL 23 0.342 -2.130 3.867 187 3HG2 VAL 23 3HG2 VAL 23 0.787 -1.680 5.513 188 H LYS 24 H LYS 24 1.440 -0.357 7.066 189 HA LYS 24 HA LYS 24 2.710 2.233 6.475 190 1HB LYS 24 2HB LYS 24 1.994 1.584 8.968 191 2HB LYS 24 1HB LYS 24 3.542 0.753 8.917 192 1HG LYS 24 2HG LYS 24 4.369 2.712 9.600 193 2HG LYS 24 1HG LYS 24 4.217 3.179 7.905 194 1HD LYS 24 2HD LYS 24 3.236 4.887 9.303 195 2HD LYS 24 1HD LYS 24 1.963 4.073 8.391 196 1HE LYS 24 2HE LYS 24 2.119 2.581 10.696 197 2HE LYS 24 1HE LYS 24 2.410 4.222 11.273 198 1HZ LYS 24 1HZ LYS 24 -0.002 3.047 10.162 199 2HZ LYS 24 2HZ LYS 24 0.336 4.627 9.661 200 3HZ LYS 24 3HZ LYS 24 0.175 4.280 11.309 201 H LEU 25 H LEU 25 4.838 2.185 5.840 202 HA LEU 25 HA LEU 25 5.992 -0.494 5.419 203 1HB LEU 25 2HB LEU 25 5.894 1.938 3.702 204 2HB LEU 25 1HB LEU 25 7.305 0.903 3.591 205 HG LEU 25 HG LEU 25 4.675 -0.445 3.399 206 1HD1 LEU 25 1HD1 LEU 25 4.887 1.843 1.977 207 2HD1 LEU 25 2HD1 LEU 25 3.972 0.428 1.453 208 3HD1 LEU 25 3HD1 LEU 25 5.611 0.688 0.856 209 1HD2 LEU 25 1HD2 LEU 25 6.907 -0.801 1.477 210 2HD2 LEU 25 2HD2 LEU 25 5.840 -1.998 2.211 211 3HD2 LEU 25 3HD2 LEU 25 7.171 -1.313 3.143 212 H MET 26 H MET 26 8.263 -0.727 5.628 213 HA MET 26 HA MET 26 9.421 1.164 7.535 214 1HB MET 26 2HB MET 26 9.355 -1.277 8.070 215 2HB MET 26 1HB MET 26 10.441 -1.560 6.715 216 1HG MET 26 2HG MET 26 12.098 -1.339 8.171 217 2HG MET 26 1HG MET 26 11.741 0.387 8.159 218 1HE MET 26 1HE MET 26 10.033 1.482 9.642 219 2HE MET 26 2HE MET 26 9.618 0.958 11.274 220 3HE MET 26 3HE MET 26 8.759 0.290 9.887 221 H TYR 27 H TYR 27 10.191 2.831 6.300 222 HA TYR 27 HA TYR 27 12.104 2.163 4.169 223 1HB TYR 27 2HB TYR 27 10.137 3.623 3.602 224 2HB TYR 27 1HB TYR 27 10.792 4.834 4.699 225 HD1 TYR 27 1HD TYR 27 12.170 6.475 3.834 226 HD2 TYR 27 2HD TYR 27 11.819 2.785 1.748 227 HE1 TYR 27 1HE TYR 27 13.560 7.377 2.018 228 HE2 TYR 27 2HE TYR 27 13.209 3.675 -0.074 229 HH TYR 27 HH TYR 27 13.838 5.882 -1.002 230 H LYS 28 H LYS 28 13.958 1.822 5.351 231 HA LYS 28 HA LYS 28 15.864 2.333 6.483 232 1HB LYS 28 2HB LYS 28 15.776 4.178 4.704 233 2HB LYS 28 1HB LYS 28 15.227 5.235 5.997 234 1HG LYS 28 2HG LYS 28 17.344 4.403 7.239 235 2HG LYS 28 1HG LYS 28 17.884 3.928 5.627 236 1HD LYS 28 2HD LYS 28 17.078 6.413 5.078 237 2HD LYS 28 1HD LYS 28 17.486 6.628 6.781 238 1HE LYS 28 2HE LYS 28 19.443 5.175 5.100 239 2HE LYS 28 1HE LYS 28 19.272 6.906 4.812 240 1HZ LYS 28 1HZ LYS 28 19.460 6.962 7.418 241 2HZ LYS 28 2HZ LYS 28 20.838 6.925 6.438 242 3HZ LYS 28 3HZ LYS 28 20.284 5.505 7.172 243 H GLY 29 H GLY 29 13.623 1.926 8.076 244 1HA GLY 29 2HA GLY 29 13.172 2.059 10.339 245 2HA GLY 29 1HA GLY 29 14.470 3.234 10.489 246 H GLN 30 H GLN 30 11.965 3.769 8.155 247 HA GLN 30 HA GLN 30 10.724 5.745 9.947 248 1HB GLN 30 2HB GLN 30 12.307 6.544 7.982 249 2HB GLN 30 1HB GLN 30 10.866 6.272 7.013 250 1HG GLN 30 2HG GLN 30 9.902 8.135 7.739 251 2HG GLN 30 1HG GLN 30 10.292 7.776 9.421 252 1HE2 GLN 30 1HE2 GLN 30 11.325 9.419 10.283 253 2HE2 GLN 30 2HE2 GLN 30 12.585 10.336 9.538 254 HA PRO 31 HA PRO 31 7.052 3.480 8.807 255 1HB PRO 31 2HB PRO 31 5.236 5.128 9.970 256 2HB PRO 31 1HB PRO 31 6.237 4.001 10.891 257 1HG PRO 31 2HG PRO 31 6.611 6.937 10.444 258 2HG PRO 31 1HG PRO 31 6.804 5.998 11.937 259 1HD PRO 31 2HD PRO 31 8.908 6.760 10.414 260 2HD PRO 31 1HD PRO 31 8.900 5.247 11.340 261 H MET 32 H MET 32 7.211 3.877 6.538 262 HA MET 32 HA MET 32 6.243 6.345 5.423 263 1HB MET 32 2HB MET 32 7.992 4.915 4.340 264 2HB MET 32 1HB MET 32 6.745 3.717 4.017 265 1HG MET 32 2HG MET 32 5.898 4.870 2.295 266 2HG MET 32 1HG MET 32 6.115 6.426 3.093 267 1HE MET 32 1HE MET 32 8.800 6.688 3.897 268 2HE MET 32 2HE MET 32 8.564 7.958 2.696 269 3HE MET 32 3HE MET 32 9.986 6.918 2.612 270 H THR 33 H THR 33 4.154 6.840 5.428 271 HA THR 33 HA THR 33 2.107 4.870 5.733 272 HB THR 33 HB THR 33 0.550 6.764 5.541 273 HG1 THR 33 1HG THR 33 2.871 8.287 4.974 274 1HG2 THR 33 1HG2 THR 33 0.979 7.624 7.567 275 2HG2 THR 33 2HG2 THR 33 2.650 8.024 7.163 276 3HG2 THR 33 3HG2 THR 33 2.220 6.371 7.604 277 H PHE 34 H PHE 34 0.801 3.954 4.252 278 HA PHE 34 HA PHE 34 1.066 4.834 1.458 279 1HB PHE 34 2HB PHE 34 2.371 2.819 1.666 280 2HB PHE 34 1HB PHE 34 1.063 2.000 2.511 281 HD1 PHE 34 1HD PHE 34 0.492 4.122 -0.433 282 HD2 PHE 34 2HD PHE 34 0.967 0.146 1.007 283 HE1 PHE 34 1HE PHE 34 -0.347 3.251 -2.575 284 HE2 PHE 34 2HE PHE 34 0.129 -0.732 -1.133 285 HZ PHE 34 HZ PHE 34 -0.529 0.820 -2.927 286 H ARG 35 H ARG 35 -0.841 5.686 0.940 287 HA ARG 35 HA ARG 35 -3.072 5.905 0.562 288 1HB ARG 35 2HB ARG 35 -2.713 3.481 -0.206 289 2HB ARG 35 1HB ARG 35 -3.419 3.017 1.335 290 1HG ARG 35 2HG ARG 35 -5.230 2.961 -0.093 291 2HG ARG 35 1HG ARG 35 -5.372 4.559 0.643 292 1HD ARG 35 2HD ARG 35 -4.876 5.640 -1.287 293 2HD ARG 35 1HD ARG 35 -3.760 4.385 -1.827 294 HE ARG 35 HE ARG 35 -6.191 3.198 -2.016 295 1HH1 ARG 35 1HH1 ARG 35 -4.876 6.193 -3.233 296 2HH1 ARG 35 2HH1 ARG 35 -5.882 6.209 -4.642 297 1HH2 ARG 35 1HH2 ARG 35 -7.514 3.216 -3.871 298 2HH2 ARG 35 2HH2 ARG 35 -7.380 4.518 -5.004 299 H LEU 36 H LEU 36 -4.909 6.468 1.693 300 HA LEU 36 HA LEU 36 -4.650 6.353 4.591 301 1HB LEU 36 2HB LEU 36 -6.365 7.940 2.705 302 2HB LEU 36 1HB LEU 36 -6.720 7.888 4.420 303 HG LEU 36 HG LEU 36 -4.378 8.736 4.828 304 1HD1 LEU 36 1HD1 LEU 36 -3.692 10.072 2.603 305 2HD1 LEU 36 2HD1 LEU 36 -4.393 8.624 1.883 306 3HD1 LEU 36 3HD1 LEU 36 -3.053 8.482 3.020 307 1HD2 LEU 36 1HD2 LEU 36 -6.526 10.112 4.752 308 2HD2 LEU 36 2HD2 LEU 36 -5.995 10.634 3.154 309 3HD2 LEU 36 3HD2 LEU 36 -5.002 10.982 4.570 310 H LEU 37 H LEU 37 -6.823 6.157 5.804 311 HA LEU 37 HA LEU 37 -7.939 3.587 5.092 312 1HB LEU 37 2HB LEU 37 -9.125 3.774 7.249 313 2HB LEU 37 1HB LEU 37 -7.389 3.967 7.401 314 HG LEU 37 HG LEU 37 -8.481 6.561 7.066 315 1HD1 LEU 37 1HD1 LEU 37 -9.868 6.534 9.225 316 2HD1 LEU 37 2HD1 LEU 37 -10.040 4.804 8.927 317 3HD1 LEU 37 3HD1 LEU 37 -10.630 5.968 7.739 318 1HD2 LEU 37 1HD2 LEU 37 -7.780 6.501 9.644 319 2HD2 LEU 37 2HD2 LEU 37 -6.604 6.562 8.332 320 3HD2 LEU 37 3HD2 LEU 37 -6.986 5.022 9.102 321 H LEU 38 H LEU 38 -9.329 3.747 3.405 322 HA LEU 38 HA LEU 38 -11.714 5.412 3.828 323 1HB LEU 38 2HB LEU 38 -10.319 6.538 2.185 324 2HB LEU 38 1HB LEU 38 -10.205 5.068 1.237 325 HG LEU 38 HG LEU 38 -12.635 5.180 0.802 326 1HD1 LEU 38 1HD1 LEU 38 -13.740 6.322 2.410 327 2HD1 LEU 38 2HD1 LEU 38 -13.481 7.666 1.297 328 3HD1 LEU 38 3HD1 LEU 38 -12.410 7.448 2.680 329 1HD2 LEU 38 1HD2 LEU 38 -11.500 6.071 -0.974 330 2HD2 LEU 38 2HD2 LEU 38 -10.763 7.347 -0.006 331 3HD2 LEU 38 3HD2 LEU 38 -12.456 7.468 -0.484 332 H VAL 39 H VAL 39 -13.246 3.944 4.236 333 HA VAL 39 HA VAL 39 -13.653 1.810 2.261 334 HB VAL 39 HB VAL 39 -13.985 1.349 5.223 335 1HG1 VAL 39 1HG1 VAL 39 -13.790 -1.085 4.231 336 2HG1 VAL 39 2HG1 VAL 39 -14.353 -0.284 2.763 337 3HG1 VAL 39 3HG1 VAL 39 -15.327 -0.219 4.233 338 1HG2 VAL 39 1HG2 VAL 39 -11.712 1.420 5.190 339 2HG2 VAL 39 2HG2 VAL 39 -11.613 1.049 3.470 340 3HG2 VAL 39 3HG2 VAL 39 -11.931 -0.238 4.633 341 H ASP 40 H ASP 40 -15.844 0.944 2.249 342 HA ASP 40 HA ASP 40 -17.785 3.047 2.814 343 1HB ASP 40 2HB ASP 40 -17.459 1.470 0.628 344 2HB ASP 40 1HB ASP 40 -18.691 0.561 1.498 345 H THR 41 H THR 41 -19.181 2.963 4.448 346 HA THR 41 HA THR 41 -19.634 0.369 5.773 347 HB THR 41 HB THR 41 -18.293 1.549 7.303 348 HG1 THR 41 1HG THR 41 -19.709 1.997 8.992 349 1HG2 THR 41 1HG2 THR 41 -19.957 3.999 6.778 350 2HG2 THR 41 2HG2 THR 41 -18.279 3.744 6.303 351 3HG2 THR 41 3HG2 THR 41 -18.705 3.859 8.010 352 HA PRO 42 HA PRO 42 -23.726 1.962 4.369 353 1HB PRO 42 2HB PRO 42 -24.817 -0.533 4.105 354 2HB PRO 42 1HB PRO 42 -23.922 0.290 2.822 355 1HG PRO 42 2HG PRO 42 -22.996 -1.820 4.726 356 2HG PRO 42 1HG PRO 42 -22.646 -1.636 2.998 357 1HD PRO 42 2HD PRO 42 -20.880 -0.924 4.917 358 2HD PRO 42 1HD PRO 42 -20.999 -0.066 3.369 359 H GLU 43 H GLU 43 -23.414 -0.952 6.412 360 HA GLU 43 HA GLU 43 -25.401 0.234 8.234 361 1HB GLU 43 2HB GLU 43 -25.690 -2.098 6.946 362 2HB GLU 43 1HB GLU 43 -24.812 -2.675 8.355 363 1HG GLU 43 2HG GLU 43 -26.801 -2.825 9.332 364 2HG GLU 43 1HG GLU 43 -26.728 -1.068 9.468 365 H THR 44 H THR 44 -22.208 -1.066 7.934 366 HA THR 44 HA THR 44 -21.478 -0.098 10.522 367 HB THR 44 HB THR 44 -20.830 -2.974 10.350 368 HG1 THR 44 1HG THR 44 -22.794 -3.711 10.581 369 1HG2 THR 44 1HG2 THR 44 -22.103 -2.238 12.771 370 2HG2 THR 44 2HG2 THR 44 -20.941 -0.982 12.348 371 3HG2 THR 44 3HG2 THR 44 -20.414 -2.658 12.491 372 H LYS 45 H LYS 45 -20.476 -2.489 8.074 373 HA LYS 45 HA LYS 45 -18.200 -0.919 7.325 374 1HB LYS 45 2HB LYS 45 -17.745 -2.438 9.527 375 2HB LYS 45 1HB LYS 45 -17.316 -3.579 8.261 376 1HG LYS 45 2HG LYS 45 -16.036 -1.308 7.442 377 2HG LYS 45 1HG LYS 45 -15.915 -1.199 9.200 378 1HD LYS 45 2HD LYS 45 -15.191 -3.679 7.651 379 2HD LYS 45 1HD LYS 45 -14.027 -2.410 8.036 380 1HE LYS 45 2HE LYS 45 -15.691 -3.741 10.153 381 2HE LYS 45 1HE LYS 45 -14.156 -4.418 9.613 382 1HZ LYS 45 1HZ LYS 45 -13.349 -3.125 11.244 383 2HZ LYS 45 2HZ LYS 45 -14.676 -2.077 11.244 384 3HZ LYS 45 3HZ LYS 45 -13.455 -1.893 10.089 385 H HIS 46 H HIS 46 -19.559 -4.204 7.328 386 HA HIS 46 HA HIS 46 -19.254 -4.249 4.408 387 1HB HIS 46 2HB HIS 46 -17.847 -5.897 6.267 388 2HB HIS 46 1HB HIS 46 -18.975 -6.913 5.376 389 HD1 HIS 46 1HD HIS 46 -16.358 -4.266 4.565 390 HD2 HIS 46 2HD HIS 46 -17.956 -7.780 3.030 391 HE1 HIS 46 1HE HIS 46 -15.026 -4.760 2.491 392 HE2 HIS 46 2HE HIS 46 -15.963 -6.931 1.619 393 HA PRO 47 HA PRO 47 -23.456 -5.646 4.687 394 1HB PRO 47 2HB PRO 47 -23.940 -6.080 2.103 395 2HB PRO 47 1HB PRO 47 -23.606 -4.450 2.703 396 1HG PRO 47 2HG PRO 47 -21.810 -6.339 1.244 397 2HG PRO 47 1HG PRO 47 -21.954 -4.580 1.089 398 1HD PRO 47 2HD PRO 47 -20.010 -5.928 2.569 399 2HD PRO 47 1HD PRO 47 -20.438 -4.216 2.744 400 H LYS 48 H LYS 48 -21.188 -7.692 4.963 401 HA LYS 48 HA LYS 48 -20.961 -9.948 5.087 402 1HB LYS 48 2HB LYS 48 -23.841 -9.441 5.301 403 2HB LYS 48 1HB LYS 48 -23.453 -11.062 4.743 404 1HG LYS 48 2HG LYS 48 -21.809 -11.073 6.758 405 2HG LYS 48 1HG LYS 48 -22.829 -9.758 7.351 406 1HD LYS 48 2HD LYS 48 -24.710 -11.557 6.610 407 2HD LYS 48 1HD LYS 48 -23.401 -12.637 7.093 408 1HE LYS 48 2HE LYS 48 -24.222 -10.354 8.847 409 2HE LYS 48 1HE LYS 48 -25.126 -11.869 8.866 410 1HZ LYS 48 1HZ LYS 48 -23.043 -13.027 9.383 411 2HZ LYS 48 2HZ LYS 48 -23.449 -11.891 10.569 412 3HZ LYS 48 3HZ LYS 48 -22.232 -11.542 9.447 413 H LYS 49 H LYS 49 -20.875 -8.578 2.469 414 HA LYS 49 HA LYS 49 -21.716 -10.774 0.703 415 1HB LYS 49 2HB LYS 49 -22.529 -8.404 0.273 416 2HB LYS 49 1HB LYS 49 -20.869 -8.010 -0.157 417 1HG LYS 49 2HG LYS 49 -21.023 -8.998 -2.159 418 2HG LYS 49 1HG LYS 49 -21.934 -10.369 -1.525 419 1HD LYS 49 2HD LYS 49 -23.321 -7.750 -1.647 420 2HD LYS 49 1HD LYS 49 -23.009 -8.575 -3.176 421 1HE LYS 49 2HE LYS 49 -24.049 -10.630 -2.124 422 2HE LYS 49 1HE LYS 49 -24.578 -9.577 -0.811 423 1HZ LYS 49 1HZ LYS 49 -25.210 -8.674 -3.499 424 2HZ LYS 49 2HZ LYS 49 -26.146 -8.624 -2.091 425 3HZ LYS 49 3HZ LYS 49 -26.032 -10.059 -2.979 426 H GLY 50 H GLY 50 -18.972 -8.735 1.594 427 1HA GLY 50 2HA GLY 50 -16.711 -9.087 1.357 428 2HA GLY 50 1HA GLY 50 -17.090 -10.768 1.011 429 H VAL 51 H VAL 51 -18.064 -7.863 -0.758 430 HA VAL 51 HA VAL 51 -16.614 -8.908 -3.099 431 HB VAL 51 HB VAL 51 -19.073 -9.006 -3.341 432 1HG1 VAL 51 1HG1 VAL 51 -19.383 -6.885 -1.922 433 2HG1 VAL 51 2HG1 VAL 51 -20.457 -7.132 -3.300 434 3HG1 VAL 51 3HG1 VAL 51 -19.103 -6.009 -3.428 435 1HG2 VAL 51 1HG2 VAL 51 -17.243 -8.241 -5.180 436 2HG2 VAL 51 2HG2 VAL 51 -18.377 -6.894 -5.267 437 3HG2 VAL 51 3HG2 VAL 51 -18.942 -8.543 -5.540 438 H GLU 52 H GLU 52 -15.965 -6.832 -0.890 439 HA GLU 52 HA GLU 52 -15.263 -4.633 -2.735 440 1HB GLU 52 2HB GLU 52 -15.592 -4.473 0.267 441 2HB GLU 52 1HB GLU 52 -15.250 -3.134 -0.819 442 1HG GLU 52 2HG GLU 52 -17.392 -3.043 -1.612 443 2HG GLU 52 1HG GLU 52 -17.705 -4.746 -1.276 444 H LYS 53 H LYS 53 -13.981 -7.257 -1.729 445 HA LYS 53 HA LYS 53 -11.467 -7.248 -2.182 446 1HB LYS 53 2HB LYS 53 -10.119 -6.390 -0.328 447 2HB LYS 53 1HB LYS 53 -11.071 -5.099 -1.032 448 1HG LYS 53 2HG LYS 53 -12.687 -5.307 0.809 449 2HG LYS 53 1HG LYS 53 -11.692 -6.578 1.519 450 1HD LYS 53 2HD LYS 53 -11.207 -4.503 2.633 451 2HD LYS 53 1HD LYS 53 -9.813 -4.962 1.652 452 1HE LYS 53 2HE LYS 53 -10.413 -3.384 -0.050 453 2HE LYS 53 1HE LYS 53 -11.941 -3.027 0.755 454 1HZ LYS 53 1HZ LYS 53 -10.507 -1.278 1.307 455 2HZ LYS 53 2HZ LYS 53 -9.207 -2.309 1.631 456 3HZ LYS 53 3HZ LYS 53 -10.528 -2.259 2.686 457 H TYR 54 H TYR 54 -13.458 -9.024 -1.659 458 HA TYR 54 HA TYR 54 -14.024 -10.954 -0.611 459 1HB TYR 54 2HB TYR 54 -11.537 -11.281 -1.395 460 2HB TYR 54 1HB TYR 54 -11.196 -11.246 0.328 461 HD1 TYR 54 1HD TYR 54 -10.413 -13.603 -1.026 462 HD2 TYR 54 2HD TYR 54 -14.286 -12.595 0.426 463 HE1 TYR 54 1HE TYR 54 -10.971 -15.991 -0.868 464 HE2 TYR 54 2HE TYR 54 -14.851 -14.982 0.585 465 HH TYR 54 HH TYR 54 -12.562 -17.429 0.424 466 H GLY 55 H GLY 55 -14.014 -8.412 0.909 467 1HA GLY 55 2HA GLY 55 -14.430 -7.680 3.027 468 2HA GLY 55 1HA GLY 55 -14.846 -9.343 3.389 469 HA PRO 56 HA PRO 56 -11.208 -9.060 5.978 470 1HB PRO 56 2HB PRO 56 -11.471 -11.366 7.287 471 2HB PRO 56 1HB PRO 56 -12.621 -10.044 7.532 472 1HG PRO 56 2HG PRO 56 -12.909 -12.532 5.899 473 2HG PRO 56 1HG PRO 56 -14.103 -11.723 6.929 474 1HD PRO 56 2HD PRO 56 -13.934 -11.470 4.166 475 2HD PRO 56 1HD PRO 56 -14.761 -10.333 5.248 476 H GLU 57 H GLU 57 -11.533 -10.970 3.277 477 HA GLU 57 HA GLU 57 -9.256 -12.687 3.755 478 1HB GLU 57 2HB GLU 57 -11.472 -12.706 1.999 479 2HB GLU 57 1HB GLU 57 -10.025 -12.656 1.002 480 1HG GLU 57 2HG GLU 57 -9.990 -14.572 3.239 481 2HG GLU 57 1HG GLU 57 -11.122 -14.917 1.932 482 H ALA 58 H ALA 58 -9.971 -10.282 1.174 483 HA ALA 58 HA ALA 58 -7.493 -10.104 0.047 484 1HB ALA 58 1HB ALA 58 -9.249 -7.721 0.575 485 2HB ALA 58 2HB ALA 58 -9.524 -8.896 -0.711 486 3HB ALA 58 3HB ALA 58 -8.063 -7.907 -0.716 487 H SER 59 H SER 59 -8.609 -8.230 2.865 488 HA SER 59 HA SER 59 -6.396 -6.669 3.329 489 1HB SER 59 2HB SER 59 -8.290 -6.329 4.719 490 2HB SER 59 1HB SER 59 -8.290 -8.007 5.261 491 HG SER 59 HG SER 59 -6.506 -7.610 6.494 492 H ALA 60 H ALA 60 -6.792 -10.078 3.823 493 HA ALA 60 HA ALA 60 -4.275 -10.348 5.253 494 1HB ALA 60 1HB ALA 60 -6.585 -11.708 5.504 495 2HB ALA 60 2HB ALA 60 -5.011 -12.366 5.948 496 3HB ALA 60 3HB ALA 60 -5.724 -12.765 4.386 497 H PHE 61 H PHE 61 -5.733 -11.111 2.126 498 HA PHE 61 HA PHE 61 -3.770 -12.711 1.011 499 1HB PHE 61 2HB PHE 61 -6.068 -11.491 0.090 500 2HB PHE 61 1HB PHE 61 -4.810 -10.715 -0.866 501 HD1 PHE 61 1HD PHE 61 -6.087 -14.051 0.155 502 HD2 PHE 61 2HD PHE 61 -3.931 -11.784 -2.730 503 HE1 PHE 61 1HE PHE 61 -6.013 -16.014 -1.325 504 HE2 PHE 61 2HE PHE 61 -3.852 -13.744 -4.217 505 HZ PHE 61 HZ PHE 61 -4.894 -15.862 -3.514 506 H THR 62 H THR 62 -4.044 -9.188 0.434 507 HA THR 62 HA THR 62 -1.448 -8.912 -0.603 508 HB THR 62 HB THR 62 -2.575 -6.598 0.860 509 HG1 THR 62 1HG THR 62 -4.281 -6.365 -0.583 510 1HG2 THR 62 1HG2 THR 62 -1.437 -7.099 -1.852 511 2HG2 THR 62 2HG2 THR 62 -0.908 -5.971 -0.605 512 3HG2 THR 62 3HG2 THR 62 -2.377 -5.644 -1.523 513 H LYS 63 H LYS 63 -2.604 -9.296 2.604 514 HA LYS 63 HA LYS 63 -0.549 -8.012 4.038 515 1HB LYS 63 2HB LYS 63 -2.879 -9.218 4.717 516 2HB LYS 63 1HB LYS 63 -1.722 -10.428 5.251 517 1HG LYS 63 2HG LYS 63 -0.675 -8.042 6.184 518 2HG LYS 63 1HG LYS 63 -2.414 -7.874 6.425 519 1HD LYS 63 2HD LYS 63 -1.537 -10.507 7.201 520 2HD LYS 63 1HD LYS 63 -0.593 -9.271 8.035 521 1HE LYS 63 2HE LYS 63 -2.376 -8.504 9.207 522 2HE LYS 63 1HE LYS 63 -3.516 -8.845 7.906 523 1HZ LYS 63 1HZ LYS 63 -2.357 -10.786 9.829 524 2HZ LYS 63 2HZ LYS 63 -3.262 -11.239 8.473 525 3HZ LYS 63 3HZ LYS 63 -3.978 -10.315 9.697 526 H LYS 64 H LYS 64 -0.838 -11.182 2.591 527 HA LYS 64 HA LYS 64 1.680 -12.074 3.746 528 1HB LYS 64 2HB LYS 64 -0.538 -13.380 2.221 529 2HB LYS 64 1HB LYS 64 1.055 -14.123 2.201 530 1HG LYS 64 2HG LYS 64 0.851 -14.892 4.286 531 2HG LYS 64 1HG LYS 64 0.160 -13.378 4.875 532 1HD LYS 64 2HD LYS 64 -1.928 -14.164 4.736 533 2HD LYS 64 1HD LYS 64 -1.657 -14.821 3.120 534 1HE LYS 64 2HE LYS 64 -2.213 -16.606 4.661 535 2HE LYS 64 1HE LYS 64 -0.543 -16.771 4.120 536 1HZ LYS 64 1HZ LYS 64 0.173 -15.735 6.199 537 2HZ LYS 64 2HZ LYS 64 -0.710 -17.149 6.484 538 3HZ LYS 64 3HZ LYS 64 -1.435 -15.641 6.718 539 H MET 65 H MET 65 0.407 -10.662 0.893 540 HA MET 65 HA MET 65 2.452 -11.518 -0.911 541 1HB MET 65 2HB MET 65 0.190 -10.811 -1.642 542 2HB MET 65 1HB MET 65 0.560 -9.172 -1.125 543 1HG MET 65 2HG MET 65 2.641 -10.006 -2.846 544 2HG MET 65 1HG MET 65 1.113 -10.435 -3.610 545 1HE MET 65 1HE MET 65 3.722 -8.232 -3.197 546 2HE MET 65 2HE MET 65 3.065 -6.967 -2.161 547 3HE MET 65 3HE MET 65 3.223 -6.692 -3.895 548 H VAL 66 H VAL 66 2.524 -9.441 1.689 549 HA VAL 66 HA VAL 66 4.762 -7.921 0.526 550 HB VAL 66 HB VAL 66 4.223 -6.114 2.149 551 1HG1 VAL 66 1HG1 VAL 66 2.670 -6.873 -0.195 552 2HG1 VAL 66 2HG1 VAL 66 3.377 -5.317 0.240 553 3HG1 VAL 66 3HG1 VAL 66 1.803 -5.783 0.885 554 1HG2 VAL 66 1HG2 VAL 66 1.866 -6.139 3.061 555 2HG2 VAL 66 2HG2 VAL 66 3.003 -7.247 3.830 556 3HG2 VAL 66 3HG2 VAL 66 1.828 -7.858 2.668 557 H GLU 67 H GLU 67 3.425 -9.377 3.461 558 HA GLU 67 HA GLU 67 5.777 -8.937 5.020 559 1HB GLU 67 2HB GLU 67 3.419 -9.228 5.899 560 2HB GLU 67 1HB GLU 67 3.600 -10.947 5.578 561 1HG GLU 67 2HG GLU 67 5.385 -11.125 7.154 562 2HG GLU 67 1HG GLU 67 5.442 -9.374 7.360 563 H ASN 68 H ASN 68 4.290 -12.033 4.048 564 HA ASN 68 HA ASN 68 6.903 -13.306 4.264 565 1HB ASN 68 2HB ASN 68 4.526 -14.175 5.104 566 2HB ASN 68 1HB ASN 68 4.490 -14.860 3.482 567 1HD2 ASN 68 1HD2 ASN 68 4.512 -16.931 4.473 568 2HD2 ASN 68 2HD2 ASN 68 5.989 -17.612 5.053 569 H ALA 69 H ALA 69 5.506 -11.644 1.874 570 HA ALA 69 HA ALA 69 6.148 -13.552 -0.253 571 1HB ALA 69 1HB ALA 69 4.105 -11.712 0.026 572 2HB ALA 69 2HB ALA 69 4.537 -12.588 -1.442 573 3HB ALA 69 3HB ALA 69 5.189 -10.974 -1.154 574 H LYS 70 H LYS 70 8.380 -13.532 -0.250 575 HA LYS 70 HA LYS 70 10.466 -12.845 -0.818 576 1HB LYS 70 2HB LYS 70 8.835 -10.829 -2.356 577 2HB LYS 70 1HB LYS 70 10.588 -10.916 -2.466 578 1HG LYS 70 2HG LYS 70 9.092 -13.429 -2.906 579 2HG LYS 70 1HG LYS 70 8.967 -12.185 -4.152 580 1HD LYS 70 2HD LYS 70 11.059 -12.540 -4.862 581 2HD LYS 70 1HD LYS 70 11.699 -12.588 -3.220 582 1HE LYS 70 2HE LYS 70 10.080 -14.910 -4.056 583 2HE LYS 70 1HE LYS 70 11.635 -14.719 -4.864 584 1HZ LYS 70 1HZ LYS 70 12.782 -15.067 -2.941 585 2HZ LYS 70 2HZ LYS 70 11.425 -16.026 -2.622 586 3HZ LYS 70 3HZ LYS 70 11.547 -14.481 -1.945 587 H LYS 71 H LYS 71 9.117 -9.573 -0.842 588 HA LYS 71 HA LYS 71 9.572 -8.701 1.700 589 1HB LYS 71 2HB LYS 71 12.081 -9.286 0.371 590 2HB LYS 71 1HB LYS 71 11.992 -7.592 0.829 591 1HG LYS 71 2HG LYS 71 11.713 -8.125 3.112 592 2HG LYS 71 1HG LYS 71 11.409 -9.826 2.752 593 1HD LYS 71 2HD LYS 71 13.660 -10.215 2.184 594 2HD LYS 71 1HD LYS 71 14.011 -8.490 2.061 595 1HE LYS 71 2HE LYS 71 13.176 -8.655 4.629 596 2HE LYS 71 1HE LYS 71 13.912 -10.244 4.422 597 1HZ LYS 71 1HZ LYS 71 15.831 -8.826 3.394 598 2HZ LYS 71 2HZ LYS 71 15.707 -9.017 5.069 599 3HZ LYS 71 3HZ LYS 71 15.161 -7.592 4.337 600 H ILE 72 H ILE 72 9.915 -8.037 -1.706 601 HA ILE 72 HA ILE 72 9.050 -6.325 -2.959 602 HB ILE 72 HB ILE 72 8.376 -4.801 -0.459 603 1HG1 ILE 72 2HG1 ILE 72 6.219 -6.339 -1.739 604 2HG1 ILE 72 1HG1 ILE 72 7.417 -7.314 -0.894 605 1HG2 ILE 72 1HG2 ILE 72 7.341 -4.742 -3.273 606 2HG2 ILE 72 2HG2 ILE 72 8.211 -3.470 -2.415 607 3HG2 ILE 72 3HG2 ILE 72 6.571 -3.901 -1.931 608 1HD1 ILE 72 1HD1 ILE 72 6.611 -5.044 0.687 609 2HD1 ILE 72 2HD1 ILE 72 6.579 -6.762 1.077 610 3HD1 ILE 72 3HD1 ILE 72 5.231 -6.030 0.211 611 H GLU 73 H GLU 73 9.620 -4.122 -3.563 612 HA GLU 73 HA GLU 73 11.940 -3.007 -2.178 613 1HB GLU 73 2HB GLU 73 13.244 -2.839 -4.208 614 2HB GLU 73 1HB GLU 73 12.808 -4.520 -3.937 615 1HG GLU 73 2HG GLU 73 10.832 -4.016 -5.523 616 2HG GLU 73 1HG GLU 73 11.791 -2.615 -6.001 617 H VAL 74 H VAL 74 12.102 -0.806 -2.303 618 HA VAL 74 HA VAL 74 9.829 0.556 -3.537 619 HB VAL 74 HB VAL 74 10.298 1.021 -1.163 620 1HG1 VAL 74 1HG1 VAL 74 12.904 0.914 -1.765 621 2HG1 VAL 74 2HG1 VAL 74 12.277 1.746 -0.343 622 3HG1 VAL 74 3HG1 VAL 74 12.671 2.663 -1.797 623 1HG2 VAL 74 1HG2 VAL 74 10.239 3.084 -3.263 624 2HG2 VAL 74 2HG2 VAL 74 10.704 3.645 -1.657 625 3HG2 VAL 74 3HG2 VAL 74 9.160 2.824 -1.892 626 H GLU 75 H GLU 75 10.136 1.185 -5.565 627 HA GLU 75 HA GLU 75 12.690 2.492 -6.238 628 1HB GLU 75 2HB GLU 75 11.957 1.631 -8.661 629 2HB GLU 75 1HB GLU 75 12.958 0.674 -7.580 630 1HG GLU 75 2HG GLU 75 11.320 -0.840 -7.175 631 2HG GLU 75 1HG GLU 75 10.026 0.343 -7.354 632 H PHE 76 H PHE 76 9.841 2.119 -8.293 633 HA PHE 76 HA PHE 76 8.473 3.633 -9.290 634 1HB PHE 76 2HB PHE 76 8.025 4.016 -6.750 635 2HB PHE 76 1HB PHE 76 8.902 5.522 -6.999 636 HD1 PHE 76 1HD PHE 76 7.327 7.208 -6.879 637 HD2 PHE 76 2HD PHE 76 6.494 3.748 -9.213 638 HE1 PHE 76 1HE PHE 76 5.269 8.269 -7.710 639 HE2 PHE 76 2HE PHE 76 4.434 4.803 -10.049 640 HZ PHE 76 HZ PHE 76 3.820 7.066 -9.297 641 H ASP 77 H ASP 77 9.081 4.715 -11.033 642 HA ASP 77 HA ASP 77 11.488 6.331 -10.993 643 1HB ASP 77 2HB ASP 77 11.055 6.542 -13.452 644 2HB ASP 77 1HB ASP 77 11.207 4.879 -12.892 645 H LYS 78 H LYS 78 9.975 7.641 -9.355 646 HA LYS 78 HA LYS 78 9.487 10.135 -10.642 647 1HB LYS 78 2HB LYS 78 7.376 8.685 -11.057 648 2HB LYS 78 1HB LYS 78 7.037 8.965 -9.354 649 1HG LYS 78 2HG LYS 78 5.864 10.677 -10.287 650 2HG LYS 78 1HG LYS 78 7.417 11.477 -10.029 651 1HD LYS 78 2HD LYS 78 7.789 10.388 -12.488 652 2HD LYS 78 1HD LYS 78 6.060 10.734 -12.529 653 1HE LYS 78 2HE LYS 78 6.378 13.013 -12.281 654 2HE LYS 78 1HE LYS 78 7.974 12.812 -11.559 655 1HZ LYS 78 1HZ LYS 78 7.558 13.530 -14.096 656 2HZ LYS 78 2HZ LYS 78 7.722 11.857 -14.281 657 3HZ LYS 78 3HZ LYS 78 8.961 12.751 -13.558 658 H GLY 79 H GLY 79 8.836 8.152 -7.772 659 1HA GLY 79 2HA GLY 79 9.592 8.575 -5.600 660 2HA GLY 79 1HA GLY 79 10.078 10.185 -6.109 661 H GLN 80 H GLN 80 8.484 9.186 -3.777 662 HA GLN 80 HA GLN 80 5.964 10.626 -4.268 663 1HB GLN 80 2HB GLN 80 5.350 9.524 -2.012 664 2HB GLN 80 1HB GLN 80 5.401 8.512 -3.448 665 1HG GLN 80 2HG GLN 80 7.914 8.701 -1.927 666 2HG GLN 80 1HG GLN 80 6.578 7.886 -1.114 667 1HE2 GLN 80 1HE2 GLN 80 7.495 5.868 -1.202 668 2HE2 GLN 80 2HE2 GLN 80 7.692 4.986 -2.673 669 H ARG 81 H ARG 81 6.112 12.715 -3.718 670 HA ARG 81 HA ARG 81 7.611 13.393 -1.274 671 1HB ARG 81 2HB ARG 81 8.532 14.332 -3.375 672 2HB ARG 81 1HB ARG 81 7.014 15.182 -3.633 673 1HG ARG 81 2HG ARG 81 7.357 16.531 -1.692 674 2HG ARG 81 1HG ARG 81 8.763 15.576 -1.217 675 1HD ARG 81 2HD ARG 81 10.044 16.983 -2.362 676 2HD ARG 81 1HD ARG 81 9.261 16.431 -3.842 677 HE ARG 81 HE ARG 81 8.198 18.440 -3.952 678 1HH1 ARG 81 1HH1 ARG 81 9.191 17.917 -0.648 679 2HH1 ARG 81 2HH1 ARG 81 8.673 19.478 -0.113 680 1HH2 ARG 81 1HH2 ARG 81 7.514 20.496 -3.249 681 2HH2 ARG 81 2HH2 ARG 81 7.720 20.943 -1.588 682 H THR 82 H THR 82 4.855 14.590 -3.216 683 HA THR 82 HA THR 82 3.398 15.072 -0.731 684 HB THR 82 HB THR 82 2.658 17.272 -2.139 685 HG1 THR 82 1HG THR 82 5.446 17.003 -2.565 686 1HG2 THR 82 1HG2 THR 82 3.214 17.509 0.130 687 2HG2 THR 82 2HG2 THR 82 4.338 18.542 -0.753 688 3HG2 THR 82 3HG2 THR 82 4.874 16.977 -0.140 689 H ASP 83 H ASP 83 1.146 16.153 -1.522 690 HA ASP 83 HA ASP 83 -0.659 16.082 -3.031 691 1HB ASP 83 2HB ASP 83 0.838 14.944 -4.754 692 2HB ASP 83 1HB ASP 83 0.329 13.417 -4.042 693 H LYS 84 H LYS 84 0.135 12.694 -2.261 694 HA LYS 84 HA LYS 84 -2.459 12.447 -0.962 695 1HB LYS 84 2HB LYS 84 -0.635 10.117 -1.074 696 2HB LYS 84 1HB LYS 84 -2.361 10.215 -1.394 697 1HG LYS 84 2HG LYS 84 -1.825 11.325 -3.561 698 2HG LYS 84 1HG LYS 84 -0.118 11.001 -3.242 699 1HD LYS 84 2HD LYS 84 -0.848 9.235 -4.624 700 2HD LYS 84 1HD LYS 84 -0.788 8.559 -2.995 701 1HE LYS 84 2HE LYS 84 -2.836 7.799 -3.685 702 2HE LYS 84 1HE LYS 84 -3.298 9.323 -2.930 703 1HZ LYS 84 1HZ LYS 84 -2.779 10.078 -5.458 704 2HZ LYS 84 2HZ LYS 84 -4.318 9.693 -4.871 705 3HZ LYS 84 3HZ LYS 84 -3.417 8.529 -5.703 706 H TYR 85 H TYR 85 -2.174 13.540 0.977 707 HA TYR 85 HA TYR 85 -1.719 13.731 3.194 708 1HB TYR 85 2HB TYR 85 -2.299 11.335 3.257 709 2HB TYR 85 1HB TYR 85 -0.620 10.927 2.921 710 HD1 TYR 85 1HD TYR 85 0.549 10.171 4.751 711 HD2 TYR 85 2HD TYR 85 -2.435 13.149 5.329 712 HE1 TYR 85 1HE TYR 85 1.035 10.182 7.161 713 HE2 TYR 85 2HE TYR 85 -1.956 13.169 7.740 714 HH TYR 85 HH TYR 85 0.769 11.874 9.086 715 H GLY 86 H GLY 86 0.490 13.987 0.939 716 1HA GLY 86 2HA GLY 86 2.658 14.731 0.872 717 2HA GLY 86 1HA GLY 86 2.420 15.221 2.541 718 H ARG 87 H ARG 87 2.142 11.911 1.468 719 HA ARG 87 HA ARG 87 4.639 10.867 1.696 720 1HB ARG 87 2HB ARG 87 4.876 11.880 3.906 721 2HB ARG 87 1HB ARG 87 3.405 11.091 4.451 722 1HG ARG 87 2HG ARG 87 4.554 9.306 5.068 723 2HG ARG 87 1HG ARG 87 5.199 9.117 3.436 724 1HD ARG 87 2HD ARG 87 7.192 9.535 4.357 725 2HD ARG 87 1HD ARG 87 6.665 11.216 4.420 726 HE ARG 87 HE ARG 87 5.890 9.634 6.703 727 1HH1 ARG 87 1HH1 ARG 87 8.354 11.682 5.316 728 2HH1 ARG 87 2HH1 ARG 87 9.029 12.118 6.850 729 1HH2 ARG 87 1HH2 ARG 87 6.778 10.207 8.719 730 2HH2 ARG 87 2HH2 ARG 87 8.135 11.282 8.781 731 H GLY 88 H GLY 88 1.254 10.572 2.368 732 1HA GLY 88 2HA GLY 88 1.062 7.817 2.844 733 2HA GLY 88 1HA GLY 88 -0.213 8.827 2.184 734 H LEU 89 H LEU 89 1.980 9.417 -0.014 735 HA LEU 89 HA LEU 89 0.973 7.385 -1.803 736 1HB LEU 89 2HB LEU 89 2.439 8.659 -3.475 737 2HB LEU 89 1HB LEU 89 1.035 9.474 -2.820 738 HG LEU 89 HG LEU 89 3.615 9.905 -1.417 739 1HD1 LEU 89 1HD1 LEU 89 4.002 10.010 -3.955 740 2HD1 LEU 89 2HD1 LEU 89 4.510 11.387 -2.976 741 3HD1 LEU 89 3HD1 LEU 89 3.011 11.469 -3.901 742 1HD2 LEU 89 1HD2 LEU 89 1.013 11.086 -1.550 743 2HD2 LEU 89 2HD2 LEU 89 2.229 12.287 -1.980 744 3HD2 LEU 89 3HD2 LEU 89 2.340 11.434 -0.443 745 H ALA 90 H ALA 90 1.896 5.447 -1.781 746 HA ALA 90 HA ALA 90 4.796 5.271 -2.073 747 1HB ALA 90 1HB ALA 90 4.944 4.806 0.134 748 2HB ALA 90 2HB ALA 90 4.469 3.195 -0.404 749 3HB ALA 90 3HB ALA 90 3.259 4.298 0.252 750 H TYR 91 H TYR 91 5.416 3.710 -3.469 751 HA TYR 91 HA TYR 91 3.314 1.900 -4.459 752 1HB TYR 91 2HB TYR 91 5.430 3.465 -5.817 753 2HB TYR 91 1HB TYR 91 5.144 1.844 -6.444 754 HD1 TYR 91 1HD TYR 91 2.583 1.263 -6.827 755 HD2 TYR 91 2HD TYR 91 4.182 5.203 -6.687 756 HE1 TYR 91 1HE TYR 91 0.643 2.089 -8.092 757 HE2 TYR 91 2HE TYR 91 2.246 6.041 -7.951 758 HH TYR 91 HH TYR 91 -0.134 5.337 -8.353 759 H ILE 92 H ILE 92 3.553 -0.162 -3.962 760 HA ILE 92 HA ILE 92 6.142 -1.152 -3.055 761 HB ILE 92 HB ILE 92 4.820 -3.251 -2.538 762 1HG1 ILE 92 2HG1 ILE 92 2.314 -1.676 -2.615 763 2HG1 ILE 92 1HG1 ILE 92 2.930 -2.215 -4.173 764 1HG2 ILE 92 1HG2 ILE 92 5.223 -2.064 -0.638 765 2HG2 ILE 92 2HG2 ILE 92 3.464 -1.932 -0.683 766 3HG2 ILE 92 3HG2 ILE 92 4.465 -0.598 -1.259 767 1HD1 ILE 92 1HD1 ILE 92 1.504 -3.919 -3.546 768 2HD1 ILE 92 2HD1 ILE 92 1.985 -3.838 -1.852 769 3HD1 ILE 92 3HD1 ILE 92 3.081 -4.531 -3.048 770 H TYR 93 H TYR 93 7.373 -2.615 -4.143 771 HA TYR 93 HA TYR 93 6.279 -3.681 -6.661 772 1HB TYR 93 2HB TYR 93 8.954 -2.390 -6.173 773 2HB TYR 93 1HB TYR 93 8.664 -3.446 -7.552 774 HD1 TYR 93 1HD TYR 93 8.044 -0.168 -6.091 775 HD2 TYR 93 2HD TYR 93 7.097 -2.766 -9.325 776 HE1 TYR 93 1HE TYR 93 7.123 1.736 -7.344 777 HE2 TYR 93 2HE TYR 93 6.175 -0.867 -10.587 778 HH TYR 93 HH TYR 93 5.285 1.334 -10.212 779 H ALA 94 H ALA 94 5.839 -5.583 -5.346 780 HA ALA 94 HA ALA 94 8.042 -7.114 -4.304 781 1HB ALA 94 1HB ALA 94 6.458 -8.655 -3.570 782 2HB ALA 94 2HB ALA 94 5.294 -8.198 -4.811 783 3HB ALA 94 3HB ALA 94 5.616 -7.112 -3.460 784 H ASP 95 H ASP 95 9.001 -8.914 -5.204 785 HA ASP 95 HA ASP 95 9.915 -10.097 -6.930 786 1HB ASP 95 2HB ASP 95 8.390 -11.491 -8.180 787 2HB ASP 95 1HB ASP 95 7.797 -11.361 -6.528 788 H GLY 96 H GLY 96 9.625 -7.279 -7.236 789 1HA GLY 96 2HA GLY 96 10.471 -5.894 -8.925 790 2HA GLY 96 1HA GLY 96 9.968 -7.078 -10.124 791 H LYS 97 H LYS 97 7.300 -7.426 -9.519 792 HA LYS 97 HA LYS 97 5.989 -4.906 -9.178 793 1HB LYS 97 2HB LYS 97 6.913 -5.142 -11.665 794 2HB LYS 97 1HB LYS 97 5.427 -6.060 -11.862 795 1HG LYS 97 2HG LYS 97 4.089 -4.199 -11.293 796 2HG LYS 97 1HG LYS 97 5.482 -3.287 -10.710 797 1HD LYS 97 2HD LYS 97 6.339 -3.611 -13.162 798 2HD LYS 97 1HD LYS 97 4.630 -3.871 -13.511 799 1HE LYS 97 2HE LYS 97 4.544 -1.636 -11.953 800 2HE LYS 97 1HE LYS 97 6.065 -1.409 -12.815 801 1HZ LYS 97 1HZ LYS 97 4.478 -2.147 -14.813 802 2HZ LYS 97 2HZ LYS 97 4.705 -0.534 -14.360 803 3HZ LYS 97 3HZ LYS 97 3.341 -1.377 -13.823 804 H MET 98 H MET 98 4.325 -5.554 -7.905 805 HA MET 98 HA MET 98 2.520 -7.561 -8.993 806 1HB MET 98 2HB MET 98 4.086 -8.846 -7.579 807 2HB MET 98 1HB MET 98 3.664 -7.829 -6.208 808 1HG MET 98 2HG MET 98 1.612 -8.789 -5.945 809 2HG MET 98 1HG MET 98 1.482 -9.243 -7.643 810 1HE MET 98 1HE MET 98 1.851 -12.338 -8.053 811 2HE MET 98 2HE MET 98 3.600 -12.144 -8.177 812 3HE MET 98 3HE MET 98 2.529 -10.872 -8.762 813 H VAL 99 H VAL 99 1.226 -5.610 -9.245 814 HA VAL 99 HA VAL 99 0.203 -4.497 -6.734 815 HB VAL 99 HB VAL 99 -0.407 -3.539 -9.528 816 1HG1 VAL 99 1HG1 VAL 99 -1.722 -2.965 -7.246 817 2HG1 VAL 99 2HG1 VAL 99 -1.564 -1.842 -8.597 818 3HG1 VAL 99 3HG1 VAL 99 -0.475 -1.718 -7.215 819 1HG2 VAL 99 1HG2 VAL 99 1.694 -2.513 -7.623 820 2HG2 VAL 99 2HG2 VAL 99 1.290 -1.831 -9.198 821 3HG2 VAL 99 3HG2 VAL 99 2.008 -3.438 -9.091 822 H ASN 100 H ASN 100 -1.146 -5.523 -9.855 823 HA ASN 100 HA ASN 100 -3.712 -6.020 -8.601 824 1HB ASN 100 2HB ASN 100 -4.368 -6.603 -11.013 825 2HB ASN 100 1HB ASN 100 -3.954 -4.929 -10.658 826 1HD2 ASN 100 1HD2 ASN 100 -3.620 -7.227 -12.888 827 2HD2 ASN 100 2HD2 ASN 100 -2.107 -6.773 -13.591 828 H GLU 101 H GLU 101 -1.520 -7.902 -10.690 829 HA GLU 101 HA GLU 101 -2.717 -10.300 -10.731 830 1HB GLU 101 2HB GLU 101 -0.398 -11.333 -10.703 831 2HB GLU 101 1HB GLU 101 -0.688 -10.083 -11.906 832 1HG GLU 101 2HG GLU 101 0.334 -8.471 -10.207 833 2HG GLU 101 1HG GLU 101 0.907 -9.916 -9.377 834 H ALA 102 H ALA 102 -1.247 -8.917 -7.893 835 HA ALA 102 HA ALA 102 -1.085 -11.327 -6.413 836 1HB ALA 102 1HB ALA 102 -1.418 -9.387 -4.510 837 2HB ALA 102 2HB ALA 102 -0.777 -8.470 -5.874 838 3HB ALA 102 3HB ALA 102 0.120 -9.850 -5.240 839 H LEU 103 H LEU 103 -3.192 -8.692 -5.378 840 HA LEU 103 HA LEU 103 -5.370 -10.654 -5.067 841 1HB LEU 103 2HB LEU 103 -4.559 -9.895 -2.913 842 2HB LEU 103 1HB LEU 103 -4.750 -8.221 -3.395 843 HG LEU 103 HG LEU 103 -6.529 -9.437 -1.859 844 1HD1 LEU 103 1HD1 LEU 103 -8.292 -7.931 -3.068 845 2HD1 LEU 103 2HD1 LEU 103 -6.884 -7.374 -3.971 846 3HD1 LEU 103 3HD1 LEU 103 -6.924 -7.215 -2.216 847 1HD2 LEU 103 1HD2 LEU 103 -7.901 -9.857 -4.469 848 2HD2 LEU 103 2HD2 LEU 103 -8.231 -10.573 -2.893 849 3HD2 LEU 103 3HD2 LEU 103 -6.847 -11.122 -3.838 850 H VAL 104 H VAL 104 -4.850 -7.174 -5.360 851 HA VAL 104 HA VAL 104 -7.347 -6.336 -6.053 852 HB VAL 104 HB VAL 104 -4.833 -5.206 -7.267 853 1HG1 VAL 104 1HG1 VAL 104 -6.205 -3.683 -8.118 854 2HG1 VAL 104 2HG1 VAL 104 -6.643 -3.205 -6.477 855 3HG1 VAL 104 3HG1 VAL 104 -7.590 -4.430 -7.321 856 1HG2 VAL 104 1HG2 VAL 104 -5.491 -5.519 -4.515 857 2HG2 VAL 104 2HG2 VAL 104 -5.615 -3.807 -4.920 858 3HG2 VAL 104 3HG2 VAL 104 -4.113 -4.679 -5.229 859 H ARG 105 H ARG 105 -5.349 -8.336 -8.000 860 HA ARG 105 HA ARG 105 -5.989 -7.627 -10.582 861 1HB ARG 105 2HB ARG 105 -5.938 -10.162 -11.031 862 2HB ARG 105 1HB ARG 105 -4.489 -9.416 -10.377 863 1HG ARG 105 2HG ARG 105 -4.633 -10.531 -8.425 864 2HG ARG 105 1HG ARG 105 -6.397 -10.465 -8.394 865 1HD ARG 105 2HD ARG 105 -4.781 -12.267 -10.193 866 2HD ARG 105 1HD ARG 105 -5.478 -12.761 -8.654 867 HE ARG 105 HE ARG 105 -7.624 -12.625 -9.597 868 1HH1 ARG 105 1HH1 ARG 105 -5.130 -11.861 -11.929 869 2HH1 ARG 105 2HH1 ARG 105 -6.174 -12.076 -13.292 870 1HH2 ARG 105 1HH2 ARG 105 -8.985 -12.902 -11.393 871 2HH2 ARG 105 2HH2 ARG 105 -8.358 -12.664 -12.990 872 H GLN 106 H GLN 106 -8.003 -9.056 -8.138 873 HA GLN 106 HA GLN 106 -10.161 -9.507 -10.073 874 1HB GLN 106 2HB GLN 106 -9.450 -10.615 -7.449 875 2HB GLN 106 1HB GLN 106 -11.164 -10.266 -7.632 876 1HG GLN 106 2HG GLN 106 -9.509 -11.989 -9.463 877 2HG GLN 106 1HG GLN 106 -10.649 -12.561 -8.244 878 1HE2 GLN 106 1HE2 GLN 106 -12.793 -10.999 -8.562 879 2HE2 GLN 106 2HE2 GLN 106 -13.465 -11.179 -10.144 880 H GLY 107 H GLY 107 -9.200 -6.829 -9.073 881 1HA GLY 107 2HA GLY 107 -10.106 -4.820 -8.438 882 2HA GLY 107 1HA GLY 107 -11.627 -5.486 -9.011 883 H LEU 108 H LEU 108 -9.674 -6.663 -6.310 884 HA LEU 108 HA LEU 108 -10.172 -6.989 -4.116 885 1HB LEU 108 2HB LEU 108 -11.434 -4.325 -4.670 886 2HB LEU 108 1HB LEU 108 -11.595 -5.071 -3.091 887 HG LEU 108 HG LEU 108 -8.949 -4.464 -4.409 888 1HD1 LEU 108 1HD1 LEU 108 -9.575 -2.336 -3.974 889 2HD1 LEU 108 2HD1 LEU 108 -9.050 -2.768 -2.345 890 3HD1 LEU 108 3HD1 LEU 108 -10.764 -2.816 -2.762 891 1HD2 LEU 108 1HD2 LEU 108 -7.942 -5.377 -2.620 892 2HD2 LEU 108 2HD2 LEU 108 -9.468 -6.239 -2.419 893 3HD2 LEU 108 3HD2 LEU 108 -9.157 -4.768 -1.496 894 H ALA 109 H ALA 109 -11.379 -8.872 -4.447 895 HA ALA 109 HA ALA 109 -14.051 -8.769 -3.490 896 1HB ALA 109 1HB ALA 109 -15.346 -9.035 -5.323 897 2HB ALA 109 2HB ALA 109 -14.095 -9.897 -6.220 898 3HB ALA 109 3HB ALA 109 -14.027 -8.139 -6.078 899 H LYS 110 H LYS 110 -11.230 -10.429 -4.201 900 HA LYS 110 HA LYS 110 -11.918 -12.698 -2.742 901 1HB LYS 110 2HB LYS 110 -11.943 -14.408 -4.542 902 2HB LYS 110 1HB LYS 110 -13.337 -13.337 -4.585 903 1HG LYS 110 2HG LYS 110 -12.544 -12.198 -6.473 904 2HG LYS 110 1HG LYS 110 -10.917 -12.856 -6.290 905 1HD LYS 110 2HD LYS 110 -11.638 -14.252 -7.927 906 2HD LYS 110 1HD LYS 110 -12.274 -15.147 -6.546 907 1HE LYS 110 2HE LYS 110 -14.442 -14.499 -6.953 908 2HE LYS 110 1HE LYS 110 -13.956 -13.022 -7.784 909 1HZ LYS 110 1HZ LYS 110 -13.047 -14.627 -9.548 910 2HZ LYS 110 2HZ LYS 110 -14.718 -14.371 -9.481 911 3HZ LYS 110 3HZ LYS 110 -14.053 -15.779 -8.823 Start of MODEL 11 1 1H ALA 1 1HT ALA 1 24.868 11.030 -27.020 2 2H ALA 1 2HT ALA 1 25.765 9.781 -26.257 3 3H ALA 1 3HT ALA 1 26.406 11.371 -26.344 4 HA ALA 1 HA ALA 1 25.425 10.604 -24.182 5 1HB ALA 1 1HB ALA 1 24.095 13.110 -24.998 6 2HB ALA 1 2HB ALA 1 25.840 13.028 -25.241 7 3HB ALA 1 3HB ALA 1 25.162 12.780 -23.632 8 H THR 2 H THR 2 23.865 9.180 -23.718 9 HA THR 2 HA THR 2 21.177 9.647 -24.825 10 HB THR 2 HB THR 2 20.796 7.216 -24.190 11 HG1 THR 2 1HG THR 2 22.528 5.989 -23.699 12 1HG2 THR 2 1HG2 THR 2 23.034 7.420 -26.160 13 2HG2 THR 2 2HG2 THR 2 21.435 8.069 -26.521 14 3HG2 THR 2 3HG2 THR 2 21.630 6.352 -26.170 15 H SER 3 H SER 3 19.543 10.102 -23.484 16 HA SER 3 HA SER 3 20.068 10.619 -20.730 17 1HB SER 3 2HB SER 3 17.463 10.934 -20.753 18 2HB SER 3 1HB SER 3 18.490 12.083 -21.609 19 HG SER 3 HG SER 3 16.826 11.447 -22.964 20 H THR 4 H THR 4 20.135 9.152 -19.176 21 HA THR 4 HA THR 4 18.646 6.647 -19.510 22 HB THR 4 HB THR 4 20.814 7.282 -17.503 23 HG1 THR 4 1HG THR 4 21.489 7.350 -19.747 24 1HG2 THR 4 1HG2 THR 4 20.923 4.611 -17.997 25 2HG2 THR 4 2HG2 THR 4 19.187 4.919 -18.024 26 3HG2 THR 4 3HG2 THR 4 20.139 5.360 -16.606 27 H LYS 5 H LYS 5 17.301 5.840 -17.888 28 HA LYS 5 HA LYS 5 16.026 7.879 -16.280 29 1HB LYS 5 2HB LYS 5 15.331 4.947 -16.340 30 2HB LYS 5 1HB LYS 5 14.292 6.297 -15.908 31 1HG LYS 5 2HG LYS 5 14.952 6.960 -18.447 32 2HG LYS 5 1HG LYS 5 14.966 5.196 -18.542 33 1HD LYS 5 2HD LYS 5 12.683 6.679 -17.275 34 2HD LYS 5 1HD LYS 5 12.756 6.421 -19.019 35 1HE LYS 5 2HE LYS 5 11.532 4.594 -18.328 36 2HE LYS 5 1HE LYS 5 13.168 3.937 -18.357 37 1HZ LYS 5 1HZ LYS 5 11.904 3.362 -16.335 38 2HZ LYS 5 2HZ LYS 5 11.841 5.001 -15.926 39 3HZ LYS 5 3HZ LYS 5 13.331 4.205 -16.001 40 H LYS 6 H LYS 6 16.163 8.125 -14.123 41 HA LYS 6 HA LYS 6 18.158 6.549 -12.716 42 1HB LYS 6 2HB LYS 6 17.204 9.234 -12.569 43 2HB LYS 6 1HB LYS 6 16.955 8.476 -11.002 44 1HG LYS 6 2HG LYS 6 19.368 7.746 -11.110 45 2HG LYS 6 1HG LYS 6 19.533 8.819 -12.503 46 1HD LYS 6 2HD LYS 6 19.405 10.699 -11.238 47 2HD LYS 6 1HD LYS 6 18.277 9.976 -10.090 48 1HE LYS 6 2HE LYS 6 21.249 9.486 -10.242 49 2HE LYS 6 1HE LYS 6 20.403 10.421 -9.010 50 1HZ LYS 6 1HZ LYS 6 19.116 8.105 -8.833 51 2HZ LYS 6 2HZ LYS 6 20.488 8.474 -7.914 52 3HZ LYS 6 3HZ LYS 6 20.637 7.542 -9.317 53 H LEU 7 H LEU 7 17.430 4.656 -11.969 54 HA LEU 7 HA LEU 7 14.974 4.689 -10.345 55 1HB LEU 7 2HB LEU 7 15.844 2.258 -11.870 56 2HB LEU 7 1HB LEU 7 14.268 2.625 -11.193 57 HG LEU 7 HG LEU 7 15.392 4.242 -13.461 58 1HD1 LEU 7 1HD1 LEU 7 13.627 1.832 -13.802 59 2HD1 LEU 7 2HD1 LEU 7 15.379 1.777 -13.999 60 3HD1 LEU 7 3HD1 LEU 7 14.404 2.801 -15.052 61 1HD2 LEU 7 1HD2 LEU 7 13.481 5.166 -12.279 62 2HD2 LEU 7 2HD2 LEU 7 12.590 3.661 -12.506 63 3HD2 LEU 7 3HD2 LEU 7 13.014 4.654 -13.900 64 H HIS 8 H HIS 8 15.755 4.625 -8.319 65 HA HIS 8 HA HIS 8 18.025 2.913 -7.682 66 1HB HIS 8 2HB HIS 8 17.516 5.355 -6.801 67 2HB HIS 8 1HB HIS 8 16.563 4.482 -5.604 68 HD1 HIS 8 1HD HIS 8 19.073 2.173 -6.065 69 HD2 HIS 8 2HD HIS 8 19.061 5.961 -4.361 70 HE1 HIS 8 1HE HIS 8 21.081 2.236 -4.554 71 HE2 HIS 8 2HE HIS 8 21.104 4.569 -3.602 72 H LYS 9 H LYS 9 17.524 0.829 -7.435 73 HA LYS 9 HA LYS 9 14.981 0.031 -6.291 74 1HB LYS 9 2HB LYS 9 16.695 -1.102 -8.145 75 2HB LYS 9 1HB LYS 9 16.944 -2.092 -6.715 76 1HG LYS 9 2HG LYS 9 14.222 -1.489 -7.832 77 2HG LYS 9 1HG LYS 9 15.179 -2.892 -8.312 78 1HD LYS 9 2HD LYS 9 14.533 -2.295 -5.436 79 2HD LYS 9 1HD LYS 9 13.455 -3.241 -6.468 80 1HE LYS 9 2HE LYS 9 14.863 -5.024 -6.535 81 2HE LYS 9 1HE LYS 9 16.311 -4.025 -6.423 82 1HZ LYS 9 1HZ LYS 9 16.304 -4.116 -4.192 83 2HZ LYS 9 2HZ LYS 9 15.385 -5.517 -4.424 84 3HZ LYS 9 3HZ LYS 9 14.617 -4.052 -4.067 85 H GLU 10 H GLU 10 14.807 0.210 -4.148 86 HA GLU 10 HA GLU 10 16.945 -0.960 -2.500 87 1HB GLU 10 2HB GLU 10 15.754 1.723 -2.378 88 2HB GLU 10 1HB GLU 10 15.811 0.892 -0.829 89 1HG GLU 10 2HG GLU 10 18.212 0.548 -1.099 90 2HG GLU 10 1HG GLU 10 18.156 1.383 -2.651 91 HA PRO 11 HA PRO 11 13.656 -3.646 -1.131 92 1HB PRO 11 2HB PRO 11 15.388 -3.857 1.279 93 2HB PRO 11 1HB PRO 11 14.700 -5.136 0.273 94 1HG PRO 11 2HG PRO 11 17.283 -4.516 0.100 95 2HG PRO 11 1HG PRO 11 16.346 -4.931 -1.347 96 1HD PRO 11 2HD PRO 11 17.256 -2.257 -0.375 97 2HD PRO 11 1HD PRO 11 17.133 -2.874 -2.035 98 H ALA 12 H ALA 12 11.808 -2.881 -0.348 99 HA ALA 12 HA ALA 12 11.793 -1.545 2.250 100 1HB ALA 12 1HB ALA 12 11.756 0.401 1.020 101 2HB ALA 12 2HB ALA 12 10.032 0.060 1.170 102 3HB ALA 12 3HB ALA 12 10.882 -0.337 -0.322 103 H THR 13 H THR 13 10.581 -2.929 3.379 104 HA THR 13 HA THR 13 7.994 -3.746 2.232 105 HB THR 13 HB THR 13 8.200 -5.916 3.063 106 HG1 THR 13 1HG THR 13 8.955 -6.137 4.989 107 1HG2 THR 13 1HG2 THR 13 11.111 -5.721 2.719 108 2HG2 THR 13 2HG2 THR 13 10.133 -5.139 1.372 109 3HG2 THR 13 3HG2 THR 13 9.938 -6.793 1.954 110 H LEU 14 H LEU 14 6.251 -3.939 3.701 111 HA LEU 14 HA LEU 14 6.386 -2.094 5.896 112 1HB LEU 14 2HB LEU 14 3.963 -3.089 6.248 113 2HB LEU 14 1HB LEU 14 4.307 -1.921 4.988 114 HG LEU 14 HG LEU 14 4.581 -4.761 4.211 115 1HD1 LEU 14 1HD1 LEU 14 1.851 -3.547 4.584 116 2HD1 LEU 14 2HD1 LEU 14 2.566 -4.725 5.686 117 3HD1 LEU 14 3HD1 LEU 14 2.241 -5.169 4.010 118 1HD2 LEU 14 1HD2 LEU 14 3.705 -3.973 2.147 119 2HD2 LEU 14 2HD2 LEU 14 4.868 -2.771 2.707 120 3HD2 LEU 14 3HD2 LEU 14 3.139 -2.475 2.887 121 H ILE 15 H ILE 15 6.281 -2.497 8.064 122 HA ILE 15 HA ILE 15 7.143 -5.149 8.870 123 HB ILE 15 HB ILE 15 8.314 -3.165 9.741 124 1HG1 ILE 15 2HG1 ILE 15 6.929 -4.502 12.053 125 2HG1 ILE 15 1HG1 ILE 15 8.020 -5.403 11.005 126 1HG2 ILE 15 1HG2 ILE 15 7.308 -1.668 11.307 127 2HG2 ILE 15 2HG2 ILE 15 5.812 -2.601 11.319 128 3HG2 ILE 15 3HG2 ILE 15 6.286 -1.716 9.869 129 1HD1 ILE 15 1HD1 ILE 15 8.909 -2.851 12.275 130 2HD1 ILE 15 2HD1 ILE 15 9.873 -4.212 11.701 131 3HD1 ILE 15 3HD1 ILE 15 8.925 -4.365 13.180 132 H LYS 16 H LYS 16 4.497 -2.897 9.676 133 HA LYS 16 HA LYS 16 2.771 -5.145 10.256 134 1HB LYS 16 2HB LYS 16 3.538 -3.160 12.399 135 2HB LYS 16 1HB LYS 16 2.160 -4.245 12.516 136 1HG LYS 16 2HG LYS 16 3.637 -6.169 12.414 137 2HG LYS 16 1HG LYS 16 5.032 -5.104 12.231 138 1HD LYS 16 2HD LYS 16 3.605 -4.234 14.515 139 2HD LYS 16 1HD LYS 16 3.750 -5.989 14.625 140 1HE LYS 16 2HE LYS 16 6.111 -5.895 14.492 141 2HE LYS 16 1HE LYS 16 6.086 -4.203 13.997 142 1HZ LYS 16 1HZ LYS 16 6.533 -4.995 16.491 143 2HZ LYS 16 2HZ LYS 16 4.856 -4.792 16.561 144 3HZ LYS 16 3HZ LYS 16 5.845 -3.499 16.105 145 H ALA 17 H ALA 17 0.745 -4.713 9.658 146 HA ALA 17 HA ALA 17 -0.006 -1.892 9.245 147 1HB ALA 17 1HB ALA 17 -0.009 -2.803 7.112 148 2HB ALA 17 2HB ALA 17 -1.695 -2.968 7.600 149 3HB ALA 17 3HB ALA 17 -0.617 -4.363 7.670 150 H ILE 18 H ILE 18 -1.806 -1.137 10.232 151 HA ILE 18 HA ILE 18 -2.961 -2.459 12.377 152 HB ILE 18 HB ILE 18 -3.091 -0.032 12.097 153 1HG1 ILE 18 2HG1 ILE 18 -5.841 -1.284 12.261 154 2HG1 ILE 18 1HG1 ILE 18 -4.681 -1.246 13.585 155 1HG2 ILE 18 1HG2 ILE 18 -5.289 -0.463 10.099 156 2HG2 ILE 18 2HG2 ILE 18 -3.613 -0.205 9.617 157 3HG2 ILE 18 3HG2 ILE 18 -4.470 1.039 10.528 158 1HD1 ILE 18 1HD1 ILE 18 -6.179 1.023 12.338 159 2HD1 ILE 18 2HD1 ILE 18 -4.720 1.293 13.293 160 3HD1 ILE 18 3HD1 ILE 18 -6.125 0.521 14.026 161 H ASP 19 H ASP 19 -4.248 -2.054 9.113 162 HA ASP 19 HA ASP 19 -5.313 -4.522 8.714 163 1HB ASP 19 2HB ASP 19 -6.760 -3.315 10.806 164 2HB ASP 19 1HB ASP 19 -7.793 -3.158 9.395 165 H GLY 20 H GLY 20 -7.937 -3.649 7.644 166 1HA GLY 20 2HA GLY 20 -7.147 -2.789 5.114 167 2HA GLY 20 1HA GLY 20 -8.784 -2.689 5.747 168 H ASP 21 H ASP 21 -7.263 -0.956 7.983 169 HA ASP 21 HA ASP 21 -8.121 1.531 6.932 170 1HB ASP 21 2HB ASP 21 -8.019 0.972 9.360 171 2HB ASP 21 1HB ASP 21 -6.264 1.052 9.268 172 H THR 22 H THR 22 -4.807 0.744 7.995 173 HA THR 22 HA THR 22 -3.745 1.871 5.527 174 HB THR 22 HB THR 22 -2.089 3.182 7.117 175 HG1 THR 22 1HG THR 22 -3.112 2.429 9.036 176 1HG2 THR 22 1HG2 THR 22 -4.466 4.774 7.166 177 2HG2 THR 22 2HG2 THR 22 -4.324 3.939 5.619 178 3HG2 THR 22 3HG2 THR 22 -3.008 4.963 6.191 179 H VAL 23 H VAL 23 -1.438 1.486 5.265 180 HA VAL 23 HA VAL 23 -0.483 -0.783 6.888 181 HB VAL 23 HB VAL 23 0.676 -1.632 4.884 182 1HG1 VAL 23 1HG1 VAL 23 -2.283 -1.260 4.431 183 2HG1 VAL 23 2HG1 VAL 23 -1.564 -2.457 5.508 184 3HG1 VAL 23 3HG1 VAL 23 -1.268 -2.542 3.771 185 1HG2 VAL 23 1HG2 VAL 23 1.065 -0.110 3.283 186 2HG2 VAL 23 2HG2 VAL 23 -0.303 0.891 3.769 187 3HG2 VAL 23 3HG2 VAL 23 -0.559 -0.507 2.725 188 H LYS 24 H LYS 24 1.253 -0.264 8.035 189 HA LYS 24 HA LYS 24 2.836 2.054 7.361 190 1HB LYS 24 2HB LYS 24 2.157 1.401 9.712 191 2HB LYS 24 1HB LYS 24 3.326 0.093 9.599 192 1HG LYS 24 2HG LYS 24 4.843 2.224 8.868 193 2HG LYS 24 1HG LYS 24 3.737 2.960 10.029 194 1HD LYS 24 2HD LYS 24 5.067 0.374 10.709 195 2HD LYS 24 1HD LYS 24 5.984 1.877 10.832 196 1HE LYS 24 2HE LYS 24 3.968 2.736 12.188 197 2HE LYS 24 1HE LYS 24 3.532 1.033 12.337 198 1HZ LYS 24 1HZ LYS 24 5.368 0.582 13.612 199 2HZ LYS 24 2HZ LYS 24 5.014 2.154 14.125 200 3HZ LYS 24 3HZ LYS 24 6.262 1.889 13.015 201 H LEU 25 H LEU 25 4.660 2.043 6.208 202 HA LEU 25 HA LEU 25 5.819 -0.515 5.450 203 1HB LEU 25 2HB LEU 25 5.754 2.177 4.325 204 2HB LEU 25 1HB LEU 25 7.345 1.441 4.241 205 HG LEU 25 HG LEU 25 6.148 -0.583 3.199 206 1HD1 LEU 25 1HD1 LEU 25 3.952 1.296 3.520 207 2HD1 LEU 25 2HD1 LEU 25 3.926 -0.437 3.192 208 3HD1 LEU 25 3HD1 LEU 25 4.121 0.708 1.865 209 1HD2 LEU 25 1HD2 LEU 25 6.868 2.015 2.012 210 2HD2 LEU 25 2HD2 LEU 25 5.903 0.948 0.994 211 3HD2 LEU 25 3HD2 LEU 25 7.450 0.393 1.637 212 H MET 26 H MET 26 8.179 -0.797 5.456 213 HA MET 26 HA MET 26 9.380 0.444 7.842 214 1HB MET 26 2HB MET 26 8.895 -2.100 7.763 215 2HB MET 26 1HB MET 26 10.278 -2.177 6.678 216 1HG MET 26 2HG MET 26 11.687 -1.176 8.403 217 2HG MET 26 1HG MET 26 10.302 -1.109 9.491 218 1HE MET 26 1HE MET 26 12.074 -3.626 11.391 219 2HE MET 26 2HE MET 26 12.258 -1.970 10.814 220 3HE MET 26 3HE MET 26 13.297 -3.244 10.178 221 H TYR 27 H TYR 27 10.427 2.154 6.897 222 HA TYR 27 HA TYR 27 12.447 1.492 4.858 223 1HB TYR 27 2HB TYR 27 10.567 3.134 4.269 224 2HB TYR 27 1HB TYR 27 11.356 4.254 5.373 225 HD1 TYR 27 1HD TYR 27 13.195 5.537 4.671 226 HD2 TYR 27 2HD TYR 27 11.895 2.262 2.287 227 HE1 TYR 27 1HE TYR 27 14.710 6.255 2.873 228 HE2 TYR 27 2HE TYR 27 13.407 2.970 0.480 229 HH TYR 27 HH TYR 27 15.837 5.324 0.935 230 H LYS 28 H LYS 28 14.216 1.056 6.087 231 HA LYS 28 HA LYS 28 16.018 1.405 7.430 232 1HB LYS 28 2HB LYS 28 15.337 4.309 6.935 233 2HB LYS 28 1HB LYS 28 16.858 3.720 7.593 234 1HG LYS 28 2HG LYS 28 15.976 2.624 4.984 235 2HG LYS 28 1HG LYS 28 16.552 4.292 5.028 236 1HD LYS 28 2HD LYS 28 18.689 3.681 5.485 237 2HD LYS 28 1HD LYS 28 18.196 2.293 6.457 238 1HE LYS 28 2HE LYS 28 17.406 1.357 4.134 239 2HE LYS 28 1HE LYS 28 18.582 2.512 3.509 240 1HZ LYS 28 1HZ LYS 28 19.977 0.794 3.806 241 2HZ LYS 28 2HZ LYS 28 19.009 0.043 4.972 242 3HZ LYS 28 3HZ LYS 28 20.014 1.331 5.410 243 H GLY 29 H GLY 29 13.682 0.844 8.793 244 1HA GLY 29 2HA GLY 29 12.937 0.797 10.969 245 2HA GLY 29 1HA GLY 29 14.330 1.778 11.399 246 H GLN 30 H GLN 30 12.182 2.942 8.951 247 HA GLN 30 HA GLN 30 11.113 4.901 10.874 248 1HB GLN 30 2HB GLN 30 12.626 5.874 9.185 249 2HB GLN 30 1HB GLN 30 11.591 5.249 7.909 250 1HG GLN 30 2HG GLN 30 9.791 6.679 8.585 251 2HG GLN 30 1HG GLN 30 10.691 7.210 10.004 252 1HE2 GLN 30 1HE2 GLN 30 13.095 7.845 9.159 253 2HE2 GLN 30 2HE2 GLN 30 13.055 9.072 7.945 254 HA PRO 31 HA PRO 31 7.142 3.183 9.836 255 1HB PRO 31 2HB PRO 31 5.577 5.001 11.066 256 2HB PRO 31 1HB PRO 31 6.531 3.817 11.968 257 1HG PRO 31 2HG PRO 31 7.131 6.696 11.402 258 2HG PRO 31 1HG PRO 31 7.320 5.792 12.916 259 1HD PRO 31 2HD PRO 31 9.390 6.314 11.229 260 2HD PRO 31 1HD PRO 31 9.323 4.871 12.261 261 H MET 32 H MET 32 6.975 3.435 7.614 262 HA MET 32 HA MET 32 6.237 6.064 6.569 263 1HB MET 32 2HB MET 32 7.692 3.827 5.543 264 2HB MET 32 1HB MET 32 6.300 4.104 4.508 265 1HG MET 32 2HG MET 32 6.970 6.370 4.114 266 2HG MET 32 1HG MET 32 8.275 6.231 5.291 267 1HE MET 32 1HE MET 32 9.128 6.873 1.654 268 2HE MET 32 2HE MET 32 10.549 6.653 2.675 269 3HE MET 32 3HE MET 32 9.132 7.491 3.307 270 H THR 33 H THR 33 4.347 6.392 5.340 271 HA THR 33 HA THR 33 2.209 4.460 5.938 272 HB THR 33 HB THR 33 1.621 6.487 6.960 273 HG1 THR 33 1HG THR 33 -0.071 5.731 5.649 274 1HG2 THR 33 1HG2 THR 33 3.020 7.734 4.715 275 2HG2 THR 33 2HG2 THR 33 2.844 8.264 6.386 276 3HG2 THR 33 3HG2 THR 33 1.549 8.560 5.228 277 H PHE 34 H PHE 34 0.794 3.799 4.342 278 HA PHE 34 HA PHE 34 1.302 4.722 1.607 279 1HB PHE 34 2HB PHE 34 2.628 2.652 1.992 280 2HB PHE 34 1HB PHE 34 1.137 1.801 2.381 281 HD1 PHE 34 1HD PHE 34 -0.622 1.570 0.602 282 HD2 PHE 34 2HD PHE 34 3.318 2.947 -0.227 283 HE1 PHE 34 1HE PHE 34 -0.949 1.055 -1.781 284 HE2 PHE 34 2HE PHE 34 2.999 2.435 -2.613 285 HZ PHE 34 HZ PHE 34 0.863 1.487 -3.393 286 H ARG 35 H ARG 35 -0.537 5.262 0.654 287 HA ARG 35 HA ARG 35 -2.742 5.394 0.110 288 1HB ARG 35 2HB ARG 35 -2.185 2.728 0.118 289 2HB ARG 35 1HB ARG 35 -3.494 2.799 1.290 290 1HG ARG 35 2HG ARG 35 -4.977 3.758 -0.308 291 2HG ARG 35 1HG ARG 35 -3.667 3.986 -1.469 292 1HD ARG 35 2HD ARG 35 -3.380 1.431 -1.315 293 2HD ARG 35 1HD ARG 35 -4.985 1.440 -0.588 294 HE ARG 35 HE ARG 35 -5.885 1.885 -2.648 295 1HH1 ARG 35 1HH1 ARG 35 -2.440 2.432 -2.769 296 2HH1 ARG 35 2HH1 ARG 35 -2.407 2.637 -4.489 297 1HH2 ARG 35 1HH2 ARG 35 -5.844 2.153 -4.909 298 2HH2 ARG 35 2HH2 ARG 35 -4.340 2.479 -5.704 299 H LEU 36 H LEU 36 -4.688 6.051 1.010 300 HA LEU 36 HA LEU 36 -4.919 5.830 3.935 301 1HB LEU 36 2HB LEU 36 -5.672 8.327 2.443 302 2HB LEU 36 1HB LEU 36 -5.465 8.111 4.171 303 HG LEU 36 HG LEU 36 -3.100 7.722 2.392 304 1HD1 LEU 36 1HD1 LEU 36 -2.766 9.900 1.924 305 2HD1 LEU 36 2HD1 LEU 36 -3.535 10.452 3.412 306 3HD1 LEU 36 3HD1 LEU 36 -4.525 9.973 2.034 307 1HD2 LEU 36 1HD2 LEU 36 -3.575 8.676 5.206 308 2HD2 LEU 36 2HD2 LEU 36 -2.009 8.783 4.404 309 3HD2 LEU 36 3HD2 LEU 36 -2.752 7.208 4.679 310 H LEU 37 H LEU 37 -6.611 4.480 4.112 311 HA LEU 37 HA LEU 37 -9.053 5.136 2.599 312 1HB LEU 37 2HB LEU 37 -7.761 2.574 3.298 313 2HB LEU 37 1HB LEU 37 -9.506 2.609 3.466 314 HG LEU 37 HG LEU 37 -9.536 3.510 1.057 315 1HD1 LEU 37 1HD1 LEU 37 -6.795 2.260 1.030 316 2HD1 LEU 37 2HD1 LEU 37 -7.091 3.998 1.024 317 3HD1 LEU 37 3HD1 LEU 37 -7.650 3.005 -0.322 318 1HD2 LEU 37 1HD2 LEU 37 -8.939 1.042 0.266 319 2HD2 LEU 37 2HD2 LEU 37 -10.409 1.415 1.165 320 3HD2 LEU 37 3HD2 LEU 37 -9.006 0.752 2.004 321 H LEU 38 H LEU 38 -10.226 6.387 3.936 322 HA LEU 38 HA LEU 38 -10.605 5.468 6.708 323 1HB LEU 38 2HB LEU 38 -11.426 7.853 7.066 324 2HB LEU 38 1HB LEU 38 -9.706 7.625 6.815 325 HG LEU 38 HG LEU 38 -11.379 8.254 4.435 326 1HD1 LEU 38 1HD1 LEU 38 -11.817 10.405 4.945 327 2HD1 LEU 38 2HD1 LEU 38 -10.369 10.581 5.934 328 3HD1 LEU 38 3HD1 LEU 38 -11.799 9.792 6.598 329 1HD2 LEU 38 1HD2 LEU 38 -9.245 8.106 3.717 330 2HD2 LEU 38 2HD2 LEU 38 -8.570 8.462 5.307 331 3HD2 LEU 38 3HD2 LEU 38 -9.165 9.773 4.287 332 H VAL 39 H VAL 39 -12.397 4.277 6.827 333 HA VAL 39 HA VAL 39 -14.772 5.140 5.318 334 HB VAL 39 HB VAL 39 -14.334 2.449 6.613 335 1HG1 VAL 39 1HG1 VAL 39 -16.338 1.833 5.792 336 2HG1 VAL 39 2HG1 VAL 39 -16.136 2.769 4.312 337 3HG1 VAL 39 3HG1 VAL 39 -16.655 3.567 5.794 338 1HG2 VAL 39 1HG2 VAL 39 -13.617 1.575 4.538 339 2HG2 VAL 39 2HG2 VAL 39 -12.663 3.035 4.800 340 3HG2 VAL 39 3HG2 VAL 39 -14.029 3.062 3.684 341 H ASP 40 H ASP 40 -16.685 5.552 6.340 342 HA ASP 40 HA ASP 40 -16.868 5.113 9.225 343 1HB ASP 40 2HB ASP 40 -15.981 7.453 8.706 344 2HB ASP 40 1HB ASP 40 -17.571 7.793 8.032 345 H THR 41 H THR 41 -18.442 3.550 8.809 346 HA THR 41 HA THR 41 -20.676 3.912 7.141 347 HB THR 41 HB THR 41 -21.677 2.066 8.612 348 HG1 THR 41 1HG THR 41 -20.499 2.423 10.485 349 1HG2 THR 41 1HG2 THR 41 -19.678 1.938 6.656 350 2HG2 THR 41 2HG2 THR 41 -20.782 0.662 7.166 351 3HG2 THR 41 3HG2 THR 41 -19.203 0.818 7.932 352 HA PRO 42 HA PRO 42 -23.226 6.621 9.519 353 1HB PRO 42 2HB PRO 42 -25.674 5.953 8.558 354 2HB PRO 42 1HB PRO 42 -24.501 6.895 7.629 355 1HG PRO 42 2HG PRO 42 -25.156 3.983 7.458 356 2HG PRO 42 1HG PRO 42 -24.841 5.140 6.154 357 1HD PRO 42 2HD PRO 42 -22.983 3.365 7.050 358 2HD PRO 42 1HD PRO 42 -22.562 4.948 6.366 359 H GLU 43 H GLU 43 -24.617 3.350 9.215 360 HA GLU 43 HA GLU 43 -24.727 3.048 12.072 361 1HB GLU 43 2HB GLU 43 -27.219 3.526 10.465 362 2HB GLU 43 1HB GLU 43 -27.267 2.542 11.921 363 1HG GLU 43 2HG GLU 43 -25.948 4.725 12.824 364 2HG GLU 43 1HG GLU 43 -26.999 5.444 11.604 365 H THR 44 H THR 44 -23.612 1.714 9.695 366 HA THR 44 HA THR 44 -24.490 -0.976 10.358 367 HB THR 44 HB THR 44 -25.962 -0.326 8.489 368 HG1 THR 44 1HG THR 44 -25.250 -2.493 8.646 369 1HG2 THR 44 1HG2 THR 44 -23.431 0.518 7.269 370 2HG2 THR 44 2HG2 THR 44 -25.077 1.093 7.000 371 3HG2 THR 44 3HG2 THR 44 -24.519 -0.386 6.219 372 H LYS 45 H LYS 45 -23.166 -2.395 8.431 373 HA LYS 45 HA LYS 45 -20.370 -1.543 8.803 374 1HB LYS 45 2HB LYS 45 -21.188 -3.616 10.055 375 2HB LYS 45 1HB LYS 45 -21.277 -4.396 8.481 376 1HG LYS 45 2HG LYS 45 -19.039 -4.591 8.298 377 2HG LYS 45 1HG LYS 45 -18.730 -3.057 9.114 378 1HD LYS 45 2HD LYS 45 -19.654 -5.561 10.517 379 2HD LYS 45 1HD LYS 45 -17.963 -5.079 10.372 380 1HE LYS 45 2HE LYS 45 -18.165 -3.424 11.900 381 2HE LYS 45 1HE LYS 45 -19.810 -3.024 11.405 382 1HZ LYS 45 1HZ LYS 45 -19.801 -3.933 13.621 383 2HZ LYS 45 2HZ LYS 45 -18.999 -5.327 13.097 384 3HZ LYS 45 3HZ LYS 45 -20.577 -5.016 12.578 385 H HIS 46 H HIS 46 -19.281 -1.114 7.014 386 HA HIS 46 HA HIS 46 -20.428 -1.466 4.440 387 1HB HIS 46 2HB HIS 46 -18.338 0.050 5.560 388 2HB HIS 46 1HB HIS 46 -17.595 -0.943 4.310 389 HD1 HIS 46 1HD HIS 46 -18.237 2.255 4.317 390 HD2 HIS 46 2HD HIS 46 -20.158 -0.740 2.170 391 HE1 HIS 46 1HE HIS 46 -19.291 3.411 2.347 392 HE2 HIS 46 2HE HIS 46 -20.528 1.593 1.116 393 HA PRO 47 HA PRO 47 -16.631 -4.578 3.735 394 1HB PRO 47 2HB PRO 47 -16.182 -5.834 6.236 395 2HB PRO 47 1HB PRO 47 -15.072 -4.783 5.355 396 1HG PRO 47 2HG PRO 47 -16.910 -4.140 7.597 397 2HG PRO 47 1HG PRO 47 -15.341 -3.426 7.183 398 1HD PRO 47 2HD PRO 47 -17.626 -2.112 6.734 399 2HD PRO 47 1HD PRO 47 -16.269 -2.006 5.593 400 H LYS 48 H LYS 48 -18.906 -5.244 6.399 401 HA LYS 48 HA LYS 48 -19.375 -7.932 5.807 402 1HB LYS 48 2HB LYS 48 -20.509 -5.918 7.521 403 2HB LYS 48 1HB LYS 48 -21.796 -6.864 6.789 404 1HG LYS 48 2HG LYS 48 -19.443 -8.067 8.224 405 2HG LYS 48 1HG LYS 48 -20.995 -7.716 8.987 406 1HD LYS 48 2HD LYS 48 -20.878 -9.376 6.499 407 2HD LYS 48 1HD LYS 48 -20.529 -10.103 8.069 408 1HE LYS 48 2HE LYS 48 -22.745 -10.437 8.169 409 2HE LYS 48 1HE LYS 48 -22.814 -8.732 8.607 410 1HZ LYS 48 1HZ LYS 48 -22.813 -8.555 5.957 411 2HZ LYS 48 2HZ LYS 48 -24.227 -8.659 6.876 412 3HZ LYS 48 3HZ LYS 48 -23.597 -10.043 6.139 413 H LYS 49 H LYS 49 -20.583 -5.033 4.317 414 HA LYS 49 HA LYS 49 -22.782 -6.252 2.963 415 1HB LYS 49 2HB LYS 49 -22.612 -3.810 3.451 416 2HB LYS 49 1HB LYS 49 -21.326 -3.699 2.258 417 1HG LYS 49 2HG LYS 49 -22.770 -4.100 0.481 418 2HG LYS 49 1HG LYS 49 -24.012 -4.794 1.523 419 1HD LYS 49 2HD LYS 49 -24.733 -2.728 2.263 420 2HD LYS 49 1HD LYS 49 -23.196 -1.945 1.895 421 1HE LYS 49 2HE LYS 49 -24.266 -1.154 0.091 422 2HE LYS 49 1HE LYS 49 -23.997 -2.764 -0.576 423 1HZ LYS 49 1HZ LYS 49 -26.248 -3.164 0.778 424 2HZ LYS 49 2HZ LYS 49 -26.216 -2.691 -0.845 425 3HZ LYS 49 3HZ LYS 49 -26.453 -1.535 0.366 426 H GLY 50 H GLY 50 -19.385 -5.820 2.281 427 1HA GLY 50 2HA GLY 50 -18.412 -7.489 0.759 428 2HA GLY 50 1HA GLY 50 -19.798 -7.221 -0.288 429 H VAL 51 H VAL 51 -17.786 -4.828 1.382 430 HA VAL 51 HA VAL 51 -17.318 -3.520 -1.193 431 HB VAL 51 HB VAL 51 -16.474 -1.624 0.164 432 1HG1 VAL 51 1HG1 VAL 51 -19.002 -2.234 -0.397 433 2HG1 VAL 51 2HG1 VAL 51 -18.561 -0.796 0.523 434 3HG1 VAL 51 3HG1 VAL 51 -19.113 -2.246 1.364 435 1HG2 VAL 51 1HG2 VAL 51 -15.728 -3.044 2.085 436 2HG2 VAL 51 2HG2 VAL 51 -17.421 -3.197 2.552 437 3HG2 VAL 51 3HG2 VAL 51 -16.648 -1.612 2.547 438 H GLU 52 H GLU 52 -15.633 -5.159 1.391 439 HA GLU 52 HA GLU 52 -13.026 -4.498 0.263 440 1HB GLU 52 2HB GLU 52 -14.010 -5.642 2.819 441 2HB GLU 52 1HB GLU 52 -12.426 -6.176 2.272 442 1HG GLU 52 2HG GLU 52 -11.749 -3.793 2.097 443 2HG GLU 52 1HG GLU 52 -13.300 -3.349 2.810 444 H LYS 53 H LYS 53 -15.216 -6.444 -0.832 445 HA LYS 53 HA LYS 53 -15.255 -8.308 -2.099 446 1HB LYS 53 2HB LYS 53 -12.259 -8.054 -1.858 447 2HB LYS 53 1HB LYS 53 -13.072 -9.201 -2.907 448 1HG LYS 53 2HG LYS 53 -13.116 -6.205 -3.085 449 2HG LYS 53 1HG LYS 53 -12.432 -7.349 -4.240 450 1HD LYS 53 2HD LYS 53 -14.388 -7.065 -5.319 451 2HD LYS 53 1HD LYS 53 -15.003 -8.207 -4.122 452 1HE LYS 53 2HE LYS 53 -16.513 -6.604 -3.685 453 2HE LYS 53 1HE LYS 53 -15.203 -5.860 -2.770 454 1HZ LYS 53 1HZ LYS 53 -15.688 -4.117 -4.086 455 2HZ LYS 53 2HZ LYS 53 -16.373 -5.066 -5.307 456 3HZ LYS 53 3HZ LYS 53 -14.692 -4.915 -5.197 457 H TYR 54 H TYR 54 -14.526 -8.305 1.043 458 HA TYR 54 HA TYR 54 -15.294 -10.873 1.608 459 1HB TYR 54 2HB TYR 54 -12.738 -11.001 0.535 460 2HB TYR 54 1HB TYR 54 -12.454 -11.050 2.270 461 HD1 TYR 54 1HD TYR 54 -14.044 -12.775 -0.561 462 HD2 TYR 54 2HD TYR 54 -13.118 -12.947 3.589 463 HE1 TYR 54 1HE TYR 54 -14.630 -15.163 -0.534 464 HE2 TYR 54 2HE TYR 54 -13.700 -15.334 3.627 465 HH TYR 54 HH TYR 54 -14.198 -17.151 0.769 466 H GLY 55 H GLY 55 -13.478 -8.046 2.481 467 1HA GLY 55 2HA GLY 55 -13.812 -6.820 4.453 468 2HA GLY 55 1HA GLY 55 -14.524 -8.242 5.194 469 HA PRO 56 HA PRO 56 -10.793 -8.645 7.562 470 1HB PRO 56 2HB PRO 56 -11.343 -11.561 7.428 471 2HB PRO 56 1HB PRO 56 -11.093 -10.527 8.838 472 1HG PRO 56 2HG PRO 56 -13.528 -11.405 8.213 473 2HG PRO 56 1HG PRO 56 -13.283 -9.759 8.827 474 1HD PRO 56 2HD PRO 56 -13.778 -10.685 6.027 475 2HD PRO 56 1HD PRO 56 -14.395 -9.246 6.865 476 H GLU 57 H GLU 57 -11.389 -10.518 4.667 477 HA GLU 57 HA GLU 57 -8.730 -11.530 4.412 478 1HB GLU 57 2HB GLU 57 -11.114 -12.147 3.245 479 2HB GLU 57 1HB GLU 57 -10.327 -11.253 1.952 480 1HG GLU 57 2HG GLU 57 -8.981 -13.519 3.385 481 2HG GLU 57 1HG GLU 57 -10.016 -13.767 1.980 482 H ALA 58 H ALA 58 -10.450 -8.703 3.202 483 HA ALA 58 HA ALA 58 -8.771 -7.774 1.249 484 1HB ALA 58 1HB ALA 58 -9.412 -5.436 2.278 485 2HB ALA 58 2HB ALA 58 -10.505 -6.421 3.250 486 3HB ALA 58 3HB ALA 58 -10.619 -6.452 1.491 487 H SER 59 H SER 59 -8.153 -7.934 4.665 488 HA SER 59 HA SER 59 -5.796 -6.228 4.445 489 1HB SER 59 2HB SER 59 -6.464 -7.684 6.963 490 2HB SER 59 1HB SER 59 -5.829 -6.055 6.742 491 HG SER 59 HG SER 59 -7.852 -5.591 7.205 492 H ALA 60 H ALA 60 -6.699 -9.578 4.809 493 HA ALA 60 HA ALA 60 -4.317 -10.721 5.632 494 1HB ALA 60 1HB ALA 60 -6.705 -11.653 4.179 495 2HB ALA 60 2HB ALA 60 -5.911 -12.316 5.607 496 3HB ALA 60 3HB ALA 60 -5.257 -12.644 4.002 497 H PHE 61 H PHE 61 -5.397 -10.026 2.307 498 HA PHE 61 HA PHE 61 -3.342 -11.134 0.870 499 1HB PHE 61 2HB PHE 61 -4.355 -10.113 -0.851 500 2HB PHE 61 1HB PHE 61 -5.448 -9.393 0.322 501 HD1 PHE 61 1HD PHE 61 -5.414 -7.080 0.752 502 HD2 PHE 61 2HD PHE 61 -2.339 -8.840 -1.597 503 HE1 PHE 61 1HE PHE 61 -4.635 -4.839 0.109 504 HE2 PHE 61 2HE PHE 61 -1.550 -6.601 -2.248 505 HZ PHE 61 HZ PHE 61 -2.698 -4.596 -1.394 506 H THR 62 H THR 62 -3.398 -7.914 2.361 507 HA THR 62 HA THR 62 -0.644 -7.407 1.651 508 HB THR 62 HB THR 62 -2.230 -5.551 1.710 509 HG1 THR 62 1HG THR 62 -0.698 -4.310 2.396 510 1HG2 THR 62 1HG2 THR 62 -3.072 -4.683 3.845 511 2HG2 THR 62 2HG2 THR 62 -2.484 -6.139 4.649 512 3HG2 THR 62 3HG2 THR 62 -3.756 -6.255 3.432 513 H LYS 63 H LYS 63 -2.426 -8.685 4.332 514 HA LYS 63 HA LYS 63 -0.465 -8.309 6.341 515 1HB LYS 63 2HB LYS 63 -2.956 -8.870 6.624 516 2HB LYS 63 1HB LYS 63 -2.484 -10.537 6.322 517 1HG LYS 63 2HG LYS 63 -2.591 -10.237 8.672 518 2HG LYS 63 1HG LYS 63 -0.885 -10.345 8.232 519 1HD LYS 63 2HD LYS 63 -1.147 -8.564 9.819 520 2HD LYS 63 1HD LYS 63 -0.790 -7.856 8.244 521 1HE LYS 63 2HE LYS 63 -2.602 -6.591 8.492 522 2HE LYS 63 1HE LYS 63 -3.571 -8.056 8.338 523 1HZ LYS 63 1HZ LYS 63 -3.605 -8.318 10.682 524 2HZ LYS 63 2HZ LYS 63 -4.029 -6.712 10.362 525 3HZ LYS 63 3HZ LYS 63 -2.473 -7.081 10.916 526 H LYS 64 H LYS 64 -0.905 -10.639 3.809 527 HA LYS 64 HA LYS 64 1.065 -12.464 4.946 528 1HB LYS 64 2HB LYS 64 -0.908 -12.577 2.722 529 2HB LYS 64 1HB LYS 64 0.549 -13.545 2.550 530 1HG LYS 64 2HG LYS 64 -0.029 -14.394 4.927 531 2HG LYS 64 1HG LYS 64 -1.642 -13.771 4.567 532 1HD LYS 64 2HD LYS 64 -1.379 -15.121 2.359 533 2HD LYS 64 1HD LYS 64 -0.129 -15.991 3.249 534 1HE LYS 64 2HE LYS 64 -1.865 -17.290 3.875 535 2HE LYS 64 1HE LYS 64 -2.102 -16.020 5.074 536 1HZ LYS 64 1HZ LYS 64 -3.377 -15.602 2.495 537 2HZ LYS 64 2HZ LYS 64 -3.952 -15.280 4.052 538 3HZ LYS 64 3HZ LYS 64 -4.013 -16.853 3.438 539 H MET 65 H MET 65 0.769 -9.932 2.620 540 HA MET 65 HA MET 65 2.892 -10.461 0.904 541 1HB MET 65 2HB MET 65 1.086 -8.575 0.899 542 2HB MET 65 1HB MET 65 2.292 -7.670 1.804 543 1HG MET 65 2HG MET 65 3.882 -7.934 -0.011 544 2HG MET 65 1HG MET 65 2.712 -8.895 -0.913 545 1HE MET 65 1HE MET 65 3.070 -5.876 1.148 546 2HE MET 65 2HE MET 65 1.600 -4.988 0.744 547 3HE MET 65 3HE MET 65 3.121 -4.589 -0.057 548 H VAL 66 H VAL 66 2.974 -9.728 4.238 549 HA VAL 66 HA VAL 66 5.755 -8.804 4.077 550 HB VAL 66 HB VAL 66 5.492 -8.105 6.404 551 1HG1 VAL 66 1HG1 VAL 66 3.067 -7.006 5.074 552 2HG1 VAL 66 2HG1 VAL 66 4.631 -6.785 4.289 553 3HG1 VAL 66 3HG1 VAL 66 4.368 -6.167 5.920 554 1HG2 VAL 66 1HG2 VAL 66 2.698 -9.198 6.115 555 2HG2 VAL 66 2HG2 VAL 66 3.228 -8.156 7.435 556 3HG2 VAL 66 3HG2 VAL 66 3.952 -9.749 7.227 557 H GLU 67 H GLU 67 3.713 -11.222 5.686 558 HA GLU 67 HA GLU 67 6.092 -12.512 6.783 559 1HB GLU 67 2HB GLU 67 3.297 -12.352 7.525 560 2HB GLU 67 1HB GLU 67 3.848 -14.021 7.492 561 1HG GLU 67 2HG GLU 67 5.861 -13.066 8.861 562 2HG GLU 67 1HG GLU 67 4.726 -11.766 9.223 563 H ASN 68 H ASN 68 3.124 -13.791 5.314 564 HA ASN 68 HA ASN 68 4.265 -16.217 4.499 565 1HB ASN 68 2HB ASN 68 1.733 -14.784 4.028 566 2HB ASN 68 1HB ASN 68 2.180 -15.931 2.769 567 1HD2 ASN 68 1HD2 ASN 68 3.341 -17.945 4.091 568 2HD2 ASN 68 2HD2 ASN 68 2.236 -18.674 5.200 569 H ALA 69 H ALA 69 4.440 -13.094 3.084 570 HA ALA 69 HA ALA 69 5.176 -14.136 0.465 571 1HB ALA 69 1HB ALA 69 3.773 -11.955 1.128 572 2HB ALA 69 2HB ALA 69 4.702 -12.090 -0.368 573 3HB ALA 69 3HB ALA 69 5.385 -11.246 1.021 574 H LYS 70 H LYS 70 7.086 -12.699 -0.526 575 HA LYS 70 HA LYS 70 9.408 -13.414 1.052 576 1HB LYS 70 2HB LYS 70 8.948 -13.592 -1.584 577 2HB LYS 70 1HB LYS 70 9.711 -12.009 -1.546 578 1HG LYS 70 2HG LYS 70 11.647 -13.091 -1.652 579 2HG LYS 70 1HG LYS 70 11.369 -13.542 0.032 580 1HD LYS 70 2HD LYS 70 10.897 -15.683 -0.491 581 2HD LYS 70 1HD LYS 70 10.012 -15.237 -1.952 582 1HE LYS 70 2HE LYS 70 12.544 -14.586 -2.664 583 2HE LYS 70 1HE LYS 70 12.843 -15.954 -1.592 584 1HZ LYS 70 1HZ LYS 70 10.806 -16.146 -3.713 585 2HZ LYS 70 2HZ LYS 70 11.672 -17.383 -2.953 586 3HZ LYS 70 3HZ LYS 70 12.441 -16.384 -4.081 587 H LYS 71 H LYS 71 8.690 -10.490 -0.864 588 HA LYS 71 HA LYS 71 8.776 -8.608 1.145 589 1HB LYS 71 2HB LYS 71 11.170 -7.742 0.756 590 2HB LYS 71 1HB LYS 71 10.959 -9.133 1.811 591 1HG LYS 71 2HG LYS 71 11.950 -10.572 0.349 592 2HG LYS 71 1HG LYS 71 11.472 -9.636 -1.069 593 1HD LYS 71 2HD LYS 71 13.189 -7.989 0.443 594 2HD LYS 71 1HD LYS 71 13.940 -9.586 0.391 595 1HE LYS 71 2HE LYS 71 14.758 -8.847 -1.576 596 2HE LYS 71 1HE LYS 71 13.175 -9.334 -2.180 597 1HZ LYS 71 1HZ LYS 71 13.529 -6.617 -1.123 598 2HZ LYS 71 2HZ LYS 71 12.457 -7.176 -2.306 599 3HZ LYS 71 3HZ LYS 71 14.095 -6.973 -2.678 600 H ILE 72 H ILE 72 8.726 -6.474 0.369 601 HA ILE 72 HA ILE 72 8.431 -6.289 -2.544 602 HB ILE 72 HB ILE 72 7.505 -4.194 -0.602 603 1HG1 ILE 72 2HG1 ILE 72 5.227 -5.565 -1.209 604 2HG1 ILE 72 1HG1 ILE 72 6.389 -6.880 -1.065 605 1HG2 ILE 72 1HG2 ILE 72 6.827 -4.934 -3.422 606 2HG2 ILE 72 2HG2 ILE 72 7.465 -3.410 -2.810 607 3HG2 ILE 72 3HG2 ILE 72 5.801 -3.878 -2.454 608 1HD1 ILE 72 1HD1 ILE 72 6.918 -6.251 1.174 609 2HD1 ILE 72 2HD1 ILE 72 5.163 -6.348 1.025 610 3HD1 ILE 72 3HD1 ILE 72 5.962 -4.775 1.038 611 H GLU 73 H GLU 73 9.090 -4.251 -3.571 612 HA GLU 73 HA GLU 73 11.359 -2.948 -2.238 613 1HB GLU 73 2HB GLU 73 11.418 -3.760 -5.142 614 2HB GLU 73 1HB GLU 73 12.743 -3.130 -4.173 615 1HG GLU 73 2HG GLU 73 13.168 -5.129 -3.193 616 2HG GLU 73 1HG GLU 73 11.487 -5.652 -3.270 617 H VAL 74 H VAL 74 11.790 -0.816 -2.899 618 HA VAL 74 HA VAL 74 9.501 0.481 -4.196 619 HB VAL 74 HB VAL 74 10.116 1.300 -1.958 620 1HG1 VAL 74 1HG1 VAL 74 12.712 0.969 -2.777 621 2HG1 VAL 74 2HG1 VAL 74 12.194 1.820 -1.323 622 3HG1 VAL 74 3HG1 VAL 74 12.517 2.722 -2.802 623 1HG2 VAL 74 1HG2 VAL 74 9.014 2.916 -3.220 624 2HG2 VAL 74 2HG2 VAL 74 10.381 3.132 -4.314 625 3HG2 VAL 74 3HG2 VAL 74 10.464 3.753 -2.664 626 H GLU 75 H GLU 75 9.749 0.742 -6.318 627 HA GLU 75 HA GLU 75 12.395 1.104 -7.466 628 1HB GLU 75 2HB GLU 75 10.265 -0.261 -8.366 629 2HB GLU 75 1HB GLU 75 9.973 1.274 -9.171 630 1HG GLU 75 2HG GLU 75 11.411 0.701 -10.745 631 2HG GLU 75 1HG GLU 75 12.697 0.675 -9.540 632 H PHE 76 H PHE 76 12.233 2.700 -9.505 633 HA PHE 76 HA PHE 76 12.532 4.883 -10.067 634 1HB PHE 76 2HB PHE 76 10.395 6.273 -9.798 635 2HB PHE 76 1HB PHE 76 10.299 4.815 -10.776 636 HD1 PHE 76 1HD PHE 76 9.058 2.884 -10.011 637 HD2 PHE 76 2HD PHE 76 9.277 6.427 -7.665 638 HE1 PHE 76 1HE PHE 76 7.187 2.080 -8.631 639 HE2 PHE 76 2HE PHE 76 7.405 5.630 -6.280 640 HZ PHE 76 HZ PHE 76 6.359 3.454 -6.762 641 H ASP 77 H ASP 77 13.844 6.278 -9.141 642 HA ASP 77 HA ASP 77 13.268 7.148 -6.385 643 1HB ASP 77 2HB ASP 77 15.385 5.820 -6.753 644 2HB ASP 77 1HB ASP 77 15.972 7.159 -7.734 645 H LYS 78 H LYS 78 12.176 8.327 -8.798 646 HA LYS 78 HA LYS 78 13.527 10.630 -9.622 647 1HB LYS 78 2HB LYS 78 10.646 9.812 -9.578 648 2HB LYS 78 1HB LYS 78 11.074 11.457 -10.030 649 1HG LYS 78 2HG LYS 78 12.460 9.186 -11.368 650 2HG LYS 78 1HG LYS 78 10.809 9.593 -11.842 651 1HD LYS 78 2HD LYS 78 11.418 11.712 -12.596 652 2HD LYS 78 1HD LYS 78 12.921 11.712 -11.672 653 1HE LYS 78 2HE LYS 78 12.278 10.161 -14.169 654 2HE LYS 78 1HE LYS 78 13.505 11.408 -13.955 655 1HZ LYS 78 1HZ LYS 78 14.737 9.491 -13.836 656 2HZ LYS 78 2HZ LYS 78 13.527 8.611 -13.049 657 3HZ LYS 78 3HZ LYS 78 14.422 9.765 -12.196 658 H GLY 79 H GLY 79 11.712 9.967 -6.732 659 1HA GLY 79 2HA GLY 79 12.140 11.295 -4.764 660 2HA GLY 79 1HA GLY 79 12.312 12.700 -5.808 661 H GLN 80 H GLN 80 10.407 13.603 -6.775 662 HA GLN 80 HA GLN 80 8.113 13.397 -5.015 663 1HB GLN 80 2HB GLN 80 9.083 15.311 -7.057 664 2HB GLN 80 1HB GLN 80 7.337 15.187 -6.885 665 1HG GLN 80 2HG GLN 80 7.344 16.332 -4.985 666 2HG GLN 80 1HG GLN 80 8.669 15.377 -4.321 667 1HE2 GLN 80 1HE2 GLN 80 10.590 16.311 -4.115 668 2HE2 GLN 80 2HE2 GLN 80 11.047 17.828 -4.799 669 H ARG 81 H ARG 81 6.687 11.829 -5.373 670 HA ARG 81 HA ARG 81 6.078 11.087 -8.156 671 1HB ARG 81 2HB ARG 81 5.484 9.439 -5.700 672 2HB ARG 81 1HB ARG 81 5.461 8.918 -7.380 673 1HG ARG 81 2HG ARG 81 7.734 8.732 -7.501 674 2HG ARG 81 1HG ARG 81 8.012 9.951 -6.258 675 1HD ARG 81 2HD ARG 81 6.622 7.487 -5.404 676 2HD ARG 81 1HD ARG 81 8.321 7.319 -5.842 677 HE ARG 81 HE ARG 81 7.243 8.655 -3.531 678 1HH1 ARG 81 1HH1 ARG 81 9.988 8.373 -5.669 679 2HH1 ARG 81 2HH1 ARG 81 11.115 8.986 -4.505 680 1HH2 ARG 81 1HH2 ARG 81 8.724 9.463 -2.001 681 2HH2 ARG 81 2HH2 ARG 81 10.398 9.606 -2.424 682 H THR 82 H THR 82 4.642 11.825 -5.011 683 HA THR 82 HA THR 82 2.116 12.409 -6.402 684 HB THR 82 HB THR 82 0.881 11.579 -4.435 685 HG1 THR 82 1HG THR 82 3.396 10.615 -3.554 686 1HG2 THR 82 1HG2 THR 82 2.725 9.383 -5.298 687 2HG2 THR 82 2HG2 THR 82 1.490 10.049 -6.368 688 3HG2 THR 82 3HG2 THR 82 1.022 9.289 -4.847 689 H ASP 83 H ASP 83 1.204 14.319 -5.933 690 HA ASP 83 HA ASP 83 2.644 16.120 -4.178 691 1HB ASP 83 2HB ASP 83 0.163 16.696 -5.807 692 2HB ASP 83 1HB ASP 83 1.295 17.867 -5.134 693 H LYS 84 H LYS 84 0.129 13.946 -3.821 694 HA LYS 84 HA LYS 84 -1.607 15.389 -2.103 695 1HB LYS 84 2HB LYS 84 -2.348 13.059 -1.412 696 2HB LYS 84 1HB LYS 84 -2.494 13.446 -3.121 697 1HG LYS 84 2HG LYS 84 -1.205 11.736 -3.676 698 2HG LYS 84 1HG LYS 84 0.077 12.288 -2.596 699 1HD LYS 84 2HD LYS 84 -0.415 10.215 -1.709 700 2HD LYS 84 1HD LYS 84 -1.441 11.268 -0.733 701 1HE LYS 84 2HE LYS 84 -3.010 10.662 -2.930 702 2HE LYS 84 1HE LYS 84 -2.167 9.152 -2.587 703 1HZ LYS 84 1HZ LYS 84 -3.227 8.901 -0.623 704 2HZ LYS 84 2HZ LYS 84 -4.408 9.846 -1.379 705 3HZ LYS 84 3HZ LYS 84 -3.310 10.561 -0.308 706 H TYR 85 H TYR 85 1.340 13.577 -1.612 707 HA TYR 85 HA TYR 85 1.890 14.751 0.875 708 1HB TYR 85 2HB TYR 85 -0.038 13.126 1.435 709 2HB TYR 85 1HB TYR 85 1.153 11.852 1.202 710 HD1 TYR 85 1HD TYR 85 1.887 11.000 3.208 711 HD2 TYR 85 2HD TYR 85 1.198 15.188 2.901 712 HE1 TYR 85 1HE TYR 85 2.658 11.292 5.525 713 HE2 TYR 85 2HE TYR 85 1.968 15.490 5.217 714 HH TYR 85 HH TYR 85 2.078 13.938 7.337 715 H GLY 86 H GLY 86 2.329 11.945 -1.212 716 1HA GLY 86 2HA GLY 86 4.509 11.584 -2.210 717 2HA GLY 86 1HA GLY 86 5.229 12.132 -0.703 718 H ARG 87 H ARG 87 2.847 10.374 0.466 719 HA ARG 87 HA ARG 87 4.307 7.826 0.259 720 1HB ARG 87 2HB ARG 87 3.792 9.431 2.572 721 2HB ARG 87 1HB ARG 87 2.924 7.911 2.734 722 1HG ARG 87 2HG ARG 87 4.904 7.292 3.647 723 2HG ARG 87 1HG ARG 87 5.260 6.928 1.957 724 1HD ARG 87 2HD ARG 87 7.121 8.130 2.811 725 2HD ARG 87 1HD ARG 87 6.228 9.236 1.767 726 HE ARG 87 HE ARG 87 5.453 9.427 4.518 727 1HH1 ARG 87 1HH1 ARG 87 7.796 10.480 2.156 728 2HH1 ARG 87 2HH1 ARG 87 8.193 11.930 3.015 729 1HH2 ARG 87 1HH2 ARG 87 5.974 11.333 5.648 730 2HH2 ARG 87 2HH2 ARG 87 7.160 12.415 4.997 731 H GLY 88 H GLY 88 1.249 9.457 0.244 732 1HA GLY 88 2HA GLY 88 -0.547 7.426 0.776 733 2HA GLY 88 1HA GLY 88 -0.844 8.736 -0.358 734 H LEU 89 H LEU 89 -0.264 8.426 -2.586 735 HA LEU 89 HA LEU 89 -0.612 5.655 -3.395 736 1HB LEU 89 2HB LEU 89 -1.835 7.740 -4.353 737 2HB LEU 89 1HB LEU 89 -0.368 7.966 -5.287 738 HG LEU 89 HG LEU 89 -0.816 5.416 -5.911 739 1HD1 LEU 89 1HD1 LEU 89 -2.740 4.783 -4.901 740 2HD1 LEU 89 2HD1 LEU 89 -3.453 5.527 -6.332 741 3HD1 LEU 89 3HD1 LEU 89 -3.369 6.428 -4.818 742 1HD2 LEU 89 1HD2 LEU 89 -0.763 7.632 -7.299 743 2HD2 LEU 89 2HD2 LEU 89 -2.515 7.425 -7.314 744 3HD2 LEU 89 3HD2 LEU 89 -1.473 6.168 -7.979 745 H ALA 90 H ALA 90 1.088 4.407 -3.751 746 HA ALA 90 HA ALA 90 3.388 5.491 -5.189 747 1HB ALA 90 1HB ALA 90 4.800 4.068 -3.477 748 2HB ALA 90 2HB ALA 90 3.441 4.426 -2.412 749 3HB ALA 90 3HB ALA 90 4.363 5.743 -3.136 750 H TYR 91 H TYR 91 4.423 4.022 -6.486 751 HA TYR 91 HA TYR 91 2.997 1.575 -7.019 752 1HB TYR 91 2HB TYR 91 4.985 3.236 -8.390 753 2HB TYR 91 1HB TYR 91 5.244 1.510 -8.613 754 HD1 TYR 91 1HD TYR 91 3.526 4.343 -9.803 755 HD2 TYR 91 2HD TYR 91 3.103 0.142 -9.291 756 HE1 TYR 91 1HE TYR 91 1.776 4.316 -11.530 757 HE2 TYR 91 2HE TYR 91 1.352 0.102 -11.017 758 HH TYR 91 HH TYR 91 0.827 1.791 -13.145 759 H ILE 92 H ILE 92 3.486 -0.387 -6.291 760 HA ILE 92 HA ILE 92 6.185 -0.858 -5.213 761 HB ILE 92 HB ILE 92 5.221 -2.256 -3.439 762 1HG1 ILE 92 2HG1 ILE 92 3.066 -2.689 -4.727 763 2HG1 ILE 92 1HG1 ILE 92 2.894 -2.389 -3.002 764 1HG2 ILE 92 1HG2 ILE 92 4.790 0.644 -3.653 765 2HG2 ILE 92 2HG2 ILE 92 5.662 -0.292 -2.439 766 3HG2 ILE 92 3HG2 ILE 92 3.905 -0.161 -2.356 767 1HD1 ILE 92 1HD1 ILE 92 1.496 -0.729 -3.411 768 2HD1 ILE 92 2HD1 ILE 92 1.611 -1.086 -5.134 769 3HD1 ILE 92 3HD1 ILE 92 2.704 0.089 -4.402 770 H TYR 93 H TYR 93 6.975 -2.983 -5.382 771 HA TYR 93 HA TYR 93 5.381 -4.826 -7.020 772 1HB TYR 93 2HB TYR 93 8.292 -4.164 -7.508 773 2HB TYR 93 1HB TYR 93 7.333 -5.339 -8.404 774 HD1 TYR 93 1HD TYR 93 7.541 -1.713 -7.591 775 HD2 TYR 93 2HD TYR 93 6.121 -4.678 -10.291 776 HE1 TYR 93 1HE TYR 93 6.857 0.054 -9.160 777 HE2 TYR 93 2HE TYR 93 5.433 -2.921 -11.868 778 HH TYR 93 HH TYR 93 5.091 0.245 -11.061 779 H ALA 94 H ALA 94 5.004 -6.094 -5.187 780 HA ALA 94 HA ALA 94 7.174 -7.071 -3.583 781 1HB ALA 94 1HB ALA 94 5.543 -8.176 -2.294 782 2HB ALA 94 2HB ALA 94 4.375 -8.162 -3.617 783 3HB ALA 94 3HB ALA 94 4.796 -6.659 -2.796 784 H ASP 95 H ASP 95 8.511 -8.592 -4.228 785 HA ASP 95 HA ASP 95 9.336 -10.527 -5.082 786 1HB ASP 95 2HB ASP 95 7.153 -11.411 -3.981 787 2HB ASP 95 1HB ASP 95 6.552 -11.514 -5.635 788 H GLY 96 H GLY 96 8.584 -8.194 -6.761 789 1HA GLY 96 2HA GLY 96 9.210 -7.878 -9.019 790 2HA GLY 96 1HA GLY 96 8.838 -9.567 -9.333 791 H LYS 97 H LYS 97 6.221 -9.405 -8.001 792 HA LYS 97 HA LYS 97 4.782 -7.622 -9.839 793 1HB LYS 97 2HB LYS 97 3.899 -10.452 -9.293 794 2HB LYS 97 1HB LYS 97 3.248 -9.331 -10.480 795 1HG LYS 97 2HG LYS 97 5.081 -9.571 -11.897 796 2HG LYS 97 1HG LYS 97 6.093 -10.248 -10.620 797 1HD LYS 97 2HD LYS 97 4.291 -12.142 -10.602 798 2HD LYS 97 1HD LYS 97 3.936 -11.547 -12.225 799 1HE LYS 97 2HE LYS 97 5.851 -12.365 -13.078 800 2HE LYS 97 1HE LYS 97 6.789 -11.934 -11.649 801 1HZ LYS 97 1HZ LYS 97 6.272 -13.904 -10.607 802 2HZ LYS 97 2HZ LYS 97 6.406 -14.406 -12.215 803 3HZ LYS 97 3HZ LYS 97 4.878 -14.170 -11.530 804 H MET 98 H MET 98 3.174 -6.513 -8.927 805 HA MET 98 HA MET 98 2.798 -6.431 -6.168 806 1HB MET 98 2HB MET 98 0.666 -5.171 -6.772 807 2HB MET 98 1HB MET 98 2.175 -4.516 -7.390 808 1HG MET 98 2HG MET 98 0.894 -6.412 -9.199 809 2HG MET 98 1HG MET 98 -0.081 -4.985 -8.857 810 1HE MET 98 1HE MET 98 0.953 -2.623 -8.825 811 2HE MET 98 2HE MET 98 2.178 -2.069 -9.965 812 3HE MET 98 3HE MET 98 2.663 -2.830 -8.451 813 H VAL 99 H VAL 99 0.868 -6.924 -4.916 814 HA VAL 99 HA VAL 99 -0.205 -9.535 -5.663 815 HB VAL 99 HB VAL 99 -0.570 -8.131 -3.021 816 1HG1 VAL 99 1HG1 VAL 99 -2.101 -9.930 -3.290 817 2HG1 VAL 99 2HG1 VAL 99 -0.811 -10.507 -2.236 818 3HG1 VAL 99 3HG1 VAL 99 -0.843 -10.988 -3.932 819 1HG2 VAL 99 1HG2 VAL 99 1.317 -9.719 -2.307 820 2HG2 VAL 99 2HG2 VAL 99 1.759 -8.253 -3.184 821 3HG2 VAL 99 3HG2 VAL 99 1.710 -9.802 -4.025 822 H ASN 100 H ASN 100 -1.160 -6.318 -5.847 823 HA ASN 100 HA ASN 100 -3.871 -6.466 -5.115 824 1HB ASN 100 2HB ASN 100 -4.152 -4.456 -6.578 825 2HB ASN 100 1HB ASN 100 -2.844 -4.311 -5.407 826 1HD2 ASN 100 1HD2 ASN 100 -3.485 -5.232 -8.765 827 2HD2 ASN 100 2HD2 ASN 100 -1.994 -4.627 -9.396 828 H GLU 101 H GLU 101 -2.218 -7.829 -7.767 829 HA GLU 101 HA GLU 101 -4.548 -7.935 -9.487 830 1HB GLU 101 2HB GLU 101 -1.927 -7.862 -10.069 831 2HB GLU 101 1HB GLU 101 -2.166 -9.604 -10.072 832 1HG GLU 101 2HG GLU 101 -4.280 -8.771 -11.560 833 2HG GLU 101 1HG GLU 101 -3.058 -7.571 -11.979 834 H ALA 102 H ALA 102 -3.143 -9.820 -6.993 835 HA ALA 102 HA ALA 102 -3.911 -12.403 -7.764 836 1HB ALA 102 1HB ALA 102 -2.374 -12.164 -5.974 837 2HB ALA 102 2HB ALA 102 -3.832 -12.894 -5.298 838 3HB ALA 102 3HB ALA 102 -3.505 -11.180 -5.045 839 H LEU 103 H LEU 103 -5.482 -10.914 -4.961 840 HA LEU 103 HA LEU 103 -8.055 -11.823 -6.060 841 1HB LEU 103 2HB LEU 103 -8.742 -11.707 -3.555 842 2HB LEU 103 1HB LEU 103 -7.861 -13.089 -4.167 843 HG LEU 103 HG LEU 103 -7.108 -12.262 -1.932 844 1HD1 LEU 103 1HD1 LEU 103 -4.672 -11.864 -3.434 845 2HD1 LEU 103 2HD1 LEU 103 -5.619 -13.208 -4.070 846 3HD1 LEU 103 3HD1 LEU 103 -5.144 -13.191 -2.372 847 1HD2 LEU 103 1HD2 LEU 103 -6.194 -10.210 -1.583 848 2HD2 LEU 103 2HD2 LEU 103 -7.351 -9.795 -2.844 849 3HD2 LEU 103 3HD2 LEU 103 -5.653 -10.037 -3.252 850 H VAL 104 H VAL 104 -6.321 -9.098 -4.821 851 HA VAL 104 HA VAL 104 -8.441 -7.446 -4.051 852 HB VAL 104 HB VAL 104 -5.827 -6.617 -5.323 853 1HG1 VAL 104 1HG1 VAL 104 -6.186 -4.456 -4.322 854 2HG1 VAL 104 2HG1 VAL 104 -7.687 -5.007 -3.581 855 3HG1 VAL 104 3HG1 VAL 104 -7.573 -4.856 -5.334 856 1HG2 VAL 104 1HG2 VAL 104 -5.744 -8.048 -3.224 857 2HG2 VAL 104 2HG2 VAL 104 -6.477 -6.677 -2.392 858 3HG2 VAL 104 3HG2 VAL 104 -4.902 -6.500 -3.164 859 H ARG 105 H ARG 105 -7.203 -8.277 -7.207 860 HA ARG 105 HA ARG 105 -8.981 -6.338 -8.493 861 1HB ARG 105 2HB ARG 105 -6.494 -6.761 -9.140 862 2HB ARG 105 1HB ARG 105 -7.124 -8.178 -9.966 863 1HG ARG 105 2HG ARG 105 -8.423 -6.865 -11.433 864 2HG ARG 105 1HG ARG 105 -8.182 -5.411 -10.462 865 1HD ARG 105 2HD ARG 105 -6.439 -4.907 -11.742 866 2HD ARG 105 1HD ARG 105 -5.616 -6.336 -11.121 867 HE ARG 105 HE ARG 105 -6.027 -7.405 -13.108 868 1HH1 ARG 105 1HH1 ARG 105 -7.967 -4.506 -12.946 869 2HH1 ARG 105 2HH1 ARG 105 -8.484 -4.611 -14.596 870 1HH2 ARG 105 1HH2 ARG 105 -6.710 -7.546 -15.276 871 2HH2 ARG 105 2HH2 ARG 105 -7.771 -6.337 -15.918 872 H GLN 106 H GLN 106 -8.844 -9.634 -7.641 873 HA GLN 106 HA GLN 106 -10.558 -10.566 -9.769 874 1HB GLN 106 2HB GLN 106 -8.730 -11.835 -8.281 875 2HB GLN 106 1HB GLN 106 -10.157 -12.193 -7.318 876 1HG GLN 106 2HG GLN 106 -11.194 -13.337 -9.093 877 2HG GLN 106 1HG GLN 106 -10.043 -12.709 -10.271 878 1HE2 GLN 106 1HE2 GLN 106 -10.769 -15.205 -8.093 879 2HE2 GLN 106 2HE2 GLN 106 -9.306 -16.106 -8.262 880 H GLY 107 H GLY 107 -10.938 -9.312 -6.548 881 1HA GLY 107 2HA GLY 107 -13.024 -8.466 -5.778 882 2HA GLY 107 1HA GLY 107 -13.843 -9.577 -6.865 883 H LEU 108 H LEU 108 -11.350 -10.110 -4.381 884 HA LEU 108 HA LEU 108 -13.253 -11.604 -2.767 885 1HB LEU 108 2HB LEU 108 -12.303 -13.205 -4.421 886 2HB LEU 108 1HB LEU 108 -10.711 -12.886 -3.759 887 HG LEU 108 HG LEU 108 -12.618 -13.671 -1.701 888 1HD1 LEU 108 1HD1 LEU 108 -13.327 -15.693 -2.401 889 2HD1 LEU 108 2HD1 LEU 108 -11.894 -15.975 -3.390 890 3HD1 LEU 108 3HD1 LEU 108 -13.191 -14.943 -3.992 891 1HD2 LEU 108 1HD2 LEU 108 -10.064 -13.550 -1.649 892 2HD2 LEU 108 2HD2 LEU 108 -10.100 -15.078 -2.529 893 3HD2 LEU 108 3HD2 LEU 108 -10.831 -14.966 -0.927 894 H ALA 109 H ALA 109 -10.968 -9.324 -2.822 895 HA ALA 109 HA ALA 109 -10.607 -9.166 -0.080 896 1HB ALA 109 1HB ALA 109 -8.733 -10.985 -1.390 897 2HB ALA 109 2HB ALA 109 -9.131 -10.801 0.319 898 3HB ALA 109 3HB ALA 109 -7.949 -9.727 -0.432 899 H LYS 110 H LYS 110 -11.032 -7.011 -0.700 900 HA LYS 110 HA LYS 110 -8.847 -5.630 -2.099 901 1HB LYS 110 2HB LYS 110 -11.768 -5.225 -1.943 902 2HB LYS 110 1HB LYS 110 -10.804 -3.756 -1.889 903 1HG LYS 110 2HG LYS 110 -9.635 -5.053 -3.958 904 2HG LYS 110 1HG LYS 110 -11.303 -5.609 -4.108 905 1HD LYS 110 2HD LYS 110 -11.473 -2.862 -3.594 906 2HD LYS 110 1HD LYS 110 -10.159 -3.043 -4.759 907 1HE LYS 110 2HE LYS 110 -12.022 -4.716 -5.806 908 2HE LYS 110 1HE LYS 110 -13.049 -3.483 -5.074 909 1HZ LYS 110 1HZ LYS 110 -11.272 -3.294 -7.358 910 2HZ LYS 110 2HZ LYS 110 -11.236 -1.968 -6.309 911 3HZ LYS 110 3HZ LYS 110 -12.695 -2.445 -7.019 Start of MODEL 12 1 1H ALA 1 1HT ALA 1 21.066 13.563 -26.312 2 2H ALA 1 2HT ALA 1 22.025 14.870 -26.876 3 3H ALA 1 3HT ALA 1 20.537 15.176 -26.074 4 HA ALA 1 HA ALA 1 22.709 13.717 -24.771 5 1HB ALA 1 1HB ALA 1 23.136 16.070 -23.723 6 2HB ALA 1 2HB ALA 1 22.456 16.652 -25.242 7 3HB ALA 1 3HB ALA 1 23.892 15.631 -25.254 8 H THR 2 H THR 2 19.828 13.416 -24.724 9 HA THR 2 HA THR 2 19.218 14.443 -22.032 10 HB THR 2 HB THR 2 17.304 13.512 -24.182 11 HG1 THR 2 1HG THR 2 18.066 16.087 -23.293 12 1HG2 THR 2 1HG2 THR 2 15.553 13.880 -22.818 13 2HG2 THR 2 2HG2 THR 2 16.376 15.156 -21.919 14 3HG2 THR 2 3HG2 THR 2 16.733 13.464 -21.575 15 H SER 3 H SER 3 20.090 12.841 -20.776 16 HA SER 3 HA SER 3 19.413 10.062 -21.314 17 1HB SER 3 2HB SER 3 20.869 9.643 -19.283 18 2HB SER 3 1HB SER 3 21.683 10.413 -20.645 19 HG SER 3 HG SER 3 20.611 11.782 -18.401 20 H THR 4 H THR 4 17.631 9.175 -20.523 21 HA THR 4 HA THR 4 16.027 10.503 -18.561 22 HB THR 4 HB THR 4 14.489 8.641 -18.831 23 HG1 THR 4 1HG THR 4 15.056 6.813 -19.935 24 1HG2 THR 4 1HG2 THR 4 14.013 8.727 -21.155 25 2HG2 THR 4 2HG2 THR 4 15.669 9.202 -21.536 26 3HG2 THR 4 3HG2 THR 4 14.608 10.315 -20.672 27 H LYS 5 H LYS 5 16.021 10.252 -16.420 28 HA LYS 5 HA LYS 5 17.985 8.648 -15.133 29 1HB LYS 5 2HB LYS 5 15.590 10.036 -13.916 30 2HB LYS 5 1HB LYS 5 17.009 9.461 -13.051 31 1HG LYS 5 2HG LYS 5 17.475 11.371 -15.260 32 2HG LYS 5 1HG LYS 5 16.697 11.995 -13.804 33 1HD LYS 5 2HD LYS 5 18.797 12.247 -13.046 34 2HD LYS 5 1HD LYS 5 18.720 10.510 -12.747 35 1HE LYS 5 2HE LYS 5 19.474 11.287 -15.483 36 2HE LYS 5 1HE LYS 5 20.635 11.724 -14.230 37 1HZ LYS 5 1HZ LYS 5 20.026 9.188 -13.578 38 2HZ LYS 5 2HZ LYS 5 21.360 9.642 -14.514 39 3HZ LYS 5 3HZ LYS 5 19.937 9.123 -15.266 40 H LYS 6 H LYS 6 17.817 6.714 -14.093 41 HA LYS 6 HA LYS 6 15.310 5.246 -14.504 42 1HB LYS 6 2HB LYS 6 17.728 4.482 -15.299 43 2HB LYS 6 1HB LYS 6 17.811 3.869 -13.653 44 1HG LYS 6 2HG LYS 6 15.413 2.903 -14.373 45 2HG LYS 6 1HG LYS 6 16.212 2.939 -15.946 46 1HD LYS 6 2HD LYS 6 17.466 1.705 -13.505 47 2HD LYS 6 1HD LYS 6 16.445 0.794 -14.620 48 1HE LYS 6 2HE LYS 6 18.020 0.754 -16.240 49 2HE LYS 6 1HE LYS 6 18.607 2.371 -15.853 50 1HZ LYS 6 1HZ LYS 6 20.360 1.185 -15.107 51 2HZ LYS 6 2HZ LYS 6 19.455 -0.211 -14.810 52 3HZ LYS 6 3HZ LYS 6 19.420 1.067 -13.705 53 H LEU 7 H LEU 7 14.208 4.325 -12.889 54 HA LEU 7 HA LEU 7 14.719 5.295 -10.238 55 1HB LEU 7 2HB LEU 7 12.598 3.375 -11.194 56 2HB LEU 7 1HB LEU 7 12.620 4.200 -9.651 57 HG LEU 7 HG LEU 7 11.058 5.385 -10.930 58 1HD1 LEU 7 1HD1 LEU 7 12.391 6.997 -9.864 59 2HD1 LEU 7 2HD1 LEU 7 12.218 7.564 -11.523 60 3HD1 LEU 7 3HD1 LEU 7 13.713 6.783 -11.009 61 1HD2 LEU 7 1HD2 LEU 7 11.047 5.621 -13.164 62 2HD2 LEU 7 2HD2 LEU 7 12.219 4.304 -13.102 63 3HD2 LEU 7 3HD2 LEU 7 12.772 5.973 -13.245 64 H HIS 8 H HIS 8 16.139 4.366 -8.948 65 HA HIS 8 HA HIS 8 17.096 1.713 -9.306 66 1HB HIS 8 2HB HIS 8 18.302 3.735 -8.249 67 2HB HIS 8 1HB HIS 8 17.432 3.314 -6.780 68 HD1 HIS 8 1HD HIS 8 19.330 2.453 -5.382 69 HD2 HIS 8 2HD HIS 8 19.174 0.677 -9.135 70 HE1 HIS 8 1HE HIS 8 21.018 0.590 -5.315 71 HE2 HIS 8 2HE HIS 8 20.832 -0.533 -7.561 72 H LYS 9 H LYS 9 16.909 -0.065 -7.852 73 HA LYS 9 HA LYS 9 14.326 -0.106 -6.449 74 1HB LYS 9 2HB LYS 9 15.931 -2.219 -7.845 75 2HB LYS 9 1HB LYS 9 14.757 -2.672 -6.617 76 1HG LYS 9 2HG LYS 9 13.196 -1.098 -8.072 77 2HG LYS 9 1HG LYS 9 14.338 -1.565 -9.332 78 1HD LYS 9 2HD LYS 9 13.569 -3.862 -7.781 79 2HD LYS 9 1HD LYS 9 12.138 -3.027 -8.387 80 1HE LYS 9 2HE LYS 9 12.533 -4.308 -10.209 81 2HE LYS 9 1HE LYS 9 13.634 -2.990 -10.605 82 1HZ LYS 9 1HZ LYS 9 15.376 -4.338 -9.389 83 2HZ LYS 9 2HZ LYS 9 14.866 -4.943 -10.884 84 3HZ LYS 9 3HZ LYS 9 14.290 -5.635 -9.451 85 H GLU 10 H GLU 10 14.609 0.318 -4.353 86 HA GLU 10 HA GLU 10 16.858 -0.967 -2.955 87 1HB GLU 10 2HB GLU 10 15.266 1.492 -2.208 88 2HB GLU 10 1HB GLU 10 16.519 0.772 -1.208 89 1HG GLU 10 2HG GLU 10 18.041 1.103 -3.254 90 2HG GLU 10 1HG GLU 10 16.787 2.207 -3.817 91 HA PRO 11 HA PRO 11 13.877 -3.695 -1.085 92 1HB PRO 11 2HB PRO 11 15.849 -3.757 1.139 93 2HB PRO 11 1HB PRO 11 15.130 -5.093 0.235 94 1HG PRO 11 2HG PRO 11 17.654 -4.355 -0.195 95 2HG PRO 11 1HG PRO 11 16.610 -4.864 -1.535 96 1HD PRO 11 2HD PRO 11 17.461 -2.116 -0.729 97 2HD PRO 11 1HD PRO 11 17.230 -2.797 -2.353 98 H ALA 12 H ALA 12 12.101 -2.940 -0.170 99 HA ALA 12 HA ALA 12 12.248 -1.593 2.408 100 1HB ALA 12 1HB ALA 12 10.804 0.228 1.751 101 2HB ALA 12 2HB ALA 12 10.701 -0.403 0.108 102 3HB ALA 12 3HB ALA 12 12.235 0.216 0.720 103 H THR 13 H THR 13 11.085 -2.987 3.601 104 HA THR 13 HA THR 13 8.509 -3.904 2.502 105 HB THR 13 HB THR 13 10.049 -5.765 2.783 106 HG1 THR 13 1HG THR 13 7.782 -5.974 3.413 107 1HG2 THR 13 1HG2 THR 13 11.006 -4.421 5.005 108 2HG2 THR 13 2HG2 THR 13 11.447 -6.044 4.475 109 3HG2 THR 13 3HG2 THR 13 10.164 -5.824 5.664 110 H LEU 14 H LEU 14 6.843 -4.377 4.166 111 HA LEU 14 HA LEU 14 6.933 -2.332 6.278 112 1HB LEU 14 2HB LEU 14 4.497 -2.396 6.241 113 2HB LEU 14 1HB LEU 14 5.147 -2.034 4.654 114 HG LEU 14 HG LEU 14 4.851 -4.799 4.640 115 1HD1 LEU 14 1HD1 LEU 14 2.287 -3.649 5.683 116 2HD1 LEU 14 2HD1 LEU 14 3.481 -4.373 6.761 117 3HD1 LEU 14 3HD1 LEU 14 2.745 -5.340 5.482 118 1HD2 LEU 14 1HD2 LEU 14 3.606 -4.386 2.795 119 2HD2 LEU 14 2HD2 LEU 14 4.258 -2.761 3.015 120 3HD2 LEU 14 3HD2 LEU 14 2.636 -3.146 3.590 121 H ILE 15 H ILE 15 6.388 -2.828 8.386 122 HA ILE 15 HA ILE 15 7.039 -5.398 9.319 123 HB ILE 15 HB ILE 15 5.464 -3.304 10.818 124 1HG1 ILE 15 2HG1 ILE 15 7.481 -2.285 9.930 125 2HG1 ILE 15 1HG1 ILE 15 7.674 -2.545 11.660 126 1HG2 ILE 15 1HG2 ILE 15 7.363 -5.351 11.930 127 2HG2 ILE 15 2HG2 ILE 15 5.636 -5.657 11.743 128 3HG2 ILE 15 3HG2 ILE 15 6.192 -4.356 12.796 129 1HD1 ILE 15 1HD1 ILE 15 8.789 -4.786 10.854 130 2HD1 ILE 15 2HD1 ILE 15 9.693 -3.272 10.913 131 3HD1 ILE 15 3HD1 ILE 15 9.043 -3.853 9.379 132 H LYS 16 H LYS 16 3.871 -3.748 9.407 133 HA LYS 16 HA LYS 16 2.446 -6.056 8.566 134 1HB LYS 16 2HB LYS 16 1.157 -6.293 10.760 135 2HB LYS 16 1HB LYS 16 2.775 -6.978 10.706 136 1HG LYS 16 2HG LYS 16 3.557 -5.583 12.275 137 2HG LYS 16 1HG LYS 16 2.662 -4.201 11.638 138 1HD LYS 16 2HD LYS 16 0.591 -5.468 12.601 139 2HD LYS 16 1HD LYS 16 1.795 -6.293 13.590 140 1HE LYS 16 2HE LYS 16 1.951 -3.337 13.439 141 2HE LYS 16 1HE LYS 16 0.610 -4.028 14.352 142 1HZ LYS 16 1HZ LYS 16 2.332 -3.746 15.887 143 2HZ LYS 16 2HZ LYS 16 3.510 -4.353 14.835 144 3HZ LYS 16 3HZ LYS 16 2.369 -5.397 15.520 145 H ALA 17 H ALA 17 0.476 -5.484 7.812 146 HA ALA 17 HA ALA 17 -0.449 -2.757 8.440 147 1HB ALA 17 1HB ALA 17 0.322 -3.506 6.033 148 2HB ALA 17 2HB ALA 17 -1.050 -2.423 6.260 149 3HB ALA 17 3HB ALA 17 -1.321 -4.139 5.955 150 H ILE 18 H ILE 18 -2.524 -2.438 9.077 151 HA ILE 18 HA ILE 18 -3.977 -4.523 10.229 152 HB ILE 18 HB ILE 18 -4.275 -2.182 10.887 153 1HG1 ILE 18 2HG1 ILE 18 -6.971 -2.995 9.886 154 2HG1 ILE 18 1HG1 ILE 18 -6.128 -4.065 11.001 155 1HG2 ILE 18 1HG2 ILE 18 -5.293 -0.553 9.561 156 2HG2 ILE 18 2HG2 ILE 18 -5.916 -1.742 8.416 157 3HG2 ILE 18 3HG2 ILE 18 -4.191 -1.379 8.460 158 1HD1 ILE 18 1HD1 ILE 18 -7.738 -2.428 12.025 159 2HD1 ILE 18 2HD1 ILE 18 -6.599 -1.157 11.577 160 3HD1 ILE 18 3HD1 ILE 18 -6.107 -2.428 12.698 161 H ASP 19 H ASP 19 -4.434 -2.870 7.128 162 HA ASP 19 HA ASP 19 -5.145 -4.972 5.581 163 1HB ASP 19 2HB ASP 19 -7.734 -4.664 5.546 164 2HB ASP 19 1HB ASP 19 -7.009 -5.666 6.799 165 H GLY 20 H GLY 20 -7.762 -2.791 5.289 166 1HA GLY 20 2HA GLY 20 -6.403 -1.494 3.058 167 2HA GLY 20 1HA GLY 20 -8.132 -1.488 3.367 168 H ASP 21 H ASP 21 -7.086 -0.830 6.299 169 HA ASP 21 HA ASP 21 -7.663 1.944 6.110 170 1HB ASP 21 2HB ASP 21 -6.838 0.100 8.318 171 2HB ASP 21 1HB ASP 21 -6.796 1.840 8.586 172 H THR 22 H THR 22 -4.797 0.694 7.786 173 HA THR 22 HA THR 22 -3.149 2.566 6.227 174 HB THR 22 HB THR 22 -3.054 2.188 9.225 175 HG1 THR 22 1HG THR 22 -3.744 4.343 9.256 176 1HG2 THR 22 1HG2 THR 22 -0.826 2.608 8.342 177 2HG2 THR 22 2HG2 THR 22 -1.431 3.995 9.248 178 3HG2 THR 22 3HG2 THR 22 -1.428 4.027 7.485 179 H VAL 23 H VAL 23 -0.869 2.095 6.231 180 HA VAL 23 HA VAL 23 -0.047 -0.548 7.126 181 HB VAL 23 HB VAL 23 -0.917 -1.016 4.903 182 1HG1 VAL 23 1HG1 VAL 23 -0.739 0.368 3.176 183 2HG1 VAL 23 2HG1 VAL 23 1.016 0.449 3.335 184 3HG1 VAL 23 3HG1 VAL 23 -0.008 1.534 4.278 185 1HG2 VAL 23 1HG2 VAL 23 1.952 -1.071 4.268 186 2HG2 VAL 23 2HG2 VAL 23 0.780 -2.386 4.354 187 3HG2 VAL 23 3HG2 VAL 23 1.516 -1.763 5.830 188 H LYS 24 H LYS 24 1.668 0.009 8.314 189 HA LYS 24 HA LYS 24 3.356 2.234 7.576 190 1HB LYS 24 2HB LYS 24 2.621 1.305 9.966 191 2HB LYS 24 1HB LYS 24 4.111 0.390 9.783 192 1HG LYS 24 2HG LYS 24 5.423 2.332 9.697 193 2HG LYS 24 1HG LYS 24 4.022 3.366 9.412 194 1HD LYS 24 2HD LYS 24 3.840 1.823 11.885 195 2HD LYS 24 1HD LYS 24 5.226 2.916 11.845 196 1HE LYS 24 2HE LYS 24 2.882 4.235 10.823 197 2HE LYS 24 1HE LYS 24 2.552 3.549 12.414 198 1HZ LYS 24 1HZ LYS 24 5.075 4.964 12.139 199 2HZ LYS 24 2HZ LYS 24 3.962 4.969 13.413 200 3HZ LYS 24 3HZ LYS 24 3.683 5.922 12.045 201 H LEU 25 H LEU 25 4.850 1.989 6.061 202 HA LEU 25 HA LEU 25 6.111 -0.599 5.629 203 1HB LEU 25 2HB LEU 25 5.827 1.915 4.097 204 2HB LEU 25 1HB LEU 25 7.321 1.029 3.846 205 HG LEU 25 HG LEU 25 4.693 -0.390 3.622 206 1HD1 LEU 25 1HD1 LEU 25 5.851 1.589 1.730 207 2HD1 LEU 25 2HD1 LEU 25 4.165 1.231 2.100 208 3HD1 LEU 25 3HD1 LEU 25 5.094 0.137 1.075 209 1HD2 LEU 25 1HD2 LEU 25 7.334 -0.758 2.215 210 2HD2 LEU 25 2HD2 LEU 25 5.934 -1.827 2.137 211 3HD2 LEU 25 3HD2 LEU 25 6.823 -1.647 3.649 212 H MET 26 H MET 26 8.484 -0.716 5.360 213 HA MET 26 HA MET 26 9.809 0.932 7.404 214 1HB MET 26 2HB MET 26 9.696 -1.618 7.622 215 2HB MET 26 1HB MET 26 10.851 -1.669 6.299 216 1HG MET 26 2HG MET 26 12.564 -0.976 7.584 217 2HG MET 26 1HG MET 26 11.550 0.096 8.550 218 1HE MET 26 1HE MET 26 12.998 -4.008 9.088 219 2HE MET 26 2HE MET 26 12.458 -3.301 7.565 220 3HE MET 26 3HE MET 26 11.352 -4.290 8.518 221 H TYR 27 H TYR 27 10.857 2.592 6.524 222 HA TYR 27 HA TYR 27 12.545 2.068 4.167 223 1HB TYR 27 2HB TYR 27 10.584 3.432 3.545 224 2HB TYR 27 1HB TYR 27 11.034 4.621 4.764 225 HD1 TYR 27 1HD TYR 27 11.590 6.543 3.575 226 HD2 TYR 27 2HD TYR 27 13.166 2.800 2.306 227 HE1 TYR 27 1HE TYR 27 12.998 7.701 1.924 228 HE2 TYR 27 2HE TYR 27 14.577 3.948 0.653 229 HH TYR 27 HH TYR 27 14.689 6.027 -0.548 230 H LYS 28 H LYS 28 14.409 1.770 5.349 231 HA LYS 28 HA LYS 28 16.205 2.260 6.673 232 1HB LYS 28 2HB LYS 28 17.324 4.319 6.098 233 2HB LYS 28 1HB LYS 28 16.590 3.639 4.654 234 1HG LYS 28 2HG LYS 28 14.976 5.287 4.534 235 2HG LYS 28 1HG LYS 28 15.131 5.705 6.241 236 1HD LYS 28 2HD LYS 28 16.676 7.246 5.796 237 2HD LYS 28 1HD LYS 28 17.630 6.098 4.855 238 1HE LYS 28 2HE LYS 28 15.583 6.595 3.148 239 2HE LYS 28 1HE LYS 28 15.716 8.148 3.971 240 1HZ LYS 28 1HZ LYS 28 18.006 6.741 2.714 241 2HZ LYS 28 2HZ LYS 28 17.992 8.313 3.337 242 3HZ LYS 28 3HZ LYS 28 17.103 7.947 1.945 243 H GLY 29 H GLY 29 13.844 2.369 8.152 244 1HA GLY 29 2HA GLY 29 13.438 2.917 10.384 245 2HA GLY 29 1HA GLY 29 14.697 4.139 10.289 246 H GLN 30 H GLN 30 12.176 4.025 7.897 247 HA GLN 30 HA GLN 30 10.900 6.357 9.165 248 1HB GLN 30 2HB GLN 30 12.312 6.998 7.224 249 2HB GLN 30 1HB GLN 30 11.338 5.951 6.203 250 1HG GLN 30 2HG GLN 30 10.330 7.939 5.782 251 2HG GLN 30 1HG GLN 30 9.371 7.413 7.164 252 1HE2 GLN 30 1HE2 GLN 30 9.205 8.748 8.828 253 2HE2 GLN 30 2HE2 GLN 30 10.197 10.134 9.112 254 HA PRO 31 HA PRO 31 7.395 3.561 8.728 255 1HB PRO 31 2HB PRO 31 5.610 5.102 10.062 256 2HB PRO 31 1HB PRO 31 6.830 4.122 10.887 257 1HG PRO 31 2HG PRO 31 6.859 7.051 10.261 258 2HG PRO 31 1HG PRO 31 7.335 6.221 11.754 259 1HD PRO 31 2HD PRO 31 9.138 7.074 9.919 260 2HD PRO 31 1HD PRO 31 9.399 5.630 10.917 261 H MET 32 H MET 32 7.419 4.024 6.401 262 HA MET 32 HA MET 32 5.914 6.281 5.428 263 1HB MET 32 2HB MET 32 7.373 3.988 4.193 264 2HB MET 32 1HB MET 32 6.170 4.834 3.228 265 1HG MET 32 2HG MET 32 7.596 6.908 4.255 266 2HG MET 32 1HG MET 32 8.841 5.672 4.076 267 1HE MET 32 1HE MET 32 8.367 4.774 0.239 268 2HE MET 32 2HE MET 32 7.621 4.023 1.650 269 3HE MET 32 3HE MET 32 9.335 4.433 1.674 270 H THR 33 H THR 33 3.780 6.360 5.203 271 HA THR 33 HA THR 33 2.281 3.827 5.208 272 HB THR 33 HB THR 33 1.799 5.277 7.125 273 HG1 THR 33 1HG THR 33 0.091 4.047 6.161 274 1HG2 THR 33 1HG2 THR 33 1.409 7.329 5.029 275 2HG2 THR 33 2HG2 THR 33 2.071 7.475 6.658 276 3HG2 THR 33 3HG2 THR 33 0.327 7.354 6.422 277 H PHE 34 H PHE 34 0.570 3.535 3.759 278 HA PHE 34 HA PHE 34 0.855 5.045 1.296 279 1HB PHE 34 2HB PHE 34 -0.135 3.258 0.202 280 2HB PHE 34 1HB PHE 34 0.658 2.451 1.548 281 HD1 PHE 34 1HD PHE 34 -1.289 3.101 3.726 282 HD2 PHE 34 2HD PHE 34 -1.888 1.813 -0.288 283 HE1 PHE 34 1HE PHE 34 -3.439 2.092 4.372 284 HE2 PHE 34 2HE PHE 34 -4.038 0.804 0.353 285 HZ PHE 34 HZ PHE 34 -4.816 0.943 2.686 286 H ARG 35 H ARG 35 -1.597 4.939 0.147 287 HA ARG 35 HA ARG 35 -2.889 7.202 0.961 288 1HB ARG 35 2HB ARG 35 -4.886 6.338 -0.262 289 2HB ARG 35 1HB ARG 35 -3.386 6.214 -1.170 290 1HG ARG 35 2HG ARG 35 -3.240 3.827 -0.453 291 2HG ARG 35 1HG ARG 35 -4.854 4.001 0.242 292 1HD ARG 35 2HD ARG 35 -5.241 4.990 -2.258 293 2HD ARG 35 1HD ARG 35 -4.014 3.762 -2.563 294 HE ARG 35 HE ARG 35 -5.854 2.486 -1.020 295 1HH1 ARG 35 1HH1 ARG 35 -6.006 4.271 -4.014 296 2HH1 ARG 35 2HH1 ARG 35 -7.349 3.368 -4.630 297 1HH2 ARG 35 1HH2 ARG 35 -7.620 1.296 -1.827 298 2HH2 ARG 35 2HH2 ARG 35 -8.266 1.679 -3.388 299 H LEU 36 H LEU 36 -4.730 7.689 2.181 300 HA LEU 36 HA LEU 36 -5.125 5.936 4.465 301 1HB LEU 36 2HB LEU 36 -6.699 8.419 4.300 302 2HB LEU 36 1HB LEU 36 -5.752 7.771 5.626 303 HG LEU 36 HG LEU 36 -3.760 8.514 3.962 304 1HD1 LEU 36 1HD1 LEU 36 -4.770 10.978 3.437 305 2HD1 LEU 36 2HD1 LEU 36 -6.164 9.952 3.100 306 3HD1 LEU 36 3HD1 LEU 36 -4.641 9.674 2.257 307 1HD2 LEU 36 1HD2 LEU 36 -4.070 10.808 5.315 308 2HD2 LEU 36 2HD2 LEU 36 -3.472 9.322 6.053 309 3HD2 LEU 36 3HD2 LEU 36 -5.168 9.775 6.230 310 H LEU 37 H LEU 37 -7.464 5.879 5.335 311 HA LEU 37 HA LEU 37 -9.133 4.834 3.179 312 1HB LEU 37 2HB LEU 37 -10.383 3.700 4.873 313 2HB LEU 37 1HB LEU 37 -8.678 3.452 5.193 314 HG LEU 37 HG LEU 37 -10.065 5.685 6.600 315 1HD1 LEU 37 1HD1 LEU 37 -10.120 3.095 7.984 316 2HD1 LEU 37 2HD1 LEU 37 -11.266 3.264 6.654 317 3HD1 LEU 37 3HD1 LEU 37 -11.290 4.416 7.988 318 1HD2 LEU 37 1HD2 LEU 37 -7.906 5.711 7.273 319 2HD2 LEU 37 2HD2 LEU 37 -7.659 4.000 6.922 320 3HD2 LEU 37 3HD2 LEU 37 -8.488 4.487 8.400 321 H LEU 38 H LEU 38 -11.409 5.338 3.079 322 HA LEU 38 HA LEU 38 -11.916 8.123 3.262 323 1HB LEU 38 2HB LEU 38 -13.616 5.737 2.600 324 2HB LEU 38 1HB LEU 38 -14.320 7.337 2.734 325 HG LEU 38 HG LEU 38 -11.980 6.905 0.920 326 1HD1 LEU 38 1HD1 LEU 38 -13.709 5.145 0.457 327 2HD1 LEU 38 2HD1 LEU 38 -13.373 6.242 -0.882 328 3HD1 LEU 38 3HD1 LEU 38 -14.833 6.452 0.082 329 1HD2 LEU 38 1HD2 LEU 38 -14.274 8.623 0.229 330 2HD2 LEU 38 2HD2 LEU 38 -12.542 8.910 0.050 331 3HD2 LEU 38 3HD2 LEU 38 -13.316 9.129 1.620 332 H VAL 39 H VAL 39 -14.282 8.671 4.213 333 HA VAL 39 HA VAL 39 -13.964 8.398 7.063 334 HB VAL 39 HB VAL 39 -16.237 9.726 5.584 335 1HG1 VAL 39 1HG1 VAL 39 -15.181 9.967 8.395 336 2HG1 VAL 39 2HG1 VAL 39 -16.767 9.387 7.886 337 3HG1 VAL 39 3HG1 VAL 39 -16.344 11.086 7.681 338 1HG2 VAL 39 1HG2 VAL 39 -13.937 10.545 4.934 339 2HG2 VAL 39 2HG2 VAL 39 -13.748 11.075 6.605 340 3HG2 VAL 39 3HG2 VAL 39 -15.024 11.762 5.601 341 H ASP 40 H ASP 40 -15.198 7.243 8.465 342 HA ASP 40 HA ASP 40 -17.021 5.282 7.279 343 1HB ASP 40 2HB ASP 40 -15.000 4.837 8.973 344 2HB ASP 40 1HB ASP 40 -16.268 5.146 10.156 345 H THR 41 H THR 41 -18.947 6.344 7.067 346 HA THR 41 HA THR 41 -20.183 7.290 9.570 347 HB THR 41 HB THR 41 -21.543 8.827 8.076 348 HG1 THR 41 1HG THR 41 -21.102 7.916 6.081 349 1HG2 THR 41 1HG2 THR 41 -18.885 9.848 7.578 350 2HG2 THR 41 2HG2 THR 41 -19.078 9.257 9.229 351 3HG2 THR 41 3HG2 THR 41 -20.174 10.486 8.599 352 HA PRO 42 HA PRO 42 -23.475 4.442 8.927 353 1HB PRO 42 2HB PRO 42 -25.660 5.926 9.642 354 2HB PRO 42 1HB PRO 42 -24.530 5.220 10.801 355 1HG PRO 42 2HG PRO 42 -24.662 8.017 9.747 356 2HG PRO 42 1HG PRO 42 -24.372 7.458 11.406 357 1HD PRO 42 2HD PRO 42 -22.365 8.279 9.815 358 2HD PRO 42 1HD PRO 42 -22.152 6.959 10.985 359 H GLU 43 H GLU 43 -23.382 7.414 7.205 360 HA GLU 43 HA GLU 43 -25.706 7.270 5.671 361 1HB GLU 43 2HB GLU 43 -23.172 8.700 5.569 362 2HB GLU 43 1HB GLU 43 -23.792 8.339 3.964 363 1HG GLU 43 2HG GLU 43 -26.021 9.256 5.245 364 2HG GLU 43 1HG GLU 43 -24.744 10.234 5.969 365 H THR 44 H THR 44 -22.722 5.490 5.443 366 HA THR 44 HA THR 44 -23.896 3.659 3.568 367 HB THR 44 HB THR 44 -21.477 5.252 2.697 368 HG1 THR 44 1HG THR 44 -24.168 5.281 1.822 369 1HG2 THR 44 1HG2 THR 44 -22.708 2.791 1.678 370 2HG2 THR 44 2HG2 THR 44 -21.066 3.408 1.495 371 3HG2 THR 44 3HG2 THR 44 -22.362 4.030 0.472 372 H LYS 45 H LYS 45 -23.465 2.386 5.490 373 HA LYS 45 HA LYS 45 -20.772 1.915 6.336 374 1HB LYS 45 2HB LYS 45 -23.057 1.585 7.608 375 2HB LYS 45 1HB LYS 45 -22.982 -0.020 6.896 376 1HG LYS 45 2HG LYS 45 -20.505 0.126 7.906 377 2HG LYS 45 1HG LYS 45 -21.352 1.183 9.037 378 1HD LYS 45 2HD LYS 45 -22.765 -1.313 8.430 379 2HD LYS 45 1HD LYS 45 -21.209 -1.537 9.234 380 1HE LYS 45 2HE LYS 45 -21.894 -0.026 11.015 381 2HE LYS 45 1HE LYS 45 -23.431 0.261 10.201 382 1HZ LYS 45 1HZ LYS 45 -24.256 -1.705 10.880 383 2HZ LYS 45 2HZ LYS 45 -23.096 -1.562 12.102 384 3HZ LYS 45 3HZ LYS 45 -22.780 -2.518 10.744 385 H HIS 46 H HIS 46 -19.606 -0.068 6.145 386 HA HIS 46 HA HIS 46 -20.036 -1.358 3.555 387 1HB HIS 46 2HB HIS 46 -17.646 -1.507 5.398 388 2HB HIS 46 1HB HIS 46 -17.733 -2.132 3.755 389 HD1 HIS 46 1HD HIS 46 -15.587 -0.503 3.464 390 HD2 HIS 46 2HD HIS 46 -19.277 1.343 3.964 391 HE1 HIS 46 1HE HIS 46 -15.267 1.863 2.677 392 HE2 HIS 46 2HE HIS 46 -17.534 2.937 2.909 393 HA PRO 47 HA PRO 47 -21.686 -4.747 6.105 394 1HB PRO 47 2HB PRO 47 -22.928 -6.027 4.068 395 2HB PRO 47 1HB PRO 47 -23.628 -4.616 4.873 396 1HG PRO 47 2HG PRO 47 -22.132 -4.769 2.284 397 2HG PRO 47 1HG PRO 47 -23.610 -3.868 2.670 398 1HD PRO 47 2HD PRO 47 -21.167 -2.699 2.589 399 2HD PRO 47 1HD PRO 47 -22.451 -2.157 3.688 400 H LYS 48 H LYS 48 -20.252 -5.156 2.876 401 HA LYS 48 HA LYS 48 -18.513 -7.243 3.939 402 1HB LYS 48 2HB LYS 48 -20.131 -7.684 1.424 403 2HB LYS 48 1HB LYS 48 -19.041 -8.825 2.200 404 1HG LYS 48 2HG LYS 48 -20.688 -8.476 4.234 405 2HG LYS 48 1HG LYS 48 -21.802 -8.029 2.941 406 1HD LYS 48 2HD LYS 48 -21.597 -10.146 1.905 407 2HD LYS 48 1HD LYS 48 -20.195 -10.571 2.888 408 1HE LYS 48 2HE LYS 48 -22.800 -9.971 4.217 409 2HE LYS 48 1HE LYS 48 -22.555 -11.543 3.457 410 1HZ LYS 48 1HZ LYS 48 -21.968 -11.341 5.895 411 2HZ LYS 48 2HZ LYS 48 -20.627 -10.433 5.408 412 3HZ LYS 48 3HZ LYS 48 -20.794 -12.035 4.894 413 H LYS 49 H LYS 49 -19.453 -5.586 0.924 414 HA LYS 49 HA LYS 49 -16.626 -5.406 0.189 415 1HB LYS 49 2HB LYS 49 -19.113 -4.890 -1.446 416 2HB LYS 49 1HB LYS 49 -17.465 -4.764 -2.049 417 1HG LYS 49 2HG LYS 49 -17.116 -7.135 -1.646 418 2HG LYS 49 1HG LYS 49 -18.745 -7.275 -0.984 419 1HD LYS 49 2HD LYS 49 -19.538 -6.365 -3.243 420 2HD LYS 49 1HD LYS 49 -17.910 -6.729 -3.817 421 1HE LYS 49 2HE LYS 49 -18.344 -9.073 -2.801 422 2HE LYS 49 1HE LYS 49 -20.041 -8.600 -2.859 423 1HZ LYS 49 1HZ LYS 49 -20.099 -8.767 -5.085 424 2HZ LYS 49 2HZ LYS 49 -18.758 -9.777 -4.876 425 3HZ LYS 49 3HZ LYS 49 -18.536 -8.155 -5.297 426 H GLY 50 H GLY 50 -19.437 -3.526 0.933 427 1HA GLY 50 2HA GLY 50 -19.692 -1.359 1.613 428 2HA GLY 50 1HA GLY 50 -17.944 -1.237 1.696 429 H VAL 51 H VAL 51 -17.097 -1.489 -0.908 430 HA VAL 51 HA VAL 51 -18.753 0.451 -2.364 431 HB VAL 51 HB VAL 51 -17.052 1.842 -1.539 432 1HG1 VAL 51 1HG1 VAL 51 -14.704 0.424 -2.556 433 2HG1 VAL 51 2HG1 VAL 51 -15.538 -0.401 -1.240 434 3HG1 VAL 51 3HG1 VAL 51 -14.959 1.249 -1.019 435 1HG2 VAL 51 1HG2 VAL 51 -15.707 1.300 -4.113 436 2HG2 VAL 51 2HG2 VAL 51 -16.363 2.803 -3.465 437 3HG2 VAL 51 3HG2 VAL 51 -17.443 1.606 -4.180 438 H GLU 52 H GLU 52 -15.711 -1.359 -2.981 439 HA GLU 52 HA GLU 52 -17.012 -2.414 -5.408 440 1HB GLU 52 2HB GLU 52 -15.192 -0.674 -5.789 441 2HB GLU 52 1HB GLU 52 -14.053 -1.874 -5.202 442 1HG GLU 52 2HG GLU 52 -14.089 -1.894 -7.603 443 2HG GLU 52 1HG GLU 52 -14.771 -3.400 -6.990 444 H LYS 53 H LYS 53 -13.910 -3.070 -3.924 445 HA LYS 53 HA LYS 53 -14.646 -5.608 -2.834 446 1HB LYS 53 2HB LYS 53 -13.190 -5.425 -5.444 447 2HB LYS 53 1HB LYS 53 -12.784 -6.717 -4.325 448 1HG LYS 53 2HG LYS 53 -14.463 -7.888 -5.163 449 2HG LYS 53 1HG LYS 53 -15.576 -6.710 -4.468 450 1HD LYS 53 2HD LYS 53 -14.960 -5.360 -6.652 451 2HD LYS 53 1HD LYS 53 -14.577 -6.972 -7.262 452 1HE LYS 53 2HE LYS 53 -16.902 -7.615 -6.332 453 2HE LYS 53 1HE LYS 53 -17.205 -5.879 -6.327 454 1HZ LYS 53 1HZ LYS 53 -16.647 -7.635 -8.638 455 2HZ LYS 53 2HZ LYS 53 -16.465 -5.956 -8.739 456 3HZ LYS 53 3HZ LYS 53 -17.978 -6.622 -8.382 457 H TYR 54 H TYR 54 -12.877 -2.878 -2.806 458 HA TYR 54 HA TYR 54 -10.383 -3.908 -1.779 459 1HB TYR 54 2HB TYR 54 -10.403 -1.831 -3.099 460 2HB TYR 54 1HB TYR 54 -11.460 -1.083 -1.910 461 HD1 TYR 54 1HD TYR 54 -8.044 -2.307 -2.540 462 HD2 TYR 54 2HD TYR 54 -10.594 -0.220 0.151 463 HE1 TYR 54 1HE TYR 54 -6.075 -1.523 -1.291 464 HE2 TYR 54 2HE TYR 54 -8.635 0.569 1.407 465 HH TYR 54 HH TYR 54 -6.341 0.033 1.773 466 H GLY 55 H GLY 55 -13.383 -3.760 -0.583 467 1HA GLY 55 2HA GLY 55 -12.758 -2.755 2.061 468 2HA GLY 55 1HA GLY 55 -14.305 -3.402 1.507 469 HA PRO 56 HA PRO 56 -13.081 -7.344 3.168 470 1HB PRO 56 2HB PRO 56 -14.315 -9.088 1.563 471 2HB PRO 56 1HB PRO 56 -15.224 -7.913 2.519 472 1HG PRO 56 2HG PRO 56 -14.665 -7.953 -0.390 473 2HG PRO 56 1HG PRO 56 -16.039 -7.258 0.482 474 1HD PRO 56 2HD PRO 56 -13.725 -5.899 -0.491 475 2HD PRO 56 1HD PRO 56 -15.045 -5.220 0.475 476 H GLU 57 H GLU 57 -12.666 -7.506 -0.383 477 HA GLU 57 HA GLU 57 -10.858 -9.654 -0.362 478 1HB GLU 57 2HB GLU 57 -12.126 -8.005 -2.297 479 2HB GLU 57 1HB GLU 57 -10.406 -8.026 -2.660 480 1HG GLU 57 2HG GLU 57 -11.510 -9.783 -3.866 481 2HG GLU 57 1HG GLU 57 -10.456 -10.485 -2.639 482 H ALA 58 H ALA 58 -10.188 -6.175 -0.933 483 HA ALA 58 HA ALA 58 -7.468 -6.254 -1.176 484 1HB ALA 58 1HB ALA 58 -7.563 -3.981 0.101 485 2HB ALA 58 2HB ALA 58 -9.303 -4.233 0.014 486 3HB ALA 58 3HB ALA 58 -8.353 -4.152 -1.467 487 H SER 59 H SER 59 -9.254 -6.054 1.898 488 HA SER 59 HA SER 59 -7.025 -6.026 3.593 489 1HB SER 59 2HB SER 59 -9.670 -7.298 4.294 490 2HB SER 59 1HB SER 59 -8.536 -6.484 5.369 491 HG SER 59 HG SER 59 -9.003 -4.566 4.006 492 H ALA 60 H ALA 60 -8.380 -8.566 1.734 493 HA ALA 60 HA ALA 60 -7.157 -10.666 3.337 494 1HB ALA 60 1HB ALA 60 -9.072 -10.600 1.059 495 2HB ALA 60 2HB ALA 60 -9.176 -11.455 2.598 496 3HB ALA 60 3HB ALA 60 -8.118 -12.059 1.323 497 H PHE 61 H PHE 61 -7.068 -9.654 -0.083 498 HA PHE 61 HA PHE 61 -4.705 -11.150 -0.636 499 1HB PHE 61 2HB PHE 61 -6.686 -10.013 -2.166 500 2HB PHE 61 1HB PHE 61 -5.320 -8.951 -2.481 501 HD1 PHE 61 1HD PHE 61 -5.318 -12.610 -1.837 502 HD2 PHE 61 2HD PHE 61 -4.690 -9.489 -4.663 503 HE1 PHE 61 1HE PHE 61 -4.431 -14.246 -3.444 504 HE2 PHE 61 2HE PHE 61 -3.802 -11.119 -6.273 505 HZ PHE 61 HZ PHE 61 -3.672 -13.502 -5.666 506 H THR 62 H THR 62 -5.268 -7.615 -0.712 507 HA THR 62 HA THR 62 -2.656 -6.793 -0.921 508 HB THR 62 HB THR 62 -4.568 -5.323 0.867 509 HG1 THR 62 1HG THR 62 -5.529 -4.516 -1.060 510 1HG2 THR 62 1HG2 THR 62 -3.203 -3.622 0.542 511 2HG2 THR 62 2HG2 THR 62 -3.455 -3.739 -1.199 512 3HG2 THR 62 3HG2 THR 62 -2.151 -4.648 -0.434 513 H LYS 63 H LYS 63 -4.277 -8.093 1.872 514 HA LYS 63 HA LYS 63 -2.323 -7.202 3.770 515 1HB LYS 63 2HB LYS 63 -4.576 -7.629 4.518 516 2HB LYS 63 1HB LYS 63 -4.488 -9.295 3.966 517 1HG LYS 63 2HG LYS 63 -2.868 -9.827 5.653 518 2HG LYS 63 1HG LYS 63 -2.753 -8.134 6.134 519 1HD LYS 63 2HD LYS 63 -5.304 -9.730 6.277 520 2HD LYS 63 1HD LYS 63 -4.171 -9.587 7.622 521 1HE LYS 63 2HE LYS 63 -4.457 -7.183 7.650 522 2HE LYS 63 1HE LYS 63 -5.503 -7.264 6.235 523 1HZ LYS 63 1HZ LYS 63 -7.246 -7.962 7.453 524 2HZ LYS 63 2HZ LYS 63 -6.419 -7.213 8.723 525 3HZ LYS 63 3HZ LYS 63 -6.303 -8.887 8.510 526 H LYS 64 H LYS 64 -2.569 -9.842 1.580 527 HA LYS 64 HA LYS 64 -0.626 -11.471 2.988 528 1HB LYS 64 2HB LYS 64 -2.696 -12.157 1.391 529 2HB LYS 64 1HB LYS 64 -1.399 -12.132 0.203 530 1HG LYS 64 2HG LYS 64 -0.666 -14.103 0.887 531 2HG LYS 64 1HG LYS 64 -0.531 -13.527 2.549 532 1HD LYS 64 2HD LYS 64 -3.275 -14.071 1.655 533 2HD LYS 64 1HD LYS 64 -2.225 -15.488 1.719 534 1HE LYS 64 2HE LYS 64 -1.619 -14.859 4.047 535 2HE LYS 64 1HE LYS 64 -2.806 -13.559 3.961 536 1HZ LYS 64 1HZ LYS 64 -4.558 -15.103 3.776 537 2HZ LYS 64 2HZ LYS 64 -3.576 -15.681 5.027 538 3HZ LYS 64 3HZ LYS 64 -3.507 -16.400 3.497 539 H MET 65 H MET 65 -0.801 -9.081 0.524 540 HA MET 65 HA MET 65 1.833 -9.689 -0.546 541 1HB MET 65 2HB MET 65 -0.077 -7.439 -1.199 542 2HB MET 65 1HB MET 65 1.409 -7.805 -2.065 543 1HG MET 65 2HG MET 65 -0.504 -10.026 -1.827 544 2HG MET 65 1HG MET 65 -1.029 -8.660 -2.810 545 1HE MET 65 1HE MET 65 1.401 -11.221 -1.975 546 2HE MET 65 2HE MET 65 2.665 -11.183 -3.206 547 3HE MET 65 3HE MET 65 1.193 -12.115 -3.483 548 H VAL 66 H VAL 66 0.728 -8.193 2.169 549 HA VAL 66 HA VAL 66 3.000 -6.314 2.207 550 HB VAL 66 HB VAL 66 1.680 -4.969 3.850 551 1HG1 VAL 66 1HG1 VAL 66 0.810 -3.657 2.203 552 2HG1 VAL 66 2HG1 VAL 66 0.078 -5.017 1.352 553 3HG1 VAL 66 3HG1 VAL 66 1.812 -4.723 1.219 554 1HG2 VAL 66 1HG2 VAL 66 -0.922 -5.461 3.313 555 2HG2 VAL 66 2HG2 VAL 66 -0.071 -6.071 4.730 556 3HG2 VAL 66 3HG2 VAL 66 -0.271 -7.099 3.312 557 H GLU 67 H GLU 67 0.940 -8.446 4.159 558 HA GLU 67 HA GLU 67 2.748 -8.268 6.420 559 1HB GLU 67 2HB GLU 67 0.256 -9.920 5.970 560 2HB GLU 67 1HB GLU 67 1.176 -9.902 7.466 561 1HG GLU 67 2HG GLU 67 0.682 -7.227 6.925 562 2HG GLU 67 1HG GLU 67 -0.816 -8.053 6.501 563 H ASN 68 H ASN 68 1.354 -11.121 4.826 564 HA ASN 68 HA ASN 68 3.481 -12.827 5.543 565 1HB ASN 68 2HB ASN 68 1.092 -12.990 3.820 566 2HB ASN 68 1HB ASN 68 2.413 -14.054 3.349 567 1HD2 ASN 68 1HD2 ASN 68 1.024 -12.968 6.431 568 2HD2 ASN 68 2HD2 ASN 68 0.830 -14.552 7.095 569 H ALA 69 H ALA 69 3.114 -10.507 3.060 570 HA ALA 69 HA ALA 69 5.378 -11.572 1.533 571 1HB ALA 69 1HB ALA 69 2.987 -10.055 0.875 572 2HB ALA 69 2HB ALA 69 4.039 -11.016 -0.168 573 3HB ALA 69 3HB ALA 69 4.451 -9.339 0.197 574 H LYS 70 H LYS 70 7.297 -10.854 2.235 575 HA LYS 70 HA LYS 70 7.533 -7.999 2.924 576 1HB LYS 70 2HB LYS 70 9.264 -8.626 4.587 577 2HB LYS 70 1HB LYS 70 7.668 -9.249 4.983 578 1HG LYS 70 2HG LYS 70 9.086 -11.179 3.414 579 2HG LYS 70 1HG LYS 70 10.083 -10.669 4.779 580 1HD LYS 70 2HD LYS 70 8.456 -11.332 6.348 581 2HD LYS 70 1HD LYS 70 7.201 -11.454 5.114 582 1HE LYS 70 2HE LYS 70 8.830 -13.252 4.103 583 2HE LYS 70 1HE LYS 70 9.426 -13.329 5.760 584 1HZ LYS 70 1HZ LYS 70 7.056 -14.433 4.661 585 2HZ LYS 70 2HZ LYS 70 6.675 -13.398 5.944 586 3HZ LYS 70 3HZ LYS 70 7.744 -14.686 6.187 587 H LYS 71 H LYS 71 7.946 -8.641 0.383 588 HA LYS 71 HA LYS 71 10.870 -8.509 0.119 589 1HB LYS 71 2HB LYS 71 8.946 -10.177 -1.494 590 2HB LYS 71 1HB LYS 71 10.539 -9.743 -2.098 591 1HG LYS 71 2HG LYS 71 10.505 -10.917 0.593 592 2HG LYS 71 1HG LYS 71 9.990 -11.990 -0.710 593 1HD LYS 71 2HD LYS 71 12.379 -10.442 -1.359 594 2HD LYS 71 1HD LYS 71 12.590 -11.501 0.037 595 1HE LYS 71 2HE LYS 71 11.287 -13.140 -1.703 596 2HE LYS 71 1HE LYS 71 12.251 -12.157 -2.804 597 1HZ LYS 71 1HZ LYS 71 14.142 -12.708 -1.146 598 2HZ LYS 71 2HZ LYS 71 13.683 -13.860 -2.296 599 3HZ LYS 71 3HZ LYS 71 13.149 -14.002 -0.697 600 H ILE 72 H ILE 72 8.817 -6.432 0.215 601 HA ILE 72 HA ILE 72 8.480 -5.476 -2.482 602 HB ILE 72 HB ILE 72 8.022 -3.837 -0.012 603 1HG1 ILE 72 2HG1 ILE 72 5.577 -4.998 -0.817 604 2HG1 ILE 72 1HG1 ILE 72 6.738 -6.317 -0.693 605 1HG2 ILE 72 1HG2 ILE 72 6.461 -2.644 -1.327 606 2HG2 ILE 72 2HG2 ILE 72 6.508 -3.859 -2.603 607 3HG2 ILE 72 3HG2 ILE 72 7.910 -2.830 -2.315 608 1HD1 ILE 72 1HD1 ILE 72 5.873 -6.245 1.427 609 2HD1 ILE 72 2HD1 ILE 72 5.716 -4.487 1.421 610 3HD1 ILE 72 3HD1 ILE 72 7.305 -5.231 1.600 611 H GLU 73 H GLU 73 9.383 -3.606 -3.364 612 HA GLU 73 HA GLU 73 11.773 -2.555 -2.014 613 1HB GLU 73 2HB GLU 73 11.690 -3.082 -4.978 614 2HB GLU 73 1HB GLU 73 13.086 -2.699 -3.981 615 1HG GLU 73 2HG GLU 73 12.686 -4.897 -2.803 616 2HG GLU 73 1HG GLU 73 11.537 -5.266 -4.090 617 H VAL 74 H VAL 74 12.572 -0.513 -3.121 618 HA VAL 74 HA VAL 74 10.233 1.147 -3.776 619 HB VAL 74 HB VAL 74 12.932 2.168 -2.906 620 1HG1 VAL 74 1HG1 VAL 74 11.372 4.067 -2.111 621 2HG1 VAL 74 2HG1 VAL 74 10.197 3.348 -3.212 622 3HG1 VAL 74 3HG1 VAL 74 11.741 3.933 -3.831 623 1HG2 VAL 74 1HG2 VAL 74 12.171 2.255 -0.645 624 2HG2 VAL 74 2HG2 VAL 74 11.945 0.603 -1.221 625 3HG2 VAL 74 3HG2 VAL 74 10.563 1.692 -1.106 626 H GLU 75 H GLU 75 9.998 1.400 -5.900 627 HA GLU 75 HA GLU 75 12.340 1.456 -7.637 628 1HB GLU 75 2HB GLU 75 9.386 1.218 -8.097 629 2HB GLU 75 1HB GLU 75 10.446 1.683 -9.419 630 1HG GLU 75 2HG GLU 75 11.215 -0.707 -7.857 631 2HG GLU 75 1HG GLU 75 9.800 -0.843 -8.902 632 H PHE 76 H PHE 76 13.165 3.494 -6.901 633 HA PHE 76 HA PHE 76 12.306 5.677 -8.503 634 1HB PHE 76 2HB PHE 76 11.318 5.505 -5.737 635 2HB PHE 76 1HB PHE 76 12.077 7.041 -6.144 636 HD1 PHE 76 1HD PHE 76 9.101 5.147 -6.264 637 HD2 PHE 76 2HD PHE 76 11.267 8.169 -8.332 638 HE1 PHE 76 1HE PHE 76 7.026 5.873 -7.370 639 HE2 PHE 76 2HE PHE 76 9.197 8.900 -9.442 640 HZ PHE 76 HZ PHE 76 7.073 7.752 -8.961 641 H ASP 77 H ASP 77 14.180 6.556 -9.091 642 HA ASP 77 HA ASP 77 16.603 6.133 -7.703 643 1HB ASP 77 2HB ASP 77 15.956 6.935 -10.229 644 2HB ASP 77 1HB ASP 77 16.511 8.449 -9.525 645 H LYS 78 H LYS 78 14.460 8.943 -7.963 646 HA LYS 78 HA LYS 78 15.142 9.867 -5.365 647 1HB LYS 78 2HB LYS 78 17.067 10.536 -7.133 648 2HB LYS 78 1HB LYS 78 15.985 11.909 -7.335 649 1HG LYS 78 2HG LYS 78 16.153 12.467 -5.016 650 2HG LYS 78 1HG LYS 78 17.057 10.990 -4.679 651 1HD LYS 78 2HD LYS 78 18.071 13.008 -6.652 652 2HD LYS 78 1HD LYS 78 18.357 13.204 -4.921 653 1HE LYS 78 2HE LYS 78 18.964 10.545 -6.045 654 2HE LYS 78 1HE LYS 78 20.010 11.864 -6.573 655 1HZ LYS 78 1HZ LYS 78 21.105 11.328 -4.697 656 2HZ LYS 78 2HZ LYS 78 19.754 10.634 -3.953 657 3HZ LYS 78 3HZ LYS 78 19.945 12.315 -3.958 658 H GLY 79 H GLY 79 13.832 10.673 -8.546 659 1HA GLY 79 2HA GLY 79 12.319 12.883 -8.079 660 2HA GLY 79 1HA GLY 79 11.777 11.564 -9.102 661 H GLN 80 H GLN 80 10.245 13.363 -7.357 662 HA GLN 80 HA GLN 80 9.409 11.964 -5.037 663 1HB GLN 80 2HB GLN 80 7.509 13.539 -5.032 664 2HB GLN 80 1HB GLN 80 9.051 14.358 -5.255 665 1HG GLN 80 2HG GLN 80 8.068 13.745 -7.824 666 2HG GLN 80 1HG GLN 80 6.724 14.413 -6.900 667 1HE2 GLN 80 1HE2 GLN 80 9.403 15.126 -8.750 668 2HE2 GLN 80 2HE2 GLN 80 9.565 16.800 -8.355 669 H ARG 81 H ARG 81 7.229 11.081 -4.686 670 HA ARG 81 HA ARG 81 6.482 9.369 -6.931 671 1HB ARG 81 2HB ARG 81 5.413 9.200 -4.121 672 2HB ARG 81 1HB ARG 81 5.437 7.944 -5.350 673 1HG ARG 81 2HG ARG 81 7.882 7.847 -5.189 674 2HG ARG 81 1HG ARG 81 7.838 9.086 -3.934 675 1HD ARG 81 2HD ARG 81 6.128 7.365 -2.848 676 2HD ARG 81 1HD ARG 81 7.059 6.225 -3.817 677 HE ARG 81 HE ARG 81 7.890 7.486 -1.415 678 1HH1 ARG 81 1HH1 ARG 81 9.077 6.370 -4.501 679 2HH1 ARG 81 2HH1 ARG 81 10.689 6.110 -3.928 680 1HH2 ARG 81 1HH2 ARG 81 10.010 7.143 -0.658 681 2HH2 ARG 81 2HH2 ARG 81 11.221 6.547 -1.745 682 H THR 82 H THR 82 4.825 11.350 -4.463 683 HA THR 82 HA THR 82 2.840 12.083 -6.486 684 HB THR 82 HB THR 82 0.977 11.544 -5.134 685 HG1 THR 82 1HG THR 82 2.824 11.010 -3.052 686 1HG2 THR 82 1HG2 THR 82 1.369 9.141 -4.415 687 2HG2 THR 82 2HG2 THR 82 3.004 9.342 -5.045 688 3HG2 THR 82 3HG2 THR 82 1.615 9.529 -6.118 689 H ASP 83 H ASP 83 1.592 13.978 -5.936 690 HA ASP 83 HA ASP 83 3.126 15.821 -4.254 691 1HB ASP 83 2HB ASP 83 1.015 16.351 -6.356 692 2HB ASP 83 1HB ASP 83 1.851 17.597 -5.433 693 H LYS 84 H LYS 84 0.078 14.207 -4.491 694 HA LYS 84 HA LYS 84 -1.668 15.730 -3.056 695 1HB LYS 84 2HB LYS 84 -2.557 13.505 -2.155 696 2HB LYS 84 1HB LYS 84 -2.486 13.697 -3.902 697 1HG LYS 84 2HG LYS 84 -0.191 12.526 -3.702 698 2HG LYS 84 1HG LYS 84 -0.772 12.022 -2.115 699 1HD LYS 84 2HD LYS 84 -1.473 10.260 -3.413 700 2HD LYS 84 1HD LYS 84 -2.899 11.298 -3.469 701 1HE LYS 84 2HE LYS 84 -1.046 12.015 -5.551 702 2HE LYS 84 1HE LYS 84 -1.424 10.295 -5.631 703 1HZ LYS 84 1HZ LYS 84 -3.549 10.699 -6.202 704 2HZ LYS 84 2HZ LYS 84 -2.930 12.177 -6.741 705 3HZ LYS 84 3HZ LYS 84 -3.683 12.077 -5.230 706 H TYR 85 H TYR 85 1.135 14.048 -1.848 707 HA TYR 85 HA TYR 85 1.233 15.534 0.534 708 1HB TYR 85 2HB TYR 85 -0.689 14.134 1.172 709 2HB TYR 85 1HB TYR 85 0.269 12.687 0.880 710 HD1 TYR 85 1HD TYR 85 1.031 11.643 2.781 711 HD2 TYR 85 2HD TYR 85 0.672 15.882 2.792 712 HE1 TYR 85 1HE TYR 85 1.827 11.698 5.107 713 HE2 TYR 85 2HE TYR 85 1.468 15.950 5.117 714 HH TYR 85 HH TYR 85 2.724 14.617 6.673 715 H GLY 86 H GLY 86 2.076 12.513 -1.081 716 1HA GLY 86 2HA GLY 86 4.373 12.068 -1.650 717 2HA GLY 86 1HA GLY 86 4.855 12.919 -0.189 718 H ARG 87 H ARG 87 2.208 10.679 -0.109 719 HA ARG 87 HA ARG 87 3.789 8.418 0.686 720 1HB ARG 87 2HB ARG 87 2.363 10.089 2.731 721 2HB ARG 87 1HB ARG 87 2.586 8.363 2.984 722 1HG ARG 87 2HG ARG 87 5.064 8.796 2.568 723 2HG ARG 87 1HG ARG 87 4.673 10.505 2.762 724 1HD ARG 87 2HD ARG 87 4.226 10.292 4.991 725 2HD ARG 87 1HD ARG 87 3.693 8.618 4.834 726 HE ARG 87 HE ARG 87 6.350 8.489 4.314 727 1HH1 ARG 87 1HH1 ARG 87 4.476 9.821 6.941 728 2HH1 ARG 87 2HH1 ARG 87 5.709 9.542 8.126 729 1HH2 ARG 87 1HH2 ARG 87 7.972 8.123 5.870 730 2HH2 ARG 87 2HH2 ARG 87 7.693 8.579 7.517 731 H GLY 88 H GLY 88 0.718 9.942 0.102 732 1HA GLY 88 2HA GLY 88 -1.025 7.833 0.666 733 2HA GLY 88 1HA GLY 88 -1.313 9.091 -0.527 734 H LEU 89 H LEU 89 -0.431 8.771 -2.688 735 HA LEU 89 HA LEU 89 -0.886 6.093 -3.587 736 1HB LEU 89 2HB LEU 89 -0.501 8.734 -4.795 737 2HB LEU 89 1HB LEU 89 0.175 7.425 -5.745 738 HG LEU 89 HG LEU 89 -2.076 6.298 -5.617 739 1HD1 LEU 89 1HD1 LEU 89 -2.733 7.801 -3.619 740 2HD1 LEU 89 2HD1 LEU 89 -3.954 7.401 -4.827 741 3HD1 LEU 89 3HD1 LEU 89 -3.167 8.979 -4.858 742 1HD2 LEU 89 1HD2 LEU 89 -1.765 7.196 -7.685 743 2HD2 LEU 89 2HD2 LEU 89 -1.464 8.817 -7.060 744 3HD2 LEU 89 3HD2 LEU 89 -3.114 8.198 -7.149 745 H ALA 90 H ALA 90 0.557 4.513 -3.549 746 HA ALA 90 HA ALA 90 3.329 5.080 -4.278 747 1HB ALA 90 1HB ALA 90 3.825 3.359 -2.284 748 2HB ALA 90 2HB ALA 90 2.416 4.181 -1.617 749 3HB ALA 90 3HB ALA 90 3.842 5.110 -2.076 750 H TYR 91 H TYR 91 4.555 3.127 -4.793 751 HA TYR 91 HA TYR 91 2.792 1.054 -5.892 752 1HB TYR 91 2HB TYR 91 5.603 1.882 -6.627 753 2HB TYR 91 1HB TYR 91 4.790 0.479 -7.310 754 HD1 TYR 91 1HD TYR 91 3.504 0.717 -9.232 755 HD2 TYR 91 2HD TYR 91 4.388 4.162 -6.897 756 HE1 TYR 91 1HE TYR 91 2.485 2.140 -10.958 757 HE2 TYR 91 2HE TYR 91 3.371 5.596 -8.616 758 HH TYR 91 HH TYR 91 1.364 4.873 -10.665 759 H ILE 92 H ILE 92 3.103 -1.101 -5.470 760 HA ILE 92 HA ILE 92 5.098 -1.741 -3.396 761 HB ILE 92 HB ILE 92 2.774 -1.752 -2.548 762 1HG1 ILE 92 2HG1 ILE 92 4.611 -3.273 -1.675 763 2HG1 ILE 92 1HG1 ILE 92 2.962 -3.765 -1.309 764 1HG2 ILE 92 1HG2 ILE 92 1.832 -2.539 -4.782 765 2HG2 ILE 92 2HG2 ILE 92 1.111 -3.200 -3.314 766 3HG2 ILE 92 3HG2 ILE 92 2.253 -4.166 -4.247 767 1HD1 ILE 92 1HD1 ILE 92 5.029 -5.175 -2.715 768 2HD1 ILE 92 2HD1 ILE 92 3.580 -5.034 -3.710 769 3HD1 ILE 92 3HD1 ILE 92 3.481 -5.759 -2.106 770 H TYR 93 H TYR 93 6.673 -2.910 -4.289 771 HA TYR 93 HA TYR 93 5.947 -4.954 -6.285 772 1HB TYR 93 2HB TYR 93 8.698 -3.772 -5.935 773 2HB TYR 93 1HB TYR 93 8.076 -4.690 -7.301 774 HD1 TYR 93 1HD TYR 93 8.454 -1.422 -5.824 775 HD2 TYR 93 2HD TYR 93 6.374 -3.625 -8.810 776 HE1 TYR 93 1HE TYR 93 7.863 0.679 -6.953 777 HE2 TYR 93 2HE TYR 93 5.776 -1.529 -9.948 778 HH TYR 93 HH TYR 93 6.918 0.933 -9.988 779 H ALA 94 H ALA 94 5.436 -6.244 -4.296 780 HA ALA 94 HA ALA 94 7.636 -7.159 -2.683 781 1HB ALA 94 1HB ALA 94 5.277 -6.951 -1.867 782 2HB ALA 94 2HB ALA 94 6.036 -8.510 -1.545 783 3HB ALA 94 3HB ALA 94 4.877 -8.349 -2.864 784 H ASP 95 H ASP 95 9.143 -8.280 -3.793 785 HA ASP 95 HA ASP 95 10.134 -10.049 -4.826 786 1HB ASP 95 2HB ASP 95 8.499 -11.338 -3.336 787 2HB ASP 95 1HB ASP 95 7.479 -11.482 -4.764 788 H GLY 96 H GLY 96 8.950 -7.923 -6.323 789 1HA GLY 96 2HA GLY 96 8.665 -7.386 -8.539 790 2HA GLY 96 1HA GLY 96 9.094 -9.046 -8.926 791 H LYS 97 H LYS 97 6.405 -8.053 -6.878 792 HA LYS 97 HA LYS 97 4.594 -9.375 -8.759 793 1HB LYS 97 2HB LYS 97 4.674 -9.055 -5.844 794 2HB LYS 97 1HB LYS 97 3.078 -8.824 -6.542 795 1HG LYS 97 2HG LYS 97 3.009 -11.062 -6.173 796 2HG LYS 97 1HG LYS 97 3.689 -11.060 -7.802 797 1HD LYS 97 2HD LYS 97 5.289 -12.358 -6.913 798 2HD LYS 97 1HD LYS 97 5.933 -10.847 -6.268 799 1HE LYS 97 2HE LYS 97 5.027 -11.223 -4.154 800 2HE LYS 97 1HE LYS 97 3.868 -12.406 -4.758 801 1HZ LYS 97 1HZ LYS 97 5.321 -14.047 -4.475 802 2HZ LYS 97 2HZ LYS 97 6.260 -12.962 -3.579 803 3HZ LYS 97 3HZ LYS 97 6.578 -13.197 -5.224 804 H MET 98 H MET 98 2.498 -8.436 -9.193 805 HA MET 98 HA MET 98 2.462 -5.499 -8.978 806 1HB MET 98 2HB MET 98 2.500 -7.140 -11.353 807 2HB MET 98 1HB MET 98 1.019 -6.196 -11.292 808 1HG MET 98 2HG MET 98 2.683 -4.980 -12.508 809 2HG MET 98 1HG MET 98 2.365 -4.157 -10.982 810 1HE MET 98 1HE MET 98 6.098 -4.067 -12.521 811 2HE MET 98 2HE MET 98 5.352 -2.896 -11.433 812 3HE MET 98 3HE MET 98 4.446 -3.518 -12.812 813 H VAL 99 H VAL 99 1.105 -5.747 -7.138 814 HA VAL 99 HA VAL 99 -1.278 -7.217 -7.084 815 HB VAL 99 HB VAL 99 -1.958 -5.734 -5.220 816 1HG1 VAL 99 1HG1 VAL 99 -0.553 -6.753 -3.767 817 2HG1 VAL 99 2HG1 VAL 99 0.893 -6.255 -4.645 818 3HG1 VAL 99 3HG1 VAL 99 -0.061 -7.624 -5.218 819 1HG2 VAL 99 1HG2 VAL 99 0.508 -4.205 -6.025 820 2HG2 VAL 99 2HG2 VAL 99 -0.277 -4.034 -4.455 821 3HG2 VAL 99 3HG2 VAL 99 -1.150 -3.611 -5.927 822 H ASN 100 H ASN 100 -0.718 -3.796 -7.898 823 HA ASN 100 HA ASN 100 -3.303 -2.948 -8.250 824 1HB ASN 100 2HB ASN 100 -0.855 -1.855 -8.711 825 2HB ASN 100 1HB ASN 100 -1.449 -2.042 -10.358 826 1HD2 ASN 100 1HD2 ASN 100 -2.255 -0.210 -11.056 827 2HD2 ASN 100 2HD2 ASN 100 -3.245 0.881 -10.154 828 H GLU 101 H GLU 101 -1.538 -5.195 -10.210 829 HA GLU 101 HA GLU 101 -3.396 -4.964 -12.430 830 1HB GLU 101 2HB GLU 101 -0.987 -6.737 -12.027 831 2HB GLU 101 1HB GLU 101 -1.954 -6.679 -13.495 832 1HG GLU 101 2HG GLU 101 -1.396 -4.257 -13.681 833 2HG GLU 101 1HG GLU 101 -0.292 -4.464 -12.322 834 H ALA 102 H ALA 102 -2.202 -7.754 -10.516 835 HA ALA 102 HA ALA 102 -4.592 -9.234 -11.246 836 1HB ALA 102 1HB ALA 102 -2.288 -10.186 -9.566 837 2HB ALA 102 2HB ALA 102 -2.309 -10.233 -11.329 838 3HB ALA 102 3HB ALA 102 -3.490 -11.165 -10.407 839 H LEU 103 H LEU 103 -3.576 -7.355 -8.571 840 HA LEU 103 HA LEU 103 -5.410 -8.761 -6.769 841 1HB LEU 103 2HB LEU 103 -3.295 -8.366 -5.769 842 2HB LEU 103 1HB LEU 103 -3.272 -6.700 -6.297 843 HG LEU 103 HG LEU 103 -5.435 -7.531 -4.427 844 1HD1 LEU 103 1HD1 LEU 103 -2.538 -7.189 -3.693 845 2HD1 LEU 103 2HD1 LEU 103 -3.605 -8.541 -3.319 846 3HD1 LEU 103 3HD1 LEU 103 -3.853 -6.980 -2.540 847 1HD2 LEU 103 1HD2 LEU 103 -3.759 -5.044 -4.764 848 2HD2 LEU 103 2HD2 LEU 103 -5.047 -5.250 -3.577 849 3HD2 LEU 103 3HD2 LEU 103 -5.422 -5.271 -5.298 850 H VAL 104 H VAL 104 -4.749 -5.461 -7.943 851 HA VAL 104 HA VAL 104 -7.288 -4.547 -6.863 852 HB VAL 104 HB VAL 104 -5.271 -2.966 -8.453 853 1HG1 VAL 104 1HG1 VAL 104 -6.521 -1.240 -6.758 854 2HG1 VAL 104 2HG1 VAL 104 -7.828 -2.353 -7.162 855 3HG1 VAL 104 3HG1 VAL 104 -6.970 -1.499 -8.444 856 1HG2 VAL 104 1HG2 VAL 104 -4.217 -3.912 -6.466 857 2HG2 VAL 104 2HG2 VAL 104 -5.521 -3.284 -5.460 858 3HG2 VAL 104 3HG2 VAL 104 -4.432 -2.171 -6.290 859 H ARG 105 H ARG 105 -5.727 -4.267 -10.077 860 HA ARG 105 HA ARG 105 -8.048 -3.527 -11.442 861 1HB ARG 105 2HB ARG 105 -5.610 -3.442 -12.238 862 2HB ARG 105 1HB ARG 105 -5.835 -5.119 -12.717 863 1HG ARG 105 2HG ARG 105 -7.732 -4.408 -14.140 864 2HG ARG 105 1HG ARG 105 -7.365 -2.733 -13.727 865 1HD ARG 105 2HD ARG 105 -4.947 -3.919 -14.564 866 2HD ARG 105 1HD ARG 105 -6.181 -4.404 -15.725 867 HE ARG 105 HE ARG 105 -5.119 -1.759 -15.316 868 1HH1 ARG 105 1HH1 ARG 105 -7.805 -3.618 -16.548 869 2HH1 ARG 105 2HH1 ARG 105 -8.326 -2.377 -17.637 870 1HH2 ARG 105 1HH2 ARG 105 -5.805 -0.127 -16.747 871 2HH2 ARG 105 2HH2 ARG 105 -7.190 -0.395 -17.751 872 H GLN 106 H GLN 106 -6.993 -6.635 -10.350 873 HA GLN 106 HA GLN 106 -8.538 -8.210 -12.140 874 1HB GLN 106 2HB GLN 106 -6.563 -8.937 -10.667 875 2HB GLN 106 1HB GLN 106 -7.741 -9.062 -9.368 876 1HG GLN 106 2HG GLN 106 -9.054 -10.579 -10.945 877 2HG GLN 106 1HG GLN 106 -7.577 -10.648 -11.904 878 1HE2 GLN 106 1HE2 GLN 106 -6.060 -12.067 -11.355 879 2HE2 GLN 106 2HE2 GLN 106 -6.041 -12.997 -9.899 880 H GLY 107 H GLY 107 -9.363 -6.309 -9.411 881 1HA GLY 107 2HA GLY 107 -11.625 -5.800 -8.889 882 2HA GLY 107 1HA GLY 107 -12.102 -7.354 -9.558 883 H LEU 108 H LEU 108 -9.669 -6.495 -7.124 884 HA LEU 108 HA LEU 108 -11.227 -7.703 -5.006 885 1HB LEU 108 2HB LEU 108 -8.612 -8.883 -5.938 886 2HB LEU 108 1HB LEU 108 -9.336 -9.237 -4.382 887 HG LEU 108 HG LEU 108 -11.408 -9.923 -5.875 888 1HD1 LEU 108 1HD1 LEU 108 -9.310 -9.498 -7.804 889 2HD1 LEU 108 2HD1 LEU 108 -11.016 -9.865 -8.058 890 3HD1 LEU 108 3HD1 LEU 108 -9.858 -11.174 -7.825 891 1HD2 LEU 108 1HD2 LEU 108 -10.892 -12.045 -5.307 892 2HD2 LEU 108 2HD2 LEU 108 -9.599 -11.258 -4.400 893 3HD2 LEU 108 3HD2 LEU 108 -9.268 -11.950 -5.989 894 H ALA 109 H ALA 109 -10.236 -5.084 -5.564 895 HA ALA 109 HA ALA 109 -9.378 -4.195 -3.137 896 1HB ALA 109 1HB ALA 109 -6.853 -3.741 -4.109 897 2HB ALA 109 2HB ALA 109 -7.183 -5.389 -4.638 898 3HB ALA 109 3HB ALA 109 -7.292 -4.974 -2.929 899 H LYS 110 H LYS 110 -11.012 -3.306 -5.182 900 HA LYS 110 HA LYS 110 -9.666 -1.105 -6.517 901 1HB LYS 110 2HB LYS 110 -12.391 -2.330 -6.659 902 2HB LYS 110 1HB LYS 110 -12.166 -0.684 -7.237 903 1HG LYS 110 2HG LYS 110 -10.172 -1.765 -8.562 904 2HG LYS 110 1HG LYS 110 -11.114 -3.240 -8.329 905 1HD LYS 110 2HD LYS 110 -12.675 -0.920 -9.224 906 2HD LYS 110 1HD LYS 110 -11.459 -1.476 -10.377 907 1HE LYS 110 2HE LYS 110 -12.428 -3.589 -10.561 908 2HE LYS 110 1HE LYS 110 -13.325 -3.412 -9.054 909 1HZ LYS 110 1HZ LYS 110 -13.953 -2.392 -11.723 910 2HZ LYS 110 2HZ LYS 110 -14.431 -1.461 -10.393 911 3HZ LYS 110 3HZ LYS 110 -14.979 -3.053 -10.550
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