NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
594444 | 2n2u | 25612 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 2.965 15.360 -4.068 2 H2 MET 1 2H MET 1 3.147 14.868 -2.462 3 H3 MET 1 3H MET 1 1.703 15.583 -2.968 4 HA MET 1 HA MET 1 1.530 13.192 -2.682 5 HB2 MET 1 2HB MET 1 0.434 12.737 -4.897 6 HB3 MET 1 3HB MET 1 -0.052 14.254 -4.158 7 HG2 MET 1 2HG MET 1 1.970 14.005 -6.396 8 HG3 MET 1 3HG MET 1 0.268 14.429 -6.602 9 HE1 MET 1 3HE MET 1 2.206 17.815 -7.285 10 HE2 MET 1 1HE MET 1 1.055 16.655 -7.948 11 HE3 MET 1 2HE MET 1 2.736 16.185 -7.696 12 H VAL 2 H VAL 2 2.429 11.213 -2.887 13 HA VAL 2 HA VAL 2 4.624 10.780 -4.847 14 HB VAL 2 HB VAL 2 4.283 9.259 -2.212 15 HG11 VAL 2 1HG1 VAL 2 5.456 7.995 -3.971 16 HG12 VAL 2 2HG1 VAL 2 6.569 8.435 -2.677 17 HG13 VAL 2 3HG1 VAL 2 6.592 9.329 -4.198 18 HG21 VAL 2 3HG2 VAL 2 6.201 10.548 -1.340 19 HG22 VAL 2 1HG2 VAL 2 4.824 11.594 -1.697 20 HG23 VAL 2 2HG2 VAL 2 6.199 11.542 -2.796 21 H ASP 3 H ASP 3 4.146 9.306 -6.356 22 HA ASP 3 HA ASP 3 1.763 7.711 -6.357 23 HB2 ASP 3 2HB ASP 3 2.713 8.658 -8.412 24 HB3 ASP 3 3HB ASP 3 4.226 7.807 -8.153 25 H LEU 4 H LEU 4 1.557 5.831 -5.200 26 HA LEU 4 HA LEU 4 3.877 3.979 -4.948 27 HB2 LEU 4 2HB LEU 4 1.672 4.482 -2.888 28 HB3 LEU 4 3HB LEU 4 2.897 3.231 -2.758 29 HG LEU 4 HG LEU 4 3.437 6.232 -2.692 30 HD11 LEU 4 1HD1 LEU 4 3.469 4.177 -0.450 31 HD12 LEU 4 2HD1 LEU 4 2.273 5.456 -0.681 32 HD13 LEU 4 3HD1 LEU 4 3.940 5.874 -0.311 33 HD21 LEU 4 3HD2 LEU 4 5.740 5.610 -2.048 34 HD22 LEU 4 1HD2 LEU 4 5.335 5.021 -3.660 35 HD23 LEU 4 2HD2 LEU 4 5.353 3.903 -2.294 36 H LYS 5 H LYS 5 3.436 2.355 -6.296 37 HA LYS 5 HA LYS 5 0.690 1.191 -6.403 38 HB2 LYS 5 2HB LYS 5 2.711 1.616 -8.611 39 HB3 LYS 5 3HB LYS 5 1.767 0.139 -8.672 40 HG2 LYS 5 2HG LYS 5 0.681 1.729 -10.061 41 HG3 LYS 5 3HG LYS 5 -0.322 1.524 -8.629 42 HD2 LYS 5 2HD LYS 5 1.609 3.774 -8.410 43 HD3 LYS 5 3HD LYS 5 0.473 3.960 -9.740 44 HE2 LYS 5 2HE LYS 5 -1.400 3.662 -8.146 45 HE3 LYS 5 3HE LYS 5 -0.242 3.548 -6.825 46 HZ1 LYS 5 3HZ LYS 5 -0.765 5.897 -8.560 47 HZ2 LYS 5 1HZ LYS 5 0.508 5.818 -7.452 48 HZ3 LYS 5 2HZ LYS 5 -1.092 5.758 -6.904 49 H ILE 6 H ILE 6 0.548 -0.767 -5.418 50 HA ILE 6 HA ILE 6 3.074 -2.096 -4.636 51 HB ILE 6 HB ILE 6 0.347 -2.223 -3.229 52 HG12 ILE 6 2HG1 ILE 6 1.759 -1.240 -1.253 53 HG13 ILE 6 3HG1 ILE 6 2.937 -0.792 -2.476 54 HG21 ILE 6 1HG2 ILE 6 1.518 -4.393 -3.116 55 HG22 ILE 6 2HG2 ILE 6 1.487 -3.631 -1.529 56 HG23 ILE 6 3HG2 ILE 6 2.968 -3.604 -2.485 57 HD11 ILE 6 3HD1 ILE 6 1.250 0.624 -3.559 58 HD12 ILE 6 1HD1 ILE 6 1.519 1.076 -1.876 59 HD13 ILE 6 2HD1 ILE 6 0.077 0.164 -2.322 60 H ASP 7 H ASP 7 3.407 -3.836 -5.872 61 HA ASP 7 HA ASP 7 1.488 -5.235 -7.454 62 HB2 ASP 7 2HB ASP 7 3.897 -5.463 -7.919 63 HB3 ASP 7 3HB ASP 7 4.190 -6.123 -6.316 64 H VAL 8 H VAL 8 0.105 -6.994 -6.871 65 HA VAL 8 HA VAL 8 0.480 -8.220 -4.214 66 HB VAL 8 HB VAL 8 -1.972 -8.388 -3.844 67 HG11 VAL 8 1HG1 VAL 8 -0.980 -5.527 -4.057 68 HG12 VAL 8 2HG1 VAL 8 -0.698 -6.640 -2.715 69 HG13 VAL 8 3HG1 VAL 8 -2.335 -6.085 -3.066 70 HG21 VAL 8 3HG2 VAL 8 -3.584 -6.966 -5.062 71 HG22 VAL 8 1HG2 VAL 8 -2.808 -8.118 -6.151 72 HG23 VAL 8 2HG2 VAL 8 -2.304 -6.429 -6.154 73 H SER 9 H SER 9 0.659 -10.304 -4.372 74 HA SER 9 HA SER 9 0.058 -11.678 -6.922 75 HB2 SER 9 2HB SER 9 1.845 -12.572 -4.620 76 HB3 SER 9 3HB SER 9 1.716 -13.341 -6.208 77 HG SER 9 HG SER 9 2.246 -10.793 -6.640 78 H ASP 10 H ASP 10 -1.189 -11.383 -3.804 79 HA ASP 10 HA ASP 10 -2.938 -13.720 -4.148 80 HB2 ASP 10 2HB ASP 10 -1.287 -14.610 -2.648 81 HB3 ASP 10 3HB ASP 10 -1.213 -13.129 -1.708 82 H ASP 11 H ASP 11 -4.853 -13.567 -2.736 83 HA ASP 11 HA ASP 11 -6.076 -10.960 -3.072 84 HB2 ASP 11 2HB ASP 11 -7.167 -13.135 -3.714 85 HB3 ASP 11 3HB ASP 11 -7.235 -13.583 -2.015 86 H GLU 12 H GLU 12 -5.373 -13.186 -0.364 87 HA GLU 12 HA GLU 12 -6.731 -11.694 1.642 88 HB2 GLU 12 2HB GLU 12 -6.346 -14.079 1.931 89 HB3 GLU 12 3HB GLU 12 -4.605 -13.855 1.819 90 HG2 GLU 12 2HG GLU 12 -5.191 -14.254 4.123 91 HG3 GLU 12 3HG GLU 12 -4.634 -12.593 3.959 92 H GLU 13 H GLU 13 -3.259 -11.827 0.668 93 HA GLU 13 HA GLU 13 -2.365 -10.024 2.664 94 HB2 GLU 13 2HB GLU 13 -0.314 -9.831 1.332 95 HB3 GLU 13 3HB GLU 13 -0.798 -11.498 1.521 96 HG2 GLU 13 2HG GLU 13 -0.433 -11.687 -0.678 97 HG3 GLU 13 3HG GLU 13 -1.960 -10.855 -0.895 98 H ALA 14 H ALA 14 -3.704 -9.573 -0.591 99 HA ALA 14 HA ALA 14 -3.235 -6.825 -0.936 100 HB1 ALA 14 3HB ALA 14 -5.567 -8.474 -1.980 101 HB2 ALA 14 1HB ALA 14 -3.991 -8.306 -2.755 102 HB3 ALA 14 2HB ALA 14 -5.049 -6.903 -2.601 103 H GLU 15 H GLU 15 -5.995 -8.550 0.504 104 HA GLU 15 HA GLU 15 -7.539 -6.441 1.432 105 HB2 GLU 15 2HB GLU 15 -7.037 -9.198 2.619 106 HB3 GLU 15 3HB GLU 15 -8.249 -8.101 3.269 107 HG2 GLU 15 2HG GLU 15 -8.237 -9.121 0.411 108 HG3 GLU 15 3HG GLU 15 -9.137 -9.871 1.728 109 H LYS 16 H LYS 16 -4.818 -8.075 3.017 110 HA LYS 16 HA LYS 16 -4.791 -6.611 5.423 111 HB2 LYS 16 2HB LYS 16 -2.622 -8.193 3.990 112 HB3 LYS 16 3HB LYS 16 -2.382 -7.480 5.580 113 HG2 LYS 16 2HG LYS 16 -4.562 -9.504 4.965 114 HG3 LYS 16 3HG LYS 16 -2.963 -9.937 5.577 115 HD2 LYS 16 2HD LYS 16 -3.388 -8.501 7.586 116 HD3 LYS 16 3HD LYS 16 -5.015 -8.181 6.982 117 HE2 LYS 16 2HE LYS 16 -3.969 -10.960 7.646 118 HE3 LYS 16 3HE LYS 16 -4.899 -9.953 8.756 119 HZ1 LYS 16 3HZ LYS 16 -5.860 -10.893 6.104 120 HZ2 LYS 16 1HZ LYS 16 -6.743 -9.975 7.215 121 HZ3 LYS 16 2HZ LYS 16 -6.301 -11.563 7.593 122 H ILE 17 H ILE 17 -3.317 -5.910 2.245 123 HA ILE 17 HA ILE 17 -1.609 -3.781 3.048 124 HB ILE 17 HB ILE 17 -3.035 -3.919 0.337 125 HG12 ILE 17 2HG1 ILE 17 -1.971 -6.048 0.465 126 HG13 ILE 17 3HG1 ILE 17 -0.897 -5.065 -0.507 127 HG21 ILE 17 1HG2 ILE 17 -0.415 -2.588 1.130 128 HG22 ILE 17 2HG2 ILE 17 -1.936 -1.770 0.761 129 HG23 ILE 17 3HG2 ILE 17 -1.079 -2.650 -0.505 130 HD11 ILE 17 3HD1 ILE 17 0.288 -6.546 1.021 131 HD12 ILE 17 1HD1 ILE 17 -0.481 -5.763 2.405 132 HD13 ILE 17 2HD1 ILE 17 0.628 -4.846 1.379 133 H ILE 18 H ILE 18 -4.955 -3.902 1.904 134 HA ILE 18 HA ILE 18 -5.580 -1.159 1.846 135 HB ILE 18 HB ILE 18 -7.446 -3.532 2.338 136 HG12 ILE 18 2HG1 ILE 18 -6.771 -2.170 -0.308 137 HG13 ILE 18 3HG1 ILE 18 -6.095 -3.703 0.225 138 HG21 ILE 18 1HG2 ILE 18 -8.152 -0.739 1.354 139 HG22 ILE 18 2HG2 ILE 18 -8.561 -1.420 2.929 140 HG23 ILE 18 3HG2 ILE 18 -9.267 -2.105 1.467 141 HD11 ILE 18 3HD1 ILE 18 -8.990 -3.132 -0.363 142 HD12 ILE 18 1HD1 ILE 18 -8.357 -4.664 0.250 143 HD13 ILE 18 2HD1 ILE 18 -7.865 -4.077 -1.337 144 H ARG 19 H ARG 19 -5.936 -3.613 4.418 145 HA ARG 19 HA ARG 19 -7.388 -1.953 6.232 146 HB2 ARG 19 2HB ARG 19 -5.806 -4.489 6.871 147 HB3 ARG 19 3HB ARG 19 -7.004 -3.730 7.913 148 HG2 ARG 19 2HG ARG 19 -7.479 -5.157 5.288 149 HG3 ARG 19 3HG ARG 19 -8.030 -5.638 6.889 150 HD2 ARG 19 2HD ARG 19 -9.545 -3.683 6.947 151 HD3 ARG 19 3HD ARG 19 -8.979 -3.187 5.352 152 HE ARG 19 HE ARG 19 -10.897 -5.245 5.976 153 HH11 ARG 19 1HH1 ARG 19 -8.578 -4.241 3.514 154 HH12 ARG 19 2HH1 ARG 19 -9.399 -5.088 2.242 155 HH21 ARG 19 1HH2 ARG 19 -11.966 -6.285 4.296 156 HH22 ARG 19 2HH2 ARG 19 -11.315 -6.244 2.682 157 H GLU 20 H GLU 20 -3.962 -2.977 6.100 158 HA GLU 20 HA GLU 20 -3.169 -1.575 8.429 159 HB2 GLU 20 2HB GLU 20 -1.716 -3.049 6.241 160 HB3 GLU 20 3HB GLU 20 -0.774 -1.986 7.276 161 HG2 GLU 20 2HG GLU 20 -0.605 -4.176 8.185 162 HG3 GLU 20 3HG GLU 20 -1.627 -3.251 9.274 163 H ILE 21 H ILE 21 -3.441 -0.519 5.090 164 HA ILE 21 HA ILE 21 -1.968 1.952 5.544 165 HB ILE 21 HB ILE 21 -3.760 1.102 3.222 166 HG12 ILE 21 2HG1 ILE 21 -1.621 -0.133 3.336 167 HG13 ILE 21 3HG1 ILE 21 -1.641 0.930 1.937 168 HG21 ILE 21 1HG2 ILE 21 -2.897 3.085 1.990 169 HG22 ILE 21 2HG2 ILE 21 -2.111 3.646 3.468 170 HG23 ILE 21 3HG2 ILE 21 -3.871 3.539 3.390 171 HD11 ILE 21 3HD1 ILE 21 -0.203 1.466 4.540 172 HD12 ILE 21 1HD1 ILE 21 -0.200 2.518 3.120 173 HD13 ILE 21 2HD1 ILE 21 0.526 0.915 3.035 174 H ARG 22 H ARG 22 -5.422 1.016 5.285 175 HA ARG 22 HA ARG 22 -6.271 3.786 5.387 176 HB2 ARG 22 2HB ARG 22 -7.902 1.224 5.254 177 HB3 ARG 22 3HB ARG 22 -8.605 2.843 5.266 178 HG2 ARG 22 2HG ARG 22 -7.251 3.351 3.181 179 HG3 ARG 22 3HG ARG 22 -6.800 1.645 3.145 180 HD2 ARG 22 2HD ARG 22 -8.675 2.123 1.617 181 HD3 ARG 22 3HD ARG 22 -9.148 0.999 2.889 182 HE ARG 22 HE ARG 22 -10.748 2.478 3.512 183 HH11 ARG 22 1HH1 ARG 22 -8.295 4.396 1.836 184 HH12 ARG 22 2HH1 ARG 22 -9.211 5.861 1.948 185 HH21 ARG 22 1HH2 ARG 22 -11.928 4.408 3.609 186 HH22 ARG 22 2HH2 ARG 22 -11.264 5.870 2.948 187 H GLU 23 H GLU 23 -5.623 1.417 7.784 188 HA GLU 23 HA GLU 23 -7.501 2.286 9.773 189 HB2 GLU 23 2HB GLU 23 -6.201 0.984 11.371 190 HB3 GLU 23 3HB GLU 23 -6.348 0.064 9.879 191 HG2 GLU 23 2HG GLU 23 -4.065 0.535 9.263 192 HG3 GLU 23 3HG GLU 23 -3.888 1.686 10.584 193 H GLN 24 H GLN 24 -4.283 3.304 8.763 194 HA GLN 24 HA GLN 24 -4.042 5.303 10.897 195 HB2 GLN 24 2HB GLN 24 -2.110 4.613 8.626 196 HB3 GLN 24 3HB GLN 24 -1.767 5.658 10.005 197 HG2 GLN 24 2HG GLN 24 -1.950 3.743 11.533 198 HG3 GLN 24 3HG GLN 24 -2.378 2.692 10.182 199 HE21 GLN 24 1HE2 GLN 24 -0.617 1.328 10.511 200 HE22 GLN 24 2HE2 GLN 24 1.006 1.794 10.153 201 H TRP 25 H TRP 25 -4.370 5.043 7.369 202 HA TRP 25 HA TRP 25 -4.847 7.960 7.138 203 HB2 TRP 25 2HB TRP 25 -3.622 6.167 4.993 204 HB3 TRP 25 3HB TRP 25 -3.806 7.919 4.934 205 HD1 TRP 25 HD1 TRP 25 -2.171 9.331 6.710 206 HE1 TRP 25 HE1 TRP 25 0.188 8.760 7.552 207 HE3 TRP 25 HE3 TRP 25 -2.027 4.350 5.516 208 HZ2 TRP 25 HZ2 TRP 25 1.882 6.529 7.680 209 HZ3 TRP 25 HZ3 TRP 25 0.012 3.071 6.015 210 HH2 TRP 25 HH2 TRP 25 1.930 4.145 7.078 211 HA PRO 26 HA PRO 26 -8.783 5.880 5.689 212 HB2 PRO 26 2HB PRO 26 -10.443 7.936 6.476 213 HB3 PRO 26 3HB PRO 26 -9.895 6.661 7.584 214 HG2 PRO 26 2HG PRO 26 -8.774 9.433 7.216 215 HG3 PRO 26 3HG PRO 26 -9.178 8.575 8.726 216 HD2 PRO 26 2HD PRO 26 -6.637 8.693 7.842 217 HD3 PRO 26 3HD PRO 26 -7.264 7.227 8.632 218 H LYS 27 H LYS 27 -7.320 8.997 5.090 219 HA LYS 27 HA LYS 27 -8.980 9.699 2.818 220 HB2 LYS 27 2HB LYS 27 -7.577 11.655 2.623 221 HB3 LYS 27 3HB LYS 27 -7.960 11.410 4.322 222 HG2 LYS 27 2HG LYS 27 -5.726 10.452 4.710 223 HG3 LYS 27 3HG LYS 27 -5.329 10.645 3.004 224 HD2 LYS 27 2HD LYS 27 -5.916 12.894 4.972 225 HD3 LYS 27 3HD LYS 27 -4.328 12.442 4.353 226 HE2 LYS 27 2HE LYS 27 -5.009 13.087 2.081 227 HE3 LYS 27 3HE LYS 27 -6.625 13.497 2.663 228 HZ1 LYS 27 3HZ LYS 27 -4.107 14.820 3.546 229 HZ2 LYS 27 1HZ LYS 27 -5.672 15.234 4.031 230 HZ3 LYS 27 2HZ LYS 27 -5.202 15.457 2.425 231 H ALA 28 H ALA 28 -6.159 7.787 3.307 232 HA ALA 28 HA ALA 28 -4.759 8.192 0.896 233 HB1 ALA 28 3HB ALA 28 -4.820 5.720 2.667 234 HB2 ALA 28 1HB ALA 28 -3.726 7.093 2.832 235 HB3 ALA 28 2HB ALA 28 -3.622 6.055 1.413 236 H THR 29 H THR 29 -5.620 7.912 -1.064 237 HA THR 29 HA THR 29 -7.840 6.297 -1.688 238 HB THR 29 HB THR 29 -5.711 7.535 -3.492 239 HG1 THR 29 HG1 THR 29 -7.627 9.078 -3.719 240 HG21 THR 29 3HG2 THR 29 -7.410 7.454 -5.284 241 HG22 THR 29 1HG2 THR 29 -8.511 6.583 -4.211 242 HG23 THR 29 2HG2 THR 29 -7.000 5.831 -4.730 243 H VAL 30 H VAL 30 -7.646 4.149 -1.299 244 HA VAL 30 HA VAL 30 -5.401 2.607 -2.479 245 HB VAL 30 HB VAL 30 -7.405 1.730 -0.321 246 HG11 VAL 30 1HG1 VAL 30 -5.949 -0.241 -0.027 247 HG12 VAL 30 2HG1 VAL 30 -4.917 0.309 -1.348 248 HG13 VAL 30 3HG1 VAL 30 -6.585 -0.164 -1.671 249 HG21 VAL 30 3HG2 VAL 30 -5.883 3.442 0.568 250 HG22 VAL 30 1HG2 VAL 30 -4.483 2.525 0.004 251 HG23 VAL 30 2HG2 VAL 30 -5.518 1.868 1.276 252 H THR 31 H THR 31 -6.064 2.205 -4.497 253 HA THR 31 HA THR 31 -8.810 1.322 -5.088 254 HB THR 31 HB THR 31 -6.535 1.986 -6.998 255 HG1 THR 31 HG1 THR 31 -7.968 3.613 -5.537 256 HG21 THR 31 3HG2 THR 31 -9.493 1.563 -7.556 257 HG22 THR 31 1HG2 THR 31 -8.182 0.488 -8.057 258 HG23 THR 31 2HG2 THR 31 -8.299 2.114 -8.730 259 H ARG 32 H ARG 32 -8.936 -0.702 -4.458 260 HA ARG 32 HA ARG 32 -6.992 -2.755 -4.771 261 HB2 ARG 32 2HB ARG 32 -8.833 -2.730 -3.050 262 HB3 ARG 32 3HB ARG 32 -10.004 -2.989 -4.340 263 HG2 ARG 32 2HG ARG 32 -8.799 -5.166 -4.864 264 HG3 ARG 32 3HG ARG 32 -7.852 -4.904 -3.396 265 HD2 ARG 32 2HD ARG 32 -10.165 -4.712 -2.205 266 HD3 ARG 32 3HD ARG 32 -10.809 -5.467 -3.667 267 HE ARG 32 HE ARG 32 -9.104 -6.669 -1.636 268 HH11 ARG 32 1HH1 ARG 32 -10.617 -7.109 -4.795 269 HH12 ARG 32 2HH1 ARG 32 -10.451 -8.837 -4.751 270 HH21 ARG 32 1HH2 ARG 32 -8.950 -8.886 -1.563 271 HH22 ARG 32 2HH2 ARG 32 -9.502 -9.837 -2.902 272 H THR 33 H THR 33 -6.480 -3.790 -6.606 273 HA THR 33 HA THR 33 -8.412 -4.273 -8.716 274 HB THR 33 HB THR 33 -7.566 -2.151 -9.480 275 HG1 THR 33 HG1 THR 33 -7.234 -4.318 -10.858 276 HG21 THR 33 3HG2 THR 33 -5.171 -1.613 -9.756 277 HG22 THR 33 1HG2 THR 33 -4.735 -3.158 -9.018 278 HG23 THR 33 2HG2 THR 33 -5.566 -1.926 -8.065 279 H ASN 34 H ASN 34 -8.072 -6.364 -9.380 280 HA ASN 34 HA ASN 34 -6.268 -8.018 -7.975 281 HB2 ASN 34 2HB ASN 34 -7.777 -8.640 -10.546 282 HB3 ASN 34 3HB ASN 34 -6.957 -9.838 -9.544 283 HD21 ASN 34 1HD2 ASN 34 -8.860 -10.983 -9.096 284 HD22 ASN 34 2HD2 ASN 34 -10.105 -10.368 -8.070 285 H GLY 35 H GLY 35 -4.132 -8.042 -8.160 286 HA2 GLY 35 2HA GLY 35 -2.204 -8.551 -9.667 287 HA3 GLY 35 3HA GLY 35 -2.820 -7.295 -10.730 288 H ASP 36 H ASP 36 -3.501 -5.351 -8.731 289 HA ASP 36 HA ASP 36 -0.957 -4.652 -7.418 290 HB2 ASP 36 2HB ASP 36 -2.328 -2.831 -9.448 291 HB3 ASP 36 3HB ASP 36 -0.976 -2.357 -8.426 292 H ILE 37 H ILE 37 -1.194 -2.481 -6.260 293 HA ILE 37 HA ILE 37 -3.939 -1.793 -5.412 294 HB ILE 37 HB ILE 37 -1.438 -2.009 -3.652 295 HG12 ILE 37 2HG1 ILE 37 -2.762 -4.095 -3.845 296 HG13 ILE 37 3HG1 ILE 37 -2.821 -3.463 -2.207 297 HG21 ILE 37 1HG2 ILE 37 -2.450 0.147 -3.124 298 HG22 ILE 37 2HG2 ILE 37 -2.735 -0.977 -1.797 299 HG23 ILE 37 3HG2 ILE 37 -4.039 -0.601 -2.926 300 HD11 ILE 37 3HD1 ILE 37 -5.005 -3.253 -4.282 301 HD12 ILE 37 1HD1 ILE 37 -5.083 -2.591 -2.646 302 HD13 ILE 37 2HD1 ILE 37 -4.972 -4.334 -2.890 303 H LYS 38 H LYS 38 -4.286 0.160 -6.327 304 HA LYS 38 HA LYS 38 -2.066 1.949 -6.957 305 HB2 LYS 38 2HB LYS 38 -4.966 1.757 -7.743 306 HB3 LYS 38 3HB LYS 38 -4.270 3.366 -7.738 307 HG2 LYS 38 2HG LYS 38 -4.202 2.403 -9.972 308 HG3 LYS 38 3HG LYS 38 -2.570 2.661 -9.359 309 HD2 LYS 38 2HD LYS 38 -2.341 0.255 -8.888 310 HD3 LYS 38 3HD LYS 38 -4.008 -0.025 -9.403 311 HE2 LYS 38 2HE LYS 38 -3.425 0.702 -11.699 312 HE3 LYS 38 3HE LYS 38 -1.764 1.012 -11.182 313 HZ1 LYS 38 3HZ LYS 38 -1.472 -1.318 -10.729 314 HZ2 LYS 38 1HZ LYS 38 -2.032 -1.127 -12.309 315 HZ3 LYS 38 2HZ LYS 38 -3.090 -1.647 -11.102 316 H LEU 39 H LEU 39 -1.296 3.034 -5.245 317 HA LEU 39 HA LEU 39 -3.125 4.281 -3.270 318 HB2 LEU 39 2HB LEU 39 -1.871 2.416 -2.250 319 HB3 LEU 39 3HB LEU 39 -0.356 3.074 -2.841 320 HG LEU 39 HG LEU 39 -0.625 5.041 -1.310 321 HD11 LEU 39 1HD1 LEU 39 -3.065 3.590 -0.257 322 HD12 LEU 39 2HD1 LEU 39 -3.055 5.116 -1.146 323 HD13 LEU 39 3HD1 LEU 39 -2.324 5.026 0.454 324 HD21 LEU 39 3HD2 LEU 39 0.709 3.133 -0.557 325 HD22 LEU 39 1HD2 LEU 39 -0.733 2.352 0.102 326 HD23 LEU 39 2HD2 LEU 39 -0.143 3.863 0.801 327 H ASP 40 H ASP 40 -2.600 6.350 -2.578 328 HA ASP 40 HA ASP 40 -0.341 7.757 -3.883 329 HB2 ASP 40 2HB ASP 40 -3.207 8.743 -3.506 330 HB3 ASP 40 3HB ASP 40 -1.870 9.813 -3.911 331 H ALA 41 H ALA 41 1.032 8.429 -2.381 332 HA ALA 41 HA ALA 41 0.260 9.017 0.370 333 HB1 ALA 41 3HB ALA 41 2.970 9.186 -0.994 334 HB2 ALA 41 1HB ALA 41 2.367 7.817 -0.059 335 HB3 ALA 41 2HB ALA 41 2.673 9.361 0.737 336 H GLN 42 H GLN 42 1.077 11.067 1.348 337 HA GLN 42 HA GLN 42 0.201 13.352 -0.260 338 HB2 GLN 42 2HB GLN 42 0.932 13.273 2.704 339 HB3 GLN 42 3HB GLN 42 0.068 14.553 1.862 340 HG2 GLN 42 2HG GLN 42 -0.958 11.744 2.366 341 HG3 GLN 42 3HG GLN 42 -1.445 13.198 3.230 342 HE21 GLN 42 1HE2 GLN 42 -1.655 14.900 0.860 343 HE22 GLN 42 2HE2 GLN 42 -3.045 14.357 -0.008 344 H THR 43 H THR 43 3.003 12.421 1.739 345 HA THR 43 HA THR 43 4.783 14.293 0.288 346 HB THR 43 HB THR 43 5.944 14.848 2.400 347 HG1 THR 43 HG1 THR 43 4.342 14.039 4.304 348 HG21 THR 43 3HG2 THR 43 4.224 16.202 3.543 349 HG22 THR 43 1HG2 THR 43 2.948 15.304 2.719 350 HG23 THR 43 2HG2 THR 43 4.045 16.332 1.793 351 H GLU 44 H GLU 44 7.198 13.648 0.959 352 HA GLU 44 HA GLU 44 7.691 11.009 0.069 353 HB2 GLU 44 2HB GLU 44 9.625 12.902 1.495 354 HB3 GLU 44 3HB GLU 44 10.089 11.379 0.745 355 HG2 GLU 44 2HG GLU 44 10.688 13.081 -0.790 356 HG3 GLU 44 3HG GLU 44 9.252 12.299 -1.452 357 H LYS 45 H LYS 45 7.961 12.484 3.295 358 HA LYS 45 HA LYS 45 8.754 10.240 4.780 359 HB2 LYS 45 2HB LYS 45 8.800 12.559 5.673 360 HB3 LYS 45 3HB LYS 45 7.041 12.593 5.685 361 HG2 LYS 45 2HG LYS 45 7.147 10.618 7.331 362 HG3 LYS 45 3HG LYS 45 8.882 10.932 7.442 363 HD2 LYS 45 2HD LYS 45 7.761 12.040 9.297 364 HD3 LYS 45 3HD LYS 45 8.372 13.275 8.193 365 HE2 LYS 45 2HE LYS 45 6.096 13.467 7.198 366 HE3 LYS 45 3HE LYS 45 5.502 12.282 8.364 367 HZ1 LYS 45 3HZ LYS 45 6.028 13.777 10.146 368 HZ2 LYS 45 1HZ LYS 45 5.074 14.597 9.020 369 HZ3 LYS 45 2HZ LYS 45 6.736 14.884 9.089 370 H GLU 46 H GLU 46 5.547 11.459 3.894 371 HA GLU 46 HA GLU 46 3.949 9.683 5.368 372 HB2 GLU 46 2HB GLU 46 3.238 11.802 4.043 373 HB3 GLU 46 3HB GLU 46 3.189 10.766 2.625 374 HG2 GLU 46 2HG GLU 46 0.960 10.884 3.404 375 HG3 GLU 46 3HG GLU 46 1.541 9.296 3.899 376 H ALA 47 H ALA 47 5.100 9.497 1.984 377 HA ALA 47 HA ALA 47 4.298 6.950 1.300 378 HB1 ALA 47 3HB ALA 47 5.230 8.588 -0.272 379 HB2 ALA 47 1HB ALA 47 6.040 7.028 -0.411 380 HB3 ALA 47 2HB ALA 47 6.834 8.365 0.428 381 H GLU 48 H GLU 48 7.230 7.915 3.102 382 HA GLU 48 HA GLU 48 8.583 5.452 3.091 383 HB2 GLU 48 2HB GLU 48 8.608 7.522 5.335 384 HB3 GLU 48 3HB GLU 48 9.797 6.250 5.093 385 HG2 GLU 48 2HG GLU 48 9.309 8.604 3.264 386 HG3 GLU 48 3HG GLU 48 10.633 8.448 4.404 387 H LYS 49 H LYS 49 6.011 6.695 5.110 388 HA LYS 49 HA LYS 49 5.992 4.585 7.084 389 HB2 LYS 49 2HB LYS 49 3.886 6.685 6.393 390 HB3 LYS 49 3HB LYS 49 3.944 5.729 7.872 391 HG2 LYS 49 2HG LYS 49 5.854 6.898 8.686 392 HG3 LYS 49 3HG LYS 49 6.191 7.605 7.103 393 HD2 LYS 49 2HD LYS 49 5.216 9.303 8.563 394 HD3 LYS 49 3HD LYS 49 4.100 8.934 7.249 395 HE2 LYS 49 2HE LYS 49 2.902 7.377 8.857 396 HE3 LYS 49 3HE LYS 49 3.922 8.030 10.135 397 HZ1 LYS 49 3HZ LYS 49 1.752 9.112 9.978 398 HZ2 LYS 49 1HZ LYS 49 2.122 9.650 8.417 399 HZ3 LYS 49 2HZ LYS 49 3.023 10.198 9.739 400 H MET 50 H MET 50 3.960 5.570 4.404 401 HA MET 50 HA MET 50 1.989 3.589 4.441 402 HB2 MET 50 2HB MET 50 3.001 5.243 2.100 403 HB3 MET 50 3HB MET 50 1.669 4.105 1.933 404 HG2 MET 50 2HG MET 50 0.450 5.354 3.727 405 HG3 MET 50 3HG MET 50 1.749 6.551 3.705 406 HE1 MET 50 3HE MET 50 -0.197 8.411 3.270 407 HE2 MET 50 1HE MET 50 -1.421 7.141 3.212 408 HE3 MET 50 2HE MET 50 -1.310 8.320 1.906 409 H GLU 51 H GLU 51 4.773 3.600 2.140 410 HA GLU 51 HA GLU 51 4.495 0.987 1.222 411 HB2 GLU 51 2HB GLU 51 6.706 1.158 0.309 412 HB3 GLU 51 3HB GLU 51 5.997 2.766 0.231 413 HG2 GLU 51 2HG GLU 51 7.282 3.429 2.208 414 HG3 GLU 51 3HG GLU 51 7.991 1.824 2.315 415 H LYS 52 H LYS 52 5.836 2.112 4.192 416 HA LYS 52 HA LYS 52 7.311 -0.273 4.957 417 HB2 LYS 52 2HB LYS 52 7.914 1.956 5.882 418 HB3 LYS 52 3HB LYS 52 6.364 2.040 6.707 419 HG2 LYS 52 2HG LYS 52 7.018 0.063 8.082 420 HG3 LYS 52 3HG LYS 52 8.579 0.034 7.258 421 HD2 LYS 52 2HD LYS 52 8.804 1.138 9.439 422 HD3 LYS 52 3HD LYS 52 9.091 2.304 8.147 423 HE2 LYS 52 2HE LYS 52 6.792 3.179 8.430 424 HE3 LYS 52 3HE LYS 52 6.500 2.004 9.716 425 HZ1 LYS 52 3HZ LYS 52 8.273 3.047 11.007 426 HZ2 LYS 52 1HZ LYS 52 7.068 4.163 10.616 427 HZ3 LYS 52 2HZ LYS 52 8.530 4.176 9.774 428 H ALA 53 H ALA 53 4.088 1.060 5.600 429 HA ALA 53 HA ALA 53 3.181 -0.862 7.478 430 HB1 ALA 53 3HB ALA 53 2.084 1.325 7.179 431 HB2 ALA 53 1HB ALA 53 0.925 0.006 6.987 432 HB3 ALA 53 2HB ALA 53 1.550 0.850 5.566 433 H VAL 54 H VAL 54 3.013 -0.680 3.946 434 HA VAL 54 HA VAL 54 1.696 -3.090 3.370 435 HB VAL 54 HB VAL 54 3.946 -1.710 1.826 436 HG11 VAL 54 1HG1 VAL 54 1.896 -3.709 0.809 437 HG12 VAL 54 2HG1 VAL 54 3.618 -4.020 1.045 438 HG13 VAL 54 3HG1 VAL 54 3.092 -2.856 -0.170 439 HG21 VAL 54 3HG2 VAL 54 0.937 -1.370 1.560 440 HG22 VAL 54 1HG2 VAL 54 2.154 -0.615 0.526 441 HG23 VAL 54 2HG2 VAL 54 2.062 -0.191 2.236 442 H LYS 55 H LYS 55 5.162 -2.398 3.824 443 HA LYS 55 HA LYS 55 6.116 -5.043 3.545 444 HB2 LYS 55 2HB LYS 55 7.386 -2.637 4.902 445 HB3 LYS 55 3HB LYS 55 8.240 -4.150 4.583 446 HG2 LYS 55 2HG LYS 55 8.060 -3.859 2.201 447 HG3 LYS 55 3HG LYS 55 6.930 -2.515 2.386 448 HD2 LYS 55 2HD LYS 55 8.780 -1.213 3.514 449 HD3 LYS 55 3HD LYS 55 9.887 -2.527 3.106 450 HE2 LYS 55 2HE LYS 55 8.331 -0.824 1.125 451 HE3 LYS 55 3HE LYS 55 10.049 -0.679 1.491 452 HZ1 LYS 55 3HZ LYS 55 8.725 -3.023 0.243 453 HZ2 LYS 55 1HZ LYS 55 10.367 -2.928 0.639 454 HZ3 LYS 55 2HZ LYS 55 9.719 -1.900 -0.535 455 H LYS 56 H LYS 56 4.486 -3.601 6.220 456 HA LYS 56 HA LYS 56 5.383 -5.517 8.203 457 HB2 LYS 56 2HB LYS 56 2.866 -3.792 8.242 458 HB3 LYS 56 3HB LYS 56 3.552 -4.653 9.617 459 HG2 LYS 56 2HG LYS 56 4.727 -2.268 8.167 460 HG3 LYS 56 3HG LYS 56 4.100 -2.309 9.811 461 HD2 LYS 56 2HD LYS 56 6.591 -3.763 8.826 462 HD3 LYS 56 3HD LYS 56 6.578 -2.262 9.750 463 HE2 LYS 56 2HE LYS 56 5.518 -3.448 11.648 464 HE3 LYS 56 3HE LYS 56 5.547 -4.949 10.720 465 HZ1 LYS 56 3HZ LYS 56 7.392 -4.763 12.300 466 HZ2 LYS 56 1HZ LYS 56 7.957 -3.393 11.488 467 HZ3 LYS 56 2HZ LYS 56 7.935 -4.887 10.704 468 H VAL 57 H VAL 57 3.227 -5.646 5.565 469 HA VAL 57 HA VAL 57 1.924 -8.136 6.432 470 HB VAL 57 HB VAL 57 1.688 -6.656 3.757 471 HG11 VAL 57 1HG1 VAL 57 -0.066 -8.847 4.934 472 HG12 VAL 57 2HG1 VAL 57 1.055 -9.016 3.580 473 HG13 VAL 57 3HG1 VAL 57 -0.364 -7.983 3.423 474 HG21 VAL 57 3HG2 VAL 57 -0.451 -5.740 4.572 475 HG22 VAL 57 1HG2 VAL 57 0.901 -5.194 5.567 476 HG23 VAL 57 2HG2 VAL 57 -0.176 -6.463 6.159 477 H LYS 58 H LYS 58 4.557 -6.949 4.457 478 HA LYS 58 HA LYS 58 5.483 -9.502 3.648 479 HB2 LYS 58 2HB LYS 58 5.275 -9.091 1.125 480 HB3 LYS 58 3HB LYS 58 3.816 -9.582 1.972 481 HG2 LYS 58 2HG LYS 58 3.007 -7.257 1.923 482 HG3 LYS 58 3HG LYS 58 4.501 -6.753 1.119 483 HD2 LYS 58 2HD LYS 58 3.948 -8.294 -0.785 484 HD3 LYS 58 3HD LYS 58 2.419 -8.681 0.013 485 HE2 LYS 58 2HE LYS 58 1.824 -6.251 -0.111 486 HE3 LYS 58 3HE LYS 58 3.295 -5.986 -1.046 487 HZ1 LYS 58 3HZ LYS 58 1.166 -7.881 -1.828 488 HZ2 LYS 58 1HZ LYS 58 2.490 -7.404 -2.748 489 HZ3 LYS 58 2HZ LYS 58 1.266 -6.294 -2.394 490 HA PRO 59 HA PRO 59 8.836 -6.440 4.360 491 HB2 PRO 59 2HB PRO 59 10.553 -8.890 3.919 492 HB3 PRO 59 3HB PRO 59 10.574 -7.718 5.258 493 HG2 PRO 59 2HG PRO 59 9.528 -10.123 5.629 494 HG3 PRO 59 3HG PRO 59 8.735 -8.689 6.326 495 HD2 PRO 59 2HD PRO 59 7.975 -10.256 3.859 496 HD3 PRO 59 3HD PRO 59 6.936 -9.587 5.140 497 H ASN 60 H ASN 60 8.906 -8.785 1.699 498 HA ASN 60 HA ASN 60 10.844 -7.182 0.152 499 HB2 ASN 60 2HB ASN 60 11.205 -9.652 0.611 500 HB3 ASN 60 3HB ASN 60 9.775 -10.008 -0.341 501 HD21 ASN 60 1HD2 ASN 60 13.099 -8.916 -0.436 502 HD22 ASN 60 2HD2 ASN 60 13.337 -9.169 -2.133 503 H ALA 61 H ALA 61 7.931 -6.494 0.590 504 HA ALA 61 HA ALA 61 6.366 -6.606 -1.656 505 HB1 ALA 61 3HB ALA 61 6.757 -4.206 0.174 506 HB2 ALA 61 1HB ALA 61 5.674 -5.569 0.455 507 HB3 ALA 61 2HB ALA 61 5.373 -4.475 -0.893 508 H THR 62 H THR 62 6.933 -6.228 -3.712 509 HA THR 62 HA THR 62 8.760 -4.204 -4.617 510 HB THR 62 HB THR 62 6.731 -5.822 -6.233 511 HG1 THR 62 HG1 THR 62 8.032 -7.406 -5.713 512 HG21 THR 62 3HG2 THR 62 7.579 -3.837 -7.453 513 HG22 THR 62 1HG2 THR 62 8.199 -5.331 -8.161 514 HG23 THR 62 2HG2 THR 62 9.240 -4.344 -7.134 515 H ILE 63 H ILE 63 8.108 -2.153 -4.166 516 HA ILE 63 HA ILE 63 5.347 -1.284 -4.809 517 HB ILE 63 HB ILE 63 7.356 -0.179 -2.775 518 HG12 ILE 63 2HG1 ILE 63 4.667 -1.473 -2.176 519 HG13 ILE 63 3HG1 ILE 63 6.126 -2.440 -2.325 520 HG21 ILE 63 1HG2 ILE 63 5.972 1.652 -3.698 521 HG22 ILE 63 2HG2 ILE 63 5.538 1.331 -2.019 522 HG23 ILE 63 3HG2 ILE 63 4.501 0.748 -3.323 523 HD11 ILE 63 3HD1 ILE 63 5.624 -2.032 -0.041 524 HD12 ILE 63 1HD1 ILE 63 5.587 -0.290 -0.301 525 HD13 ILE 63 2HD1 ILE 63 7.104 -1.177 -0.468 526 H ARG 64 H ARG 64 5.195 0.075 -6.454 527 HA ARG 64 HA ARG 64 7.542 1.034 -7.892 528 HB2 ARG 64 2HB ARG 64 4.571 1.109 -8.626 529 HB3 ARG 64 3HB ARG 64 5.885 1.608 -9.686 530 HG2 ARG 64 2HG ARG 64 5.403 -1.202 -8.649 531 HG3 ARG 64 3HG ARG 64 5.042 -0.623 -10.276 532 HD2 ARG 64 2HD ARG 64 7.495 -0.180 -10.603 533 HD3 ARG 64 3HD ARG 64 7.796 -0.887 -9.011 534 HE ARG 64 HE ARG 64 6.341 -2.615 -10.814 535 HH11 ARG 64 1HH1 ARG 64 9.573 -1.628 -9.788 536 HH12 ARG 64 2HH1 ARG 64 10.325 -3.089 -10.349 537 HH21 ARG 64 1HH2 ARG 64 7.349 -4.510 -11.564 538 HH22 ARG 64 2HH2 ARG 64 9.060 -4.728 -11.358 539 H LYS 65 H LYS 65 8.315 2.915 -7.126 540 HA LYS 65 HA LYS 65 6.475 4.932 -5.982 541 HB2 LYS 65 2HB LYS 65 8.203 3.860 -4.464 542 HB3 LYS 65 3HB LYS 65 9.463 4.583 -5.461 543 HG2 LYS 65 2HG LYS 65 8.763 6.822 -4.840 544 HG3 LYS 65 3HG LYS 65 7.337 6.193 -4.002 545 HD2 LYS 65 2HD LYS 65 8.920 4.952 -2.443 546 HD3 LYS 65 3HD LYS 65 10.252 5.829 -3.202 547 HE2 LYS 65 2HE LYS 65 9.308 7.959 -2.449 548 HE3 LYS 65 3HE LYS 65 7.909 7.118 -1.767 549 HZ1 LYS 65 3HZ LYS 65 10.729 6.773 -0.895 550 HZ2 LYS 65 1HZ LYS 65 9.398 5.952 -0.256 551 HZ3 LYS 65 2HZ LYS 65 9.532 7.625 -0.059 552 H THR 66 H THR 66 6.029 6.380 -7.523 553 HA THR 66 HA THR 66 8.196 7.484 -9.241 554 HB THR 66 HB THR 66 5.205 7.183 -9.803 555 HG1 THR 66 HG1 THR 66 6.988 5.405 -10.002 556 HG21 THR 66 3HG2 THR 66 7.356 8.379 -11.606 557 HG22 THR 66 1HG2 THR 66 6.006 9.256 -10.874 558 HG23 THR 66 2HG2 THR 66 5.699 8.018 -12.090 559 H GLY 67 H GLY 67 8.286 9.734 -9.502 560 HA2 GLY 67 2HA GLY 67 7.824 11.966 -9.214 561 HA3 GLY 67 3HA GLY 67 6.326 11.541 -8.402 562 H GLY 68 H GLY 68 6.252 11.730 -6.202 563 HA2 GLY 68 2HA GLY 68 6.900 12.157 -4.043 564 HA3 GLY 68 3HA GLY 68 8.528 11.631 -4.453 565 H SER 69 H SER 69 9.972 13.170 -5.409 566 HA SER 69 HA SER 69 9.246 15.946 -5.773 567 HB2 SER 69 2HB SER 69 11.130 15.106 -3.520 568 HB3 SER 69 3HB SER 69 11.135 16.736 -4.201 569 HG SER 69 HG SER 69 8.944 15.417 -2.966 570 H LEU 70 H LEU 70 10.668 17.004 -7.115 571 HA LEU 70 HA LEU 70 12.831 15.589 -8.419 572 HB2 LEU 70 2HB LEU 70 11.944 18.514 -8.610 573 HB3 LEU 70 3HB LEU 70 13.244 17.816 -9.552 574 HG LEU 70 HG LEU 70 11.332 17.989 -10.990 575 HD11 LEU 70 1HD1 LEU 70 11.633 15.087 -10.185 576 HD12 LEU 70 2HD1 LEU 70 12.647 15.973 -11.325 577 HD13 LEU 70 3HD1 LEU 70 10.952 15.680 -11.704 578 HD21 LEU 70 3HD2 LEU 70 9.554 18.181 -9.315 579 HD22 LEU 70 1HD2 LEU 70 9.702 16.464 -8.933 580 HD23 LEU 70 2HD2 LEU 70 9.137 16.971 -10.527 581 H GLU 71 H GLU 71 14.138 15.073 -6.688 582 HA GLU 71 HA GLU 71 14.936 16.873 -4.644 583 HB2 GLU 71 2HB GLU 71 14.756 14.435 -4.310 584 HB3 GLU 71 3HB GLU 71 16.076 14.161 -5.441 585 HG2 GLU 71 2HG GLU 71 17.676 15.132 -3.947 586 HG3 GLU 71 3HG GLU 71 16.416 15.753 -2.880 587 H HIS 72 H HIS 72 16.032 18.624 -5.264 588 HA HIS 72 HA HIS 72 17.794 18.845 -7.464 589 HB2 HIS 72 2HB HIS 72 17.265 20.681 -5.098 590 HB3 HIS 72 3HB HIS 72 18.355 21.119 -6.411 591 HD1 HIS 72 HD1 HIS 72 17.255 21.400 -8.805 592 HD2 HIS 72 HD2 HIS 72 14.558 21.003 -5.667 593 HE1 HIS 72 HE1 HIS 72 15.029 22.090 -9.735 594 HE2 HIS 72 HE2 HIS 72 13.411 21.814 -7.836 595 H HIS 73 H HIS 73 19.822 18.320 -7.671 596 HA HIS 73 HA HIS 73 21.097 16.742 -5.680 597 HB2 HIS 73 2HB HIS 73 21.106 16.459 -8.265 598 HB3 HIS 73 3HB HIS 73 22.391 17.658 -8.276 599 HD1 HIS 73 HD1 HIS 73 21.613 14.152 -7.179 600 HD2 HIS 73 HD2 HIS 73 24.905 16.665 -7.546 601 HE1 HIS 73 HE1 HIS 73 23.623 12.684 -6.864 602 HE2 HIS 73 HE2 HIS 73 25.588 14.245 -6.954 603 H HIS 74 H HIS 74 21.513 20.081 -6.723 604 HA HIS 74 HA HIS 74 24.026 20.537 -5.412 605 HB2 HIS 74 2HB HIS 74 21.859 22.476 -6.304 606 HB3 HIS 74 3HB HIS 74 23.370 23.007 -5.571 607 HD1 HIS 74 HD1 HIS 74 25.261 23.407 -7.150 608 HD2 HIS 74 HD2 HIS 74 22.322 21.019 -8.849 609 HE1 HIS 74 HE1 HIS 74 25.955 23.085 -9.544 610 HE2 HIS 74 HE2 HIS 74 24.049 21.806 -10.583 611 H HIS 75 H HIS 75 20.717 20.482 -4.322 612 HA HIS 75 HA HIS 75 21.426 21.465 -1.629 613 HB2 HIS 75 2HB HIS 75 19.366 22.355 -2.836 614 HB3 HIS 75 3HB HIS 75 18.670 20.742 -2.741 615 HD1 HIS 75 HD1 HIS 75 16.800 21.040 -1.088 616 HD2 HIS 75 HD2 HIS 75 20.308 22.839 0.220 617 HE1 HIS 75 HE1 HIS 75 16.328 21.813 1.256 618 HE2 HIS 75 HE2 HIS 75 18.403 23.062 1.939 619 H HIS 76 H HIS 76 21.806 18.657 -3.132 620 HA HIS 76 HA HIS 76 20.860 16.926 -0.914 621 HB2 HIS 76 2HB HIS 76 19.858 16.366 -3.110 622 HB3 HIS 76 3HB HIS 76 21.460 16.196 -3.821 623 HD1 HIS 76 HD1 HIS 76 22.261 13.836 -3.921 624 HD2 HIS 76 HD2 HIS 76 19.519 14.402 -0.850 625 HE1 HIS 76 HE1 HIS 76 21.913 11.573 -2.898 626 HE2 HIS 76 HE2 HIS 76 20.068 11.915 -1.232 627 H HIS 77 H HIS 77 22.374 15.862 0.261 628 HA HIS 77 HA HIS 77 25.125 16.454 -0.031 629 HB2 HIS 77 2HB HIS 77 25.531 15.083 1.919 630 HB3 HIS 77 3HB HIS 77 24.036 15.967 2.174 631 HD1 HIS 77 HD1 HIS 77 21.802 14.530 2.114 632 HD2 HIS 77 HD2 HIS 77 25.323 12.315 2.068 633 HE1 HIS 77 HE1 HIS 77 21.133 12.179 2.660 634 HE2 HIS 77 HE2 HIS 77 23.294 10.906 2.802 Start of MODEL 2 1 H1 MET 1 1H MET 1 0.823 14.444 -3.810 2 H2 MET 1 2H MET 1 0.631 13.082 -2.831 3 H3 MET 1 3H MET 1 -0.659 14.145 -3.056 4 HA MET 1 HA MET 1 -0.974 12.166 -4.340 5 HB2 MET 1 2HB MET 1 -1.671 14.494 -5.203 6 HB3 MET 1 3HB MET 1 -0.250 14.449 -6.230 7 HG2 MET 1 2HG MET 1 -2.538 12.468 -6.339 8 HG3 MET 1 3HG MET 1 -2.345 13.845 -7.413 9 HE1 MET 1 3HE MET 1 -1.053 10.223 -6.466 10 HE2 MET 1 1HE MET 1 -0.791 9.693 -8.128 11 HE3 MET 1 2HE MET 1 -2.377 10.283 -7.632 12 H VAL 2 H VAL 2 0.873 10.830 -3.850 13 HA VAL 2 HA VAL 2 2.744 10.572 -6.146 14 HB VAL 2 HB VAL 2 3.213 9.515 -3.304 15 HG11 VAL 2 1HG1 VAL 2 5.077 9.580 -5.712 16 HG12 VAL 2 2HG1 VAL 2 4.289 8.146 -5.050 17 HG13 VAL 2 3HG1 VAL 2 5.498 9.002 -4.096 18 HG21 VAL 2 3HG2 VAL 2 3.322 11.980 -3.330 19 HG22 VAL 2 1HG2 VAL 2 4.500 11.923 -4.643 20 HG23 VAL 2 2HG2 VAL 2 4.916 11.278 -3.053 21 H ASP 3 H ASP 3 2.776 8.561 -7.116 22 HA ASP 3 HA ASP 3 0.579 6.713 -6.432 23 HB2 ASP 3 2HB ASP 3 0.705 7.405 -8.808 24 HB3 ASP 3 3HB ASP 3 2.356 6.801 -8.918 25 H LEU 4 H LEU 4 1.163 5.199 -5.010 26 HA LEU 4 HA LEU 4 3.852 3.964 -5.132 27 HB2 LEU 4 2HB LEU 4 1.732 3.726 -2.948 28 HB3 LEU 4 3HB LEU 4 3.361 3.075 -2.886 29 HG LEU 4 HG LEU 4 2.602 6.025 -2.837 30 HD11 LEU 4 1HD1 LEU 4 3.491 5.996 -0.547 31 HD12 LEU 4 2HD1 LEU 4 3.796 4.263 -0.674 32 HD13 LEU 4 3HD1 LEU 4 2.144 4.875 -0.728 33 HD21 LEU 4 3HD2 LEU 4 5.378 4.790 -2.757 34 HD22 LEU 4 1HD2 LEU 4 5.004 6.498 -2.504 35 HD23 LEU 4 2HD2 LEU 4 4.703 5.753 -4.072 36 H LYS 5 H LYS 5 3.769 2.337 -6.559 37 HA LYS 5 HA LYS 5 1.396 0.604 -6.769 38 HB2 LYS 5 2HB LYS 5 2.303 1.758 -8.813 39 HB3 LYS 5 3HB LYS 5 3.811 0.890 -8.620 40 HG2 LYS 5 2HG LYS 5 1.175 -0.545 -9.045 41 HG3 LYS 5 3HG LYS 5 2.148 0.047 -10.384 42 HD2 LYS 5 2HD LYS 5 3.994 -1.430 -8.854 43 HD3 LYS 5 3HD LYS 5 2.513 -2.378 -8.729 44 HE2 LYS 5 2HE LYS 5 3.876 -1.514 -11.298 45 HE3 LYS 5 3HE LYS 5 3.889 -3.132 -10.606 46 HZ1 LYS 5 3HZ LYS 5 2.298 -2.858 -12.424 47 HZ2 LYS 5 1HZ LYS 5 1.444 -1.724 -11.505 48 HZ3 LYS 5 2HZ LYS 5 1.564 -3.324 -10.979 49 H ILE 6 H ILE 6 1.521 -1.092 -5.445 50 HA ILE 6 HA ILE 6 4.107 -2.450 -4.941 51 HB ILE 6 HB ILE 6 1.596 -2.628 -3.184 52 HG12 ILE 6 2HG1 ILE 6 3.168 -1.364 -1.466 53 HG13 ILE 6 3HG1 ILE 6 4.030 -0.819 -2.895 54 HG21 ILE 6 1HG2 ILE 6 4.439 -3.613 -2.682 55 HG22 ILE 6 2HG2 ILE 6 3.061 -4.623 -3.118 56 HG23 ILE 6 3HG2 ILE 6 3.073 -3.775 -1.578 57 HD11 ILE 6 3HD1 ILE 6 1.994 0.286 -3.695 58 HD12 ILE 6 1HD1 ILE 6 2.468 0.853 -2.093 59 HD13 ILE 6 2HD1 ILE 6 1.124 -0.277 -2.265 60 H ASP 7 H ASP 7 4.224 -4.616 -5.590 61 HA ASP 7 HA ASP 7 2.119 -5.930 -6.992 62 HB2 ASP 7 2HB ASP 7 4.357 -6.678 -7.444 63 HB3 ASP 7 3HB ASP 7 4.728 -6.890 -5.739 64 H VAL 8 H VAL 8 0.554 -7.390 -6.238 65 HA VAL 8 HA VAL 8 0.971 -8.663 -3.618 66 HB VAL 8 HB VAL 8 -1.612 -8.704 -3.295 67 HG11 VAL 8 1HG1 VAL 8 -0.078 -7.497 -1.803 68 HG12 VAL 8 2HG1 VAL 8 -1.594 -6.619 -2.001 69 HG13 VAL 8 3HG1 VAL 8 -0.145 -6.080 -2.855 70 HG21 VAL 8 3HG2 VAL 8 -2.877 -6.800 -4.207 71 HG22 VAL 8 1HG2 VAL 8 -2.232 -7.797 -5.511 72 HG23 VAL 8 2HG2 VAL 8 -1.458 -6.266 -5.108 73 H SER 9 H SER 9 0.941 -10.753 -3.799 74 HA SER 9 HA SER 9 0.474 -12.085 -6.294 75 HB2 SER 9 2HB SER 9 2.335 -12.697 -4.711 76 HB3 SER 9 3HB SER 9 1.137 -13.291 -3.560 77 HG SER 9 HG SER 9 1.081 -14.274 -6.188 78 H ASP 10 H ASP 10 -1.138 -11.926 -3.150 79 HA ASP 10 HA ASP 10 -3.240 -13.809 -4.052 80 HB2 ASP 10 2HB ASP 10 -1.952 -14.526 -2.077 81 HB3 ASP 10 3HB ASP 10 -2.323 -13.027 -1.253 82 H ASP 11 H ASP 11 -5.429 -13.379 -3.295 83 HA ASP 11 HA ASP 11 -6.322 -10.764 -4.104 84 HB2 ASP 11 2HB ASP 11 -7.913 -13.124 -2.985 85 HB3 ASP 11 3HB ASP 11 -8.618 -11.710 -3.757 86 H GLU 12 H GLU 12 -6.807 -12.658 -1.102 87 HA GLU 12 HA GLU 12 -7.907 -10.535 0.420 88 HB2 GLU 12 2HB GLU 12 -8.196 -12.977 0.945 89 HB3 GLU 12 3HB GLU 12 -6.520 -13.032 1.488 90 HG2 GLU 12 2HG GLU 12 -7.059 -11.334 3.231 91 HG3 GLU 12 3HG GLU 12 -8.742 -11.361 2.705 92 H GLU 13 H GLU 13 -4.592 -11.622 -0.094 93 HA GLU 13 HA GLU 13 -3.143 -10.123 1.738 94 HB2 GLU 13 2HB GLU 13 -2.229 -11.834 0.206 95 HB3 GLU 13 3HB GLU 13 -2.474 -10.751 -1.157 96 HG2 GLU 13 2HG GLU 13 -0.834 -9.164 -0.091 97 HG3 GLU 13 3HG GLU 13 -0.521 -10.398 1.134 98 H ALA 14 H ALA 14 -4.486 -9.136 -1.398 99 HA ALA 14 HA ALA 14 -3.461 -6.511 -1.525 100 HB1 ALA 14 3HB ALA 14 -6.105 -7.552 -2.636 101 HB2 ALA 14 1HB ALA 14 -4.539 -7.630 -3.449 102 HB3 ALA 14 2HB ALA 14 -5.286 -6.066 -3.128 103 H GLU 15 H GLU 15 -6.442 -7.830 -0.112 104 HA GLU 15 HA GLU 15 -7.614 -5.422 0.772 105 HB2 GLU 15 2HB GLU 15 -7.938 -8.296 1.726 106 HB3 GLU 15 3HB GLU 15 -8.934 -6.968 2.315 107 HG2 GLU 15 2HG GLU 15 -8.757 -7.958 -0.537 108 HG3 GLU 15 3HG GLU 15 -10.103 -8.197 0.574 109 H LYS 16 H LYS 16 -5.323 -7.643 2.280 110 HA LYS 16 HA LYS 16 -5.148 -6.619 4.859 111 HB2 LYS 16 2HB LYS 16 -2.952 -7.772 3.090 112 HB3 LYS 16 3HB LYS 16 -2.711 -7.382 4.782 113 HG2 LYS 16 2HG LYS 16 -4.713 -9.410 3.766 114 HG3 LYS 16 3HG LYS 16 -3.090 -9.796 4.348 115 HD2 LYS 16 2HD LYS 16 -3.704 -8.769 6.567 116 HD3 LYS 16 3HD LYS 16 -5.355 -8.567 5.972 117 HE2 LYS 16 2HE LYS 16 -3.880 -11.196 6.343 118 HE3 LYS 16 3HE LYS 16 -5.206 -10.581 7.332 119 HZ1 LYS 16 3HZ LYS 16 -5.986 -12.211 5.755 120 HZ2 LYS 16 1HZ LYS 16 -5.379 -11.305 4.463 121 HZ3 LYS 16 2HZ LYS 16 -6.646 -10.699 5.400 122 H ILE 17 H ILE 17 -3.288 -5.715 1.940 123 HA ILE 17 HA ILE 17 -1.609 -3.802 3.121 124 HB ILE 17 HB ILE 17 -2.480 -3.919 0.192 125 HG12 ILE 17 2HG1 ILE 17 -1.608 -6.090 0.787 126 HG13 ILE 17 3HG1 ILE 17 -0.368 -5.272 -0.142 127 HG21 ILE 17 1HG2 ILE 17 -0.315 -2.820 -0.301 128 HG22 ILE 17 2HG2 ILE 17 0.003 -2.659 1.426 129 HG23 ILE 17 3HG2 ILE 17 -1.355 -1.802 0.698 130 HD11 ILE 17 3HD1 ILE 17 0.833 -4.787 1.975 131 HD12 ILE 17 1HD1 ILE 17 0.615 -6.508 1.661 132 HD13 ILE 17 2HD1 ILE 17 -0.404 -5.698 2.846 133 H ILE 18 H ILE 18 -4.754 -3.449 1.539 134 HA ILE 18 HA ILE 18 -4.966 -0.628 1.445 135 HB ILE 18 HB ILE 18 -7.251 -2.635 1.801 136 HG12 ILE 18 2HG1 ILE 18 -6.080 -1.500 -0.789 137 HG13 ILE 18 3HG1 ILE 18 -5.853 -3.143 -0.209 138 HG21 ILE 18 1HG2 ILE 18 -7.964 -0.320 2.296 139 HG22 ILE 18 2HG2 ILE 18 -8.704 -0.889 0.802 140 HG23 ILE 18 3HG2 ILE 18 -7.334 0.220 0.739 141 HD11 ILE 18 3HD1 ILE 18 -8.248 -3.558 -0.458 142 HD12 ILE 18 1HD1 ILE 18 -7.501 -3.054 -1.973 143 HD13 ILE 18 2HD1 ILE 18 -8.471 -1.909 -1.047 144 H ARG 19 H ARG 19 -5.917 -3.005 3.907 145 HA ARG 19 HA ARG 19 -6.875 -1.119 5.843 146 HB2 ARG 19 2HB ARG 19 -6.138 -4.066 6.049 147 HB3 ARG 19 3HB ARG 19 -6.862 -3.150 7.373 148 HG2 ARG 19 2HG ARG 19 -8.911 -2.846 6.192 149 HG3 ARG 19 3HG ARG 19 -8.204 -3.358 4.660 150 HD2 ARG 19 2HD ARG 19 -7.999 -5.661 5.514 151 HD3 ARG 19 3HD ARG 19 -8.658 -5.153 7.067 152 HE ARG 19 HE ARG 19 -10.729 -5.416 6.203 153 HH11 ARG 19 1HH1 ARG 19 -8.665 -4.765 3.413 154 HH12 ARG 19 2HH1 ARG 19 -9.961 -4.970 2.276 155 HH21 ARG 19 1HH2 ARG 19 -12.370 -5.691 4.684 156 HH22 ARG 19 2HH2 ARG 19 -12.041 -5.489 2.993 157 H GLU 20 H GLU 20 -3.674 -2.464 5.161 158 HA GLU 20 HA GLU 20 -2.429 -1.843 7.667 159 HB2 GLU 20 2HB GLU 20 -1.123 -2.088 4.910 160 HB3 GLU 20 3HB GLU 20 -0.260 -2.051 6.441 161 HG2 GLU 20 2HG GLU 20 -2.144 -4.209 5.504 162 HG3 GLU 20 3HG GLU 20 -0.393 -4.308 5.550 163 H ILE 21 H ILE 21 -2.945 -0.105 4.674 164 HA ILE 21 HA ILE 21 -1.471 2.249 5.431 165 HB ILE 21 HB ILE 21 -3.646 1.977 3.299 166 HG12 ILE 21 2HG1 ILE 21 -1.890 0.384 2.766 167 HG13 ILE 21 3HG1 ILE 21 -1.734 1.745 1.668 168 HG21 ILE 21 1HG2 ILE 21 -2.611 3.983 2.288 169 HG22 ILE 21 2HG2 ILE 21 -1.480 4.086 3.635 170 HG23 ILE 21 3HG2 ILE 21 -3.207 4.314 3.915 171 HD11 ILE 21 3HD1 ILE 21 0.428 0.970 2.400 172 HD12 ILE 21 1HD1 ILE 21 -0.016 1.195 4.089 173 HD13 ILE 21 2HD1 ILE 21 0.142 2.593 3.022 174 H ARG 22 H ARG 22 -4.839 1.155 5.603 175 HA ARG 22 HA ARG 22 -5.801 3.821 6.270 176 HB2 ARG 22 2HB ARG 22 -7.241 1.251 5.598 177 HB3 ARG 22 3HB ARG 22 -8.101 2.671 6.203 178 HG2 ARG 22 2HG ARG 22 -7.166 4.017 4.334 179 HG3 ARG 22 3HG ARG 22 -6.380 2.572 3.700 180 HD2 ARG 22 2HD ARG 22 -8.474 1.569 3.135 181 HD3 ARG 22 3HD ARG 22 -9.381 2.767 4.076 182 HE ARG 22 HE ARG 22 -7.886 4.137 2.155 183 HH11 ARG 22 1HH1 ARG 22 -10.615 1.903 2.171 184 HH12 ARG 22 2HH1 ARG 22 -11.295 2.558 0.710 185 HH21 ARG 22 1HH2 ARG 22 -8.849 5.051 0.352 186 HH22 ARG 22 2HH2 ARG 22 -10.292 4.354 -0.322 187 H GLU 23 H GLU 23 -4.742 1.171 8.110 188 HA GLU 23 HA GLU 23 -6.292 1.627 10.478 189 HB2 GLU 23 2HB GLU 23 -4.485 0.380 11.652 190 HB3 GLU 23 3HB GLU 23 -4.997 -0.458 10.190 191 HG2 GLU 23 2HG GLU 23 -3.036 0.337 8.992 192 HG3 GLU 23 3HG GLU 23 -2.528 1.282 10.385 193 H GLN 24 H GLN 24 -3.438 3.084 9.059 194 HA GLN 24 HA GLN 24 -2.947 4.853 11.369 195 HB2 GLN 24 2HB GLN 24 -1.279 4.383 8.849 196 HB3 GLN 24 3HB GLN 24 -0.802 5.370 10.228 197 HG2 GLN 24 2HG GLN 24 -0.737 3.407 11.678 198 HG3 GLN 24 3HG GLN 24 -1.351 2.389 10.382 199 HE21 GLN 24 1HE2 GLN 24 1.088 2.067 11.912 200 HE22 GLN 24 2HE2 GLN 24 2.392 2.092 10.782 201 H TRP 25 H TRP 25 -3.728 4.935 7.902 202 HA TRP 25 HA TRP 25 -4.629 7.755 8.130 203 HB2 TRP 25 2HB TRP 25 -3.412 6.593 5.579 204 HB3 TRP 25 3HB TRP 25 -3.822 8.271 5.913 205 HD1 TRP 25 HD1 TRP 25 -2.073 9.634 7.535 206 HE1 TRP 25 HE1 TRP 25 0.426 9.240 7.992 207 HE3 TRP 25 HE3 TRP 25 -1.684 4.846 5.832 208 HZ2 TRP 25 HZ2 TRP 25 2.316 7.169 7.671 209 HZ3 TRP 25 HZ3 TRP 25 0.486 3.709 5.946 210 HH2 TRP 25 HH2 TRP 25 2.440 4.854 6.852 211 HA PRO 26 HA PRO 26 -8.270 5.225 6.583 212 HB2 PRO 26 2HB PRO 26 -10.151 6.899 7.751 213 HB3 PRO 26 3HB PRO 26 -9.419 5.516 8.584 214 HG2 PRO 26 2HG PRO 26 -8.672 8.417 8.760 215 HG3 PRO 26 3HG PRO 26 -8.856 7.225 10.068 216 HD2 PRO 26 2HD PRO 26 -6.423 7.904 9.133 217 HD3 PRO 26 3HD PRO 26 -6.781 6.233 9.636 218 H LYS 27 H LYS 27 -7.231 8.492 6.449 219 HA LYS 27 HA LYS 27 -9.018 9.415 4.347 220 HB2 LYS 27 2HB LYS 27 -7.861 11.557 4.682 221 HB3 LYS 27 3HB LYS 27 -8.352 10.884 6.233 222 HG2 LYS 27 2HG LYS 27 -6.023 10.047 6.579 223 HG3 LYS 27 3HG LYS 27 -5.553 10.810 5.056 224 HD2 LYS 27 2HD LYS 27 -6.380 13.023 6.084 225 HD3 LYS 27 3HD LYS 27 -6.453 12.159 7.624 226 HE2 LYS 27 2HE LYS 27 -4.342 13.357 7.457 227 HE3 LYS 27 3HE LYS 27 -4.026 11.621 7.396 228 HZ1 LYS 27 3HZ LYS 27 -2.744 12.846 5.742 229 HZ2 LYS 27 1HZ LYS 27 -4.164 13.429 5.034 230 HZ3 LYS 27 2HZ LYS 27 -3.815 11.776 4.995 231 H ALA 28 H ALA 28 -7.197 7.168 3.585 232 HA ALA 28 HA ALA 28 -5.190 8.488 1.867 233 HB1 ALA 28 3HB ALA 28 -4.005 7.262 3.639 234 HB2 ALA 28 1HB ALA 28 -3.773 6.467 2.081 235 HB3 ALA 28 2HB ALA 28 -4.905 5.795 3.260 236 H THR 29 H THR 29 -5.917 8.277 -0.255 237 HA THR 29 HA THR 29 -8.041 6.497 -0.921 238 HB THR 29 HB THR 29 -6.243 8.205 -2.709 239 HG1 THR 29 HG1 THR 29 -8.247 8.851 -0.958 240 HG21 THR 29 3HG2 THR 29 -9.014 7.058 -3.269 241 HG22 THR 29 1HG2 THR 29 -7.511 6.518 -4.017 242 HG23 THR 29 2HG2 THR 29 -8.116 8.146 -4.331 243 H VAL 30 H VAL 30 -7.610 4.333 -1.034 244 HA VAL 30 HA VAL 30 -5.188 3.395 -2.481 245 HB VAL 30 HB VAL 30 -6.930 1.616 -0.690 246 HG11 VAL 30 1HG1 VAL 30 -4.966 0.121 -0.719 247 HG12 VAL 30 2HG1 VAL 30 -4.085 1.273 -1.722 248 HG13 VAL 30 3HG1 VAL 30 -5.520 0.468 -2.358 249 HG21 VAL 30 3HG2 VAL 30 -4.392 3.040 0.200 250 HG22 VAL 30 1HG2 VAL 30 -5.297 1.847 1.137 251 HG23 VAL 30 2HG2 VAL 30 -6.023 3.410 0.757 252 H THR 31 H THR 31 -5.730 2.894 -4.571 253 HA THR 31 HA THR 31 -8.441 2.124 -5.297 254 HB THR 31 HB THR 31 -5.968 2.628 -7.032 255 HG1 THR 31 HG1 THR 31 -8.064 4.500 -6.775 256 HG21 THR 31 3HG2 THR 31 -7.578 2.947 -8.869 257 HG22 THR 31 1HG2 THR 31 -8.919 2.576 -7.784 258 HG23 THR 31 2HG2 THR 31 -7.736 1.329 -8.187 259 H ARG 32 H ARG 32 -8.938 0.021 -5.702 260 HA ARG 32 HA ARG 32 -6.976 -2.056 -5.169 261 HB2 ARG 32 2HB ARG 32 -9.174 -2.210 -4.103 262 HB3 ARG 32 3HB ARG 32 -9.983 -2.083 -5.659 263 HG2 ARG 32 2HG ARG 32 -9.033 -4.297 -6.304 264 HG3 ARG 32 3HG ARG 32 -8.308 -4.428 -4.698 265 HD2 ARG 32 2HD ARG 32 -10.459 -5.672 -4.897 266 HD3 ARG 32 3HD ARG 32 -10.512 -4.418 -3.653 267 HE ARG 32 HE ARG 32 -11.468 -3.403 -6.121 268 HH11 ARG 32 1HH1 ARG 32 -12.498 -5.560 -3.534 269 HH12 ARG 32 2HH1 ARG 32 -14.184 -5.265 -3.804 270 HH21 ARG 32 1HH2 ARG 32 -13.672 -2.971 -6.409 271 HH22 ARG 32 2HH2 ARG 32 -14.846 -3.797 -5.435 272 H THR 33 H THR 33 -6.057 -3.285 -6.706 273 HA THR 33 HA THR 33 -7.071 -3.402 -9.461 274 HB THR 33 HB THR 33 -4.597 -3.171 -10.248 275 HG1 THR 33 HG1 THR 33 -4.071 -3.097 -7.761 276 HG21 THR 33 3HG2 THR 33 -4.651 -0.704 -10.345 277 HG22 THR 33 1HG2 THR 33 -5.918 -0.669 -9.116 278 HG23 THR 33 2HG2 THR 33 -6.244 -1.372 -10.702 279 H ASN 34 H ASN 34 -6.951 -5.560 -10.178 280 HA ASN 34 HA ASN 34 -6.309 -7.546 -8.223 281 HB2 ASN 34 2HB ASN 34 -8.159 -7.768 -9.918 282 HB3 ASN 34 3HB ASN 34 -6.947 -7.918 -11.188 283 HD21 ASN 34 1HD2 ASN 34 -7.582 -9.979 -11.799 284 HD22 ASN 34 2HD2 ASN 34 -7.355 -11.378 -10.811 285 H GLY 35 H GLY 35 -4.200 -7.929 -7.715 286 HA2 GLY 35 2HA GLY 35 -2.160 -9.119 -8.306 287 HA3 GLY 35 3HA GLY 35 -2.198 -8.346 -9.881 288 H ASP 36 H ASP 36 -3.049 -5.815 -8.082 289 HA ASP 36 HA ASP 36 -0.385 -5.091 -7.058 290 HB2 ASP 36 2HB ASP 36 -1.852 -3.520 -9.223 291 HB3 ASP 36 3HB ASP 36 -0.515 -2.858 -8.289 292 H ILE 37 H ILE 37 -0.443 -2.853 -6.048 293 HA ILE 37 HA ILE 37 -3.058 -2.024 -4.969 294 HB ILE 37 HB ILE 37 -0.405 -2.293 -3.443 295 HG12 ILE 37 2HG1 ILE 37 -1.835 -4.357 -3.551 296 HG13 ILE 37 3HG1 ILE 37 -1.630 -3.762 -1.908 297 HG21 ILE 37 1HG2 ILE 37 -2.937 -0.875 -2.497 298 HG22 ILE 37 2HG2 ILE 37 -1.385 -0.116 -2.860 299 HG23 ILE 37 3HG2 ILE 37 -1.524 -1.222 -1.497 300 HD11 ILE 37 3HD1 ILE 37 -4.074 -3.397 -3.651 301 HD12 ILE 37 1HD1 ILE 37 -3.884 -2.751 -2.018 302 HD13 ILE 37 2HD1 ILE 37 -3.907 -4.492 -2.283 303 H LYS 38 H LYS 38 -3.350 -0.133 -6.061 304 HA LYS 38 HA LYS 38 -1.110 1.768 -6.324 305 HB2 LYS 38 2HB LYS 38 -3.861 1.587 -7.597 306 HB3 LYS 38 3HB LYS 38 -3.047 3.151 -7.514 307 HG2 LYS 38 2HG LYS 38 -1.084 2.170 -8.690 308 HG3 LYS 38 3HG LYS 38 -1.973 0.651 -8.863 309 HD2 LYS 38 2HD LYS 38 -3.584 1.636 -10.324 310 HD3 LYS 38 3HD LYS 38 -3.085 3.278 -9.906 311 HE2 LYS 38 2HE LYS 38 -1.400 1.279 -11.456 312 HE3 LYS 38 3HE LYS 38 -2.304 2.626 -12.149 313 HZ1 LYS 38 3HZ LYS 38 -0.002 3.221 -11.878 314 HZ2 LYS 38 1HZ LYS 38 -0.048 2.855 -10.228 315 HZ3 LYS 38 2HZ LYS 38 -0.945 4.149 -10.827 316 H LEU 39 H LEU 39 -0.762 2.946 -4.609 317 HA LEU 39 HA LEU 39 -2.996 3.920 -2.928 318 HB2 LEU 39 2HB LEU 39 -1.414 2.596 -1.652 319 HB3 LEU 39 3HB LEU 39 -0.046 3.466 -2.326 320 HG LEU 39 HG LEU 39 -0.684 5.500 -1.062 321 HD11 LEU 39 1HD1 LEU 39 -2.948 3.858 0.106 322 HD12 LEU 39 2HD1 LEU 39 -3.114 5.236 -0.982 323 HD13 LEU 39 3HD1 LEU 39 -2.457 5.470 0.636 324 HD21 LEU 39 3HD2 LEU 39 -0.498 3.024 0.666 325 HD22 LEU 39 1HD2 LEU 39 -0.143 4.674 1.184 326 HD23 LEU 39 2HD2 LEU 39 0.853 3.906 -0.047 327 H ASP 40 H ASP 40 -3.218 6.057 -2.610 328 HA ASP 40 HA ASP 40 -1.530 7.983 -4.060 329 HB2 ASP 40 2HB ASP 40 -3.928 8.220 -4.508 330 HB3 ASP 40 3HB ASP 40 -4.297 8.230 -2.786 331 H ALA 41 H ALA 41 0.166 8.365 -2.773 332 HA ALA 41 HA ALA 41 -0.002 8.708 0.102 333 HB1 ALA 41 3HB ALA 41 2.016 7.727 -0.915 334 HB2 ALA 41 1HB ALA 41 2.416 9.228 -0.078 335 HB3 ALA 41 2HB ALA 41 2.290 9.203 -1.839 336 H GLN 42 H GLN 42 -0.333 10.613 1.125 337 HA GLN 42 HA GLN 42 -1.169 12.974 -0.086 338 HB2 GLN 42 2HB GLN 42 -1.566 12.449 2.316 339 HB3 GLN 42 3HB GLN 42 0.148 12.673 2.652 340 HG2 GLN 42 2HG GLN 42 -0.087 15.071 1.914 341 HG3 GLN 42 3HG GLN 42 -1.826 14.814 1.773 342 HE21 GLN 42 1HE2 GLN 42 -0.394 16.676 3.460 343 HE22 GLN 42 2HE2 GLN 42 -0.832 16.303 5.086 344 H THR 43 H THR 43 1.985 12.249 1.334 345 HA THR 43 HA THR 43 3.354 13.747 -0.770 346 HB THR 43 HB THR 43 3.261 15.431 0.991 347 HG1 THR 43 HG1 THR 43 5.257 15.300 -0.079 348 HG21 THR 43 3HG2 THR 43 4.446 13.369 2.888 349 HG22 THR 43 1HG2 THR 43 2.803 14.013 2.954 350 HG23 THR 43 2HG2 THR 43 4.180 15.071 3.260 351 H GLU 44 H GLU 44 5.744 13.256 -0.664 352 HA GLU 44 HA GLU 44 6.153 10.445 -0.703 353 HB2 GLU 44 2HB GLU 44 7.584 12.852 -1.606 354 HB3 GLU 44 3HB GLU 44 8.706 11.703 -0.896 355 HG2 GLU 44 2HG GLU 44 6.753 11.067 -3.126 356 HG3 GLU 44 3HG GLU 44 8.456 11.452 -3.350 357 H LYS 45 H LYS 45 6.819 12.969 1.618 358 HA LYS 45 HA LYS 45 8.549 11.519 3.332 359 HB2 LYS 45 2HB LYS 45 8.243 14.004 3.420 360 HB3 LYS 45 3HB LYS 45 6.619 13.767 4.042 361 HG2 LYS 45 2HG LYS 45 7.786 14.234 5.990 362 HG3 LYS 45 3HG LYS 45 7.809 12.478 5.999 363 HD2 LYS 45 2HD LYS 45 10.120 14.231 5.056 364 HD3 LYS 45 3HD LYS 45 9.975 13.570 6.676 365 HE2 LYS 45 2HE LYS 45 11.431 12.037 5.720 366 HE3 LYS 45 3HE LYS 45 9.892 11.244 5.391 367 HZ1 LYS 45 3HZ LYS 45 9.963 12.196 3.142 368 HZ2 LYS 45 1HZ LYS 45 11.316 11.232 3.448 369 HZ3 LYS 45 2HZ LYS 45 11.448 12.913 3.479 370 H GLU 46 H GLU 46 5.055 11.724 3.024 371 HA GLU 46 HA GLU 46 4.446 10.126 5.338 372 HB2 GLU 46 2HB GLU 46 2.913 11.901 4.153 373 HB3 GLU 46 3HB GLU 46 2.539 10.610 3.015 374 HG2 GLU 46 2HG GLU 46 0.820 10.703 4.714 375 HG3 GLU 46 3HG GLU 46 1.740 9.210 4.910 376 H ALA 47 H ALA 47 5.067 9.624 1.943 377 HA ALA 47 HA ALA 47 4.035 7.020 1.543 378 HB1 ALA 47 3HB ALA 47 5.455 6.978 -0.455 379 HB2 ALA 47 1HB ALA 47 6.359 8.376 0.139 380 HB3 ALA 47 2HB ALA 47 4.658 8.542 -0.292 381 H GLU 48 H GLU 48 6.943 8.176 3.053 382 HA GLU 48 HA GLU 48 8.603 5.917 2.968 383 HB2 GLU 48 2HB GLU 48 8.399 8.006 5.178 384 HB3 GLU 48 3HB GLU 48 9.769 6.940 4.891 385 HG2 GLU 48 2HG GLU 48 8.791 9.141 3.060 386 HG3 GLU 48 3HG GLU 48 10.230 9.190 4.070 387 H LYS 49 H LYS 49 5.990 6.789 5.199 388 HA LYS 49 HA LYS 49 6.421 4.436 6.896 389 HB2 LYS 49 2HB LYS 49 4.056 6.349 7.090 390 HB3 LYS 49 3HB LYS 49 4.635 5.228 8.308 391 HG2 LYS 49 2HG LYS 49 5.272 7.313 9.132 392 HG3 LYS 49 3HG LYS 49 6.758 6.714 8.394 393 HD2 LYS 49 2HD LYS 49 6.528 8.166 6.512 394 HD3 LYS 49 3HD LYS 49 4.840 8.505 6.871 395 HE2 LYS 49 2HE LYS 49 7.136 9.409 8.644 396 HE3 LYS 49 3HE LYS 49 6.417 10.397 7.371 397 HZ1 LYS 49 3HZ LYS 49 5.408 10.959 9.433 398 HZ2 LYS 49 1HZ LYS 49 5.045 9.342 9.775 399 HZ3 LYS 49 2HZ LYS 49 4.259 10.132 8.505 400 H MET 50 H MET 50 4.291 5.640 4.440 401 HA MET 50 HA MET 50 2.200 3.765 4.471 402 HB2 MET 50 2HB MET 50 3.315 5.407 2.169 403 HB3 MET 50 3HB MET 50 1.929 4.344 1.963 404 HG2 MET 50 2HG MET 50 0.742 5.594 3.754 405 HG3 MET 50 3HG MET 50 2.113 6.699 3.851 406 HE1 MET 50 3HE MET 50 -1.118 7.345 3.201 407 HE2 MET 50 1HE MET 50 -0.883 8.673 2.064 408 HE3 MET 50 2HE MET 50 0.090 8.589 3.532 409 H GLU 51 H GLU 51 4.991 3.628 2.206 410 HA GLU 51 HA GLU 51 4.686 1.008 1.311 411 HB2 GLU 51 2HB GLU 51 7.016 1.139 0.605 412 HB3 GLU 51 3HB GLU 51 6.248 2.702 0.354 413 HG2 GLU 51 2HG GLU 51 7.256 3.481 2.513 414 HG3 GLU 51 3HG GLU 51 8.121 1.951 2.613 415 H LYS 52 H LYS 52 5.954 2.159 4.344 416 HA LYS 52 HA LYS 52 7.270 -0.263 5.206 417 HB2 LYS 52 2HB LYS 52 8.015 1.970 5.963 418 HB3 LYS 52 3HB LYS 52 6.459 2.249 6.734 419 HG2 LYS 52 2HG LYS 52 6.913 0.454 8.341 420 HG3 LYS 52 3HG LYS 52 8.448 0.107 7.542 421 HD2 LYS 52 2HD LYS 52 9.299 2.343 8.150 422 HD3 LYS 52 3HD LYS 52 7.744 2.752 8.880 423 HE2 LYS 52 2HE LYS 52 9.613 0.558 9.840 424 HE3 LYS 52 3HE LYS 52 9.414 2.148 10.581 425 HZ1 LYS 52 3HZ LYS 52 7.092 1.600 11.009 426 HZ2 LYS 52 1HZ LYS 52 8.129 0.492 11.744 427 HZ3 LYS 52 2HZ LYS 52 7.310 0.069 10.333 428 H ALA 53 H ALA 53 4.096 1.214 5.620 429 HA ALA 53 HA ALA 53 2.992 -0.592 7.492 430 HB1 ALA 53 3HB ALA 53 1.974 1.593 6.997 431 HB2 ALA 53 1HB ALA 53 0.806 0.291 6.780 432 HB3 ALA 53 2HB ALA 53 1.554 1.051 5.371 433 H VAL 54 H VAL 54 3.088 -0.619 3.951 434 HA VAL 54 HA VAL 54 1.621 -2.922 3.346 435 HB VAL 54 HB VAL 54 4.173 -1.922 1.987 436 HG11 VAL 54 1HG1 VAL 54 3.609 -4.195 1.260 437 HG12 VAL 54 2HG1 VAL 54 3.341 -3.040 -0.044 438 HG13 VAL 54 3HG1 VAL 54 1.966 -3.682 0.856 439 HG21 VAL 54 3HG2 VAL 54 1.283 -1.156 1.426 440 HG22 VAL 54 1HG2 VAL 54 2.678 -0.653 0.469 441 HG23 VAL 54 2HG2 VAL 54 2.518 -0.125 2.145 442 H LYS 55 H LYS 55 5.060 -2.544 4.105 443 HA LYS 55 HA LYS 55 5.994 -5.136 3.918 444 HB2 LYS 55 2HB LYS 55 6.915 -2.875 5.718 445 HB3 LYS 55 3HB LYS 55 7.817 -4.380 5.535 446 HG2 LYS 55 2HG LYS 55 8.247 -3.947 3.212 447 HG3 LYS 55 3HG LYS 55 7.125 -2.582 3.191 448 HD2 LYS 55 2HD LYS 55 8.591 -1.284 4.638 449 HD3 LYS 55 3HD LYS 55 9.671 -2.661 4.860 450 HE2 LYS 55 2HE LYS 55 9.148 -1.328 2.183 451 HE3 LYS 55 3HE LYS 55 10.510 -0.945 3.238 452 HZ1 LYS 55 3HZ LYS 55 11.139 -2.519 1.539 453 HZ2 LYS 55 1HZ LYS 55 9.951 -3.603 2.050 454 HZ3 LYS 55 2HZ LYS 55 11.250 -3.237 3.066 455 H LYS 56 H LYS 56 3.970 -3.858 6.456 456 HA LYS 56 HA LYS 56 4.690 -5.670 8.540 457 HB2 LYS 56 2HB LYS 56 2.046 -4.187 8.150 458 HB3 LYS 56 3HB LYS 56 2.570 -4.964 9.642 459 HG2 LYS 56 2HG LYS 56 4.579 -3.406 9.624 460 HG3 LYS 56 3HG LYS 56 3.808 -2.538 8.305 461 HD2 LYS 56 2HD LYS 56 2.614 -2.887 11.084 462 HD3 LYS 56 3HD LYS 56 3.514 -1.473 10.554 463 HE2 LYS 56 2HE LYS 56 1.285 -0.800 10.338 464 HE3 LYS 56 3HE LYS 56 1.705 -1.273 8.695 465 HZ1 LYS 56 3HZ LYS 56 0.190 -2.891 10.663 466 HZ2 LYS 56 1HZ LYS 56 0.627 -3.418 9.124 467 HZ3 LYS 56 2HZ LYS 56 -0.448 -2.129 9.301 468 H VAL 57 H VAL 57 2.870 -6.148 5.671 469 HA VAL 57 HA VAL 57 1.889 -8.815 6.526 470 HB VAL 57 HB VAL 57 1.219 -7.108 4.074 471 HG11 VAL 57 1HG1 VAL 57 -0.496 -8.803 3.485 472 HG12 VAL 57 2HG1 VAL 57 0.098 -9.858 4.769 473 HG13 VAL 57 3HG1 VAL 57 1.135 -9.472 3.393 474 HG21 VAL 57 3HG2 VAL 57 -0.518 -7.927 6.422 475 HG22 VAL 57 1HG2 VAL 57 -0.996 -6.905 5.062 476 HG23 VAL 57 2HG2 VAL 57 0.227 -6.341 6.198 477 H LYS 58 H LYS 58 4.305 -7.224 4.593 478 HA LYS 58 HA LYS 58 5.382 -9.616 3.529 479 HB2 LYS 58 2HB LYS 58 5.103 -8.905 1.047 480 HB3 LYS 58 3HB LYS 58 3.741 -9.673 1.845 481 HG2 LYS 58 2HG LYS 58 2.714 -7.402 2.190 482 HG3 LYS 58 3HG LYS 58 4.036 -6.706 1.250 483 HD2 LYS 58 2HD LYS 58 2.135 -8.839 0.191 484 HD3 LYS 58 3HD LYS 58 1.920 -7.110 -0.079 485 HE2 LYS 58 2HE LYS 58 3.860 -6.963 -1.432 486 HE3 LYS 58 3HE LYS 58 4.468 -8.533 -0.892 487 HZ1 LYS 58 3HZ LYS 58 2.079 -8.068 -2.583 488 HZ2 LYS 58 1HZ LYS 58 2.623 -9.581 -2.062 489 HZ3 LYS 58 2HZ LYS 58 3.571 -8.655 -3.118 490 HA PRO 59 HA PRO 59 8.553 -6.305 4.137 491 HB2 PRO 59 2HB PRO 59 10.634 -8.036 4.662 492 HB3 PRO 59 3HB PRO 59 9.442 -7.563 5.889 493 HG2 PRO 59 2HG PRO 59 9.509 -10.050 4.201 494 HG3 PRO 59 3HG PRO 59 9.224 -9.891 5.952 495 HD2 PRO 59 2HD PRO 59 7.176 -10.202 4.227 496 HD3 PRO 59 3HD PRO 59 7.020 -9.162 5.661 497 H ASN 60 H ASN 60 8.309 -8.918 1.908 498 HA ASN 60 HA ASN 60 10.608 -8.132 0.252 499 HB2 ASN 60 2HB ASN 60 8.775 -10.553 0.212 500 HB3 ASN 60 3HB ASN 60 10.004 -10.234 -1.012 501 HD21 ASN 60 1HD2 ASN 60 11.327 -11.902 -0.603 502 HD22 ASN 60 2HD2 ASN 60 12.188 -12.126 0.868 503 H ALA 61 H ALA 61 7.733 -6.862 0.611 504 HA ALA 61 HA ALA 61 6.223 -6.981 -1.693 505 HB1 ALA 61 3HB ALA 61 5.510 -5.850 0.372 506 HB2 ALA 61 1HB ALA 61 5.335 -4.774 -1.013 507 HB3 ALA 61 2HB ALA 61 6.689 -4.565 0.102 508 H THR 62 H THR 62 6.718 -6.513 -3.802 509 HA THR 62 HA THR 62 8.930 -4.808 -4.542 510 HB THR 62 HB THR 62 6.682 -5.867 -6.321 511 HG1 THR 62 HG1 THR 62 8.827 -7.125 -5.134 512 HG21 THR 62 3HG2 THR 62 8.332 -5.648 -8.154 513 HG22 THR 62 1HG2 THR 62 9.506 -4.959 -7.030 514 HG23 THR 62 2HG2 THR 62 8.020 -4.083 -7.405 515 H ILE 63 H ILE 63 8.598 -2.738 -3.789 516 HA ILE 63 HA ILE 63 6.068 -1.336 -4.359 517 HB ILE 63 HB ILE 63 8.317 -0.597 -2.409 518 HG12 ILE 63 2HG1 ILE 63 5.601 -1.793 -1.696 519 HG13 ILE 63 3HG1 ILE 63 7.072 -2.745 -1.833 520 HG21 ILE 63 1HG2 ILE 63 5.518 0.583 -2.685 521 HG22 ILE 63 2HG2 ILE 63 7.023 1.368 -3.165 522 HG23 ILE 63 3HG2 ILE 63 6.712 1.034 -1.464 523 HD11 ILE 63 3HD1 ILE 63 6.602 -2.288 0.459 524 HD12 ILE 63 1HD1 ILE 63 6.533 -0.552 0.156 525 HD13 ILE 63 2HD1 ILE 63 8.062 -1.419 -0.013 526 H ARG 64 H ARG 64 6.122 0.284 -5.803 527 HA ARG 64 HA ARG 64 8.696 1.458 -6.640 528 HB2 ARG 64 2HB ARG 64 6.367 0.768 -8.507 529 HB3 ARG 64 3HB ARG 64 7.813 1.665 -8.966 530 HG2 ARG 64 2HG ARG 64 9.056 -0.506 -8.044 531 HG3 ARG 64 3HG ARG 64 7.504 -1.266 -8.383 532 HD2 ARG 64 2HD ARG 64 9.169 0.276 -10.393 533 HD3 ARG 64 3HD ARG 64 9.133 -1.477 -10.250 534 HE ARG 64 HE ARG 64 6.919 0.246 -11.190 535 HH11 ARG 64 1HH1 ARG 64 8.317 -2.977 -10.909 536 HH12 ARG 64 2HH1 ARG 64 7.186 -3.688 -12.012 537 HH21 ARG 64 1HH2 ARG 64 5.500 -0.704 -12.693 538 HH22 ARG 64 2HH2 ARG 64 5.600 -2.404 -13.016 539 H LYS 65 H LYS 65 8.685 3.626 -6.876 540 HA LYS 65 HA LYS 65 6.352 5.086 -5.779 541 HB2 LYS 65 2HB LYS 65 9.333 5.501 -5.239 542 HB3 LYS 65 3HB LYS 65 8.038 6.499 -4.586 543 HG2 LYS 65 2HG LYS 65 7.338 4.851 -3.070 544 HG3 LYS 65 3HG LYS 65 8.034 3.537 -4.014 545 HD2 LYS 65 2HD LYS 65 9.280 3.893 -1.925 546 HD3 LYS 65 3HD LYS 65 10.297 4.208 -3.330 547 HE2 LYS 65 2HE LYS 65 10.694 5.885 -1.601 548 HE3 LYS 65 3HE LYS 65 9.954 6.646 -3.008 549 HZ1 LYS 65 3HZ LYS 65 7.887 6.780 -1.894 550 HZ2 LYS 65 1HZ LYS 65 9.050 7.336 -0.798 551 HZ3 LYS 65 2HZ LYS 65 8.405 5.782 -0.629 552 H THR 66 H THR 66 5.581 6.252 -7.446 553 HA THR 66 HA THR 66 7.430 7.756 -9.216 554 HB THR 66 HB THR 66 4.788 6.426 -9.998 555 HG1 THR 66 HG1 THR 66 7.449 5.982 -10.927 556 HG21 THR 66 3HG2 THR 66 5.225 7.245 -12.288 557 HG22 THR 66 1HG2 THR 66 6.645 8.126 -11.716 558 HG23 THR 66 2HG2 THR 66 5.034 8.599 -11.174 559 H GLY 67 H GLY 67 7.173 9.868 -9.018 560 HA2 GLY 67 2HA GLY 67 5.150 11.567 -9.175 561 HA3 GLY 67 3HA GLY 67 4.914 10.992 -7.523 562 H GLY 68 H GLY 68 7.054 10.895 -6.244 563 HA2 GLY 68 2HA GLY 68 8.909 11.981 -5.370 564 HA3 GLY 68 3HA GLY 68 8.939 13.051 -6.766 565 H SER 69 H SER 69 9.466 14.287 -4.575 566 HA SER 69 HA SER 69 7.079 15.414 -3.311 567 HB2 SER 69 2HB SER 69 8.828 16.565 -1.859 568 HB3 SER 69 3HB SER 69 8.865 14.800 -1.800 569 HG SER 69 HG SER 69 10.907 15.121 -2.248 570 H LEU 70 H LEU 70 6.232 17.343 -3.860 571 HA LEU 70 HA LEU 70 7.285 18.986 -5.957 572 HB2 LEU 70 2HB LEU 70 4.848 18.883 -5.532 573 HB3 LEU 70 3HB LEU 70 5.077 19.534 -3.917 574 HG LEU 70 HG LEU 70 5.832 21.702 -4.891 575 HD11 LEU 70 1HD1 LEU 70 5.200 20.493 -7.601 576 HD12 LEU 70 2HD1 LEU 70 6.801 20.921 -6.996 577 HD13 LEU 70 3HD1 LEU 70 5.609 22.183 -7.288 578 HD21 LEU 70 3HD2 LEU 70 3.466 21.408 -4.322 579 HD22 LEU 70 1HD2 LEU 70 3.134 20.791 -5.943 580 HD23 LEU 70 2HD2 LEU 70 3.643 22.468 -5.719 581 H GLU 71 H GLU 71 9.055 20.206 -5.675 582 HA GLU 71 HA GLU 71 10.185 21.082 -3.254 583 HB2 GLU 71 2HB GLU 71 11.449 21.007 -5.399 584 HB3 GLU 71 3HB GLU 71 10.455 22.317 -6.035 585 HG2 GLU 71 2HG GLU 71 11.317 23.800 -4.222 586 HG3 GLU 71 3HG GLU 71 12.381 22.501 -3.690 587 H HIS 72 H HIS 72 9.610 22.694 -1.929 588 HA HIS 72 HA HIS 72 7.324 24.367 -2.449 589 HB2 HIS 72 2HB HIS 72 9.202 24.165 -0.044 590 HB3 HIS 72 3HB HIS 72 7.802 25.236 -0.106 591 HD1 HIS 72 HD1 HIS 72 8.748 21.819 0.767 592 HD2 HIS 72 HD2 HIS 72 5.280 23.776 -0.413 593 HE1 HIS 72 HE1 HIS 72 6.861 20.288 1.396 594 HE2 HIS 72 HE2 HIS 72 4.806 21.404 0.476 595 H HIS 73 H HIS 73 8.340 25.276 -4.352 596 HA HIS 73 HA HIS 73 10.273 27.448 -3.877 597 HB2 HIS 73 2HB HIS 73 10.755 25.829 -5.743 598 HB3 HIS 73 3HB HIS 73 9.241 26.299 -6.512 599 HD1 HIS 73 HD1 HIS 73 9.789 27.746 -8.438 600 HD2 HIS 73 HD2 HIS 73 12.263 28.539 -5.200 601 HE1 HIS 73 HE1 HIS 73 11.241 29.659 -9.153 602 HE2 HIS 73 HE2 HIS 73 12.780 30.069 -7.213 603 H HIS 74 H HIS 74 9.299 29.265 -3.339 604 HA HIS 74 HA HIS 74 6.461 29.602 -3.452 605 HB2 HIS 74 2HB HIS 74 8.650 31.542 -2.590 606 HB3 HIS 74 3HB HIS 74 6.926 31.756 -2.281 607 HD1 HIS 74 HD1 HIS 74 5.949 30.537 -0.260 608 HD2 HIS 74 HD2 HIS 74 9.838 29.351 -1.112 609 HE1 HIS 74 HE1 HIS 74 6.672 29.118 1.684 610 HE2 HIS 74 HE2 HIS 74 9.059 28.511 1.194 611 H HIS 75 H HIS 75 8.942 30.333 -5.654 612 HA HIS 75 HA HIS 75 9.022 31.188 -7.729 613 HB2 HIS 75 2HB HIS 75 6.831 29.962 -7.980 614 HB3 HIS 75 3HB HIS 75 5.979 31.434 -7.542 615 HD1 HIS 75 HD1 HIS 75 5.417 32.999 -9.401 616 HD2 HIS 75 HD2 HIS 75 8.208 30.147 -10.559 617 HE1 HIS 75 HE1 HIS 75 5.677 33.276 -11.880 618 HE2 HIS 75 HE2 HIS 75 7.352 31.530 -12.563 619 H HIS 76 H HIS 76 9.051 32.843 -5.261 620 HA HIS 76 HA HIS 76 8.012 35.460 -5.955 621 HB2 HIS 76 2HB HIS 76 7.909 34.715 -3.611 622 HB3 HIS 76 3HB HIS 76 9.653 34.488 -3.567 623 HD1 HIS 76 HD1 HIS 76 7.152 37.317 -4.072 624 HD2 HIS 76 HD2 HIS 76 11.012 36.704 -2.654 625 HE1 HIS 76 HE1 HIS 76 7.914 39.544 -3.188 626 HE2 HIS 76 HE2 HIS 76 10.246 39.153 -2.342 627 H HIS 77 H HIS 77 9.199 37.205 -6.545 628 HA HIS 77 HA HIS 77 12.093 37.084 -6.903 629 HB2 HIS 77 2HB HIS 77 11.792 37.840 -9.357 630 HB3 HIS 77 3HB HIS 77 11.468 36.145 -9.016 631 HD1 HIS 77 HD1 HIS 77 8.867 35.503 -8.821 632 HD2 HIS 77 HD2 HIS 77 9.693 39.151 -10.622 633 HE1 HIS 77 HE1 HIS 77 6.763 36.146 -10.018 634 HE2 HIS 77 HE2 HIS 77 7.239 38.412 -10.992 Start of MODEL 3 1 H1 MET 1 1H MET 1 1.510 14.774 -5.054 2 H2 MET 1 2H MET 1 1.381 13.991 -3.567 3 H3 MET 1 3H MET 1 0.087 14.907 -4.151 4 HA MET 1 HA MET 1 -0.347 12.589 -4.399 5 HB2 MET 1 2HB MET 1 -1.277 14.148 -6.068 6 HB3 MET 1 3HB MET 1 0.172 14.001 -7.051 7 HG2 MET 1 2HG MET 1 -0.352 11.740 -7.637 8 HG3 MET 1 3HG MET 1 -1.616 11.644 -6.414 9 HE1 MET 1 3HE MET 1 -3.329 14.269 -6.719 10 HE2 MET 1 1HE MET 1 -4.013 12.642 -6.637 11 HE3 MET 1 2HE MET 1 -4.508 13.747 -7.919 12 H VAL 2 H VAL 2 0.996 11.013 -3.807 13 HA VAL 2 HA VAL 2 3.331 10.324 -5.515 14 HB VAL 2 HB VAL 2 2.891 9.664 -2.554 15 HG11 VAL 2 1HG1 VAL 2 5.226 8.835 -2.579 16 HG12 VAL 2 2HG1 VAL 2 5.321 9.131 -4.316 17 HG13 VAL 2 3HG1 VAL 2 4.206 7.916 -3.689 18 HG21 VAL 2 3HG2 VAL 2 3.351 12.059 -2.873 19 HG22 VAL 2 1HG2 VAL 2 4.794 11.678 -3.818 20 HG23 VAL 2 2HG2 VAL 2 4.725 11.265 -2.103 21 H ASP 3 H ASP 3 3.117 8.484 -6.605 22 HA ASP 3 HA ASP 3 0.723 6.823 -6.247 23 HB2 ASP 3 2HB ASP 3 1.036 7.786 -8.467 24 HB3 ASP 3 3HB ASP 3 2.677 7.154 -8.565 25 H LEU 4 H LEU 4 1.154 5.248 -4.801 26 HA LEU 4 HA LEU 4 3.576 3.584 -5.039 27 HB2 LEU 4 2HB LEU 4 1.455 3.594 -2.843 28 HB3 LEU 4 3HB LEU 4 2.973 2.707 -2.824 29 HG LEU 4 HG LEU 4 2.643 5.732 -2.671 30 HD11 LEU 4 1HD1 LEU 4 2.134 4.626 -0.554 31 HD12 LEU 4 2HD1 LEU 4 3.646 5.518 -0.431 32 HD13 LEU 4 3HD1 LEU 4 3.674 3.762 -0.602 33 HD21 LEU 4 3HD2 LEU 4 5.096 5.852 -2.422 34 HD22 LEU 4 1HD2 LEU 4 4.618 5.238 -4.004 35 HD23 LEU 4 2HD2 LEU 4 5.213 4.125 -2.770 36 H LYS 5 H LYS 5 3.331 1.913 -6.386 37 HA LYS 5 HA LYS 5 0.750 0.442 -6.487 38 HB2 LYS 5 2HB LYS 5 3.050 0.245 -8.481 39 HB3 LYS 5 3HB LYS 5 1.474 -0.529 -8.611 40 HG2 LYS 5 2HG LYS 5 0.478 1.826 -8.711 41 HG3 LYS 5 3HG LYS 5 2.135 2.414 -8.894 42 HD2 LYS 5 2HD LYS 5 2.363 0.867 -10.901 43 HD3 LYS 5 3HD LYS 5 0.636 0.529 -10.755 44 HE2 LYS 5 2HE LYS 5 1.948 3.183 -11.393 45 HE3 LYS 5 3HE LYS 5 0.933 2.206 -12.452 46 HZ1 LYS 5 3HZ LYS 5 -0.917 2.611 -10.899 47 HZ2 LYS 5 1HZ LYS 5 -0.317 4.032 -11.595 48 HZ3 LYS 5 2HZ LYS 5 0.083 3.646 -10.000 49 H ILE 6 H ILE 6 0.765 -1.345 -5.211 50 HA ILE 6 HA ILE 6 3.380 -2.568 -4.524 51 HB ILE 6 HB ILE 6 0.741 -2.681 -2.984 52 HG12 ILE 6 2HG1 ILE 6 2.283 -1.649 -1.133 53 HG13 ILE 6 3HG1 ILE 6 3.396 -1.277 -2.438 54 HG21 ILE 6 1HG2 ILE 6 3.364 -4.092 -2.342 55 HG22 ILE 6 2HG2 ILE 6 1.856 -4.865 -2.837 56 HG23 ILE 6 3HG2 ILE 6 1.948 -4.033 -1.287 57 HD11 ILE 6 3HD1 ILE 6 2.052 0.644 -1.820 58 HD12 ILE 6 1HD1 ILE 6 0.570 -0.247 -2.165 59 HD13 ILE 6 2HD1 ILE 6 1.689 0.148 -3.473 60 H ASP 7 H ASP 7 3.819 -4.339 -5.632 61 HA ASP 7 HA ASP 7 1.971 -5.999 -7.026 62 HB2 ASP 7 2HB ASP 7 4.827 -6.552 -6.088 63 HB3 ASP 7 3HB ASP 7 3.932 -7.606 -7.176 64 H VAL 8 H VAL 8 0.627 -7.495 -6.160 65 HA VAL 8 HA VAL 8 1.215 -8.603 -3.469 66 HB VAL 8 HB VAL 8 -1.255 -8.952 -3.194 67 HG11 VAL 8 1HG1 VAL 8 -0.175 -7.031 -2.137 68 HG12 VAL 8 2HG1 VAL 8 -1.787 -6.572 -2.683 69 HG13 VAL 8 3HG1 VAL 8 -0.367 -6.066 -3.604 70 HG21 VAL 8 3HG2 VAL 8 -1.526 -7.245 -5.711 71 HG22 VAL 8 1HG2 VAL 8 -2.854 -7.744 -4.656 72 HG23 VAL 8 2HG2 VAL 8 -1.949 -8.952 -5.569 73 H SER 9 H SER 9 0.744 -10.705 -3.047 74 HA SER 9 HA SER 9 1.292 -12.595 -5.138 75 HB2 SER 9 2HB SER 9 2.262 -12.822 -2.879 76 HB3 SER 9 3HB SER 9 0.656 -13.008 -2.178 77 HG SER 9 HG SER 9 1.217 -15.049 -2.436 78 H ASP 10 H ASP 10 -1.582 -11.549 -3.416 79 HA ASP 10 HA ASP 10 -3.415 -13.195 -4.894 80 HB2 ASP 10 2HB ASP 10 -4.161 -14.617 -3.009 81 HB3 ASP 10 3HB ASP 10 -2.458 -14.901 -3.347 82 H ASP 11 H ASP 11 -5.570 -13.214 -3.147 83 HA ASP 11 HA ASP 11 -6.370 -10.417 -3.375 84 HB2 ASP 11 2HB ASP 11 -7.947 -12.920 -2.626 85 HB3 ASP 11 3HB ASP 11 -8.658 -11.310 -2.691 86 H GLU 12 H GLU 12 -5.757 -12.803 -0.843 87 HA GLU 12 HA GLU 12 -6.961 -11.360 1.303 88 HB2 GLU 12 2HB GLU 12 -6.617 -13.827 1.324 89 HB3 GLU 12 3HB GLU 12 -4.875 -13.582 1.402 90 HG2 GLU 12 2HG GLU 12 -5.216 -12.365 3.584 91 HG3 GLU 12 3HG GLU 12 -6.919 -12.817 3.511 92 H GLU 13 H GLU 13 -3.556 -11.737 0.181 93 HA GLU 13 HA GLU 13 -2.326 -10.146 2.134 94 HB2 GLU 13 2HB GLU 13 -1.064 -11.626 0.600 95 HB3 GLU 13 3HB GLU 13 -1.429 -10.557 -0.753 96 HG2 GLU 13 2HG GLU 13 -0.164 -8.742 0.324 97 HG3 GLU 13 3HG GLU 13 0.149 -9.768 1.718 98 H ALA 14 H ALA 14 -3.729 -9.291 -0.996 99 HA ALA 14 HA ALA 14 -3.124 -6.558 -1.071 100 HB1 ALA 14 3HB ALA 14 -5.596 -7.974 -2.146 101 HB2 ALA 14 1HB ALA 14 -4.049 -7.810 -2.979 102 HB3 ALA 14 2HB ALA 14 -5.019 -6.377 -2.640 103 H GLU 15 H GLU 15 -5.920 -8.253 0.367 104 HA GLU 15 HA GLU 15 -7.279 -6.044 1.429 105 HB2 GLU 15 2HB GLU 15 -7.190 -8.975 2.199 106 HB3 GLU 15 3HB GLU 15 -8.182 -7.834 3.100 107 HG2 GLU 15 2HG GLU 15 -8.429 -8.425 0.137 108 HG3 GLU 15 3HG GLU 15 -9.474 -9.057 1.409 109 H LYS 16 H LYS 16 -4.611 -7.951 2.800 110 HA LYS 16 HA LYS 16 -4.564 -6.821 5.394 111 HB2 LYS 16 2HB LYS 16 -2.224 -7.902 3.771 112 HB3 LYS 16 3HB LYS 16 -2.222 -7.638 5.512 113 HG2 LYS 16 2HG LYS 16 -3.866 -9.411 5.824 114 HG3 LYS 16 3HG LYS 16 -4.023 -9.607 4.076 115 HD2 LYS 16 2HD LYS 16 -1.554 -10.217 4.011 116 HD3 LYS 16 3HD LYS 16 -1.578 -10.227 5.778 117 HE2 LYS 16 2HE LYS 16 -3.206 -12.040 5.784 118 HE3 LYS 16 3HE LYS 16 -3.348 -11.966 4.027 119 HZ1 LYS 16 3HZ LYS 16 -0.993 -12.615 3.881 120 HZ2 LYS 16 1HZ LYS 16 -1.938 -13.782 4.664 121 HZ3 LYS 16 2HZ LYS 16 -0.935 -12.766 5.565 122 H ILE 17 H ILE 17 -3.051 -5.833 2.322 123 HA ILE 17 HA ILE 17 -1.464 -3.698 3.349 124 HB ILE 17 HB ILE 17 -2.542 -4.103 0.512 125 HG12 ILE 17 2HG1 ILE 17 -1.156 -6.000 1.183 126 HG13 ILE 17 3HG1 ILE 17 -0.265 -5.029 0.020 127 HG21 ILE 17 1HG2 ILE 17 -0.291 -2.278 1.453 128 HG22 ILE 17 2HG2 ILE 17 -1.854 -1.767 0.809 129 HG23 ILE 17 3HG2 ILE 17 -0.705 -2.606 -0.231 130 HD11 ILE 17 3HD1 ILE 17 1.064 -4.071 1.840 131 HD12 ILE 17 1HD1 ILE 17 1.159 -5.829 1.809 132 HD13 ILE 17 2HD1 ILE 17 0.154 -5.030 3.012 133 H ILE 18 H ILE 18 -4.606 -3.731 1.650 134 HA ILE 18 HA ILE 18 -5.254 -1.028 1.703 135 HB ILE 18 HB ILE 18 -7.061 -3.493 1.743 136 HG12 ILE 18 2HG1 ILE 18 -6.134 -1.732 -0.584 137 HG13 ILE 18 3HG1 ILE 18 -5.502 -3.327 -0.208 138 HG21 ILE 18 1HG2 ILE 18 -7.864 -0.637 1.062 139 HG22 ILE 18 2HG2 ILE 18 -8.375 -1.545 2.484 140 HG23 ILE 18 3HG2 ILE 18 -8.886 -2.065 0.881 141 HD11 ILE 18 3HD1 ILE 18 -7.023 -3.447 -2.053 142 HD12 ILE 18 1HD1 ILE 18 -8.296 -2.669 -1.112 143 HD13 ILE 18 2HD1 ILE 18 -7.725 -4.279 -0.666 144 H ARG 19 H ARG 19 -5.763 -3.536 4.150 145 HA ARG 19 HA ARG 19 -7.329 -1.982 5.962 146 HB2 ARG 19 2HB ARG 19 -7.172 -4.539 5.881 147 HB3 ARG 19 3HB ARG 19 -5.597 -4.397 6.658 148 HG2 ARG 19 2HG ARG 19 -6.773 -3.178 8.563 149 HG3 ARG 19 3HG ARG 19 -8.303 -3.615 7.796 150 HD2 ARG 19 2HD ARG 19 -7.842 -5.238 9.518 151 HD3 ARG 19 3HD ARG 19 -7.605 -6.036 7.957 152 HE ARG 19 HE ARG 19 -5.227 -4.876 9.191 153 HH11 ARG 19 1HH1 ARG 19 -7.101 -7.822 8.742 154 HH12 ARG 19 2HH1 ARG 19 -5.778 -8.865 9.153 155 HH21 ARG 19 1HH2 ARG 19 -3.527 -6.238 9.759 156 HH22 ARG 19 2HH2 ARG 19 -3.739 -7.957 9.734 157 H GLU 20 H GLU 20 -3.933 -3.003 6.000 158 HA GLU 20 HA GLU 20 -3.007 -1.769 8.279 159 HB2 GLU 20 2HB GLU 20 -1.742 -3.451 7.057 160 HB3 GLU 20 3HB GLU 20 -1.622 -2.401 5.653 161 HG2 GLU 20 2HG GLU 20 0.507 -2.440 6.716 162 HG3 GLU 20 3HG GLU 20 -0.190 -0.850 6.967 163 H ILE 21 H ILE 21 -3.235 -0.423 4.988 164 HA ILE 21 HA ILE 21 -1.931 2.039 5.642 165 HB ILE 21 HB ILE 21 -3.696 1.372 3.245 166 HG12 ILE 21 2HG1 ILE 21 -1.668 -0.040 3.319 167 HG13 ILE 21 3HG1 ILE 21 -1.569 1.107 1.994 168 HG21 ILE 21 1HG2 ILE 21 -1.838 3.747 3.665 169 HG22 ILE 21 2HG2 ILE 21 -3.600 3.803 3.566 170 HG23 ILE 21 3HG2 ILE 21 -2.649 3.345 2.154 171 HD11 ILE 21 3HD1 ILE 21 0.574 0.849 3.090 172 HD12 ILE 21 1HD1 ILE 21 -0.118 1.322 4.642 173 HD13 ILE 21 2HD1 ILE 21 -0.021 2.490 3.322 174 H ARG 22 H ARG 22 -5.394 1.043 5.356 175 HA ARG 22 HA ARG 22 -6.266 3.799 5.718 176 HB2 ARG 22 2HB ARG 22 -7.878 1.255 5.338 177 HB3 ARG 22 3HB ARG 22 -8.600 2.851 5.558 178 HG2 ARG 22 2HG ARG 22 -7.183 3.611 3.552 179 HG3 ARG 22 3HG ARG 22 -6.859 1.900 3.271 180 HD2 ARG 22 2HD ARG 22 -9.604 3.188 3.315 181 HD3 ARG 22 3HD ARG 22 -8.693 2.765 1.866 182 HE ARG 22 HE ARG 22 -8.963 0.444 3.401 183 HH11 ARG 22 1HH1 ARG 22 -11.077 2.637 1.618 184 HH12 ARG 22 2HH1 ARG 22 -12.251 1.412 1.269 185 HH21 ARG 22 1HH2 ARG 22 -10.510 -1.140 2.916 186 HH22 ARG 22 2HH2 ARG 22 -11.929 -0.728 2.004 187 H GLU 23 H GLU 23 -5.576 1.263 7.923 188 HA GLU 23 HA GLU 23 -7.306 2.076 10.065 189 HB2 GLU 23 2HB GLU 23 -4.679 0.523 10.037 190 HB3 GLU 23 3HB GLU 23 -5.566 0.854 11.522 191 HG2 GLU 23 2HG GLU 23 -7.507 -0.404 10.656 192 HG3 GLU 23 3HG GLU 23 -6.641 -0.723 9.158 193 H GLN 24 H GLN 24 -4.098 3.026 8.971 194 HA GLN 24 HA GLN 24 -3.758 4.990 11.144 195 HB2 GLN 24 2HB GLN 24 -1.897 3.934 8.989 196 HB3 GLN 24 3HB GLN 24 -1.491 5.376 9.911 197 HG2 GLN 24 2HG GLN 24 -0.361 3.513 10.893 198 HG3 GLN 24 3HG GLN 24 -1.614 4.031 12.006 199 HE21 GLN 24 1HE2 GLN 24 -0.666 1.549 9.725 200 HE22 GLN 24 2HE2 GLN 24 -1.733 0.324 10.306 201 H TRP 25 H TRP 25 -4.212 4.824 7.653 202 HA TRP 25 HA TRP 25 -4.546 7.757 7.475 203 HB2 TRP 25 2HB TRP 25 -3.315 5.951 5.327 204 HB3 TRP 25 3HB TRP 25 -3.515 7.700 5.238 205 HD1 TRP 25 HD1 TRP 25 -1.947 9.148 7.055 206 HE1 TRP 25 HE1 TRP 25 0.424 8.653 7.901 207 HE3 TRP 25 HE3 TRP 25 -1.661 4.171 5.885 208 HZ2 TRP 25 HZ2 TRP 25 2.188 6.485 8.055 209 HZ3 TRP 25 HZ3 TRP 25 0.413 2.953 6.420 210 HH2 TRP 25 HH2 TRP 25 2.298 4.088 7.484 211 HA PRO 26 HA PRO 26 -8.408 5.527 6.102 212 HB2 PRO 26 2HB PRO 26 -10.234 7.060 7.411 213 HB3 PRO 26 3HB PRO 26 -9.280 5.817 8.247 214 HG2 PRO 26 2HG PRO 26 -8.847 8.784 8.177 215 HG3 PRO 26 3HG PRO 26 -8.753 7.664 9.556 216 HD2 PRO 26 2HD PRO 26 -6.540 8.554 8.186 217 HD3 PRO 26 3HD PRO 26 -6.603 7.000 9.043 218 H LYS 27 H LYS 27 -7.269 8.743 5.623 219 HA LYS 27 HA LYS 27 -9.290 9.255 3.521 220 HB2 LYS 27 2HB LYS 27 -7.430 11.218 4.937 221 HB3 LYS 27 3HB LYS 27 -8.607 11.639 3.698 222 HG2 LYS 27 2HG LYS 27 -9.236 10.517 6.450 223 HG3 LYS 27 3HG LYS 27 -9.456 12.192 5.931 224 HD2 LYS 27 2HD LYS 27 -11.161 11.494 4.304 225 HD3 LYS 27 3HD LYS 27 -10.897 9.797 4.717 226 HE2 LYS 27 2HE LYS 27 -12.924 10.656 5.793 227 HE3 LYS 27 3HE LYS 27 -11.718 10.218 7.001 228 HZ1 LYS 27 3HZ LYS 27 -11.176 12.520 7.288 229 HZ2 LYS 27 1HZ LYS 27 -12.843 12.330 7.467 230 HZ3 LYS 27 2HZ LYS 27 -12.215 12.986 6.044 231 H ALA 28 H ALA 28 -6.124 8.135 3.863 232 HA ALA 28 HA ALA 28 -4.964 8.948 1.432 233 HB1 ALA 28 3HB ALA 28 -4.764 6.229 2.795 234 HB2 ALA 28 1HB ALA 28 -3.735 7.625 3.117 235 HB3 ALA 28 2HB ALA 28 -3.673 6.833 1.542 236 H THR 29 H THR 29 -5.327 8.339 -0.701 237 HA THR 29 HA THR 29 -7.812 6.969 -1.303 238 HB THR 29 HB THR 29 -5.679 7.964 -3.243 239 HG1 THR 29 HG1 THR 29 -6.449 9.692 -1.990 240 HG21 THR 29 3HG2 THR 29 -7.290 6.406 -4.284 241 HG22 THR 29 1HG2 THR 29 -7.530 8.052 -4.878 242 HG23 THR 29 2HG2 THR 29 -8.631 7.380 -3.674 243 H VAL 30 H VAL 30 -7.678 4.815 -0.854 244 HA VAL 30 HA VAL 30 -5.534 3.202 -2.108 245 HB VAL 30 HB VAL 30 -7.491 2.348 0.087 246 HG11 VAL 30 1HG1 VAL 30 -5.066 0.900 -1.065 247 HG12 VAL 30 2HG1 VAL 30 -6.756 0.468 -1.335 248 HG13 VAL 30 3HG1 VAL 30 -6.064 0.338 0.280 249 HG21 VAL 30 3HG2 VAL 30 -5.880 4.021 0.925 250 HG22 VAL 30 1HG2 VAL 30 -4.536 3.051 0.317 251 HG23 VAL 30 2HG2 VAL 30 -5.556 2.432 1.619 252 H THR 31 H THR 31 -6.173 2.759 -4.033 253 HA THR 31 HA THR 31 -8.916 1.875 -4.687 254 HB THR 31 HB THR 31 -6.761 3.127 -6.469 255 HG1 THR 31 HG1 THR 31 -8.190 4.349 -4.694 256 HG21 THR 31 3HG2 THR 31 -8.387 1.698 -7.728 257 HG22 THR 31 1HG2 THR 31 -8.504 3.407 -8.151 258 HG23 THR 31 2HG2 THR 31 -9.709 2.679 -7.089 259 H ARG 32 H ARG 32 -9.094 -0.132 -5.732 260 HA ARG 32 HA ARG 32 -6.660 -1.779 -5.957 261 HB2 ARG 32 2HB ARG 32 -8.154 -3.708 -6.082 262 HB3 ARG 32 3HB ARG 32 -8.573 -2.725 -4.685 263 HG2 ARG 32 2HG ARG 32 -10.497 -1.792 -5.879 264 HG3 ARG 32 3HG ARG 32 -10.065 -2.699 -7.328 265 HD2 ARG 32 2HD ARG 32 -10.410 -4.821 -6.035 266 HD3 ARG 32 3HD ARG 32 -10.977 -3.847 -4.667 267 HE ARG 32 HE ARG 32 -12.515 -2.990 -6.741 268 HH11 ARG 32 1HH1 ARG 32 -11.955 -6.184 -5.378 269 HH12 ARG 32 2HH1 ARG 32 -13.511 -6.778 -5.853 270 HH21 ARG 32 1HH2 ARG 32 -14.496 -3.801 -7.436 271 HH22 ARG 32 2HH2 ARG 32 -14.957 -5.422 -7.029 272 H THR 33 H THR 33 -5.923 -2.521 -7.866 273 HA THR 33 HA THR 33 -7.426 -2.110 -10.388 274 HB THR 33 HB THR 33 -5.163 -1.578 -11.480 275 HG1 THR 33 HG1 THR 33 -4.169 -2.238 -9.169 276 HG21 THR 33 3HG2 THR 33 -6.047 0.457 -9.391 277 HG22 THR 33 1HG2 THR 33 -6.754 0.272 -11.001 278 HG23 THR 33 2HG2 THR 33 -5.081 0.799 -10.825 279 H ASN 34 H ASN 34 -7.535 -4.244 -11.440 280 HA ASN 34 HA ASN 34 -7.054 -6.387 -9.819 281 HB2 ASN 34 2HB ASN 34 -7.595 -7.804 -11.798 282 HB3 ASN 34 3HB ASN 34 -8.706 -6.466 -11.588 283 HD21 ASN 34 1HD2 ASN 34 -7.991 -8.098 -13.971 284 HD22 ASN 34 2HD2 ASN 34 -7.534 -6.960 -15.189 285 H GLY 35 H GLY 35 -5.152 -6.989 -9.048 286 HA2 GLY 35 2HA GLY 35 -3.357 -8.628 -9.510 287 HA3 GLY 35 3HA GLY 35 -2.892 -7.625 -10.878 288 H ASP 36 H ASP 36 -3.371 -5.122 -9.433 289 HA ASP 36 HA ASP 36 -1.007 -5.089 -7.646 290 HB2 ASP 36 2HB ASP 36 -1.766 -2.974 -9.713 291 HB3 ASP 36 3HB ASP 36 -0.356 -2.930 -8.656 292 H ILE 37 H ILE 37 -0.895 -3.134 -6.274 293 HA ILE 37 HA ILE 37 -3.515 -2.087 -5.374 294 HB ILE 37 HB ILE 37 -0.735 -1.804 -4.112 295 HG12 ILE 37 2HG1 ILE 37 -1.571 -4.128 -3.983 296 HG13 ILE 37 3HG1 ILE 37 -1.531 -3.396 -2.385 297 HG21 ILE 37 1HG2 ILE 37 -1.874 -0.921 -2.095 298 HG22 ILE 37 2HG2 ILE 37 -3.420 -0.952 -2.946 299 HG23 ILE 37 3HG2 ILE 37 -2.135 0.124 -3.494 300 HD11 ILE 37 3HD1 ILE 37 -3.975 -3.039 -2.517 301 HD12 ILE 37 1HD1 ILE 37 -3.520 -4.738 -2.653 302 HD13 ILE 37 2HD1 ILE 37 -3.985 -3.834 -4.093 303 H LYS 38 H LYS 38 -3.899 0.173 -5.300 304 HA LYS 38 HA LYS 38 -2.033 1.981 -6.737 305 HB2 LYS 38 2HB LYS 38 -3.930 1.328 -8.210 306 HB3 LYS 38 3HB LYS 38 -5.084 1.790 -6.969 307 HG2 LYS 38 2HG LYS 38 -5.097 3.502 -8.616 308 HG3 LYS 38 3HG LYS 38 -4.269 4.166 -7.206 309 HD2 LYS 38 2HD LYS 38 -2.085 3.766 -8.297 310 HD3 LYS 38 3HD LYS 38 -2.907 3.073 -9.703 311 HE2 LYS 38 2HE LYS 38 -3.253 5.924 -8.714 312 HE3 LYS 38 3HE LYS 38 -2.212 5.439 -10.049 313 HZ1 LYS 38 3HZ LYS 38 -4.315 6.281 -10.846 314 HZ2 LYS 38 1HZ LYS 38 -5.165 5.132 -9.947 315 HZ3 LYS 38 2HZ LYS 38 -4.175 4.643 -11.225 316 H LEU 39 H LEU 39 -1.317 3.341 -5.125 317 HA LEU 39 HA LEU 39 -3.232 4.232 -3.026 318 HB2 LEU 39 2HB LEU 39 -1.863 2.527 -2.009 319 HB3 LEU 39 3HB LEU 39 -0.391 3.205 -2.679 320 HG LEU 39 HG LEU 39 -0.551 5.145 -1.150 321 HD11 LEU 39 1HD1 LEU 39 -2.223 5.275 0.639 322 HD12 LEU 39 2HD1 LEU 39 -3.047 3.855 -0.008 323 HD13 LEU 39 3HD1 LEU 39 -2.991 5.347 -0.949 324 HD21 LEU 39 3HD2 LEU 39 -0.800 2.488 0.303 325 HD22 LEU 39 1HD2 LEU 39 -0.102 3.968 0.969 326 HD23 LEU 39 2HD2 LEU 39 0.676 3.165 -0.391 327 H ASP 40 H ASP 40 -3.233 6.360 -2.628 328 HA ASP 40 HA ASP 40 -1.153 8.070 -3.863 329 HB2 ASP 40 2HB ASP 40 -3.397 8.517 -4.765 330 HB3 ASP 40 3HB ASP 40 -4.041 8.725 -3.141 331 H ALA 41 H ALA 41 0.326 8.371 -2.302 332 HA ALA 41 HA ALA 41 -0.386 9.111 0.434 333 HB1 ALA 41 3HB ALA 41 1.638 7.783 0.024 334 HB2 ALA 41 1HB ALA 41 2.053 9.333 0.758 335 HB3 ALA 41 2HB ALA 41 2.307 9.075 -0.970 336 H GLN 42 H GLN 42 -0.087 11.166 1.334 337 HA GLN 42 HA GLN 42 -0.684 13.436 -0.244 338 HB2 GLN 42 2HB GLN 42 -1.198 13.072 2.230 339 HB3 GLN 42 3HB GLN 42 0.488 13.398 2.583 340 HG2 GLN 42 2HG GLN 42 -1.290 15.421 1.198 341 HG3 GLN 42 3HG GLN 42 -1.207 15.292 2.950 342 HE21 GLN 42 1HE2 GLN 42 0.788 15.823 3.995 343 HE22 GLN 42 2HE2 GLN 42 1.926 16.875 3.233 344 H THR 43 H THR 43 2.314 12.450 1.393 345 HA THR 43 HA THR 43 3.956 13.928 -0.554 346 HB THR 43 HB THR 43 3.838 15.472 1.323 347 HG1 THR 43 HG1 THR 43 5.906 15.352 0.487 348 HG21 THR 43 3HG2 THR 43 4.729 13.209 3.142 349 HG22 THR 43 1HG2 THR 43 3.105 13.900 3.091 350 HG23 THR 43 2HG2 THR 43 4.469 14.885 3.623 351 H GLU 44 H GLU 44 6.339 13.217 -0.341 352 HA GLU 44 HA GLU 44 6.537 10.388 -0.440 353 HB2 GLU 44 2HB GLU 44 8.677 12.542 -0.386 354 HB3 GLU 44 3HB GLU 44 9.087 10.828 -0.395 355 HG2 GLU 44 2HG GLU 44 7.719 10.639 -2.548 356 HG3 GLU 44 3HG GLU 44 7.678 12.404 -2.561 357 H LYS 45 H LYS 45 7.145 12.725 2.146 358 HA LYS 45 HA LYS 45 8.449 10.929 3.936 359 HB2 LYS 45 2HB LYS 45 6.887 13.484 4.503 360 HB3 LYS 45 3HB LYS 45 7.703 12.557 5.757 361 HG2 LYS 45 2HG LYS 45 9.250 14.238 5.274 362 HG3 LYS 45 3HG LYS 45 9.850 12.869 4.343 363 HD2 LYS 45 2HD LYS 45 10.027 14.782 2.921 364 HD3 LYS 45 3HD LYS 45 8.654 13.849 2.320 365 HE2 LYS 45 2HE LYS 45 8.087 16.218 2.331 366 HE3 LYS 45 3HE LYS 45 7.116 15.385 3.544 367 HZ1 LYS 45 3HZ LYS 45 8.552 16.214 5.261 368 HZ2 LYS 45 1HZ LYS 45 8.037 17.516 4.314 369 HZ3 LYS 45 2HZ LYS 45 9.603 16.902 4.134 370 H GLU 46 H GLU 46 5.099 11.491 3.115 371 HA GLU 46 HA GLU 46 3.988 9.946 5.298 372 HB2 GLU 46 2HB GLU 46 2.799 11.872 4.031 373 HB3 GLU 46 3HB GLU 46 2.609 10.752 2.690 374 HG2 GLU 46 2HG GLU 46 0.556 10.758 3.889 375 HG3 GLU 46 3HG GLU 46 1.343 9.224 4.250 376 H ALA 47 H ALA 47 4.929 9.561 1.931 377 HA ALA 47 HA ALA 47 3.940 6.938 1.489 378 HB1 ALA 47 3HB ALA 47 4.458 8.487 -0.349 379 HB2 ALA 47 1HB ALA 47 5.337 6.968 -0.530 380 HB3 ALA 47 2HB ALA 47 6.174 8.412 0.052 381 H GLU 48 H GLU 48 6.942 8.174 2.938 382 HA GLU 48 HA GLU 48 8.543 5.856 2.789 383 HB2 GLU 48 2HB GLU 48 8.471 7.896 5.064 384 HB3 GLU 48 3HB GLU 48 9.738 6.704 4.809 385 HG2 GLU 48 2HG GLU 48 9.099 9.097 3.089 386 HG3 GLU 48 3HG GLU 48 10.522 8.850 4.091 387 H LYS 49 H LYS 49 6.036 6.860 4.974 388 HA LYS 49 HA LYS 49 6.329 4.727 6.898 389 HB2 LYS 49 2HB LYS 49 4.105 6.783 6.484 390 HB3 LYS 49 3HB LYS 49 4.341 5.794 7.924 391 HG2 LYS 49 2HG LYS 49 6.323 6.978 8.547 392 HG3 LYS 49 3HG LYS 49 6.455 7.742 6.961 393 HD2 LYS 49 2HD LYS 49 5.653 9.349 8.625 394 HD3 LYS 49 3HD LYS 49 4.425 9.060 7.401 395 HE2 LYS 49 2HE LYS 49 3.476 9.193 9.677 396 HE3 LYS 49 3HE LYS 49 3.198 7.621 8.941 397 HZ1 LYS 49 3HZ LYS 49 5.006 6.718 10.241 398 HZ2 LYS 49 1HZ LYS 49 3.879 7.458 11.261 399 HZ3 LYS 49 2HZ LYS 49 5.335 8.236 10.901 400 H MET 50 H MET 50 3.855 5.704 4.592 401 HA MET 50 HA MET 50 2.145 3.554 4.553 402 HB2 MET 50 2HB MET 50 2.982 5.261 2.184 403 HB3 MET 50 3HB MET 50 1.690 4.070 2.087 404 HG2 MET 50 2HG MET 50 0.501 5.278 3.923 405 HG3 MET 50 3HG MET 50 1.759 6.516 3.864 406 HE1 MET 50 3HE MET 50 -1.351 8.277 2.239 407 HE2 MET 50 1HE MET 50 -0.175 8.317 3.551 408 HE3 MET 50 2HE MET 50 -1.417 7.066 3.520 409 H GLU 51 H GLU 51 4.979 3.732 2.315 410 HA GLU 51 HA GLU 51 4.782 1.082 1.379 411 HB2 GLU 51 2HB GLU 51 6.950 1.424 0.368 412 HB3 GLU 51 3HB GLU 51 6.053 2.928 0.264 413 HG2 GLU 51 2HG GLU 51 8.034 3.830 0.941 414 HG3 GLU 51 3HG GLU 51 7.408 3.440 2.528 415 H LYS 52 H LYS 52 6.254 2.392 4.257 416 HA LYS 52 HA LYS 52 7.778 0.067 4.988 417 HB2 LYS 52 2HB LYS 52 8.173 2.440 5.779 418 HB3 LYS 52 3HB LYS 52 6.748 2.289 6.797 419 HG2 LYS 52 2HG LYS 52 8.753 1.975 8.113 420 HG3 LYS 52 3HG LYS 52 7.855 0.459 8.047 421 HD2 LYS 52 2HD LYS 52 10.273 0.052 7.802 422 HD3 LYS 52 3HD LYS 52 9.417 -0.398 6.328 423 HE2 LYS 52 2HE LYS 52 11.495 0.785 5.778 424 HE3 LYS 52 3HE LYS 52 10.100 1.743 5.284 425 HZ1 LYS 52 3HZ LYS 52 11.779 3.106 6.348 426 HZ2 LYS 52 1HZ LYS 52 11.692 2.171 7.757 427 HZ3 LYS 52 2HZ LYS 52 10.362 3.088 7.266 428 H ALA 53 H ALA 53 4.549 1.243 5.675 429 HA ALA 53 HA ALA 53 3.710 -0.682 7.544 430 HB1 ALA 53 3HB ALA 53 2.565 1.476 7.182 431 HB2 ALA 53 1HB ALA 53 1.449 0.121 7.037 432 HB3 ALA 53 2HB ALA 53 2.040 0.937 5.587 433 H VAL 54 H VAL 54 3.746 -0.601 4.028 434 HA VAL 54 HA VAL 54 2.327 -2.980 3.460 435 HB VAL 54 HB VAL 54 4.617 -1.639 1.952 436 HG11 VAL 54 1HG1 VAL 54 2.702 -3.757 0.910 437 HG12 VAL 54 2HG1 VAL 54 4.421 -3.989 1.238 438 HG13 VAL 54 3HG1 VAL 54 3.908 -2.887 -0.039 439 HG21 VAL 54 3HG2 VAL 54 1.605 -1.454 1.531 440 HG22 VAL 54 1HG2 VAL 54 2.839 -0.670 0.540 441 HG23 VAL 54 2HG2 VAL 54 2.634 -0.200 2.227 442 H LYS 55 H LYS 55 5.799 -2.396 4.104 443 HA LYS 55 HA LYS 55 6.804 -4.997 3.840 444 HB2 LYS 55 2HB LYS 55 7.707 -2.743 5.666 445 HB3 LYS 55 3HB LYS 55 8.619 -4.236 5.461 446 HG2 LYS 55 2HG LYS 55 8.985 -3.744 3.107 447 HG3 LYS 55 3HG LYS 55 7.977 -2.293 3.218 448 HD2 LYS 55 2HD LYS 55 9.554 -1.248 4.749 449 HD3 LYS 55 3HD LYS 55 10.515 -2.728 4.848 450 HE2 LYS 55 2HE LYS 55 11.543 -1.013 3.388 451 HE3 LYS 55 3HE LYS 55 11.174 -2.504 2.521 452 HZ1 LYS 55 3HZ LYS 55 10.590 -0.431 1.323 453 HZ2 LYS 55 1HZ LYS 55 9.418 -0.113 2.495 454 HZ3 LYS 55 2HZ LYS 55 9.295 -1.492 1.522 455 H LYS 56 H LYS 56 5.070 -3.531 6.543 456 HA LYS 56 HA LYS 56 5.660 -5.371 8.602 457 HB2 LYS 56 2HB LYS 56 3.140 -3.701 8.156 458 HB3 LYS 56 3HB LYS 56 3.504 -4.562 9.648 459 HG2 LYS 56 2HG LYS 56 5.501 -3.156 9.986 460 HG3 LYS 56 3HG LYS 56 5.166 -2.315 8.472 461 HD2 LYS 56 2HD LYS 56 4.416 -0.911 10.286 462 HD3 LYS 56 3HD LYS 56 2.990 -1.511 9.445 463 HE2 LYS 56 2HE LYS 56 4.061 -2.716 12.025 464 HE3 LYS 56 3HE LYS 56 2.820 -1.468 11.968 465 HZ1 LYS 56 3HZ LYS 56 1.741 -3.535 12.193 466 HZ2 LYS 56 1HZ LYS 56 2.623 -4.241 10.936 467 HZ3 LYS 56 2HZ LYS 56 1.481 -3.044 10.599 468 H VAL 57 H VAL 57 3.482 -5.559 5.905 469 HA VAL 57 HA VAL 57 2.145 -8.015 6.779 470 HB VAL 57 HB VAL 57 1.865 -6.239 4.310 471 HG11 VAL 57 1HG1 VAL 57 0.228 -8.707 4.996 472 HG12 VAL 57 2HG1 VAL 57 1.322 -8.518 3.623 473 HG13 VAL 57 3HG1 VAL 57 -0.148 -7.551 3.713 474 HG21 VAL 57 3HG2 VAL 57 -0.000 -6.643 6.683 475 HG22 VAL 57 1HG2 VAL 57 -0.318 -5.608 5.284 476 HG23 VAL 57 2HG2 VAL 57 1.008 -5.226 6.383 477 H LYS 58 H LYS 58 4.814 -7.036 4.739 478 HA LYS 58 HA LYS 58 5.269 -9.679 3.687 479 HB2 LYS 58 2HB LYS 58 5.146 -8.878 1.226 480 HB3 LYS 58 3HB LYS 58 3.631 -9.212 2.051 481 HG2 LYS 58 2HG LYS 58 3.418 -6.732 2.493 482 HG3 LYS 58 3HG LYS 58 4.816 -6.487 1.454 483 HD2 LYS 58 2HD LYS 58 2.274 -7.869 0.520 484 HD3 LYS 58 3HD LYS 58 2.523 -6.132 0.387 485 HE2 LYS 58 2HE LYS 58 3.034 -7.070 -1.740 486 HE3 LYS 58 3HE LYS 58 4.575 -6.633 -1.008 487 HZ1 LYS 58 3HZ LYS 58 4.983 -8.916 -0.496 488 HZ2 LYS 58 1HZ LYS 58 4.543 -8.821 -2.124 489 HZ3 LYS 58 2HZ LYS 58 3.431 -9.370 -0.979 490 HA PRO 59 HA PRO 59 9.278 -7.597 4.523 491 HB2 PRO 59 2HB PRO 59 10.311 -10.339 3.777 492 HB3 PRO 59 3HB PRO 59 10.654 -9.345 5.213 493 HG2 PRO 59 2HG PRO 59 9.057 -11.448 5.419 494 HG3 PRO 59 3HG PRO 59 8.671 -9.940 6.284 495 HD2 PRO 59 2HD PRO 59 7.467 -11.008 3.728 496 HD3 PRO 59 3HD PRO 59 6.667 -10.244 5.121 497 H ASN 60 H ASN 60 8.737 -9.689 1.696 498 HA ASN 60 HA ASN 60 10.870 -8.361 0.153 499 HB2 ASN 60 2HB ASN 60 9.197 -10.845 -0.428 500 HB3 ASN 60 3HB ASN 60 10.432 -10.206 -1.511 501 HD21 ASN 60 1HD2 ASN 60 9.872 -11.674 1.612 502 HD22 ASN 60 2HD2 ASN 60 11.495 -12.200 1.868 503 H ALA 61 H ALA 61 8.223 -7.123 0.852 504 HA ALA 61 HA ALA 61 6.417 -6.731 -1.108 505 HB1 ALA 61 3HB ALA 61 6.119 -4.441 -0.204 506 HB2 ALA 61 1HB ALA 61 7.683 -4.561 0.612 507 HB3 ALA 61 2HB ALA 61 6.355 -5.620 1.084 508 H THR 62 H THR 62 6.667 -6.396 -3.249 509 HA THR 62 HA THR 62 8.863 -4.774 -4.308 510 HB THR 62 HB THR 62 6.611 -6.124 -5.871 511 HG1 THR 62 HG1 THR 62 7.775 -7.712 -4.720 512 HG21 THR 62 3HG2 THR 62 8.201 -6.008 -7.758 513 HG22 THR 62 1HG2 THR 62 9.384 -5.194 -6.731 514 HG23 THR 62 2HG2 THR 62 7.859 -4.396 -7.131 515 H ILE 63 H ILE 63 8.438 -2.697 -3.822 516 HA ILE 63 HA ILE 63 5.734 -1.590 -4.244 517 HB ILE 63 HB ILE 63 8.059 -0.493 -2.579 518 HG12 ILE 63 2HG1 ILE 63 5.505 -1.844 -1.569 519 HG13 ILE 63 3HG1 ILE 63 7.045 -2.680 -1.730 520 HG21 ILE 63 1HG2 ILE 63 5.150 0.422 -2.717 521 HG22 ILE 63 2HG2 ILE 63 6.536 1.288 -3.381 522 HG23 ILE 63 3HG2 ILE 63 6.383 1.077 -1.636 523 HD11 ILE 63 3HD1 ILE 63 6.439 -0.369 0.096 524 HD12 ILE 63 1HD1 ILE 63 8.026 -1.121 -0.099 525 HD13 ILE 63 2HD1 ILE 63 6.677 -2.058 0.541 526 H ARG 64 H ARG 64 5.553 -0.553 -6.063 527 HA ARG 64 HA ARG 64 7.824 0.591 -7.521 528 HB2 ARG 64 2HB ARG 64 4.868 0.738 -8.280 529 HB3 ARG 64 3HB ARG 64 6.263 0.941 -9.337 530 HG2 ARG 64 2HG ARG 64 6.788 -1.457 -9.126 531 HG3 ARG 64 3HG ARG 64 5.427 -1.664 -8.018 532 HD2 ARG 64 2HD ARG 64 3.964 -0.728 -9.943 533 HD3 ARG 64 3HD ARG 64 5.365 -1.030 -10.974 534 HE ARG 64 HE ARG 64 5.080 -3.430 -9.876 535 HH11 ARG 64 1HH1 ARG 64 2.534 -1.298 -11.093 536 HH12 ARG 64 2HH1 ARG 64 1.495 -2.618 -11.534 537 HH21 ARG 64 1HH2 ARG 64 3.726 -5.121 -10.535 538 HH22 ARG 64 2HH2 ARG 64 2.166 -4.776 -11.216 539 H LYS 65 H LYS 65 8.456 2.371 -6.362 540 HA LYS 65 HA LYS 65 6.414 4.132 -5.157 541 HB2 LYS 65 2HB LYS 65 8.249 3.067 -3.760 542 HB3 LYS 65 3HB LYS 65 9.425 4.028 -4.646 543 HG2 LYS 65 2HG LYS 65 8.555 6.077 -3.718 544 HG3 LYS 65 3HG LYS 65 7.163 5.237 -3.038 545 HD2 LYS 65 2HD LYS 65 8.701 3.949 -1.539 546 HD3 LYS 65 3HD LYS 65 10.062 4.878 -2.180 547 HE2 LYS 65 2HE LYS 65 7.684 6.029 -0.679 548 HE3 LYS 65 3HE LYS 65 9.292 5.760 -0.011 549 HZ1 LYS 65 3HZ LYS 65 8.583 7.656 -2.188 550 HZ2 LYS 65 1HZ LYS 65 10.158 7.349 -1.653 551 HZ3 LYS 65 2HZ LYS 65 9.036 8.046 -0.603 552 H THR 66 H THR 66 5.795 5.519 -6.623 553 HA THR 66 HA THR 66 7.682 7.238 -8.079 554 HB THR 66 HB THR 66 7.194 5.449 -9.654 555 HG1 THR 66 HG1 THR 66 7.181 7.343 -10.744 556 HG21 THR 66 3HG2 THR 66 4.932 4.812 -10.364 557 HG22 THR 66 1HG2 THR 66 4.229 5.917 -9.181 558 HG23 THR 66 2HG2 THR 66 5.152 4.512 -8.640 559 H GLY 67 H GLY 67 5.993 8.868 -9.405 560 HA2 GLY 67 2HA GLY 67 3.547 9.501 -8.046 561 HA3 GLY 67 3HA GLY 67 4.849 10.602 -7.595 562 H GLY 68 H GLY 68 4.851 9.198 -10.759 563 HA2 GLY 68 2HA GLY 68 4.378 11.765 -12.049 564 HA3 GLY 68 3HA GLY 68 4.856 10.258 -12.824 565 H SER 69 H SER 69 2.129 11.421 -10.870 566 HA SER 69 HA SER 69 0.207 9.862 -12.399 567 HB2 SER 69 2HB SER 69 -0.203 11.699 -9.994 568 HB3 SER 69 3HB SER 69 -1.361 10.523 -10.623 569 HG SER 69 HG SER 69 0.592 9.013 -10.203 570 H LEU 70 H LEU 70 0.458 10.998 -14.395 571 HA LEU 70 HA LEU 70 -0.899 13.620 -14.536 572 HB2 LEU 70 2HB LEU 70 1.624 13.893 -14.664 573 HB3 LEU 70 3HB LEU 70 1.608 12.907 -16.117 574 HG LEU 70 HG LEU 70 0.134 14.625 -17.218 575 HD11 LEU 70 1HD1 LEU 70 0.672 16.259 -14.714 576 HD12 LEU 70 2HD1 LEU 70 -0.892 15.638 -15.250 577 HD13 LEU 70 3HD1 LEU 70 -0.063 16.868 -16.198 578 HD21 LEU 70 3HD2 LEU 70 2.551 14.637 -17.625 579 HD22 LEU 70 1HD2 LEU 70 2.805 15.669 -16.212 580 HD23 LEU 70 2HD2 LEU 70 1.912 16.278 -17.609 581 H GLU 71 H GLU 71 -2.172 13.880 -16.324 582 HA GLU 71 HA GLU 71 -3.147 11.563 -17.684 583 HB2 GLU 71 2HB GLU 71 -4.698 13.141 -18.779 584 HB3 GLU 71 3HB GLU 71 -4.637 13.418 -17.041 585 HG2 GLU 71 2HG GLU 71 -3.257 15.386 -17.323 586 HG3 GLU 71 3HG GLU 71 -3.052 15.068 -19.044 587 H HIS 72 H HIS 72 -3.381 11.424 -20.056 588 HA HIS 72 HA HIS 72 -1.586 13.041 -21.707 589 HB2 HIS 72 2HB HIS 72 -0.443 11.241 -22.746 590 HB3 HIS 72 3HB HIS 72 -0.408 10.836 -21.038 591 HD1 HIS 72 HD1 HIS 72 -0.532 9.103 -23.955 592 HD2 HIS 72 HD2 HIS 72 -3.116 9.098 -20.703 593 HE1 HIS 72 HE1 HIS 72 -1.746 6.908 -24.063 594 HE2 HIS 72 HE2 HIS 72 -3.155 6.860 -21.985 595 H HIS 73 H HIS 73 -4.662 11.940 -21.168 596 HA HIS 73 HA HIS 73 -5.461 11.589 -23.914 597 HB2 HIS 73 2HB HIS 73 -7.798 11.632 -23.109 598 HB3 HIS 73 3HB HIS 73 -6.811 10.455 -22.270 599 HD1 HIS 73 HD1 HIS 73 -6.339 13.776 -20.736 600 HD2 HIS 73 HD2 HIS 73 -9.131 10.697 -20.465 601 HE1 HIS 73 HE1 HIS 73 -7.577 14.157 -18.594 602 HE2 HIS 73 HE2 HIS 73 -9.330 12.371 -18.514 603 H HIS 74 H HIS 74 -4.737 13.299 -25.046 604 HA HIS 74 HA HIS 74 -5.435 16.037 -24.379 605 HB2 HIS 74 2HB HIS 74 -3.971 14.831 -26.767 606 HB3 HIS 74 3HB HIS 74 -4.342 16.548 -26.637 607 HD1 HIS 74 HD1 HIS 74 -2.801 17.966 -25.235 608 HD2 HIS 74 HD2 HIS 74 -2.060 13.902 -24.786 609 HE1 HIS 74 HE1 HIS 74 -0.716 17.811 -23.851 610 HE2 HIS 74 HE2 HIS 74 -0.338 15.353 -23.507 611 H HIS 75 H HIS 75 -7.706 15.682 -24.294 612 HA HIS 75 HA HIS 75 -8.923 16.535 -26.821 613 HB2 HIS 75 2HB HIS 75 -9.540 14.127 -26.609 614 HB3 HIS 75 3HB HIS 75 -10.170 14.421 -24.993 615 HD1 HIS 75 HD1 HIS 75 -10.965 15.077 -28.626 616 HD2 HIS 75 HD2 HIS 75 -12.782 15.437 -24.902 617 HE1 HIS 75 HE1 HIS 75 -13.356 15.697 -29.092 618 HE2 HIS 75 HE2 HIS 75 -14.371 16.090 -26.835 619 H HIS 76 H HIS 76 -8.665 18.575 -25.929 620 HA HIS 76 HA HIS 76 -10.398 19.310 -23.627 621 HB2 HIS 76 2HB HIS 76 -7.697 20.560 -24.341 622 HB3 HIS 76 3HB HIS 76 -8.710 20.980 -22.964 623 HD1 HIS 76 HD1 HIS 76 -5.789 19.113 -23.733 624 HD2 HIS 76 HD2 HIS 76 -9.036 18.467 -21.218 625 HE1 HIS 76 HE1 HIS 76 -5.030 17.371 -22.080 626 HE2 HIS 76 HE2 HIS 76 -6.965 17.102 -20.495 627 H HIS 77 H HIS 77 -10.310 22.027 -23.769 628 HA HIS 77 HA HIS 77 -10.576 23.035 -26.451 629 HB2 HIS 77 2HB HIS 77 -13.002 23.780 -26.178 630 HB3 HIS 77 3HB HIS 77 -12.765 22.061 -26.444 631 HD1 HIS 77 HD1 HIS 77 -14.305 24.457 -24.137 632 HD2 HIS 77 HD2 HIS 77 -13.234 20.448 -24.067 633 HE1 HIS 77 HE1 HIS 77 -15.586 23.455 -22.228 634 HE2 HIS 77 HE2 HIS 77 -15.058 21.001 -22.321 Start of MODEL 4 1 H1 MET 1 1H MET 1 -0.302 12.219 -3.425 2 H2 MET 1 2H MET 1 -0.472 13.904 -3.498 3 H3 MET 1 3H MET 1 1.002 13.221 -3.027 4 HA MET 1 HA MET 1 -0.255 12.879 -5.677 5 HB2 MET 1 2HB MET 1 1.462 14.417 -6.557 6 HB3 MET 1 3HB MET 1 0.412 15.188 -5.388 7 HG2 MET 1 2HG MET 1 2.185 15.040 -3.684 8 HG3 MET 1 3HG MET 1 3.247 14.276 -4.874 9 HE1 MET 1 3HE MET 1 4.088 16.942 -3.258 10 HE2 MET 1 1HE MET 1 4.778 17.919 -4.553 11 HE3 MET 1 2HE MET 1 5.130 16.194 -4.470 12 H VAL 2 H VAL 2 1.918 11.656 -3.406 13 HA VAL 2 HA VAL 2 3.932 10.725 -5.297 14 HB VAL 2 HB VAL 2 3.690 10.231 -2.286 15 HG11 VAL 2 1HG1 VAL 2 6.068 9.843 -4.148 16 HG12 VAL 2 2HG1 VAL 2 5.115 8.558 -3.404 17 HG13 VAL 2 3HG1 VAL 2 6.085 9.631 -2.395 18 HG21 VAL 2 3HG2 VAL 2 5.310 12.344 -3.771 19 HG22 VAL 2 1HG2 VAL 2 5.351 12.045 -2.031 20 HG23 VAL 2 2HG2 VAL 2 3.875 12.638 -2.787 21 H ASP 3 H ASP 3 3.625 8.880 -6.389 22 HA ASP 3 HA ASP 3 1.400 7.126 -5.764 23 HB2 ASP 3 2HB ASP 3 1.782 7.699 -8.095 24 HB3 ASP 3 3HB ASP 3 3.444 7.121 -8.020 25 H LEU 4 H LEU 4 1.561 5.445 -4.466 26 HA LEU 4 HA LEU 4 3.995 3.739 -4.478 27 HB2 LEU 4 2HB LEU 4 1.776 3.931 -2.386 28 HB3 LEU 4 3HB LEU 4 3.155 2.844 -2.306 29 HG LEU 4 HG LEU 4 3.358 5.885 -2.208 30 HD11 LEU 4 1HD1 LEU 4 3.530 3.877 0.062 31 HD12 LEU 4 2HD1 LEU 4 2.217 5.023 -0.223 32 HD13 LEU 4 3HD1 LEU 4 3.823 5.614 0.178 33 HD21 LEU 4 3HD2 LEU 4 5.380 4.831 -3.102 34 HD22 LEU 4 1HD2 LEU 4 5.461 3.754 -1.704 35 HD23 LEU 4 2HD2 LEU 4 5.674 5.496 -1.498 36 H LYS 5 H LYS 5 3.590 2.159 -5.970 37 HA LYS 5 HA LYS 5 0.864 0.976 -6.111 38 HB2 LYS 5 2HB LYS 5 1.611 2.346 -8.108 39 HB3 LYS 5 3HB LYS 5 2.924 1.201 -8.368 40 HG2 LYS 5 2HG LYS 5 1.307 -0.604 -8.767 41 HG3 LYS 5 3HG LYS 5 -0.036 0.482 -8.410 42 HD2 LYS 5 2HD LYS 5 1.905 0.810 -10.731 43 HD3 LYS 5 3HD LYS 5 0.303 0.092 -10.846 44 HE2 LYS 5 2HE LYS 5 -0.004 2.286 -11.618 45 HE3 LYS 5 3HE LYS 5 -0.578 2.356 -9.956 46 HZ1 LYS 5 3HZ LYS 5 0.792 4.258 -10.505 47 HZ2 LYS 5 1HZ LYS 5 2.096 3.267 -10.908 48 HZ3 LYS 5 2HZ LYS 5 1.546 3.344 -9.311 49 H ILE 6 H ILE 6 0.896 -1.057 -5.275 50 HA ILE 6 HA ILE 6 3.535 -2.298 -4.774 51 HB ILE 6 HB ILE 6 0.947 -2.507 -3.145 52 HG12 ILE 6 2HG1 ILE 6 2.559 -1.556 -1.288 53 HG13 ILE 6 3HG1 ILE 6 3.577 -1.057 -2.630 54 HG21 ILE 6 1HG2 ILE 6 3.617 -3.885 -2.638 55 HG22 ILE 6 2HG2 ILE 6 2.123 -4.675 -3.151 56 HG23 ILE 6 3HG2 ILE 6 2.218 -3.921 -1.562 57 HD11 ILE 6 3HD1 ILE 6 2.183 0.756 -1.811 58 HD12 ILE 6 1HD1 ILE 6 0.729 -0.184 -2.149 59 HD13 ILE 6 2HD1 ILE 6 1.766 0.347 -3.475 60 H ASP 7 H ASP 7 3.874 -4.065 -5.990 61 HA ASP 7 HA ASP 7 1.856 -5.635 -7.263 62 HB2 ASP 7 2HB ASP 7 4.207 -5.578 -8.088 63 HB3 ASP 7 3HB ASP 7 4.774 -6.294 -6.579 64 H VAL 8 H VAL 8 0.648 -7.265 -6.374 65 HA VAL 8 HA VAL 8 1.352 -8.384 -3.736 66 HB VAL 8 HB VAL 8 -1.113 -8.587 -3.212 67 HG11 VAL 8 1HG1 VAL 8 -1.431 -6.259 -2.476 68 HG12 VAL 8 2HG1 VAL 8 -0.141 -5.723 -3.557 69 HG13 VAL 8 3HG1 VAL 8 0.232 -6.790 -2.199 70 HG21 VAL 8 3HG2 VAL 8 -1.515 -6.700 -5.575 71 HG22 VAL 8 1HG2 VAL 8 -2.760 -7.176 -4.412 72 HG23 VAL 8 2HG2 VAL 8 -2.048 -8.379 -5.486 73 H SER 9 H SER 9 1.412 -10.515 -3.704 74 HA SER 9 HA SER 9 1.148 -12.033 -6.152 75 HB2 SER 9 2HB SER 9 3.123 -12.297 -4.648 76 HB3 SER 9 3HB SER 9 2.069 -12.896 -3.368 77 HG SER 9 HG SER 9 2.320 -14.083 -5.929 78 H ASP 10 H ASP 10 -0.680 -11.476 -3.274 79 HA ASP 10 HA ASP 10 -2.552 -13.688 -3.894 80 HB2 ASP 10 2HB ASP 10 -1.115 -14.335 -1.992 81 HB3 ASP 10 3HB ASP 10 -1.530 -12.860 -1.139 82 H ASP 11 H ASP 11 -4.683 -13.374 -3.023 83 HA ASP 11 HA ASP 11 -5.702 -10.749 -3.667 84 HB2 ASP 11 2HB ASP 11 -6.718 -12.877 -4.505 85 HB3 ASP 11 3HB ASP 11 -7.166 -13.311 -2.862 86 H GLU 12 H GLU 12 -5.902 -12.966 -0.847 87 HA GLU 12 HA GLU 12 -7.250 -11.160 0.890 88 HB2 GLU 12 2HB GLU 12 -7.090 -13.672 1.210 89 HB3 GLU 12 3HB GLU 12 -5.426 -13.448 1.747 90 HG2 GLU 12 2HG GLU 12 -6.326 -11.906 3.560 91 HG3 GLU 12 3HG GLU 12 -7.948 -12.409 3.086 92 H GLU 13 H GLU 13 -3.834 -11.745 0.228 93 HA GLU 13 HA GLU 13 -2.584 -10.141 2.138 94 HB2 GLU 13 2HB GLU 13 -1.323 -11.636 0.717 95 HB3 GLU 13 3HB GLU 13 -1.841 -10.790 -0.739 96 HG2 GLU 13 2HG GLU 13 -0.550 -8.797 -0.014 97 HG3 GLU 13 3HG GLU 13 -0.007 -9.678 1.413 98 H ALA 14 H ALA 14 -3.913 -9.311 -1.047 99 HA ALA 14 HA ALA 14 -3.252 -6.587 -1.149 100 HB1 ALA 14 3HB ALA 14 -5.626 -8.047 -2.355 101 HB2 ALA 14 1HB ALA 14 -4.044 -7.810 -3.098 102 HB3 ALA 14 2HB ALA 14 -5.098 -6.427 -2.809 103 H GLU 15 H GLU 15 -6.136 -8.220 0.210 104 HA GLU 15 HA GLU 15 -7.624 -6.033 1.075 105 HB2 GLU 15 2HB GLU 15 -7.332 -8.745 2.428 106 HB3 GLU 15 3HB GLU 15 -8.628 -7.600 2.739 107 HG2 GLU 15 2HG GLU 15 -8.099 -8.980 0.102 108 HG3 GLU 15 3HG GLU 15 -9.310 -9.474 1.278 109 H LYS 16 H LYS 16 -4.977 -7.739 2.665 110 HA LYS 16 HA LYS 16 -5.002 -6.478 5.178 111 HB2 LYS 16 2HB LYS 16 -2.664 -7.680 3.644 112 HB3 LYS 16 3HB LYS 16 -2.610 -7.231 5.341 113 HG2 LYS 16 2HG LYS 16 -4.459 -9.333 4.200 114 HG3 LYS 16 3HG LYS 16 -2.876 -9.670 4.900 115 HD2 LYS 16 2HD LYS 16 -3.715 -8.603 7.056 116 HD3 LYS 16 3HD LYS 16 -5.325 -8.557 6.322 117 HE2 LYS 16 2HE LYS 16 -3.656 -11.034 6.892 118 HE3 LYS 16 3HE LYS 16 -5.140 -10.545 7.710 119 HZ1 LYS 16 3HZ LYS 16 -5.661 -12.229 6.125 120 HZ2 LYS 16 1HZ LYS 16 -4.873 -11.390 4.883 121 HZ3 LYS 16 2HZ LYS 16 -6.286 -10.767 5.557 122 H ILE 17 H ILE 17 -3.210 -5.720 2.180 123 HA ILE 17 HA ILE 17 -1.564 -3.665 3.198 124 HB ILE 17 HB ILE 17 -2.510 -4.076 0.308 125 HG12 ILE 17 2HG1 ILE 17 -1.377 -6.076 1.092 126 HG13 ILE 17 3HG1 ILE 17 -0.275 -5.228 0.017 127 HG21 ILE 17 1HG2 ILE 17 -1.598 -1.810 0.587 128 HG22 ILE 17 2HG2 ILE 17 -0.491 -2.797 -0.365 129 HG23 ILE 17 3HG2 ILE 17 -0.136 -2.461 1.332 130 HD11 ILE 17 3HD1 ILE 17 0.949 -4.366 1.973 131 HD12 ILE 17 1HD1 ILE 17 0.882 -6.126 1.934 132 HD13 ILE 17 2HD1 ILE 17 -0.159 -5.239 3.038 133 H ILE 18 H ILE 18 -4.675 -3.550 1.500 134 HA ILE 18 HA ILE 18 -5.024 -0.758 1.338 135 HB ILE 18 HB ILE 18 -7.174 -2.917 1.552 136 HG12 ILE 18 2HG1 ILE 18 -5.984 -1.633 -0.948 137 HG13 ILE 18 3HG1 ILE 18 -5.536 -3.221 -0.340 138 HG21 ILE 18 1HG2 ILE 18 -8.123 -0.690 2.014 139 HG22 ILE 18 2HG2 ILE 18 -8.684 -1.279 0.448 140 HG23 ILE 18 3HG2 ILE 18 -7.410 -0.061 0.528 141 HD11 ILE 18 3HD1 ILE 18 -7.087 -3.390 -2.160 142 HD12 ILE 18 1HD1 ILE 18 -8.270 -2.411 -1.293 143 HD13 ILE 18 2HD1 ILE 18 -7.810 -4.001 -0.676 144 H ARG 19 H ARG 19 -6.223 -3.139 3.727 145 HA ARG 19 HA ARG 19 -7.566 -1.320 5.403 146 HB2 ARG 19 2HB ARG 19 -7.935 -3.800 5.440 147 HB3 ARG 19 3HB ARG 19 -6.358 -4.014 6.202 148 HG2 ARG 19 2HG ARG 19 -7.126 -2.707 8.160 149 HG3 ARG 19 3HG ARG 19 -8.691 -2.460 7.388 150 HD2 ARG 19 2HD ARG 19 -9.020 -4.958 7.415 151 HD3 ARG 19 3HD ARG 19 -7.524 -5.091 8.353 152 HE ARG 19 HE ARG 19 -9.700 -3.372 9.350 153 HH11 ARG 19 1HH1 ARG 19 -7.811 -6.303 9.762 154 HH12 ARG 19 2HH1 ARG 19 -8.374 -6.577 11.381 155 HH21 ARG 19 1HH2 ARG 19 -10.448 -3.747 11.456 156 HH22 ARG 19 2HH2 ARG 19 -9.871 -5.127 12.342 157 H GLU 20 H GLU 20 -4.228 -2.507 5.389 158 HA GLU 20 HA GLU 20 -3.374 -1.611 7.908 159 HB2 GLU 20 2HB GLU 20 -2.125 -3.207 6.407 160 HB3 GLU 20 3HB GLU 20 -1.697 -1.853 5.369 161 HG2 GLU 20 2HG GLU 20 0.187 -2.400 6.784 162 HG3 GLU 20 3HG GLU 20 -0.454 -0.828 7.260 163 H ILE 21 H ILE 21 -3.359 -0.041 4.732 164 HA ILE 21 HA ILE 21 -2.202 2.429 5.630 165 HB ILE 21 HB ILE 21 -3.798 1.861 3.092 166 HG12 ILE 21 2HG1 ILE 21 -1.856 0.372 3.193 167 HG13 ILE 21 3HG1 ILE 21 -1.568 1.603 1.976 168 HG21 ILE 21 1HG2 ILE 21 -2.642 3.843 2.160 169 HG22 ILE 21 2HG2 ILE 21 -1.920 4.163 3.735 170 HG23 ILE 21 3HG2 ILE 21 -3.671 4.263 3.533 171 HD11 ILE 21 3HD1 ILE 21 0.435 1.124 3.241 172 HD12 ILE 21 1HD1 ILE 21 -0.376 1.525 4.753 173 HD13 ILE 21 2HD1 ILE 21 -0.080 2.781 3.547 174 H ARG 22 H ARG 22 -5.527 1.248 5.170 175 HA ARG 22 HA ARG 22 -6.801 3.805 5.356 176 HB2 ARG 22 2HB ARG 22 -7.885 0.958 5.468 177 HB3 ARG 22 3HB ARG 22 -8.929 2.377 5.541 178 HG2 ARG 22 2HG ARG 22 -7.086 1.664 3.235 179 HG3 ARG 22 3HG ARG 22 -8.830 1.423 3.278 180 HD2 ARG 22 2HD ARG 22 -7.387 4.093 3.351 181 HD3 ARG 22 3HD ARG 22 -8.287 3.411 1.990 182 HE ARG 22 HE ARG 22 -10.080 3.451 4.057 183 HH11 ARG 22 1HH1 ARG 22 -8.215 5.903 2.379 184 HH12 ARG 22 2HH1 ARG 22 -9.374 7.155 2.692 185 HH21 ARG 22 1HH2 ARG 22 -11.536 5.113 4.542 186 HH22 ARG 22 2HH2 ARG 22 -11.250 6.706 3.918 187 H GLU 23 H GLU 23 -5.947 1.397 7.782 188 HA GLU 23 HA GLU 23 -7.724 2.351 9.832 189 HB2 GLU 23 2HB GLU 23 -5.192 0.673 10.100 190 HB3 GLU 23 3HB GLU 23 -6.325 0.995 11.405 191 HG2 GLU 23 2HG GLU 23 -6.802 -0.648 8.922 192 HG3 GLU 23 3HG GLU 23 -6.728 -1.219 10.581 193 H GLN 24 H GLN 24 -4.422 3.073 8.834 194 HA GLN 24 HA GLN 24 -3.852 4.737 11.163 195 HB2 GLN 24 2HB GLN 24 -2.138 4.348 8.668 196 HB3 GLN 24 3HB GLN 24 -1.613 4.928 10.247 197 HG2 GLN 24 2HG GLN 24 -2.026 2.697 11.215 198 HG3 GLN 24 3HG GLN 24 -2.587 2.120 9.642 199 HE21 GLN 24 1HE2 GLN 24 -0.990 0.559 9.380 200 HE22 GLN 24 2HE2 GLN 24 0.680 0.949 9.163 201 H TRP 25 H TRP 25 -4.050 5.116 7.643 202 HA TRP 25 HA TRP 25 -4.588 8.019 7.893 203 HB2 TRP 25 2HB TRP 25 -3.572 6.467 5.460 204 HB3 TRP 25 3HB TRP 25 -3.747 8.215 5.591 205 HD1 TRP 25 HD1 TRP 25 -1.920 9.488 7.246 206 HE1 TRP 25 HE1 TRP 25 0.462 8.808 7.919 207 HE3 TRP 25 HE3 TRP 25 -2.049 4.548 5.910 208 HZ2 TRP 25 HZ2 TRP 25 2.074 6.508 7.892 209 HZ3 TRP 25 HZ3 TRP 25 -0.042 3.170 6.263 210 HH2 TRP 25 HH2 TRP 25 1.984 4.136 7.235 211 HA PRO 26 HA PRO 26 -8.743 6.395 6.533 212 HB2 PRO 26 2HB PRO 26 -9.755 8.929 7.733 213 HB3 PRO 26 3HB PRO 26 -10.169 7.251 8.136 214 HG2 PRO 26 2HG PRO 26 -8.715 8.837 9.788 215 HG3 PRO 26 3HG PRO 26 -8.510 7.070 9.732 216 HD2 PRO 26 2HD PRO 26 -6.796 9.220 8.496 217 HD3 PRO 26 3HD PRO 26 -6.321 7.702 9.289 218 H LYS 27 H LYS 27 -7.095 9.475 6.003 219 HA LYS 27 HA LYS 27 -8.850 10.233 3.800 220 HB2 LYS 27 2HB LYS 27 -6.390 11.621 4.946 221 HB3 LYS 27 3HB LYS 27 -7.576 12.331 3.858 222 HG2 LYS 27 2HG LYS 27 -8.136 11.403 6.694 223 HG3 LYS 27 3HG LYS 27 -7.863 13.073 6.216 224 HD2 LYS 27 2HD LYS 27 -10.156 11.333 5.225 225 HD3 LYS 27 3HD LYS 27 -10.282 12.510 6.531 226 HE2 LYS 27 2HE LYS 27 -9.554 13.180 3.656 227 HE3 LYS 27 3HE LYS 27 -11.149 13.382 4.373 228 HZ1 LYS 27 3HZ LYS 27 -9.919 15.449 4.346 229 HZ2 LYS 27 1HZ LYS 27 -8.681 14.766 5.270 230 HZ3 LYS 27 2HZ LYS 27 -10.219 14.959 5.931 231 H ALA 28 H ALA 28 -7.094 7.805 3.342 232 HA ALA 28 HA ALA 28 -5.034 8.885 1.502 233 HB1 ALA 28 3HB ALA 28 -4.846 6.346 3.186 234 HB2 ALA 28 1HB ALA 28 -3.904 7.822 3.419 235 HB3 ALA 28 2HB ALA 28 -3.679 6.855 1.962 236 H THR 29 H THR 29 -5.904 8.542 -0.541 237 HA THR 29 HA THR 29 -8.006 6.673 -0.990 238 HB THR 29 HB THR 29 -6.345 8.200 -3.047 239 HG1 THR 29 HG1 THR 29 -8.905 8.988 -2.160 240 HG21 THR 29 3HG2 THR 29 -9.134 6.988 -3.294 241 HG22 THR 29 1HG2 THR 29 -7.671 6.356 -4.062 242 HG23 THR 29 2HG2 THR 29 -8.301 7.935 -4.527 243 H VAL 30 H VAL 30 -7.616 4.541 -0.998 244 HA VAL 30 HA VAL 30 -5.334 3.440 -2.543 245 HB VAL 30 HB VAL 30 -7.109 1.857 -0.614 246 HG11 VAL 30 1HG1 VAL 30 -5.859 0.515 -2.252 247 HG12 VAL 30 2HG1 VAL 30 -5.240 0.247 -0.622 248 HG13 VAL 30 3HG1 VAL 30 -4.346 1.275 -1.745 249 HG21 VAL 30 3HG2 VAL 30 -5.378 2.072 1.119 250 HG22 VAL 30 1HG2 VAL 30 -6.032 3.655 0.687 251 HG23 VAL 30 2HG2 VAL 30 -4.451 3.158 0.082 252 H THR 31 H THR 31 -5.790 2.198 -4.304 253 HA THR 31 HA THR 31 -8.589 1.494 -4.996 254 HB THR 31 HB THR 31 -6.361 2.272 -6.969 255 HG1 THR 31 HG1 THR 31 -8.340 3.774 -5.699 256 HG21 THR 31 3HG2 THR 31 -8.140 2.262 -8.663 257 HG22 THR 31 1HG2 THR 31 -9.326 1.766 -7.454 258 HG23 THR 31 2HG2 THR 31 -8.016 0.671 -7.912 259 H ARG 32 H ARG 32 -8.843 -0.659 -5.574 260 HA ARG 32 HA ARG 32 -6.432 -2.373 -5.526 261 HB2 ARG 32 2HB ARG 32 -8.027 -2.807 -3.692 262 HB3 ARG 32 3HB ARG 32 -9.328 -3.059 -4.852 263 HG2 ARG 32 2HG ARG 32 -8.192 -5.044 -5.744 264 HG3 ARG 32 3HG ARG 32 -6.822 -4.771 -4.660 265 HD2 ARG 32 2HD ARG 32 -8.392 -6.541 -3.878 266 HD3 ARG 32 3HD ARG 32 -8.188 -5.229 -2.722 267 HE ARG 32 HE ARG 32 -10.355 -4.357 -3.494 268 HH11 ARG 32 1HH1 ARG 32 -9.728 -7.787 -4.041 269 HH12 ARG 32 2HH1 ARG 32 -11.412 -8.197 -4.095 270 HH21 ARG 32 1HH2 ARG 32 -12.509 -4.891 -3.569 271 HH22 ARG 32 2HH2 ARG 32 -12.993 -6.536 -3.825 272 H THR 33 H THR 33 -6.015 -3.623 -7.234 273 HA THR 33 HA THR 33 -7.976 -4.272 -9.253 274 HB THR 33 HB THR 33 -7.147 -2.268 -10.305 275 HG1 THR 33 HG1 THR 33 -5.952 -3.164 -12.121 276 HG21 THR 33 3HG2 THR 33 -4.286 -3.124 -9.768 277 HG22 THR 33 1HG2 THR 33 -5.142 -1.820 -8.947 278 HG23 THR 33 2HG2 THR 33 -4.783 -1.688 -10.667 279 H ASN 34 H ASN 34 -7.756 -6.475 -8.962 280 HA ASN 34 HA ASN 34 -5.901 -7.708 -7.386 281 HB2 ASN 34 2HB ASN 34 -8.014 -8.774 -8.227 282 HB3 ASN 34 3HB ASN 34 -7.193 -9.122 -9.744 283 HD21 ASN 34 1HD2 ASN 34 -7.369 -11.388 -9.476 284 HD22 ASN 34 2HD2 ASN 34 -6.488 -12.258 -8.271 285 H GLY 35 H GLY 35 -3.800 -8.243 -7.476 286 HA2 GLY 35 2HA GLY 35 -1.793 -8.891 -8.714 287 HA3 GLY 35 3HA GLY 35 -2.342 -7.896 -10.055 288 H ASP 36 H ASP 36 -3.092 -5.556 -8.649 289 HA ASP 36 HA ASP 36 -0.648 -4.680 -7.252 290 HB2 ASP 36 2HB ASP 36 -2.077 -3.264 -9.540 291 HB3 ASP 36 3HB ASP 36 -1.000 -2.400 -8.450 292 H ILE 37 H ILE 37 -0.873 -2.809 -6.001 293 HA ILE 37 HA ILE 37 -3.580 -1.960 -5.139 294 HB ILE 37 HB ILE 37 -1.147 -2.476 -3.343 295 HG12 ILE 37 2HG1 ILE 37 -2.497 -4.489 -3.778 296 HG13 ILE 37 3HG1 ILE 37 -2.699 -3.991 -2.101 297 HG21 ILE 37 1HG2 ILE 37 -3.740 -1.082 -2.537 298 HG22 ILE 37 2HG2 ILE 37 -2.136 -0.347 -2.618 299 HG23 ILE 37 3HG2 ILE 37 -2.467 -1.604 -1.430 300 HD11 ILE 37 3HD1 ILE 37 -4.807 -4.676 -2.980 301 HD12 ILE 37 1HD1 ILE 37 -4.652 -3.598 -4.363 302 HD13 ILE 37 2HD1 ILE 37 -4.865 -2.933 -2.741 303 H LYS 38 H LYS 38 -3.761 -0.003 -6.015 304 HA LYS 38 HA LYS 38 -1.426 1.762 -6.330 305 HB2 LYS 38 2HB LYS 38 -4.274 2.089 -7.407 306 HB3 LYS 38 3HB LYS 38 -2.859 3.040 -7.864 307 HG2 LYS 38 2HG LYS 38 -1.798 0.996 -8.794 308 HG3 LYS 38 3HG LYS 38 -3.245 0.074 -8.385 309 HD2 LYS 38 2HD LYS 38 -3.163 2.432 -10.308 310 HD3 LYS 38 3HD LYS 38 -3.174 0.734 -10.781 311 HE2 LYS 38 2HE LYS 38 -5.400 0.476 -9.662 312 HE3 LYS 38 3HE LYS 38 -5.388 2.208 -9.311 313 HZ1 LYS 38 3HZ LYS 38 -5.348 2.672 -11.661 314 HZ2 LYS 38 1HZ LYS 38 -6.654 1.659 -11.311 315 HZ3 LYS 38 2HZ LYS 38 -5.263 1.025 -12.034 316 H LEU 39 H LEU 39 -1.042 2.853 -4.555 317 HA LEU 39 HA LEU 39 -3.182 4.130 -2.958 318 HB2 LEU 39 2HB LEU 39 -1.823 2.637 -1.631 319 HB3 LEU 39 3HB LEU 39 -0.330 3.250 -2.324 320 HG LEU 39 HG LEU 39 -0.619 5.391 -1.085 321 HD11 LEU 39 1HD1 LEU 39 -2.339 5.663 0.631 322 HD12 LEU 39 2HD1 LEU 39 -3.085 4.137 0.150 323 HD13 LEU 39 3HD1 LEU 39 -3.064 5.499 -0.968 324 HD21 LEU 39 3HD2 LEU 39 -0.179 4.520 1.160 325 HD22 LEU 39 1HD2 LEU 39 0.659 3.573 -0.068 326 HD23 LEU 39 2HD2 LEU 39 -0.807 2.941 0.686 327 H ASP 40 H ASP 40 -3.069 6.321 -2.554 328 HA ASP 40 HA ASP 40 -1.016 7.923 -3.952 329 HB2 ASP 40 2HB ASP 40 -3.235 8.457 -4.838 330 HB3 ASP 40 3HB ASP 40 -3.879 8.667 -3.213 331 H ALA 41 H ALA 41 0.471 8.378 -2.508 332 HA ALA 41 HA ALA 41 -0.071 8.773 0.324 333 HB1 ALA 41 3HB ALA 41 2.373 9.046 0.511 334 HB2 ALA 41 1HB ALA 41 2.522 8.990 -1.250 335 HB3 ALA 41 2HB ALA 41 1.959 7.572 -0.364 336 H GLN 42 H GLN 42 0.066 10.713 1.382 337 HA GLN 42 HA GLN 42 -0.861 12.974 -0.058 338 HB2 GLN 42 2HB GLN 42 0.165 13.061 2.804 339 HB3 GLN 42 3HB GLN 42 -1.088 14.052 2.070 340 HG2 GLN 42 2HG GLN 42 -1.314 11.098 2.723 341 HG3 GLN 42 3HG GLN 42 -2.017 12.419 3.644 342 HE21 GLN 42 1HE2 GLN 42 -4.114 11.719 3.459 343 HE22 GLN 42 2HE2 GLN 42 -4.989 11.678 1.969 344 H THR 43 H THR 43 2.059 12.566 1.933 345 HA THR 43 HA THR 43 3.583 14.309 0.082 346 HB THR 43 HB THR 43 5.047 14.908 1.986 347 HG1 THR 43 HG1 THR 43 3.378 14.004 3.982 348 HG21 THR 43 3HG2 THR 43 3.112 16.390 1.536 349 HG22 THR 43 1HG2 THR 43 3.497 16.343 3.257 350 HG23 THR 43 2HG2 THR 43 2.118 15.433 2.641 351 H GLU 44 H GLU 44 5.976 13.734 0.146 352 HA GLU 44 HA GLU 44 6.429 10.960 -0.349 353 HB2 GLU 44 2HB GLU 44 8.722 11.545 -0.837 354 HB3 GLU 44 3HB GLU 44 7.712 12.825 -1.477 355 HG2 GLU 44 2HG GLU 44 9.321 12.967 1.088 356 HG3 GLU 44 3HG GLU 44 9.783 13.677 -0.452 357 H LYS 45 H LYS 45 6.870 13.050 2.401 358 HA LYS 45 HA LYS 45 8.494 11.324 3.994 359 HB2 LYS 45 2HB LYS 45 8.178 13.914 4.125 360 HB3 LYS 45 3HB LYS 45 6.707 13.570 5.020 361 HG2 LYS 45 2HG LYS 45 8.518 14.079 6.559 362 HG3 LYS 45 3HG LYS 45 8.044 12.390 6.751 363 HD2 LYS 45 2HD LYS 45 10.519 12.742 6.809 364 HD3 LYS 45 3HD LYS 45 10.008 11.641 5.529 365 HE2 LYS 45 2HE LYS 45 11.770 13.220 4.774 366 HE3 LYS 45 3HE LYS 45 10.277 13.417 3.855 367 HZ1 LYS 45 3HZ LYS 45 9.750 15.326 5.282 368 HZ2 LYS 45 1HZ LYS 45 11.195 15.546 4.436 369 HZ3 LYS 45 2HZ LYS 45 11.229 15.144 6.074 370 H GLU 46 H GLU 46 5.102 11.587 3.308 371 HA GLU 46 HA GLU 46 4.221 10.017 5.599 372 HB2 GLU 46 2HB GLU 46 2.871 11.919 4.382 373 HB3 GLU 46 3HB GLU 46 2.529 10.707 3.156 374 HG2 GLU 46 2HG GLU 46 0.680 10.839 4.716 375 HG3 GLU 46 3HG GLU 46 1.480 9.274 4.905 376 H ALA 47 H ALA 47 4.782 9.745 2.110 377 HA ALA 47 HA ALA 47 3.889 7.223 1.506 378 HB1 ALA 47 3HB ALA 47 6.393 8.534 0.402 379 HB2 ALA 47 1HB ALA 47 4.746 8.808 -0.167 380 HB3 ALA 47 2HB ALA 47 5.483 7.215 -0.345 381 H GLU 48 H GLU 48 6.916 8.125 3.086 382 HA GLU 48 HA GLU 48 8.261 5.647 2.826 383 HB2 GLU 48 2HB GLU 48 8.671 7.870 4.884 384 HB3 GLU 48 3HB GLU 48 9.794 6.541 4.584 385 HG2 GLU 48 2HG GLU 48 10.058 7.311 2.230 386 HG3 GLU 48 3HG GLU 48 8.987 8.667 2.578 387 H LYS 49 H LYS 49 5.946 6.813 5.219 388 HA LYS 49 HA LYS 49 6.324 4.615 7.068 389 HB2 LYS 49 2HB LYS 49 3.870 6.421 6.919 390 HB3 LYS 49 3HB LYS 49 4.469 5.514 8.305 391 HG2 LYS 49 2HG LYS 49 6.476 7.022 8.356 392 HG3 LYS 49 3HG LYS 49 5.730 7.974 7.064 393 HD2 LYS 49 2HD LYS 49 3.692 8.232 8.626 394 HD3 LYS 49 3HD LYS 49 4.715 7.561 9.902 395 HE2 LYS 49 2HE LYS 49 4.749 9.970 10.068 396 HE3 LYS 49 3HE LYS 49 6.337 9.445 9.503 397 HZ1 LYS 49 3HZ LYS 49 4.155 10.449 7.744 398 HZ2 LYS 49 1HZ LYS 49 5.736 10.065 7.272 399 HZ3 LYS 49 2HZ LYS 49 5.454 11.375 8.302 400 H MET 50 H MET 50 4.019 5.581 4.649 401 HA MET 50 HA MET 50 2.118 3.536 4.750 402 HB2 MET 50 2HB MET 50 3.006 5.204 2.368 403 HB3 MET 50 3HB MET 50 1.621 4.123 2.325 404 HG2 MET 50 2HG MET 50 0.568 5.435 4.140 405 HG3 MET 50 3HG MET 50 1.937 6.552 4.097 406 HE1 MET 50 3HE MET 50 -1.296 7.261 3.636 407 HE2 MET 50 1HE MET 50 -1.101 8.509 2.405 408 HE3 MET 50 2HE MET 50 -0.019 8.468 3.795 409 H GLU 51 H GLU 51 4.730 3.678 2.271 410 HA GLU 51 HA GLU 51 4.523 1.041 1.371 411 HB2 GLU 51 2HB GLU 51 6.668 1.387 0.286 412 HB3 GLU 51 3HB GLU 51 5.723 2.865 0.177 413 HG2 GLU 51 2HG GLU 51 7.023 3.823 2.045 414 HG3 GLU 51 3HG GLU 51 7.994 2.363 2.128 415 H LYS 52 H LYS 52 6.037 2.253 4.243 416 HA LYS 52 HA LYS 52 7.713 -0.038 4.804 417 HB2 LYS 52 2HB LYS 52 8.207 2.153 5.837 418 HB3 LYS 52 3HB LYS 52 6.669 2.117 6.687 419 HG2 LYS 52 2HG LYS 52 8.494 1.541 8.214 420 HG3 LYS 52 3HG LYS 52 7.422 0.155 7.999 421 HD2 LYS 52 2HD LYS 52 9.753 -0.576 7.988 422 HD3 LYS 52 3HD LYS 52 9.048 -0.834 6.390 423 HE2 LYS 52 2HE LYS 52 11.316 0.080 6.203 424 HE3 LYS 52 3HE LYS 52 10.142 1.243 5.589 425 HZ1 LYS 52 3HZ LYS 52 11.387 1.308 8.285 426 HZ2 LYS 52 1HZ LYS 52 10.302 2.447 7.673 427 HZ3 LYS 52 2HZ LYS 52 11.834 2.281 6.981 428 H ALA 53 H ALA 53 4.464 1.032 5.709 429 HA ALA 53 HA ALA 53 3.822 -1.016 7.556 430 HB1 ALA 53 3HB ALA 53 2.604 1.129 7.447 431 HB2 ALA 53 1HB ALA 53 1.500 -0.237 7.295 432 HB3 ALA 53 2HB ALA 53 1.955 0.692 5.865 433 H VAL 54 H VAL 54 3.399 -0.711 4.029 434 HA VAL 54 HA VAL 54 2.164 -3.118 3.410 435 HB VAL 54 HB VAL 54 4.374 -1.661 1.880 436 HG11 VAL 54 1HG1 VAL 54 2.411 -3.733 0.832 437 HG12 VAL 54 2HG1 VAL 54 4.147 -3.965 1.056 438 HG13 VAL 54 3HG1 VAL 54 3.559 -2.811 -0.139 439 HG21 VAL 54 3HG2 VAL 54 2.536 -0.617 0.595 440 HG22 VAL 54 1HG2 VAL 54 2.431 -0.221 2.312 441 HG23 VAL 54 2HG2 VAL 54 1.351 -1.433 1.619 442 H LYS 55 H LYS 55 5.699 -2.480 3.572 443 HA LYS 55 HA LYS 55 6.624 -5.075 3.121 444 HB2 LYS 55 2HB LYS 55 7.966 -2.867 4.735 445 HB3 LYS 55 3HB LYS 55 8.781 -4.320 4.159 446 HG2 LYS 55 2HG LYS 55 8.352 -3.645 1.822 447 HG3 LYS 55 3HG LYS 55 7.528 -2.189 2.394 448 HD2 LYS 55 2HD LYS 55 9.661 -1.460 3.505 449 HD3 LYS 55 3HD LYS 55 10.466 -2.881 2.831 450 HE2 LYS 55 2HE LYS 55 9.959 -2.049 0.540 451 HE3 LYS 55 3HE LYS 55 9.214 -0.613 1.247 452 HZ1 LYS 55 3HZ LYS 55 12.064 -1.410 1.576 453 HZ2 LYS 55 1HZ LYS 55 11.349 -0.015 2.210 454 HZ3 LYS 55 2HZ LYS 55 11.493 -0.210 0.538 455 H LYS 56 H LYS 56 5.428 -3.638 6.081 456 HA LYS 56 HA LYS 56 6.326 -5.546 7.973 457 HB2 LYS 56 2HB LYS 56 3.828 -3.787 7.977 458 HB3 LYS 56 3HB LYS 56 4.374 -4.715 9.369 459 HG2 LYS 56 2HG LYS 56 5.948 -2.497 8.032 460 HG3 LYS 56 3HG LYS 56 4.992 -2.317 9.499 461 HD2 LYS 56 2HD LYS 56 7.409 -4.144 9.196 462 HD3 LYS 56 3HD LYS 56 7.411 -2.561 9.974 463 HE2 LYS 56 2HE LYS 56 5.792 -3.392 11.661 464 HE3 LYS 56 3HE LYS 56 5.821 -4.982 10.894 465 HZ1 LYS 56 3HZ LYS 56 8.120 -5.214 11.452 466 HZ2 LYS 56 1HZ LYS 56 7.271 -4.813 12.858 467 HZ3 LYS 56 2HZ LYS 56 8.201 -3.643 12.064 468 H VAL 57 H VAL 57 3.513 -5.438 5.856 469 HA VAL 57 HA VAL 57 2.245 -7.816 6.950 470 HB VAL 57 HB VAL 57 1.538 -6.115 4.503 471 HG11 VAL 57 1HG1 VAL 57 -0.155 -8.206 5.927 472 HG12 VAL 57 2HG1 VAL 57 0.581 -8.380 4.331 473 HG13 VAL 57 3HG1 VAL 57 -0.671 -7.172 4.593 474 HG21 VAL 57 3HG2 VAL 57 -0.199 -5.089 5.916 475 HG22 VAL 57 1HG2 VAL 57 1.413 -4.806 6.580 476 HG23 VAL 57 2HG2 VAL 57 0.359 -6.023 7.307 477 H LYS 58 H LYS 58 4.462 -7.022 4.384 478 HA LYS 58 HA LYS 58 4.530 -9.741 3.401 479 HB2 LYS 58 2HB LYS 58 4.136 -9.131 1.008 480 HB3 LYS 58 3HB LYS 58 2.713 -9.002 2.023 481 HG2 LYS 58 2HG LYS 58 2.922 -6.557 2.050 482 HG3 LYS 58 3HG LYS 58 4.391 -6.653 1.083 483 HD2 LYS 58 2HD LYS 58 1.702 -7.704 0.111 484 HD3 LYS 58 3HD LYS 58 2.240 -6.051 -0.168 485 HE2 LYS 58 2HE LYS 58 2.671 -7.340 -2.153 486 HE3 LYS 58 3HE LYS 58 4.219 -6.958 -1.410 487 HZ1 LYS 58 3HZ LYS 58 2.794 -9.562 -1.276 488 HZ2 LYS 58 1HZ LYS 58 4.259 -9.227 -0.503 489 HZ3 LYS 58 2HZ LYS 58 4.169 -9.221 -2.185 490 HA PRO 59 HA PRO 59 8.790 -8.054 3.634 491 HB2 PRO 59 2HB PRO 59 9.464 -10.957 3.163 492 HB3 PRO 59 3HB PRO 59 10.006 -9.862 4.456 493 HG2 PRO 59 2HG PRO 59 8.235 -11.768 4.979 494 HG3 PRO 59 3HG PRO 59 8.065 -10.159 5.720 495 HD2 PRO 59 2HD PRO 59 6.580 -11.303 3.342 496 HD3 PRO 59 3HD PRO 59 5.955 -10.377 4.730 497 H ASN 60 H ASN 60 7.425 -10.084 1.105 498 HA ASN 60 HA ASN 60 9.669 -9.733 -0.730 499 HB2 ASN 60 2HB ASN 60 7.044 -11.238 -1.016 500 HB3 ASN 60 3HB ASN 60 8.312 -11.196 -2.242 501 HD21 ASN 60 1HD2 ASN 60 9.094 -13.223 -2.229 502 HD22 ASN 60 2HD2 ASN 60 9.692 -14.052 -0.839 503 H ALA 61 H ALA 61 7.609 -7.535 0.159 504 HA ALA 61 HA ALA 61 5.983 -6.745 -1.960 505 HB1 ALA 61 3HB ALA 61 7.304 -4.970 0.130 506 HB2 ALA 61 1HB ALA 61 5.790 -5.853 0.336 507 HB3 ALA 61 2HB ALA 61 5.892 -4.550 -0.846 508 H THR 62 H THR 62 6.635 -6.290 -4.001 509 HA THR 62 HA THR 62 8.982 -4.576 -4.496 510 HB THR 62 HB THR 62 7.135 -5.982 -6.494 511 HG1 THR 62 HG1 THR 62 8.297 -7.565 -5.522 512 HG21 THR 62 3HG2 THR 62 8.887 -5.479 -8.164 513 HG22 THR 62 1HG2 THR 62 9.818 -4.602 -6.950 514 HG23 THR 62 2HG2 THR 62 8.249 -3.985 -7.477 515 H ILE 63 H ILE 63 8.438 -2.522 -4.025 516 HA ILE 63 HA ILE 63 5.728 -1.497 -4.573 517 HB ILE 63 HB ILE 63 7.955 -0.348 -2.812 518 HG12 ILE 63 2HG1 ILE 63 5.363 -1.713 -1.954 519 HG13 ILE 63 3HG1 ILE 63 6.899 -2.561 -2.064 520 HG21 ILE 63 1HG2 ILE 63 6.233 1.201 -1.938 521 HG22 ILE 63 2HG2 ILE 63 5.054 0.546 -3.077 522 HG23 ILE 63 3HG2 ILE 63 6.458 1.428 -3.676 523 HD11 ILE 63 3HD1 ILE 63 6.449 -2.004 0.195 524 HD12 ILE 63 1HD1 ILE 63 6.200 -0.305 -0.202 525 HD13 ILE 63 2HD1 ILE 63 7.804 -1.024 -0.358 526 H ARG 64 H ARG 64 5.469 -0.327 -6.307 527 HA ARG 64 HA ARG 64 7.753 0.581 -7.904 528 HB2 ARG 64 2HB ARG 64 4.797 0.304 -8.670 529 HB3 ARG 64 3HB ARG 64 6.114 0.720 -9.769 530 HG2 ARG 64 2HG ARG 64 7.183 -1.517 -9.151 531 HG3 ARG 64 3HG ARG 64 5.676 -1.918 -8.332 532 HD2 ARG 64 2HD ARG 64 5.856 -1.183 -11.264 533 HD3 ARG 64 3HD ARG 64 5.924 -2.842 -10.674 534 HE ARG 64 HE ARG 64 3.616 -2.137 -9.629 535 HH11 ARG 64 1HH1 ARG 64 4.831 -1.319 -12.864 536 HH12 ARG 64 2HH1 ARG 64 3.236 -1.263 -13.551 537 HH21 ARG 64 1HH2 ARG 64 1.573 -2.166 -10.622 538 HH22 ARG 64 2HH2 ARG 64 1.405 -1.740 -12.299 539 H LYS 65 H LYS 65 8.367 2.590 -7.627 540 HA LYS 65 HA LYS 65 6.649 4.492 -6.175 541 HB2 LYS 65 2HB LYS 65 8.752 3.653 -5.087 542 HB3 LYS 65 3HB LYS 65 9.691 4.313 -6.420 543 HG2 LYS 65 2HG LYS 65 9.837 5.758 -4.477 544 HG3 LYS 65 3HG LYS 65 8.992 6.601 -5.778 545 HD2 LYS 65 2HD LYS 65 6.897 6.437 -4.688 546 HD3 LYS 65 3HD LYS 65 7.436 5.127 -3.632 547 HE2 LYS 65 2HE LYS 65 8.407 8.003 -3.471 548 HE3 LYS 65 3HE LYS 65 7.180 7.274 -2.430 549 HZ1 LYS 65 3HZ LYS 65 8.824 5.708 -1.628 550 HZ2 LYS 65 1HZ LYS 65 9.356 7.288 -1.382 551 HZ3 LYS 65 2HZ LYS 65 9.998 6.368 -2.642 552 H THR 66 H THR 66 5.684 5.781 -7.676 553 HA THR 66 HA THR 66 7.466 7.425 -9.390 554 HB THR 66 HB THR 66 5.599 7.560 -11.086 555 HG1 THR 66 HG1 THR 66 4.458 5.574 -9.418 556 HG21 THR 66 3HG2 THR 66 6.651 4.744 -10.647 557 HG22 THR 66 1HG2 THR 66 7.491 6.032 -11.516 558 HG23 THR 66 2HG2 THR 66 5.985 5.371 -12.155 559 H GLY 67 H GLY 67 5.721 9.305 -10.276 560 HA2 GLY 67 2HA GLY 67 4.369 10.439 -7.884 561 HA3 GLY 67 3HA GLY 67 5.512 11.392 -8.828 562 H GLY 68 H GLY 68 5.024 11.470 -11.236 563 HA2 GLY 68 2HA GLY 68 3.636 11.826 -13.032 564 HA3 GLY 68 3HA GLY 68 2.340 11.023 -12.165 565 H SER 69 H SER 69 1.148 12.277 -10.569 566 HA SER 69 HA SER 69 0.279 14.772 -11.584 567 HB2 SER 69 2HB SER 69 -1.225 13.197 -10.397 568 HB3 SER 69 3HB SER 69 -0.319 13.438 -8.904 569 HG SER 69 HG SER 69 -2.080 14.775 -8.826 570 H LEU 70 H LEU 70 1.399 16.626 -11.406 571 HA LEU 70 HA LEU 70 3.088 17.268 -9.110 572 HB2 LEU 70 2HB LEU 70 2.344 18.955 -11.552 573 HB3 LEU 70 3HB LEU 70 3.537 19.397 -10.342 574 HG LEU 70 HG LEU 70 3.774 17.036 -12.257 575 HD11 LEU 70 1HD1 LEU 70 4.011 19.180 -13.421 576 HD12 LEU 70 2HD1 LEU 70 5.546 18.321 -13.350 577 HD13 LEU 70 3HD1 LEU 70 5.254 19.689 -12.270 578 HD21 LEU 70 3HD2 LEU 70 6.089 16.828 -11.424 579 HD22 LEU 70 1HD2 LEU 70 4.907 16.548 -10.146 580 HD23 LEU 70 2HD2 LEU 70 5.772 18.084 -10.224 581 H GLU 71 H GLU 71 1.181 16.960 -7.712 582 HA GLU 71 HA GLU 71 -1.100 18.661 -7.784 583 HB2 GLU 71 2HB GLU 71 -1.341 16.486 -6.828 584 HB3 GLU 71 3HB GLU 71 0.032 16.726 -5.763 585 HG2 GLU 71 2HG GLU 71 -1.351 18.446 -4.515 586 HG3 GLU 71 3HG GLU 71 -2.722 17.948 -5.504 587 H HIS 72 H HIS 72 1.428 18.406 -5.262 588 HA HIS 72 HA HIS 72 0.741 21.112 -4.328 589 HB2 HIS 72 2HB HIS 72 0.644 19.280 -2.666 590 HB3 HIS 72 3HB HIS 72 2.332 18.882 -2.974 591 HD1 HIS 72 HD1 HIS 72 4.118 20.396 -1.927 592 HD2 HIS 72 HD2 HIS 72 0.238 21.585 -1.048 593 HE1 HIS 72 HE1 HIS 72 4.342 22.134 -0.133 594 HE2 HIS 72 HE2 HIS 72 1.988 22.875 0.342 595 H HIS 73 H HIS 73 1.826 22.073 -6.136 596 HA HIS 73 HA HIS 73 4.707 22.475 -5.661 597 HB2 HIS 73 2HB HIS 73 3.415 21.835 -8.344 598 HB3 HIS 73 3HB HIS 73 4.961 22.660 -8.244 599 HD1 HIS 73 HD1 HIS 73 6.981 21.225 -8.086 600 HD2 HIS 73 HD2 HIS 73 3.517 19.123 -7.187 601 HE1 HIS 73 HE1 HIS 73 7.691 18.838 -7.804 602 HE2 HIS 73 HE2 HIS 73 5.612 17.640 -7.087 603 H HIS 74 H HIS 74 2.561 23.799 -8.206 604 HA HIS 74 HA HIS 74 1.917 26.238 -6.966 605 HB2 HIS 74 2HB HIS 74 3.443 27.817 -8.164 606 HB3 HIS 74 3HB HIS 74 4.323 26.775 -7.057 607 HD1 HIS 74 HD1 HIS 74 4.937 28.243 -10.108 608 HD2 HIS 74 HD2 HIS 74 5.188 24.297 -8.858 609 HE1 HIS 74 HE1 HIS 74 6.520 27.129 -11.696 610 HE2 HIS 74 HE2 HIS 74 6.847 24.846 -10.726 611 H HIS 75 H HIS 75 0.398 27.251 -8.128 612 HA HIS 75 HA HIS 75 -0.532 26.335 -10.687 613 HB2 HIS 75 2HB HIS 75 -2.072 27.199 -8.946 614 HB3 HIS 75 3HB HIS 75 -1.277 28.764 -8.992 615 HD1 HIS 75 HD1 HIS 75 -3.881 26.734 -10.695 616 HD2 HIS 75 HD2 HIS 75 -1.966 30.376 -11.243 617 HE1 HIS 75 HE1 HIS 75 -5.265 27.977 -12.386 618 HE2 HIS 75 HE2 HIS 75 -4.149 30.223 -12.590 619 H HIS 76 H HIS 76 0.605 26.796 -12.497 620 HA HIS 76 HA HIS 76 1.941 29.430 -12.805 621 HB2 HIS 76 2HB HIS 76 3.787 28.326 -14.003 622 HB3 HIS 76 3HB HIS 76 3.620 27.656 -12.383 623 HD1 HIS 76 HD1 HIS 76 3.252 26.778 -16.004 624 HD2 HIS 76 HD2 HIS 76 2.862 24.929 -12.301 625 HE1 HIS 76 HE1 HIS 76 3.073 24.332 -16.493 626 HE2 HIS 76 HE2 HIS 76 2.743 23.242 -14.251 627 H HIS 77 H HIS 77 1.698 30.445 -14.703 628 HA HIS 77 HA HIS 77 -0.252 29.468 -16.630 629 HB2 HIS 77 2HB HIS 77 -0.371 31.820 -15.828 630 HB3 HIS 77 3HB HIS 77 1.237 32.137 -16.476 631 HD1 HIS 77 HD1 HIS 77 -2.342 31.757 -17.512 632 HD2 HIS 77 HD2 HIS 77 1.335 32.471 -19.310 633 HE1 HIS 77 HE1 HIS 77 -2.866 32.591 -19.816 634 HE2 HIS 77 HE2 HIS 77 -0.640 33.149 -20.819 Start of MODEL 5 1 H1 MET 1 1H MET 1 -1.215 13.614 -4.206 2 H2 MET 1 2H MET 1 -0.161 12.491 -3.524 3 H3 MET 1 3H MET 1 -1.066 12.072 -4.882 4 HA MET 1 HA MET 1 0.088 13.689 -6.203 5 HB2 MET 1 2HB MET 1 0.596 15.299 -4.393 6 HB3 MET 1 3HB MET 1 1.698 14.144 -3.655 7 HG2 MET 1 2HG MET 1 2.908 15.907 -4.864 8 HG3 MET 1 3HG MET 1 3.212 14.317 -5.567 9 HE1 MET 1 3HE MET 1 3.324 16.728 -8.688 10 HE2 MET 1 1HE MET 1 4.222 15.540 -7.743 11 HE3 MET 1 2HE MET 1 3.864 17.129 -7.058 12 H VAL 2 H VAL 2 1.727 11.767 -3.664 13 HA VAL 2 HA VAL 2 3.611 10.619 -5.554 14 HB VAL 2 HB VAL 2 3.223 9.996 -2.588 15 HG11 VAL 2 1HG1 VAL 2 4.420 8.184 -3.739 16 HG12 VAL 2 2HG1 VAL 2 5.535 9.073 -2.700 17 HG13 VAL 2 3HG1 VAL 2 5.550 9.344 -4.445 18 HG21 VAL 2 3HG2 VAL 2 5.155 11.926 -3.927 19 HG22 VAL 2 1HG2 VAL 2 5.158 11.506 -2.213 20 HG23 VAL 2 2HG2 VAL 2 3.783 12.366 -2.908 21 H ASP 3 H ASP 3 3.003 8.980 -6.804 22 HA ASP 3 HA ASP 3 0.729 7.264 -6.086 23 HB2 ASP 3 2HB ASP 3 0.613 8.428 -8.224 24 HB3 ASP 3 3HB ASP 3 2.187 7.802 -8.698 25 H LEU 4 H LEU 4 1.094 5.321 -5.307 26 HA LEU 4 HA LEU 4 3.711 3.954 -5.571 27 HB2 LEU 4 2HB LEU 4 1.642 3.776 -3.329 28 HB3 LEU 4 3HB LEU 4 3.184 2.934 -3.364 29 HG LEU 4 HG LEU 4 2.855 5.961 -3.184 30 HD11 LEU 4 1HD1 LEU 4 3.568 5.738 -0.844 31 HD12 LEU 4 2HD1 LEU 4 3.591 3.980 -1.001 32 HD13 LEU 4 3HD1 LEU 4 2.068 4.862 -1.138 33 HD21 LEU 4 3HD2 LEU 4 5.268 5.995 -2.691 34 HD22 LEU 4 1HD2 LEU 4 4.947 5.336 -4.294 35 HD23 LEU 4 2HD2 LEU 4 5.358 4.252 -2.961 36 H LYS 5 H LYS 5 3.545 2.167 -6.896 37 HA LYS 5 HA LYS 5 1.102 0.477 -6.773 38 HB2 LYS 5 2HB LYS 5 3.330 0.547 -8.871 39 HB3 LYS 5 3HB LYS 5 2.088 -0.693 -8.816 40 HG2 LYS 5 2HG LYS 5 1.494 0.886 -10.522 41 HG3 LYS 5 3HG LYS 5 0.352 1.067 -9.191 42 HD2 LYS 5 2HD LYS 5 1.049 3.254 -10.129 43 HD3 LYS 5 3HD LYS 5 1.506 3.092 -8.433 44 HE2 LYS 5 2HE LYS 5 3.828 2.432 -9.223 45 HE3 LYS 5 3HE LYS 5 3.318 2.852 -10.859 46 HZ1 LYS 5 3HZ LYS 5 2.912 5.096 -10.136 47 HZ2 LYS 5 1HZ LYS 5 4.499 4.651 -9.762 48 HZ3 LYS 5 2HZ LYS 5 3.330 4.708 -8.544 49 H ILE 6 H ILE 6 1.301 -1.150 -5.385 50 HA ILE 6 HA ILE 6 3.967 -2.276 -4.733 51 HB ILE 6 HB ILE 6 1.375 -2.511 -3.104 52 HG12 ILE 6 2HG1 ILE 6 2.786 -1.216 -1.318 53 HG13 ILE 6 3HG1 ILE 6 3.843 -0.771 -2.646 54 HG21 ILE 6 1HG2 ILE 6 2.762 -3.661 -1.416 55 HG22 ILE 6 2HG2 ILE 6 4.175 -3.522 -2.459 56 HG23 ILE 6 3HG2 ILE 6 2.807 -4.522 -2.952 57 HD11 ILE 6 3HD1 ILE 6 0.922 -0.064 -2.397 58 HD12 ILE 6 1HD1 ILE 6 1.986 0.397 -3.729 59 HD13 ILE 6 2HD1 ILE 6 2.294 1.006 -2.102 60 H ASP 7 H ASP 7 4.313 -4.204 -5.790 61 HA ASP 7 HA ASP 7 2.247 -5.732 -7.033 62 HB2 ASP 7 2HB ASP 7 4.648 -5.814 -7.761 63 HB3 ASP 7 3HB ASP 7 5.058 -6.646 -6.262 64 H VAL 8 H VAL 8 0.954 -7.331 -6.184 65 HA VAL 8 HA VAL 8 1.519 -8.394 -3.482 66 HB VAL 8 HB VAL 8 -0.956 -8.525 -3.046 67 HG11 VAL 8 1HG1 VAL 8 -1.280 -6.137 -2.490 68 HG12 VAL 8 2HG1 VAL 8 0.089 -5.707 -3.520 69 HG13 VAL 8 3HG1 VAL 8 0.344 -6.689 -2.076 70 HG21 VAL 8 3HG2 VAL 8 -1.789 -8.462 -5.366 71 HG22 VAL 8 1HG2 VAL 8 -1.236 -6.795 -5.537 72 HG23 VAL 8 2HG2 VAL 8 -2.535 -7.183 -4.407 73 H SER 9 H SER 9 1.282 -10.529 -3.215 74 HA SER 9 HA SER 9 1.418 -12.248 -5.489 75 HB2 SER 9 2HB SER 9 1.041 -13.259 -2.646 76 HB3 SER 9 3HB SER 9 2.049 -13.923 -3.937 77 HG SER 9 HG SER 9 2.565 -11.908 -2.102 78 H ASP 10 H ASP 10 -1.042 -11.425 -3.123 79 HA ASP 10 HA ASP 10 -3.009 -13.281 -4.315 80 HB2 ASP 10 2HB ASP 10 -1.813 -14.382 -2.372 81 HB3 ASP 10 3HB ASP 10 -2.390 -13.092 -1.323 82 H ASP 11 H ASP 11 -5.221 -12.855 -3.102 83 HA ASP 11 HA ASP 11 -5.798 -10.030 -3.591 84 HB2 ASP 11 2HB ASP 11 -7.571 -12.498 -3.412 85 HB3 ASP 11 3HB ASP 11 -8.237 -10.867 -3.482 86 H GLU 12 H GLU 12 -6.149 -12.506 -1.033 87 HA GLU 12 HA GLU 12 -7.458 -10.839 0.882 88 HB2 GLU 12 2HB GLU 12 -7.463 -13.305 1.074 89 HB3 GLU 12 3HB GLU 12 -5.717 -13.309 1.289 90 HG2 GLU 12 2HG GLU 12 -6.031 -11.996 3.413 91 HG3 GLU 12 3HG GLU 12 -7.776 -12.161 3.214 92 H GLU 13 H GLU 13 -4.069 -11.837 0.352 93 HA GLU 13 HA GLU 13 -2.755 -10.356 2.305 94 HB2 GLU 13 2HB GLU 13 -1.678 -12.084 0.900 95 HB3 GLU 13 3HB GLU 13 -1.798 -11.029 -0.508 96 HG2 GLU 13 2HG GLU 13 -0.335 -9.364 0.804 97 HG3 GLU 13 3HG GLU 13 -0.053 -10.674 1.952 98 H ALA 14 H ALA 14 -3.839 -9.367 -0.919 99 HA ALA 14 HA ALA 14 -2.774 -6.763 -1.003 100 HB1 ALA 14 3HB ALA 14 -3.716 -7.902 -2.976 101 HB2 ALA 14 1HB ALA 14 -4.476 -6.324 -2.727 102 HB3 ALA 14 2HB ALA 14 -5.329 -7.803 -2.274 103 H GLU 15 H GLU 15 -5.905 -7.993 0.199 104 HA GLU 15 HA GLU 15 -6.985 -5.448 0.959 105 HB2 GLU 15 2HB GLU 15 -7.829 -8.276 1.710 106 HB3 GLU 15 3HB GLU 15 -8.770 -6.821 2.061 107 HG2 GLU 15 2HG GLU 15 -9.034 -6.366 -0.327 108 HG3 GLU 15 3HG GLU 15 -7.999 -7.736 -0.730 109 H LYS 16 H LYS 16 -4.981 -7.806 2.550 110 HA LYS 16 HA LYS 16 -5.147 -6.976 5.235 111 HB2 LYS 16 2HB LYS 16 -2.810 -8.115 3.639 112 HB3 LYS 16 3HB LYS 16 -2.747 -7.853 5.376 113 HG2 LYS 16 2HG LYS 16 -4.763 -9.677 4.025 114 HG3 LYS 16 3HG LYS 16 -3.207 -10.228 4.649 115 HD2 LYS 16 2HD LYS 16 -5.381 -8.902 6.318 116 HD3 LYS 16 3HD LYS 16 -5.100 -10.641 6.219 117 HE2 LYS 16 2HE LYS 16 -2.897 -10.393 7.227 118 HE3 LYS 16 3HE LYS 16 -3.039 -8.633 7.201 119 HZ1 LYS 16 3HZ LYS 16 -3.507 -9.578 9.380 120 HZ2 LYS 16 1HZ LYS 16 -4.800 -10.456 8.733 121 HZ3 LYS 16 2HZ LYS 16 -4.848 -8.765 8.748 122 H ILE 17 H ILE 17 -3.135 -5.938 2.515 123 HA ILE 17 HA ILE 17 -1.643 -3.918 3.796 124 HB ILE 17 HB ILE 17 -2.389 -4.163 0.846 125 HG12 ILE 17 2HG1 ILE 17 -1.261 -6.187 1.458 126 HG13 ILE 17 3HG1 ILE 17 -0.057 -5.202 0.644 127 HG21 ILE 17 1HG2 ILE 17 -0.388 -2.788 0.378 128 HG22 ILE 17 2HG2 ILE 17 -0.143 -2.562 2.111 129 HG23 ILE 17 3HG2 ILE 17 -1.584 -1.907 1.332 130 HD11 ILE 17 3HD1 ILE 17 0.873 -4.585 2.845 131 HD12 ILE 17 1HD1 ILE 17 0.901 -6.320 2.537 132 HD13 ILE 17 2HD1 ILE 17 -0.312 -5.642 3.618 133 H ILE 18 H ILE 18 -4.673 -3.821 1.924 134 HA ILE 18 HA ILE 18 -5.142 -1.047 1.921 135 HB ILE 18 HB ILE 18 -7.226 -3.287 1.953 136 HG12 ILE 18 2HG1 ILE 18 -5.992 -1.823 -0.432 137 HG13 ILE 18 3HG1 ILE 18 -5.599 -3.464 0.063 138 HG21 ILE 18 1HG2 ILE 18 -8.786 -1.647 0.933 139 HG22 ILE 18 2HG2 ILE 18 -7.562 -0.384 1.085 140 HG23 ILE 18 3HG2 ILE 18 -8.256 -1.117 2.533 141 HD11 ILE 18 3HD1 ILE 18 -7.082 -3.467 -1.841 142 HD12 ILE 18 1HD1 ILE 18 -8.276 -2.514 -0.957 143 HD13 ILE 18 2HD1 ILE 18 -7.895 -4.159 -0.438 144 H ARG 19 H ARG 19 -5.893 -3.557 4.335 145 HA ARG 19 HA ARG 19 -7.424 -1.901 6.066 146 HB2 ARG 19 2HB ARG 19 -7.600 -4.376 6.131 147 HB3 ARG 19 3HB ARG 19 -5.949 -4.484 6.749 148 HG2 ARG 19 2HG ARG 19 -6.617 -3.242 8.772 149 HG3 ARG 19 3HG ARG 19 -8.256 -3.086 8.147 150 HD2 ARG 19 2HD ARG 19 -8.569 -5.515 8.310 151 HD3 ARG 19 3HD ARG 19 -6.900 -5.708 8.868 152 HE ARG 19 HE ARG 19 -7.827 -3.971 10.663 153 HH11 ARG 19 1HH1 ARG 19 -9.273 -6.997 9.584 154 HH12 ARG 19 2HH1 ARG 19 -10.085 -7.269 11.092 155 HH21 ARG 19 1HH2 ARG 19 -8.923 -4.331 12.592 156 HH22 ARG 19 2HH2 ARG 19 -9.888 -5.760 12.794 157 H GLU 20 H GLU 20 -3.955 -2.838 6.037 158 HA GLU 20 HA GLU 20 -3.133 -1.631 8.425 159 HB2 GLU 20 2HB GLU 20 -1.512 -1.859 5.845 160 HB3 GLU 20 3HB GLU 20 -0.848 -1.546 7.447 161 HG2 GLU 20 2HG GLU 20 -2.171 -4.086 6.482 162 HG3 GLU 20 3HG GLU 20 -0.464 -3.841 6.828 163 H ILE 21 H ILE 21 -3.209 -0.327 5.139 164 HA ILE 21 HA ILE 21 -2.088 2.195 5.710 165 HB ILE 21 HB ILE 21 -3.841 1.336 3.368 166 HG12 ILE 21 2HG1 ILE 21 -1.774 0.004 3.486 167 HG13 ILE 21 3HG1 ILE 21 -1.678 1.110 2.125 168 HG21 ILE 21 1HG2 ILE 21 -2.901 3.291 2.159 169 HG22 ILE 21 2HG2 ILE 21 -2.097 3.814 3.641 170 HG23 ILE 21 3HG2 ILE 21 -3.861 3.778 3.556 171 HD11 ILE 21 3HD1 ILE 21 -0.304 1.445 4.791 172 HD12 ILE 21 1HD1 ILE 21 -0.208 2.576 3.438 173 HD13 ILE 21 2HD1 ILE 21 0.438 0.945 3.273 174 H ARG 22 H ARG 22 -5.495 1.086 5.501 175 HA ARG 22 HA ARG 22 -6.486 3.784 5.812 176 HB2 ARG 22 2HB ARG 22 -8.042 1.187 5.692 177 HB3 ARG 22 3HB ARG 22 -8.748 2.806 5.696 178 HG2 ARG 22 2HG ARG 22 -7.215 3.193 3.584 179 HG3 ARG 22 3HG ARG 22 -7.160 1.432 3.520 180 HD2 ARG 22 2HD ARG 22 -8.917 2.131 2.062 181 HD3 ARG 22 3HD ARG 22 -9.697 1.463 3.503 182 HE ARG 22 HE ARG 22 -9.255 4.357 3.435 183 HH11 ARG 22 1HH1 ARG 22 -11.593 1.752 3.062 184 HH12 ARG 22 2HH1 ARG 22 -12.958 2.809 3.215 185 HH21 ARG 22 1HH2 ARG 22 -11.039 5.719 3.586 186 HH22 ARG 22 2HH2 ARG 22 -12.643 5.058 3.510 187 H GLU 23 H GLU 23 -5.626 1.315 8.070 188 HA GLU 23 HA GLU 23 -7.242 2.264 10.251 189 HB2 GLU 23 2HB GLU 23 -4.706 0.605 10.130 190 HB3 GLU 23 3HB GLU 23 -5.342 1.163 11.676 191 HG2 GLU 23 2HG GLU 23 -7.490 0.001 11.176 192 HG3 GLU 23 3HG GLU 23 -6.778 -0.612 9.681 193 H GLN 24 H GLN 24 -4.040 3.100 9.014 194 HA GLN 24 HA GLN 24 -3.559 5.072 11.147 195 HB2 GLN 24 2HB GLN 24 -1.776 4.405 8.765 196 HB3 GLN 24 3HB GLN 24 -1.314 5.255 10.240 197 HG2 GLN 24 2HG GLN 24 -1.713 3.171 11.536 198 HG3 GLN 24 3HG GLN 24 -2.115 2.334 10.036 199 HE21 GLN 24 1HE2 GLN 24 0.443 3.663 11.975 200 HE22 GLN 24 2HE2 GLN 24 1.752 2.982 11.079 201 H TRP 25 H TRP 25 -4.359 4.878 7.763 202 HA TRP 25 HA TRP 25 -4.839 7.790 7.556 203 HB2 TRP 25 2HB TRP 25 -3.650 6.078 5.323 204 HB3 TRP 25 3HB TRP 25 -3.981 7.803 5.247 205 HD1 TRP 25 HD1 TRP 25 -2.254 9.425 6.645 206 HE1 TRP 25 HE1 TRP 25 0.199 9.055 7.296 207 HE3 TRP 25 HE3 TRP 25 -1.945 4.359 5.957 208 HZ2 TRP 25 HZ2 TRP 25 2.026 6.940 7.505 209 HZ3 TRP 25 HZ3 TRP 25 0.197 3.237 6.401 210 HH2 TRP 25 HH2 TRP 25 2.144 4.506 7.158 211 HA PRO 26 HA PRO 26 -8.707 5.362 6.282 212 HB2 PRO 26 2HB PRO 26 -10.032 7.655 7.690 213 HB3 PRO 26 3HB PRO 26 -10.329 5.910 7.846 214 HG2 PRO 26 2HG PRO 26 -9.090 7.277 9.784 215 HG3 PRO 26 3HG PRO 26 -8.617 5.608 9.383 216 HD2 PRO 26 2HD PRO 26 -7.253 8.188 8.625 217 HD3 PRO 26 3HD PRO 26 -6.539 6.646 9.155 218 H LYS 27 H LYS 27 -7.632 8.671 5.999 219 HA LYS 27 HA LYS 27 -9.508 9.291 3.813 220 HB2 LYS 27 2HB LYS 27 -7.639 11.120 5.374 221 HB3 LYS 27 3HB LYS 27 -8.822 11.636 4.173 222 HG2 LYS 27 2HG LYS 27 -10.636 10.710 5.677 223 HG3 LYS 27 3HG LYS 27 -9.394 10.400 6.893 224 HD2 LYS 27 2HD LYS 27 -10.161 13.128 5.761 225 HD3 LYS 27 3HD LYS 27 -10.566 12.512 7.365 226 HE2 LYS 27 2HE LYS 27 -8.180 12.472 7.971 227 HE3 LYS 27 3HE LYS 27 -7.743 13.026 6.354 228 HZ1 LYS 27 3HZ LYS 27 -8.965 15.071 6.779 229 HZ2 LYS 27 1HZ LYS 27 -7.734 14.843 7.913 230 HZ3 LYS 27 2HZ LYS 27 -9.340 14.544 8.340 231 H ALA 28 H ALA 28 -7.266 7.470 3.303 232 HA ALA 28 HA ALA 28 -5.477 9.080 1.571 233 HB1 ALA 28 3HB ALA 28 -4.799 6.463 2.983 234 HB2 ALA 28 1HB ALA 28 -4.105 8.047 3.339 235 HB3 ALA 28 2HB ALA 28 -3.781 7.273 1.788 236 H THR 29 H THR 29 -6.148 8.698 -0.554 237 HA THR 29 HA THR 29 -8.153 6.816 -1.143 238 HB THR 29 HB THR 29 -7.639 7.411 -3.582 239 HG1 THR 29 HG1 THR 29 -5.514 7.939 -3.566 240 HG21 THR 29 3HG2 THR 29 -8.012 9.765 -1.690 241 HG22 THR 29 1HG2 THR 29 -9.300 8.710 -2.276 242 HG23 THR 29 2HG2 THR 29 -8.425 9.746 -3.405 243 H VAL 30 H VAL 30 -7.699 4.719 -0.793 244 HA VAL 30 HA VAL 30 -5.407 3.399 -2.078 245 HB VAL 30 HB VAL 30 -7.570 2.152 -0.308 246 HG11 VAL 30 1HG1 VAL 30 -4.863 1.054 -1.171 247 HG12 VAL 30 2HG1 VAL 30 -6.437 0.510 -1.758 248 HG13 VAL 30 3HG1 VAL 30 -5.992 0.259 -0.069 249 HG21 VAL 30 3HG2 VAL 30 -5.941 2.199 1.542 250 HG22 VAL 30 1HG2 VAL 30 -6.316 3.833 0.986 251 HG23 VAL 30 2HG2 VAL 30 -4.793 3.069 0.524 252 H THR 31 H THR 31 -5.712 1.929 -3.716 253 HA THR 31 HA THR 31 -8.379 1.590 -4.927 254 HB THR 31 HB THR 31 -5.858 2.261 -6.525 255 HG1 THR 31 HG1 THR 31 -6.595 4.071 -5.261 256 HG21 THR 31 3HG2 THR 31 -7.575 0.956 -7.763 257 HG22 THR 31 1HG2 THR 31 -7.410 2.595 -8.405 258 HG23 THR 31 2HG2 THR 31 -8.779 2.188 -7.370 259 H ARG 32 H ARG 32 -8.696 -0.543 -5.410 260 HA ARG 32 HA ARG 32 -6.467 -2.431 -5.127 261 HB2 ARG 32 2HB ARG 32 -8.501 -2.836 -3.784 262 HB3 ARG 32 3HB ARG 32 -9.486 -2.858 -5.246 263 HG2 ARG 32 2HG ARG 32 -8.243 -4.877 -6.019 264 HG3 ARG 32 3HG ARG 32 -7.319 -4.859 -4.514 265 HD2 ARG 32 2HD ARG 32 -9.382 -5.210 -3.226 266 HD3 ARG 32 3HD ARG 32 -10.333 -5.165 -4.719 267 HE ARG 32 HE ARG 32 -8.464 -7.144 -5.111 268 HH11 ARG 32 1HH1 ARG 32 -11.067 -6.584 -2.810 269 HH12 ARG 32 2HH1 ARG 32 -11.360 -8.275 -2.559 270 HH21 ARG 32 1HH2 ARG 32 -8.861 -9.347 -4.772 271 HH22 ARG 32 2HH2 ARG 32 -10.112 -9.835 -3.670 272 H THR 33 H THR 33 -5.599 -3.342 -6.889 273 HA THR 33 HA THR 33 -7.004 -3.457 -9.455 274 HB THR 33 HB THR 33 -4.189 -2.272 -9.154 275 HG1 THR 33 HG1 THR 33 -6.728 -1.083 -9.455 276 HG21 THR 33 3HG2 THR 33 -4.481 -3.525 -11.269 277 HG22 THR 33 1HG2 THR 33 -4.358 -1.790 -11.573 278 HG23 THR 33 2HG2 THR 33 -5.933 -2.586 -11.632 279 H ASN 34 H ASN 34 -7.015 -5.695 -9.537 280 HA ASN 34 HA ASN 34 -5.617 -7.464 -7.992 281 HB2 ASN 34 2HB ASN 34 -6.867 -7.869 -10.722 282 HB3 ASN 34 3HB ASN 34 -6.192 -9.210 -9.799 283 HD21 ASN 34 1HD2 ASN 34 -8.310 -10.109 -9.817 284 HD22 ASN 34 2HD2 ASN 34 -9.510 -9.556 -8.704 285 H GLY 35 H GLY 35 -3.540 -7.790 -7.737 286 HA2 GLY 35 2HA GLY 35 -1.450 -8.754 -8.636 287 HA3 GLY 35 3HA GLY 35 -1.638 -7.692 -10.026 288 H ASP 36 H ASP 36 -2.682 -5.655 -7.934 289 HA ASP 36 HA ASP 36 -0.215 -4.743 -6.693 290 HB2 ASP 36 2HB ASP 36 -1.668 -3.131 -8.843 291 HB3 ASP 36 3HB ASP 36 -0.551 -2.398 -7.698 292 H ILE 37 H ILE 37 -0.534 -3.330 -4.998 293 HA ILE 37 HA ILE 37 -3.199 -2.197 -4.469 294 HB ILE 37 HB ILE 37 -0.686 -2.289 -2.736 295 HG12 ILE 37 2HG1 ILE 37 -1.963 -4.374 -2.733 296 HG13 ILE 37 3HG1 ILE 37 -2.178 -3.577 -1.178 297 HG21 ILE 37 1HG2 ILE 37 -1.720 -0.078 -2.369 298 HG22 ILE 37 2HG2 ILE 37 -1.951 -1.103 -0.952 299 HG23 ILE 37 3HG2 ILE 37 -3.287 -0.836 -2.074 300 HD11 ILE 37 3HD1 ILE 37 -4.254 -4.514 -1.944 301 HD12 ILE 37 1HD1 ILE 37 -4.151 -3.625 -3.460 302 HD13 ILE 37 2HD1 ILE 37 -4.378 -2.757 -1.938 303 H LYS 38 H LYS 38 -3.543 -0.428 -5.600 304 HA LYS 38 HA LYS 38 -1.407 1.459 -6.274 305 HB2 LYS 38 2HB LYS 38 -2.976 0.727 -8.028 306 HB3 LYS 38 3HB LYS 38 -4.343 1.294 -7.077 307 HG2 LYS 38 2HG LYS 38 -3.590 3.614 -7.336 308 HG3 LYS 38 3HG LYS 38 -2.159 3.072 -8.219 309 HD2 LYS 38 2HD LYS 38 -5.007 2.544 -9.157 310 HD3 LYS 38 3HD LYS 38 -4.080 3.962 -9.645 311 HE2 LYS 38 2HE LYS 38 -3.912 2.347 -11.411 312 HE3 LYS 38 3HE LYS 38 -2.345 2.390 -10.612 313 HZ1 LYS 38 3HZ LYS 38 -2.880 0.346 -9.488 314 HZ2 LYS 38 1HZ LYS 38 -3.103 0.141 -11.147 315 HZ3 LYS 38 2HZ LYS 38 -4.439 0.340 -10.134 316 H LEU 39 H LEU 39 -0.967 2.775 -4.614 317 HA LEU 39 HA LEU 39 -3.117 3.943 -2.942 318 HB2 LEU 39 2HB LEU 39 -1.739 2.375 -1.670 319 HB3 LEU 39 3HB LEU 39 -0.264 3.137 -2.241 320 HG LEU 39 HG LEU 39 -0.781 5.174 -0.926 321 HD11 LEU 39 1HD1 LEU 39 -3.232 3.694 0.076 322 HD12 LEU 39 2HD1 LEU 39 -3.223 5.121 -0.964 323 HD13 LEU 39 3HD1 LEU 39 -2.627 5.236 0.689 324 HD21 LEU 39 3HD2 LEU 39 0.580 3.446 0.100 325 HD22 LEU 39 1HD2 LEU 39 -0.861 2.625 0.708 326 HD23 LEU 39 2HD2 LEU 39 -0.430 4.226 1.314 327 H ASP 40 H ASP 40 -2.903 6.150 -2.419 328 HA ASP 40 HA ASP 40 -0.811 7.686 -3.848 329 HB2 ASP 40 2HB ASP 40 -3.060 8.040 -4.880 330 HB3 ASP 40 3HB ASP 40 -3.682 8.578 -3.324 331 H ALA 41 H ALA 41 0.518 8.456 -2.422 332 HA ALA 41 HA ALA 41 -0.248 9.311 0.285 333 HB1 ALA 41 3HB ALA 41 1.787 7.949 0.025 334 HB2 ALA 41 1HB ALA 41 2.185 9.556 0.642 335 HB3 ALA 41 2HB ALA 41 2.478 9.161 -1.055 336 H GLN 42 H GLN 42 0.514 11.446 1.054 337 HA GLN 42 HA GLN 42 -0.152 13.552 -0.822 338 HB2 GLN 42 2HB GLN 42 -0.918 13.549 1.588 339 HB3 GLN 42 3HB GLN 42 0.752 13.811 2.085 340 HG2 GLN 42 2HG GLN 42 -0.423 15.937 2.105 341 HG3 GLN 42 3HG GLN 42 0.772 15.953 0.808 342 HE21 GLN 42 1HE2 GLN 42 -0.299 17.539 -0.408 343 HE22 GLN 42 2HE2 GLN 42 -1.803 17.251 -1.207 344 H THR 43 H THR 43 2.629 12.933 1.307 345 HA THR 43 HA THR 43 4.459 14.218 -0.636 346 HB THR 43 HB THR 43 5.950 14.714 1.306 347 HG1 THR 43 HG1 THR 43 3.967 14.304 3.200 348 HG21 THR 43 3HG2 THR 43 4.374 16.487 0.581 349 HG22 THR 43 1HG2 THR 43 4.647 16.548 2.324 350 HG23 THR 43 2HG2 THR 43 3.152 15.857 1.690 351 H GLU 44 H GLU 44 6.796 13.341 -0.073 352 HA GLU 44 HA GLU 44 6.739 10.537 -0.766 353 HB2 GLU 44 2HB GLU 44 9.246 12.218 -0.250 354 HB3 GLU 44 3HB GLU 44 9.140 10.699 -1.131 355 HG2 GLU 44 2HG GLU 44 9.398 12.361 -2.792 356 HG3 GLU 44 3HG GLU 44 7.688 11.930 -2.835 357 H LYS 45 H LYS 45 7.503 12.506 2.029 358 HA LYS 45 HA LYS 45 8.694 10.490 3.658 359 HB2 LYS 45 2HB LYS 45 8.885 13.017 3.999 360 HB3 LYS 45 3HB LYS 45 7.231 13.004 4.595 361 HG2 LYS 45 2HG LYS 45 8.794 13.024 6.471 362 HG3 LYS 45 3HG LYS 45 7.913 11.494 6.447 363 HD2 LYS 45 2HD LYS 45 10.298 11.111 6.939 364 HD3 LYS 45 3HD LYS 45 9.865 10.379 5.390 365 HE2 LYS 45 2HE LYS 45 10.809 12.421 4.246 366 HE3 LYS 45 3HE LYS 45 11.357 12.996 5.820 367 HZ1 LYS 45 3HZ LYS 45 12.715 11.004 6.012 368 HZ2 LYS 45 1HZ LYS 45 13.115 11.889 4.629 369 HZ3 LYS 45 2HZ LYS 45 12.192 10.478 4.491 370 H GLU 46 H GLU 46 5.423 11.820 3.316 371 HA GLU 46 HA GLU 46 3.932 10.188 4.980 372 HB2 GLU 46 2HB GLU 46 3.113 12.125 3.505 373 HB3 GLU 46 3HB GLU 46 3.085 10.993 2.164 374 HG2 GLU 46 2HG GLU 46 0.863 11.022 2.874 375 HG3 GLU 46 3HG GLU 46 1.511 9.570 3.639 376 H ALA 47 H ALA 47 4.877 9.628 1.597 377 HA ALA 47 HA ALA 47 3.818 7.104 1.154 378 HB1 ALA 47 3HB ALA 47 5.345 6.969 -0.751 379 HB2 ALA 47 1HB ALA 47 6.307 8.298 -0.095 380 HB3 ALA 47 2HB ALA 47 4.649 8.587 -0.625 381 H GLU 48 H GLU 48 6.923 8.004 2.623 382 HA GLU 48 HA GLU 48 8.156 5.453 2.503 383 HB2 GLU 48 2HB GLU 48 8.717 7.892 4.221 384 HB3 GLU 48 3HB GLU 48 9.669 6.413 4.358 385 HG2 GLU 48 2HG GLU 48 10.323 6.591 1.993 386 HG3 GLU 48 3HG GLU 48 9.352 8.055 1.826 387 H LYS 49 H LYS 49 6.016 6.914 4.905 388 HA LYS 49 HA LYS 49 6.290 4.783 6.838 389 HB2 LYS 49 2HB LYS 49 4.042 6.804 6.481 390 HB3 LYS 49 3HB LYS 49 4.329 5.818 7.915 391 HG2 LYS 49 2HG LYS 49 6.400 7.000 8.381 392 HG3 LYS 49 3HG LYS 49 6.270 7.913 6.871 393 HD2 LYS 49 2HD LYS 49 4.313 8.067 9.202 394 HD3 LYS 49 3HD LYS 49 5.564 9.254 8.843 395 HE2 LYS 49 2HE LYS 49 4.473 9.799 6.723 396 HE3 LYS 49 3HE LYS 49 3.253 8.555 7.005 397 HZ1 LYS 49 3HZ LYS 49 2.439 10.746 7.567 398 HZ2 LYS 49 1HZ LYS 49 3.690 10.960 8.683 399 HZ3 LYS 49 2HZ LYS 49 2.517 9.774 8.948 400 H MET 50 H MET 50 3.936 5.713 4.451 401 HA MET 50 HA MET 50 2.029 3.712 4.575 402 HB2 MET 50 2HB MET 50 2.983 5.246 2.139 403 HB3 MET 50 3HB MET 50 1.627 4.126 2.066 404 HG2 MET 50 2HG MET 50 0.496 5.450 3.856 405 HG3 MET 50 3HG MET 50 1.813 6.625 3.760 406 HE1 MET 50 3HE MET 50 -1.345 8.344 2.049 407 HE2 MET 50 1HE MET 50 -0.219 8.443 3.402 408 HE3 MET 50 2HE MET 50 -1.422 7.152 3.346 409 H GLU 51 H GLU 51 4.762 3.565 2.253 410 HA GLU 51 HA GLU 51 4.443 0.941 1.401 411 HB2 GLU 51 2HB GLU 51 6.710 1.131 0.508 412 HB3 GLU 51 3HB GLU 51 5.829 2.628 0.255 413 HG2 GLU 51 2HG GLU 51 6.991 3.621 2.191 414 HG3 GLU 51 3HG GLU 51 7.888 2.122 2.421 415 H LYS 52 H LYS 52 5.929 2.074 4.328 416 HA LYS 52 HA LYS 52 7.336 -0.391 4.984 417 HB2 LYS 52 2HB LYS 52 7.020 2.285 6.289 418 HB3 LYS 52 3HB LYS 52 7.239 0.942 7.392 419 HG2 LYS 52 2HG LYS 52 9.352 2.091 6.845 420 HG3 LYS 52 3HG LYS 52 9.372 0.378 6.417 421 HD2 LYS 52 2HD LYS 52 9.148 0.872 4.070 422 HD3 LYS 52 3HD LYS 52 8.774 2.562 4.389 423 HE2 LYS 52 2HE LYS 52 11.084 2.866 5.283 424 HE3 LYS 52 3HE LYS 52 11.435 1.192 4.836 425 HZ1 LYS 52 3HZ LYS 52 10.642 3.357 2.973 426 HZ2 LYS 52 1HZ LYS 52 10.945 1.752 2.541 427 HZ3 LYS 52 2HZ LYS 52 12.192 2.711 3.152 428 H ALA 53 H ALA 53 4.264 1.137 5.727 429 HA ALA 53 HA ALA 53 3.299 -0.713 7.647 430 HB1 ALA 53 3HB ALA 53 1.084 0.279 7.204 431 HB2 ALA 53 1HB ALA 53 1.723 1.086 5.768 432 HB3 ALA 53 2HB ALA 53 2.317 1.532 7.369 433 H VAL 54 H VAL 54 3.103 -0.571 4.102 434 HA VAL 54 HA VAL 54 1.657 -2.871 3.536 435 HB VAL 54 HB VAL 54 4.085 -1.757 2.048 436 HG11 VAL 54 1HG1 VAL 54 3.157 -2.884 0.052 437 HG12 VAL 54 2HG1 VAL 54 1.894 -3.607 1.047 438 HG13 VAL 54 3HG1 VAL 54 3.584 -4.037 1.316 439 HG21 VAL 54 3HG2 VAL 54 2.347 -0.042 2.323 440 HG22 VAL 54 1HG2 VAL 54 1.133 -1.133 1.659 441 HG23 VAL 54 2HG2 VAL 54 2.443 -0.544 0.633 442 H LYS 55 H LYS 55 5.196 -2.522 3.839 443 HA LYS 55 HA LYS 55 5.892 -5.195 3.453 444 HB2 LYS 55 2HB LYS 55 7.415 -2.882 4.678 445 HB3 LYS 55 3HB LYS 55 8.141 -4.484 4.543 446 HG2 LYS 55 2HG LYS 55 7.765 -4.429 2.087 447 HG3 LYS 55 3HG LYS 55 7.117 -2.791 2.238 448 HD2 LYS 55 2HD LYS 55 9.268 -1.953 3.008 449 HD3 LYS 55 3HD LYS 55 9.927 -3.589 3.096 450 HE2 LYS 55 2HE LYS 55 9.056 -2.193 0.541 451 HE3 LYS 55 3HE LYS 55 10.719 -2.352 1.102 452 HZ1 LYS 55 3HZ LYS 55 10.127 -4.006 -0.573 453 HZ2 LYS 55 1HZ LYS 55 8.932 -4.628 0.446 454 HZ3 LYS 55 2HZ LYS 55 10.558 -4.729 0.895 455 H LYS 56 H LYS 56 4.457 -3.939 6.285 456 HA LYS 56 HA LYS 56 5.555 -5.679 8.239 457 HB2 LYS 56 2HB LYS 56 2.771 -4.441 8.106 458 HB3 LYS 56 3HB LYS 56 3.433 -5.263 9.520 459 HG2 LYS 56 2HG LYS 56 5.265 -3.551 9.587 460 HG3 LYS 56 3HG LYS 56 4.459 -2.690 8.272 461 HD2 LYS 56 2HD LYS 56 3.320 -3.227 11.050 462 HD3 LYS 56 3HD LYS 56 3.908 -1.673 10.448 463 HE2 LYS 56 2HE LYS 56 2.102 -1.623 8.781 464 HE3 LYS 56 3HE LYS 56 1.538 -3.203 9.315 465 HZ1 LYS 56 3HZ LYS 56 1.259 -2.109 11.559 466 HZ2 LYS 56 1HZ LYS 56 0.162 -1.684 10.346 467 HZ3 LYS 56 2HZ LYS 56 1.419 -0.633 10.752 468 H VAL 57 H VAL 57 2.765 -6.047 6.029 469 HA VAL 57 HA VAL 57 2.141 -8.717 7.043 470 HB VAL 57 HB VAL 57 0.847 -7.266 4.692 471 HG11 VAL 57 1HG1 VAL 57 -1.053 -8.816 5.087 472 HG12 VAL 57 2HG1 VAL 57 -0.129 -9.627 6.348 473 HG13 VAL 57 3HG1 VAL 57 0.421 -9.685 4.672 474 HG21 VAL 57 3HG2 VAL 57 -0.067 -7.298 7.593 475 HG22 VAL 57 1HG2 VAL 57 -0.944 -6.577 6.239 476 HG23 VAL 57 2HG2 VAL 57 0.610 -5.908 6.741 477 H LYS 58 H LYS 58 4.042 -7.346 4.471 478 HA LYS 58 HA LYS 58 4.305 -9.939 3.162 479 HB2 LYS 58 2HB LYS 58 3.710 -9.231 0.948 480 HB3 LYS 58 3HB LYS 58 2.362 -8.897 2.021 481 HG2 LYS 58 2HG LYS 58 2.975 -6.487 2.020 482 HG3 LYS 58 3HG LYS 58 4.318 -6.840 0.932 483 HD2 LYS 58 2HD LYS 58 1.346 -7.070 0.344 484 HD3 LYS 58 3HD LYS 58 2.515 -5.978 -0.404 485 HE2 LYS 58 2HE LYS 58 2.442 -8.999 -0.711 486 HE3 LYS 58 3HE LYS 58 1.934 -7.819 -1.911 487 HZ1 LYS 58 3HZ LYS 58 4.150 -8.783 -2.288 488 HZ2 LYS 58 1HZ LYS 58 4.700 -8.033 -0.879 489 HZ3 LYS 58 2HZ LYS 58 4.160 -7.099 -2.184 490 HA PRO 59 HA PRO 59 8.483 -8.106 3.267 491 HB2 PRO 59 2HB PRO 59 9.838 -10.448 2.746 492 HB3 PRO 59 3HB PRO 59 9.192 -10.043 4.350 493 HG2 PRO 59 2HG PRO 59 7.998 -11.823 2.241 494 HG3 PRO 59 3HG PRO 59 8.143 -12.096 3.993 495 HD2 PRO 59 2HD PRO 59 5.825 -11.241 2.868 496 HD3 PRO 59 3HD PRO 59 6.320 -10.731 4.499 497 H ASN 60 H ASN 60 6.996 -9.995 0.654 498 HA ASN 60 HA ASN 60 9.063 -9.239 -1.283 499 HB2 ASN 60 2HB ASN 60 8.097 -11.590 -1.126 500 HB3 ASN 60 3HB ASN 60 6.579 -10.950 -1.739 501 HD21 ASN 60 1HD2 ASN 60 9.961 -11.531 -2.522 502 HD22 ASN 60 2HD2 ASN 60 9.759 -11.522 -4.237 503 H ALA 61 H ALA 61 7.247 -7.219 -0.073 504 HA ALA 61 HA ALA 61 5.589 -6.160 -2.130 505 HB1 ALA 61 3HB ALA 61 5.367 -5.476 0.219 506 HB2 ALA 61 1HB ALA 61 5.651 -4.073 -0.815 507 HB3 ALA 61 2HB ALA 61 6.964 -4.726 0.170 508 H THR 62 H THR 62 6.392 -5.709 -4.104 509 HA THR 62 HA THR 62 8.919 -4.201 -4.409 510 HB THR 62 HB THR 62 7.160 -5.487 -6.555 511 HG1 THR 62 HG1 THR 62 8.163 -7.055 -5.282 512 HG21 THR 62 3HG2 THR 62 9.964 -4.307 -6.756 513 HG22 THR 62 1HG2 THR 62 8.499 -3.598 -7.447 514 HG23 THR 62 2HG2 THR 62 9.105 -5.140 -8.054 515 H ILE 63 H ILE 63 8.552 -2.067 -4.141 516 HA ILE 63 HA ILE 63 5.867 -0.958 -4.714 517 HB ILE 63 HB ILE 63 7.963 0.003 -2.701 518 HG12 ILE 63 2HG1 ILE 63 5.426 -1.601 -2.131 519 HG13 ILE 63 3HG1 ILE 63 7.021 -2.326 -2.245 520 HG21 ILE 63 1HG2 ILE 63 6.122 1.351 -1.733 521 HG22 ILE 63 2HG2 ILE 63 5.034 0.783 -3.003 522 HG23 ILE 63 3HG2 ILE 63 6.419 1.796 -3.417 523 HD11 ILE 63 3HD1 ILE 63 6.447 -2.088 0.029 524 HD12 ILE 63 1HD1 ILE 63 6.042 -0.387 -0.179 525 HD13 ILE 63 2HD1 ILE 63 7.718 -0.920 -0.327 526 H ARG 64 H ARG 64 5.715 0.679 -6.140 527 HA ARG 64 HA ARG 64 8.172 1.705 -7.445 528 HB2 ARG 64 2HB ARG 64 5.350 1.355 -8.563 529 HB3 ARG 64 3HB ARG 64 6.719 2.019 -9.451 530 HG2 ARG 64 2HG ARG 64 7.872 -0.132 -9.362 531 HG3 ARG 64 3HG ARG 64 6.584 -0.814 -8.362 532 HD2 ARG 64 2HD ARG 64 6.372 -1.506 -10.726 533 HD3 ARG 64 3HD ARG 64 4.984 -0.548 -10.198 534 HE ARG 64 HE ARG 64 7.144 0.883 -11.563 535 HH11 ARG 64 1HH1 ARG 64 3.949 -0.555 -11.856 536 HH12 ARG 64 2HH1 ARG 64 3.566 0.307 -13.313 537 HH21 ARG 64 1HH2 ARG 64 6.630 1.997 -13.480 538 HH22 ARG 64 2HH2 ARG 64 5.083 1.748 -14.231 539 H LYS 65 H LYS 65 8.561 3.619 -6.484 540 HA LYS 65 HA LYS 65 6.388 5.435 -5.700 541 HB2 LYS 65 2HB LYS 65 8.242 5.001 -4.076 542 HB3 LYS 65 3HB LYS 65 9.394 5.689 -5.216 543 HG2 LYS 65 2HG LYS 65 8.141 7.869 -5.083 544 HG3 LYS 65 3HG LYS 65 7.105 7.158 -3.850 545 HD2 LYS 65 2HD LYS 65 10.114 7.522 -3.583 546 HD3 LYS 65 3HD LYS 65 8.914 8.648 -2.958 547 HE2 LYS 65 2HE LYS 65 9.501 7.371 -1.076 548 HE3 LYS 65 3HE LYS 65 8.003 6.615 -1.613 549 HZ1 LYS 65 3HZ LYS 65 9.676 4.983 -1.044 550 HZ2 LYS 65 1HZ LYS 65 10.747 5.625 -2.183 551 HZ3 LYS 65 2HZ LYS 65 9.313 4.890 -2.686 552 H THR 66 H THR 66 5.762 7.018 -7.010 553 HA THR 66 HA THR 66 7.769 8.637 -8.428 554 HB THR 66 HB THR 66 6.805 7.270 -10.232 555 HG1 THR 66 HG1 THR 66 6.735 8.998 -11.439 556 HG21 THR 66 3HG2 THR 66 4.080 8.300 -9.348 557 HG22 THR 66 1HG2 THR 66 4.646 6.633 -9.219 558 HG23 THR 66 2HG2 THR 66 4.396 7.360 -10.808 559 H GLY 67 H GLY 67 6.884 10.845 -8.877 560 HA2 GLY 67 2HA GLY 67 5.439 12.654 -8.296 561 HA3 GLY 67 3HA GLY 67 4.798 11.706 -6.954 562 H GLY 68 H GLY 68 8.038 12.744 -8.069 563 HA2 GLY 68 2HA GLY 68 8.628 13.843 -5.360 564 HA3 GLY 68 3HA GLY 68 9.830 13.200 -6.474 565 H SER 69 H SER 69 8.262 15.997 -5.431 566 HA SER 69 HA SER 69 8.327 17.599 -7.799 567 HB2 SER 69 2HB SER 69 8.287 18.456 -4.867 568 HB3 SER 69 3HB SER 69 7.933 19.503 -6.240 569 HG SER 69 HG SER 69 6.479 17.122 -5.943 570 H LEU 70 H LEU 70 10.000 18.681 -8.698 571 HA LEU 70 HA LEU 70 12.695 18.411 -7.754 572 HB2 LEU 70 2HB LEU 70 12.135 18.529 -10.170 573 HB3 LEU 70 3HB LEU 70 11.549 20.171 -9.961 574 HG LEU 70 HG LEU 70 13.883 20.900 -9.357 575 HD11 LEU 70 1HD1 LEU 70 14.698 18.075 -10.106 576 HD12 LEU 70 2HD1 LEU 70 14.766 18.787 -8.493 577 HD13 LEU 70 3HD1 LEU 70 15.796 19.420 -9.774 578 HD21 LEU 70 3HD2 LEU 70 13.064 21.154 -11.649 579 HD22 LEU 70 1HD2 LEU 70 13.642 19.535 -12.056 580 HD23 LEU 70 2HD2 LEU 70 14.792 20.809 -11.635 581 H GLU 71 H GLU 71 12.704 19.304 -5.704 582 HA GLU 71 HA GLU 71 11.843 22.007 -5.113 583 HB2 GLU 71 2HB GLU 71 13.413 20.023 -3.402 584 HB3 GLU 71 3HB GLU 71 12.665 21.516 -2.826 585 HG2 GLU 71 2HG GLU 71 10.443 20.625 -3.277 586 HG3 GLU 71 3HG GLU 71 11.140 19.169 -3.995 587 H HIS 72 H HIS 72 13.125 23.562 -6.076 588 HA HIS 72 HA HIS 72 16.009 23.400 -6.148 589 HB2 HIS 72 2HB HIS 72 15.970 25.671 -7.070 590 HB3 HIS 72 3HB HIS 72 14.760 24.689 -7.880 591 HD1 HIS 72 HD1 HIS 72 12.227 25.207 -7.270 592 HD2 HIS 72 HD2 HIS 72 14.988 27.950 -5.807 593 HE1 HIS 72 HE1 HIS 72 10.892 27.221 -6.595 594 HE2 HIS 72 HE2 HIS 72 12.562 28.772 -5.539 595 H HIS 73 H HIS 73 17.453 24.202 -4.680 596 HA HIS 73 HA HIS 73 16.551 25.138 -2.100 597 HB2 HIS 73 2HB HIS 73 18.565 23.679 -2.298 598 HB3 HIS 73 3HB HIS 73 19.392 24.937 -3.214 599 HD1 HIS 73 HD1 HIS 73 20.460 26.837 -1.897 600 HD2 HIS 73 HD2 HIS 73 18.177 24.313 0.488 601 HE1 HIS 73 HE1 HIS 73 20.894 27.558 0.461 602 HE2 HIS 73 HE2 HIS 73 19.540 25.995 1.886 603 H HIS 74 H HIS 74 16.461 27.221 -1.420 604 HA HIS 74 HA HIS 74 17.347 29.408 -3.212 605 HB2 HIS 74 2HB HIS 74 14.870 29.261 -2.689 606 HB3 HIS 74 3HB HIS 74 15.250 29.510 -0.992 607 HD1 HIS 74 HD1 HIS 74 14.655 31.289 -4.149 608 HD2 HIS 74 HD2 HIS 74 16.277 32.197 -0.428 609 HE1 HIS 74 HE1 HIS 74 14.670 33.794 -4.004 610 HE2 HIS 74 HE2 HIS 74 15.783 34.310 -1.816 611 H HIS 75 H HIS 75 19.122 30.442 -2.514 612 HA HIS 75 HA HIS 75 19.794 30.518 0.374 613 HB2 HIS 75 2HB HIS 75 21.442 29.323 -1.111 614 HB3 HIS 75 3HB HIS 75 21.665 30.805 -2.030 615 HD1 HIS 75 HD1 HIS 75 23.389 32.440 -1.148 616 HD2 HIS 75 HD2 HIS 75 22.436 29.492 1.624 617 HE1 HIS 75 HE1 HIS 75 25.014 32.728 0.741 618 HE2 HIS 75 HE2 HIS 75 24.457 30.895 2.372 619 H HIS 76 H HIS 76 20.544 32.502 1.218 620 HA HIS 76 HA HIS 76 20.658 34.892 -0.473 621 HB2 HIS 76 2HB HIS 76 18.351 34.975 0.351 622 HB3 HIS 76 3HB HIS 76 18.879 34.678 2.003 623 HD1 HIS 76 HD1 HIS 76 19.593 36.720 3.385 624 HD2 HIS 76 HD2 HIS 76 18.988 37.630 -0.632 625 HE1 HIS 76 HE1 HIS 76 19.660 39.228 3.229 626 HE2 HIS 76 HE2 HIS 76 19.490 39.729 0.776 627 H HIS 77 H HIS 77 20.973 33.480 2.759 628 HA HIS 77 HA HIS 77 22.441 33.629 4.449 629 HB2 HIS 77 2HB HIS 77 24.310 33.548 2.832 630 HB3 HIS 77 3HB HIS 77 24.192 35.282 2.576 631 HD1 HIS 77 HD1 HIS 77 25.370 32.735 5.066 632 HD2 HIS 77 HD2 HIS 77 25.494 36.847 4.514 633 HE1 HIS 77 HE1 HIS 77 27.021 33.593 6.744 634 HE2 HIS 77 HE2 HIS 77 27.243 36.043 6.231 Start of MODEL 6 1 H1 MET 1 1H MET 1 -0.267 14.380 -5.157 2 H2 MET 1 2H MET 1 0.692 14.423 -3.771 3 H3 MET 1 3H MET 1 -0.987 14.573 -3.642 4 HA MET 1 HA MET 1 -0.246 12.404 -2.984 5 HB2 MET 1 2HB MET 1 -1.912 12.589 -5.522 6 HB3 MET 1 3HB MET 1 -1.687 11.064 -4.668 7 HG2 MET 1 2HG MET 1 -3.812 12.117 -4.080 8 HG3 MET 1 3HG MET 1 -2.755 12.000 -2.671 9 HE1 MET 1 3HE MET 1 -4.709 15.336 -1.988 10 HE2 MET 1 1HE MET 1 -4.271 13.750 -1.351 11 HE3 MET 1 2HE MET 1 -5.350 13.877 -2.742 12 H VAL 2 H VAL 2 1.241 10.859 -3.190 13 HA VAL 2 HA VAL 2 2.953 10.740 -5.590 14 HB VAL 2 HB VAL 2 3.338 9.481 -2.818 15 HG11 VAL 2 1HG1 VAL 2 5.652 8.956 -3.539 16 HG12 VAL 2 2HG1 VAL 2 5.287 9.550 -5.162 17 HG13 VAL 2 3HG1 VAL 2 4.463 8.118 -4.539 18 HG21 VAL 2 3HG2 VAL 2 5.093 11.182 -2.492 19 HG22 VAL 2 1HG2 VAL 2 3.524 11.939 -2.779 20 HG23 VAL 2 2HG2 VAL 2 4.727 11.881 -4.072 21 H ASP 3 H ASP 3 2.924 8.979 -6.911 22 HA ASP 3 HA ASP 3 0.705 7.097 -6.691 23 HB2 ASP 3 2HB ASP 3 2.804 7.583 -8.850 24 HB3 ASP 3 3HB ASP 3 1.657 6.253 -8.946 25 H LEU 4 H LEU 4 1.080 5.591 -5.171 26 HA LEU 4 HA LEU 4 3.556 3.985 -5.228 27 HB2 LEU 4 2HB LEU 4 1.253 3.986 -3.219 28 HB3 LEU 4 3HB LEU 4 2.722 3.029 -3.087 29 HG LEU 4 HG LEU 4 2.482 6.057 -2.853 30 HD11 LEU 4 1HD1 LEU 4 3.294 5.710 -0.561 31 HD12 LEU 4 2HD1 LEU 4 3.300 3.962 -0.816 32 HD13 LEU 4 3HD1 LEU 4 1.780 4.861 -0.852 33 HD21 LEU 4 3HD2 LEU 4 5.008 4.379 -2.809 34 HD22 LEU 4 1HD2 LEU 4 4.900 6.099 -2.414 35 HD23 LEU 4 2HD2 LEU 4 4.542 5.549 -4.047 36 H LYS 5 H LYS 5 3.416 2.386 -6.706 37 HA LYS 5 HA LYS 5 0.990 0.679 -6.786 38 HB2 LYS 5 2HB LYS 5 3.138 1.063 -8.925 39 HB3 LYS 5 3HB LYS 5 1.850 -0.138 -9.006 40 HG2 LYS 5 2HG LYS 5 0.193 1.787 -8.879 41 HG3 LYS 5 3HG LYS 5 1.564 2.877 -9.065 42 HD2 LYS 5 2HD LYS 5 0.571 2.633 -11.226 43 HD3 LYS 5 3HD LYS 5 2.078 1.718 -11.268 44 HE2 LYS 5 2HE LYS 5 -0.577 0.383 -10.676 45 HE3 LYS 5 3HE LYS 5 -0.032 0.660 -12.325 46 HZ1 LYS 5 3HZ LYS 5 1.440 -0.930 -10.292 47 HZ2 LYS 5 1HZ LYS 5 1.908 -0.685 -11.895 48 HZ3 LYS 5 2HZ LYS 5 0.510 -1.564 -11.546 49 H ILE 6 H ILE 6 1.247 -1.068 -5.607 50 HA ILE 6 HA ILE 6 3.959 -2.069 -4.968 51 HB ILE 6 HB ILE 6 1.359 -2.407 -3.388 52 HG12 ILE 6 2HG1 ILE 6 2.762 -1.134 -1.575 53 HG13 ILE 6 3HG1 ILE 6 3.802 -0.653 -2.906 54 HG21 ILE 6 1HG2 ILE 6 2.769 -4.405 -3.174 55 HG22 ILE 6 2HG2 ILE 6 2.724 -3.514 -1.660 56 HG23 ILE 6 3HG2 ILE 6 4.146 -3.406 -2.697 57 HD11 ILE 6 3HD1 ILE 6 2.220 1.082 -2.314 58 HD12 ILE 6 1HD1 ILE 6 0.869 -0.006 -2.627 59 HD13 ILE 6 2HD1 ILE 6 1.920 0.503 -3.951 60 H ASP 7 H ASP 7 4.502 -4.048 -5.673 61 HA ASP 7 HA ASP 7 3.043 -5.988 -7.012 62 HB2 ASP 7 2HB ASP 7 5.417 -6.183 -6.958 63 HB3 ASP 7 3HB ASP 7 5.494 -6.028 -5.212 64 H VAL 8 H VAL 8 1.349 -7.307 -6.373 65 HA VAL 8 HA VAL 8 1.438 -8.477 -3.668 66 HB VAL 8 HB VAL 8 -1.129 -8.505 -3.582 67 HG11 VAL 8 1HG1 VAL 8 0.192 -7.132 -2.068 68 HG12 VAL 8 2HG1 VAL 8 -1.292 -6.299 -2.526 69 HG13 VAL 8 3HG1 VAL 8 0.246 -5.822 -3.252 70 HG21 VAL 8 3HG2 VAL 8 -2.348 -6.744 -4.784 71 HG22 VAL 8 1HG2 VAL 8 -1.571 -7.858 -5.912 72 HG23 VAL 8 2HG2 VAL 8 -0.866 -6.265 -5.621 73 H SER 9 H SER 9 0.963 -10.551 -3.535 74 HA SER 9 HA SER 9 0.666 -12.110 -6.011 75 HB2 SER 9 2HB SER 9 1.291 -13.036 -3.173 76 HB3 SER 9 3HB SER 9 1.457 -13.994 -4.647 77 HG SER 9 HG SER 9 2.821 -11.692 -4.896 78 H ASP 10 H ASP 10 -0.934 -11.545 -2.915 79 HA ASP 10 HA ASP 10 -3.157 -13.367 -3.663 80 HB2 ASP 10 2HB ASP 10 -1.832 -14.334 -1.841 81 HB3 ASP 10 3HB ASP 10 -1.943 -12.843 -0.915 82 H ASP 11 H ASP 11 -5.252 -12.824 -2.706 83 HA ASP 11 HA ASP 11 -5.870 -10.038 -3.305 84 HB2 ASP 11 2HB ASP 11 -7.730 -12.375 -2.646 85 HB3 ASP 11 3HB ASP 11 -8.253 -10.792 -3.213 86 H GLU 12 H GLU 12 -6.187 -12.310 -0.594 87 HA GLU 12 HA GLU 12 -7.513 -10.537 1.216 88 HB2 GLU 12 2HB GLU 12 -7.603 -13.026 1.426 89 HB3 GLU 12 3HB GLU 12 -5.885 -13.051 1.801 90 HG2 GLU 12 2HG GLU 12 -7.240 -13.298 3.827 91 HG3 GLU 12 3HG GLU 12 -6.280 -11.819 3.877 92 H GLU 13 H GLU 13 -4.161 -11.612 0.847 93 HA GLU 13 HA GLU 13 -2.745 -10.075 2.653 94 HB2 GLU 13 2HB GLU 13 -1.654 -11.771 1.360 95 HB3 GLU 13 3HB GLU 13 -2.145 -11.035 -0.162 96 HG2 GLU 13 2HG GLU 13 -0.587 -9.148 0.274 97 HG3 GLU 13 3HG GLU 13 -0.065 -9.944 1.760 98 H ALA 14 H ALA 14 -3.795 -9.207 -0.627 99 HA ALA 14 HA ALA 14 -2.739 -6.605 -0.748 100 HB1 ALA 14 3HB ALA 14 -4.269 -6.281 -2.638 101 HB2 ALA 14 1HB ALA 14 -5.158 -7.735 -2.182 102 HB3 ALA 14 2HB ALA 14 -3.482 -7.859 -2.725 103 H GLU 15 H GLU 15 -5.948 -7.774 0.319 104 HA GLU 15 HA GLU 15 -7.031 -5.240 1.016 105 HB2 GLU 15 2HB GLU 15 -7.796 -8.055 1.895 106 HB3 GLU 15 3HB GLU 15 -8.741 -6.616 2.290 107 HG2 GLU 15 2HG GLU 15 -9.045 -6.179 -0.144 108 HG3 GLU 15 3HG GLU 15 -8.158 -7.663 -0.498 109 H LYS 16 H LYS 16 -4.874 -7.371 2.728 110 HA LYS 16 HA LYS 16 -5.167 -6.067 5.296 111 HB2 LYS 16 2HB LYS 16 -3.040 -7.974 4.240 112 HB3 LYS 16 3HB LYS 16 -3.077 -7.359 5.893 113 HG2 LYS 16 2HG LYS 16 -5.218 -8.468 6.302 114 HG3 LYS 16 3HG LYS 16 -5.283 -9.015 4.621 115 HD2 LYS 16 2HD LYS 16 -3.217 -10.362 4.995 116 HD3 LYS 16 3HD LYS 16 -3.189 -9.832 6.683 117 HE2 LYS 16 2HE LYS 16 -5.347 -10.939 7.078 118 HE3 LYS 16 3HE LYS 16 -5.423 -11.423 5.382 119 HZ1 LYS 16 3HZ LYS 16 -4.667 -13.235 6.763 120 HZ2 LYS 16 1HZ LYS 16 -3.383 -12.305 7.348 121 HZ3 LYS 16 2HZ LYS 16 -3.429 -12.752 5.721 122 H ILE 17 H ILE 17 -3.236 -5.589 2.394 123 HA ILE 17 HA ILE 17 -1.468 -3.589 3.434 124 HB ILE 17 HB ILE 17 -2.524 -3.858 0.577 125 HG12 ILE 17 2HG1 ILE 17 -1.457 -5.946 1.137 126 HG13 ILE 17 3HG1 ILE 17 -0.349 -5.059 0.103 127 HG21 ILE 17 1HG2 ILE 17 -1.541 -1.657 0.942 128 HG22 ILE 17 2HG2 ILE 17 -0.496 -2.614 -0.108 129 HG23 ILE 17 3HG2 ILE 17 -0.069 -2.385 1.590 130 HD11 ILE 17 3HD1 ILE 17 0.827 -6.172 1.879 131 HD12 ILE 17 1HD1 ILE 17 -0.152 -5.363 3.098 132 HD13 ILE 17 2HD1 ILE 17 0.958 -4.429 2.091 133 H ILE 18 H ILE 18 -4.614 -3.513 1.770 134 HA ILE 18 HA ILE 18 -5.161 -0.753 1.804 135 HB ILE 18 HB ILE 18 -7.144 -3.085 1.957 136 HG12 ILE 18 2HG1 ILE 18 -6.091 -1.617 -0.517 137 HG13 ILE 18 3HG1 ILE 18 -5.656 -3.247 -0.034 138 HG21 ILE 18 1HG2 ILE 18 -7.669 -0.219 1.094 139 HG22 ILE 18 2HG2 ILE 18 -8.220 -0.970 2.593 140 HG23 ILE 18 3HG2 ILE 18 -8.833 -1.547 1.045 141 HD11 ILE 18 3HD1 ILE 18 -7.236 -3.306 -1.848 142 HD12 ILE 18 1HD1 ILE 18 -8.388 -2.327 -0.937 143 HD13 ILE 18 2HD1 ILE 18 -7.987 -3.959 -0.394 144 H ARG 19 H ARG 19 -5.664 -3.299 4.199 145 HA ARG 19 HA ARG 19 -7.161 -1.905 6.144 146 HB2 ARG 19 2HB ARG 19 -6.792 -4.431 6.005 147 HB3 ARG 19 3HB ARG 19 -5.175 -4.172 6.635 148 HG2 ARG 19 2HG ARG 19 -6.333 -4.789 8.553 149 HG3 ARG 19 3HG ARG 19 -6.405 -3.029 8.659 150 HD2 ARG 19 2HD ARG 19 -8.605 -4.864 7.642 151 HD3 ARG 19 3HD ARG 19 -8.567 -4.063 9.211 152 HE ARG 19 HE ARG 19 -8.539 -1.929 7.762 153 HH11 ARG 19 1HH1 ARG 19 -10.359 -4.851 6.969 154 HH12 ARG 19 2HH1 ARG 19 -11.584 -3.984 6.097 155 HH21 ARG 19 1HH2 ARG 19 -10.203 -0.818 6.653 156 HH22 ARG 19 2HH2 ARG 19 -11.494 -1.715 5.925 157 H GLU 20 H GLU 20 -3.649 -2.433 5.769 158 HA GLU 20 HA GLU 20 -2.745 -1.159 8.097 159 HB2 GLU 20 2HB GLU 20 -1.482 -1.904 5.461 160 HB3 GLU 20 3HB GLU 20 -0.575 -0.844 6.535 161 HG2 GLU 20 2HG GLU 20 -1.577 -3.623 7.202 162 HG3 GLU 20 3HG GLU 20 0.086 -3.166 6.836 163 H ILE 21 H ILE 21 -3.118 0.143 4.806 164 HA ILE 21 HA ILE 21 -1.921 2.661 5.415 165 HB ILE 21 HB ILE 21 -3.713 2.023 3.035 166 HG12 ILE 21 2HG1 ILE 21 -1.929 0.358 3.053 167 HG13 ILE 21 3HG1 ILE 21 -1.591 1.518 1.783 168 HG21 ILE 21 1HG2 ILE 21 -3.307 4.416 3.334 169 HG22 ILE 21 2HG2 ILE 21 -2.449 3.826 1.913 170 HG23 ILE 21 3HG2 ILE 21 -1.564 4.141 3.405 171 HD11 ILE 21 3HD1 ILE 21 0.095 2.579 3.233 172 HD12 ILE 21 1HD1 ILE 21 0.423 0.873 2.929 173 HD13 ILE 21 2HD1 ILE 21 -0.241 1.375 4.481 174 H ARG 22 H ARG 22 -5.302 1.552 5.125 175 HA ARG 22 HA ARG 22 -6.423 4.190 5.531 176 HB2 ARG 22 2HB ARG 22 -7.741 1.451 5.539 177 HB3 ARG 22 3HB ARG 22 -8.620 2.974 5.672 178 HG2 ARG 22 2HG ARG 22 -7.694 3.623 3.415 179 HG3 ARG 22 3HG ARG 22 -7.004 1.998 3.289 180 HD2 ARG 22 2HD ARG 22 -9.307 1.058 3.565 181 HD3 ARG 22 3HD ARG 22 -9.948 2.703 3.562 182 HE ARG 22 HE ARG 22 -8.391 1.822 1.243 183 HH11 ARG 22 1HH1 ARG 22 -11.574 2.563 2.580 184 HH12 ARG 22 2HH1 ARG 22 -12.338 2.628 1.024 185 HH21 ARG 22 1HH2 ARG 22 -9.462 1.775 -0.774 186 HH22 ARG 22 2HH2 ARG 22 -11.144 2.183 -0.857 187 H GLU 23 H GLU 23 -5.155 1.820 7.663 188 HA GLU 23 HA GLU 23 -6.854 2.244 9.943 189 HB2 GLU 23 2HB GLU 23 -5.394 0.201 9.552 190 HB3 GLU 23 3HB GLU 23 -3.986 1.200 9.868 191 HG2 GLU 23 2HG GLU 23 -4.450 -0.031 11.857 192 HG3 GLU 23 3HG GLU 23 -4.907 1.644 12.166 193 H GLN 24 H GLN 24 -3.685 3.372 8.906 194 HA GLN 24 HA GLN 24 -3.309 5.172 11.177 195 HB2 GLN 24 2HB GLN 24 -1.562 4.576 8.748 196 HB3 GLN 24 3HB GLN 24 -1.064 5.540 10.136 197 HG2 GLN 24 2HG GLN 24 -1.054 3.632 11.584 198 HG3 GLN 24 3HG GLN 24 -1.909 2.636 10.405 199 HE21 GLN 24 1HE2 GLN 24 -0.765 1.705 8.710 200 HE22 GLN 24 2HE2 GLN 24 0.958 1.723 8.607 201 H TRP 25 H TRP 25 -3.622 5.382 7.618 202 HA TRP 25 HA TRP 25 -4.370 8.252 7.813 203 HB2 TRP 25 2HB TRP 25 -3.291 6.855 5.319 204 HB3 TRP 25 3HB TRP 25 -3.502 8.584 5.572 205 HD1 TRP 25 HD1 TRP 25 -1.541 9.861 6.946 206 HE1 TRP 25 HE1 TRP 25 0.845 9.155 7.592 207 HE3 TRP 25 HE3 TRP 25 -1.848 4.849 5.939 208 HZ2 TRP 25 HZ2 TRP 25 2.393 6.799 7.669 209 HZ3 TRP 25 HZ3 TRP 25 0.126 3.434 6.322 210 HH2 TRP 25 HH2 TRP 25 2.207 4.396 7.168 211 HA PRO 26 HA PRO 26 -8.221 5.967 6.493 212 HB2 PRO 26 2HB PRO 26 -10.028 7.767 7.514 213 HB3 PRO 26 3HB PRO 26 -9.216 6.556 8.529 214 HG2 PRO 26 2HG PRO 26 -8.501 9.456 8.139 215 HG3 PRO 26 3HG PRO 26 -8.638 8.528 9.652 216 HD2 PRO 26 2HD PRO 26 -6.232 8.996 8.497 217 HD3 PRO 26 3HD PRO 26 -6.568 7.478 9.360 218 H LYS 27 H LYS 27 -6.993 9.117 5.852 219 HA LYS 27 HA LYS 27 -8.952 9.912 3.871 220 HB2 LYS 27 2HB LYS 27 -6.271 11.217 4.500 221 HB3 LYS 27 3HB LYS 27 -7.672 11.965 3.740 222 HG2 LYS 27 2HG LYS 27 -7.472 11.051 6.634 223 HG3 LYS 27 3HG LYS 27 -7.391 12.719 6.064 224 HD2 LYS 27 2HD LYS 27 -9.816 10.890 5.777 225 HD3 LYS 27 3HD LYS 27 -9.613 12.115 7.031 226 HE2 LYS 27 2HE LYS 27 -9.583 13.884 5.339 227 HE3 LYS 27 3HE LYS 27 -9.698 12.684 4.049 228 HZ1 LYS 27 3HZ LYS 27 -11.858 13.639 4.495 229 HZ2 LYS 27 1HZ LYS 27 -11.762 13.210 6.131 230 HZ3 LYS 27 2HZ LYS 27 -11.860 12.013 4.944 231 H ALA 28 H ALA 28 -6.079 8.052 3.901 232 HA ALA 28 HA ALA 28 -4.952 8.641 1.380 233 HB1 ALA 28 3HB ALA 28 -3.706 7.519 3.161 234 HB2 ALA 28 1HB ALA 28 -3.680 6.556 1.683 235 HB3 ALA 28 2HB ALA 28 -4.742 6.097 3.022 236 H THR 29 H THR 29 -5.785 8.310 -0.528 237 HA THR 29 HA THR 29 -8.027 6.643 -1.134 238 HB THR 29 HB THR 29 -6.070 8.088 -2.978 239 HG1 THR 29 HG1 THR 29 -8.710 8.846 -2.204 240 HG21 THR 29 3HG2 THR 29 -8.809 6.947 -3.658 241 HG22 THR 29 1HG2 THR 29 -7.263 6.316 -4.237 242 HG23 THR 29 2HG2 THR 29 -7.798 7.924 -4.722 243 H VAL 30 H VAL 30 -7.742 4.468 -0.928 244 HA VAL 30 HA VAL 30 -5.476 3.171 -2.340 245 HB VAL 30 HB VAL 30 -7.203 1.767 -0.245 246 HG11 VAL 30 1HG1 VAL 30 -5.874 0.322 -1.735 247 HG12 VAL 30 2HG1 VAL 30 -5.270 0.234 -0.080 248 HG13 VAL 30 3HG1 VAL 30 -4.398 1.184 -1.287 249 HG21 VAL 30 3HG2 VAL 30 -6.216 3.739 0.872 250 HG22 VAL 30 1HG2 VAL 30 -4.608 3.244 0.343 251 HG23 VAL 30 2HG2 VAL 30 -5.512 2.239 1.477 252 H THR 31 H THR 31 -6.205 2.758 -4.293 253 HA THR 31 HA THR 31 -8.901 1.647 -4.800 254 HB THR 31 HB THR 31 -6.755 2.519 -6.783 255 HG1 THR 31 HG1 THR 31 -7.705 4.222 -5.544 256 HG21 THR 31 3HG2 THR 31 -8.545 2.441 -8.489 257 HG22 THR 31 1HG2 THR 31 -9.668 1.785 -7.295 258 HG23 THR 31 2HG2 THR 31 -8.264 0.841 -7.801 259 H ARG 32 H ARG 32 -9.210 -0.474 -5.415 260 HA ARG 32 HA ARG 32 -6.988 -2.343 -5.176 261 HB2 ARG 32 2HB ARG 32 -9.143 -2.850 -4.060 262 HB3 ARG 32 3HB ARG 32 -9.982 -2.777 -5.605 263 HG2 ARG 32 2HG ARG 32 -8.694 -4.764 -6.372 264 HG3 ARG 32 3HG ARG 32 -7.910 -4.850 -4.793 265 HD2 ARG 32 2HD ARG 32 -10.119 -5.219 -3.724 266 HD3 ARG 32 3HD ARG 32 -10.898 -5.127 -5.308 267 HE ARG 32 HE ARG 32 -9.154 -7.101 -5.728 268 HH11 ARG 32 1HH1 ARG 32 -11.357 -6.641 -3.011 269 HH12 ARG 32 2HH1 ARG 32 -11.541 -8.341 -2.716 270 HH21 ARG 32 1HH2 ARG 32 -9.426 -9.332 -5.353 271 HH22 ARG 32 2HH2 ARG 32 -10.445 -9.870 -4.053 272 H THR 33 H THR 33 -6.009 -3.247 -6.887 273 HA THR 33 HA THR 33 -7.167 -3.137 -9.597 274 HB THR 33 HB THR 33 -4.803 -2.564 -10.462 275 HG1 THR 33 HG1 THR 33 -4.063 -2.879 -8.046 276 HG21 THR 33 3HG2 THR 33 -6.159 -0.378 -8.820 277 HG22 THR 33 1HG2 THR 33 -6.589 -0.832 -10.471 278 HG23 THR 33 2HG2 THR 33 -5.012 -0.115 -10.135 279 H ASN 34 H ASN 34 -6.940 -5.195 -10.584 280 HA ASN 34 HA ASN 34 -6.074 -7.387 -9.113 281 HB2 ASN 34 2HB ASN 34 -7.765 -7.524 -10.869 282 HB3 ASN 34 3HB ASN 34 -6.614 -7.010 -12.091 283 HD21 ASN 34 1HD2 ASN 34 -5.166 -8.501 -12.928 284 HD22 ASN 34 2HD2 ASN 34 -5.325 -10.202 -12.665 285 H GLY 35 H GLY 35 -3.983 -7.524 -8.428 286 HA2 GLY 35 2HA GLY 35 -1.893 -8.650 -8.925 287 HA3 GLY 35 3HA GLY 35 -1.832 -7.808 -10.465 288 H ASP 36 H ASP 36 -2.888 -5.467 -8.465 289 HA ASP 36 HA ASP 36 -0.229 -4.657 -7.445 290 HB2 ASP 36 2HB ASP 36 -2.001 -2.837 -9.155 291 HB3 ASP 36 3HB ASP 36 -0.478 -2.390 -8.396 292 H ILE 37 H ILE 37 -0.337 -2.931 -5.857 293 HA ILE 37 HA ILE 37 -3.019 -2.226 -4.815 294 HB ILE 37 HB ILE 37 -0.273 -1.999 -3.492 295 HG12 ILE 37 2HG1 ILE 37 -1.333 -4.233 -3.369 296 HG13 ILE 37 3HG1 ILE 37 -1.217 -3.500 -1.775 297 HG21 ILE 37 1HG2 ILE 37 -1.376 -0.987 -1.518 298 HG22 ILE 37 2HG2 ILE 37 -2.894 -0.885 -2.415 299 HG23 ILE 37 3HG2 ILE 37 -1.494 0.053 -2.939 300 HD11 ILE 37 3HD1 ILE 37 -3.695 -3.709 -3.485 301 HD12 ILE 37 1HD1 ILE 37 -3.612 -2.896 -1.917 302 HD13 ILE 37 2HD1 ILE 37 -3.316 -4.627 -2.033 303 H LYS 38 H LYS 38 -3.693 -0.576 -6.008 304 HA LYS 38 HA LYS 38 -1.949 1.619 -6.779 305 HB2 LYS 38 2HB LYS 38 -3.589 1.015 -8.421 306 HB3 LYS 38 3HB LYS 38 -4.889 0.970 -7.241 307 HG2 LYS 38 2HG LYS 38 -4.951 2.911 -8.839 308 HG3 LYS 38 3HG LYS 38 -5.009 3.344 -7.129 309 HD2 LYS 38 2HD LYS 38 -2.585 3.920 -7.208 310 HD3 LYS 38 3HD LYS 38 -2.553 3.517 -8.930 311 HE2 LYS 38 2HE LYS 38 -3.919 5.362 -9.500 312 HE3 LYS 38 3HE LYS 38 -4.484 5.576 -7.845 313 HZ1 LYS 38 3HZ LYS 38 -2.875 7.272 -8.563 314 HZ2 LYS 38 1HZ LYS 38 -1.689 6.083 -8.727 315 HZ3 LYS 38 2HZ LYS 38 -2.351 6.417 -7.208 316 H LEU 39 H LEU 39 -1.470 3.085 -5.355 317 HA LEU 39 HA LEU 39 -3.349 3.977 -3.271 318 HB2 LEU 39 2HB LEU 39 -1.918 2.340 -2.177 319 HB3 LEU 39 3HB LEU 39 -0.475 3.032 -2.892 320 HG LEU 39 HG LEU 39 -0.653 5.018 -1.451 321 HD11 LEU 39 1HD1 LEU 39 -2.323 5.210 0.324 322 HD12 LEU 39 2HD1 LEU 39 -3.147 3.769 -0.280 323 HD13 LEU 39 3HD1 LEU 39 -3.069 5.228 -1.273 324 HD21 LEU 39 3HD2 LEU 39 0.584 3.088 -0.594 325 HD22 LEU 39 1HD2 LEU 39 -0.887 2.450 0.151 326 HD23 LEU 39 2HD2 LEU 39 -0.191 3.972 0.718 327 H ASP 40 H ASP 40 -3.239 6.115 -2.857 328 HA ASP 40 HA ASP 40 -1.141 7.768 -4.133 329 HB2 ASP 40 2HB ASP 40 -4.057 8.440 -3.530 330 HB3 ASP 40 3HB ASP 40 -2.862 9.633 -4.030 331 H ALA 41 H ALA 41 0.270 8.243 -2.646 332 HA ALA 41 HA ALA 41 -0.277 8.279 0.189 333 HB1 ALA 41 3HB ALA 41 2.260 8.943 -1.355 334 HB2 ALA 41 1HB ALA 41 1.838 7.376 -0.666 335 HB3 ALA 41 2HB ALA 41 2.150 8.746 0.397 336 H GLN 42 H GLN 42 -0.329 10.057 1.542 337 HA GLN 42 HA GLN 42 -1.344 12.486 0.675 338 HB2 GLN 42 2HB GLN 42 -1.615 11.671 2.964 339 HB3 GLN 42 3HB GLN 42 0.116 11.804 3.263 340 HG2 GLN 42 2HG GLN 42 0.009 14.220 3.174 341 HG3 GLN 42 3HG GLN 42 -1.678 14.167 2.657 342 HE21 GLN 42 1HE2 GLN 42 0.506 13.722 5.348 343 HE22 GLN 42 2HE2 GLN 42 -0.696 13.775 6.587 344 H THR 43 H THR 43 1.986 11.837 1.798 345 HA THR 43 HA THR 43 3.065 13.801 -0.128 346 HB THR 43 HB THR 43 4.693 14.657 1.490 347 HG1 THR 43 HG1 THR 43 3.968 13.903 3.849 348 HG21 THR 43 3HG2 THR 43 3.251 15.890 3.068 349 HG22 THR 43 1HG2 THR 43 1.906 14.802 2.708 350 HG23 THR 43 2HG2 THR 43 2.541 15.874 1.454 351 H GLU 44 H GLU 44 5.616 13.495 -0.095 352 HA GLU 44 HA GLU 44 6.341 10.844 -0.802 353 HB2 GLU 44 2HB GLU 44 8.169 13.153 -0.000 354 HB3 GLU 44 3HB GLU 44 8.652 11.719 -0.904 355 HG2 GLU 44 2HG GLU 44 7.394 12.409 -2.836 356 HG3 GLU 44 3HG GLU 44 6.611 13.715 -1.942 357 H LYS 45 H LYS 45 6.425 12.668 2.192 358 HA LYS 45 HA LYS 45 8.169 10.919 3.644 359 HB2 LYS 45 2HB LYS 45 6.490 13.322 4.349 360 HB3 LYS 45 3HB LYS 45 6.993 12.268 5.658 361 HG2 LYS 45 2HG LYS 45 8.527 14.109 5.511 362 HG3 LYS 45 3HG LYS 45 9.367 12.632 5.057 363 HD2 LYS 45 2HD LYS 45 8.232 14.457 2.924 364 HD3 LYS 45 3HD LYS 45 9.755 14.861 3.707 365 HE2 LYS 45 2HE LYS 45 9.183 12.333 2.117 366 HE3 LYS 45 3HE LYS 45 10.147 13.705 1.587 367 HZ1 LYS 45 3HZ LYS 45 11.683 13.219 3.452 368 HZ2 LYS 45 1HZ LYS 45 11.598 11.976 2.314 369 HZ3 LYS 45 2HZ LYS 45 10.797 11.823 3.792 370 H GLU 46 H GLU 46 4.624 11.469 3.727 371 HA GLU 46 HA GLU 46 3.927 9.325 5.364 372 HB2 GLU 46 2HB GLU 46 2.438 10.896 3.261 373 HB3 GLU 46 3HB GLU 46 1.692 9.429 3.881 374 HG2 GLU 46 2HG GLU 46 0.898 11.427 5.070 375 HG3 GLU 46 3HG GLU 46 1.703 10.292 6.146 376 H ALA 47 H ALA 47 4.653 9.345 1.906 377 HA ALA 47 HA ALA 47 3.868 6.776 1.161 378 HB1 ALA 47 3HB ALA 47 6.277 8.318 0.141 379 HB2 ALA 47 1HB ALA 47 4.620 8.495 -0.445 380 HB3 ALA 47 2HB ALA 47 5.481 6.972 -0.680 381 H GLU 48 H GLU 48 6.699 7.830 2.957 382 HA GLU 48 HA GLU 48 8.270 5.470 2.672 383 HB2 GLU 48 2HB GLU 48 8.470 7.712 4.729 384 HB3 GLU 48 3HB GLU 48 9.701 6.476 4.453 385 HG2 GLU 48 2HG GLU 48 10.023 7.280 2.155 386 HG3 GLU 48 3HG GLU 48 8.758 8.483 2.383 387 H LYS 49 H LYS 49 5.867 6.476 5.111 388 HA LYS 49 HA LYS 49 6.411 4.127 6.796 389 HB2 LYS 49 2HB LYS 49 4.038 6.018 7.094 390 HB3 LYS 49 3HB LYS 49 4.615 4.844 8.261 391 HG2 LYS 49 2HG LYS 49 5.347 6.820 9.190 392 HG3 LYS 49 3HG LYS 49 6.783 6.309 8.298 393 HD2 LYS 49 2HD LYS 49 6.380 7.892 6.551 394 HD3 LYS 49 3HD LYS 49 4.732 8.200 7.103 395 HE2 LYS 49 2HE LYS 49 5.623 9.276 9.138 396 HE3 LYS 49 3HE LYS 49 7.271 8.985 8.566 397 HZ1 LYS 49 3HZ LYS 49 6.857 10.375 6.680 398 HZ2 LYS 49 1HZ LYS 49 6.470 11.231 8.084 399 HZ3 LYS 49 2HZ LYS 49 5.236 10.594 7.118 400 H MET 50 H MET 50 3.988 5.290 4.584 401 HA MET 50 HA MET 50 2.102 3.266 4.535 402 HB2 MET 50 2HB MET 50 3.076 4.985 2.232 403 HB3 MET 50 3HB MET 50 1.787 3.807 2.012 404 HG2 MET 50 2HG MET 50 0.460 4.944 3.747 405 HG3 MET 50 3HG MET 50 1.739 6.146 3.932 406 HE1 MET 50 3HE MET 50 -1.278 6.927 3.413 407 HE2 MET 50 1HE MET 50 -1.109 8.170 2.174 408 HE3 MET 50 2HE MET 50 0.010 8.129 3.537 409 H GLU 51 H GLU 51 4.927 3.337 2.312 410 HA GLU 51 HA GLU 51 4.694 0.708 1.354 411 HB2 GLU 51 2HB GLU 51 6.950 0.980 0.482 412 HB3 GLU 51 3HB GLU 51 6.044 2.472 0.264 413 HG2 GLU 51 2HG GLU 51 7.201 3.421 2.251 414 HG3 GLU 51 3HG GLU 51 8.158 1.946 2.376 415 H LYS 52 H LYS 52 6.132 1.913 4.280 416 HA LYS 52 HA LYS 52 7.625 -0.431 5.024 417 HB2 LYS 52 2HB LYS 52 8.072 1.924 5.835 418 HB3 LYS 52 3HB LYS 52 6.599 1.831 6.792 419 HG2 LYS 52 2HG LYS 52 7.587 -0.051 8.086 420 HG3 LYS 52 3HG LYS 52 9.073 0.107 7.141 421 HD2 LYS 52 2HD LYS 52 9.418 2.383 8.005 422 HD3 LYS 52 3HD LYS 52 7.886 2.310 8.882 423 HE2 LYS 52 2HE LYS 52 9.747 1.932 10.412 424 HE3 LYS 52 3HE LYS 52 8.788 0.459 10.267 425 HZ1 LYS 52 3HZ LYS 52 10.439 -0.411 8.720 426 HZ2 LYS 52 1HZ LYS 52 11.158 -0.010 10.199 427 HZ3 LYS 52 2HZ LYS 52 11.347 1.005 8.862 428 H ALA 53 H ALA 53 4.391 0.826 5.704 429 HA ALA 53 HA ALA 53 3.487 -1.148 7.523 430 HB1 ALA 53 3HB ALA 53 1.244 -0.235 7.101 431 HB2 ALA 53 1HB ALA 53 1.852 0.649 5.697 432 HB3 ALA 53 2HB ALA 53 2.420 1.063 7.316 433 H VAL 54 H VAL 54 3.358 -0.894 3.999 434 HA VAL 54 HA VAL 54 1.863 -3.155 3.310 435 HB VAL 54 HB VAL 54 4.345 -2.022 1.934 436 HG11 VAL 54 1HG1 VAL 54 2.234 -3.862 0.762 437 HG12 VAL 54 2HG1 VAL 54 3.898 -4.307 1.144 438 HG13 VAL 54 3HG1 VAL 54 3.576 -3.123 -0.120 439 HG21 VAL 54 3HG2 VAL 54 2.589 -0.337 2.130 440 HG22 VAL 54 1HG2 VAL 54 1.409 -1.438 1.423 441 HG23 VAL 54 2HG2 VAL 54 2.750 -0.837 0.447 442 H LYS 55 H LYS 55 5.334 -2.827 3.927 443 HA LYS 55 HA LYS 55 6.066 -5.510 3.563 444 HB2 LYS 55 2HB LYS 55 7.501 -3.221 4.929 445 HB3 LYS 55 3HB LYS 55 8.236 -4.816 4.741 446 HG2 LYS 55 2HG LYS 55 7.931 -4.624 2.264 447 HG3 LYS 55 3HG LYS 55 7.307 -2.986 2.497 448 HD2 LYS 55 2HD LYS 55 9.470 -2.276 3.439 449 HD3 LYS 55 3HD LYS 55 10.092 -3.924 3.303 450 HE2 LYS 55 2HE LYS 55 9.260 -2.155 0.972 451 HE3 LYS 55 3HE LYS 55 10.917 -2.482 1.475 452 HZ1 LYS 55 3HZ LYS 55 10.350 -3.883 -0.368 453 HZ2 LYS 55 1HZ LYS 55 8.977 -4.471 0.421 454 HZ3 LYS 55 2HZ LYS 55 10.513 -4.852 1.007 455 H LYS 56 H LYS 56 4.407 -4.218 6.283 456 HA LYS 56 HA LYS 56 5.209 -6.127 8.248 457 HB2 LYS 56 2HB LYS 56 2.472 -4.825 7.883 458 HB3 LYS 56 3HB LYS 56 2.942 -5.790 9.279 459 HG2 LYS 56 2HG LYS 56 4.806 -4.013 9.630 460 HG3 LYS 56 3HG LYS 56 3.877 -3.021 8.493 461 HD2 LYS 56 2HD LYS 56 1.851 -3.362 9.985 462 HD3 LYS 56 3HD LYS 56 2.906 -4.170 11.147 463 HE2 LYS 56 2HE LYS 56 2.609 -1.904 11.884 464 HE3 LYS 56 3HE LYS 56 4.255 -2.025 11.254 465 HZ1 LYS 56 3HZ LYS 56 3.139 -0.027 10.495 466 HZ2 LYS 56 1HZ LYS 56 1.915 -0.945 9.773 467 HZ3 LYS 56 2HZ LYS 56 3.502 -1.031 9.188 468 H VAL 57 H VAL 57 2.632 -6.130 5.803 469 HA VAL 57 HA VAL 57 1.662 -8.780 6.441 470 HB VAL 57 HB VAL 57 0.997 -6.978 4.063 471 HG11 VAL 57 1HG1 VAL 57 -0.533 -9.363 5.162 472 HG12 VAL 57 2HG1 VAL 57 0.349 -9.306 3.635 473 HG13 VAL 57 3HG1 VAL 57 -1.083 -8.301 3.860 474 HG21 VAL 57 3HG2 VAL 57 -0.989 -6.267 5.352 475 HG22 VAL 57 1HG2 VAL 57 0.508 -5.841 6.187 476 HG23 VAL 57 2HG2 VAL 57 -0.441 -7.226 6.730 477 H LYS 58 H LYS 58 4.005 -7.418 4.270 478 HA LYS 58 HA LYS 58 4.713 -9.953 3.126 479 HB2 LYS 58 2HB LYS 58 4.349 -9.326 0.736 480 HB3 LYS 58 3HB LYS 58 2.854 -9.512 1.642 481 HG2 LYS 58 2HG LYS 58 2.753 -6.994 1.845 482 HG3 LYS 58 3HG LYS 58 4.134 -6.906 0.758 483 HD2 LYS 58 2HD LYS 58 1.337 -7.915 0.150 484 HD3 LYS 58 3HD LYS 58 2.169 -6.535 -0.566 485 HE2 LYS 58 2HE LYS 58 2.876 -9.461 -0.989 486 HE3 LYS 58 3HE LYS 58 2.049 -8.404 -2.130 487 HZ1 LYS 58 3HZ LYS 58 4.840 -8.098 -1.182 488 HZ2 LYS 58 1HZ LYS 58 4.040 -7.030 -2.223 489 HZ3 LYS 58 2HZ LYS 58 4.354 -8.617 -2.716 490 HA PRO 59 HA PRO 59 8.311 -7.217 4.000 491 HB2 PRO 59 2HB PRO 59 10.209 -9.265 4.007 492 HB3 PRO 59 3HB PRO 59 9.172 -8.861 5.391 493 HG2 PRO 59 2HG PRO 59 8.797 -11.016 3.329 494 HG3 PRO 59 3HG PRO 59 8.608 -11.099 5.098 495 HD2 PRO 59 2HD PRO 59 6.461 -10.863 3.503 496 HD3 PRO 59 3HD PRO 59 6.527 -10.026 5.070 497 H ASN 60 H ASN 60 8.222 -9.612 1.378 498 HA ASN 60 HA ASN 60 10.492 -8.398 -0.035 499 HB2 ASN 60 2HB ASN 60 8.897 -10.948 -0.530 500 HB3 ASN 60 3HB ASN 60 10.202 -10.398 -1.577 501 HD21 ASN 60 1HD2 ASN 60 9.421 -11.607 1.618 502 HD22 ASN 60 2HD2 ASN 60 11.026 -12.068 2.040 503 H ALA 61 H ALA 61 7.680 -7.191 0.192 504 HA ALA 61 HA ALA 61 6.429 -7.070 -2.324 505 HB1 ALA 61 3HB ALA 61 5.362 -5.018 -1.480 506 HB2 ALA 61 1HB ALA 61 6.543 -4.924 -0.166 507 HB3 ALA 61 2HB ALA 61 5.400 -6.261 -0.233 508 H THR 62 H THR 62 7.412 -6.462 -4.204 509 HA THR 62 HA THR 62 9.436 -4.411 -4.362 510 HB THR 62 HB THR 62 7.783 -5.694 -6.594 511 HG1 THR 62 HG1 THR 62 9.113 -7.311 -6.407 512 HG21 THR 62 3HG2 THR 62 8.780 -3.567 -7.348 513 HG22 THR 62 1HG2 THR 62 9.605 -4.933 -8.102 514 HG23 THR 62 2HG2 THR 62 10.364 -4.078 -6.757 515 H ILE 63 H ILE 63 8.799 -2.464 -3.742 516 HA ILE 63 HA ILE 63 6.091 -1.440 -4.350 517 HB ILE 63 HB ILE 63 8.080 -0.542 -2.207 518 HG12 ILE 63 2HG1 ILE 63 5.413 -1.971 -1.824 519 HG13 ILE 63 3HG1 ILE 63 6.942 -2.828 -1.926 520 HG21 ILE 63 1HG2 ILE 63 6.195 0.848 -1.336 521 HG22 ILE 63 2HG2 ILE 63 5.243 0.431 -2.757 522 HG23 ILE 63 3HG2 ILE 63 6.729 1.366 -2.933 523 HD11 ILE 63 3HD1 ILE 63 6.267 -2.602 0.344 524 HD12 ILE 63 1HD1 ILE 63 6.136 -0.851 0.192 525 HD13 ILE 63 2HD1 ILE 63 7.714 -1.635 0.071 526 H ARG 64 H ARG 64 5.916 0.054 -5.808 527 HA ARG 64 HA ARG 64 8.342 1.296 -6.971 528 HB2 ARG 64 2HB ARG 64 5.653 0.646 -8.285 529 HB3 ARG 64 3HB ARG 64 7.044 1.372 -9.098 530 HG2 ARG 64 2HG ARG 64 8.360 -0.659 -8.774 531 HG3 ARG 64 3HG ARG 64 7.077 -1.385 -7.804 532 HD2 ARG 64 2HD ARG 64 5.596 -1.402 -9.783 533 HD3 ARG 64 3HD ARG 64 6.878 -0.675 -10.751 534 HE ARG 64 HE ARG 64 8.024 -2.697 -10.778 535 HH11 ARG 64 1HH1 ARG 64 5.115 -3.072 -8.804 536 HH12 ARG 64 2HH1 ARG 64 5.191 -4.806 -8.816 537 HH21 ARG 64 1HH2 ARG 64 8.087 -4.973 -10.786 538 HH22 ARG 64 2HH2 ARG 64 6.870 -5.874 -9.934 539 H LYS 65 H LYS 65 8.510 3.374 -6.515 540 HA LYS 65 HA LYS 65 6.128 4.950 -5.702 541 HB2 LYS 65 2HB LYS 65 7.531 4.506 -3.761 542 HB3 LYS 65 3HB LYS 65 8.975 5.025 -4.614 543 HG2 LYS 65 2HG LYS 65 8.318 7.324 -4.544 544 HG3 LYS 65 3HG LYS 65 6.679 6.916 -4.053 545 HD2 LYS 65 2HD LYS 65 7.842 7.823 -2.147 546 HD3 LYS 65 3HD LYS 65 7.571 6.109 -1.854 547 HE2 LYS 65 2HE LYS 65 10.201 7.202 -2.899 548 HE3 LYS 65 3HE LYS 65 9.845 7.048 -1.183 549 HZ1 LYS 65 3HZ LYS 65 11.068 5.149 -1.897 550 HZ2 LYS 65 1HZ LYS 65 9.985 4.832 -3.156 551 HZ3 LYS 65 2HZ LYS 65 9.488 4.656 -1.550 552 H THR 66 H THR 66 5.664 6.491 -7.069 553 HA THR 66 HA THR 66 7.752 7.865 -8.654 554 HB THR 66 HB THR 66 5.007 7.042 -9.726 555 HG1 THR 66 HG1 THR 66 6.203 5.172 -9.493 556 HG21 THR 66 3HG2 THR 66 5.953 7.624 -11.928 557 HG22 THR 66 1HG2 THR 66 7.467 8.116 -11.169 558 HG23 THR 66 2HG2 THR 66 5.984 9.023 -10.854 559 H GLY 67 H GLY 67 7.536 10.039 -8.671 560 HA2 GLY 67 2HA GLY 67 6.089 11.992 -8.917 561 HA3 GLY 67 3HA GLY 67 5.013 11.298 -7.711 562 H GLY 68 H GLY 68 5.860 13.845 -7.348 563 HA2 GLY 68 2HA GLY 68 7.546 13.696 -4.950 564 HA3 GLY 68 3HA GLY 68 8.170 14.648 -6.295 565 H SER 69 H SER 69 7.942 16.103 -4.200 566 HA SER 69 HA SER 69 5.679 17.894 -4.779 567 HB2 SER 69 2HB SER 69 6.412 16.961 -1.955 568 HB3 SER 69 3HB SER 69 5.259 18.240 -2.333 569 HG SER 69 HG SER 69 4.811 15.786 -3.558 570 H LEU 70 H LEU 70 7.234 19.241 -5.826 571 HA LEU 70 HA LEU 70 9.661 20.099 -4.500 572 HB2 LEU 70 2HB LEU 70 8.357 21.020 -7.092 573 HB3 LEU 70 3HB LEU 70 9.889 21.646 -6.504 574 HG LEU 70 HG LEU 70 9.338 18.770 -7.346 575 HD11 LEU 70 1HD1 LEU 70 9.454 20.305 -9.247 576 HD12 LEU 70 2HD1 LEU 70 10.837 19.215 -9.222 577 HD13 LEU 70 3HD1 LEU 70 11.029 20.893 -8.701 578 HD21 LEU 70 3HD2 LEU 70 11.939 19.993 -6.357 579 HD22 LEU 70 1HD2 LEU 70 11.751 18.375 -7.048 580 HD23 LEU 70 2HD2 LEU 70 10.961 18.777 -5.528 581 H GLU 71 H GLU 71 8.795 20.958 -2.576 582 HA GLU 71 HA GLU 71 7.241 23.393 -2.550 583 HB2 GLU 71 2HB GLU 71 7.796 23.420 -0.096 584 HB3 GLU 71 3HB GLU 71 7.038 21.927 -0.635 585 HG2 GLU 71 2HG GLU 71 9.182 20.767 -0.598 586 HG3 GLU 71 3HG GLU 71 10.022 22.268 -0.204 587 H HIS 72 H HIS 72 8.018 25.494 -2.006 588 HA HIS 72 HA HIS 72 10.788 26.201 -1.964 589 HB2 HIS 72 2HB HIS 72 10.934 27.258 -4.212 590 HB3 HIS 72 3HB HIS 72 10.663 25.528 -4.350 591 HD1 HIS 72 HD1 HIS 72 9.704 28.412 -6.011 592 HD2 HIS 72 HD2 HIS 72 7.519 25.197 -4.552 593 HE1 HIS 72 HE1 HIS 72 7.516 28.483 -7.225 594 HE2 HIS 72 HE2 HIS 72 6.142 26.667 -6.158 595 H HIS 73 H HIS 73 10.835 28.097 -0.868 596 HA HIS 73 HA HIS 73 8.453 29.590 -0.310 597 HB2 HIS 73 2HB HIS 73 11.369 30.079 0.423 598 HB3 HIS 73 3HB HIS 73 10.044 31.095 0.979 599 HD1 HIS 73 HD1 HIS 73 11.913 28.082 1.833 600 HD2 HIS 73 HD2 HIS 73 8.165 29.661 2.714 601 HE1 HIS 73 HE1 HIS 73 11.129 26.866 3.892 602 HE2 HIS 73 HE2 HIS 73 8.845 27.810 4.374 603 H HIS 74 H HIS 74 7.625 31.161 -1.564 604 HA HIS 74 HA HIS 74 9.143 32.505 -3.635 605 HB2 HIS 74 2HB HIS 74 7.017 33.768 -4.048 606 HB3 HIS 74 3HB HIS 74 6.781 32.025 -4.060 607 HD1 HIS 74 HD1 HIS 74 5.258 31.019 -2.303 608 HD2 HIS 74 HD2 HIS 74 5.807 35.113 -1.811 609 HE1 HIS 74 HE1 HIS 74 3.551 31.728 -0.615 610 HE2 HIS 74 HE2 HIS 74 3.936 34.194 -0.298 611 H HIS 75 H HIS 75 9.667 34.747 -3.696 612 HA HIS 75 HA HIS 75 10.481 35.902 -1.194 613 HB2 HIS 75 2HB HIS 75 11.514 37.644 -2.478 614 HB3 HIS 75 3HB HIS 75 11.718 36.174 -3.419 615 HD1 HIS 75 HD1 HIS 75 10.590 39.593 -3.685 616 HD2 HIS 75 HD2 HIS 75 9.749 36.038 -5.667 617 HE1 HIS 75 HE1 HIS 75 9.506 40.264 -5.840 618 HE2 HIS 75 HE2 HIS 75 9.046 38.098 -7.042 619 H HIS 76 H HIS 76 9.985 38.263 -0.716 620 HA HIS 76 HA HIS 76 7.216 39.075 -1.382 621 HB2 HIS 76 2HB HIS 76 8.533 39.147 1.376 622 HB3 HIS 76 3HB HIS 76 7.065 40.033 0.980 623 HD1 HIS 76 HD1 HIS 76 4.898 38.798 1.164 624 HD2 HIS 76 HD2 HIS 76 8.167 36.228 1.263 625 HE1 HIS 76 HE1 HIS 76 3.968 36.543 1.758 626 HE2 HIS 76 HE2 HIS 76 5.997 35.073 2.043 627 H HIS 77 H HIS 77 7.615 40.691 -2.752 628 HA HIS 77 HA HIS 77 9.662 42.644 -2.549 629 HB2 HIS 77 2HB HIS 77 8.566 42.199 -4.693 630 HB3 HIS 77 3HB HIS 77 7.001 42.680 -4.051 631 HD1 HIS 77 HD1 HIS 77 10.215 44.080 -5.385 632 HD2 HIS 77 HD2 HIS 77 6.574 45.477 -3.944 633 HE1 HIS 77 HE1 HIS 77 10.106 46.501 -6.040 634 HE2 HIS 77 HE2 HIS 77 7.960 47.350 -5.045 Start of MODEL 7 1 H1 MET 1 1H MET 1 1.504 14.772 -6.165 2 H2 MET 1 2H MET 1 1.734 14.296 -4.564 3 H3 MET 1 3H MET 1 0.328 15.119 -5.010 4 HA MET 1 HA MET 1 -0.132 12.804 -4.696 5 HB2 MET 1 2HB MET 1 -0.194 13.625 -7.639 6 HB3 MET 1 3HB MET 1 -1.177 12.358 -6.917 7 HG2 MET 1 2HG MET 1 -1.378 15.244 -6.035 8 HG3 MET 1 3HG MET 1 -2.307 14.593 -7.379 9 HE1 MET 1 3HE MET 1 -3.098 13.773 -2.899 10 HE2 MET 1 1HE MET 1 -2.083 15.055 -3.554 11 HE3 MET 1 2HE MET 1 -1.501 13.387 -3.538 12 H VAL 2 H VAL 2 1.207 11.207 -4.258 13 HA VAL 2 HA VAL 2 3.279 10.269 -6.127 14 HB VAL 2 HB VAL 2 2.858 9.682 -3.148 15 HG11 VAL 2 1HG1 VAL 2 3.897 7.743 -4.258 16 HG12 VAL 2 2HG1 VAL 2 5.053 8.547 -3.195 17 HG13 VAL 2 3HG1 VAL 2 5.144 8.788 -4.940 18 HG21 VAL 2 3HG2 VAL 2 4.976 11.389 -4.505 19 HG22 VAL 2 1HG2 VAL 2 4.882 11.044 -2.775 20 HG23 VAL 2 2HG2 VAL 2 3.613 11.991 -3.557 21 H ASP 3 H ASP 3 3.034 8.286 -7.080 22 HA ASP 3 HA ASP 3 0.636 6.682 -6.403 23 HB2 ASP 3 2HB ASP 3 0.706 7.381 -8.751 24 HB3 ASP 3 3HB ASP 3 2.332 6.736 -8.941 25 H LEU 4 H LEU 4 1.231 5.310 -4.833 26 HA LEU 4 HA LEU 4 3.666 3.688 -5.039 27 HB2 LEU 4 2HB LEU 4 1.426 3.706 -2.960 28 HB3 LEU 4 3HB LEU 4 2.898 2.749 -2.851 29 HG LEU 4 HG LEU 4 2.758 5.795 -2.789 30 HD11 LEU 4 1HD1 LEU 4 3.364 3.834 -0.556 31 HD12 LEU 4 2HD1 LEU 4 1.886 4.780 -0.738 32 HD13 LEU 4 3HD1 LEU 4 3.417 5.597 -0.443 33 HD21 LEU 4 3HD2 LEU 4 5.154 5.719 -2.231 34 HD22 LEU 4 1HD2 LEU 4 4.837 5.059 -3.834 35 HD23 LEU 4 2HD2 LEU 4 5.163 3.970 -2.482 36 H LYS 5 H LYS 5 3.487 2.099 -6.485 37 HA LYS 5 HA LYS 5 0.936 0.658 -6.881 38 HB2 LYS 5 2HB LYS 5 2.240 1.759 -8.824 39 HB3 LYS 5 3HB LYS 5 3.463 0.515 -8.592 40 HG2 LYS 5 2HG LYS 5 1.779 -1.231 -9.106 41 HG3 LYS 5 3HG LYS 5 0.551 0.024 -9.305 42 HD2 LYS 5 2HD LYS 5 1.305 -0.619 -11.504 43 HD3 LYS 5 3HD LYS 5 1.928 0.998 -11.172 44 HE2 LYS 5 2HE LYS 5 3.658 -0.323 -12.236 45 HE3 LYS 5 3HE LYS 5 4.132 -0.039 -10.558 46 HZ1 LYS 5 3HZ LYS 5 3.316 -2.262 -10.018 47 HZ2 LYS 5 1HZ LYS 5 4.508 -2.326 -11.208 48 HZ3 LYS 5 2HZ LYS 5 2.887 -2.515 -11.630 49 H ILE 6 H ILE 6 0.804 -1.090 -5.570 50 HA ILE 6 HA ILE 6 3.255 -2.363 -4.510 51 HB ILE 6 HB ILE 6 0.387 -2.489 -3.447 52 HG12 ILE 6 2HG1 ILE 6 1.209 -0.179 -3.243 53 HG13 ILE 6 3HG1 ILE 6 1.141 -0.918 -1.648 54 HG21 ILE 6 1HG2 ILE 6 2.981 -3.419 -2.151 55 HG22 ILE 6 2HG2 ILE 6 1.677 -4.448 -2.753 56 HG23 ILE 6 3HG2 ILE 6 1.397 -3.395 -1.364 57 HD11 ILE 6 3HD1 ILE 6 3.618 -0.475 -3.304 58 HD12 ILE 6 1HD1 ILE 6 3.573 -1.258 -1.721 59 HD13 ILE 6 2HD1 ILE 6 3.112 0.436 -1.883 60 H ASP 7 H ASP 7 3.781 -4.041 -5.859 61 HA ASP 7 HA ASP 7 1.872 -5.683 -7.236 62 HB2 ASP 7 2HB ASP 7 4.199 -5.247 -8.063 63 HB3 ASP 7 3HB ASP 7 4.851 -6.157 -6.703 64 H VAL 8 H VAL 8 0.652 -7.234 -6.268 65 HA VAL 8 HA VAL 8 1.557 -8.394 -3.681 66 HB VAL 8 HB VAL 8 -0.833 -8.845 -3.163 67 HG11 VAL 8 1HG1 VAL 8 0.203 -6.797 -2.305 68 HG12 VAL 8 2HG1 VAL 8 -1.506 -6.523 -2.644 69 HG13 VAL 8 3HG1 VAL 8 -0.276 -5.912 -3.757 70 HG21 VAL 8 3HG2 VAL 8 -1.506 -7.263 -5.681 71 HG22 VAL 8 1HG2 VAL 8 -2.668 -7.818 -4.468 72 HG23 VAL 8 2HG2 VAL 8 -1.773 -8.990 -5.437 73 H SER 9 H SER 9 1.416 -10.592 -3.389 74 HA SER 9 HA SER 9 1.483 -12.270 -5.795 75 HB2 SER 9 2HB SER 9 2.337 -12.831 -2.919 76 HB3 SER 9 3HB SER 9 2.604 -13.911 -4.291 77 HG SER 9 HG SER 9 4.211 -12.701 -4.950 78 H ASP 10 H ASP 10 -0.719 -11.429 -3.342 79 HA ASP 10 HA ASP 10 -2.449 -13.704 -3.881 80 HB2 ASP 10 2HB ASP 10 -0.905 -14.517 -2.082 81 HB3 ASP 10 3HB ASP 10 -1.394 -13.172 -1.060 82 H ASP 11 H ASP 11 -4.585 -13.446 -2.817 83 HA ASP 11 HA ASP 11 -5.495 -10.686 -3.170 84 HB2 ASP 11 2HB ASP 11 -7.750 -11.627 -3.385 85 HB3 ASP 11 3HB ASP 11 -6.628 -12.476 -4.438 86 H GLU 12 H GLU 12 -5.526 -13.198 -0.621 87 HA GLU 12 HA GLU 12 -6.831 -11.746 1.431 88 HB2 GLU 12 2HB GLU 12 -6.412 -14.064 1.830 89 HB3 GLU 12 3HB GLU 12 -4.718 -13.915 1.414 90 HG2 GLU 12 2HG GLU 12 -4.816 -14.307 3.755 91 HG3 GLU 12 3HG GLU 12 -4.365 -12.616 3.544 92 H GLU 13 H GLU 13 -3.473 -11.868 0.352 93 HA GLU 13 HA GLU 13 -2.260 -10.144 2.218 94 HB2 GLU 13 2HB GLU 13 -1.007 -11.669 0.744 95 HB3 GLU 13 3HB GLU 13 -1.504 -10.747 -0.676 96 HG2 GLU 13 2HG GLU 13 -0.250 -8.778 0.191 97 HG3 GLU 13 3HG GLU 13 0.260 -9.731 1.582 98 H ALA 14 H ALA 14 -3.811 -9.536 -0.892 99 HA ALA 14 HA ALA 14 -3.355 -6.779 -1.163 100 HB1 ALA 14 3HB ALA 14 -5.659 -8.463 -2.199 101 HB2 ALA 14 1HB ALA 14 -4.113 -8.186 -3.006 102 HB3 ALA 14 2HB ALA 14 -5.234 -6.843 -2.767 103 H GLU 15 H GLU 15 -6.169 -8.507 0.240 104 HA GLU 15 HA GLU 15 -7.702 -6.434 1.187 105 HB2 GLU 15 2HB GLU 15 -7.103 -9.135 2.451 106 HB3 GLU 15 3HB GLU 15 -8.309 -8.043 3.122 107 HG2 GLU 15 2HG GLU 15 -8.377 -9.255 0.345 108 HG3 GLU 15 3HG GLU 15 -9.316 -9.804 1.735 109 H LYS 16 H LYS 16 -4.893 -7.916 2.725 110 HA LYS 16 HA LYS 16 -5.078 -6.535 5.196 111 HB2 LYS 16 2HB LYS 16 -2.751 -8.039 3.945 112 HB3 LYS 16 3HB LYS 16 -2.817 -7.495 5.621 113 HG2 LYS 16 2HG LYS 16 -4.694 -8.999 6.088 114 HG3 LYS 16 3HG LYS 16 -4.771 -9.469 4.388 115 HD2 LYS 16 2HD LYS 16 -3.639 -11.222 5.613 116 HD3 LYS 16 3HD LYS 16 -2.457 -10.408 4.584 117 HE2 LYS 16 2HE LYS 16 -1.540 -10.865 6.814 118 HE3 LYS 16 3HE LYS 16 -1.645 -9.123 6.535 119 HZ1 LYS 16 3HZ LYS 16 -3.633 -10.734 8.051 120 HZ2 LYS 16 1HZ LYS 16 -3.659 -9.057 7.848 121 HZ3 LYS 16 2HZ LYS 16 -2.428 -9.780 8.751 122 H ILE 17 H ILE 17 -3.313 -5.876 2.154 123 HA ILE 17 HA ILE 17 -1.670 -3.745 3.029 124 HB ILE 17 HB ILE 17 -2.954 -4.198 0.279 125 HG12 ILE 17 2HG1 ILE 17 -1.365 -5.986 0.979 126 HG13 ILE 17 3HG1 ILE 17 -0.741 -5.079 -0.396 127 HG21 ILE 17 1HG2 ILE 17 -1.238 -2.622 -0.634 128 HG22 ILE 17 2HG2 ILE 17 -0.748 -2.223 1.015 129 HG23 ILE 17 3HG2 ILE 17 -2.374 -1.823 0.458 130 HD11 ILE 17 3HD1 ILE 17 0.086 -4.650 2.471 131 HD12 ILE 17 1HD1 ILE 17 0.768 -3.859 1.046 132 HD13 ILE 17 2HD1 ILE 17 0.960 -5.595 1.275 133 H ILE 18 H ILE 18 -4.876 -3.686 1.497 134 HA ILE 18 HA ILE 18 -5.376 -0.927 1.525 135 HB ILE 18 HB ILE 18 -7.325 -3.279 1.556 136 HG12 ILE 18 2HG1 ILE 18 -6.082 -1.704 -0.749 137 HG13 ILE 18 3HG1 ILE 18 -5.735 -3.373 -0.321 138 HG21 ILE 18 1HG2 ILE 18 -7.892 -0.401 0.756 139 HG22 ILE 18 2HG2 ILE 18 -8.516 -1.214 2.191 140 HG23 ILE 18 3HG2 ILE 18 -9.013 -1.756 0.587 141 HD11 ILE 18 3HD1 ILE 18 -8.333 -2.308 -1.404 142 HD12 ILE 18 1HD1 ILE 18 -8.033 -3.979 -0.913 143 HD13 ILE 18 2HD1 ILE 18 -7.131 -3.278 -2.254 144 H ARG 19 H ARG 19 -6.230 -3.452 3.844 145 HA ARG 19 HA ARG 19 -7.740 -1.926 5.663 146 HB2 ARG 19 2HB ARG 19 -7.677 -4.467 5.461 147 HB3 ARG 19 3HB ARG 19 -6.122 -4.439 6.289 148 HG2 ARG 19 2HG ARG 19 -7.218 -3.441 8.287 149 HG3 ARG 19 3HG ARG 19 -8.766 -3.471 7.438 150 HD2 ARG 19 2HD ARG 19 -8.445 -6.005 7.215 151 HD3 ARG 19 3HD ARG 19 -7.106 -5.839 8.356 152 HE ARG 19 HE ARG 19 -9.928 -5.753 8.913 153 HH11 ARG 19 1HH1 ARG 19 -6.803 -4.733 10.163 154 HH12 ARG 19 2HH1 ARG 19 -7.367 -4.616 11.795 155 HH21 ARG 19 1HH2 ARG 19 -10.643 -5.584 11.060 156 HH22 ARG 19 2HH2 ARG 19 -9.531 -5.093 12.304 157 H GLU 20 H GLU 20 -4.306 -2.899 5.658 158 HA GLU 20 HA GLU 20 -3.511 -1.823 8.117 159 HB2 GLU 20 2HB GLU 20 -2.191 -3.475 6.891 160 HB3 GLU 20 3HB GLU 20 -1.926 -2.344 5.570 161 HG2 GLU 20 2HG GLU 20 0.090 -2.554 6.900 162 HG3 GLU 20 3HG GLU 20 -0.562 -0.928 7.057 163 H ILE 21 H ILE 21 -3.411 -0.381 4.859 164 HA ILE 21 HA ILE 21 -2.144 2.039 5.633 165 HB ILE 21 HB ILE 21 -3.890 1.479 3.203 166 HG12 ILE 21 2HG1 ILE 21 -1.931 -0.011 3.229 167 HG13 ILE 21 3HG1 ILE 21 -1.748 1.188 1.960 168 HG21 ILE 21 1HG2 ILE 21 -2.782 3.432 2.175 169 HG22 ILE 21 2HG2 ILE 21 -1.956 3.768 3.695 170 HG23 ILE 21 3HG2 ILE 21 -3.715 3.888 3.601 171 HD11 ILE 21 3HD1 ILE 21 -0.173 2.434 3.391 172 HD12 ILE 21 1HD1 ILE 21 0.346 0.780 3.070 173 HD13 ILE 21 2HD1 ILE 21 -0.347 1.192 4.637 174 H ARG 22 H ARG 22 -5.529 1.003 5.430 175 HA ARG 22 HA ARG 22 -6.637 3.628 5.967 176 HB2 ARG 22 2HB ARG 22 -7.886 0.859 5.853 177 HB3 ARG 22 3HB ARG 22 -8.817 2.297 6.272 178 HG2 ARG 22 2HG ARG 22 -8.335 3.284 4.072 179 HG3 ARG 22 3HG ARG 22 -7.349 1.882 3.641 180 HD2 ARG 22 2HD ARG 22 -9.316 0.421 3.780 181 HD3 ARG 22 3HD ARG 22 -10.318 1.780 4.304 182 HE ARG 22 HE ARG 22 -9.184 2.491 1.867 183 HH11 ARG 22 1HH1 ARG 22 -11.464 0.048 3.026 184 HH12 ARG 22 2HH1 ARG 22 -12.310 -0.038 1.512 185 HH21 ARG 22 1HH2 ARG 22 -10.325 2.361 -0.093 186 HH22 ARG 22 2HH2 ARG 22 -11.665 1.266 -0.241 187 H GLU 23 H GLU 23 -5.252 1.183 7.966 188 HA GLU 23 HA GLU 23 -6.783 1.577 10.365 189 HB2 GLU 23 2HB GLU 23 -3.985 0.446 9.875 190 HB3 GLU 23 3HB GLU 23 -4.677 0.567 11.487 191 HG2 GLU 23 2HG GLU 23 -5.782 -1.081 9.201 192 HG3 GLU 23 3HG GLU 23 -4.879 -1.700 10.577 193 H GLN 24 H GLN 24 -3.739 2.834 9.092 194 HA GLN 24 HA GLN 24 -3.306 4.620 11.389 195 HB2 GLN 24 2HB GLN 24 -1.519 3.954 9.008 196 HB3 GLN 24 3HB GLN 24 -1.041 4.936 10.392 197 HG2 GLN 24 2HG GLN 24 -1.200 3.025 11.887 198 HG3 GLN 24 3HG GLN 24 -1.887 2.024 10.606 199 HE21 GLN 24 1HE2 GLN 24 -0.523 1.135 9.042 200 HE22 GLN 24 2HE2 GLN 24 1.201 1.206 9.154 201 H TRP 25 H TRP 25 -3.759 4.749 7.875 202 HA TRP 25 HA TRP 25 -4.321 7.676 8.016 203 HB2 TRP 25 2HB TRP 25 -3.291 6.197 5.551 204 HB3 TRP 25 3HB TRP 25 -3.429 7.939 5.775 205 HD1 TRP 25 HD1 TRP 25 -1.485 9.128 7.280 206 HE1 TRP 25 HE1 TRP 25 0.862 8.333 7.962 207 HE3 TRP 25 HE3 TRP 25 -1.896 4.177 6.052 208 HZ2 TRP 25 HZ2 TRP 25 2.332 5.930 7.985 209 HZ3 TRP 25 HZ3 TRP 25 0.026 2.694 6.424 210 HH2 TRP 25 HH2 TRP 25 2.108 3.557 7.371 211 HA PRO 26 HA PRO 26 -8.374 5.823 6.578 212 HB2 PRO 26 2HB PRO 26 -9.880 7.953 7.573 213 HB3 PRO 26 3HB PRO 26 -9.470 6.502 8.513 214 HG2 PRO 26 2HG PRO 26 -8.091 9.177 8.505 215 HG3 PRO 26 3HG PRO 26 -8.554 8.161 9.886 216 HD2 PRO 26 2HD PRO 26 -6.021 8.182 9.005 217 HD3 PRO 26 3HD PRO 26 -6.770 6.664 9.554 218 H LYS 27 H LYS 27 -6.860 8.995 6.237 219 HA LYS 27 HA LYS 27 -8.591 9.870 4.068 220 HB2 LYS 27 2HB LYS 27 -6.155 11.124 5.380 221 HB3 LYS 27 3HB LYS 27 -6.873 11.810 3.933 222 HG2 LYS 27 2HG LYS 27 -7.713 13.060 5.756 223 HG3 LYS 27 3HG LYS 27 -9.042 12.036 5.209 224 HD2 LYS 27 2HD LYS 27 -8.606 10.479 7.082 225 HD3 LYS 27 3HD LYS 27 -7.259 11.494 7.611 226 HE2 LYS 27 2HE LYS 27 -9.241 11.939 8.976 227 HE3 LYS 27 3HE LYS 27 -8.842 13.365 8.014 228 HZ1 LYS 27 3HZ LYS 27 -10.591 12.771 6.459 229 HZ2 LYS 27 1HZ LYS 27 -11.224 12.882 8.024 230 HZ3 LYS 27 2HZ LYS 27 -10.939 11.366 7.334 231 H ALA 28 H ALA 28 -5.691 8.027 4.283 232 HA ALA 28 HA ALA 28 -4.453 8.561 1.810 233 HB1 ALA 28 3HB ALA 28 -4.554 5.935 3.345 234 HB2 ALA 28 1HB ALA 28 -3.364 7.223 3.538 235 HB3 ALA 28 2HB ALA 28 -3.431 6.313 2.032 236 H THR 29 H THR 29 -5.307 8.373 -0.189 237 HA THR 29 HA THR 29 -7.779 7.013 -0.677 238 HB THR 29 HB THR 29 -5.878 8.394 -2.616 239 HG1 THR 29 HG1 THR 29 -7.062 9.559 -0.726 240 HG21 THR 29 3HG2 THR 29 -7.449 6.901 -3.815 241 HG22 THR 29 1HG2 THR 29 -7.859 8.596 -4.098 242 HG23 THR 29 2HG2 THR 29 -8.813 7.635 -2.967 243 H VAL 30 H VAL 30 -7.621 4.836 -0.609 244 HA VAL 30 HA VAL 30 -5.552 3.395 -2.136 245 HB VAL 30 HB VAL 30 -7.713 2.150 -0.357 246 HG11 VAL 30 1HG1 VAL 30 -5.073 1.054 -1.401 247 HG12 VAL 30 2HG1 VAL 30 -6.681 0.623 -1.990 248 HG13 VAL 30 3HG1 VAL 30 -6.200 0.196 -0.347 249 HG21 VAL 30 3HG2 VAL 30 -6.339 3.674 1.034 250 HG22 VAL 30 1HG2 VAL 30 -4.870 2.870 0.474 251 HG23 VAL 30 2HG2 VAL 30 -6.046 1.985 1.454 252 H THR 31 H THR 31 -6.106 3.198 -4.241 253 HA THR 31 HA THR 31 -8.886 2.792 -5.092 254 HB THR 31 HB THR 31 -6.316 3.199 -6.702 255 HG1 THR 31 HG1 THR 31 -8.289 4.943 -5.690 256 HG21 THR 31 3HG2 THR 31 -8.020 2.006 -8.048 257 HG22 THR 31 1HG2 THR 31 -7.791 3.660 -8.627 258 HG23 THR 31 2HG2 THR 31 -9.208 3.254 -7.657 259 H ARG 32 H ARG 32 -9.562 0.814 -6.037 260 HA ARG 32 HA ARG 32 -8.005 -1.512 -5.249 261 HB2 ARG 32 2HB ARG 32 -10.501 -1.206 -4.793 262 HB3 ARG 32 3HB ARG 32 -10.777 -1.361 -6.521 263 HG2 ARG 32 2HG ARG 32 -11.253 -3.477 -5.467 264 HG3 ARG 32 3HG ARG 32 -9.778 -3.665 -6.423 265 HD2 ARG 32 2HD ARG 32 -8.438 -3.361 -4.337 266 HD3 ARG 32 3HD ARG 32 -9.941 -3.255 -3.414 267 HE ARG 32 HE ARG 32 -9.323 -5.663 -4.999 268 HH11 ARG 32 1HH1 ARG 32 -9.959 -4.208 -1.860 269 HH12 ARG 32 2HH1 ARG 32 -10.082 -5.743 -1.052 270 HH21 ARG 32 1HH2 ARG 32 -9.404 -7.647 -3.903 271 HH22 ARG 32 2HH2 ARG 32 -9.766 -7.676 -2.206 272 H THR 33 H THR 33 -6.661 -2.449 -6.713 273 HA THR 33 HA THR 33 -7.317 -2.483 -9.572 274 HB THR 33 HB THR 33 -4.607 -1.553 -8.499 275 HG1 THR 33 HG1 THR 33 -6.862 -0.213 -9.432 276 HG21 THR 33 3HG2 THR 33 -4.014 -1.158 -10.869 277 HG22 THR 33 1HG2 THR 33 -5.553 -1.857 -11.379 278 HG23 THR 33 2HG2 THR 33 -4.342 -2.867 -10.582 279 H ASN 34 H ASN 34 -6.918 -4.508 -10.411 280 HA ASN 34 HA ASN 34 -6.033 -6.663 -8.754 281 HB2 ASN 34 2HB ASN 34 -7.741 -6.977 -10.516 282 HB3 ASN 34 3HB ASN 34 -6.580 -6.529 -11.759 283 HD21 ASN 34 1HD2 ASN 34 -7.498 -9.021 -9.466 284 HD22 ASN 34 2HD2 ASN 34 -6.618 -10.309 -10.213 285 H GLY 35 H GLY 35 -4.181 -8.121 -9.340 286 HA2 GLY 35 2HA GLY 35 -1.924 -8.468 -9.488 287 HA3 GLY 35 3HA GLY 35 -1.868 -7.199 -10.694 288 H ASP 36 H ASP 36 -2.345 -4.941 -9.469 289 HA ASP 36 HA ASP 36 -0.375 -4.704 -7.265 290 HB2 ASP 36 2HB ASP 36 -0.827 -2.842 -9.656 291 HB3 ASP 36 3HB ASP 36 0.202 -2.456 -8.280 292 H ILE 37 H ILE 37 -1.000 -3.425 -5.577 293 HA ILE 37 HA ILE 37 -3.674 -2.261 -5.530 294 HB ILE 37 HB ILE 37 -1.599 -2.573 -3.295 295 HG12 ILE 37 2HG1 ILE 37 -2.547 -4.732 -4.153 296 HG13 ILE 37 3HG1 ILE 37 -2.979 -4.432 -2.474 297 HG21 ILE 37 1HG2 ILE 37 -3.459 -1.995 -1.726 298 HG22 ILE 37 2HG2 ILE 37 -4.493 -1.621 -3.106 299 HG23 ILE 37 3HG2 ILE 37 -3.049 -0.654 -2.800 300 HD11 ILE 37 3HD1 ILE 37 -4.838 -5.354 -3.721 301 HD12 ILE 37 1HD1 ILE 37 -4.768 -4.034 -4.883 302 HD13 ILE 37 2HD1 ILE 37 -5.229 -3.715 -3.205 303 H LYS 38 H LYS 38 -3.890 -0.266 -6.168 304 HA LYS 38 HA LYS 38 -1.685 1.599 -6.437 305 HB2 LYS 38 2HB LYS 38 -3.134 1.345 -8.336 306 HB3 LYS 38 3HB LYS 38 -4.587 1.555 -7.362 307 HG2 LYS 38 2HG LYS 38 -4.034 3.922 -7.012 308 HG3 LYS 38 3HG LYS 38 -2.535 3.732 -7.926 309 HD2 LYS 38 2HD LYS 38 -5.282 3.189 -9.108 310 HD3 LYS 38 3HD LYS 38 -4.493 4.766 -9.182 311 HE2 LYS 38 2HE LYS 38 -3.341 2.200 -10.339 312 HE3 LYS 38 3HE LYS 38 -4.173 3.462 -11.254 313 HZ1 LYS 38 3HZ LYS 38 -1.803 3.762 -11.414 314 HZ2 LYS 38 1HZ LYS 38 -1.642 3.803 -9.732 315 HZ3 LYS 38 2HZ LYS 38 -2.465 5.038 -10.531 316 H LEU 39 H LEU 39 -1.187 2.695 -4.654 317 HA LEU 39 HA LEU 39 -3.277 3.891 -2.922 318 HB2 LEU 39 2HB LEU 39 -1.927 2.311 -1.663 319 HB3 LEU 39 3HB LEU 39 -0.433 2.979 -2.304 320 HG LEU 39 HG LEU 39 -0.816 5.083 -1.017 321 HD11 LEU 39 1HD1 LEU 39 -2.582 5.219 0.681 322 HD12 LEU 39 2HD1 LEU 39 -3.254 3.688 0.114 323 HD13 LEU 39 3HD1 LEU 39 -3.250 5.099 -0.948 324 HD21 LEU 39 3HD2 LEU 39 -0.367 4.170 1.218 325 HD22 LEU 39 1HD2 LEU 39 0.537 3.313 -0.030 326 HD23 LEU 39 2HD2 LEU 39 -0.901 2.575 0.680 327 H ASP 40 H ASP 40 -3.233 6.084 -2.663 328 HA ASP 40 HA ASP 40 -1.170 7.675 -4.067 329 HB2 ASP 40 2HB ASP 40 -3.464 8.171 -4.804 330 HB3 ASP 40 3HB ASP 40 -3.977 8.432 -3.143 331 H ALA 41 H ALA 41 0.389 8.334 -2.754 332 HA ALA 41 HA ALA 41 -0.138 9.159 0.023 333 HB1 ALA 41 3HB ALA 41 2.471 8.958 -1.542 334 HB2 ALA 41 1HB ALA 41 1.866 7.788 -0.368 335 HB3 ALA 41 2HB ALA 41 2.334 9.404 0.161 336 H GLN 42 H GLN 42 -0.247 11.282 0.576 337 HA GLN 42 HA GLN 42 -0.594 13.346 -1.333 338 HB2 GLN 42 2HB GLN 42 -1.620 13.361 0.932 339 HB3 GLN 42 3HB GLN 42 -0.029 13.523 1.662 340 HG2 GLN 42 2HG GLN 42 -1.106 15.675 1.718 341 HG3 GLN 42 3HG GLN 42 0.206 15.753 0.545 342 HE21 GLN 42 1HE2 GLN 42 -0.680 17.490 -0.559 343 HE22 GLN 42 2HE2 GLN 42 -2.106 17.359 -1.527 344 H THR 43 H THR 43 2.074 12.465 0.791 345 HA THR 43 HA THR 43 4.017 13.936 -0.876 346 HB THR 43 HB THR 43 3.684 15.387 1.027 347 HG1 THR 43 HG1 THR 43 5.804 15.417 0.658 348 HG21 THR 43 3HG2 THR 43 2.649 13.848 2.629 349 HG22 THR 43 1HG2 THR 43 4.024 14.668 3.372 350 HG23 THR 43 2HG2 THR 43 4.182 12.997 2.829 351 H GLU 44 H GLU 44 6.184 13.102 -0.761 352 HA GLU 44 HA GLU 44 6.366 10.271 -0.766 353 HB2 GLU 44 2HB GLU 44 8.563 12.377 -0.869 354 HB3 GLU 44 3HB GLU 44 8.837 10.649 -1.112 355 HG2 GLU 44 2HG GLU 44 7.329 10.700 -3.087 356 HG3 GLU 44 3HG GLU 44 7.092 12.429 -2.844 357 H LYS 45 H LYS 45 6.912 12.657 1.707 358 HA LYS 45 HA LYS 45 8.425 11.072 3.536 359 HB2 LYS 45 2HB LYS 45 6.645 13.504 4.001 360 HB3 LYS 45 3HB LYS 45 7.697 12.796 5.231 361 HG2 LYS 45 2HG LYS 45 9.667 13.252 3.798 362 HG3 LYS 45 3HG LYS 45 8.609 13.993 2.592 363 HD2 LYS 45 2HD LYS 45 7.991 15.764 4.172 364 HD3 LYS 45 3HD LYS 45 8.929 14.989 5.455 365 HE2 LYS 45 2HE LYS 45 10.141 16.899 4.475 366 HE3 LYS 45 3HE LYS 45 11.009 15.389 4.194 367 HZ1 LYS 45 3HZ LYS 45 10.984 16.759 2.222 368 HZ2 LYS 45 1HZ LYS 45 9.298 16.813 2.225 369 HZ3 LYS 45 2HZ LYS 45 10.095 15.351 1.943 370 H GLU 46 H GLU 46 4.981 11.447 2.909 371 HA GLU 46 HA GLU 46 4.081 9.879 5.149 372 HB2 GLU 46 2HB GLU 46 2.745 11.630 3.639 373 HB3 GLU 46 3HB GLU 46 2.442 10.237 2.616 374 HG2 GLU 46 2HG GLU 46 0.550 10.501 4.058 375 HG3 GLU 46 3HG GLU 46 1.432 9.077 4.614 376 H ALA 47 H ALA 47 5.034 9.365 1.834 377 HA ALA 47 HA ALA 47 4.123 6.693 1.472 378 HB1 ALA 47 3HB ALA 47 6.283 8.209 -0.020 379 HB2 ALA 47 1HB ALA 47 4.556 8.233 -0.384 380 HB3 ALA 47 2HB ALA 47 5.469 6.736 -0.564 381 H GLU 48 H GLU 48 6.957 8.029 3.027 382 HA GLU 48 HA GLU 48 8.643 5.751 3.034 383 HB2 GLU 48 2HB GLU 48 8.340 7.916 5.166 384 HB3 GLU 48 3HB GLU 48 9.672 6.770 5.075 385 HG2 GLU 48 2HG GLU 48 9.029 8.924 3.052 386 HG3 GLU 48 3HG GLU 48 10.313 8.982 4.254 387 H LYS 49 H LYS 49 5.910 6.709 5.013 388 HA LYS 49 HA LYS 49 6.270 4.625 7.021 389 HB2 LYS 49 2HB LYS 49 3.889 6.470 6.661 390 HB3 LYS 49 3HB LYS 49 4.424 5.679 8.141 391 HG2 LYS 49 2HG LYS 49 6.252 7.202 8.408 392 HG3 LYS 49 3HG LYS 49 6.078 7.823 6.757 393 HD2 LYS 49 2HD LYS 49 3.821 8.720 7.373 394 HD3 LYS 49 3HD LYS 49 4.074 8.175 9.030 395 HE2 LYS 49 2HE LYS 49 5.918 9.735 9.301 396 HE3 LYS 49 3HE LYS 49 5.820 10.196 7.598 397 HZ1 LYS 49 3HZ LYS 49 3.774 10.691 9.693 398 HZ2 LYS 49 1HZ LYS 49 3.539 11.011 8.050 399 HZ3 LYS 49 2HZ LYS 49 4.725 11.847 8.914 400 H MET 50 H MET 50 3.954 5.570 4.597 401 HA MET 50 HA MET 50 2.120 3.509 4.513 402 HB2 MET 50 2HB MET 50 3.206 5.139 2.200 403 HB3 MET 50 3HB MET 50 1.891 3.985 1.998 404 HG2 MET 50 2HG MET 50 0.550 5.237 3.651 405 HG3 MET 50 3HG MET 50 1.861 6.416 3.798 406 HE1 MET 50 3HE MET 50 -0.036 8.309 3.215 407 HE2 MET 50 1HE MET 50 -1.240 7.038 2.994 408 HE3 MET 50 2HE MET 50 -0.999 8.251 1.740 409 H GLU 51 H GLU 51 5.111 3.570 2.491 410 HA GLU 51 HA GLU 51 4.959 0.925 1.584 411 HB2 GLU 51 2HB GLU 51 7.233 1.153 0.869 412 HB3 GLU 51 3HB GLU 51 6.487 2.734 0.698 413 HG2 GLU 51 2HG GLU 51 7.577 3.525 2.691 414 HG3 GLU 51 3HG GLU 51 8.224 1.930 3.046 415 H LYS 52 H LYS 52 6.140 2.161 4.648 416 HA LYS 52 HA LYS 52 7.487 -0.185 5.602 417 HB2 LYS 52 2HB LYS 52 7.857 2.101 6.555 418 HB3 LYS 52 3HB LYS 52 6.215 2.096 7.179 419 HG2 LYS 52 2HG LYS 52 7.738 1.632 8.991 420 HG3 LYS 52 3HG LYS 52 6.815 0.164 8.654 421 HD2 LYS 52 2HD LYS 52 8.724 -0.783 7.420 422 HD3 LYS 52 3HD LYS 52 9.638 0.711 7.638 423 HE2 LYS 52 2HE LYS 52 9.580 0.310 10.122 424 HE3 LYS 52 3HE LYS 52 8.798 -1.244 9.810 425 HZ1 LYS 52 3HZ LYS 52 11.176 -1.528 10.069 426 HZ2 LYS 52 1HZ LYS 52 11.482 -0.416 8.834 427 HZ3 LYS 52 2HZ LYS 52 10.732 -1.887 8.480 428 H ALA 53 H ALA 53 4.197 1.055 5.805 429 HA ALA 53 HA ALA 53 3.090 -0.896 7.544 430 HB1 ALA 53 3HB ALA 53 1.716 0.870 5.492 431 HB2 ALA 53 1HB ALA 53 2.099 1.326 7.156 432 HB3 ALA 53 2HB ALA 53 0.940 0.038 6.842 433 H VAL 54 H VAL 54 3.287 -0.630 3.997 434 HA VAL 54 HA VAL 54 2.022 -2.997 3.239 435 HB VAL 54 HB VAL 54 4.366 -1.500 1.983 436 HG11 VAL 54 1HG1 VAL 54 3.864 -2.656 -0.133 437 HG12 VAL 54 2HG1 VAL 54 2.663 -3.652 0.690 438 HG13 VAL 54 3HG1 VAL 54 4.368 -3.798 1.115 439 HG21 VAL 54 3HG2 VAL 54 2.290 -0.186 2.179 440 HG22 VAL 54 1HG2 VAL 54 1.394 -1.453 1.338 441 HG23 VAL 54 2HG2 VAL 54 2.644 -0.541 0.485 442 H LYS 55 H LYS 55 5.484 -2.455 4.039 443 HA LYS 55 HA LYS 55 6.502 -5.026 3.809 444 HB2 LYS 55 2HB LYS 55 7.287 -2.885 5.828 445 HB3 LYS 55 3HB LYS 55 8.223 -4.351 5.538 446 HG2 LYS 55 2HG LYS 55 8.683 -3.672 3.247 447 HG3 LYS 55 3HG LYS 55 7.635 -2.259 3.417 448 HD2 LYS 55 2HD LYS 55 9.146 -1.350 5.165 449 HD3 LYS 55 3HD LYS 55 10.191 -2.765 4.996 450 HE2 LYS 55 2HE LYS 55 11.137 -0.867 3.789 451 HE3 LYS 55 3HE LYS 55 10.646 -2.115 2.640 452 HZ1 LYS 55 3HZ LYS 55 9.992 0.067 1.882 453 HZ2 LYS 55 1HZ LYS 55 9.123 0.350 3.305 454 HZ3 LYS 55 2HZ LYS 55 8.615 -0.848 2.224 455 H LYS 56 H LYS 56 4.618 -3.670 6.481 456 HA LYS 56 HA LYS 56 5.007 -5.689 8.426 457 HB2 LYS 56 2HB LYS 56 2.595 -3.864 8.025 458 HB3 LYS 56 3HB LYS 56 2.930 -4.797 9.484 459 HG2 LYS 56 2HG LYS 56 4.982 -3.482 9.885 460 HG3 LYS 56 3HG LYS 56 4.705 -2.583 8.391 461 HD2 LYS 56 2HD LYS 56 4.004 -1.260 10.332 462 HD3 LYS 56 3HD LYS 56 2.612 -1.658 9.321 463 HE2 LYS 56 2HE LYS 56 2.138 -1.885 11.746 464 HE3 LYS 56 3HE LYS 56 1.935 -3.411 10.884 465 HZ1 LYS 56 3HZ LYS 56 4.154 -4.061 11.660 466 HZ2 LYS 56 1HZ LYS 56 3.103 -3.765 12.941 467 HZ3 LYS 56 2HZ LYS 56 4.280 -2.628 12.536 468 H VAL 57 H VAL 57 2.755 -5.404 5.746 469 HA VAL 57 HA VAL 57 1.251 -7.819 6.301 470 HB VAL 57 HB VAL 57 1.379 -6.040 3.817 471 HG11 VAL 57 1HG1 VAL 57 0.595 -8.267 3.182 472 HG12 VAL 57 2HG1 VAL 57 -0.745 -7.121 3.128 473 HG13 VAL 57 3HG1 VAL 57 -0.604 -8.249 4.480 474 HG21 VAL 57 3HG2 VAL 57 -0.677 -6.097 6.057 475 HG22 VAL 57 1HG2 VAL 57 -0.769 -5.104 4.599 476 HG23 VAL 57 2HG2 VAL 57 0.521 -4.830 5.774 477 H LYS 58 H LYS 58 4.067 -6.903 4.382 478 HA LYS 58 HA LYS 58 4.481 -9.567 3.357 479 HB2 LYS 58 2HB LYS 58 4.443 -8.892 0.927 480 HB3 LYS 58 3HB LYS 58 2.867 -8.951 1.697 481 HG2 LYS 58 2HG LYS 58 2.930 -6.452 1.906 482 HG3 LYS 58 3HG LYS 58 4.443 -6.449 1.005 483 HD2 LYS 58 2HD LYS 58 1.846 -7.586 -0.105 484 HD3 LYS 58 3HD LYS 58 2.328 -5.907 -0.320 485 HE2 LYS 58 2HE LYS 58 2.865 -7.153 -2.313 486 HE3 LYS 58 3HE LYS 58 4.362 -6.667 -1.524 487 HZ1 LYS 58 3HZ LYS 58 4.599 -8.916 -0.667 488 HZ2 LYS 58 1HZ LYS 58 4.451 -8.946 -2.351 489 HZ3 LYS 58 2HZ LYS 58 3.139 -9.376 -1.375 490 HA PRO 59 HA PRO 59 8.476 -7.458 4.242 491 HB2 PRO 59 2HB PRO 59 9.507 -10.277 4.144 492 HB3 PRO 59 3HB PRO 59 9.641 -9.066 5.437 493 HG2 PRO 59 2HG PRO 59 8.005 -11.160 5.715 494 HG3 PRO 59 3HG PRO 59 7.544 -9.550 6.319 495 HD2 PRO 59 2HD PRO 59 6.670 -10.919 3.764 496 HD3 PRO 59 3HD PRO 59 5.693 -10.032 4.962 497 H ASN 60 H ASN 60 7.600 -9.568 1.630 498 HA ASN 60 HA ASN 60 10.029 -8.986 0.054 499 HB2 ASN 60 2HB ASN 60 7.689 -10.872 -0.482 500 HB3 ASN 60 3HB ASN 60 9.106 -10.710 -1.516 501 HD21 ASN 60 1HD2 ASN 60 11.111 -11.584 -0.794 502 HD22 ASN 60 2HD2 ASN 60 11.189 -12.691 0.533 503 H ALA 61 H ALA 61 7.713 -7.078 0.694 504 HA ALA 61 HA ALA 61 6.173 -6.407 -1.477 505 HB1 ALA 61 3HB ALA 61 7.468 -4.502 0.506 506 HB2 ALA 61 1HB ALA 61 5.957 -5.383 0.756 507 HB3 ALA 61 2HB ALA 61 6.058 -4.143 -0.496 508 H THR 62 H THR 62 6.826 -6.108 -3.537 509 HA THR 62 HA THR 62 9.208 -4.523 -4.213 510 HB THR 62 HB THR 62 7.240 -5.950 -6.065 511 HG1 THR 62 HG1 THR 62 8.943 -7.049 -4.396 512 HG21 THR 62 3HG2 THR 62 10.054 -4.892 -6.577 513 HG22 THR 62 1HG2 THR 62 8.555 -4.197 -7.221 514 HG23 THR 62 2HG2 THR 62 9.077 -5.805 -7.724 515 H ILE 63 H ILE 63 8.765 -2.436 -3.899 516 HA ILE 63 HA ILE 63 6.072 -1.326 -4.361 517 HB ILE 63 HB ILE 63 8.347 -0.369 -2.547 518 HG12 ILE 63 2HG1 ILE 63 5.639 -1.547 -1.790 519 HG13 ILE 63 3HG1 ILE 63 7.124 -2.483 -1.862 520 HG21 ILE 63 1HG2 ILE 63 6.741 1.296 -1.646 521 HG22 ILE 63 2HG2 ILE 63 5.560 0.809 -2.864 522 HG23 ILE 63 3HG2 ILE 63 7.072 1.571 -3.360 523 HD11 ILE 63 3HD1 ILE 63 6.644 -1.960 0.392 524 HD12 ILE 63 1HD1 ILE 63 6.463 -0.247 0.027 525 HD13 ILE 63 2HD1 ILE 63 8.049 -1.012 -0.093 526 H ARG 64 H ARG 64 5.815 0.045 -6.003 527 HA ARG 64 HA ARG 64 8.156 1.343 -7.256 528 HB2 ARG 64 2HB ARG 64 5.334 0.911 -8.335 529 HB3 ARG 64 3HB ARG 64 6.619 1.755 -9.197 530 HG2 ARG 64 2HG ARG 64 6.657 -1.166 -8.373 531 HG3 ARG 64 3HG ARG 64 6.340 -0.560 -9.998 532 HD2 ARG 64 2HD ARG 64 8.632 0.297 -10.165 533 HD3 ARG 64 3HD ARG 64 8.959 -0.161 -8.488 534 HE ARG 64 HE ARG 64 8.184 -2.485 -9.703 535 HH11 ARG 64 1HH1 ARG 64 10.761 -0.160 -10.304 536 HH12 ARG 64 2HH1 ARG 64 11.831 -1.347 -10.981 537 HH21 ARG 64 1HH2 ARG 64 9.598 -4.029 -10.591 538 HH22 ARG 64 2HH2 ARG 64 11.171 -3.537 -11.147 539 H LYS 65 H LYS 65 8.493 3.324 -6.558 540 HA LYS 65 HA LYS 65 6.234 5.033 -5.685 541 HB2 LYS 65 2HB LYS 65 7.810 4.560 -3.858 542 HB3 LYS 65 3HB LYS 65 9.164 5.115 -4.839 543 HG2 LYS 65 2HG LYS 65 8.208 7.410 -4.860 544 HG3 LYS 65 3HG LYS 65 6.846 6.851 -3.885 545 HD2 LYS 65 2HD LYS 65 9.762 6.812 -3.014 546 HD3 LYS 65 3HD LYS 65 8.577 8.025 -2.528 547 HE2 LYS 65 2HE LYS 65 7.247 6.255 -1.411 548 HE3 LYS 65 3HE LYS 65 8.451 5.055 -1.887 549 HZ1 LYS 65 3HZ LYS 65 8.960 7.398 -0.123 550 HZ2 LYS 65 1HZ LYS 65 10.096 6.230 -0.577 551 HZ3 LYS 65 2HZ LYS 65 8.777 5.798 0.390 552 H THR 66 H THR 66 5.735 6.445 -7.192 553 HA THR 66 HA THR 66 7.767 7.632 -8.984 554 HB THR 66 HB THR 66 5.666 8.678 -10.061 555 HG1 THR 66 HG1 THR 66 4.202 6.628 -8.787 556 HG21 THR 66 3HG2 THR 66 5.845 5.639 -10.070 557 HG22 THR 66 1HG2 THR 66 6.793 6.732 -11.086 558 HG23 THR 66 2HG2 THR 66 5.045 6.632 -11.290 559 H GLY 67 H GLY 67 7.243 10.117 -9.340 560 HA2 GLY 67 2HA GLY 67 6.618 12.203 -8.267 561 HA3 GLY 67 3HA GLY 67 6.927 11.457 -6.702 562 H GLY 68 H GLY 68 9.327 10.285 -6.942 563 HA2 GLY 68 2HA GLY 68 11.194 12.528 -7.437 564 HA3 GLY 68 3HA GLY 68 11.474 11.144 -6.391 565 H SER 69 H SER 69 10.377 11.340 -9.777 566 HA SER 69 HA SER 69 12.274 9.242 -10.560 567 HB2 SER 69 2HB SER 69 11.016 9.331 -12.732 568 HB3 SER 69 3HB SER 69 9.947 9.076 -11.348 569 HG SER 69 HG SER 69 8.945 10.697 -12.309 570 H LEU 70 H LEU 70 13.230 9.644 -12.922 571 HA LEU 70 HA LEU 70 14.794 12.118 -12.924 572 HB2 LEU 70 2HB LEU 70 14.848 9.681 -14.763 573 HB3 LEU 70 3HB LEU 70 15.859 11.092 -15.011 574 HG LEU 70 HG LEU 70 17.241 9.425 -14.007 575 HD11 LEU 70 1HD1 LEU 70 18.010 10.457 -11.951 576 HD12 LEU 70 2HD1 LEU 70 16.507 11.373 -11.809 577 HD13 LEU 70 3HD1 LEU 70 17.610 11.681 -13.155 578 HD21 LEU 70 3HD2 LEU 70 15.178 9.049 -11.809 579 HD22 LEU 70 1HD2 LEU 70 16.761 8.266 -11.889 580 HD23 LEU 70 2HD2 LEU 70 15.542 7.915 -13.111 581 H GLU 71 H GLU 71 14.336 13.834 -14.163 582 HA GLU 71 HA GLU 71 11.932 14.112 -15.604 583 HB2 GLU 71 2HB GLU 71 13.487 15.920 -14.460 584 HB3 GLU 71 3HB GLU 71 14.318 15.961 -16.007 585 HG2 GLU 71 2HG GLU 71 11.408 16.654 -15.473 586 HG3 GLU 71 3HG GLU 71 12.700 17.789 -15.846 587 H HIS 72 H HIS 72 11.501 13.409 -17.596 588 HA HIS 72 HA HIS 72 13.487 12.073 -19.182 589 HB2 HIS 72 2HB HIS 72 10.517 12.498 -19.749 590 HB3 HIS 72 3HB HIS 72 11.596 11.418 -20.641 591 HD1 HIS 72 HD1 HIS 72 9.716 11.731 -17.431 592 HD2 HIS 72 HD2 HIS 72 12.279 9.019 -19.246 593 HE1 HIS 72 HE1 HIS 72 9.574 9.650 -16.043 594 HE2 HIS 72 HE2 HIS 72 11.023 7.987 -17.253 595 H HIS 73 H HIS 73 14.874 13.688 -19.819 596 HA HIS 73 HA HIS 73 14.054 15.823 -21.616 597 HB2 HIS 73 2HB HIS 73 16.809 14.777 -20.798 598 HB3 HIS 73 3HB HIS 73 16.564 16.134 -21.893 599 HD1 HIS 73 HD1 HIS 73 16.153 15.168 -18.269 600 HD2 HIS 73 HD2 HIS 73 15.959 18.559 -20.667 601 HE1 HIS 73 HE1 HIS 73 16.099 17.110 -16.689 602 HE2 HIS 73 HE2 HIS 73 15.884 19.136 -18.153 603 H HIS 74 H HIS 74 15.640 12.665 -21.805 604 HA HIS 74 HA HIS 74 16.108 12.641 -24.618 605 HB2 HIS 74 2HB HIS 74 16.003 10.370 -22.582 606 HB3 HIS 74 3HB HIS 74 16.495 10.153 -24.256 607 HD1 HIS 74 HD1 HIS 74 18.895 10.682 -24.844 608 HD2 HIS 74 HD2 HIS 74 17.888 11.923 -21.009 609 HE1 HIS 74 HE1 HIS 74 21.047 11.432 -23.786 610 HE2 HIS 74 HE2 HIS 74 20.390 12.254 -21.506 611 H HIS 75 H HIS 75 14.272 13.106 -25.738 612 HA HIS 75 HA HIS 75 11.849 11.453 -25.435 613 HB2 HIS 75 2HB HIS 75 12.329 13.940 -27.147 614 HB3 HIS 75 3HB HIS 75 10.781 13.127 -26.925 615 HD1 HIS 75 HD1 HIS 75 12.111 16.112 -25.924 616 HD2 HIS 75 HD2 HIS 75 10.563 12.952 -23.709 617 HE1 HIS 75 HE1 HIS 75 11.481 17.091 -23.700 618 HE2 HIS 75 HE2 HIS 75 10.674 15.136 -22.351 619 H HIS 76 H HIS 76 10.766 10.928 -27.631 620 HA HIS 76 HA HIS 76 12.426 9.046 -28.988 621 HB2 HIS 76 2HB HIS 76 10.439 8.487 -30.313 622 HB3 HIS 76 3HB HIS 76 9.971 8.704 -28.630 623 HD1 HIS 76 HD1 HIS 76 9.532 10.166 -32.039 624 HD2 HIS 76 HD2 HIS 76 8.303 10.954 -28.147 625 HE1 HIS 76 HE1 HIS 76 7.715 11.884 -32.236 626 HE2 HIS 76 HE2 HIS 76 6.864 12.182 -29.896 627 H HIS 77 H HIS 77 13.214 9.027 -31.062 628 HA HIS 77 HA HIS 77 12.797 11.040 -33.042 629 HB2 HIS 77 2HB HIS 77 14.310 12.368 -31.608 630 HB3 HIS 77 3HB HIS 77 15.492 11.066 -31.603 631 HD1 HIS 77 HD1 HIS 77 17.408 11.639 -33.080 632 HD2 HIS 77 HD2 HIS 77 13.835 13.139 -34.582 633 HE1 HIS 77 HE1 HIS 77 18.011 12.812 -35.211 634 HE2 HIS 77 HE2 HIS 77 15.850 13.771 -36.059 Start of MODEL 8 1 H1 MET 1 1H MET 1 -0.505 12.880 -4.599 2 H2 MET 1 2H MET 1 -1.586 11.582 -4.728 3 H3 MET 1 3H MET 1 -2.133 13.164 -4.958 4 HA MET 1 HA MET 1 -1.901 11.933 -7.013 5 HB2 MET 1 2HB MET 1 -0.683 13.706 -8.247 6 HB3 MET 1 3HB MET 1 -1.772 14.376 -7.045 7 HG2 MET 1 2HG MET 1 0.204 14.676 -5.523 8 HG3 MET 1 3HG MET 1 1.238 14.187 -6.863 9 HE1 MET 1 3HE MET 1 -1.134 16.981 -5.408 10 HE2 MET 1 1HE MET 1 -2.049 16.482 -6.836 11 HE3 MET 1 2HE MET 1 -1.281 18.069 -6.784 12 H VAL 2 H VAL 2 0.302 11.007 -4.848 13 HA VAL 2 HA VAL 2 2.481 10.216 -6.612 14 HB VAL 2 HB VAL 2 1.973 9.150 -3.791 15 HG11 VAL 2 1HG1 VAL 2 4.555 9.391 -5.386 16 HG12 VAL 2 2HG1 VAL 2 3.666 7.899 -5.077 17 HG13 VAL 2 3HG1 VAL 2 4.413 8.772 -3.738 18 HG21 VAL 2 3HG2 VAL 2 3.508 11.664 -4.516 19 HG22 VAL 2 1HG2 VAL 2 3.443 10.924 -2.913 20 HG23 VAL 2 2HG2 VAL 2 1.979 11.588 -3.640 21 H ASP 3 H ASP 3 2.761 8.130 -7.467 22 HA ASP 3 HA ASP 3 0.588 6.162 -6.995 23 HB2 ASP 3 2HB ASP 3 0.801 6.714 -9.383 24 HB3 ASP 3 3HB ASP 3 2.518 6.365 -9.336 25 H LEU 4 H LEU 4 1.170 4.847 -5.431 26 HA LEU 4 HA LEU 4 3.934 3.791 -5.244 27 HB2 LEU 4 2HB LEU 4 1.648 3.567 -3.231 28 HB3 LEU 4 3HB LEU 4 3.296 3.020 -2.980 29 HG LEU 4 HG LEU 4 2.430 5.925 -3.274 30 HD11 LEU 4 1HD1 LEU 4 3.343 4.435 -0.792 31 HD12 LEU 4 2HD1 LEU 4 1.704 5.000 -1.130 32 HD13 LEU 4 3HD1 LEU 4 3.003 6.165 -0.903 33 HD21 LEU 4 3HD2 LEU 4 4.728 6.502 -2.659 34 HD22 LEU 4 1HD2 LEU 4 4.671 5.592 -4.168 35 HD23 LEU 4 2HD2 LEU 4 5.173 4.794 -2.676 36 H LYS 5 H LYS 5 4.106 1.976 -6.408 37 HA LYS 5 HA LYS 5 1.733 0.320 -6.986 38 HB2 LYS 5 2HB LYS 5 3.149 1.422 -8.835 39 HB3 LYS 5 3HB LYS 5 4.431 0.296 -8.404 40 HG2 LYS 5 2HG LYS 5 2.870 -1.598 -8.936 41 HG3 LYS 5 3HG LYS 5 1.677 -0.417 -9.474 42 HD2 LYS 5 2HD LYS 5 4.367 -1.056 -10.709 43 HD3 LYS 5 3HD LYS 5 2.776 -1.199 -11.449 44 HE2 LYS 5 2HE LYS 5 4.276 1.365 -10.813 45 HE3 LYS 5 3HE LYS 5 3.889 0.725 -12.404 46 HZ1 LYS 5 3HZ LYS 5 1.942 1.753 -10.415 47 HZ2 LYS 5 1HZ LYS 5 1.527 1.048 -11.899 48 HZ3 LYS 5 2HZ LYS 5 2.398 2.495 -11.855 49 H ILE 6 H ILE 6 1.604 -1.298 -5.541 50 HA ILE 6 HA ILE 6 4.054 -2.726 -4.662 51 HB ILE 6 HB ILE 6 1.325 -2.665 -3.282 52 HG12 ILE 6 2HG1 ILE 6 2.761 -1.557 -1.363 53 HG13 ILE 6 3HG1 ILE 6 3.892 -1.169 -2.646 54 HG21 ILE 6 1HG2 ILE 6 3.910 -3.986 -2.374 55 HG22 ILE 6 2HG2 ILE 6 2.480 -4.827 -2.976 56 HG23 ILE 6 3HG2 ILE 6 2.403 -3.932 -1.460 57 HD11 ILE 6 3HD1 ILE 6 1.026 -0.253 -2.464 58 HD12 ILE 6 1HD1 ILE 6 2.153 0.156 -3.760 59 HD13 ILE 6 2HD1 ILE 6 2.460 0.711 -2.114 60 H ASP 7 H ASP 7 4.227 -4.845 -5.311 61 HA ASP 7 HA ASP 7 2.265 -6.161 -6.938 62 HB2 ASP 7 2HB ASP 7 3.765 -8.099 -6.834 63 HB3 ASP 7 3HB ASP 7 4.732 -6.641 -7.039 64 H VAL 8 H VAL 8 0.594 -7.529 -6.306 65 HA VAL 8 HA VAL 8 0.814 -8.924 -3.700 66 HB VAL 8 HB VAL 8 -1.709 -8.811 -3.398 67 HG11 VAL 8 1HG1 VAL 8 -0.204 -7.440 -2.019 68 HG12 VAL 8 2HG1 VAL 8 -1.722 -6.599 -2.328 69 HG13 VAL 8 3HG1 VAL 8 -0.265 -6.140 -3.214 70 HG21 VAL 8 3HG2 VAL 8 -2.354 -8.143 -5.679 71 HG22 VAL 8 1HG2 VAL 8 -1.581 -6.574 -5.452 72 HG23 VAL 8 2HG2 VAL 8 -2.993 -7.011 -4.483 73 H SER 9 H SER 9 0.548 -11.053 -3.871 74 HA SER 9 HA SER 9 0.079 -12.291 -6.426 75 HB2 SER 9 2HB SER 9 0.388 -14.439 -5.083 76 HB3 SER 9 3HB SER 9 1.723 -13.291 -4.960 77 HG SER 9 HG SER 9 0.013 -14.214 -3.023 78 H ASP 10 H ASP 10 -1.552 -12.472 -3.258 79 HA ASP 10 HA ASP 10 -3.880 -13.761 -4.494 80 HB2 ASP 10 2HB ASP 10 -3.157 -13.289 -1.567 81 HB3 ASP 10 3HB ASP 10 -4.592 -14.153 -2.117 82 H ASP 11 H ASP 11 -5.983 -13.180 -3.536 83 HA ASP 11 HA ASP 11 -6.594 -10.353 -3.896 84 HB2 ASP 11 2HB ASP 11 -8.947 -11.107 -3.832 85 HB3 ASP 11 3HB ASP 11 -8.012 -12.097 -4.947 86 H GLU 12 H GLU 12 -6.361 -12.761 -1.342 87 HA GLU 12 HA GLU 12 -7.493 -11.311 0.831 88 HB2 GLU 12 2HB GLU 12 -7.207 -13.746 0.951 89 HB3 GLU 12 3HB GLU 12 -5.471 -13.593 0.715 90 HG2 GLU 12 2HG GLU 12 -5.303 -12.411 2.911 91 HG3 GLU 12 3HG GLU 12 -7.032 -12.658 3.146 92 H GLU 13 H GLU 13 -4.187 -11.856 -0.328 93 HA GLU 13 HA GLU 13 -2.611 -10.342 1.285 94 HB2 GLU 13 2HB GLU 13 -1.870 -11.756 -0.641 95 HB3 GLU 13 3HB GLU 13 -2.447 -10.515 -1.747 96 HG2 GLU 13 2HG GLU 13 -0.121 -10.196 -1.664 97 HG3 GLU 13 3HG GLU 13 -0.768 -8.937 -0.621 98 H ALA 14 H ALA 14 -4.476 -9.172 -1.507 99 HA ALA 14 HA ALA 14 -3.712 -6.491 -1.487 100 HB1 ALA 14 3HB ALA 14 -5.741 -6.111 -2.824 101 HB2 ALA 14 1HB ALA 14 -6.340 -7.711 -2.367 102 HB3 ALA 14 2HB ALA 14 -4.880 -7.560 -3.346 103 H GLU 15 H GLU 15 -6.542 -8.040 0.093 104 HA GLU 15 HA GLU 15 -7.817 -5.798 1.153 105 HB2 GLU 15 2HB GLU 15 -7.662 -8.597 2.358 106 HB3 GLU 15 3HB GLU 15 -8.843 -7.371 2.802 107 HG2 GLU 15 2HG GLU 15 -9.779 -7.447 0.505 108 HG3 GLU 15 3HG GLU 15 -8.598 -8.689 0.083 109 H LYS 16 H LYS 16 -5.154 -7.704 2.448 110 HA LYS 16 HA LYS 16 -5.074 -6.663 5.067 111 HB2 LYS 16 2HB LYS 16 -2.927 -7.934 3.340 112 HB3 LYS 16 3HB LYS 16 -2.669 -7.531 5.026 113 HG2 LYS 16 2HG LYS 16 -4.845 -9.435 4.131 114 HG3 LYS 16 3HG LYS 16 -3.199 -9.961 4.463 115 HD2 LYS 16 2HD LYS 16 -4.338 -10.425 6.467 116 HD3 LYS 16 3HD LYS 16 -3.528 -8.897 6.815 117 HE2 LYS 16 2HE LYS 16 -5.880 -8.974 7.647 118 HE3 LYS 16 3HE LYS 16 -5.622 -7.687 6.468 119 HZ1 LYS 16 3HZ LYS 16 -6.830 -10.346 5.872 120 HZ2 LYS 16 1HZ LYS 16 -6.625 -9.079 4.772 121 HZ3 LYS 16 2HZ LYS 16 -7.683 -8.902 6.073 122 H ILE 17 H ILE 17 -3.374 -5.726 2.088 123 HA ILE 17 HA ILE 17 -1.637 -3.791 3.184 124 HB ILE 17 HB ILE 17 -2.777 -3.879 0.350 125 HG12 ILE 17 2HG1 ILE 17 -1.769 -6.030 0.785 126 HG13 ILE 17 3HG1 ILE 17 -0.656 -5.133 -0.232 127 HG21 ILE 17 1HG2 ILE 17 -0.725 -2.694 -0.334 128 HG22 ILE 17 2HG2 ILE 17 -0.225 -2.574 1.353 129 HG23 ILE 17 3HG2 ILE 17 -1.679 -1.736 0.805 130 HD11 ILE 17 3HD1 ILE 17 0.520 -6.396 1.445 131 HD12 ILE 17 1HD1 ILE 17 -0.375 -5.615 2.744 132 HD13 ILE 17 2HD1 ILE 17 0.747 -4.678 1.750 133 H ILE 18 H ILE 18 -4.837 -3.492 1.665 134 HA ILE 18 HA ILE 18 -5.129 -0.707 1.751 135 HB ILE 18 HB ILE 18 -7.045 -3.030 1.490 136 HG12 ILE 18 2HG1 ILE 18 -7.497 -2.057 -0.738 137 HG13 ILE 18 3HG1 ILE 18 -6.477 -0.679 -0.361 138 HG21 ILE 18 1HG2 ILE 18 -8.353 -1.453 2.816 139 HG22 ILE 18 2HG2 ILE 18 -8.960 -1.490 1.159 140 HG23 ILE 18 3HG2 ILE 18 -7.954 -0.145 1.702 141 HD11 ILE 18 3HD1 ILE 18 -4.535 -2.198 -0.306 142 HD12 ILE 18 1HD1 ILE 18 -5.363 -2.172 -1.865 143 HD13 ILE 18 2HD1 ILE 18 -5.607 -3.523 -0.761 144 H ARG 19 H ARG 19 -6.255 -3.224 4.074 145 HA ARG 19 HA ARG 19 -7.592 -1.488 5.849 146 HB2 ARG 19 2HB ARG 19 -7.998 -3.900 5.907 147 HB3 ARG 19 3HB ARG 19 -6.330 -4.210 6.383 148 HG2 ARG 19 2HG ARG 19 -6.720 -3.073 8.546 149 HG3 ARG 19 3HG ARG 19 -8.377 -2.703 8.068 150 HD2 ARG 19 2HD ARG 19 -7.246 -5.500 8.430 151 HD3 ARG 19 3HD ARG 19 -8.235 -4.639 9.612 152 HE ARG 19 HE ARG 19 -9.611 -4.704 7.182 153 HH11 ARG 19 1HH1 ARG 19 -8.671 -6.975 9.701 154 HH12 ARG 19 2HH1 ARG 19 -9.989 -8.052 9.375 155 HH21 ARG 19 1HH2 ARG 19 -11.272 -6.144 6.712 156 HH22 ARG 19 2HH2 ARG 19 -11.472 -7.580 7.673 157 H GLU 20 H GLU 20 -4.286 -2.781 5.876 158 HA GLU 20 HA GLU 20 -3.409 -1.841 8.347 159 HB2 GLU 20 2HB GLU 20 -2.232 -3.539 6.988 160 HB3 GLU 20 3HB GLU 20 -1.830 -2.314 5.791 161 HG2 GLU 20 2HG GLU 20 0.100 -2.851 7.196 162 HG3 GLU 20 3HG GLU 20 -0.385 -1.173 7.388 163 H ILE 21 H ILE 21 -3.250 -0.297 5.138 164 HA ILE 21 HA ILE 21 -1.937 2.076 6.026 165 HB ILE 21 HB ILE 21 -3.569 1.621 3.501 166 HG12 ILE 21 2HG1 ILE 21 -1.688 0.065 3.589 167 HG13 ILE 21 3HG1 ILE 21 -1.363 1.296 2.379 168 HG21 ILE 21 1HG2 ILE 21 -1.595 3.842 4.134 169 HG22 ILE 21 2HG2 ILE 21 -3.340 4.022 3.933 170 HG23 ILE 21 3HG2 ILE 21 -2.333 3.554 2.562 171 HD11 ILE 21 3HD1 ILE 21 0.152 2.427 3.952 172 HD12 ILE 21 1HD1 ILE 21 0.622 0.759 3.627 173 HD13 ILE 21 2HD1 ILE 21 -0.168 1.165 5.147 174 H ARG 22 H ARG 22 -5.382 1.222 5.520 175 HA ARG 22 HA ARG 22 -6.296 3.941 5.783 176 HB2 ARG 22 2HB ARG 22 -7.778 1.302 5.581 177 HB3 ARG 22 3HB ARG 22 -8.621 2.830 5.823 178 HG2 ARG 22 2HG ARG 22 -7.586 3.707 3.723 179 HG3 ARG 22 3HG ARG 22 -6.852 2.120 3.462 180 HD2 ARG 22 2HD ARG 22 -8.889 2.370 2.125 181 HD3 ARG 22 3HD ARG 22 -9.094 1.100 3.333 182 HE ARG 22 HE ARG 22 -10.114 3.329 4.547 183 HH11 ARG 22 1HH1 ARG 22 -10.836 1.746 1.474 184 HH12 ARG 22 2HH1 ARG 22 -12.495 2.258 1.474 185 HH21 ARG 22 1HH2 ARG 22 -12.289 3.951 4.546 186 HH22 ARG 22 2HH2 ARG 22 -13.326 3.515 3.223 187 H GLU 23 H GLU 23 -5.610 1.498 8.156 188 HA GLU 23 HA GLU 23 -7.440 2.465 10.181 189 HB2 GLU 23 2HB GLU 23 -5.004 0.653 10.333 190 HB3 GLU 23 3HB GLU 23 -5.960 1.086 11.746 191 HG2 GLU 23 2HG GLU 23 -7.963 0.046 10.717 192 HG3 GLU 23 3HG GLU 23 -6.997 -0.407 9.313 193 H GLN 24 H GLN 24 -4.046 3.042 9.342 194 HA GLN 24 HA GLN 24 -3.647 4.914 11.563 195 HB2 GLN 24 2HB GLN 24 -1.723 4.247 9.293 196 HB3 GLN 24 3HB GLN 24 -1.339 5.000 10.836 197 HG2 GLN 24 2HG GLN 24 -2.076 2.851 11.958 198 HG3 GLN 24 3HG GLN 24 -2.163 2.133 10.352 199 HE21 GLN 24 1HE2 GLN 24 -0.467 1.399 12.588 200 HE22 GLN 24 2HE2 GLN 24 1.161 1.536 12.033 201 H TRP 25 H TRP 25 -4.075 4.890 8.095 202 HA TRP 25 HA TRP 25 -4.326 7.860 8.039 203 HB2 TRP 25 2HB TRP 25 -3.321 6.025 5.815 204 HB3 TRP 25 3HB TRP 25 -3.552 7.766 5.679 205 HD1 TRP 25 HD1 TRP 25 -1.795 9.327 7.157 206 HE1 TRP 25 HE1 TRP 25 0.625 8.848 7.869 207 HE3 TRP 25 HE3 TRP 25 -1.681 4.258 6.427 208 HZ2 TRP 25 HZ2 TRP 25 2.361 6.655 8.075 209 HZ3 TRP 25 HZ3 TRP 25 0.402 3.038 6.897 210 HH2 TRP 25 HH2 TRP 25 2.384 4.214 7.707 211 HA PRO 26 HA PRO 26 -8.448 5.929 6.996 212 HB2 PRO 26 2HB PRO 26 -9.991 7.942 8.084 213 HB3 PRO 26 3HB PRO 26 -9.295 6.627 9.048 214 HG2 PRO 26 2HG PRO 26 -8.253 9.421 8.679 215 HG3 PRO 26 3HG PRO 26 -8.417 8.474 10.178 216 HD2 PRO 26 2HD PRO 26 -6.038 8.701 8.902 217 HD3 PRO 26 3HD PRO 26 -6.504 7.202 9.744 218 H LYS 27 H LYS 27 -7.050 9.024 6.298 219 HA LYS 27 HA LYS 27 -9.029 9.723 4.261 220 HB2 LYS 27 2HB LYS 27 -6.537 11.280 5.061 221 HB3 LYS 27 3HB LYS 27 -7.921 11.872 4.160 222 HG2 LYS 27 2HG LYS 27 -7.876 11.105 7.088 223 HG3 LYS 27 3HG LYS 27 -8.000 12.732 6.417 224 HD2 LYS 27 2HD LYS 27 -10.193 12.105 5.390 225 HD3 LYS 27 3HD LYS 27 -10.074 10.523 6.167 226 HE2 LYS 27 2HE LYS 27 -11.511 11.972 7.485 227 HE3 LYS 27 3HE LYS 27 -10.032 11.653 8.391 228 HZ1 LYS 27 3HZ LYS 27 -9.201 13.821 7.696 229 HZ2 LYS 27 1HZ LYS 27 -10.664 13.969 8.522 230 HZ3 LYS 27 2HZ LYS 27 -10.627 14.119 6.840 231 H ALA 28 H ALA 28 -6.105 7.968 4.392 232 HA ALA 28 HA ALA 28 -4.802 8.709 2.003 233 HB1 ALA 28 3HB ALA 28 -3.705 7.335 3.712 234 HB2 ALA 28 1HB ALA 28 -3.659 6.519 2.149 235 HB3 ALA 28 2HB ALA 28 -4.809 6.001 3.386 236 H THR 29 H THR 29 -5.584 8.636 0.011 237 HA THR 29 HA THR 29 -7.836 7.093 -0.825 238 HB THR 29 HB THR 29 -5.846 8.778 -2.398 239 HG1 THR 29 HG1 THR 29 -7.121 9.890 -0.763 240 HG21 THR 29 3HG2 THR 29 -7.576 8.925 -4.149 241 HG22 THR 29 1HG2 THR 29 -8.607 7.818 -3.242 242 HG23 THR 29 2HG2 THR 29 -7.075 7.251 -3.909 243 H VAL 30 H VAL 30 -7.700 4.948 -1.357 244 HA VAL 30 HA VAL 30 -5.187 3.884 -2.529 245 HB VAL 30 HB VAL 30 -7.188 2.168 -0.989 246 HG11 VAL 30 1HG1 VAL 30 -5.284 0.607 -0.816 247 HG12 VAL 30 2HG1 VAL 30 -4.268 1.734 -1.713 248 HG13 VAL 30 3HG1 VAL 30 -5.659 0.980 -2.501 249 HG21 VAL 30 3HG2 VAL 30 -6.389 3.863 0.621 250 HG22 VAL 30 1HG2 VAL 30 -4.717 3.456 0.229 251 HG23 VAL 30 2HG2 VAL 30 -5.753 2.264 1.012 252 H THR 31 H THR 31 -5.437 3.194 -4.571 253 HA THR 31 HA THR 31 -8.040 2.251 -5.592 254 HB THR 31 HB THR 31 -5.426 2.777 -7.058 255 HG1 THR 31 HG1 THR 31 -6.160 4.750 -6.523 256 HG21 THR 31 3HG2 THR 31 -6.829 1.144 -8.268 257 HG22 THR 31 1HG2 THR 31 -6.763 2.691 -9.123 258 HG23 THR 31 2HG2 THR 31 -8.192 2.262 -8.184 259 H ARG 32 H ARG 32 -8.366 0.058 -5.403 260 HA ARG 32 HA ARG 32 -6.028 -1.734 -5.019 261 HB2 ARG 32 2HB ARG 32 -7.654 -1.640 -3.132 262 HB3 ARG 32 3HB ARG 32 -8.940 -2.149 -4.217 263 HG2 ARG 32 2HG ARG 32 -7.441 -4.262 -4.638 264 HG3 ARG 32 3HG ARG 32 -6.594 -3.749 -3.179 265 HD2 ARG 32 2HD ARG 32 -9.460 -4.645 -3.473 266 HD3 ARG 32 3HD ARG 32 -8.189 -5.332 -2.457 267 HE ARG 32 HE ARG 32 -8.799 -2.639 -1.734 268 HH11 ARG 32 1HH1 ARG 32 -9.961 -5.936 -1.299 269 HH12 ARG 32 2HH1 ARG 32 -10.813 -5.550 0.162 270 HH21 ARG 32 1HH2 ARG 32 -9.993 -2.123 0.038 271 HH22 ARG 32 2HH2 ARG 32 -10.829 -3.356 0.921 272 H THR 33 H THR 33 -5.657 -2.171 -7.330 273 HA THR 33 HA THR 33 -7.643 -4.103 -8.361 274 HB THR 33 HB THR 33 -6.250 -4.038 -10.440 275 HG1 THR 33 HG1 THR 33 -4.227 -3.492 -9.450 276 HG21 THR 33 3HG2 THR 33 -8.101 -2.370 -10.184 277 HG22 THR 33 1HG2 THR 33 -6.774 -1.751 -11.173 278 HG23 THR 33 2HG2 THR 33 -6.944 -1.224 -9.497 279 H ASN 34 H ASN 34 -7.269 -6.254 -8.040 280 HA ASN 34 HA ASN 34 -5.165 -7.404 -6.624 281 HB2 ASN 34 2HB ASN 34 -7.307 -8.570 -7.083 282 HB3 ASN 34 3HB ASN 34 -6.882 -8.718 -8.782 283 HD21 ASN 34 1HD2 ASN 34 -6.929 -10.937 -8.801 284 HD22 ASN 34 2HD2 ASN 34 -5.791 -11.929 -7.976 285 H GLY 35 H GLY 35 -3.161 -8.300 -7.189 286 HA2 GLY 35 2HA GLY 35 -1.340 -8.733 -8.643 287 HA3 GLY 35 3HA GLY 35 -2.123 -7.820 -9.923 288 H ASP 36 H ASP 36 -2.683 -5.399 -8.741 289 HA ASP 36 HA ASP 36 -0.047 -4.335 -7.870 290 HB2 ASP 36 2HB ASP 36 -1.792 -3.142 -10.091 291 HB3 ASP 36 3HB ASP 36 -0.301 -2.448 -9.474 292 H ILE 37 H ILE 37 -0.466 -3.291 -5.944 293 HA ILE 37 HA ILE 37 -3.074 -2.046 -5.465 294 HB ILE 37 HB ILE 37 -0.737 -2.564 -3.562 295 HG12 ILE 37 2HG1 ILE 37 -1.873 -4.627 -4.128 296 HG13 ILE 37 3HG1 ILE 37 -2.350 -4.182 -2.495 297 HG21 ILE 37 1HG2 ILE 37 -2.261 -1.846 -1.738 298 HG22 ILE 37 2HG2 ILE 37 -3.459 -1.351 -2.934 299 HG23 ILE 37 3HG2 ILE 37 -1.902 -0.524 -2.851 300 HD11 ILE 37 3HD1 ILE 37 -4.228 -5.038 -3.729 301 HD12 ILE 37 1HD1 ILE 37 -4.001 -3.847 -5.004 302 HD13 ILE 37 2HD1 ILE 37 -4.498 -3.332 -3.389 303 H LYS 38 H LYS 38 -3.205 -0.100 -6.204 304 HA LYS 38 HA LYS 38 -0.907 1.681 -6.470 305 HB2 LYS 38 2HB LYS 38 -3.806 2.119 -7.304 306 HB3 LYS 38 3HB LYS 38 -2.391 3.010 -7.870 307 HG2 LYS 38 2HG LYS 38 -1.586 1.078 -9.093 308 HG3 LYS 38 3HG LYS 38 -2.839 0.051 -8.391 309 HD2 LYS 38 2HD LYS 38 -3.408 0.648 -10.699 310 HD3 LYS 38 3HD LYS 38 -4.571 1.352 -9.573 311 HE2 LYS 38 2HE LYS 38 -3.935 2.928 -11.364 312 HE3 LYS 38 3HE LYS 38 -3.475 3.533 -9.773 313 HZ1 LYS 38 3HZ LYS 38 -1.750 3.817 -11.507 314 HZ2 LYS 38 1HZ LYS 38 -1.615 2.137 -11.630 315 HZ3 LYS 38 2HZ LYS 38 -1.209 2.920 -10.180 316 H LEU 39 H LEU 39 -0.461 2.659 -4.546 317 HA LEU 39 HA LEU 39 -2.683 3.639 -2.840 318 HB2 LEU 39 2HB LEU 39 -1.197 2.117 -1.672 319 HB3 LEU 39 3HB LEU 39 0.228 2.994 -2.209 320 HG LEU 39 HG LEU 39 -0.356 4.908 -0.752 321 HD11 LEU 39 1HD1 LEU 39 -2.232 4.801 0.831 322 HD12 LEU 39 2HD1 LEU 39 -2.779 3.297 0.089 323 HD13 LEU 39 3HD1 LEU 39 -2.793 4.797 -0.841 324 HD21 LEU 39 3HD2 LEU 39 1.017 3.113 0.170 325 HD22 LEU 39 1HD2 LEU 39 -0.430 2.259 0.713 326 HD23 LEU 39 2HD2 LEU 39 -0.004 3.821 1.422 327 H ASP 40 H ASP 40 -3.019 5.758 -2.786 328 HA ASP 40 HA ASP 40 -1.098 7.574 -4.090 329 HB2 ASP 40 2HB ASP 40 -3.573 7.562 -4.728 330 HB3 ASP 40 3HB ASP 40 -3.924 8.206 -3.134 331 H ALA 41 H ALA 41 0.380 8.318 -2.743 332 HA ALA 41 HA ALA 41 -0.135 8.845 0.083 333 HB1 ALA 41 3HB ALA 41 2.360 9.340 -1.585 334 HB2 ALA 41 1HB ALA 41 2.039 7.913 -0.602 335 HB3 ALA 41 2HB ALA 41 2.255 9.483 0.173 336 H GLN 42 H GLN 42 -0.369 10.855 0.991 337 HA GLN 42 HA GLN 42 -1.122 13.118 -0.541 338 HB2 GLN 42 2HB GLN 42 -1.958 12.807 1.735 339 HB3 GLN 42 3HB GLN 42 -0.328 12.879 2.387 340 HG2 GLN 42 2HG GLN 42 -1.565 14.980 2.795 341 HG3 GLN 42 3HG GLN 42 -0.148 15.247 1.776 342 HE21 GLN 42 1HE2 GLN 42 -0.905 17.126 0.822 343 HE22 GLN 42 2HE2 GLN 42 -2.226 17.151 -0.291 344 H THR 43 H THR 43 1.903 12.099 0.929 345 HA THR 43 HA THR 43 3.425 13.922 -0.722 346 HB THR 43 HB THR 43 2.935 15.309 1.305 347 HG1 THR 43 HG1 THR 43 4.916 16.114 1.302 348 HG21 THR 43 3HG2 THR 43 3.928 14.772 3.481 349 HG22 THR 43 1HG2 THR 43 4.568 13.258 2.847 350 HG23 THR 43 2HG2 THR 43 2.823 13.482 2.998 351 H GLU 44 H GLU 44 5.808 13.477 -0.522 352 HA GLU 44 HA GLU 44 6.330 10.741 -0.899 353 HB2 GLU 44 2HB GLU 44 7.663 12.540 -1.957 354 HB3 GLU 44 3HB GLU 44 8.319 12.991 -0.387 355 HG2 GLU 44 2HG GLU 44 9.360 10.722 -0.210 356 HG3 GLU 44 3HG GLU 44 8.766 10.342 -1.823 357 H LYS 45 H LYS 45 6.850 12.890 1.852 358 HA LYS 45 HA LYS 45 8.402 11.195 3.462 359 HB2 LYS 45 2HB LYS 45 8.161 13.619 3.896 360 HB3 LYS 45 3HB LYS 45 6.463 13.394 4.300 361 HG2 LYS 45 2HG LYS 45 7.897 13.674 6.311 362 HG3 LYS 45 3HG LYS 45 7.054 12.125 6.302 363 HD2 LYS 45 2HD LYS 45 9.369 11.873 7.081 364 HD3 LYS 45 3HD LYS 45 9.126 11.000 5.567 365 HE2 LYS 45 2HE LYS 45 10.157 12.965 4.366 366 HE3 LYS 45 3HE LYS 45 10.522 13.673 5.943 367 HZ1 LYS 45 3HZ LYS 45 12.397 12.432 4.995 368 HZ2 LYS 45 1HZ LYS 45 11.473 11.016 5.015 369 HZ3 LYS 45 2HZ LYS 45 11.884 11.781 6.466 370 H GLU 46 H GLU 46 4.902 11.552 3.110 371 HA GLU 46 HA GLU 46 4.155 9.827 5.238 372 HB2 GLU 46 2HB GLU 46 2.747 11.629 3.838 373 HB3 GLU 46 3HB GLU 46 2.338 10.227 2.860 374 HG2 GLU 46 2HG GLU 46 0.608 10.593 4.515 375 HG3 GLU 46 3HG GLU 46 1.458 9.097 4.899 376 H ALA 47 H ALA 47 5.094 9.350 1.948 377 HA ALA 47 HA ALA 47 3.981 6.761 1.477 378 HB1 ALA 47 3HB ALA 47 4.608 8.266 -0.355 379 HB2 ALA 47 1HB ALA 47 5.445 6.722 -0.494 380 HB3 ALA 47 2HB ALA 47 6.307 8.143 0.107 381 H GLU 48 H GLU 48 6.832 7.928 3.091 382 HA GLU 48 HA GLU 48 8.459 5.578 2.949 383 HB2 GLU 48 2HB GLU 48 8.493 7.945 4.862 384 HB3 GLU 48 3HB GLU 48 9.756 6.717 4.793 385 HG2 GLU 48 2HG GLU 48 10.347 7.359 2.534 386 HG3 GLU 48 3HG GLU 48 8.974 8.455 2.438 387 H LYS 49 H LYS 49 6.005 6.699 5.239 388 HA LYS 49 HA LYS 49 6.483 4.543 7.155 389 HB2 LYS 49 2HB LYS 49 3.981 6.286 7.035 390 HB3 LYS 49 3HB LYS 49 4.516 5.294 8.373 391 HG2 LYS 49 2HG LYS 49 4.946 7.461 9.095 392 HG3 LYS 49 3HG LYS 49 6.526 6.918 8.519 393 HD2 LYS 49 2HD LYS 49 6.293 8.167 6.475 394 HD3 LYS 49 3HD LYS 49 4.598 8.507 6.801 395 HE2 LYS 49 2HE LYS 49 6.837 9.541 8.567 396 HE3 LYS 49 3HE LYS 49 6.195 10.434 7.187 397 HZ1 LYS 49 3HZ LYS 49 5.099 11.157 9.169 398 HZ2 LYS 49 1HZ LYS 49 4.678 9.572 9.587 399 HZ3 LYS 49 2HZ LYS 49 3.980 10.301 8.230 400 H MET 50 H MET 50 3.871 5.526 5.009 401 HA MET 50 HA MET 50 2.140 3.462 4.888 402 HB2 MET 50 2HB MET 50 3.138 5.127 2.560 403 HB3 MET 50 3HB MET 50 1.845 3.952 2.363 404 HG2 MET 50 2HG MET 50 0.484 5.159 4.010 405 HG3 MET 50 3HG MET 50 1.783 6.340 4.218 406 HE1 MET 50 3HE MET 50 -1.319 6.965 3.394 407 HE2 MET 50 1HE MET 50 -1.062 8.245 2.208 408 HE3 MET 50 2HE MET 50 -0.124 8.227 3.701 409 H GLU 51 H GLU 51 4.998 3.500 2.703 410 HA GLU 51 HA GLU 51 4.625 0.948 1.581 411 HB2 GLU 51 2HB GLU 51 6.788 1.230 0.629 412 HB3 GLU 51 3HB GLU 51 6.123 2.842 0.758 413 HG2 GLU 51 2HG GLU 51 7.481 3.268 2.750 414 HG3 GLU 51 3HG GLU 51 8.141 1.634 2.676 415 H LYS 52 H LYS 52 6.133 1.912 4.525 416 HA LYS 52 HA LYS 52 7.478 -0.568 5.164 417 HB2 LYS 52 2HB LYS 52 8.318 1.579 6.036 418 HB3 LYS 52 3HB LYS 52 6.822 1.827 6.932 419 HG2 LYS 52 2HG LYS 52 7.336 -0.137 8.340 420 HG3 LYS 52 3HG LYS 52 8.814 -0.417 7.424 421 HD2 LYS 52 2HD LYS 52 8.234 2.066 9.082 422 HD3 LYS 52 3HD LYS 52 9.240 0.714 9.595 423 HE2 LYS 52 2HE LYS 52 10.766 1.179 7.662 424 HE3 LYS 52 3HE LYS 52 9.790 2.598 7.280 425 HZ1 LYS 52 3HZ LYS 52 11.764 3.148 8.583 426 HZ2 LYS 52 1HZ LYS 52 11.227 2.154 9.839 427 HZ3 LYS 52 2HZ LYS 52 10.349 3.533 9.422 428 H ALA 53 H ALA 53 4.349 0.899 5.938 429 HA ALA 53 HA ALA 53 3.436 -1.110 7.755 430 HB1 ALA 53 3HB ALA 53 2.426 1.124 7.680 431 HB2 ALA 53 1HB ALA 53 1.209 -0.121 7.422 432 HB3 ALA 53 2HB ALA 53 1.815 0.818 6.053 433 H VAL 54 H VAL 54 3.320 -0.742 4.266 434 HA VAL 54 HA VAL 54 1.758 -3.012 3.586 435 HB VAL 54 HB VAL 54 4.066 -1.697 2.081 436 HG11 VAL 54 1HG1 VAL 54 3.169 -2.747 0.050 437 HG12 VAL 54 2HG1 VAL 54 1.965 -3.602 1.013 438 HG13 VAL 54 3HG1 VAL 54 3.680 -3.964 1.222 439 HG21 VAL 54 3HG2 VAL 54 2.318 -0.522 0.795 440 HG22 VAL 54 1HG2 VAL 54 2.216 -0.135 2.515 441 HG23 VAL 54 2HG2 VAL 54 1.072 -1.270 1.798 442 H LYS 55 H LYS 55 5.249 -2.562 4.076 443 HA LYS 55 HA LYS 55 6.125 -5.157 3.505 444 HB2 LYS 55 2HB LYS 55 7.353 -2.888 5.077 445 HB3 LYS 55 3HB LYS 55 8.191 -4.432 4.932 446 HG2 LYS 55 2HG LYS 55 8.221 -4.210 2.490 447 HG3 LYS 55 3HG LYS 55 7.348 -2.676 2.598 448 HD2 LYS 55 2HD LYS 55 9.194 -1.591 3.675 449 HD3 LYS 55 3HD LYS 55 10.031 -3.119 3.964 450 HE2 LYS 55 2HE LYS 55 9.518 -1.897 1.228 451 HE3 LYS 55 3HE LYS 55 11.047 -1.843 2.107 452 HZ1 LYS 55 3HZ LYS 55 11.055 -4.310 2.069 453 HZ2 LYS 55 1HZ LYS 55 11.132 -3.613 0.532 454 HZ3 LYS 55 2HZ LYS 55 9.681 -4.272 1.084 455 H LYS 56 H LYS 56 4.502 -4.054 6.352 456 HA LYS 56 HA LYS 56 5.362 -5.958 8.250 457 HB2 LYS 56 2HB LYS 56 2.571 -4.777 7.887 458 HB3 LYS 56 3HB LYS 56 3.110 -5.658 9.314 459 HG2 LYS 56 2HG LYS 56 4.772 -3.882 9.779 460 HG3 LYS 56 3HG LYS 56 4.202 -2.990 8.359 461 HD2 LYS 56 2HD LYS 56 1.912 -2.906 9.380 462 HD3 LYS 56 3HD LYS 56 2.549 -3.706 10.819 463 HE2 LYS 56 2HE LYS 56 4.033 -1.804 11.237 464 HE3 LYS 56 3HE LYS 56 3.461 -1.019 9.761 465 HZ1 LYS 56 3HZ LYS 56 2.334 -0.117 11.662 466 HZ2 LYS 56 1HZ LYS 56 1.836 -1.652 12.162 467 HZ3 LYS 56 2HZ LYS 56 1.225 -0.991 10.732 468 H VAL 57 H VAL 57 2.838 -6.068 5.769 469 HA VAL 57 HA VAL 57 1.957 -8.750 6.440 470 HB VAL 57 HB VAL 57 1.156 -7.040 4.036 471 HG11 VAL 57 1HG1 VAL 57 -0.317 -9.307 5.423 472 HG12 VAL 57 2HG1 VAL 57 0.532 -9.435 3.880 473 HG13 VAL 57 3HG1 VAL 57 -0.884 -8.394 4.023 474 HG21 VAL 57 3HG2 VAL 57 -0.761 -6.252 5.372 475 HG22 VAL 57 1HG2 VAL 57 0.771 -5.753 6.098 476 HG23 VAL 57 2HG2 VAL 57 -0.134 -7.104 6.784 477 H LYS 58 H LYS 58 4.301 -7.315 4.355 478 HA LYS 58 HA LYS 58 5.035 -9.800 3.148 479 HB2 LYS 58 2HB LYS 58 4.759 -9.112 0.766 480 HB3 LYS 58 3HB LYS 58 3.250 -9.374 1.618 481 HG2 LYS 58 2HG LYS 58 3.138 -6.810 1.901 482 HG3 LYS 58 3HG LYS 58 4.437 -6.741 0.709 483 HD2 LYS 58 2HD LYS 58 1.634 -7.854 0.324 484 HD3 LYS 58 3HD LYS 58 2.337 -6.441 -0.456 485 HE2 LYS 58 2HE LYS 58 3.295 -9.291 -0.890 486 HE3 LYS 58 3HE LYS 58 2.204 -8.412 -1.961 487 HZ1 LYS 58 3HZ LYS 58 4.988 -7.602 -1.315 488 HZ2 LYS 58 1HZ LYS 58 3.930 -6.783 -2.351 489 HZ3 LYS 58 2HZ LYS 58 4.473 -8.330 -2.749 490 HA PRO 59 HA PRO 59 8.644 -7.233 4.323 491 HB2 PRO 59 2HB PRO 59 10.062 -9.769 3.477 492 HB3 PRO 59 3HB PRO 59 10.243 -8.812 4.966 493 HG2 PRO 59 2HG PRO 59 8.905 -11.101 5.029 494 HG3 PRO 59 3HG PRO 59 8.314 -9.693 5.945 495 HD2 PRO 59 2HD PRO 59 7.308 -10.803 3.327 496 HD3 PRO 59 3HD PRO 59 6.394 -10.151 4.708 497 H ASN 60 H ASN 60 8.632 -9.215 1.360 498 HA ASN 60 HA ASN 60 10.825 -7.707 0.157 499 HB2 ASN 60 2HB ASN 60 9.249 -10.103 -0.874 500 HB3 ASN 60 3HB ASN 60 10.708 -9.453 -1.609 501 HD21 ASN 60 1HD2 ASN 60 12.723 -9.896 -0.638 502 HD22 ASN 60 2HD2 ASN 60 12.898 -11.077 0.616 503 H ALA 61 H ALA 61 7.998 -6.563 0.523 504 HA ALA 61 HA ALA 61 6.547 -6.428 -1.827 505 HB1 ALA 61 3HB ALA 61 5.542 -4.386 -0.906 506 HB2 ALA 61 1HB ALA 61 6.876 -4.220 0.243 507 HB3 ALA 61 2HB ALA 61 5.769 -5.587 0.367 508 H THR 62 H THR 62 7.281 -5.882 -3.780 509 HA THR 62 HA THR 62 9.365 -3.980 -4.331 510 HB THR 62 HB THR 62 7.425 -5.357 -6.244 511 HG1 THR 62 HG1 THR 62 8.933 -6.674 -4.819 512 HG21 THR 62 3HG2 THR 62 10.129 -4.059 -6.770 513 HG22 THR 62 1HG2 THR 62 8.561 -3.435 -7.298 514 HG23 THR 62 2HG2 THR 62 9.172 -4.958 -7.946 515 H ILE 63 H ILE 63 8.877 -1.911 -3.948 516 HA ILE 63 HA ILE 63 6.180 -0.832 -4.511 517 HB ILE 63 HB ILE 63 8.253 -0.000 -2.423 518 HG12 ILE 63 2HG1 ILE 63 5.529 -1.307 -1.984 519 HG13 ILE 63 3HG1 ILE 63 7.017 -2.229 -2.099 520 HG21 ILE 63 1HG2 ILE 63 6.972 1.961 -3.199 521 HG22 ILE 63 2HG2 ILE 63 6.517 1.536 -1.546 522 HG23 ILE 63 3HG2 ILE 63 5.455 1.106 -2.888 523 HD11 ILE 63 3HD1 ILE 63 6.509 -2.029 0.165 524 HD12 ILE 63 1HD1 ILE 63 6.211 -0.299 0.040 525 HD13 ILE 63 2HD1 ILE 63 7.852 -0.926 -0.127 526 H ARG 64 H ARG 64 6.123 0.483 -6.167 527 HA ARG 64 HA ARG 64 8.590 1.797 -7.166 528 HB2 ARG 64 2HB ARG 64 6.043 1.094 -8.696 529 HB3 ARG 64 3HB ARG 64 7.495 1.794 -9.388 530 HG2 ARG 64 2HG ARG 64 7.332 -0.960 -8.143 531 HG3 ARG 64 3HG ARG 64 7.200 -0.636 -9.865 532 HD2 ARG 64 2HD ARG 64 9.403 -1.360 -9.586 533 HD3 ARG 64 3HD ARG 64 9.574 0.396 -9.654 534 HE ARG 64 HE ARG 64 9.505 0.120 -7.058 535 HH11 ARG 64 1HH1 ARG 64 11.152 -2.067 -9.281 536 HH12 ARG 64 2HH1 ARG 64 12.339 -2.552 -8.110 537 HH21 ARG 64 1HH2 ARG 64 11.044 -0.554 -5.528 538 HH22 ARG 64 2HH2 ARG 64 12.271 -1.694 -5.994 539 H LYS 65 H LYS 65 8.627 3.959 -6.995 540 HA LYS 65 HA LYS 65 6.143 5.396 -6.230 541 HB2 LYS 65 2HB LYS 65 9.067 6.139 -5.768 542 HB3 LYS 65 3HB LYS 65 7.698 7.147 -5.318 543 HG2 LYS 65 2HG LYS 65 6.982 5.230 -3.776 544 HG3 LYS 65 3HG LYS 65 8.559 4.506 -4.108 545 HD2 LYS 65 2HD LYS 65 9.672 6.570 -3.266 546 HD3 LYS 65 3HD LYS 65 8.090 7.269 -2.908 547 HE2 LYS 65 2HE LYS 65 9.107 6.396 -0.871 548 HE3 LYS 65 3HE LYS 65 7.683 5.430 -1.279 549 HZ1 LYS 65 3HZ LYS 65 9.052 3.695 -2.092 550 HZ2 LYS 65 1HZ LYS 65 9.711 4.152 -0.610 551 HZ3 LYS 65 2HZ LYS 65 10.445 4.649 -2.046 552 H THR 66 H THR 66 5.325 5.995 -8.243 553 HA THR 66 HA THR 66 6.923 7.295 -10.253 554 HB THR 66 HB THR 66 3.887 7.270 -9.988 555 HG1 THR 66 HG1 THR 66 4.018 5.217 -10.435 556 HG21 THR 66 3HG2 THR 66 3.912 7.512 -12.433 557 HG22 THR 66 1HG2 THR 66 5.674 7.565 -12.427 558 HG23 THR 66 2HG2 THR 66 4.749 8.867 -11.674 559 H GLY 67 H GLY 67 7.078 9.489 -10.676 560 HA2 GLY 67 2HA GLY 67 6.838 11.787 -10.349 561 HA3 GLY 67 3HA GLY 67 5.764 11.481 -8.990 562 H GLY 68 H GLY 68 9.121 11.475 -10.028 563 HA2 GLY 68 2HA GLY 68 10.150 12.428 -7.542 564 HA3 GLY 68 3HA GLY 68 10.491 10.715 -7.754 565 H SER 69 H SER 69 10.727 13.820 -9.480 566 HA SER 69 HA SER 69 13.355 13.034 -10.570 567 HB2 SER 69 2HB SER 69 11.631 12.582 -12.315 568 HB3 SER 69 3HB SER 69 11.080 14.256 -12.211 569 HG SER 69 HG SER 69 12.873 14.929 -13.210 570 H LEU 70 H LEU 70 14.835 14.645 -10.378 571 HA LEU 70 HA LEU 70 14.043 17.145 -9.111 572 HB2 LEU 70 2HB LEU 70 16.809 16.035 -9.724 573 HB3 LEU 70 3HB LEU 70 16.500 17.540 -8.877 574 HG LEU 70 HG LEU 70 15.260 16.101 -7.113 575 HD11 LEU 70 1HD1 LEU 70 16.776 13.853 -8.460 576 HD12 LEU 70 2HD1 LEU 70 15.022 14.045 -8.396 577 HD13 LEU 70 3HD1 LEU 70 15.930 13.756 -6.914 578 HD21 LEU 70 3HD2 LEU 70 18.262 15.766 -7.374 579 HD22 LEU 70 1HD2 LEU 70 17.313 15.613 -5.892 580 HD23 LEU 70 2HD2 LEU 70 17.431 17.173 -6.704 581 H GLU 71 H GLU 71 13.000 18.177 -10.878 582 HA GLU 71 HA GLU 71 14.312 18.859 -13.328 583 HB2 GLU 71 2HB GLU 71 11.879 18.889 -13.195 584 HB3 GLU 71 3HB GLU 71 11.909 20.059 -11.881 585 HG2 GLU 71 2HG GLU 71 11.238 21.137 -13.953 586 HG3 GLU 71 3HG GLU 71 12.802 21.763 -13.431 587 H HIS 72 H HIS 72 15.716 20.480 -13.740 588 HA HIS 72 HA HIS 72 16.757 22.082 -11.533 589 HB2 HIS 72 2HB HIS 72 17.614 21.857 -14.454 590 HB3 HIS 72 3HB HIS 72 18.460 22.820 -13.249 591 HD1 HIS 72 HD1 HIS 72 20.088 21.620 -11.713 592 HD2 HIS 72 HD2 HIS 72 17.874 18.997 -14.067 593 HE1 HIS 72 HE1 HIS 72 21.139 19.362 -11.403 594 HE2 HIS 72 HE2 HIS 72 19.847 17.820 -12.909 595 H HIS 73 H HIS 73 15.108 22.593 -14.642 596 HA HIS 73 HA HIS 73 14.162 25.228 -13.903 597 HB2 HIS 73 2HB HIS 73 15.197 26.199 -16.127 598 HB3 HIS 73 3HB HIS 73 16.191 26.112 -14.685 599 HD1 HIS 73 HD1 HIS 73 18.459 25.258 -15.093 600 HD2 HIS 73 HD2 HIS 73 15.773 23.722 -17.868 601 HE1 HIS 73 HE1 HIS 73 19.828 23.893 -16.685 602 HE2 HIS 73 HE2 HIS 73 18.205 23.088 -18.419 603 H HIS 74 H HIS 74 12.051 24.559 -14.215 604 HA HIS 74 HA HIS 74 11.261 23.222 -16.694 605 HB2 HIS 74 2HB HIS 74 8.954 23.176 -15.652 606 HB3 HIS 74 3HB HIS 74 10.200 22.323 -14.762 607 HD1 HIS 74 HD1 HIS 74 10.650 23.051 -12.380 608 HD2 HIS 74 HD2 HIS 74 7.975 25.547 -14.354 609 HE1 HIS 74 HE1 HIS 74 9.628 24.488 -10.600 610 HE2 HIS 74 HE2 HIS 74 7.862 25.815 -11.791 611 H HIS 75 H HIS 75 12.221 25.403 -17.568 612 HA HIS 75 HA HIS 75 10.079 26.583 -19.032 613 HB2 HIS 75 2HB HIS 75 10.029 28.017 -16.962 614 HB3 HIS 75 3HB HIS 75 11.710 28.449 -17.243 615 HD1 HIS 75 HD1 HIS 75 8.242 29.019 -18.585 616 HD2 HIS 75 HD2 HIS 75 12.092 30.484 -19.155 617 HE1 HIS 75 HE1 HIS 75 7.987 31.070 -20.009 618 HE2 HIS 75 HE2 HIS 75 10.329 31.833 -20.471 619 H HIS 76 H HIS 76 11.025 26.166 -20.935 620 HA HIS 76 HA HIS 76 13.911 26.471 -21.297 621 HB2 HIS 76 2HB HIS 76 12.634 24.512 -22.273 622 HB3 HIS 76 3HB HIS 76 11.824 25.625 -23.367 623 HD1 HIS 76 HD1 HIS 76 13.295 26.711 -25.267 624 HD2 HIS 76 HD2 HIS 76 15.260 23.795 -23.042 625 HE1 HIS 76 HE1 HIS 76 15.388 26.196 -26.530 626 HE2 HIS 76 HE2 HIS 76 16.461 24.321 -25.258 627 H HIS 77 H HIS 77 14.868 27.993 -22.565 628 HA HIS 77 HA HIS 77 13.317 29.965 -24.052 629 HB2 HIS 77 2HB HIS 77 14.544 31.873 -22.869 630 HB3 HIS 77 3HB HIS 77 13.269 31.081 -21.947 631 HD1 HIS 77 HD1 HIS 77 16.887 31.879 -21.853 632 HD2 HIS 77 HD2 HIS 77 14.219 29.473 -19.767 633 HE1 HIS 77 HE1 HIS 77 18.053 31.272 -19.720 634 HE2 HIS 77 HE2 HIS 77 16.345 29.973 -18.405 Start of MODEL 9 1 H1 MET 1 1H MET 1 -0.364 12.021 -4.785 2 H2 MET 1 2H MET 1 -0.551 13.672 -4.480 3 H3 MET 1 3H MET 1 0.706 12.817 -3.746 4 HA MET 1 HA MET 1 0.397 13.333 -6.641 5 HB2 MET 1 2HB MET 1 2.323 14.839 -6.448 6 HB3 MET 1 3HB MET 1 1.071 15.344 -5.324 7 HG2 MET 1 2HG MET 1 2.307 14.339 -3.462 8 HG3 MET 1 3HG MET 1 3.546 13.770 -4.577 9 HE1 MET 1 3HE MET 1 2.829 18.234 -3.562 10 HE2 MET 1 1HE MET 1 1.980 16.906 -2.772 11 HE3 MET 1 2HE MET 1 1.649 17.282 -4.465 12 H VAL 2 H VAL 2 2.038 11.581 -4.075 13 HA VAL 2 HA VAL 2 3.921 10.284 -5.930 14 HB VAL 2 HB VAL 2 3.603 9.881 -2.910 15 HG11 VAL 2 1HG1 VAL 2 5.853 8.849 -3.003 16 HG12 VAL 2 2HG1 VAL 2 5.888 9.061 -4.754 17 HG13 VAL 2 3HG1 VAL 2 4.709 7.970 -4.022 18 HG21 VAL 2 3HG2 VAL 2 5.598 11.664 -4.369 19 HG22 VAL 2 1HG2 VAL 2 5.564 11.356 -2.630 20 HG23 VAL 2 2HG2 VAL 2 4.232 12.221 -3.398 21 H ASP 3 H ASP 3 3.046 8.604 -7.051 22 HA ASP 3 HA ASP 3 0.756 7.137 -5.944 23 HB2 ASP 3 2HB ASP 3 0.681 7.998 -8.300 24 HB3 ASP 3 3HB ASP 3 1.997 6.905 -8.712 25 H LEU 4 H LEU 4 0.995 5.268 -4.979 26 HA LEU 4 HA LEU 4 3.550 3.805 -5.026 27 HB2 LEU 4 2HB LEU 4 1.303 3.683 -2.958 28 HB3 LEU 4 3HB LEU 4 2.903 2.965 -2.814 29 HG LEU 4 HG LEU 4 2.248 5.942 -2.784 30 HD11 LEU 4 1HD1 LEU 4 3.020 5.897 -0.457 31 HD12 LEU 4 2HD1 LEU 4 3.242 4.146 -0.555 32 HD13 LEU 4 3HD1 LEU 4 1.627 4.845 -0.702 33 HD21 LEU 4 3HD2 LEU 4 4.944 4.581 -2.545 34 HD22 LEU 4 1HD2 LEU 4 4.631 6.303 -2.298 35 HD23 LEU 4 2HD2 LEU 4 4.384 5.585 -3.886 36 H LYS 5 H LYS 5 3.365 2.165 -6.524 37 HA LYS 5 HA LYS 5 0.990 0.404 -6.471 38 HB2 LYS 5 2HB LYS 5 3.306 0.526 -8.448 39 HB3 LYS 5 3HB LYS 5 1.946 -0.594 -8.547 40 HG2 LYS 5 2HG LYS 5 0.423 1.411 -8.759 41 HG3 LYS 5 3HG LYS 5 1.871 2.424 -8.857 42 HD2 LYS 5 2HD LYS 5 2.601 1.172 -10.870 43 HD3 LYS 5 3HD LYS 5 1.156 0.162 -10.775 44 HE2 LYS 5 2HE LYS 5 0.805 1.857 -12.468 45 HE3 LYS 5 3HE LYS 5 -0.230 2.235 -11.089 46 HZ1 LYS 5 3HZ LYS 5 2.369 3.513 -11.733 47 HZ2 LYS 5 1HZ LYS 5 1.425 3.864 -10.366 48 HZ3 LYS 5 2HZ LYS 5 0.843 4.210 -11.913 49 H ILE 6 H ILE 6 1.158 -1.319 -5.136 50 HA ILE 6 HA ILE 6 3.834 -2.477 -4.574 51 HB ILE 6 HB ILE 6 1.328 -2.735 -2.839 52 HG12 ILE 6 2HG1 ILE 6 2.823 -1.419 -1.122 53 HG13 ILE 6 3HG1 ILE 6 3.786 -0.948 -2.514 54 HG21 ILE 6 1HG2 ILE 6 2.825 -3.850 -1.207 55 HG22 ILE 6 2HG2 ILE 6 4.164 -3.724 -2.349 56 HG23 ILE 6 3HG2 ILE 6 2.765 -4.726 -2.737 57 HD11 ILE 6 3HD1 ILE 6 1.845 0.193 -3.468 58 HD12 ILE 6 1HD1 ILE 6 2.233 0.794 -1.857 59 HD13 ILE 6 2HD1 ILE 6 0.869 -0.300 -2.082 60 H ASP 7 H ASP 7 4.173 -4.324 -5.679 61 HA ASP 7 HA ASP 7 2.181 -5.910 -6.952 62 HB2 ASP 7 2HB ASP 7 5.067 -6.610 -6.226 63 HB3 ASP 7 3HB ASP 7 4.040 -7.576 -7.285 64 H VAL 8 H VAL 8 0.957 -7.568 -6.141 65 HA VAL 8 HA VAL 8 1.627 -8.750 -3.518 66 HB VAL 8 HB VAL 8 -0.892 -8.757 -2.987 67 HG11 VAL 8 1HG1 VAL 8 0.505 -6.057 -3.073 68 HG12 VAL 8 2HG1 VAL 8 0.663 -7.277 -1.806 69 HG13 VAL 8 3HG1 VAL 8 -0.883 -6.468 -2.060 70 HG21 VAL 8 3HG2 VAL 8 -2.275 -6.985 -4.056 71 HG22 VAL 8 1HG2 VAL 8 -1.783 -8.222 -5.212 72 HG23 VAL 8 2HG2 VAL 8 -0.969 -6.656 -5.196 73 H SER 9 H SER 9 1.345 -10.862 -3.402 74 HA SER 9 HA SER 9 1.182 -12.425 -5.758 75 HB2 SER 9 2HB SER 9 1.092 -13.341 -2.854 76 HB3 SER 9 3HB SER 9 1.555 -14.321 -4.252 77 HG SER 9 HG SER 9 3.055 -12.642 -2.769 78 H ASP 10 H ASP 10 -1.021 -12.009 -2.985 79 HA ASP 10 HA ASP 10 -3.069 -13.703 -4.307 80 HB2 ASP 10 2HB ASP 10 -2.999 -12.902 -1.374 81 HB3 ASP 10 3HB ASP 10 -4.007 -14.131 -2.117 82 H ASP 11 H ASP 11 -5.321 -13.109 -3.646 83 HA ASP 11 HA ASP 11 -5.902 -10.311 -4.289 84 HB2 ASP 11 2HB ASP 11 -8.215 -11.057 -4.608 85 HB3 ASP 11 3HB ASP 11 -7.119 -12.089 -5.506 86 H GLU 12 H GLU 12 -6.387 -12.671 -1.690 87 HA GLU 12 HA GLU 12 -7.728 -10.951 0.154 88 HB2 GLU 12 2HB GLU 12 -7.576 -13.547 0.145 89 HB3 GLU 12 3HB GLU 12 -6.013 -13.351 0.921 90 HG2 GLU 12 2HG GLU 12 -8.675 -12.389 2.044 91 HG3 GLU 12 3HG GLU 12 -7.874 -13.886 2.494 92 H GLU 13 H GLU 13 -4.328 -11.926 -0.260 93 HA GLU 13 HA GLU 13 -3.143 -10.469 1.830 94 HB2 GLU 13 2HB GLU 13 -2.007 -12.238 0.547 95 HB3 GLU 13 3HB GLU 13 -2.031 -11.228 -0.893 96 HG2 GLU 13 2HG GLU 13 -0.542 -9.591 0.308 97 HG3 GLU 13 3HG GLU 13 -0.448 -10.738 1.649 98 H ALA 14 H ALA 14 -4.037 -9.524 -1.455 99 HA ALA 14 HA ALA 14 -2.966 -6.944 -1.598 100 HB1 ALA 14 3HB ALA 14 -3.993 -8.120 -3.521 101 HB2 ALA 14 1HB ALA 14 -4.689 -6.509 -3.296 102 HB3 ALA 14 2HB ALA 14 -5.582 -7.941 -2.779 103 H GLU 15 H GLU 15 -6.061 -8.109 -0.315 104 HA GLU 15 HA GLU 15 -7.119 -5.583 0.451 105 HB2 GLU 15 2HB GLU 15 -7.834 -8.415 1.321 106 HB3 GLU 15 3HB GLU 15 -8.797 -6.985 1.701 107 HG2 GLU 15 2HG GLU 15 -9.273 -6.602 -0.637 108 HG3 GLU 15 3HG GLU 15 -8.149 -7.868 -1.126 109 H LYS 16 H LYS 16 -5.077 -7.969 2.101 110 HA LYS 16 HA LYS 16 -5.217 -6.888 4.714 111 HB2 LYS 16 2HB LYS 16 -3.236 -8.690 3.313 112 HB3 LYS 16 3HB LYS 16 -2.816 -8.031 4.887 113 HG2 LYS 16 2HG LYS 16 -5.272 -9.728 4.312 114 HG3 LYS 16 3HG LYS 16 -3.765 -10.313 5.032 115 HD2 LYS 16 2HD LYS 16 -4.111 -8.627 6.904 116 HD3 LYS 16 3HD LYS 16 -5.695 -8.270 6.208 117 HE2 LYS 16 2HE LYS 16 -4.804 -10.981 7.269 118 HE3 LYS 16 3HE LYS 16 -5.858 -9.845 8.110 119 HZ1 LYS 16 3HZ LYS 16 -7.473 -10.082 6.311 120 HZ2 LYS 16 1HZ LYS 16 -7.136 -11.579 7.027 121 HZ3 LYS 16 2HZ LYS 16 -6.469 -11.188 5.524 122 H ILE 17 H ILE 17 -3.285 -5.986 1.896 123 HA ILE 17 HA ILE 17 -1.539 -4.120 3.195 124 HB ILE 17 HB ILE 17 -2.513 -4.015 0.306 125 HG12 ILE 17 2HG1 ILE 17 -1.538 -6.245 0.774 126 HG13 ILE 17 3HG1 ILE 17 -0.542 -5.332 -0.347 127 HG21 ILE 17 1HG2 ILE 17 -0.400 -2.802 -0.158 128 HG22 ILE 17 2HG2 ILE 17 -0.008 -2.835 1.563 129 HG23 ILE 17 3HG2 ILE 17 -1.418 -1.939 0.996 130 HD11 ILE 17 3HD1 ILE 17 0.791 -6.571 1.227 131 HD12 ILE 17 1HD1 ILE 17 0.008 -5.757 2.579 132 HD13 ILE 17 2HD1 ILE 17 1.019 -4.839 1.460 133 H ILE 18 H ILE 18 -4.653 -3.895 1.562 134 HA ILE 18 HA ILE 18 -4.984 -1.081 1.546 135 HB ILE 18 HB ILE 18 -7.026 -3.337 1.368 136 HG12 ILE 18 2HG1 ILE 18 -5.796 -1.583 -0.811 137 HG13 ILE 18 3HG1 ILE 18 -5.347 -3.250 -0.472 138 HG21 ILE 18 1HG2 ILE 18 -7.511 -0.387 0.812 139 HG22 ILE 18 2HG2 ILE 18 -8.202 -1.326 2.137 140 HG23 ILE 18 3HG2 ILE 18 -8.647 -1.696 0.473 141 HD11 ILE 18 3HD1 ILE 18 -6.752 -3.154 -2.407 142 HD12 ILE 18 1HD1 ILE 18 -8.004 -2.282 -1.524 143 HD13 ILE 18 2HD1 ILE 18 -7.628 -3.957 -1.106 144 H ARG 19 H ARG 19 -6.391 -3.566 3.687 145 HA ARG 19 HA ARG 19 -7.794 -1.956 5.475 146 HB2 ARG 19 2HB ARG 19 -6.471 -4.654 5.968 147 HB3 ARG 19 3HB ARG 19 -7.654 -3.916 7.043 148 HG2 ARG 19 2HG ARG 19 -8.193 -4.755 4.173 149 HG3 ARG 19 3HG ARG 19 -8.593 -5.708 5.603 150 HD2 ARG 19 2HD ARG 19 -10.123 -3.903 6.355 151 HD3 ARG 19 3HD ARG 19 -9.740 -2.982 4.892 152 HE ARG 19 HE ARG 19 -10.551 -5.255 3.802 153 HH11 ARG 19 1HH1 ARG 19 -12.085 -3.497 6.451 154 HH12 ARG 19 2HH1 ARG 19 -13.671 -4.069 6.056 155 HH21 ARG 19 1HH2 ARG 19 -12.614 -6.003 3.319 156 HH22 ARG 19 2HH2 ARG 19 -13.972 -5.496 4.272 157 H GLU 20 H GLU 20 -4.414 -3.054 5.512 158 HA GLU 20 HA GLU 20 -3.567 -2.134 8.014 159 HB2 GLU 20 2HB GLU 20 -2.183 -3.614 6.660 160 HB3 GLU 20 3HB GLU 20 -2.060 -2.416 5.384 161 HG2 GLU 20 2HG GLU 20 0.032 -2.604 6.656 162 HG3 GLU 20 3HG GLU 20 -0.668 -0.990 6.778 163 H ILE 21 H ILE 21 -3.456 -0.487 4.843 164 HA ILE 21 HA ILE 21 -2.394 1.971 5.808 165 HB ILE 21 HB ILE 21 -3.862 1.376 3.201 166 HG12 ILE 21 2HG1 ILE 21 -1.809 0.027 3.425 167 HG13 ILE 21 3HG1 ILE 21 -1.575 1.259 2.193 168 HG21 ILE 21 1HG2 ILE 21 -2.175 3.801 3.922 169 HG22 ILE 21 2HG2 ILE 21 -3.915 3.785 3.635 170 HG23 ILE 21 3HG2 ILE 21 -2.806 3.439 2.310 171 HD11 ILE 21 3HD1 ILE 21 0.399 0.998 3.540 172 HD12 ILE 21 1HD1 ILE 21 -0.508 1.326 5.014 173 HD13 ILE 21 2HD1 ILE 21 -0.288 2.598 3.807 174 H ARG 22 H ARG 22 -5.710 0.811 5.306 175 HA ARG 22 HA ARG 22 -7.129 3.221 5.486 176 HB2 ARG 22 2HB ARG 22 -7.945 0.405 6.278 177 HB3 ARG 22 3HB ARG 22 -9.066 1.762 6.303 178 HG2 ARG 22 2HG ARG 22 -8.811 2.042 3.878 179 HG3 ARG 22 3HG ARG 22 -7.647 0.716 3.832 180 HD2 ARG 22 2HD ARG 22 -9.788 -0.161 3.127 181 HD3 ARG 22 3HD ARG 22 -9.442 -0.814 4.728 182 HE ARG 22 HE ARG 22 -11.478 1.198 4.026 183 HH11 ARG 22 1HH1 ARG 22 -10.052 -0.799 6.566 184 HH12 ARG 22 2HH1 ARG 22 -11.370 -0.544 7.666 185 HH21 ARG 22 1HH2 ARG 22 -13.185 1.503 5.476 186 HH22 ARG 22 2HH2 ARG 22 -13.145 0.761 7.047 187 H GLU 23 H GLU 23 -5.903 1.082 8.039 188 HA GLU 23 HA GLU 23 -7.423 2.290 10.158 189 HB2 GLU 23 2HB GLU 23 -5.022 0.417 10.248 190 HB3 GLU 23 3HB GLU 23 -5.965 0.897 11.660 191 HG2 GLU 23 2HG GLU 23 -6.952 -0.726 9.288 192 HG3 GLU 23 3HG GLU 23 -6.624 -1.323 10.914 193 H GLN 24 H GLN 24 -4.008 2.411 9.143 194 HA GLN 24 HA GLN 24 -3.173 4.234 11.180 195 HB2 GLN 24 2HB GLN 24 -1.787 3.624 8.544 196 HB3 GLN 24 3HB GLN 24 -1.033 4.214 10.016 197 HG2 GLN 24 2HG GLN 24 -2.366 1.499 9.834 198 HG3 GLN 24 3HG GLN 24 -0.681 1.751 9.393 199 HE21 GLN 24 1HE2 GLN 24 -0.058 0.260 11.000 200 HE22 GLN 24 2HE2 GLN 24 -0.046 0.682 12.678 201 H TRP 25 H TRP 25 -3.575 4.655 7.626 202 HA TRP 25 HA TRP 25 -4.222 7.535 7.993 203 HB2 TRP 25 2HB TRP 25 -3.186 6.173 5.461 204 HB3 TRP 25 3HB TRP 25 -3.470 7.901 5.670 205 HD1 TRP 25 HD1 TRP 25 -1.625 9.284 7.065 206 HE1 TRP 25 HE1 TRP 25 0.754 8.702 7.835 207 HE3 TRP 25 HE3 TRP 25 -1.680 4.254 6.150 208 HZ2 TRP 25 HZ2 TRP 25 2.381 6.420 8.056 209 HZ3 TRP 25 HZ3 TRP 25 0.330 2.935 6.683 210 HH2 TRP 25 HH2 TRP 25 2.319 4.003 7.615 211 HA PRO 26 HA PRO 26 -8.298 5.754 6.574 212 HB2 PRO 26 2HB PRO 26 -9.341 8.187 7.966 213 HB3 PRO 26 3HB PRO 26 -9.813 6.488 8.178 214 HG2 PRO 26 2HG PRO 26 -8.409 7.780 10.066 215 HG3 PRO 26 3HG PRO 26 -8.123 6.058 9.711 216 HD2 PRO 26 2HD PRO 26 -6.522 8.457 8.819 217 HD3 PRO 26 3HD PRO 26 -5.951 6.892 9.446 218 H LYS 27 H LYS 27 -6.949 9.020 6.518 219 HA LYS 27 HA LYS 27 -8.544 10.023 4.349 220 HB2 LYS 27 2HB LYS 27 -6.030 11.225 5.576 221 HB3 LYS 27 3HB LYS 27 -7.311 12.072 4.713 222 HG2 LYS 27 2HG LYS 27 -7.605 10.744 7.432 223 HG3 LYS 27 3HG LYS 27 -7.347 12.466 7.160 224 HD2 LYS 27 2HD LYS 27 -9.513 12.536 5.884 225 HD3 LYS 27 3HD LYS 27 -9.778 10.839 6.306 226 HE2 LYS 27 2HE LYS 27 -11.027 12.297 7.829 227 HE3 LYS 27 3HE LYS 27 -9.753 11.460 8.718 228 HZ1 LYS 27 3HZ LYS 27 -9.619 14.261 7.721 229 HZ2 LYS 27 1HZ LYS 27 -8.402 13.469 8.589 230 HZ3 LYS 27 2HZ LYS 27 -9.887 13.800 9.322 231 H ALA 28 H ALA 28 -6.947 7.630 3.622 232 HA ALA 28 HA ALA 28 -4.706 8.656 1.979 233 HB1 ALA 28 3HB ALA 28 -4.093 6.818 3.525 234 HB2 ALA 28 1HB ALA 28 -3.979 6.289 1.846 235 HB3 ALA 28 2HB ALA 28 -5.359 5.801 2.835 236 H THR 29 H THR 29 -4.668 7.684 -0.345 237 HA THR 29 HA THR 29 -7.466 7.703 -1.329 238 HB THR 29 HB THR 29 -4.934 8.412 -2.894 239 HG1 THR 29 HG1 THR 29 -5.052 10.066 -1.527 240 HG21 THR 29 3HG2 THR 29 -6.525 9.471 -4.477 241 HG22 THR 29 1HG2 THR 29 -7.882 8.927 -3.484 242 HG23 THR 29 2HG2 THR 29 -6.860 7.747 -4.308 243 H VAL 30 H VAL 30 -8.024 5.594 -1.582 244 HA VAL 30 HA VAL 30 -6.009 3.634 -2.544 245 HB VAL 30 HB VAL 30 -8.351 3.053 -0.670 246 HG11 VAL 30 1HG1 VAL 30 -7.264 0.853 -0.340 247 HG12 VAL 30 2HG1 VAL 30 -6.014 1.292 -1.504 248 HG13 VAL 30 3HG1 VAL 30 -7.687 1.112 -2.034 249 HG21 VAL 30 3HG2 VAL 30 -5.409 3.323 0.076 250 HG22 VAL 30 1HG2 VAL 30 -6.709 2.817 1.160 251 HG23 VAL 30 2HG2 VAL 30 -6.690 4.457 0.510 252 H THR 31 H THR 31 -6.487 2.822 -4.456 253 HA THR 31 HA THR 31 -9.288 2.427 -5.343 254 HB THR 31 HB THR 31 -6.720 2.698 -6.982 255 HG1 THR 31 HG1 THR 31 -8.483 4.522 -6.046 256 HG21 THR 31 3HG2 THR 31 -8.328 1.180 -8.108 257 HG22 THR 31 1HG2 THR 31 -8.147 2.702 -8.985 258 HG23 THR 31 2HG2 THR 31 -9.577 2.423 -7.990 259 H ARG 32 H ARG 32 -9.870 0.248 -5.995 260 HA ARG 32 HA ARG 32 -8.172 -1.818 -4.828 261 HB2 ARG 32 2HB ARG 32 -10.565 -1.765 -4.241 262 HB3 ARG 32 3HB ARG 32 -11.015 -1.896 -5.932 263 HG2 ARG 32 2HG ARG 32 -11.317 -4.034 -4.751 264 HG3 ARG 32 3HG ARG 32 -10.111 -4.179 -6.029 265 HD2 ARG 32 2HD ARG 32 -8.307 -4.058 -4.378 266 HD3 ARG 32 3HD ARG 32 -9.477 -3.805 -3.084 267 HE ARG 32 HE ARG 32 -10.310 -6.088 -3.556 268 HH11 ARG 32 1HH1 ARG 32 -7.029 -5.309 -4.612 269 HH12 ARG 32 2HH1 ARG 32 -6.498 -6.953 -4.559 270 HH21 ARG 32 1HH2 ARG 32 -9.554 -8.237 -3.435 271 HH22 ARG 32 2HH2 ARG 32 -7.927 -8.611 -3.889 272 H THR 33 H THR 33 -6.958 -3.134 -6.034 273 HA THR 33 HA THR 33 -7.584 -3.742 -8.786 274 HB THR 33 HB THR 33 -6.154 -1.878 -9.244 275 HG1 THR 33 HG1 THR 33 -5.688 -3.749 -10.472 276 HG21 THR 33 3HG2 THR 33 -3.880 -1.604 -8.321 277 HG22 THR 33 1HG2 THR 33 -4.131 -3.012 -7.288 278 HG23 THR 33 2HG2 THR 33 -5.101 -1.559 -7.050 279 H ASN 34 H ASN 34 -6.847 -5.779 -9.343 280 HA ASN 34 HA ASN 34 -5.808 -7.477 -7.150 281 HB2 ASN 34 2HB ASN 34 -7.889 -8.207 -8.333 282 HB3 ASN 34 3HB ASN 34 -6.989 -8.313 -9.843 283 HD21 ASN 34 1HD2 ASN 34 -7.445 -10.525 -10.055 284 HD22 ASN 34 2HD2 ASN 34 -6.704 -11.726 -9.058 285 H GLY 35 H GLY 35 -3.719 -8.109 -7.142 286 HA2 GLY 35 2HA GLY 35 -1.737 -9.017 -8.135 287 HA3 GLY 35 3HA GLY 35 -2.112 -8.186 -9.636 288 H ASP 36 H ASP 36 -2.782 -5.693 -8.254 289 HA ASP 36 HA ASP 36 -0.142 -4.780 -7.242 290 HB2 ASP 36 2HB ASP 36 -2.107 -3.233 -9.012 291 HB3 ASP 36 3HB ASP 36 -0.659 -2.544 -8.286 292 H ILE 37 H ILE 37 -0.398 -2.711 -5.985 293 HA ILE 37 HA ILE 37 -3.056 -2.328 -4.708 294 HB ILE 37 HB ILE 37 -0.314 -1.884 -3.433 295 HG12 ILE 37 2HG1 ILE 37 -1.028 -4.240 -3.399 296 HG13 ILE 37 3HG1 ILE 37 -1.067 -3.572 -1.773 297 HG21 ILE 37 1HG2 ILE 37 -1.509 -1.108 -1.401 298 HG22 ILE 37 2HG2 ILE 37 -3.046 -1.208 -2.265 299 HG23 ILE 37 3HG2 ILE 37 -1.822 -0.045 -2.775 300 HD11 ILE 37 3HD1 ILE 37 -3.509 -3.309 -1.966 301 HD12 ILE 37 1HD1 ILE 37 -2.971 -4.975 -2.154 302 HD13 ILE 37 2HD1 ILE 37 -3.439 -4.043 -3.573 303 H LYS 38 H LYS 38 -3.907 -0.356 -5.084 304 HA LYS 38 HA LYS 38 -2.210 1.674 -6.409 305 HB2 LYS 38 2HB LYS 38 -4.369 0.522 -7.496 306 HB3 LYS 38 3HB LYS 38 -5.240 1.688 -6.517 307 HG2 LYS 38 2HG LYS 38 -4.961 2.551 -8.763 308 HG3 LYS 38 3HG LYS 38 -4.009 3.523 -7.633 309 HD2 LYS 38 2HD LYS 38 -1.954 2.415 -8.308 310 HD3 LYS 38 3HD LYS 38 -2.847 1.268 -9.313 311 HE2 LYS 38 2HE LYS 38 -1.795 3.023 -10.682 312 HE3 LYS 38 3HE LYS 38 -3.553 3.109 -10.794 313 HZ1 LYS 38 3HZ LYS 38 -1.820 4.845 -9.113 314 HZ2 LYS 38 1HZ LYS 38 -3.509 4.926 -9.158 315 HZ3 LYS 38 2HZ LYS 38 -2.603 5.304 -10.537 316 H LEU 39 H LEU 39 -1.549 3.096 -4.958 317 HA LEU 39 HA LEU 39 -3.392 4.267 -2.971 318 HB2 LEU 39 2HB LEU 39 -2.043 2.499 -1.844 319 HB3 LEU 39 3HB LEU 39 -0.565 3.246 -2.425 320 HG LEU 39 HG LEU 39 -1.006 5.243 -1.003 321 HD11 LEU 39 1HD1 LEU 39 -3.441 5.197 -0.958 322 HD12 LEU 39 2HD1 LEU 39 -2.781 5.248 0.674 323 HD13 LEU 39 3HD1 LEU 39 -3.418 3.731 0.030 324 HD21 LEU 39 3HD2 LEU 39 -1.055 2.638 0.549 325 HD22 LEU 39 1HD2 LEU 39 -0.545 4.211 1.172 326 HD23 LEU 39 2HD2 LEU 39 0.375 3.435 -0.114 327 H ASP 40 H ASP 40 -2.909 6.438 -2.503 328 HA ASP 40 HA ASP 40 -0.615 7.693 -3.885 329 HB2 ASP 40 2HB ASP 40 -2.645 8.247 -5.188 330 HB3 ASP 40 3HB ASP 40 -3.415 8.886 -3.740 331 H ALA 41 H ALA 41 0.593 8.821 -2.612 332 HA ALA 41 HA ALA 41 -0.273 9.661 0.090 333 HB1 ALA 41 3HB ALA 41 1.682 8.160 0.029 334 HB2 ALA 41 1HB ALA 41 2.137 9.754 0.637 335 HB3 ALA 41 2HB ALA 41 2.540 9.289 -1.019 336 H GLN 42 H GLN 42 0.129 11.762 0.808 337 HA GLN 42 HA GLN 42 -0.116 13.921 -0.998 338 HB2 GLN 42 2HB GLN 42 -1.030 14.065 1.241 339 HB3 GLN 42 3HB GLN 42 0.545 13.795 1.963 340 HG2 GLN 42 2HG GLN 42 0.134 16.081 2.285 341 HG3 GLN 42 3HG GLN 42 1.255 16.024 0.938 342 HE21 GLN 42 1HE2 GLN 42 -1.056 15.320 -0.957 343 HE22 GLN 42 2HE2 GLN 42 -1.833 16.831 -1.195 344 H THR 43 H THR 43 2.621 12.531 0.677 345 HA THR 43 HA THR 43 4.568 14.049 -0.875 346 HB THR 43 HB THR 43 4.362 15.572 0.973 347 HG1 THR 43 HG1 THR 43 6.507 15.271 0.591 348 HG21 THR 43 3HG2 THR 43 4.479 14.934 3.345 349 HG22 THR 43 1HG2 THR 43 4.588 13.230 2.893 350 HG23 THR 43 2HG2 THR 43 3.117 14.143 2.550 351 H GLU 44 H GLU 44 6.771 13.156 -0.563 352 HA GLU 44 HA GLU 44 6.964 10.347 -0.470 353 HB2 GLU 44 2HB GLU 44 9.110 12.466 -0.076 354 HB3 GLU 44 3HB GLU 44 9.441 10.751 -0.284 355 HG2 GLU 44 2HG GLU 44 8.062 12.500 -2.329 356 HG3 GLU 44 3HG GLU 44 9.781 12.121 -2.334 357 H LYS 45 H LYS 45 7.297 12.830 1.993 358 HA LYS 45 HA LYS 45 8.510 11.381 4.076 359 HB2 LYS 45 2HB LYS 45 6.539 13.698 4.281 360 HB3 LYS 45 3HB LYS 45 7.633 13.170 5.558 361 HG2 LYS 45 2HG LYS 45 8.445 14.359 2.879 362 HG3 LYS 45 3HG LYS 45 8.460 15.188 4.442 363 HD2 LYS 45 2HD LYS 45 10.188 13.638 5.275 364 HD3 LYS 45 3HD LYS 45 10.144 12.738 3.755 365 HE2 LYS 45 2HE LYS 45 10.939 14.754 2.558 366 HE3 LYS 45 3HE LYS 45 11.010 15.626 4.094 367 HZ1 LYS 45 3HZ LYS 45 13.162 14.713 3.364 368 HZ2 LYS 45 1HZ LYS 45 12.535 13.152 3.503 369 HZ3 LYS 45 2HZ LYS 45 12.682 14.132 4.874 370 H GLU 46 H GLU 46 5.171 11.566 3.017 371 HA GLU 46 HA GLU 46 4.104 10.051 5.269 372 HB2 GLU 46 2HB GLU 46 2.780 11.889 4.263 373 HB3 GLU 46 3HB GLU 46 2.806 11.067 2.706 374 HG2 GLU 46 2HG GLU 46 1.451 9.237 3.604 375 HG3 GLU 46 3HG GLU 46 1.485 9.962 5.213 376 H ALA 47 H ALA 47 4.854 9.674 1.825 377 HA ALA 47 HA ALA 47 3.917 7.099 1.321 378 HB1 ALA 47 3HB ALA 47 6.312 8.459 0.053 379 HB2 ALA 47 1HB ALA 47 4.628 8.688 -0.430 380 HB3 ALA 47 2HB ALA 47 5.392 7.111 -0.627 381 H GLU 48 H GLU 48 6.911 8.118 2.870 382 HA GLU 48 HA GLU 48 8.392 5.725 2.762 383 HB2 GLU 48 2HB GLU 48 8.391 7.960 4.834 384 HB3 GLU 48 3HB GLU 48 9.549 6.634 4.855 385 HG2 GLU 48 2HG GLU 48 9.250 8.717 2.674 386 HG3 GLU 48 3HG GLU 48 10.518 8.662 3.892 387 H LYS 49 H LYS 49 6.079 6.960 5.107 388 HA LYS 49 HA LYS 49 6.347 4.766 6.970 389 HB2 LYS 49 2HB LYS 49 4.289 7.013 6.865 390 HB3 LYS 49 3HB LYS 49 4.678 6.013 8.268 391 HG2 LYS 49 2HG LYS 49 6.924 6.968 8.374 392 HG3 LYS 49 3HG LYS 49 6.636 7.890 6.894 393 HD2 LYS 49 2HD LYS 49 4.841 9.166 8.082 394 HD3 LYS 49 3HD LYS 49 5.219 8.276 9.564 395 HE2 LYS 49 2HE LYS 49 7.538 9.186 9.475 396 HE3 LYS 49 3HE LYS 49 7.100 10.121 8.043 397 HZ1 LYS 49 3HZ LYS 49 5.952 10.408 10.766 398 HZ2 LYS 49 1HZ LYS 49 5.424 11.255 9.401 399 HZ3 LYS 49 2HZ LYS 49 6.991 11.488 9.988 400 H MET 50 H MET 50 3.932 5.909 4.701 401 HA MET 50 HA MET 50 1.911 4.024 4.829 402 HB2 MET 50 2HB MET 50 2.948 5.536 2.425 403 HB3 MET 50 3HB MET 50 1.654 4.362 2.234 404 HG2 MET 50 2HG MET 50 0.348 5.647 3.961 405 HG3 MET 50 3HG MET 50 1.593 6.899 3.871 406 HE1 MET 50 3HE MET 50 -1.731 8.078 1.878 407 HE2 MET 50 1HE MET 50 -0.786 8.364 3.339 408 HE3 MET 50 2HE MET 50 -1.722 6.877 3.169 409 H GLU 51 H GLU 51 4.587 3.797 2.464 410 HA GLU 51 HA GLU 51 4.140 1.143 1.718 411 HB2 GLU 51 2HB GLU 51 6.214 1.253 0.551 412 HB3 GLU 51 3HB GLU 51 5.561 2.879 0.505 413 HG2 GLU 51 2HG GLU 51 7.098 3.610 2.215 414 HG3 GLU 51 3HG GLU 51 7.658 1.969 2.500 415 H LYS 52 H LYS 52 5.832 2.448 4.496 416 HA LYS 52 HA LYS 52 7.408 0.193 5.203 417 HB2 LYS 52 2HB LYS 52 7.792 2.541 5.974 418 HB3 LYS 52 3HB LYS 52 6.350 2.425 6.973 419 HG2 LYS 52 2HG LYS 52 7.431 0.677 8.339 420 HG3 LYS 52 3HG LYS 52 8.874 0.769 7.321 421 HD2 LYS 52 2HD LYS 52 9.145 3.165 7.966 422 HD3 LYS 52 3HD LYS 52 7.737 3.033 9.021 423 HE2 LYS 52 2HE LYS 52 9.760 2.881 10.353 424 HE3 LYS 52 3HE LYS 52 8.958 1.312 10.352 425 HZ1 LYS 52 3HZ LYS 52 10.539 0.490 8.773 426 HZ2 LYS 52 1HZ LYS 52 11.393 1.200 10.048 427 HZ3 LYS 52 2HZ LYS 52 11.233 2.020 8.580 428 H ALA 53 H ALA 53 4.166 1.298 6.163 429 HA ALA 53 HA ALA 53 3.513 -0.742 7.999 430 HB1 ALA 53 3HB ALA 53 1.177 -0.050 7.654 431 HB2 ALA 53 1HB ALA 53 1.648 0.861 6.216 432 HB3 ALA 53 2HB ALA 53 2.235 1.353 7.807 433 H VAL 54 H VAL 54 3.128 -0.530 4.491 434 HA VAL 54 HA VAL 54 1.826 -2.932 3.894 435 HB VAL 54 HB VAL 54 3.985 -1.461 2.316 436 HG11 VAL 54 1HG1 VAL 54 2.022 -3.532 1.292 437 HG12 VAL 54 2HG1 VAL 54 3.768 -3.731 1.441 438 HG13 VAL 54 3HG1 VAL 54 3.114 -2.566 0.292 439 HG21 VAL 54 3HG2 VAL 54 2.066 -0.019 2.796 440 HG22 VAL 54 1HG2 VAL 54 0.961 -1.226 2.138 441 HG23 VAL 54 2HG2 VAL 54 2.113 -0.412 1.076 442 H LYS 55 H LYS 55 5.310 -2.268 4.197 443 HA LYS 55 HA LYS 55 6.409 -4.737 3.628 444 HB2 LYS 55 2HB LYS 55 7.480 -2.728 5.638 445 HB3 LYS 55 3HB LYS 55 8.409 -4.039 4.917 446 HG2 LYS 55 2HG LYS 55 8.256 -3.017 2.717 447 HG3 LYS 55 3HG LYS 55 7.150 -1.786 3.325 448 HD2 LYS 55 2HD LYS 55 9.083 -1.149 4.955 449 HD3 LYS 55 3HD LYS 55 10.107 -2.100 3.879 450 HE2 LYS 55 2HE LYS 55 8.461 0.333 3.084 451 HE3 LYS 55 3HE LYS 55 10.203 0.311 3.351 452 HZ1 LYS 55 3HZ LYS 55 10.455 -1.164 1.477 453 HZ2 LYS 55 1HZ LYS 55 9.621 0.227 1.001 454 HZ3 LYS 55 2HZ LYS 55 8.786 -1.222 1.236 455 H LYS 56 H LYS 56 4.693 -3.921 6.595 456 HA LYS 56 HA LYS 56 5.657 -6.029 8.254 457 HB2 LYS 56 2HB LYS 56 3.083 -4.426 8.266 458 HB3 LYS 56 3HB LYS 56 3.251 -5.800 9.338 459 HG2 LYS 56 2HG LYS 56 3.741 -3.820 10.579 460 HG3 LYS 56 3HG LYS 56 5.240 -4.732 10.371 461 HD2 LYS 56 2HD LYS 56 5.911 -3.204 8.548 462 HD3 LYS 56 3HD LYS 56 4.406 -2.303 8.742 463 HE2 LYS 56 2HE LYS 56 5.067 -1.561 10.945 464 HE3 LYS 56 3HE LYS 56 6.486 -2.616 10.929 465 HZ1 LYS 56 3HZ LYS 56 6.004 -0.315 9.121 466 HZ2 LYS 56 1HZ LYS 56 7.352 -1.342 9.075 467 HZ3 LYS 56 2HZ LYS 56 7.085 -0.358 10.422 468 H VAL 57 H VAL 57 3.057 -5.859 5.860 469 HA VAL 57 HA VAL 57 2.057 -8.536 6.267 470 HB VAL 57 HB VAL 57 1.650 -6.749 3.821 471 HG11 VAL 57 1HG1 VAL 57 -0.060 -9.021 4.902 472 HG12 VAL 57 2HG1 VAL 57 0.929 -9.067 3.443 473 HG13 VAL 57 3HG1 VAL 57 -0.477 -8.003 3.518 474 HG21 VAL 57 3HG2 VAL 57 1.023 -5.481 5.839 475 HG22 VAL 57 1HG2 VAL 57 -0.021 -6.806 6.364 476 HG23 VAL 57 2HG2 VAL 57 -0.414 -5.898 4.900 477 H LYS 58 H LYS 58 4.639 -7.104 4.410 478 HA LYS 58 HA LYS 58 5.461 -9.621 3.243 479 HB2 LYS 58 2HB LYS 58 5.602 -8.377 0.878 480 HB3 LYS 58 3HB LYS 58 4.140 -9.219 1.375 481 HG2 LYS 58 2HG LYS 58 3.001 -7.190 1.894 482 HG3 LYS 58 3HG LYS 58 4.484 -6.239 1.826 483 HD2 LYS 58 2HD LYS 58 2.892 -5.990 -0.148 484 HD3 LYS 58 3HD LYS 58 4.565 -6.355 -0.565 485 HE2 LYS 58 2HE LYS 58 2.950 -7.644 -1.924 486 HE3 LYS 58 3HE LYS 58 3.973 -8.706 -0.958 487 HZ1 LYS 58 3HZ LYS 58 1.205 -7.889 -0.275 488 HZ2 LYS 58 1HZ LYS 58 2.183 -8.935 0.626 489 HZ3 LYS 58 2HZ LYS 58 1.667 -9.381 -0.918 490 HA PRO 59 HA PRO 59 9.325 -7.157 3.958 491 HB2 PRO 59 2HB PRO 59 10.998 -9.315 4.249 492 HB3 PRO 59 3HB PRO 59 9.971 -8.731 5.580 493 HG2 PRO 59 2HG PRO 59 9.476 -11.019 3.690 494 HG3 PRO 59 3HG PRO 59 9.273 -10.959 5.456 495 HD2 PRO 59 2HD PRO 59 7.162 -10.673 3.760 496 HD3 PRO 59 3HD PRO 59 7.228 -9.842 5.326 497 H ASN 60 H ASN 60 8.317 -9.513 1.631 498 HA ASN 60 HA ASN 60 10.477 -8.968 -0.281 499 HB2 ASN 60 2HB ASN 60 8.062 -10.816 -0.447 500 HB3 ASN 60 3HB ASN 60 9.292 -10.658 -1.700 501 HD21 ASN 60 1HD2 ASN 60 10.412 -12.511 -1.656 502 HD22 ASN 60 2HD2 ASN 60 11.083 -13.242 -0.246 503 H ALA 61 H ALA 61 8.129 -7.113 0.717 504 HA ALA 61 HA ALA 61 6.339 -6.392 -1.216 505 HB1 ALA 61 3HB ALA 61 6.343 -4.139 -0.228 506 HB2 ALA 61 1HB ALA 61 7.881 -4.476 0.574 507 HB3 ALA 61 2HB ALA 61 6.432 -5.372 1.030 508 H THR 62 H THR 62 6.626 -5.956 -3.300 509 HA THR 62 HA THR 62 9.017 -4.525 -4.262 510 HB THR 62 HB THR 62 6.853 -5.965 -5.880 511 HG1 THR 62 HG1 THR 62 8.390 -7.202 -4.332 512 HG21 THR 62 3HG2 THR 62 8.521 -5.934 -7.698 513 HG22 THR 62 1HG2 THR 62 9.645 -5.050 -6.662 514 HG23 THR 62 2HG2 THR 62 8.137 -4.289 -7.179 515 H ILE 63 H ILE 63 8.611 -2.361 -3.963 516 HA ILE 63 HA ILE 63 5.921 -1.275 -4.549 517 HB ILE 63 HB ILE 63 8.044 -0.233 -2.604 518 HG12 ILE 63 2HG1 ILE 63 5.435 -1.709 -2.030 519 HG13 ILE 63 3HG1 ILE 63 7.040 -2.403 -1.890 520 HG21 ILE 63 1HG2 ILE 63 5.186 0.726 -3.022 521 HG22 ILE 63 2HG2 ILE 63 6.651 1.600 -3.477 522 HG23 ILE 63 3HG2 ILE 63 6.295 1.306 -1.774 523 HD11 ILE 63 3HD1 ILE 63 6.273 -1.935 0.276 524 HD12 ILE 63 1HD1 ILE 63 5.765 -0.306 -0.165 525 HD13 ILE 63 2HD1 ILE 63 7.483 -0.705 -0.088 526 H ARG 64 H ARG 64 5.793 0.164 -6.122 527 HA ARG 64 HA ARG 64 8.215 1.230 -7.440 528 HB2 ARG 64 2HB ARG 64 5.556 0.361 -8.676 529 HB3 ARG 64 3HB ARG 64 6.873 1.130 -9.566 530 HG2 ARG 64 2HG ARG 64 8.336 -0.795 -9.087 531 HG3 ARG 64 3HG ARG 64 7.043 -1.569 -8.164 532 HD2 ARG 64 2HD ARG 64 6.952 -0.898 -11.132 533 HD3 ARG 64 3HD ARG 64 7.247 -2.499 -10.450 534 HE ARG 64 HE ARG 64 4.923 -2.090 -9.359 535 HH11 ARG 64 1HH1 ARG 64 5.828 -1.146 -12.625 536 HH12 ARG 64 2HH1 ARG 64 4.213 -1.275 -13.239 537 HH21 ARG 64 1HH2 ARG 64 2.813 -2.241 -10.166 538 HH22 ARG 64 2HH2 ARG 64 2.502 -1.899 -11.834 539 H LYS 65 H LYS 65 8.306 3.370 -7.482 540 HA LYS 65 HA LYS 65 5.920 4.979 -6.747 541 HB2 LYS 65 2HB LYS 65 8.870 5.427 -6.178 542 HB3 LYS 65 3HB LYS 65 7.661 6.694 -5.985 543 HG2 LYS 65 2HG LYS 65 6.479 5.178 -4.341 544 HG3 LYS 65 3HG LYS 65 7.883 4.102 -4.428 545 HD2 LYS 65 2HD LYS 65 9.344 5.834 -3.561 546 HD3 LYS 65 3HD LYS 65 8.075 7.053 -3.686 547 HE2 LYS 65 2HE LYS 65 6.795 5.866 -1.932 548 HE3 LYS 65 3HE LYS 65 8.091 4.676 -1.803 549 HZ1 LYS 65 3HZ LYS 65 9.586 6.458 -1.151 550 HZ2 LYS 65 1HZ LYS 65 8.283 6.334 -0.087 551 HZ3 LYS 65 2HZ LYS 65 8.326 7.580 -1.240 552 H THR 66 H THR 66 5.516 6.879 -7.826 553 HA THR 66 HA THR 66 7.405 7.866 -9.825 554 HB THR 66 HB THR 66 5.857 6.660 -11.246 555 HG1 THR 66 HG1 THR 66 5.426 8.305 -12.592 556 HG21 THR 66 3HG2 THR 66 3.433 7.081 -11.319 557 HG22 THR 66 1HG2 THR 66 3.569 8.184 -9.946 558 HG23 THR 66 2HG2 THR 66 3.903 6.465 -9.733 559 H GLY 67 H GLY 67 7.669 9.977 -9.652 560 HA2 GLY 67 2HA GLY 67 6.092 12.053 -8.869 561 HA3 GLY 67 3HA GLY 67 6.629 11.341 -7.345 562 H GLY 68 H GLY 68 9.167 10.464 -8.116 563 HA2 GLY 68 2HA GLY 68 11.216 11.162 -9.133 564 HA3 GLY 68 3HA GLY 68 10.649 12.822 -9.131 565 H SER 69 H SER 69 9.679 12.199 -6.246 566 HA SER 69 HA SER 69 10.323 12.435 -4.121 567 HB2 SER 69 2HB SER 69 12.996 11.276 -4.993 568 HB3 SER 69 3HB SER 69 12.414 11.386 -3.329 569 HG SER 69 HG SER 69 10.514 10.181 -4.677 570 H LEU 70 H LEU 70 10.761 14.621 -6.067 571 HA LEU 70 HA LEU 70 13.060 16.125 -5.205 572 HB2 LEU 70 2HB LEU 70 10.581 17.202 -6.628 573 HB3 LEU 70 3HB LEU 70 12.122 18.014 -6.467 574 HG LEU 70 HG LEU 70 12.223 17.307 -8.674 575 HD11 LEU 70 1HD1 LEU 70 13.423 14.895 -7.310 576 HD12 LEU 70 2HD1 LEU 70 14.204 16.467 -7.496 577 HD13 LEU 70 3HD1 LEU 70 13.804 15.514 -8.922 578 HD21 LEU 70 3HD2 LEU 70 10.857 14.705 -7.953 579 HD22 LEU 70 1HD2 LEU 70 11.365 15.198 -9.574 580 HD23 LEU 70 2HD2 LEU 70 10.115 16.105 -8.729 581 H GLU 71 H GLU 71 13.183 17.658 -3.607 582 HA GLU 71 HA GLU 71 11.140 17.867 -1.602 583 HB2 GLU 71 2HB GLU 71 12.589 19.516 -0.518 584 HB3 GLU 71 3HB GLU 71 13.546 18.132 -1.034 585 HG2 GLU 71 2HG GLU 71 14.426 19.374 -2.917 586 HG3 GLU 71 3HG GLU 71 13.359 20.732 -2.576 587 H HIS 72 H HIS 72 9.993 19.843 -1.001 588 HA HIS 72 HA HIS 72 8.682 21.096 -3.193 589 HB2 HIS 72 2HB HIS 72 8.585 21.589 -0.191 590 HB3 HIS 72 3HB HIS 72 7.622 22.531 -1.324 591 HD1 HIS 72 HD1 HIS 72 5.301 21.731 -1.156 592 HD2 HIS 72 HD2 HIS 72 7.989 18.563 -1.007 593 HE1 HIS 72 HE1 HIS 72 3.898 19.663 -1.015 594 HE2 HIS 72 HE2 HIS 72 5.538 17.755 -0.923 595 H HIS 73 H HIS 73 9.425 22.702 -4.392 596 HA HIS 73 HA HIS 73 11.804 24.099 -4.038 597 HB2 HIS 73 2HB HIS 73 10.786 23.835 -6.240 598 HB3 HIS 73 3HB HIS 73 9.382 24.776 -5.759 599 HD1 HIS 73 HD1 HIS 73 9.866 27.383 -5.285 600 HD2 HIS 73 HD2 HIS 73 12.784 25.346 -7.431 601 HE1 HIS 73 HE1 HIS 73 11.223 29.151 -6.425 602 HE2 HIS 73 HE2 HIS 73 12.863 27.886 -7.858 603 H HIS 74 H HIS 74 12.330 25.636 -2.671 604 HA HIS 74 HA HIS 74 10.283 27.431 -1.489 605 HB2 HIS 74 2HB HIS 74 11.545 27.254 0.673 606 HB3 HIS 74 3HB HIS 74 10.826 25.734 0.168 607 HD1 HIS 74 HD1 HIS 74 13.881 27.013 1.500 608 HD2 HIS 74 HD2 HIS 74 12.919 24.015 -1.213 609 HE1 HIS 74 HE1 HIS 74 15.901 25.525 1.381 610 HE2 HIS 74 HE2 HIS 74 15.232 23.643 -0.151 611 H HIS 75 H HIS 75 10.696 29.477 -1.892 612 HA HIS 75 HA HIS 75 13.398 30.586 -1.971 613 HB2 HIS 75 2HB HIS 75 13.140 29.886 -4.288 614 HB3 HIS 75 3HB HIS 75 11.529 30.582 -4.382 615 HD1 HIS 75 HD1 HIS 75 11.389 32.896 -5.310 616 HD2 HIS 75 HD2 HIS 75 15.245 31.964 -4.062 617 HE1 HIS 75 HE1 HIS 75 12.825 34.824 -6.039 618 HE2 HIS 75 HE2 HIS 75 15.115 34.298 -5.143 619 H HIS 76 H HIS 76 12.735 31.704 -0.130 620 HA HIS 76 HA HIS 76 10.486 33.577 -0.264 621 HB2 HIS 76 2HB HIS 76 10.787 33.957 2.059 622 HB3 HIS 76 3HB HIS 76 11.144 32.250 1.867 623 HD1 HIS 76 HD1 HIS 76 12.588 35.447 3.014 624 HD2 HIS 76 HD2 HIS 76 13.973 31.617 2.169 625 HE1 HIS 76 HE1 HIS 76 14.859 35.299 4.074 626 HE2 HIS 76 HE2 HIS 76 15.650 32.958 3.602 627 H HIS 77 H HIS 77 11.020 35.856 0.665 628 HA HIS 77 HA HIS 77 13.586 36.929 -0.312 629 HB2 HIS 77 2HB HIS 77 11.859 37.254 -2.123 630 HB3 HIS 77 3HB HIS 77 10.878 38.180 -0.992 631 HD1 HIS 77 HD1 HIS 77 11.832 40.536 -0.260 632 HD2 HIS 77 HD2 HIS 77 13.948 38.663 -3.308 633 HE1 HIS 77 HE1 HIS 77 13.272 42.320 -1.282 634 HE2 HIS 77 HE2 HIS 77 14.624 41.133 -3.039 Start of MODEL 10 1 H1 MET 1 1H MET 1 -0.376 11.373 -6.150 2 H2 MET 1 2H MET 1 -1.112 12.715 -5.436 3 H3 MET 1 3H MET 1 -0.228 11.631 -4.490 4 HA MET 1 HA MET 1 0.870 13.343 -6.629 5 HB2 MET 1 2HB MET 1 1.107 13.559 -3.599 6 HB3 MET 1 3HB MET 1 2.058 14.513 -4.731 7 HG2 MET 1 2HG MET 1 -0.955 14.606 -4.469 8 HG3 MET 1 3HG MET 1 0.168 15.765 -3.776 9 HE1 MET 1 3HE MET 1 -1.427 15.760 -8.050 10 HE2 MET 1 1HE MET 1 -2.251 15.271 -6.570 11 HE3 MET 1 2HE MET 1 -1.032 14.218 -7.292 12 H VAL 2 H VAL 2 1.860 11.507 -3.700 13 HA VAL 2 HA VAL 2 4.067 10.279 -5.229 14 HB VAL 2 HB VAL 2 3.490 9.952 -2.241 15 HG11 VAL 2 1HG1 VAL 2 5.867 9.239 -2.126 16 HG12 VAL 2 2HG1 VAL 2 6.000 9.411 -3.878 17 HG13 VAL 2 3HG1 VAL 2 4.924 8.191 -3.192 18 HG21 VAL 2 3HG2 VAL 2 5.246 11.642 -1.819 19 HG22 VAL 2 1HG2 VAL 2 3.881 12.340 -2.695 20 HG23 VAL 2 2HG2 VAL 2 5.374 11.947 -3.552 21 H ASP 3 H ASP 3 3.497 8.468 -6.253 22 HA ASP 3 HA ASP 3 1.114 6.958 -5.383 23 HB2 ASP 3 2HB ASP 3 2.417 7.222 -8.129 24 HB3 ASP 3 3HB ASP 3 1.053 6.168 -7.777 25 H LEU 4 H LEU 4 1.472 5.079 -4.465 26 HA LEU 4 HA LEU 4 3.973 3.567 -4.916 27 HB2 LEU 4 2HB LEU 4 1.990 3.390 -2.603 28 HB3 LEU 4 3HB LEU 4 3.511 2.513 -2.730 29 HG LEU 4 HG LEU 4 3.231 5.534 -2.415 30 HD11 LEU 4 1HD1 LEU 4 2.599 4.345 -0.385 31 HD12 LEU 4 2HD1 LEU 4 4.120 5.207 -0.166 32 HD13 LEU 4 3HD1 LEU 4 4.127 3.456 -0.404 33 HD21 LEU 4 3HD2 LEU 4 5.743 3.825 -2.459 34 HD22 LEU 4 1HD2 LEU 4 5.672 5.554 -2.095 35 HD23 LEU 4 2HD2 LEU 4 5.238 4.976 -3.700 36 H LYS 5 H LYS 5 3.602 2.009 -6.413 37 HA LYS 5 HA LYS 5 1.053 0.512 -6.402 38 HB2 LYS 5 2HB LYS 5 3.253 0.487 -8.501 39 HB3 LYS 5 3HB LYS 5 1.711 -0.365 -8.596 40 HG2 LYS 5 2HG LYS 5 0.581 1.918 -8.512 41 HG3 LYS 5 3HG LYS 5 2.188 2.629 -8.709 42 HD2 LYS 5 2HD LYS 5 0.772 0.759 -10.653 43 HD3 LYS 5 3HD LYS 5 1.078 2.482 -10.883 44 HE2 LYS 5 2HE LYS 5 3.472 2.096 -11.041 45 HE3 LYS 5 3HE LYS 5 3.276 0.399 -10.599 46 HZ1 LYS 5 3HZ LYS 5 3.581 0.625 -12.950 47 HZ2 LYS 5 1HZ LYS 5 2.265 1.678 -13.075 48 HZ3 LYS 5 2HZ LYS 5 2.021 0.064 -12.636 49 H ILE 6 H ILE 6 1.141 -1.291 -5.175 50 HA ILE 6 HA ILE 6 3.759 -2.589 -4.691 51 HB ILE 6 HB ILE 6 1.179 -3.091 -3.152 52 HG12 ILE 6 2HG1 ILE 6 1.765 -0.713 -2.831 53 HG13 ILE 6 3HG1 ILE 6 2.053 -1.612 -1.347 54 HG21 ILE 6 1HG2 ILE 6 2.664 -4.094 -1.462 55 HG22 ILE 6 2HG2 ILE 6 4.071 -3.736 -2.465 56 HG23 ILE 6 3HG2 ILE 6 2.856 -4.888 -3.024 57 HD11 ILE 6 3HD1 ILE 6 4.136 -0.686 -3.316 58 HD12 ILE 6 1HD1 ILE 6 4.459 -1.629 -1.855 59 HD13 ILE 6 2HD1 ILE 6 3.791 -0.002 -1.730 60 H ASP 7 H ASP 7 4.084 -4.210 -6.135 61 HA ASP 7 HA ASP 7 2.093 -5.845 -7.333 62 HB2 ASP 7 2HB ASP 7 4.297 -5.728 -8.341 63 HB3 ASP 7 3HB ASP 7 5.062 -6.290 -6.864 64 H VAL 8 H VAL 8 0.868 -7.373 -6.402 65 HA VAL 8 HA VAL 8 1.744 -8.642 -3.874 66 HB VAL 8 HB VAL 8 -0.697 -8.860 -3.255 67 HG11 VAL 8 1HG1 VAL 8 -0.973 -6.546 -2.443 68 HG12 VAL 8 2HG1 VAL 8 0.302 -6.002 -3.539 69 HG13 VAL 8 3HG1 VAL 8 0.683 -7.119 -2.224 70 HG21 VAL 8 3HG2 VAL 8 -1.183 -6.886 -5.526 71 HG22 VAL 8 1HG2 VAL 8 -2.381 -7.404 -4.334 72 HG23 VAL 8 2HG2 VAL 8 -1.720 -8.567 -5.485 73 H SER 9 H SER 9 1.457 -10.808 -3.718 74 HA SER 9 HA SER 9 1.318 -12.412 -6.050 75 HB2 SER 9 2HB SER 9 2.705 -13.067 -4.145 76 HB3 SER 9 3HB SER 9 1.301 -13.129 -3.082 77 HG SER 9 HG SER 9 0.587 -14.939 -4.116 78 H ASP 10 H ASP 10 -0.918 -11.857 -3.322 79 HA ASP 10 HA ASP 10 -3.012 -13.450 -4.712 80 HB2 ASP 10 2HB ASP 10 -2.433 -13.177 -1.735 81 HB3 ASP 10 3HB ASP 10 -3.862 -13.977 -2.385 82 H ASP 11 H ASP 11 -5.208 -12.987 -3.692 83 HA ASP 11 HA ASP 11 -5.838 -10.137 -4.004 84 HB2 ASP 11 2HB ASP 11 -8.171 -10.824 -4.180 85 HB3 ASP 11 3HB ASP 11 -7.199 -11.837 -5.239 86 H GLU 12 H GLU 12 -5.938 -12.757 -1.654 87 HA GLU 12 HA GLU 12 -7.268 -11.419 0.475 88 HB2 GLU 12 2HB GLU 12 -7.058 -13.911 0.167 89 HB3 GLU 12 3HB GLU 12 -5.354 -13.799 0.569 90 HG2 GLU 12 2HG GLU 12 -7.498 -12.918 2.517 91 HG3 GLU 12 3HG GLU 12 -7.037 -14.607 2.385 92 H GLU 13 H GLU 13 -3.906 -11.765 -0.495 93 HA GLU 13 HA GLU 13 -2.676 -10.418 1.661 94 HB2 GLU 13 2HB GLU 13 -1.353 -11.782 0.151 95 HB3 GLU 13 3HB GLU 13 -1.769 -10.758 -1.222 96 HG2 GLU 13 2HG GLU 13 -0.478 -8.912 -0.321 97 HG3 GLU 13 3HG GLU 13 -0.206 -9.776 1.191 98 H ALA 14 H ALA 14 -3.864 -9.283 -1.496 99 HA ALA 14 HA ALA 14 -3.161 -6.604 -1.384 100 HB1 ALA 14 3HB ALA 14 -4.908 -6.248 -3.068 101 HB2 ALA 14 1HB ALA 14 -5.616 -7.819 -2.681 102 HB3 ALA 14 2HB ALA 14 -4.004 -7.728 -3.398 103 H GLU 15 H GLU 15 -6.113 -8.194 -0.209 104 HA GLU 15 HA GLU 15 -7.625 -6.115 0.727 105 HB2 GLU 15 2HB GLU 15 -7.175 -8.852 1.983 106 HB3 GLU 15 3HB GLU 15 -8.471 -7.760 2.466 107 HG2 GLU 15 2HG GLU 15 -8.123 -8.954 -0.296 108 HG3 GLU 15 3HG GLU 15 -9.222 -9.555 0.939 109 H LYS 16 H LYS 16 -5.063 -7.845 2.517 110 HA LYS 16 HA LYS 16 -5.387 -6.424 4.950 111 HB2 LYS 16 2HB LYS 16 -3.040 -8.114 4.001 112 HB3 LYS 16 3HB LYS 16 -3.280 -7.540 5.651 113 HG2 LYS 16 2HG LYS 16 -5.466 -8.839 5.677 114 HG3 LYS 16 3HG LYS 16 -4.978 -9.554 4.137 115 HD2 LYS 16 2HD LYS 16 -3.457 -9.765 6.771 116 HD3 LYS 16 3HD LYS 16 -4.445 -11.036 6.043 117 HE2 LYS 16 2HE LYS 16 -1.932 -9.850 4.806 118 HE3 LYS 16 3HE LYS 16 -2.028 -11.391 5.654 119 HZ1 LYS 16 3HZ LYS 16 -2.102 -11.656 3.257 120 HZ2 LYS 16 1HZ LYS 16 -3.514 -10.725 3.176 121 HZ3 LYS 16 2HZ LYS 16 -3.527 -12.209 3.981 122 H ILE 17 H ILE 17 -3.373 -5.846 2.116 123 HA ILE 17 HA ILE 17 -1.656 -3.877 3.247 124 HB ILE 17 HB ILE 17 -2.579 -4.130 0.348 125 HG12 ILE 17 2HG1 ILE 17 -1.502 -6.225 1.113 126 HG13 ILE 17 3HG1 ILE 17 -0.475 -5.394 -0.049 127 HG21 ILE 17 1HG2 ILE 17 -0.503 -2.886 -0.218 128 HG22 ILE 17 2HG2 ILE 17 -0.166 -2.679 1.503 129 HG23 ILE 17 3HG2 ILE 17 -1.593 -1.927 0.784 130 HD11 ILE 17 3HD1 ILE 17 0.773 -6.357 1.801 131 HD12 ILE 17 1HD1 ILE 17 -0.104 -5.347 2.945 132 HD13 ILE 17 2HD1 ILE 17 0.957 -4.607 1.740 133 H ILE 18 H ILE 18 -4.700 -3.653 1.380 134 HA ILE 18 HA ILE 18 -5.103 -0.903 1.375 135 HB ILE 18 HB ILE 18 -7.138 -3.179 1.389 136 HG12 ILE 18 2HG1 ILE 18 -5.969 -1.585 -0.941 137 HG13 ILE 18 3HG1 ILE 18 -5.516 -3.227 -0.506 138 HG21 ILE 18 1HG2 ILE 18 -8.281 -1.108 2.040 139 HG22 ILE 18 2HG2 ILE 18 -8.770 -1.595 0.418 140 HG23 ILE 18 3HG2 ILE 18 -7.615 -0.277 0.632 141 HD11 ILE 18 3HD1 ILE 18 -6.990 -3.223 -2.412 142 HD12 ILE 18 1HD1 ILE 18 -8.220 -2.333 -1.517 143 HD13 ILE 18 2HD1 ILE 18 -7.797 -3.981 -1.041 144 H ARG 19 H ARG 19 -6.070 -3.327 3.793 145 HA ARG 19 HA ARG 19 -7.556 -1.624 5.509 146 HB2 ARG 19 2HB ARG 19 -6.100 -4.228 6.127 147 HB3 ARG 19 3HB ARG 19 -7.265 -3.449 7.202 148 HG2 ARG 19 2HG ARG 19 -9.059 -3.799 5.613 149 HG3 ARG 19 3HG ARG 19 -7.928 -4.413 4.404 150 HD2 ARG 19 2HD ARG 19 -7.381 -6.304 5.941 151 HD3 ARG 19 3HD ARG 19 -8.628 -5.718 7.055 152 HE ARG 19 HE ARG 19 -9.879 -6.007 4.614 153 HH11 ARG 19 1HH1 ARG 19 -8.186 -8.152 6.832 154 HH12 ARG 19 2HH1 ARG 19 -9.097 -9.546 6.356 155 HH21 ARG 19 1HH2 ARG 19 -11.034 -7.850 3.980 156 HH22 ARG 19 2HH2 ARG 19 -10.709 -9.374 4.739 157 H GLU 20 H GLU 20 -4.207 -2.837 5.670 158 HA GLU 20 HA GLU 20 -3.299 -1.734 8.028 159 HB2 GLU 20 2HB GLU 20 -2.001 -3.345 6.704 160 HB3 GLU 20 3HB GLU 20 -1.825 -2.183 5.398 161 HG2 GLU 20 2HG GLU 20 0.267 -2.366 6.599 162 HG3 GLU 20 3HG GLU 20 -0.414 -0.761 6.852 163 H ILE 21 H ILE 21 -3.216 -0.267 4.783 164 HA ILE 21 HA ILE 21 -1.887 2.118 5.597 165 HB ILE 21 HB ILE 21 -3.393 1.492 3.026 166 HG12 ILE 21 2HG1 ILE 21 -1.520 -0.059 3.359 167 HG13 ILE 21 3HG1 ILE 21 -1.124 1.056 2.063 168 HG21 ILE 21 1HG2 ILE 21 -1.442 3.758 3.580 169 HG22 ILE 21 2HG2 ILE 21 -3.177 3.922 3.298 170 HG23 ILE 21 3HG2 ILE 21 -2.128 3.355 2.000 171 HD11 ILE 21 3HD1 ILE 21 0.308 2.322 3.615 172 HD12 ILE 21 1HD1 ILE 21 0.789 0.633 3.456 173 HD13 ILE 21 2HD1 ILE 21 -0.082 1.164 4.893 174 H ARG 22 H ARG 22 -5.323 1.358 4.869 175 HA ARG 22 HA ARG 22 -6.112 4.124 4.958 176 HB2 ARG 22 2HB ARG 22 -7.796 1.608 4.837 177 HB3 ARG 22 3HB ARG 22 -8.442 3.245 4.710 178 HG2 ARG 22 2HG ARG 22 -6.971 3.594 2.696 179 HG3 ARG 22 3HG ARG 22 -6.523 1.889 2.785 180 HD2 ARG 22 2HD ARG 22 -8.261 2.121 1.142 181 HD3 ARG 22 3HD ARG 22 -8.952 1.312 2.548 182 HE ARG 22 HE ARG 22 -9.769 3.639 3.173 183 HH11 ARG 22 1HH1 ARG 22 -9.461 2.574 -0.177 184 HH12 ARG 22 2HH1 ARG 22 -10.696 3.646 -0.748 185 HH21 ARG 22 1HH2 ARG 22 -11.343 5.065 2.401 186 HH22 ARG 22 2HH2 ARG 22 -11.765 5.062 0.721 187 H GLU 23 H GLU 23 -6.055 1.552 7.371 188 HA GLU 23 HA GLU 23 -7.798 2.843 9.265 189 HB2 GLU 23 2HB GLU 23 -5.727 0.636 9.591 190 HB3 GLU 23 3HB GLU 23 -6.737 1.215 10.919 191 HG2 GLU 23 2HG GLU 23 -8.764 0.574 9.633 192 HG3 GLU 23 3HG GLU 23 -7.735 -0.043 8.342 193 H GLN 24 H GLN 24 -4.386 2.968 8.559 194 HA GLN 24 HA GLN 24 -3.629 4.584 10.857 195 HB2 GLN 24 2HB GLN 24 -2.154 3.966 8.267 196 HB3 GLN 24 3HB GLN 24 -1.452 4.856 9.615 197 HG2 GLN 24 2HG GLN 24 -1.668 2.863 11.039 198 HG3 GLN 24 3HG GLN 24 -2.361 1.962 9.685 199 HE21 GLN 24 1HE2 GLN 24 -1.004 1.453 7.903 200 HE22 GLN 24 2HE2 GLN 24 0.712 1.449 8.050 201 H TRP 25 H TRP 25 -3.871 5.158 7.349 202 HA TRP 25 HA TRP 25 -4.270 8.055 7.771 203 HB2 TRP 25 2HB TRP 25 -3.239 6.644 5.277 204 HB3 TRP 25 3HB TRP 25 -3.371 8.385 5.502 205 HD1 TRP 25 HD1 TRP 25 -1.542 9.528 7.208 206 HE1 TRP 25 HE1 TRP 25 0.822 8.775 7.876 207 HE3 TRP 25 HE3 TRP 25 -1.752 4.642 5.693 208 HZ2 TRP 25 HZ2 TRP 25 2.385 6.449 7.800 209 HZ3 TRP 25 HZ3 TRP 25 0.225 3.217 6.033 210 HH2 TRP 25 HH2 TRP 25 2.258 4.107 7.065 211 HA PRO 26 HA PRO 26 -8.435 6.624 6.257 212 HB2 PRO 26 2HB PRO 26 -9.804 8.829 7.260 213 HB3 PRO 26 3HB PRO 26 -9.442 7.377 8.216 214 HG2 PRO 26 2HG PRO 26 -7.972 9.997 8.152 215 HG3 PRO 26 3HG PRO 26 -8.413 8.988 9.549 216 HD2 PRO 26 2HD PRO 26 -5.908 8.964 8.522 217 HD3 PRO 26 3HD PRO 26 -6.641 7.497 9.207 218 H LYS 27 H LYS 27 -6.741 9.653 5.919 219 HA LYS 27 HA LYS 27 -8.262 10.528 3.583 220 HB2 LYS 27 2HB LYS 27 -6.583 12.531 3.791 221 HB3 LYS 27 3HB LYS 27 -7.876 12.352 4.958 222 HG2 LYS 27 2HG LYS 27 -5.925 13.013 6.152 223 HG3 LYS 27 3HG LYS 27 -6.239 11.322 6.547 224 HD2 LYS 27 2HD LYS 27 -4.438 10.612 5.006 225 HD3 LYS 27 3HD LYS 27 -4.147 12.291 4.543 226 HE2 LYS 27 2HE LYS 27 -3.490 12.799 6.875 227 HE3 LYS 27 3HE LYS 27 -3.769 11.116 7.316 228 HZ1 LYS 27 3HZ LYS 27 -1.474 11.422 6.966 229 HZ2 LYS 27 1HZ LYS 27 -1.713 12.169 5.469 230 HZ3 LYS 27 2HZ LYS 27 -2.048 10.528 5.655 231 H ALA 28 H ALA 28 -6.791 8.096 3.196 232 HA ALA 28 HA ALA 28 -4.551 8.862 1.419 233 HB1 ALA 28 3HB ALA 28 -3.685 7.544 3.312 234 HB2 ALA 28 1HB ALA 28 -3.618 6.597 1.826 235 HB3 ALA 28 2HB ALA 28 -4.888 6.288 3.014 236 H THR 29 H THR 29 -5.377 8.648 -0.715 237 HA THR 29 HA THR 29 -7.791 7.181 -1.186 238 HB THR 29 HB THR 29 -5.872 8.448 -3.183 239 HG1 THR 29 HG1 THR 29 -7.675 9.547 -1.419 240 HG21 THR 29 3HG2 THR 29 -8.817 7.728 -3.463 241 HG22 THR 29 1HG2 THR 29 -7.470 6.899 -4.260 242 HG23 THR 29 2HG2 THR 29 -7.843 8.572 -4.668 243 H VAL 30 H VAL 30 -7.592 4.991 -1.012 244 HA VAL 30 HA VAL 30 -5.512 3.616 -2.624 245 HB VAL 30 HB VAL 30 -6.958 2.522 -0.166 246 HG11 VAL 30 1HG1 VAL 30 -6.397 0.739 -1.794 247 HG12 VAL 30 2HG1 VAL 30 -5.408 0.600 -0.338 248 HG13 VAL 30 3HG1 VAL 30 -4.715 1.281 -1.813 249 HG21 VAL 30 3HG2 VAL 30 -4.761 2.662 0.975 250 HG22 VAL 30 1HG2 VAL 30 -5.314 4.260 0.461 251 HG23 VAL 30 2HG2 VAL 30 -4.062 3.421 -0.457 252 H THR 31 H THR 31 -6.196 2.424 -4.227 253 HA THR 31 HA THR 31 -9.074 2.214 -4.818 254 HB THR 31 HB THR 31 -6.664 1.666 -6.616 255 HG1 THR 31 HG1 THR 31 -6.547 3.791 -6.347 256 HG21 THR 31 3HG2 THR 31 -9.581 2.134 -7.352 257 HG22 THR 31 1HG2 THR 31 -8.750 0.577 -7.430 258 HG23 THR 31 2HG2 THR 31 -8.253 1.899 -8.490 259 H ARG 32 H ARG 32 -10.059 0.128 -5.363 260 HA ARG 32 HA ARG 32 -8.881 -2.177 -4.072 261 HB2 ARG 32 2HB ARG 32 -11.363 -1.625 -4.004 262 HB3 ARG 32 3HB ARG 32 -11.437 -1.963 -5.729 263 HG2 ARG 32 2HG ARG 32 -12.239 -3.910 -4.628 264 HG3 ARG 32 3HG ARG 32 -10.622 -4.311 -5.211 265 HD2 ARG 32 2HD ARG 32 -10.928 -5.181 -2.953 266 HD3 ARG 32 3HD ARG 32 -9.729 -3.884 -2.916 267 HE ARG 32 HE ARG 32 -11.884 -2.489 -2.309 268 HH11 ARG 32 1HH1 ARG 32 -11.003 -5.650 -1.051 269 HH12 ARG 32 2HH1 ARG 32 -11.831 -5.409 0.452 270 HH21 ARG 32 1HH2 ARG 32 -12.998 -2.218 -0.361 271 HH22 ARG 32 2HH2 ARG 32 -12.955 -3.471 0.840 272 H THR 33 H THR 33 -7.396 -3.330 -5.188 273 HA THR 33 HA THR 33 -7.620 -3.722 -8.061 274 HB THR 33 HB THR 33 -6.327 -1.756 -8.171 275 HG1 THR 33 HG1 THR 33 -5.338 -3.804 -9.126 276 HG21 THR 33 3HG2 THR 33 -5.820 -1.461 -5.813 277 HG22 THR 33 1HG2 THR 33 -4.354 -1.285 -6.777 278 HG23 THR 33 2HG2 THR 33 -4.639 -2.773 -5.875 279 H ASN 34 H ASN 34 -6.880 -5.663 -8.671 280 HA ASN 34 HA ASN 34 -5.602 -7.405 -6.634 281 HB2 ASN 34 2HB ASN 34 -7.879 -8.125 -7.342 282 HB3 ASN 34 3HB ASN 34 -7.333 -8.213 -9.013 283 HD21 ASN 34 1HD2 ASN 34 -7.778 -10.406 -9.191 284 HD22 ASN 34 2HD2 ASN 34 -6.870 -11.620 -8.363 285 H GLY 35 H GLY 35 -3.593 -8.123 -7.060 286 HA2 GLY 35 2HA GLY 35 -1.829 -8.939 -8.468 287 HA3 GLY 35 3HA GLY 35 -2.467 -7.996 -9.809 288 H ASP 36 H ASP 36 -2.934 -5.634 -8.209 289 HA ASP 36 HA ASP 36 -0.216 -4.745 -7.445 290 HB2 ASP 36 2HB ASP 36 -2.232 -3.186 -9.146 291 HB3 ASP 36 3HB ASP 36 -0.729 -2.523 -8.519 292 H ILE 37 H ILE 37 -0.377 -2.645 -6.161 293 HA ILE 37 HA ILE 37 -3.006 -2.158 -4.878 294 HB ILE 37 HB ILE 37 -0.309 -2.120 -3.466 295 HG12 ILE 37 2HG1 ILE 37 -1.426 -4.342 -3.557 296 HG13 ILE 37 3HG1 ILE 37 -1.324 -3.736 -1.909 297 HG21 ILE 37 1HG2 ILE 37 -1.468 -1.242 -1.445 298 HG22 ILE 37 2HG2 ILE 37 -2.951 -1.053 -2.386 299 HG23 ILE 37 3HG2 ILE 37 -1.525 -0.093 -2.784 300 HD11 ILE 37 3HD1 ILE 37 -3.450 -4.777 -2.313 301 HD12 ILE 37 1HD1 ILE 37 -3.772 -3.704 -3.670 302 HD13 ILE 37 2HD1 ILE 37 -3.685 -3.058 -2.026 303 H LYS 38 H LYS 38 -3.658 -0.268 -5.666 304 HA LYS 38 HA LYS 38 -1.738 1.766 -6.526 305 HB2 LYS 38 2HB LYS 38 -4.762 1.586 -6.907 306 HB3 LYS 38 3HB LYS 38 -3.722 2.838 -7.592 307 HG2 LYS 38 2HG LYS 38 -2.508 1.118 -8.893 308 HG3 LYS 38 3HG LYS 38 -3.546 -0.136 -8.206 309 HD2 LYS 38 2HD LYS 38 -5.512 0.888 -9.292 310 HD3 LYS 38 3HD LYS 38 -4.493 2.172 -9.952 311 HE2 LYS 38 2HE LYS 38 -4.919 0.519 -11.683 312 HE3 LYS 38 3HE LYS 38 -3.216 0.440 -11.229 313 HZ1 LYS 38 3HZ LYS 38 -4.087 -1.763 -11.437 314 HZ2 LYS 38 1HZ LYS 38 -5.371 -1.427 -10.392 315 HZ3 LYS 38 2HZ LYS 38 -3.792 -1.485 -9.797 316 H LEU 39 H LEU 39 -1.096 2.977 -4.938 317 HA LEU 39 HA LEU 39 -2.900 3.782 -2.729 318 HB2 LEU 39 2HB LEU 39 -1.026 2.042 -2.287 319 HB3 LEU 39 3HB LEU 39 0.120 3.330 -2.591 320 HG LEU 39 HG LEU 39 -1.898 3.259 -0.302 321 HD11 LEU 39 1HD1 LEU 39 -0.154 1.575 -0.023 322 HD12 LEU 39 2HD1 LEU 39 0.055 2.876 1.146 323 HD13 LEU 39 3HD1 LEU 39 1.102 2.795 -0.275 324 HD21 LEU 39 3HD2 LEU 39 0.334 5.249 -0.828 325 HD22 LEU 39 1HD2 LEU 39 -0.670 5.178 0.624 326 HD23 LEU 39 2HD2 LEU 39 -1.399 5.571 -0.929 327 H ASP 40 H ASP 40 -3.096 5.955 -2.555 328 HA ASP 40 HA ASP 40 -1.209 7.696 -4.048 329 HB2 ASP 40 2HB ASP 40 -3.391 7.809 -5.109 330 HB3 ASP 40 3HB ASP 40 -4.189 8.053 -3.560 331 H ALA 41 H ALA 41 0.135 8.169 -2.496 332 HA ALA 41 HA ALA 41 -0.657 9.264 0.078 333 HB1 ALA 41 3HB ALA 41 1.386 7.917 -0.092 334 HB2 ALA 41 1HB ALA 41 1.769 9.553 0.451 335 HB3 ALA 41 2HB ALA 41 2.086 9.074 -1.221 336 H GLN 42 H GLN 42 -0.538 11.386 0.660 337 HA GLN 42 HA GLN 42 -0.793 13.367 -1.471 338 HB2 GLN 42 2HB GLN 42 -1.131 13.787 1.529 339 HB3 GLN 42 3HB GLN 42 -1.782 14.774 0.221 340 HG2 GLN 42 2HG GLN 42 -2.643 11.962 0.983 341 HG3 GLN 42 3HG GLN 42 -3.559 13.450 1.220 342 HE21 GLN 42 1HE2 GLN 42 -4.138 10.935 -0.290 343 HE22 GLN 42 2HE2 GLN 42 -4.572 11.452 -1.881 344 H THR 43 H THR 43 1.292 12.502 1.202 345 HA THR 43 HA THR 43 3.291 14.544 0.426 346 HB THR 43 HB THR 43 3.960 14.563 2.905 347 HG1 THR 43 HG1 THR 43 1.517 13.130 3.067 348 HG21 THR 43 3HG2 THR 43 2.733 16.474 1.916 349 HG22 THR 43 1HG2 THR 43 2.245 16.190 3.591 350 HG23 THR 43 2HG2 THR 43 1.203 15.668 2.268 351 H GLU 44 H GLU 44 5.483 13.866 0.622 352 HA GLU 44 HA GLU 44 5.997 11.123 0.057 353 HB2 GLU 44 2HB GLU 44 7.382 12.925 -0.899 354 HB3 GLU 44 3HB GLU 44 7.958 13.363 0.709 355 HG2 GLU 44 2HG GLU 44 8.983 11.063 0.902 356 HG3 GLU 44 3HG GLU 44 8.503 10.755 -0.766 357 H LYS 45 H LYS 45 6.430 13.148 2.933 358 HA LYS 45 HA LYS 45 7.941 11.354 4.512 359 HB2 LYS 45 2HB LYS 45 5.983 13.506 5.412 360 HB3 LYS 45 3HB LYS 45 7.193 12.746 6.434 361 HG2 LYS 45 2HG LYS 45 7.662 14.635 4.110 362 HG3 LYS 45 3HG LYS 45 7.944 14.948 5.816 363 HD2 LYS 45 2HD LYS 45 10.119 14.480 5.273 364 HD3 LYS 45 3HD LYS 45 9.612 12.803 5.472 365 HE2 LYS 45 2HE LYS 45 9.154 12.740 2.990 366 HE3 LYS 45 3HE LYS 45 9.832 14.366 2.879 367 HZ1 LYS 45 3HZ LYS 45 11.259 11.938 3.807 368 HZ2 LYS 45 1HZ LYS 45 11.920 13.499 3.741 369 HZ3 LYS 45 2HZ LYS 45 11.458 12.711 2.316 370 H GLU 46 H GLU 46 4.611 11.397 3.649 371 HA GLU 46 HA GLU 46 3.592 9.648 5.724 372 HB2 GLU 46 2HB GLU 46 2.154 11.362 4.809 373 HB3 GLU 46 3HB GLU 46 2.497 10.861 3.162 374 HG2 GLU 46 2HG GLU 46 1.245 8.740 3.622 375 HG3 GLU 46 3HG GLU 46 0.813 9.389 5.205 376 H ALA 47 H ALA 47 4.404 9.575 2.278 377 HA ALA 47 HA ALA 47 3.627 6.963 1.626 378 HB1 ALA 47 3HB ALA 47 4.080 8.722 -0.036 379 HB2 ALA 47 1HB ALA 47 4.988 7.250 -0.388 380 HB3 ALA 47 2HB ALA 47 5.801 8.642 0.342 381 H GLU 48 H GLU 48 6.628 8.186 2.987 382 HA GLU 48 HA GLU 48 8.273 5.920 2.510 383 HB2 GLU 48 2HB GLU 48 8.529 8.181 4.536 384 HB3 GLU 48 3HB GLU 48 9.794 6.997 4.199 385 HG2 GLU 48 2HG GLU 48 10.025 7.781 1.921 386 HG3 GLU 48 3HG GLU 48 8.615 8.825 2.082 387 H LYS 49 H LYS 49 5.998 6.706 5.056 388 HA LYS 49 HA LYS 49 6.718 4.421 6.727 389 HB2 LYS 49 2HB LYS 49 4.352 6.338 6.892 390 HB3 LYS 49 3HB LYS 49 4.759 5.120 8.100 391 HG2 LYS 49 2HG LYS 49 6.911 6.279 8.515 392 HG3 LYS 49 3HG LYS 49 6.448 7.532 7.355 393 HD2 LYS 49 2HD LYS 49 4.526 8.156 8.768 394 HD3 LYS 49 3HD LYS 49 4.898 6.849 9.898 395 HE2 LYS 49 2HE LYS 49 7.070 7.946 10.403 396 HE3 LYS 49 3HE LYS 49 6.644 9.262 9.312 397 HZ1 LYS 49 3HZ LYS 49 5.233 8.517 11.810 398 HZ2 LYS 49 1HZ LYS 49 4.730 9.729 10.744 399 HZ3 LYS 49 2HZ LYS 49 6.194 9.880 11.567 400 H MET 50 H MET 50 4.115 5.426 4.634 401 HA MET 50 HA MET 50 2.365 3.303 4.557 402 HB2 MET 50 2HB MET 50 3.270 5.045 2.257 403 HB3 MET 50 3HB MET 50 2.001 3.842 2.058 404 HG2 MET 50 2HG MET 50 0.640 4.953 3.720 405 HG3 MET 50 3HG MET 50 1.917 6.138 4.017 406 HE1 MET 50 3HE MET 50 -1.251 7.677 1.954 407 HE2 MET 50 1HE MET 50 -0.597 7.514 3.583 408 HE3 MET 50 2HE MET 50 -1.365 6.132 2.796 409 H GLU 51 H GLU 51 5.042 3.561 2.204 410 HA GLU 51 HA GLU 51 4.930 1.025 1.087 411 HB2 GLU 51 2HB GLU 51 7.168 1.501 0.229 412 HB3 GLU 51 3HB GLU 51 6.195 2.962 0.175 413 HG2 GLU 51 2HG GLU 51 7.290 3.752 2.255 414 HG3 GLU 51 3HG GLU 51 8.291 2.306 2.269 415 H LYS 52 H LYS 52 6.439 2.073 4.062 416 HA LYS 52 HA LYS 52 8.062 -0.254 4.510 417 HB2 LYS 52 2HB LYS 52 8.589 2.027 5.431 418 HB3 LYS 52 3HB LYS 52 7.192 1.884 6.489 419 HG2 LYS 52 2HG LYS 52 9.159 1.375 7.770 420 HG3 LYS 52 3HG LYS 52 8.242 -0.113 7.560 421 HD2 LYS 52 2HD LYS 52 10.485 -0.759 7.222 422 HD3 LYS 52 3HD LYS 52 9.841 -0.623 5.587 423 HE2 LYS 52 2HE LYS 52 11.493 1.504 6.998 424 HE3 LYS 52 3HE LYS 52 12.125 0.333 5.845 425 HZ1 LYS 52 3HZ LYS 52 10.537 1.304 4.204 426 HZ2 LYS 52 1HZ LYS 52 11.777 2.341 4.693 427 HZ3 LYS 52 2HZ LYS 52 10.220 2.538 5.311 428 H ALA 53 H ALA 53 4.912 0.919 5.653 429 HA ALA 53 HA ALA 53 4.321 -1.103 7.548 430 HB1 ALA 53 3HB ALA 53 2.016 -0.246 7.429 431 HB2 ALA 53 1HB ALA 53 2.420 0.658 5.966 432 HB3 ALA 53 2HB ALA 53 3.181 1.079 7.504 433 H VAL 54 H VAL 54 3.807 -0.828 4.092 434 HA VAL 54 HA VAL 54 2.297 -3.131 3.579 435 HB VAL 54 HB VAL 54 4.465 -1.814 1.887 436 HG11 VAL 54 1HG1 VAL 54 2.357 -3.817 1.019 437 HG12 VAL 54 2HG1 VAL 54 4.091 -4.125 1.126 438 HG13 VAL 54 3HG1 VAL 54 3.479 -2.966 -0.051 439 HG21 VAL 54 3HG2 VAL 54 2.597 -0.737 0.684 440 HG22 VAL 54 1HG2 VAL 54 2.569 -0.312 2.398 441 HG23 VAL 54 2HG2 VAL 54 1.441 -1.515 1.769 442 H LYS 55 H LYS 55 5.849 -2.696 3.808 443 HA LYS 55 HA LYS 55 6.631 -5.352 3.371 444 HB2 LYS 55 2HB LYS 55 8.043 -3.155 4.924 445 HB3 LYS 55 3HB LYS 55 8.778 -4.722 4.584 446 HG2 LYS 55 2HG LYS 55 8.484 -4.279 2.136 447 HG3 LYS 55 3HG LYS 55 7.899 -2.657 2.536 448 HD2 LYS 55 2HD LYS 55 10.049 -2.067 3.524 449 HD3 LYS 55 3HD LYS 55 10.634 -3.726 3.348 450 HE2 LYS 55 2HE LYS 55 9.996 -1.795 1.093 451 HE3 LYS 55 3HE LYS 55 11.601 -2.307 1.615 452 HZ1 LYS 55 3HZ LYS 55 11.074 -4.563 0.943 453 HZ2 LYS 55 1HZ LYS 55 10.875 -3.498 -0.354 454 HZ3 LYS 55 2HZ LYS 55 9.523 -4.092 0.458 455 H LYS 56 H LYS 56 5.358 -3.885 6.292 456 HA LYS 56 HA LYS 56 6.099 -5.944 8.131 457 HB2 LYS 56 2HB LYS 56 4.062 -3.713 8.183 458 HB3 LYS 56 3HB LYS 56 3.936 -4.982 9.383 459 HG2 LYS 56 2HG LYS 56 5.076 -3.124 10.361 460 HG3 LYS 56 3HG LYS 56 6.222 -4.445 10.179 461 HD2 LYS 56 2HD LYS 56 6.115 -2.345 8.022 462 HD3 LYS 56 3HD LYS 56 6.846 -1.914 9.564 463 HE2 LYS 56 2HE LYS 56 7.715 -4.229 7.801 464 HE3 LYS 56 3HE LYS 56 8.527 -2.668 7.924 465 HZ1 LYS 56 3HZ LYS 56 8.928 -3.125 10.285 466 HZ2 LYS 56 1HZ LYS 56 9.631 -4.303 9.290 467 HZ3 LYS 56 2HZ LYS 56 8.203 -4.646 10.124 468 H VAL 57 H VAL 57 3.422 -5.523 5.899 469 HA VAL 57 HA VAL 57 1.988 -7.908 6.784 470 HB VAL 57 HB VAL 57 1.444 -6.112 4.378 471 HG11 VAL 57 1HG1 VAL 57 -0.864 -7.012 4.492 472 HG12 VAL 57 2HG1 VAL 57 -0.378 -8.081 5.811 473 HG13 VAL 57 3HG1 VAL 57 0.318 -8.293 4.203 474 HG21 VAL 57 3HG2 VAL 57 1.388 -4.774 6.445 475 HG22 VAL 57 1HG2 VAL 57 0.261 -5.925 7.173 476 HG23 VAL 57 2HG2 VAL 57 -0.238 -4.959 5.780 477 H LYS 58 H LYS 58 4.355 -7.007 4.392 478 HA LYS 58 HA LYS 58 4.661 -9.682 3.403 479 HB2 LYS 58 2HB LYS 58 4.399 -9.110 0.966 480 HB3 LYS 58 3HB LYS 58 2.890 -9.139 1.866 481 HG2 LYS 58 2HG LYS 58 2.914 -6.657 1.949 482 HG3 LYS 58 3HG LYS 58 4.404 -6.647 1.010 483 HD2 LYS 58 2HD LYS 58 1.798 -7.855 0.007 484 HD3 LYS 58 3HD LYS 58 2.259 -6.180 -0.286 485 HE2 LYS 58 2HE LYS 58 2.822 -7.399 -2.257 486 HE3 LYS 58 3HE LYS 58 4.341 -7.064 -1.436 487 HZ1 LYS 58 3HZ LYS 58 2.871 -9.634 -1.355 488 HZ2 LYS 58 1HZ LYS 58 4.351 -9.328 -0.610 489 HZ3 LYS 58 2HZ LYS 58 4.232 -9.315 -2.294 490 HA PRO 59 HA PRO 59 8.691 -7.469 3.936 491 HB2 PRO 59 2HB PRO 59 9.681 -10.303 3.643 492 HB3 PRO 59 3HB PRO 59 10.072 -9.096 4.890 493 HG2 PRO 59 2HG PRO 59 8.450 -11.109 5.485 494 HG3 PRO 59 3HG PRO 59 8.088 -9.469 6.074 495 HD2 PRO 59 2HD PRO 59 6.852 -10.947 3.750 496 HD3 PRO 59 3HD PRO 59 6.062 -9.969 5.009 497 H ASN 60 H ASN 60 7.790 -9.731 1.426 498 HA ASN 60 HA ASN 60 10.041 -9.031 -0.320 499 HB2 ASN 60 2HB ASN 60 7.710 -10.960 -0.721 500 HB3 ASN 60 3HB ASN 60 9.065 -10.774 -1.829 501 HD21 ASN 60 1HD2 ASN 60 11.165 -10.615 0.134 502 HD22 ASN 60 2HD2 ASN 60 11.274 -12.169 0.873 503 H ALA 61 H ALA 61 7.709 -7.155 0.435 504 HA ALA 61 HA ALA 61 6.029 -6.593 -1.685 505 HB1 ALA 61 3HB ALA 61 5.852 -4.319 -0.756 506 HB2 ALA 61 1HB ALA 61 7.309 -4.590 0.209 507 HB3 ALA 61 2HB ALA 61 5.848 -5.527 0.531 508 H THR 62 H THR 62 6.615 -6.362 -3.764 509 HA THR 62 HA THR 62 8.991 -4.908 -4.596 510 HB THR 62 HB THR 62 6.715 -5.989 -6.326 511 HG1 THR 62 HG1 THR 62 8.707 -7.313 -4.959 512 HG21 THR 62 3HG2 THR 62 9.622 -5.389 -7.022 513 HG22 THR 62 1HG2 THR 62 8.224 -4.421 -7.513 514 HG23 THR 62 2HG2 THR 62 8.412 -6.067 -8.114 515 H ILE 63 H ILE 63 8.807 -2.750 -4.164 516 HA ILE 63 HA ILE 63 6.214 -1.402 -4.377 517 HB ILE 63 HB ILE 63 8.811 -0.441 -3.088 518 HG12 ILE 63 2HG1 ILE 63 6.366 -1.687 -1.747 519 HG13 ILE 63 3HG1 ILE 63 7.892 -2.517 -2.018 520 HG21 ILE 63 1HG2 ILE 63 7.319 1.424 -3.703 521 HG22 ILE 63 2HG2 ILE 63 7.389 1.240 -1.950 522 HG23 ILE 63 3HG2 ILE 63 5.983 0.656 -2.841 523 HD11 ILE 63 3HD1 ILE 63 7.427 -0.156 -0.213 524 HD12 ILE 63 1HD1 ILE 63 9.002 -0.882 -0.544 525 HD13 ILE 63 2HD1 ILE 63 7.745 -1.822 0.253 526 H ARG 64 H ARG 64 5.840 -0.373 -6.173 527 HA ARG 64 HA ARG 64 7.945 0.827 -7.838 528 HB2 ARG 64 2HB ARG 64 4.937 0.558 -8.304 529 HB3 ARG 64 3HB ARG 64 6.081 1.254 -9.451 530 HG2 ARG 64 2HG ARG 64 6.075 -1.628 -8.486 531 HG3 ARG 64 3HG ARG 64 5.460 -1.057 -10.038 532 HD2 ARG 64 2HD ARG 64 7.781 -0.223 -10.562 533 HD3 ARG 64 3HD ARG 64 8.341 -1.009 -9.081 534 HE ARG 64 HE ARG 64 7.187 -3.064 -10.265 535 HH11 ARG 64 1HH1 ARG 64 9.287 -0.649 -11.707 536 HH12 ARG 64 2HH1 ARG 64 9.902 -1.727 -12.916 537 HH21 ARG 64 1HH2 ARG 64 7.956 -4.460 -11.879 538 HH22 ARG 64 2HH2 ARG 64 9.142 -3.892 -13.013 539 H LYS 65 H LYS 65 8.567 2.715 -6.965 540 HA LYS 65 HA LYS 65 6.583 4.431 -5.592 541 HB2 LYS 65 2HB LYS 65 8.282 3.548 -4.071 542 HB3 LYS 65 3HB LYS 65 9.574 4.105 -5.129 543 HG2 LYS 65 2HG LYS 65 8.989 6.445 -4.668 544 HG3 LYS 65 3HG LYS 65 7.622 5.926 -3.673 545 HD2 LYS 65 2HD LYS 65 9.170 4.847 -2.089 546 HD3 LYS 65 3HD LYS 65 10.544 5.314 -3.091 547 HE2 LYS 65 2HE LYS 65 10.092 7.675 -2.652 548 HE3 LYS 65 3HE LYS 65 8.648 7.251 -1.725 549 HZ1 LYS 65 3HZ LYS 65 10.561 7.715 -0.306 550 HZ2 LYS 65 1HZ LYS 65 11.421 6.452 -1.027 551 HZ3 LYS 65 2HZ LYS 65 10.025 6.118 -0.125 552 H THR 66 H THR 66 6.078 6.205 -6.639 553 HA THR 66 HA THR 66 8.172 7.732 -8.052 554 HB THR 66 HB THR 66 6.936 6.840 -9.878 555 HG1 THR 66 HG1 THR 66 5.674 9.348 -9.454 556 HG21 THR 66 3HG2 THR 66 4.343 7.601 -8.491 557 HG22 THR 66 1HG2 THR 66 4.964 5.961 -8.697 558 HG23 THR 66 2HG2 THR 66 4.484 6.905 -10.107 559 H GLY 67 H GLY 67 8.438 9.590 -7.075 560 HA2 GLY 67 2HA GLY 67 6.293 10.792 -5.429 561 HA3 GLY 67 3HA GLY 67 8.019 11.131 -5.308 562 H GLY 68 H GLY 68 5.171 11.529 -7.324 563 HA2 GLY 68 2HA GLY 68 6.095 12.824 -9.550 564 HA3 GLY 68 3HA GLY 68 4.507 13.078 -8.859 565 H SER 69 H SER 69 7.508 14.449 -9.534 566 HA SER 69 HA SER 69 7.252 16.777 -7.786 567 HB2 SER 69 2HB SER 69 9.340 16.089 -9.912 568 HB3 SER 69 3HB SER 69 9.456 17.397 -8.734 569 HG SER 69 HG SER 69 9.375 14.603 -8.171 570 H LEU 70 H LEU 70 5.149 16.335 -9.737 571 HA LEU 70 HA LEU 70 5.378 17.806 -12.096 572 HB2 LEU 70 2HB LEU 70 2.977 17.765 -12.283 573 HB3 LEU 70 3HB LEU 70 3.518 16.220 -11.671 574 HG LEU 70 HG LEU 70 2.247 18.378 -9.922 575 HD11 LEU 70 1HD1 LEU 70 0.197 17.027 -9.946 576 HD12 LEU 70 2HD1 LEU 70 0.932 15.926 -11.118 577 HD13 LEU 70 3HD1 LEU 70 0.614 17.607 -11.557 578 HD21 LEU 70 3HD2 LEU 70 1.939 16.591 -8.262 579 HD22 LEU 70 1HD2 LEU 70 3.646 16.825 -8.638 580 HD23 LEU 70 2HD2 LEU 70 2.777 15.451 -9.322 581 H GLU 71 H GLU 71 5.947 19.841 -12.257 582 HA GLU 71 HA GLU 71 6.208 22.036 -12.004 583 HB2 GLU 71 2HB GLU 71 3.353 21.654 -11.161 584 HB3 GLU 71 3HB GLU 71 4.064 23.239 -10.896 585 HG2 GLU 71 2HG GLU 71 2.778 22.879 -13.089 586 HG3 GLU 71 3HG GLU 71 4.361 23.643 -13.185 587 H HIS 72 H HIS 72 7.521 20.540 -10.193 588 HA HIS 72 HA HIS 72 7.580 21.922 -7.645 589 HB2 HIS 72 2HB HIS 72 8.377 19.566 -7.847 590 HB3 HIS 72 3HB HIS 72 9.647 20.081 -8.948 591 HD1 HIS 72 HD1 HIS 72 8.724 20.005 -5.307 592 HD2 HIS 72 HD2 HIS 72 11.891 21.292 -7.674 593 HE1 HIS 72 HE1 HIS 72 10.607 20.502 -3.725 594 HE2 HIS 72 HE2 HIS 72 12.487 21.320 -5.178 595 H HIS 73 H HIS 73 7.399 23.931 -8.884 596 HA HIS 73 HA HIS 73 9.671 25.535 -8.804 597 HB2 HIS 73 2HB HIS 73 9.841 26.181 -11.247 598 HB3 HIS 73 3HB HIS 73 10.436 24.565 -10.898 599 HD1 HIS 73 HD1 HIS 73 7.625 26.361 -12.656 600 HD2 HIS 73 HD2 HIS 73 9.082 22.508 -12.201 601 HE1 HIS 73 HE1 HIS 73 6.412 24.978 -14.359 602 HE2 HIS 73 HE2 HIS 73 7.241 22.631 -13.990 603 H HIS 74 H HIS 74 8.061 26.386 -7.458 604 HA HIS 74 HA HIS 74 5.482 27.210 -8.501 605 HB2 HIS 74 2HB HIS 74 4.982 27.870 -6.219 606 HB3 HIS 74 3HB HIS 74 5.803 26.321 -6.175 607 HD1 HIS 74 HD1 HIS 74 5.580 28.806 -3.972 608 HD2 HIS 74 HD2 HIS 74 8.933 27.416 -5.998 609 HE1 HIS 74 HE1 HIS 74 7.552 29.480 -2.571 610 HE2 HIS 74 HE2 HIS 74 9.561 28.710 -3.866 611 H HIS 75 H HIS 75 4.707 29.307 -8.780 612 HA HIS 75 HA HIS 75 6.218 31.622 -7.997 613 HB2 HIS 75 2HB HIS 75 6.258 32.666 -10.319 614 HB3 HIS 75 3HB HIS 75 7.401 31.356 -10.072 615 HD1 HIS 75 HD1 HIS 75 7.500 29.748 -11.922 616 HD2 HIS 75 HD2 HIS 75 3.807 31.638 -11.802 617 HE1 HIS 75 HE1 HIS 75 6.259 28.926 -13.932 618 HE2 HIS 75 HE2 HIS 75 4.145 30.281 -13.963 619 H HIS 76 H HIS 76 4.958 33.349 -7.679 620 HA HIS 76 HA HIS 76 2.054 33.096 -8.136 621 HB2 HIS 76 2HB HIS 76 3.666 34.820 -6.201 622 HB3 HIS 76 3HB HIS 76 1.917 34.934 -6.383 623 HD1 HIS 76 HD1 HIS 76 0.665 33.615 -4.709 624 HD2 HIS 76 HD2 HIS 76 4.415 31.980 -5.421 625 HE1 HIS 76 HE1 HIS 76 0.852 31.648 -3.164 626 HE2 HIS 76 HE2 HIS 76 3.097 30.632 -3.675 627 H HIS 77 H HIS 77 4.285 34.075 -10.026 628 HA HIS 77 HA HIS 77 4.429 35.389 -11.843 629 HB2 HIS 77 2HB HIS 77 1.537 36.071 -11.177 630 HB3 HIS 77 3HB HIS 77 2.348 36.614 -12.642 631 HD1 HIS 77 HD1 HIS 77 1.932 35.141 -14.601 632 HD2 HIS 77 HD2 HIS 77 1.643 33.023 -11.034 633 HE1 HIS 77 HE1 HIS 77 1.222 32.822 -15.240 634 HE2 HIS 77 HE2 HIS 77 0.906 31.612 -13.060 Start of MODEL 11 1 H1 MET 1 1H MET 1 -0.768 14.440 -4.304 2 H2 MET 1 2H MET 1 0.835 14.578 -4.829 3 H3 MET 1 3H MET 1 0.452 13.568 -3.525 4 HA MET 1 HA MET 1 -0.767 12.115 -4.879 5 HB2 MET 1 2HB MET 1 -0.841 12.440 -7.378 6 HB3 MET 1 3HB MET 1 -1.764 13.628 -6.476 7 HG2 MET 1 2HG MET 1 -0.012 15.301 -6.840 8 HG3 MET 1 3HG MET 1 0.980 14.099 -7.672 9 HE1 MET 1 3HE MET 1 -0.002 16.211 -10.761 10 HE2 MET 1 1HE MET 1 1.300 15.403 -9.893 11 HE3 MET 1 2HE MET 1 0.492 16.797 -9.173 12 H VAL 2 H VAL 2 0.800 10.828 -4.113 13 HA VAL 2 HA VAL 2 3.285 10.460 -5.698 14 HB VAL 2 HB VAL 2 2.830 9.771 -2.754 15 HG11 VAL 2 1HG1 VAL 2 5.241 9.168 -2.720 16 HG12 VAL 2 2HG1 VAL 2 5.324 9.437 -4.460 17 HG13 VAL 2 3HG1 VAL 2 4.322 8.134 -3.819 18 HG21 VAL 2 3HG2 VAL 2 4.579 11.929 -3.981 19 HG22 VAL 2 1HG2 VAL 2 4.489 11.536 -2.262 20 HG23 VAL 2 2HG2 VAL 2 3.078 12.197 -3.091 21 H ASP 3 H ASP 3 3.409 8.533 -6.709 22 HA ASP 3 HA ASP 3 1.082 6.762 -6.522 23 HB2 ASP 3 2HB ASP 3 1.915 7.681 -8.766 24 HB3 ASP 3 3HB ASP 3 3.329 6.648 -8.586 25 H LEU 4 H LEU 4 1.308 5.232 -5.024 26 HA LEU 4 HA LEU 4 3.809 3.667 -4.809 27 HB2 LEU 4 2HB LEU 4 1.427 3.739 -2.902 28 HB3 LEU 4 3HB LEU 4 2.954 2.914 -2.629 29 HG LEU 4 HG LEU 4 2.536 5.930 -2.726 30 HD11 LEU 4 1HD1 LEU 4 1.705 4.931 -0.660 31 HD12 LEU 4 2HD1 LEU 4 3.149 5.889 -0.351 32 HD13 LEU 4 3HD1 LEU 4 3.254 4.127 -0.397 33 HD21 LEU 4 3HD2 LEU 4 4.711 5.393 -3.676 34 HD22 LEU 4 1HD2 LEU 4 5.105 4.385 -2.282 35 HD23 LEU 4 2HD2 LEU 4 4.906 6.129 -2.088 36 H LYS 5 H LYS 5 3.676 2.000 -6.196 37 HA LYS 5 HA LYS 5 1.129 0.518 -6.514 38 HB2 LYS 5 2HB LYS 5 2.195 1.869 -8.513 39 HB3 LYS 5 3HB LYS 5 3.367 0.565 -8.580 40 HG2 LYS 5 2HG LYS 5 0.368 0.193 -8.861 41 HG3 LYS 5 3HG LYS 5 1.480 0.353 -10.215 42 HD2 LYS 5 2HD LYS 5 1.519 -1.877 -8.150 43 HD3 LYS 5 3HD LYS 5 0.874 -2.002 -9.786 44 HE2 LYS 5 2HE LYS 5 3.084 -1.694 -10.743 45 HE3 LYS 5 3HE LYS 5 3.773 -1.356 -9.152 46 HZ1 LYS 5 3HZ LYS 5 3.261 -3.605 -8.474 47 HZ2 LYS 5 1HZ LYS 5 4.199 -3.639 -9.878 48 HZ3 LYS 5 2HZ LYS 5 2.544 -3.934 -9.966 49 H ILE 6 H ILE 6 1.231 -1.386 -5.474 50 HA ILE 6 HA ILE 6 3.853 -2.696 -4.956 51 HB ILE 6 HB ILE 6 1.335 -2.844 -3.206 52 HG12 ILE 6 2HG1 ILE 6 2.953 -1.724 -1.448 53 HG13 ILE 6 3HG1 ILE 6 3.898 -1.237 -2.844 54 HG21 ILE 6 1HG2 ILE 6 4.085 -4.065 -2.765 55 HG22 ILE 6 2HG2 ILE 6 2.611 -4.946 -3.172 56 HG23 ILE 6 3HG2 ILE 6 2.746 -4.126 -1.616 57 HD11 ILE 6 3HD1 ILE 6 2.459 0.552 -2.072 58 HD12 ILE 6 1HD1 ILE 6 1.035 -0.468 -2.289 59 HD13 ILE 6 2HD1 ILE 6 1.984 0.034 -3.689 60 H ASP 7 H ASP 7 4.005 -4.820 -5.673 61 HA ASP 7 HA ASP 7 1.799 -6.001 -7.169 62 HB2 ASP 7 2HB ASP 7 4.565 -7.096 -6.479 63 HB3 ASP 7 3HB ASP 7 3.434 -7.862 -7.589 64 H VAL 8 H VAL 8 0.334 -7.470 -6.385 65 HA VAL 8 HA VAL 8 0.910 -8.929 -3.881 66 HB VAL 8 HB VAL 8 -1.462 -8.662 -3.100 67 HG11 VAL 8 1HG1 VAL 8 0.313 -7.328 -2.081 68 HG12 VAL 8 2HG1 VAL 8 -1.185 -6.401 -2.147 69 HG13 VAL 8 3HG1 VAL 8 0.110 -6.068 -3.302 70 HG21 VAL 8 3HG2 VAL 8 -2.538 -8.029 -5.219 71 HG22 VAL 8 1HG2 VAL 8 -1.675 -6.492 -5.217 72 HG23 VAL 8 2HG2 VAL 8 -2.873 -6.835 -3.965 73 H SER 9 H SER 9 0.170 -10.960 -3.768 74 HA SER 9 HA SER 9 -0.130 -12.352 -6.244 75 HB2 SER 9 2HB SER 9 1.202 -13.255 -4.357 76 HB3 SER 9 3HB SER 9 -0.261 -13.408 -3.381 77 HG SER 9 HG SER 9 -0.840 -15.128 -4.492 78 H ASP 10 H ASP 10 -2.243 -12.362 -3.343 79 HA ASP 10 HA ASP 10 -4.462 -13.390 -5.013 80 HB2 ASP 10 2HB ASP 10 -3.851 -13.694 -2.046 81 HB3 ASP 10 3HB ASP 10 -5.371 -14.203 -2.772 82 H ASP 11 H ASP 11 -6.624 -12.946 -3.681 83 HA ASP 11 HA ASP 11 -7.065 -10.064 -3.981 84 HB2 ASP 11 2HB ASP 11 -8.539 -11.808 -5.091 85 HB3 ASP 11 3HB ASP 11 -9.093 -12.303 -3.493 86 H GLU 12 H GLU 12 -6.853 -12.526 -1.540 87 HA GLU 12 HA GLU 12 -7.885 -11.022 0.693 88 HB2 GLU 12 2HB GLU 12 -7.932 -13.496 0.689 89 HB3 GLU 12 3HB GLU 12 -6.182 -13.548 0.501 90 HG2 GLU 12 2HG GLU 12 -5.993 -12.376 2.734 91 HG3 GLU 12 3HG GLU 12 -7.732 -12.592 2.920 92 H GLU 13 H GLU 13 -4.684 -12.081 -0.497 93 HA GLU 13 HA GLU 13 -2.927 -10.662 0.982 94 HB2 GLU 13 2HB GLU 13 -2.294 -12.212 -0.797 95 HB3 GLU 13 3HB GLU 13 -2.882 -11.099 -2.025 96 HG2 GLU 13 2HG GLU 13 -0.453 -11.055 -1.939 97 HG3 GLU 13 3HG GLU 13 -1.099 -9.500 -1.412 98 H ALA 14 H ALA 14 -4.854 -9.331 -1.694 99 HA ALA 14 HA ALA 14 -3.824 -6.726 -1.718 100 HB1 ALA 14 3HB ALA 14 -5.328 -7.581 -3.463 101 HB2 ALA 14 1HB ALA 14 -5.955 -6.078 -2.792 102 HB3 ALA 14 2HB ALA 14 -6.669 -7.625 -2.316 103 H GLU 15 H GLU 15 -6.404 -8.169 0.269 104 HA GLU 15 HA GLU 15 -7.342 -5.849 1.588 105 HB2 GLU 15 2HB GLU 15 -7.389 -8.767 2.473 106 HB3 GLU 15 3HB GLU 15 -8.282 -7.482 3.277 107 HG2 GLU 15 2HG GLU 15 -9.693 -7.160 1.334 108 HG3 GLU 15 3HG GLU 15 -8.715 -8.276 0.382 109 H LYS 16 H LYS 16 -4.688 -8.067 2.257 110 HA LYS 16 HA LYS 16 -4.163 -7.463 4.952 111 HB2 LYS 16 2HB LYS 16 -2.157 -8.270 2.809 112 HB3 LYS 16 3HB LYS 16 -1.910 -8.411 4.541 113 HG2 LYS 16 2HG LYS 16 -4.008 -9.935 2.978 114 HG3 LYS 16 3HG LYS 16 -2.414 -10.558 3.373 115 HD2 LYS 16 2HD LYS 16 -3.709 -11.524 5.047 116 HD3 LYS 16 3HD LYS 16 -3.134 -10.079 5.870 117 HE2 LYS 16 2HE LYS 16 -5.307 -8.971 5.375 118 HE3 LYS 16 3HE LYS 16 -5.862 -10.444 4.576 119 HZ1 LYS 16 3HZ LYS 16 -6.674 -10.314 6.830 120 HZ2 LYS 16 1HZ LYS 16 -5.103 -10.208 7.437 121 HZ3 LYS 16 2HZ LYS 16 -5.622 -11.626 6.672 122 H ILE 17 H ILE 17 -3.145 -5.913 1.975 123 HA ILE 17 HA ILE 17 -1.277 -4.064 3.170 124 HB ILE 17 HB ILE 17 -2.572 -3.863 0.414 125 HG12 ILE 17 2HG1 ILE 17 -1.684 -6.109 0.517 126 HG13 ILE 17 3HG1 ILE 17 -0.589 -5.153 -0.463 127 HG21 ILE 17 1HG2 ILE 17 0.097 -2.834 1.427 128 HG22 ILE 17 2HG2 ILE 17 -1.333 -1.862 1.071 129 HG23 ILE 17 3HG2 ILE 17 -0.489 -2.701 -0.233 130 HD11 ILE 17 3HD1 ILE 17 0.603 -6.689 0.959 131 HD12 ILE 17 1HD1 ILE 17 -0.136 -5.995 2.400 132 HD13 ILE 17 2HD1 ILE 17 0.979 -5.030 1.425 133 H ILE 18 H ILE 18 -4.531 -3.947 1.798 134 HA ILE 18 HA ILE 18 -5.082 -1.224 1.904 135 HB ILE 18 HB ILE 18 -7.031 -3.576 2.065 136 HG12 ILE 18 2HG1 ILE 18 -6.221 -1.859 -0.336 137 HG13 ILE 18 3HG1 ILE 18 -5.630 -3.482 -0.026 138 HG21 ILE 18 1HG2 ILE 18 -8.131 -1.543 2.912 139 HG22 ILE 18 2HG2 ILE 18 -8.797 -1.992 1.342 140 HG23 ILE 18 3HG2 ILE 18 -7.646 -0.660 1.463 141 HD11 ILE 18 3HD1 ILE 18 -7.345 -3.489 -1.729 142 HD12 ILE 18 1HD1 ILE 18 -8.489 -2.720 -0.626 143 HD13 ILE 18 2HD1 ILE 18 -7.905 -4.353 -0.300 144 H ARG 19 H ARG 19 -5.786 -3.757 4.349 145 HA ARG 19 HA ARG 19 -7.148 -2.239 6.250 146 HB2 ARG 19 2HB ARG 19 -5.359 -4.678 6.640 147 HB3 ARG 19 3HB ARG 19 -6.308 -3.978 7.943 148 HG2 ARG 19 2HG ARG 19 -7.439 -5.140 5.382 149 HG3 ARG 19 3HG ARG 19 -7.406 -5.950 6.946 150 HD2 ARG 19 2HD ARG 19 -8.882 -4.174 7.877 151 HD3 ARG 19 3HD ARG 19 -8.923 -3.395 6.294 152 HE ARG 19 HE ARG 19 -9.803 -5.892 5.742 153 HH11 ARG 19 1HH1 ARG 19 -10.861 -3.482 8.097 154 HH12 ARG 19 2HH1 ARG 19 -12.507 -4.039 8.094 155 HH21 ARG 19 1HH2 ARG 19 -11.930 -6.628 5.790 156 HH22 ARG 19 2HH2 ARG 19 -13.115 -5.829 6.783 157 H GLU 20 H GLU 20 -3.621 -2.832 6.011 158 HA GLU 20 HA GLU 20 -2.765 -1.504 8.326 159 HB2 GLU 20 2HB GLU 20 -1.349 -1.830 5.653 160 HB3 GLU 20 3HB GLU 20 -0.551 -1.289 7.126 161 HG2 GLU 20 2HG GLU 20 -1.882 -3.977 6.725 162 HG3 GLU 20 3HG GLU 20 -0.147 -3.669 6.658 163 H ILE 21 H ILE 21 -3.165 -0.311 5.027 164 HA ILE 21 HA ILE 21 -2.259 2.336 5.524 165 HB ILE 21 HB ILE 21 -4.016 1.322 3.246 166 HG12 ILE 21 2HG1 ILE 21 -1.912 0.051 3.327 167 HG13 ILE 21 3HG1 ILE 21 -1.879 1.136 1.947 168 HG21 ILE 21 1HG2 ILE 21 -3.162 3.275 1.984 169 HG22 ILE 21 2HG2 ILE 21 -2.337 3.844 3.434 170 HG23 ILE 21 3HG2 ILE 21 -4.099 3.762 3.402 171 HD11 ILE 21 3HD1 ILE 21 -0.386 2.658 3.187 172 HD12 ILE 21 1HD1 ILE 21 0.282 1.033 3.045 173 HD13 ILE 21 2HD1 ILE 21 -0.425 1.559 4.571 174 H ARG 22 H ARG 22 -5.537 0.934 5.290 175 HA ARG 22 HA ARG 22 -7.134 3.168 5.548 176 HB2 ARG 22 2HB ARG 22 -7.577 0.316 6.495 177 HB3 ARG 22 3HB ARG 22 -8.842 1.530 6.580 178 HG2 ARG 22 2HG ARG 22 -7.507 0.747 3.974 179 HG3 ARG 22 3HG ARG 22 -8.913 -0.092 4.622 180 HD2 ARG 22 2HD ARG 22 -9.698 1.475 3.005 181 HD3 ARG 22 3HD ARG 22 -10.149 2.095 4.594 182 HE ARG 22 HE ARG 22 -7.659 3.166 3.591 183 HH11 ARG 22 1HH1 ARG 22 -11.163 3.584 3.542 184 HH12 ARG 22 2HH1 ARG 22 -11.072 5.260 3.122 185 HH21 ARG 22 1HH2 ARG 22 -7.587 5.376 3.001 186 HH22 ARG 22 2HH2 ARG 22 -9.062 6.264 2.820 187 H GLU 23 H GLU 23 -5.674 1.235 8.189 188 HA GLU 23 HA GLU 23 -7.327 2.441 10.215 189 HB2 GLU 23 2HB GLU 23 -4.933 0.584 10.439 190 HB3 GLU 23 3HB GLU 23 -5.935 1.072 11.799 191 HG2 GLU 23 2HG GLU 23 -6.858 -0.513 9.391 192 HG3 GLU 23 3HG GLU 23 -6.545 -1.161 10.996 193 H GLN 24 H GLN 24 -3.934 2.859 9.175 194 HA GLN 24 HA GLN 24 -3.450 4.821 11.286 195 HB2 GLN 24 2HB GLN 24 -1.792 2.989 10.394 196 HB3 GLN 24 3HB GLN 24 -1.477 4.121 9.083 197 HG2 GLN 24 2HG GLN 24 -0.624 5.774 10.614 198 HG3 GLN 24 3HG GLN 24 -1.181 4.860 12.013 199 HE21 GLN 24 1HE2 GLN 24 1.264 5.127 9.580 200 HE22 GLN 24 2HE2 GLN 24 2.353 3.971 10.249 201 H TRP 25 H TRP 25 -3.967 4.744 7.806 202 HA TRP 25 HA TRP 25 -4.346 7.699 7.781 203 HB2 TRP 25 2HB TRP 25 -3.277 5.994 5.484 204 HB3 TRP 25 3HB TRP 25 -3.617 7.718 5.403 205 HD1 TRP 25 HD1 TRP 25 -1.853 9.367 6.695 206 HE1 TRP 25 HE1 TRP 25 0.620 9.018 7.295 207 HE3 TRP 25 HE3 TRP 25 -1.600 4.271 6.213 208 HZ2 TRP 25 HZ2 TRP 25 2.439 6.886 7.535 209 HZ3 TRP 25 HZ3 TRP 25 0.551 3.155 6.643 210 HH2 TRP 25 HH2 TRP 25 2.530 4.438 7.290 211 HA PRO 26 HA PRO 26 -8.399 5.684 6.546 212 HB2 PRO 26 2HB PRO 26 -10.014 7.570 7.742 213 HB3 PRO 26 3HB PRO 26 -9.314 6.194 8.618 214 HG2 PRO 26 2HG PRO 26 -8.337 9.033 8.506 215 HG3 PRO 26 3HG PRO 26 -8.507 7.959 9.914 216 HD2 PRO 26 2HD PRO 26 -6.112 8.367 8.713 217 HD3 PRO 26 3HD PRO 26 -6.540 6.799 9.438 218 H LYS 27 H LYS 27 -6.961 8.752 5.941 219 HA LYS 27 HA LYS 27 -8.904 9.545 3.888 220 HB2 LYS 27 2HB LYS 27 -7.600 11.621 3.762 221 HB3 LYS 27 3HB LYS 27 -8.043 11.257 5.425 222 HG2 LYS 27 2HG LYS 27 -5.785 10.402 5.875 223 HG3 LYS 27 3HG LYS 27 -5.315 10.711 4.201 224 HD2 LYS 27 2HD LYS 27 -5.573 13.118 4.523 225 HD3 LYS 27 3HD LYS 27 -6.218 12.871 6.151 226 HE2 LYS 27 2HE LYS 27 -4.040 11.872 6.825 227 HE3 LYS 27 3HE LYS 27 -3.405 12.210 5.215 228 HZ1 LYS 27 3HZ LYS 27 -3.747 14.559 5.609 229 HZ2 LYS 27 1HZ LYS 27 -2.763 13.897 6.810 230 HZ3 LYS 27 2HZ LYS 27 -4.384 14.238 7.142 231 H ALA 28 H ALA 28 -5.955 7.780 4.051 232 HA ALA 28 HA ALA 28 -4.696 8.542 1.638 233 HB1 ALA 28 3HB ALA 28 -3.521 7.277 3.373 234 HB2 ALA 28 1HB ALA 28 -3.437 6.428 1.830 235 HB3 ALA 28 2HB ALA 28 -4.552 5.876 3.085 236 H THR 29 H THR 29 -5.414 8.309 -0.360 237 HA THR 29 HA THR 29 -7.794 6.893 -1.025 238 HB THR 29 HB THR 29 -5.720 8.284 -2.765 239 HG1 THR 29 HG1 THR 29 -7.392 9.942 -2.741 240 HG21 THR 29 3HG2 THR 29 -8.528 7.407 -3.547 241 HG22 THR 29 1HG2 THR 29 -7.024 6.724 -4.170 242 HG23 THR 29 2HG2 THR 29 -7.449 8.398 -4.530 243 H VAL 30 H VAL 30 -7.664 4.707 -0.834 244 HA VAL 30 HA VAL 30 -5.476 3.193 -2.110 245 HB VAL 30 HB VAL 30 -7.763 2.061 -0.405 246 HG11 VAL 30 1HG1 VAL 30 -6.318 0.061 -0.204 247 HG12 VAL 30 2HG1 VAL 30 -5.105 0.822 -1.234 248 HG13 VAL 30 3HG1 VAL 30 -6.686 0.408 -1.896 249 HG21 VAL 30 3HG2 VAL 30 -6.432 3.623 0.967 250 HG22 VAL 30 1HG2 VAL 30 -4.952 2.775 0.516 251 HG23 VAL 30 2HG2 VAL 30 -6.179 1.956 1.486 252 H THR 31 H THR 31 -5.916 3.077 -4.278 253 HA THR 31 HA THR 31 -8.604 2.371 -5.230 254 HB THR 31 HB THR 31 -6.034 3.104 -6.714 255 HG1 THR 31 HG1 THR 31 -8.215 4.581 -5.750 256 HG21 THR 31 3HG2 THR 31 -7.453 3.358 -8.720 257 HG22 THR 31 1HG2 THR 31 -8.848 2.754 -7.824 258 HG23 THR 31 2HG2 THR 31 -7.473 1.693 -8.143 259 H ARG 32 H ARG 32 -9.051 0.303 -5.907 260 HA ARG 32 HA ARG 32 -7.048 -1.779 -5.471 261 HB2 ARG 32 2HB ARG 32 -9.386 -1.989 -4.549 262 HB3 ARG 32 3HB ARG 32 -9.996 -2.040 -6.198 263 HG2 ARG 32 2HG ARG 32 -8.537 -4.104 -6.551 264 HG3 ARG 32 3HG ARG 32 -8.243 -4.087 -4.810 265 HD2 ARG 32 2HD ARG 32 -10.017 -5.648 -5.257 266 HD3 ARG 32 3HD ARG 32 -10.732 -4.248 -4.456 267 HE ARG 32 HE ARG 32 -11.230 -3.551 -6.914 268 HH11 ARG 32 1HH1 ARG 32 -11.449 -6.845 -5.674 269 HH12 ARG 32 2HH1 ARG 32 -12.663 -7.317 -6.814 270 HH21 ARG 32 1HH2 ARG 32 -12.794 -4.187 -8.398 271 HH22 ARG 32 2HH2 ARG 32 -13.425 -5.801 -8.366 272 H THR 33 H THR 33 -6.144 -2.951 -7.099 273 HA THR 33 HA THR 33 -7.174 -2.805 -9.858 274 HB THR 33 HB THR 33 -4.767 -2.692 -10.693 275 HG1 THR 33 HG1 THR 33 -4.180 -3.001 -8.154 276 HG21 THR 33 3HG2 THR 33 -6.115 -0.614 -10.733 277 HG22 THR 33 1HG2 THR 33 -4.423 -0.257 -10.374 278 HG23 THR 33 2HG2 THR 33 -5.621 -0.253 -9.078 279 H ASN 34 H ASN 34 -7.249 -4.954 -10.737 280 HA ASN 34 HA ASN 34 -6.895 -7.139 -9.027 281 HB2 ASN 34 2HB ASN 34 -7.153 -6.974 -12.062 282 HB3 ASN 34 3HB ASN 34 -7.122 -8.506 -11.192 283 HD21 ASN 34 1HD2 ASN 34 -9.175 -8.953 -12.082 284 HD22 ASN 34 2HD2 ASN 34 -10.605 -8.240 -11.430 285 H GLY 35 H GLY 35 -4.919 -7.616 -8.203 286 HA2 GLY 35 2HA GLY 35 -3.000 -9.061 -8.518 287 HA3 GLY 35 3HA GLY 35 -2.694 -8.280 -10.059 288 H ASP 36 H ASP 36 -3.481 -5.706 -8.260 289 HA ASP 36 HA ASP 36 -0.886 -5.388 -6.885 290 HB2 ASP 36 2HB ASP 36 -1.876 -3.504 -9.071 291 HB3 ASP 36 3HB ASP 36 -0.510 -3.176 -8.015 292 H ILE 37 H ILE 37 -0.787 -3.296 -5.693 293 HA ILE 37 HA ILE 37 -3.402 -2.228 -4.831 294 HB ILE 37 HB ILE 37 -0.728 -2.360 -3.345 295 HG12 ILE 37 2HG1 ILE 37 -2.040 -4.473 -3.319 296 HG13 ILE 37 3HG1 ILE 37 -1.944 -3.763 -1.715 297 HG21 ILE 37 1HG2 ILE 37 -1.849 -1.240 -1.430 298 HG22 ILE 37 2HG2 ILE 37 -3.284 -0.976 -2.422 299 HG23 ILE 37 3HG2 ILE 37 -1.764 -0.184 -2.843 300 HD11 ILE 37 3HD1 ILE 37 -4.150 -4.643 -2.127 301 HD12 ILE 37 1HD1 ILE 37 -4.321 -3.651 -3.572 302 HD13 ILE 37 2HD1 ILE 37 -4.237 -2.891 -1.979 303 H LYS 38 H LYS 38 -3.793 -0.337 -5.805 304 HA LYS 38 HA LYS 38 -1.609 1.527 -6.440 305 HB2 LYS 38 2HB LYS 38 -3.331 1.114 -8.181 306 HB3 LYS 38 3HB LYS 38 -4.598 1.633 -7.076 307 HG2 LYS 38 2HG LYS 38 -4.112 3.416 -8.659 308 HG3 LYS 38 3HG LYS 38 -3.616 3.914 -7.040 309 HD2 LYS 38 2HD LYS 38 -1.951 4.584 -8.718 310 HD3 LYS 38 3HD LYS 38 -1.259 3.404 -7.605 311 HE2 LYS 38 2HE LYS 38 -1.567 1.632 -9.286 312 HE3 LYS 38 3HE LYS 38 -2.322 2.788 -10.387 313 HZ1 LYS 38 3HZ LYS 38 0.029 2.380 -10.898 314 HZ2 LYS 38 1HZ LYS 38 0.473 2.993 -9.382 315 HZ3 LYS 38 2HZ LYS 38 -0.266 4.000 -10.516 316 H LEU 39 H LEU 39 -1.123 3.069 -4.989 317 HA LEU 39 HA LEU 39 -3.167 4.020 -3.072 318 HB2 LEU 39 2HB LEU 39 -1.709 2.434 -1.888 319 HB3 LEU 39 3HB LEU 39 -0.275 3.287 -2.437 320 HG LEU 39 HG LEU 39 -0.859 5.244 -1.051 321 HD11 LEU 39 1HD1 LEU 39 -2.748 5.210 0.523 322 HD12 LEU 39 2HD1 LEU 39 -3.310 3.687 -0.170 323 HD13 LEU 39 3HD1 LEU 39 -3.299 5.154 -1.152 324 HD21 LEU 39 3HD2 LEU 39 0.493 3.481 -0.039 325 HD22 LEU 39 1HD2 LEU 39 -0.964 2.658 0.522 326 HD23 LEU 39 2HD2 LEU 39 -0.539 4.247 1.167 327 H ASP 40 H ASP 40 -3.270 6.165 -2.943 328 HA ASP 40 HA ASP 40 -1.215 7.856 -4.221 329 HB2 ASP 40 2HB ASP 40 -3.483 8.069 -5.188 330 HB3 ASP 40 3HB ASP 40 -4.143 8.429 -3.598 331 H ALA 41 H ALA 41 0.201 8.330 -2.654 332 HA ALA 41 HA ALA 41 -0.570 9.126 0.044 333 HB1 ALA 41 3HB ALA 41 1.485 7.834 -0.267 334 HB2 ALA 41 1HB ALA 41 1.857 9.423 0.404 335 HB3 ALA 41 2HB ALA 41 2.148 9.091 -1.305 336 H GLN 42 H GLN 42 -0.343 11.207 0.886 337 HA GLN 42 HA GLN 42 -0.878 13.339 -0.964 338 HB2 GLN 42 2HB GLN 42 -1.989 13.150 1.263 339 HB3 GLN 42 3HB GLN 42 -0.447 13.465 2.044 340 HG2 GLN 42 2HG GLN 42 -1.829 15.472 2.052 341 HG3 GLN 42 3HG GLN 42 -0.404 15.727 1.049 342 HE21 GLN 42 1HE2 GLN 42 -3.855 15.128 0.992 343 HE22 GLN 42 2HE2 GLN 42 -4.135 15.762 -0.590 344 H THR 43 H THR 43 1.772 12.695 1.365 345 HA THR 43 HA THR 43 3.592 14.383 -0.269 346 HB THR 43 HB THR 43 3.069 15.655 1.744 347 HG1 THR 43 HG1 THR 43 5.088 16.219 1.891 348 HG21 THR 43 3HG2 THR 43 4.064 13.298 3.372 349 HG22 THR 43 1HG2 THR 43 2.387 13.843 3.268 350 HG23 THR 43 2HG2 THR 43 3.609 14.879 4.009 351 H GLU 44 H GLU 44 5.919 13.935 0.310 352 HA GLU 44 HA GLU 44 6.466 11.306 -0.617 353 HB2 GLU 44 2HB GLU 44 8.316 13.568 0.253 354 HB3 GLU 44 3HB GLU 44 8.892 12.057 -0.444 355 HG2 GLU 44 2HG GLU 44 8.863 13.820 -2.124 356 HG3 GLU 44 3HG GLU 44 7.714 12.551 -2.538 357 H LYS 45 H LYS 45 7.191 13.024 2.424 358 HA LYS 45 HA LYS 45 8.636 10.885 3.634 359 HB2 LYS 45 2HB LYS 45 7.329 13.255 5.019 360 HB3 LYS 45 3HB LYS 45 8.580 12.215 5.692 361 HG2 LYS 45 2HG LYS 45 10.153 12.994 3.932 362 HG3 LYS 45 3HG LYS 45 8.900 14.078 3.318 363 HD2 LYS 45 2HD LYS 45 8.852 15.201 5.578 364 HD3 LYS 45 3HD LYS 45 10.207 14.182 6.068 365 HE2 LYS 45 2HE LYS 45 11.584 15.169 4.260 366 HE3 LYS 45 3HE LYS 45 10.225 16.200 3.801 367 HZ1 LYS 45 3HZ LYS 45 10.306 17.195 6.016 368 HZ2 LYS 45 1HZ LYS 45 11.767 17.395 5.190 369 HZ3 LYS 45 2HZ LYS 45 11.645 16.236 6.409 370 H GLU 46 H GLU 46 5.245 11.608 3.409 371 HA GLU 46 HA GLU 46 4.368 9.807 5.497 372 HB2 GLU 46 2HB GLU 46 3.006 11.749 4.865 373 HB3 GLU 46 3HB GLU 46 2.891 11.175 3.207 374 HG2 GLU 46 2HG GLU 46 1.567 9.234 3.982 375 HG3 GLU 46 3HG GLU 46 1.703 9.811 5.643 376 H ALA 47 H ALA 47 4.951 9.756 2.011 377 HA ALA 47 HA ALA 47 3.812 7.203 1.439 378 HB1 ALA 47 3HB ALA 47 5.967 8.712 -0.066 379 HB2 ALA 47 1HB ALA 47 4.229 8.901 -0.280 380 HB3 ALA 47 2HB ALA 47 5.001 7.369 -0.690 381 H GLU 48 H GLU 48 7.000 8.220 2.554 382 HA GLU 48 HA GLU 48 8.420 5.801 2.208 383 HB2 GLU 48 2HB GLU 48 8.850 7.706 4.543 384 HB3 GLU 48 3HB GLU 48 10.035 6.651 3.789 385 HG2 GLU 48 2HG GLU 48 8.837 9.160 2.600 386 HG3 GLU 48 3HG GLU 48 10.458 8.988 3.257 387 H LYS 49 H LYS 49 6.129 6.870 4.635 388 HA LYS 49 HA LYS 49 6.605 4.655 6.479 389 HB2 LYS 49 2HB LYS 49 4.502 6.867 6.545 390 HB3 LYS 49 3HB LYS 49 4.841 5.728 7.847 391 HG2 LYS 49 2HG LYS 49 7.146 6.655 8.032 392 HG3 LYS 49 3HG LYS 49 6.745 7.835 6.779 393 HD2 LYS 49 2HD LYS 49 4.921 8.719 8.253 394 HD3 LYS 49 3HD LYS 49 5.428 7.588 9.511 395 HE2 LYS 49 2HE LYS 49 6.351 9.781 9.985 396 HE3 LYS 49 3HE LYS 49 7.669 8.696 9.541 397 HZ1 LYS 49 3HZ LYS 49 7.679 9.647 7.332 398 HZ2 LYS 49 1HZ LYS 49 7.862 10.870 8.488 399 HZ3 LYS 49 2HZ LYS 49 6.374 10.651 7.717 400 H MET 50 H MET 50 3.944 5.842 4.501 401 HA MET 50 HA MET 50 2.101 3.841 4.544 402 HB2 MET 50 2HB MET 50 2.957 5.450 2.117 403 HB3 MET 50 3HB MET 50 1.637 4.289 2.038 404 HG2 MET 50 2HG MET 50 0.481 5.550 3.851 405 HG3 MET 50 3HG MET 50 1.759 6.772 3.758 406 HE1 MET 50 3HE MET 50 -1.385 7.385 3.357 407 HE2 MET 50 1HE MET 50 -1.318 8.495 1.989 408 HE3 MET 50 2HE MET 50 -0.139 8.630 3.291 409 H GLU 51 H GLU 51 4.945 3.747 2.332 410 HA GLU 51 HA GLU 51 4.473 1.090 1.465 411 HB2 GLU 51 2HB GLU 51 6.720 1.072 0.579 412 HB3 GLU 51 3HB GLU 51 5.972 2.626 0.237 413 HG2 GLU 51 2HG GLU 51 7.364 3.775 1.695 414 HG3 GLU 51 3HG GLU 51 7.742 2.357 2.660 415 H LYS 52 H LYS 52 6.071 2.365 4.338 416 HA LYS 52 HA LYS 52 7.331 -0.063 5.177 417 HB2 LYS 52 2HB LYS 52 8.068 2.142 6.011 418 HB3 LYS 52 3HB LYS 52 6.507 2.400 6.782 419 HG2 LYS 52 2HG LYS 52 8.143 1.773 8.458 420 HG3 LYS 52 3HG LYS 52 6.956 0.477 8.289 421 HD2 LYS 52 2HD LYS 52 8.606 -0.723 6.782 422 HD3 LYS 52 3HD LYS 52 9.796 0.520 7.185 423 HE2 LYS 52 2HE LYS 52 8.456 -1.403 9.117 424 HE3 LYS 52 3HE LYS 52 10.134 -1.453 8.588 425 HZ1 LYS 52 3HZ LYS 52 8.869 0.649 10.256 426 HZ2 LYS 52 1HZ LYS 52 10.447 0.725 9.657 427 HZ3 LYS 52 2HZ LYS 52 10.015 -0.489 10.749 428 H ALA 53 H ALA 53 4.125 1.366 5.756 429 HA ALA 53 HA ALA 53 3.128 -0.560 7.552 430 HB1 ALA 53 3HB ALA 53 2.001 1.585 7.170 431 HB2 ALA 53 1HB ALA 53 0.894 0.238 6.914 432 HB3 ALA 53 2HB ALA 53 1.584 1.089 5.528 433 H VAL 54 H VAL 54 3.404 -0.507 4.074 434 HA VAL 54 HA VAL 54 2.018 -2.958 3.513 435 HB VAL 54 HB VAL 54 4.269 -1.640 1.920 436 HG11 VAL 54 1HG1 VAL 54 3.365 -2.845 -0.032 437 HG12 VAL 54 2HG1 VAL 54 2.188 -3.652 1.007 438 HG13 VAL 54 3HG1 VAL 54 3.912 -3.958 1.224 439 HG21 VAL 54 3HG2 VAL 54 2.499 -0.581 0.546 440 HG22 VAL 54 1HG2 VAL 54 2.441 -0.044 2.227 441 HG23 VAL 54 2HG2 VAL 54 1.272 -1.225 1.639 442 H LYS 55 H LYS 55 5.382 -2.049 4.280 443 HA LYS 55 HA LYS 55 6.598 -4.581 3.864 444 HB2 LYS 55 2HB LYS 55 7.544 -2.121 5.384 445 HB3 LYS 55 3HB LYS 55 8.541 -3.563 5.202 446 HG2 LYS 55 2HG LYS 55 8.584 -3.312 2.791 447 HG3 LYS 55 3HG LYS 55 7.432 -1.977 2.866 448 HD2 LYS 55 2HD LYS 55 9.098 -0.593 4.065 449 HD3 LYS 55 3HD LYS 55 10.247 -1.935 4.034 450 HE2 LYS 55 2HE LYS 55 10.241 -1.855 1.548 451 HE3 LYS 55 3HE LYS 55 9.134 -0.482 1.605 452 HZ1 LYS 55 3HZ LYS 55 11.808 -0.455 2.884 453 HZ2 LYS 55 1HZ LYS 55 10.789 0.860 2.588 454 HZ3 LYS 55 2HZ LYS 55 11.540 0.062 1.299 455 H LYS 56 H LYS 56 4.833 -3.309 6.579 456 HA LYS 56 HA LYS 56 5.679 -5.070 8.623 457 HB2 LYS 56 2HB LYS 56 2.880 -3.944 8.120 458 HB3 LYS 56 3HB LYS 56 3.408 -4.689 9.626 459 HG2 LYS 56 2HG LYS 56 5.017 -2.869 10.000 460 HG3 LYS 56 3HG LYS 56 4.579 -2.144 8.449 461 HD2 LYS 56 2HD LYS 56 2.227 -1.873 9.297 462 HD3 LYS 56 3HD LYS 56 2.758 -2.461 10.873 463 HE2 LYS 56 2HE LYS 56 3.823 0.026 9.491 464 HE3 LYS 56 3HE LYS 56 2.593 0.021 10.753 465 HZ1 LYS 56 3HZ LYS 56 4.224 -0.959 12.256 466 HZ2 LYS 56 1HZ LYS 56 4.747 0.533 11.663 467 HZ3 LYS 56 2HZ LYS 56 5.396 -0.895 11.043 468 H VAL 57 H VAL 57 3.336 -5.424 6.018 469 HA VAL 57 HA VAL 57 2.518 -8.132 6.658 470 HB VAL 57 HB VAL 57 1.974 -6.324 4.247 471 HG11 VAL 57 1HG1 VAL 57 0.668 -8.992 4.893 472 HG12 VAL 57 2HG1 VAL 57 1.762 -8.673 3.544 473 HG13 VAL 57 3HG1 VAL 57 0.183 -7.890 3.601 474 HG21 VAL 57 3HG2 VAL 57 -0.266 -6.031 5.226 475 HG22 VAL 57 1HG2 VAL 57 0.992 -5.494 6.346 476 HG23 VAL 57 2HG2 VAL 57 0.188 -7.047 6.595 477 H LYS 58 H LYS 58 5.063 -6.651 4.774 478 HA LYS 58 HA LYS 58 5.960 -9.107 3.619 479 HB2 LYS 58 2HB LYS 58 5.753 -8.213 1.173 480 HB3 LYS 58 3HB LYS 58 4.358 -8.954 1.936 481 HG2 LYS 58 2HG LYS 58 3.385 -6.748 2.398 482 HG3 LYS 58 3HG LYS 58 4.804 -5.959 1.712 483 HD2 LYS 58 2HD LYS 58 2.713 -6.086 0.224 484 HD3 LYS 58 3HD LYS 58 4.230 -6.604 -0.505 485 HE2 LYS 58 2HE LYS 58 2.220 -8.071 -0.991 486 HE3 LYS 58 3HE LYS 58 3.622 -8.915 -0.318 487 HZ1 LYS 58 3HZ LYS 58 2.523 -8.708 1.893 488 HZ2 LYS 58 1HZ LYS 58 1.684 -9.665 0.794 489 HZ3 LYS 58 2HZ LYS 58 1.152 -8.100 1.115 490 HA PRO 59 HA PRO 59 9.400 -6.105 4.239 491 HB2 PRO 59 2HB PRO 59 11.258 -7.852 5.172 492 HB3 PRO 59 3HB PRO 59 9.887 -7.336 6.174 493 HG2 PRO 59 2HG PRO 59 10.199 -9.874 4.601 494 HG3 PRO 59 3HG PRO 59 9.622 -9.654 6.270 495 HD2 PRO 59 2HD PRO 59 7.921 -9.958 4.134 496 HD3 PRO 59 3HD PRO 59 7.489 -9.043 5.596 497 H ASN 60 H ASN 60 9.201 -8.801 2.058 498 HA ASN 60 HA ASN 60 11.775 -8.123 0.724 499 HB2 ASN 60 2HB ASN 60 10.129 -10.690 0.653 500 HB3 ASN 60 3HB ASN 60 11.546 -10.391 -0.360 501 HD21 ASN 60 1HD2 ASN 60 13.024 -11.755 0.450 502 HD22 ASN 60 2HD2 ASN 60 13.538 -11.806 2.092 503 H ALA 61 H ALA 61 8.675 -7.235 0.511 504 HA ALA 61 HA ALA 61 7.764 -7.953 -2.068 505 HB1 ALA 61 3HB ALA 61 6.029 -6.267 -1.678 506 HB2 ALA 61 1HB ALA 61 6.937 -5.641 -0.293 507 HB3 ALA 61 2HB ALA 61 6.288 -7.281 -0.262 508 H THR 62 H THR 62 7.728 -6.891 -4.010 509 HA THR 62 HA THR 62 9.440 -4.632 -4.549 510 HB THR 62 HB THR 62 7.386 -5.954 -6.387 511 HG1 THR 62 HG1 THR 62 9.188 -7.307 -5.483 512 HG21 THR 62 3HG2 THR 62 8.753 -5.021 -8.219 513 HG22 THR 62 1HG2 THR 62 9.835 -4.263 -7.052 514 HG23 THR 62 2HG2 THR 62 8.158 -3.721 -7.185 515 H ILE 63 H ILE 63 8.746 -2.828 -3.606 516 HA ILE 63 HA ILE 63 6.011 -1.774 -4.062 517 HB ILE 63 HB ILE 63 8.122 -0.845 -2.052 518 HG12 ILE 63 2HG1 ILE 63 5.460 -2.218 -1.487 519 HG13 ILE 63 3HG1 ILE 63 6.997 -3.074 -1.523 520 HG21 ILE 63 1HG2 ILE 63 6.742 1.041 -2.844 521 HG22 ILE 63 2HG2 ILE 63 6.341 0.655 -1.173 522 HG23 ILE 63 3HG2 ILE 63 5.272 0.140 -2.473 523 HD11 ILE 63 3HD1 ILE 63 7.774 -1.680 0.337 524 HD12 ILE 63 1HD1 ILE 63 6.328 -2.611 0.727 525 HD13 ILE 63 2HD1 ILE 63 6.196 -0.888 0.381 526 H ARG 64 H ARG 64 5.873 -0.297 -5.618 527 HA ARG 64 HA ARG 64 8.327 0.926 -6.726 528 HB2 ARG 64 2HB ARG 64 5.580 0.538 -8.008 529 HB3 ARG 64 3HB ARG 64 6.975 1.289 -8.784 530 HG2 ARG 64 2HG ARG 64 8.235 -0.859 -8.528 531 HG3 ARG 64 3HG ARG 64 6.776 -1.598 -7.862 532 HD2 ARG 64 2HD ARG 64 7.024 -2.174 -10.216 533 HD3 ARG 64 3HD ARG 64 5.598 -1.162 -9.987 534 HE ARG 64 HE ARG 64 7.524 0.640 -10.641 535 HH11 ARG 64 1HH1 ARG 64 6.388 -2.304 -12.225 536 HH12 ARG 64 2HH1 ARG 64 6.779 -1.739 -13.817 537 HH21 ARG 64 1HH2 ARG 64 8.027 1.366 -12.746 538 HH22 ARG 64 2HH2 ARG 64 7.709 0.344 -14.112 539 H LYS 65 H LYS 65 8.665 2.725 -5.686 540 HA LYS 65 HA LYS 65 6.457 4.542 -4.915 541 HB2 LYS 65 2HB LYS 65 7.726 3.683 -3.003 542 HB3 LYS 65 3HB LYS 65 9.244 4.200 -3.729 543 HG2 LYS 65 2HG LYS 65 8.691 6.544 -3.405 544 HG3 LYS 65 3HG LYS 65 7.040 6.136 -2.930 545 HD2 LYS 65 2HD LYS 65 8.319 6.692 -0.938 546 HD3 LYS 65 3HD LYS 65 7.946 4.966 -0.908 547 HE2 LYS 65 2HE LYS 65 10.239 5.259 -0.211 548 HE3 LYS 65 3HE LYS 65 10.267 4.532 -1.819 549 HZ1 LYS 65 3HZ LYS 65 11.872 6.272 -1.722 550 HZ2 LYS 65 1HZ LYS 65 10.737 7.376 -1.117 551 HZ3 LYS 65 2HZ LYS 65 10.607 6.813 -2.705 552 H THR 66 H THR 66 6.265 6.266 -6.158 553 HA THR 66 HA THR 66 8.517 7.866 -7.004 554 HB THR 66 HB THR 66 8.520 6.220 -8.828 555 HG1 THR 66 HG1 THR 66 9.058 8.179 -9.595 556 HG21 THR 66 3HG2 THR 66 6.176 5.433 -8.713 557 HG22 THR 66 1HG2 THR 66 6.597 5.920 -10.358 558 HG23 THR 66 2HG2 THR 66 5.616 6.981 -9.348 559 H GLY 67 H GLY 67 7.896 9.947 -6.849 560 HA2 GLY 67 2HA GLY 67 5.119 10.582 -6.211 561 HA3 GLY 67 3HA GLY 67 6.503 11.648 -6.074 562 H GLY 68 H GLY 68 7.382 12.581 -8.024 563 HA2 GLY 68 2HA GLY 68 6.577 12.507 -10.604 564 HA3 GLY 68 3HA GLY 68 5.322 13.499 -9.856 565 H SER 69 H SER 69 8.104 13.775 -11.544 566 HA SER 69 HA SER 69 9.756 15.568 -10.137 567 HB2 SER 69 2HB SER 69 10.460 14.307 -12.162 568 HB3 SER 69 3HB SER 69 9.381 15.295 -13.150 569 HG SER 69 HG SER 69 11.890 15.811 -12.506 570 H LEU 70 H LEU 70 10.128 17.875 -10.567 571 HA LEU 70 HA LEU 70 7.658 19.358 -10.350 572 HB2 LEU 70 2HB LEU 70 10.556 20.298 -10.264 573 HB3 LEU 70 3HB LEU 70 9.178 21.365 -10.071 574 HG LEU 70 HG LEU 70 8.524 20.042 -8.003 575 HD11 LEU 70 1HD1 LEU 70 11.259 18.769 -8.287 576 HD12 LEU 70 2HD1 LEU 70 9.707 17.946 -8.444 577 HD13 LEU 70 3HD1 LEU 70 10.185 18.628 -6.892 578 HD21 LEU 70 3HD2 LEU 70 11.241 21.388 -7.921 579 HD22 LEU 70 1HD2 LEU 70 10.172 21.120 -6.541 580 HD23 LEU 70 2HD2 LEU 70 9.677 22.202 -7.840 581 H GLU 71 H GLU 71 6.927 18.789 -12.512 582 HA GLU 71 HA GLU 71 8.098 20.039 -14.842 583 HB2 GLU 71 2HB GLU 71 6.817 17.883 -14.945 584 HB3 GLU 71 3HB GLU 71 5.354 18.742 -14.482 585 HG2 GLU 71 2HG GLU 71 5.372 18.300 -16.885 586 HG3 GLU 71 3HG GLU 71 5.446 20.033 -16.592 587 H HIS 72 H HIS 72 6.808 21.634 -16.142 588 HA HIS 72 HA HIS 72 6.116 23.749 -16.417 589 HB2 HIS 72 2HB HIS 72 4.722 23.692 -13.696 590 HB3 HIS 72 3HB HIS 72 4.414 24.817 -15.019 591 HD1 HIS 72 HD1 HIS 72 3.107 21.826 -13.532 592 HD2 HIS 72 HD2 HIS 72 3.338 23.281 -17.418 593 HE1 HIS 72 HE1 HIS 72 1.442 20.494 -14.848 594 HE2 HIS 72 HE2 HIS 72 1.793 21.215 -17.228 595 H HIS 73 H HIS 73 8.376 24.023 -16.287 596 HA HIS 73 HA HIS 73 9.397 25.608 -14.055 597 HB2 HIS 73 2HB HIS 73 11.418 24.145 -13.803 598 HB3 HIS 73 3HB HIS 73 9.933 23.311 -13.345 599 HD1 HIS 73 HD1 HIS 73 12.934 22.827 -15.336 600 HD2 HIS 73 HD2 HIS 73 8.997 21.526 -15.576 601 HE1 HIS 73 HE1 HIS 73 12.966 20.799 -16.817 602 HE2 HIS 73 HE2 HIS 73 10.612 19.957 -16.817 603 H HIS 74 H HIS 74 10.869 27.070 -14.730 604 HA HIS 74 HA HIS 74 12.134 26.792 -17.398 605 HB2 HIS 74 2HB HIS 74 10.342 28.526 -17.461 606 HB3 HIS 74 3HB HIS 74 11.092 29.365 -16.108 607 HD1 HIS 74 HD1 HIS 74 12.623 31.219 -16.754 608 HD2 HIS 74 HD2 HIS 74 12.187 28.477 -19.845 609 HE1 HIS 74 HE1 HIS 74 13.831 32.204 -18.716 610 HE2 HIS 74 HE2 HIS 74 13.416 30.608 -20.600 611 H HIS 75 H HIS 75 13.972 25.943 -16.552 612 HA HIS 75 HA HIS 75 15.256 26.842 -14.155 613 HB2 HIS 75 2HB HIS 75 15.395 24.496 -14.964 614 HB3 HIS 75 3HB HIS 75 16.302 25.014 -16.378 615 HD1 HIS 75 HD1 HIS 75 18.805 25.480 -16.058 616 HD2 HIS 75 HD2 HIS 75 16.864 24.417 -12.548 617 HE1 HIS 75 HE1 HIS 75 20.626 25.038 -14.393 618 HE2 HIS 75 HE2 HIS 75 19.419 24.647 -12.226 619 H HIS 76 H HIS 76 16.517 28.565 -13.954 620 HA HIS 76 HA HIS 76 18.366 29.430 -16.069 621 HB2 HIS 76 2HB HIS 76 17.665 31.803 -15.902 622 HB3 HIS 76 3HB HIS 76 16.351 30.798 -16.494 623 HD1 HIS 76 HD1 HIS 76 16.588 33.642 -14.660 624 HD2 HIS 76 HD2 HIS 76 14.852 29.979 -13.759 625 HE1 HIS 76 HE1 HIS 76 14.831 34.135 -12.943 626 HE2 HIS 76 HE2 HIS 76 13.734 31.923 -12.488 627 H HIS 77 H HIS 77 18.254 28.253 -13.215 628 HA HIS 77 HA HIS 77 20.687 29.607 -12.342 629 HB2 HIS 77 2HB HIS 77 18.969 30.686 -10.929 630 HB3 HIS 77 3HB HIS 77 18.318 29.114 -10.473 631 HD1 HIS 77 HD1 HIS 77 21.550 31.094 -10.092 632 HD2 HIS 77 HD2 HIS 77 19.428 28.096 -8.147 633 HE1 HIS 77 HE1 HIS 77 22.830 30.617 -7.983 634 HE2 HIS 77 HE2 HIS 77 21.666 28.632 -6.981 Start of MODEL 12 1 H1 MET 1 1H MET 1 -0.600 14.585 -5.435 2 H2 MET 1 2H MET 1 1.064 14.794 -5.617 3 H3 MET 1 3H MET 1 0.461 13.987 -4.264 4 HA MET 1 HA MET 1 -0.350 12.202 -5.630 5 HB2 MET 1 2HB MET 1 0.910 13.796 -7.897 6 HB3 MET 1 3HB MET 1 0.358 12.136 -8.055 7 HG2 MET 1 2HG MET 1 -1.947 12.871 -7.586 8 HG3 MET 1 3HG MET 1 -1.383 14.537 -7.458 9 HE1 MET 1 3HE MET 1 -0.201 15.217 -11.188 10 HE2 MET 1 1HE MET 1 0.816 14.628 -9.876 11 HE3 MET 1 2HE MET 1 -0.352 15.916 -9.575 12 H VAL 2 H VAL 2 1.091 11.109 -4.258 13 HA VAL 2 HA VAL 2 3.744 10.565 -5.499 14 HB VAL 2 HB VAL 2 2.930 10.176 -2.578 15 HG11 VAL 2 1HG1 VAL 2 5.287 9.499 -2.179 16 HG12 VAL 2 2HG1 VAL 2 5.590 9.559 -3.916 17 HG13 VAL 2 3HG1 VAL 2 4.445 8.388 -3.261 18 HG21 VAL 2 3HG2 VAL 2 3.314 12.544 -3.103 19 HG22 VAL 2 1HG2 VAL 2 4.906 12.162 -3.769 20 HG23 VAL 2 2HG2 VAL 2 4.586 11.930 -2.049 21 H ASP 3 H ASP 3 3.569 8.754 -6.672 22 HA ASP 3 HA ASP 3 1.360 6.914 -6.183 23 HB2 ASP 3 2HB ASP 3 1.924 5.955 -8.419 24 HB3 ASP 3 3HB ASP 3 1.594 7.675 -8.479 25 H LEU 4 H LEU 4 1.657 5.260 -4.884 26 HA LEU 4 HA LEU 4 4.151 3.660 -4.994 27 HB2 LEU 4 2HB LEU 4 1.973 3.666 -2.851 28 HB3 LEU 4 3HB LEU 4 3.448 2.716 -2.812 29 HG LEU 4 HG LEU 4 3.263 5.749 -2.571 30 HD11 LEU 4 1HD1 LEU 4 2.490 4.588 -0.558 31 HD12 LEU 4 2HD1 LEU 4 4.026 5.393 -0.253 32 HD13 LEU 4 3HD1 LEU 4 3.983 3.646 -0.498 33 HD21 LEU 4 3HD2 LEU 4 5.695 5.710 -2.117 34 HD22 LEU 4 1HD2 LEU 4 5.329 5.146 -3.749 35 HD23 LEU 4 2HD2 LEU 4 5.740 3.985 -2.486 36 H LYS 5 H LYS 5 3.809 2.061 -6.521 37 HA LYS 5 HA LYS 5 1.195 0.649 -6.539 38 HB2 LYS 5 2HB LYS 5 1.717 1.702 -8.692 39 HB3 LYS 5 3HB LYS 5 3.302 0.941 -8.731 40 HG2 LYS 5 2HG LYS 5 2.244 -1.279 -8.933 41 HG3 LYS 5 3HG LYS 5 0.645 -0.529 -8.877 42 HD2 LYS 5 2HD LYS 5 1.042 0.619 -10.985 43 HD3 LYS 5 3HD LYS 5 2.728 0.090 -11.011 44 HE2 LYS 5 2HE LYS 5 0.322 -1.752 -11.164 45 HE3 LYS 5 3HE LYS 5 1.289 -1.227 -12.539 46 HZ1 LYS 5 3HZ LYS 5 2.271 -2.832 -10.240 47 HZ2 LYS 5 1HZ LYS 5 3.209 -2.339 -11.563 48 HZ3 LYS 5 2HZ LYS 5 1.928 -3.421 -11.783 49 H ILE 6 H ILE 6 1.301 -1.216 -5.434 50 HA ILE 6 HA ILE 6 3.937 -2.488 -4.952 51 HB ILE 6 HB ILE 6 1.394 -2.702 -3.242 52 HG12 ILE 6 2HG1 ILE 6 2.965 -1.520 -1.481 53 HG13 ILE 6 3HG1 ILE 6 3.894 -0.997 -2.876 54 HG21 ILE 6 1HG2 ILE 6 2.809 -3.933 -1.636 55 HG22 ILE 6 2HG2 ILE 6 4.185 -3.821 -2.731 56 HG23 ILE 6 3HG2 ILE 6 2.761 -4.756 -3.194 57 HD11 ILE 6 3HD1 ILE 6 1.930 0.199 -3.726 58 HD12 ILE 6 1HD1 ILE 6 2.375 0.729 -2.105 59 HD13 ILE 6 2HD1 ILE 6 0.996 -0.345 -2.331 60 H ASP 7 H ASP 7 4.186 -4.442 -5.960 61 HA ASP 7 HA ASP 7 2.033 -5.909 -7.178 62 HB2 ASP 7 2HB ASP 7 4.333 -6.093 -8.068 63 HB3 ASP 7 3HB ASP 7 4.913 -6.728 -6.534 64 H VAL 8 H VAL 8 0.709 -7.369 -6.196 65 HA VAL 8 HA VAL 8 1.465 -8.577 -3.609 66 HB VAL 8 HB VAL 8 -0.970 -8.609 -2.985 67 HG11 VAL 8 1HG1 VAL 8 -1.127 -6.263 -2.231 68 HG12 VAL 8 2HG1 VAL 8 0.161 -5.805 -3.349 69 HG13 VAL 8 3HG1 VAL 8 0.503 -6.902 -2.010 70 HG21 VAL 8 3HG2 VAL 8 -2.027 -8.358 -5.179 71 HG22 VAL 8 1HG2 VAL 8 -1.353 -6.736 -5.360 72 HG23 VAL 8 2HG2 VAL 8 -2.563 -7.057 -4.120 73 H SER 9 H SER 9 1.450 -10.720 -3.676 74 HA SER 9 HA SER 9 0.982 -12.099 -6.148 75 HB2 SER 9 2HB SER 9 1.828 -14.083 -4.815 76 HB3 SER 9 3HB SER 9 2.917 -12.700 -4.842 77 HG SER 9 HG SER 9 1.114 -12.764 -2.727 78 H ASP 10 H ASP 10 -0.868 -11.569 -3.241 79 HA ASP 10 HA ASP 10 -2.834 -13.659 -4.045 80 HB2 ASP 10 2HB ASP 10 -2.375 -12.710 -1.182 81 HB3 ASP 10 3HB ASP 10 -3.376 -14.047 -1.714 82 H ASP 11 H ASP 11 -5.055 -13.185 -3.323 83 HA ASP 11 HA ASP 11 -5.761 -10.424 -3.965 84 HB2 ASP 11 2HB ASP 11 -8.093 -11.272 -4.117 85 HB3 ASP 11 3HB ASP 11 -6.984 -12.166 -5.144 86 H GLU 12 H GLU 12 -6.245 -12.712 -1.224 87 HA GLU 12 HA GLU 12 -7.524 -10.849 0.482 88 HB2 GLU 12 2HB GLU 12 -7.472 -13.277 1.003 89 HB3 GLU 12 3HB GLU 12 -5.738 -13.188 1.312 90 HG2 GLU 12 2HG GLU 12 -6.166 -11.610 3.176 91 HG3 GLU 12 3HG GLU 12 -7.892 -11.724 2.869 92 H GLU 13 H GLU 13 -4.117 -11.577 -0.094 93 HA GLU 13 HA GLU 13 -2.865 -10.061 1.898 94 HB2 GLU 13 2HB GLU 13 -1.647 -11.700 0.571 95 HB3 GLU 13 3HB GLU 13 -1.943 -10.799 -0.910 96 HG2 GLU 13 2HG GLU 13 -0.529 -8.957 -0.040 97 HG3 GLU 13 3HG GLU 13 -0.209 -9.913 1.409 98 H ALA 14 H ALA 14 -4.002 -9.157 -1.324 99 HA ALA 14 HA ALA 14 -3.128 -6.507 -1.455 100 HB1 ALA 14 3HB ALA 14 -4.929 -6.185 -3.099 101 HB2 ALA 14 1HB ALA 14 -5.690 -7.691 -2.576 102 HB3 ALA 14 2HB ALA 14 -4.110 -7.725 -3.354 103 H GLU 15 H GLU 15 -6.162 -7.834 -0.073 104 HA GLU 15 HA GLU 15 -7.238 -5.316 0.770 105 HB2 GLU 15 2HB GLU 15 -7.929 -8.166 1.564 106 HB3 GLU 15 3HB GLU 15 -8.825 -6.758 2.130 107 HG2 GLU 15 2HG GLU 15 -9.415 -6.185 -0.190 108 HG3 GLU 15 3HG GLU 15 -8.496 -7.575 -0.764 109 H LYS 16 H LYS 16 -5.005 -7.550 2.201 110 HA LYS 16 HA LYS 16 -5.128 -6.641 4.900 111 HB2 LYS 16 2HB LYS 16 -2.833 -7.933 3.366 112 HB3 LYS 16 3HB LYS 16 -2.852 -7.693 5.107 113 HG2 LYS 16 2HG LYS 16 -4.843 -9.403 3.599 114 HG3 LYS 16 3HG LYS 16 -3.385 -10.021 4.375 115 HD2 LYS 16 2HD LYS 16 -4.240 -9.178 6.569 116 HD3 LYS 16 3HD LYS 16 -5.723 -8.662 5.761 117 HE2 LYS 16 2HE LYS 16 -5.985 -10.840 6.908 118 HE3 LYS 16 3HE LYS 16 -6.251 -10.970 5.171 119 HZ1 LYS 16 3HZ LYS 16 -4.029 -11.866 4.924 120 HZ2 LYS 16 1HZ LYS 16 -4.911 -12.795 6.026 121 HZ3 LYS 16 2HZ LYS 16 -3.738 -11.706 6.579 122 H ILE 17 H ILE 17 -3.293 -5.663 2.021 123 HA ILE 17 HA ILE 17 -1.668 -3.662 3.254 124 HB ILE 17 HB ILE 17 -2.529 -3.814 0.320 125 HG12 ILE 17 2HG1 ILE 17 -1.470 -5.917 0.858 126 HG13 ILE 17 3HG1 ILE 17 -0.298 -4.965 -0.037 127 HG21 ILE 17 1HG2 ILE 17 -0.480 -2.513 -0.149 128 HG22 ILE 17 2HG2 ILE 17 -0.158 -2.385 1.581 129 HG23 ILE 17 3HG2 ILE 17 -1.592 -1.622 0.894 130 HD11 ILE 17 3HD1 ILE 17 0.747 -6.159 1.786 131 HD12 ILE 17 1HD1 ILE 17 -0.333 -5.398 2.950 132 HD13 ILE 17 2HD1 ILE 17 0.847 -4.424 2.071 133 H ILE 18 H ILE 18 -4.732 -3.573 1.468 134 HA ILE 18 HA ILE 18 -5.326 -0.857 1.418 135 HB ILE 18 HB ILE 18 -7.209 -3.252 1.658 136 HG12 ILE 18 2HG1 ILE 18 -6.375 -1.622 -0.793 137 HG13 ILE 18 3HG1 ILE 18 -5.770 -3.221 -0.385 138 HG21 ILE 18 1HG2 ILE 18 -9.038 -1.791 0.846 139 HG22 ILE 18 2HG2 ILE 18 -7.963 -0.396 0.939 140 HG23 ILE 18 3HG2 ILE 18 -8.420 -1.254 2.411 141 HD11 ILE 18 3HD1 ILE 18 -8.059 -4.111 -0.653 142 HD12 ILE 18 1HD1 ILE 18 -7.401 -3.391 -2.124 143 HD13 ILE 18 2HD1 ILE 18 -8.586 -2.505 -1.166 144 H ARG 19 H ARG 19 -6.304 -3.265 3.845 145 HA ARG 19 HA ARG 19 -7.644 -1.580 5.641 146 HB2 ARG 19 2HB ARG 19 -7.879 -4.037 5.640 147 HB3 ARG 19 3HB ARG 19 -6.200 -4.223 6.137 148 HG2 ARG 19 2HG ARG 19 -6.775 -3.021 8.271 149 HG3 ARG 19 3HG ARG 19 -8.468 -3.046 7.774 150 HD2 ARG 19 2HD ARG 19 -8.466 -5.494 7.788 151 HD3 ARG 19 3HD ARG 19 -6.737 -5.511 8.163 152 HE ARG 19 HE ARG 19 -7.798 -4.053 10.197 153 HH11 ARG 19 1HH1 ARG 19 -8.570 -7.268 8.954 154 HH12 ARG 19 2HH1 ARG 19 -9.100 -7.859 10.503 155 HH21 ARG 19 1HH2 ARG 19 -8.461 -4.869 12.206 156 HH22 ARG 19 2HH2 ARG 19 -9.040 -6.506 12.332 157 H GLU 20 H GLU 20 -4.297 -2.778 5.663 158 HA GLU 20 HA GLU 20 -3.374 -1.792 8.090 159 HB2 GLU 20 2HB GLU 20 -2.173 -3.478 6.839 160 HB3 GLU 20 3HB GLU 20 -1.956 -2.392 5.473 161 HG2 GLU 20 2HG GLU 20 0.124 -2.698 6.694 162 HG3 GLU 20 3HG GLU 20 -0.408 -1.026 6.761 163 H ILE 21 H ILE 21 -3.172 -0.284 4.864 164 HA ILE 21 HA ILE 21 -1.856 2.098 5.681 165 HB ILE 21 HB ILE 21 -3.594 1.598 3.218 166 HG12 ILE 21 2HG1 ILE 21 -1.640 0.094 3.288 167 HG13 ILE 21 3HG1 ILE 21 -1.447 1.280 2.007 168 HG21 ILE 21 1HG2 ILE 21 -2.448 3.560 2.214 169 HG22 ILE 21 2HG2 ILE 21 -1.663 3.888 3.759 170 HG23 ILE 21 3HG2 ILE 21 -3.418 4.005 3.619 171 HD11 ILE 21 3HD1 ILE 21 0.115 2.538 3.420 172 HD12 ILE 21 1HD1 ILE 21 0.640 0.875 3.164 173 HD13 ILE 21 2HD1 ILE 21 -0.085 1.339 4.700 174 H ARG 22 H ARG 22 -5.285 1.198 5.399 175 HA ARG 22 HA ARG 22 -6.238 3.920 5.678 176 HB2 ARG 22 2HB ARG 22 -7.691 1.258 5.601 177 HB3 ARG 22 3HB ARG 22 -8.523 2.800 5.790 178 HG2 ARG 22 2HG ARG 22 -7.640 3.556 3.608 179 HG3 ARG 22 3HG ARG 22 -6.785 2.026 3.423 180 HD2 ARG 22 2HD ARG 22 -8.934 0.820 3.414 181 HD3 ARG 22 3HD ARG 22 -9.805 2.342 3.594 182 HE ARG 22 HE ARG 22 -8.248 1.505 1.217 183 HH11 ARG 22 1HH1 ARG 22 -10.771 3.518 2.601 184 HH12 ARG 22 2HH1 ARG 22 -11.325 4.084 1.056 185 HH21 ARG 22 1HH2 ARG 22 -9.030 2.197 -0.795 186 HH22 ARG 22 2HH2 ARG 22 -10.336 3.338 -0.864 187 H GLU 23 H GLU 23 -5.428 1.406 7.957 188 HA GLU 23 HA GLU 23 -7.123 2.362 10.105 189 HB2 GLU 23 2HB GLU 23 -4.801 0.397 10.053 190 HB3 GLU 23 3HB GLU 23 -5.656 0.813 11.536 191 HG2 GLU 23 2HG GLU 23 -7.739 -0.082 10.637 192 HG3 GLU 23 3HG GLU 23 -6.965 -0.416 9.086 193 H GLN 24 H GLN 24 -3.781 2.923 9.061 194 HA GLN 24 HA GLN 24 -3.210 4.719 11.300 195 HB2 GLN 24 2HB GLN 24 -1.601 4.024 8.800 196 HB3 GLN 24 3HB GLN 24 -1.057 5.176 10.016 197 HG2 GLN 24 2HG GLN 24 -1.001 3.403 11.710 198 HG3 GLN 24 3HG GLN 24 -1.623 2.244 10.536 199 HE21 GLN 24 1HE2 GLN 24 1.176 4.150 11.480 200 HE22 GLN 24 2HE2 GLN 24 2.327 3.277 10.529 201 H TRP 25 H TRP 25 -3.652 4.972 7.775 202 HA TRP 25 HA TRP 25 -4.282 7.861 8.003 203 HB2 TRP 25 2HB TRP 25 -3.230 6.359 5.553 204 HB3 TRP 25 3HB TRP 25 -3.525 8.090 5.667 205 HD1 TRP 25 HD1 TRP 25 -1.686 9.544 7.085 206 HE1 TRP 25 HE1 TRP 25 0.763 9.031 7.668 207 HE3 TRP 25 HE3 TRP 25 -1.643 4.518 6.114 208 HZ2 TRP 25 HZ2 TRP 25 2.491 6.806 7.722 209 HZ3 TRP 25 HZ3 TRP 25 0.444 3.261 6.460 210 HH2 TRP 25 HH2 TRP 25 2.466 4.385 7.249 211 HA PRO 26 HA PRO 26 -8.308 5.928 6.620 212 HB2 PRO 26 2HB PRO 26 -9.930 7.861 7.712 213 HB3 PRO 26 3HB PRO 26 -9.293 6.498 8.655 214 HG2 PRO 26 2HG PRO 26 -8.273 9.314 8.502 215 HG3 PRO 26 3HG PRO 26 -8.510 8.283 9.932 216 HD2 PRO 26 2HD PRO 26 -6.068 8.628 8.803 217 HD3 PRO 26 3HD PRO 26 -6.539 7.094 9.568 218 H LYS 27 H LYS 27 -6.915 9.109 6.270 219 HA LYS 27 HA LYS 27 -8.616 9.901 4.023 220 HB2 LYS 27 2HB LYS 27 -6.413 11.316 5.574 221 HB3 LYS 27 3HB LYS 27 -7.198 12.018 4.163 222 HG2 LYS 27 2HG LYS 27 -9.371 11.979 5.314 223 HG3 LYS 27 3HG LYS 27 -8.628 11.208 6.718 224 HD2 LYS 27 2HD LYS 27 -9.007 13.670 7.004 225 HD3 LYS 27 3HD LYS 27 -7.320 13.186 7.204 226 HE2 LYS 27 2HE LYS 27 -7.567 15.275 5.884 227 HE3 LYS 27 3HE LYS 27 -6.775 13.993 4.973 228 HZ1 LYS 27 3HZ LYS 27 -8.925 13.547 3.879 229 HZ2 LYS 27 1HZ LYS 27 -8.367 15.116 3.591 230 HZ3 LYS 27 2HZ LYS 27 -9.611 14.854 4.703 231 H ALA 28 H ALA 28 -6.946 7.579 3.534 232 HA ALA 28 HA ALA 28 -4.750 8.576 1.817 233 HB1 ALA 28 3HB ALA 28 -3.794 7.223 3.623 234 HB2 ALA 28 1HB ALA 28 -3.697 6.318 2.114 235 HB3 ALA 28 2HB ALA 28 -4.936 5.918 3.312 236 H THR 29 H THR 29 -5.602 8.481 -0.324 237 HA THR 29 HA THR 29 -7.734 6.748 -0.981 238 HB THR 29 HB THR 29 -5.791 8.210 -2.834 239 HG1 THR 29 HG1 THR 29 -8.099 9.037 -1.422 240 HG21 THR 29 3HG2 THR 29 -8.623 7.212 -3.347 241 HG22 THR 29 1HG2 THR 29 -7.153 6.527 -4.037 242 HG23 THR 29 2HG2 THR 29 -7.650 8.163 -4.473 243 H VAL 30 H VAL 30 -7.343 4.641 -0.717 244 HA VAL 30 HA VAL 30 -5.085 3.335 -2.125 245 HB VAL 30 HB VAL 30 -7.078 1.924 -0.264 246 HG11 VAL 30 1HG1 VAL 30 -5.305 0.212 -0.075 247 HG12 VAL 30 2HG1 VAL 30 -4.266 1.152 -1.149 248 HG13 VAL 30 3HG1 VAL 30 -5.772 0.463 -1.758 249 HG21 VAL 30 3HG2 VAL 30 -4.411 3.119 0.589 250 HG22 VAL 30 1HG2 VAL 30 -5.480 2.134 1.593 251 HG23 VAL 30 2HG2 VAL 30 -6.002 3.726 1.044 252 H THR 31 H THR 31 -5.547 1.900 -3.778 253 HA THR 31 HA THR 31 -8.349 1.756 -4.745 254 HB THR 31 HB THR 31 -5.829 1.897 -6.473 255 HG1 THR 31 HG1 THR 31 -6.090 3.897 -5.527 256 HG21 THR 31 3HG2 THR 31 -7.391 2.306 -8.319 257 HG22 THR 31 1HG2 THR 31 -8.767 2.183 -7.218 258 HG23 THR 31 2HG2 THR 31 -7.764 0.767 -7.544 259 H ARG 32 H ARG 32 -9.073 -0.280 -5.378 260 HA ARG 32 HA ARG 32 -7.396 -2.567 -4.664 261 HB2 ARG 32 2HB ARG 32 -9.579 -2.518 -3.601 262 HB3 ARG 32 3HB ARG 32 -10.373 -2.126 -5.118 263 HG2 ARG 32 2HG ARG 32 -10.840 -4.427 -4.447 264 HG3 ARG 32 3HG ARG 32 -9.955 -4.373 -5.971 265 HD2 ARG 32 2HD ARG 32 -7.882 -4.978 -4.808 266 HD3 ARG 32 3HD ARG 32 -8.734 -4.967 -3.254 267 HE ARG 32 HE ARG 32 -9.864 -6.743 -5.259 268 HH11 ARG 32 1HH1 ARG 32 -7.579 -6.465 -2.632 269 HH12 ARG 32 2HH1 ARG 32 -7.560 -8.161 -2.308 270 HH21 ARG 32 1HH2 ARG 32 -9.887 -8.981 -4.791 271 HH22 ARG 32 2HH2 ARG 32 -8.867 -9.596 -3.530 272 H THR 33 H THR 33 -6.427 -3.643 -6.283 273 HA THR 33 HA THR 33 -7.702 -3.994 -8.857 274 HB THR 33 HB THR 33 -6.344 -2.077 -9.402 275 HG1 THR 33 HG1 THR 33 -4.949 -4.387 -10.310 276 HG21 THR 33 3HG2 THR 33 -3.911 -1.970 -9.112 277 HG22 THR 33 1HG2 THR 33 -3.934 -3.517 -8.264 278 HG23 THR 33 2HG2 THR 33 -4.724 -2.110 -7.552 279 H ASN 34 H ASN 34 -7.174 -5.989 -9.746 280 HA ASN 34 HA ASN 34 -6.218 -7.950 -7.861 281 HB2 ASN 34 2HB ASN 34 -8.154 -8.265 -9.486 282 HB3 ASN 34 3HB ASN 34 -6.967 -8.400 -10.779 283 HD21 ASN 34 1HD2 ASN 34 -7.652 -10.525 -11.232 284 HD22 ASN 34 2HD2 ASN 34 -7.283 -11.855 -10.192 285 H GLY 35 H GLY 35 -4.073 -8.126 -7.514 286 HA2 GLY 35 2HA GLY 35 -2.041 -9.214 -8.320 287 HA3 GLY 35 3HA GLY 35 -2.210 -8.331 -9.828 288 H ASP 36 H ASP 36 -3.034 -5.932 -7.983 289 HA ASP 36 HA ASP 36 -0.410 -5.172 -6.909 290 HB2 ASP 36 2HB ASP 36 -1.826 -3.665 -9.151 291 HB3 ASP 36 3HB ASP 36 -0.627 -2.894 -8.123 292 H ILE 37 H ILE 37 -0.542 -2.941 -5.913 293 HA ILE 37 HA ILE 37 -3.212 -2.105 -4.968 294 HB ILE 37 HB ILE 37 -0.693 -2.404 -3.250 295 HG12 ILE 37 2HG1 ILE 37 -2.195 -4.382 -3.305 296 HG13 ILE 37 3HG1 ILE 37 -2.204 -3.647 -1.709 297 HG21 ILE 37 1HG2 ILE 37 -1.550 -0.136 -2.825 298 HG22 ILE 37 2HG2 ILE 37 -1.846 -1.166 -1.431 299 HG23 ILE 37 3HG2 ILE 37 -3.170 -0.772 -2.526 300 HD11 ILE 37 3HD1 ILE 37 -4.436 -4.326 -2.344 301 HD12 ILE 37 1HD1 ILE 37 -4.351 -3.355 -3.815 302 HD13 ILE 37 2HD1 ILE 37 -4.357 -2.570 -2.234 303 H LYS 38 H LYS 38 -3.539 -0.176 -5.876 304 HA LYS 38 HA LYS 38 -1.267 1.632 -6.394 305 HB2 LYS 38 2HB LYS 38 -4.166 1.777 -7.335 306 HB3 LYS 38 3HB LYS 38 -2.893 2.913 -7.773 307 HG2 LYS 38 2HG LYS 38 -1.654 1.146 -8.935 308 HG3 LYS 38 3HG LYS 38 -2.852 -0.053 -8.448 309 HD2 LYS 38 2HD LYS 38 -3.406 2.347 -10.235 310 HD3 LYS 38 3HD LYS 38 -3.158 0.696 -10.803 311 HE2 LYS 38 2HE LYS 38 -5.179 -0.052 -9.675 312 HE3 LYS 38 3HE LYS 38 -5.390 1.528 -8.915 313 HZ1 LYS 38 3HZ LYS 38 -5.489 1.018 -11.844 314 HZ2 LYS 38 1HZ LYS 38 -5.784 2.499 -11.077 315 HZ3 LYS 38 2HZ LYS 38 -6.840 1.197 -10.848 316 H LEU 39 H LEU 39 -0.799 2.807 -4.704 317 HA LEU 39 HA LEU 39 -2.896 3.986 -2.980 318 HB2 LEU 39 2HB LEU 39 -1.558 2.399 -1.733 319 HB3 LEU 39 3HB LEU 39 -0.062 3.070 -2.359 320 HG LEU 39 HG LEU 39 -0.394 5.122 -1.026 321 HD11 LEU 39 1HD1 LEU 39 -2.837 5.260 -0.982 322 HD12 LEU 39 2HD1 LEU 39 -2.190 5.305 0.656 323 HD13 LEU 39 3HD1 LEU 39 -2.926 3.823 0.040 324 HD21 LEU 39 3HD2 LEU 39 -0.040 4.132 1.207 325 HD22 LEU 39 1HD2 LEU 39 0.864 3.276 -0.040 326 HD23 LEU 39 2HD2 LEU 39 -0.620 2.576 0.613 327 H ASP 40 H ASP 40 -2.789 6.166 -2.579 328 HA ASP 40 HA ASP 40 -0.743 7.775 -4.001 329 HB2 ASP 40 2HB ASP 40 -2.897 7.998 -5.138 330 HB3 ASP 40 3HB ASP 40 -3.727 8.330 -3.623 331 H ALA 41 H ALA 41 0.567 8.453 -2.445 332 HA ALA 41 HA ALA 41 -0.335 9.336 0.192 333 HB1 ALA 41 3HB ALA 41 1.814 8.165 -0.005 334 HB2 ALA 41 1HB ALA 41 2.047 9.790 0.639 335 HB3 ALA 41 2HB ALA 41 2.437 9.442 -1.047 336 H GLN 42 H GLN 42 -0.549 11.396 0.867 337 HA GLN 42 HA GLN 42 -1.047 13.502 -0.968 338 HB2 GLN 42 2HB GLN 42 -0.787 13.521 2.063 339 HB3 GLN 42 3HB GLN 42 -1.357 14.897 1.127 340 HG2 GLN 42 2HG GLN 42 -2.703 12.181 1.220 341 HG3 GLN 42 3HG GLN 42 -3.188 13.586 2.169 342 HE21 GLN 42 1HE2 GLN 42 -4.171 15.352 1.108 343 HE22 GLN 42 2HE2 GLN 42 -4.858 15.193 -0.471 344 H THR 43 H THR 43 1.707 12.687 1.034 345 HA THR 43 HA THR 43 3.363 14.572 -0.469 346 HB THR 43 HB THR 43 2.692 15.695 1.735 347 HG1 THR 43 HG1 THR 43 5.406 15.595 1.966 348 HG21 THR 43 3HG2 THR 43 4.587 13.650 2.975 349 HG22 THR 43 1HG2 THR 43 2.844 13.707 3.239 350 HG23 THR 43 2HG2 THR 43 3.862 15.034 3.797 351 H GLU 44 H GLU 44 5.695 14.119 -0.141 352 HA GLU 44 HA GLU 44 6.229 11.399 -0.669 353 HB2 GLU 44 2HB GLU 44 8.769 12.369 -0.253 354 HB3 GLU 44 3HB GLU 44 7.879 12.529 -1.751 355 HG2 GLU 44 2HG GLU 44 8.835 14.644 -1.315 356 HG3 GLU 44 3HG GLU 44 7.118 14.797 -0.979 357 H LYS 45 H LYS 45 6.672 13.316 2.283 358 HA LYS 45 HA LYS 45 8.141 11.363 3.737 359 HB2 LYS 45 2HB LYS 45 6.555 13.786 4.635 360 HB3 LYS 45 3HB LYS 45 7.444 12.762 5.765 361 HG2 LYS 45 2HG LYS 45 9.540 13.240 4.615 362 HG3 LYS 45 3HG LYS 45 8.684 14.208 3.407 363 HD2 LYS 45 2HD LYS 45 8.012 15.814 5.160 364 HD3 LYS 45 3HD LYS 45 8.850 14.844 6.382 365 HE2 LYS 45 2HE LYS 45 10.191 16.784 5.640 366 HE3 LYS 45 3HE LYS 45 10.995 15.256 5.275 367 HZ1 LYS 45 3HZ LYS 45 9.472 16.940 3.363 368 HZ2 LYS 45 1HZ LYS 45 10.164 15.446 2.990 369 HZ3 LYS 45 2HZ LYS 45 11.144 16.754 3.417 370 H GLU 46 H GLU 46 4.730 11.636 3.077 371 HA GLU 46 HA GLU 46 3.842 10.076 5.353 372 HB2 GLU 46 2HB GLU 46 2.401 11.797 4.274 373 HB3 GLU 46 3HB GLU 46 2.384 10.864 2.781 374 HG2 GLU 46 2HG GLU 46 1.178 9.057 3.903 375 HG3 GLU 46 3HG GLU 46 1.277 9.912 5.440 376 H ALA 47 H ALA 47 4.691 9.644 1.990 377 HA ALA 47 HA ALA 47 3.842 7.009 1.505 378 HB1 ALA 47 3HB ALA 47 4.487 8.585 -0.278 379 HB2 ALA 47 1HB ALA 47 5.380 7.070 -0.410 380 HB3 ALA 47 2HB ALA 47 6.169 8.507 0.247 381 H GLU 48 H GLU 48 6.664 8.264 3.157 382 HA GLU 48 HA GLU 48 8.416 6.080 2.908 383 HB2 GLU 48 2HB GLU 48 8.308 8.024 5.249 384 HB3 GLU 48 3HB GLU 48 9.696 7.074 4.736 385 HG2 GLU 48 2HG GLU 48 8.442 9.421 3.287 386 HG3 GLU 48 3HG GLU 48 10.022 9.357 4.062 387 H LYS 49 H LYS 49 5.878 6.750 5.308 388 HA LYS 49 HA LYS 49 6.505 4.299 6.805 389 HB2 LYS 49 2HB LYS 49 4.133 6.131 7.322 390 HB3 LYS 49 3HB LYS 49 4.806 4.917 8.392 391 HG2 LYS 49 2HG LYS 49 5.586 6.872 9.364 392 HG3 LYS 49 3HG LYS 49 6.954 6.421 8.345 393 HD2 LYS 49 2HD LYS 49 6.514 8.806 8.128 394 HD3 LYS 49 3HD LYS 49 6.148 8.006 6.601 395 HE2 LYS 49 2HE LYS 49 4.422 9.630 7.054 396 HE3 LYS 49 3HE LYS 49 3.721 8.028 7.253 397 HZ1 LYS 49 3HZ LYS 49 3.979 8.282 9.659 398 HZ2 LYS 49 1HZ LYS 49 3.031 9.525 9.005 399 HZ3 LYS 49 2HZ LYS 49 4.639 9.822 9.433 400 H MET 50 H MET 50 4.194 5.552 4.532 401 HA MET 50 HA MET 50 2.204 3.583 4.546 402 HB2 MET 50 2HB MET 50 3.248 5.295 2.270 403 HB3 MET 50 3HB MET 50 1.995 4.096 1.990 404 HG2 MET 50 2HG MET 50 0.577 5.215 3.696 405 HG3 MET 50 3HG MET 50 1.819 6.465 3.855 406 HE1 MET 50 3HE MET 50 -0.517 8.004 3.306 407 HE2 MET 50 1HE MET 50 -1.443 6.571 2.852 408 HE3 MET 50 2HE MET 50 -1.313 7.928 1.733 409 H GLU 51 H GLU 51 4.992 3.582 2.280 410 HA GLU 51 HA GLU 51 4.849 1.002 1.291 411 HB2 GLU 51 2HB GLU 51 7.266 1.257 0.752 412 HB3 GLU 51 3HB GLU 51 6.373 2.736 0.409 413 HG2 GLU 51 2HG GLU 51 7.144 3.670 2.554 414 HG3 GLU 51 3HG GLU 51 8.064 2.215 2.863 415 H LYS 52 H LYS 52 6.058 2.064 4.378 416 HA LYS 52 HA LYS 52 7.517 -0.325 5.123 417 HB2 LYS 52 2HB LYS 52 7.481 2.315 6.048 418 HB3 LYS 52 3HB LYS 52 6.625 1.493 7.337 419 HG2 LYS 52 2HG LYS 52 9.416 0.828 6.344 420 HG3 LYS 52 3HG LYS 52 9.039 1.742 7.798 421 HD2 LYS 52 2HD LYS 52 8.315 -1.173 7.317 422 HD3 LYS 52 3HD LYS 52 9.674 -0.603 8.282 423 HE2 LYS 52 2HE LYS 52 8.063 0.544 9.808 424 HE3 LYS 52 3HE LYS 52 6.732 -0.147 8.875 425 HZ1 LYS 52 3HZ LYS 52 8.809 -1.733 10.298 426 HZ2 LYS 52 1HZ LYS 52 7.459 -2.348 9.489 427 HZ3 LYS 52 2HZ LYS 52 7.257 -1.422 10.890 428 H ALA 53 H ALA 53 4.328 1.049 5.691 429 HA ALA 53 HA ALA 53 3.295 -0.831 7.519 430 HB1 ALA 53 3HB ALA 53 1.779 0.938 5.564 431 HB2 ALA 53 1HB ALA 53 2.290 1.397 7.189 432 HB3 ALA 53 2HB ALA 53 1.092 0.123 6.971 433 H VAL 54 H VAL 54 3.099 -0.609 3.966 434 HA VAL 54 HA VAL 54 1.657 -2.860 3.293 435 HB VAL 54 HB VAL 54 4.175 -1.783 1.929 436 HG11 VAL 54 1HG1 VAL 54 3.659 -4.033 1.115 437 HG12 VAL 54 2HG1 VAL 54 3.345 -2.833 -0.133 438 HG13 VAL 54 3HG1 VAL 54 1.998 -3.548 0.754 439 HG21 VAL 54 3HG2 VAL 54 1.257 -1.076 1.423 440 HG22 VAL 54 1HG2 VAL 54 2.630 -0.502 0.474 441 HG23 VAL 54 2HG2 VAL 54 2.471 -0.037 2.166 442 H LYS 55 H LYS 55 5.186 -2.658 3.741 443 HA LYS 55 HA LYS 55 5.739 -5.382 3.421 444 HB2 LYS 55 2HB LYS 55 7.419 -3.254 4.773 445 HB3 LYS 55 3HB LYS 55 8.003 -4.865 4.355 446 HG2 LYS 55 2HG LYS 55 7.508 -4.399 1.957 447 HG3 LYS 55 3HG LYS 55 7.028 -2.756 2.401 448 HD2 LYS 55 2HD LYS 55 9.323 -2.401 3.345 449 HD3 LYS 55 3HD LYS 55 9.775 -4.003 2.761 450 HE2 LYS 55 2HE LYS 55 9.302 -3.262 0.442 451 HE3 LYS 55 3HE LYS 55 8.905 -1.652 1.053 452 HZ1 LYS 55 3HZ LYS 55 11.543 -3.011 1.210 453 HZ2 LYS 55 1HZ LYS 55 11.193 -1.526 1.944 454 HZ3 LYS 55 2HZ LYS 55 11.144 -1.672 0.262 455 H LYS 56 H LYS 56 4.343 -3.971 6.212 456 HA LYS 56 HA LYS 56 5.222 -5.775 8.231 457 HB2 LYS 56 2HB LYS 56 2.487 -4.458 7.900 458 HB3 LYS 56 3HB LYS 56 3.035 -5.272 9.363 459 HG2 LYS 56 2HG LYS 56 4.780 -3.583 9.690 460 HG3 LYS 56 3HG LYS 56 4.317 -2.786 8.178 461 HD2 LYS 56 2HD LYS 56 2.026 -2.411 9.141 462 HD3 LYS 56 3HD LYS 56 2.596 -3.075 10.672 463 HE2 LYS 56 2HE LYS 56 4.115 -1.239 10.987 464 HE3 LYS 56 3HE LYS 56 3.856 -0.662 9.338 465 HZ1 LYS 56 3HZ LYS 56 2.622 0.687 10.866 466 HZ2 LYS 56 1HZ LYS 56 1.851 -0.662 11.537 467 HZ3 LYS 56 2HZ LYS 56 1.522 -0.204 9.941 468 H VAL 57 H VAL 57 2.592 -5.927 5.888 469 HA VAL 57 HA VAL 57 1.648 -8.570 6.525 470 HB VAL 57 HB VAL 57 1.194 -6.761 4.109 471 HG11 VAL 57 1HG1 VAL 57 -0.317 -9.303 4.808 472 HG12 VAL 57 2HG1 VAL 57 0.771 -9.079 3.439 473 HG13 VAL 57 3HG1 VAL 57 -0.737 -8.175 3.516 474 HG21 VAL 57 3HG2 VAL 57 -0.984 -6.238 5.131 475 HG22 VAL 57 1HG2 VAL 57 0.346 -5.807 6.209 476 HG23 VAL 57 2HG2 VAL 57 -0.599 -7.266 6.513 477 H LYS 58 H LYS 58 4.121 -7.266 4.397 478 HA LYS 58 HA LYS 58 4.807 -9.828 3.288 479 HB2 LYS 58 2HB LYS 58 4.414 -9.125 0.876 480 HB3 LYS 58 3HB LYS 58 2.958 -9.443 1.805 481 HG2 LYS 58 2HG LYS 58 2.608 -7.024 2.108 482 HG3 LYS 58 3HG LYS 58 4.069 -6.692 1.182 483 HD2 LYS 58 2HD LYS 58 1.578 -8.065 0.101 484 HD3 LYS 58 3HD LYS 58 1.995 -6.373 -0.144 485 HE2 LYS 58 2HE LYS 58 2.682 -7.369 -2.134 486 HE3 LYS 58 3HE LYS 58 4.179 -7.298 -1.214 487 HZ1 LYS 58 3HZ LYS 58 2.460 -9.661 -1.700 488 HZ2 LYS 58 1HZ LYS 58 3.710 -9.662 -0.566 489 HZ3 LYS 58 2HZ LYS 58 4.051 -9.417 -2.196 490 HA PRO 59 HA PRO 59 8.465 -7.036 3.719 491 HB2 PRO 59 2HB PRO 59 10.348 -9.018 4.015 492 HB3 PRO 59 3HB PRO 59 9.297 -8.481 5.340 493 HG2 PRO 59 2HG PRO 59 8.975 -10.862 3.543 494 HG3 PRO 59 3HG PRO 59 8.810 -10.762 5.313 495 HD2 PRO 59 2HD PRO 59 6.646 -10.744 3.694 496 HD3 PRO 59 3HD PRO 59 6.689 -9.794 5.197 497 H ASN 60 H ASN 60 7.749 -9.437 1.349 498 HA ASN 60 HA ASN 60 10.063 -8.847 -0.361 499 HB2 ASN 60 2HB ASN 60 7.725 -10.750 -0.854 500 HB3 ASN 60 3HB ASN 60 9.233 -10.685 -1.763 501 HD21 ASN 60 1HD2 ASN 60 11.111 -11.560 -0.827 502 HD22 ASN 60 2HD2 ASN 60 11.058 -12.605 0.547 503 H ALA 61 H ALA 61 7.502 -7.079 0.254 504 HA ALA 61 HA ALA 61 5.882 -6.776 -1.977 505 HB1 ALA 61 3HB ALA 61 5.286 -4.573 -1.040 506 HB2 ALA 61 1HB ALA 61 6.698 -4.635 0.023 507 HB3 ALA 61 2HB ALA 61 5.384 -5.794 0.227 508 H THR 62 H THR 62 6.418 -6.271 -4.020 509 HA THR 62 HA THR 62 8.815 -4.721 -4.670 510 HB THR 62 HB THR 62 6.712 -5.929 -6.526 511 HG1 THR 62 HG1 THR 62 8.423 -7.190 -4.940 512 HG21 THR 62 3HG2 THR 62 8.162 -4.267 -7.654 513 HG22 THR 62 1HG2 THR 62 8.498 -5.900 -8.232 514 HG23 THR 62 2HG2 THR 62 9.594 -5.127 -7.087 515 H ILE 63 H ILE 63 8.487 -2.591 -4.202 516 HA ILE 63 HA ILE 63 5.890 -1.304 -4.749 517 HB ILE 63 HB ILE 63 8.248 -0.385 -3.020 518 HG12 ILE 63 2HG1 ILE 63 5.520 -1.437 -2.137 519 HG13 ILE 63 3HG1 ILE 63 6.980 -2.419 -2.177 520 HG21 ILE 63 1HG2 ILE 63 5.474 0.874 -3.288 521 HG22 ILE 63 2HG2 ILE 63 6.978 1.558 -3.906 522 HG23 ILE 63 3HG2 ILE 63 6.739 1.395 -2.168 523 HD11 ILE 63 3HD1 ILE 63 6.506 -1.710 0.042 524 HD12 ILE 63 1HD1 ILE 63 6.441 -0.019 -0.457 525 HD13 ILE 63 2HD1 ILE 63 7.970 -0.900 -0.515 526 H ARG 64 H ARG 64 5.699 0.123 -6.339 527 HA ARG 64 HA ARG 64 8.059 1.190 -7.755 528 HB2 ARG 64 2HB ARG 64 5.111 1.208 -8.586 529 HB3 ARG 64 3HB ARG 64 6.459 1.782 -9.560 530 HG2 ARG 64 2HG ARG 64 5.902 -1.081 -8.738 531 HG3 ARG 64 3HG ARG 64 5.747 -0.392 -10.354 532 HD2 ARG 64 2HD ARG 64 8.322 -0.785 -8.794 533 HD3 ARG 64 3HD ARG 64 7.790 -1.700 -10.206 534 HE ARG 64 HE ARG 64 7.841 0.735 -11.243 535 HH11 ARG 64 1HH1 ARG 64 10.246 -0.834 -9.207 536 HH12 ARG 64 2HH1 ARG 64 11.570 0.051 -9.889 537 HH21 ARG 64 1HH2 ARG 64 9.612 1.918 -12.111 538 HH22 ARG 64 2HH2 ARG 64 11.215 1.601 -11.525 539 H LYS 65 H LYS 65 8.701 2.982 -6.760 540 HA LYS 65 HA LYS 65 6.746 4.738 -5.402 541 HB2 LYS 65 2HB LYS 65 8.273 3.612 -3.878 542 HB3 LYS 65 3HB LYS 65 9.670 4.097 -4.833 543 HG2 LYS 65 2HG LYS 65 9.259 6.461 -4.258 544 HG3 LYS 65 3HG LYS 65 7.849 5.986 -3.302 545 HD2 LYS 65 2HD LYS 65 9.290 4.705 -1.776 546 HD3 LYS 65 3HD LYS 65 10.706 5.098 -2.760 547 HE2 LYS 65 2HE LYS 65 10.479 7.464 -2.219 548 HE3 LYS 65 3HE LYS 65 8.976 7.151 -1.344 549 HZ1 LYS 65 3HZ LYS 65 10.851 7.369 0.144 550 HZ2 LYS 65 1HZ LYS 65 11.633 6.070 -0.601 551 HZ3 LYS 65 2HZ LYS 65 10.190 5.819 0.230 552 H THR 66 H THR 66 6.521 6.740 -6.199 553 HA THR 66 HA THR 66 8.842 8.236 -7.149 554 HB THR 66 HB THR 66 6.313 8.027 -8.869 555 HG1 THR 66 HG1 THR 66 8.782 6.702 -8.940 556 HG21 THR 66 3HG2 THR 66 7.562 9.344 -10.527 557 HG22 THR 66 1HG2 THR 66 8.951 9.441 -9.436 558 HG23 THR 66 2HG2 THR 66 7.438 10.245 -9.018 559 H GLY 67 H GLY 67 8.809 10.150 -6.134 560 HA2 GLY 67 2HA GLY 67 6.497 11.819 -5.779 561 HA3 GLY 67 3HA GLY 67 6.975 11.027 -4.274 562 H GLY 68 H GLY 68 9.636 10.999 -4.284 563 HA2 GLY 68 2HA GLY 68 11.655 12.093 -4.264 564 HA3 GLY 68 3HA GLY 68 10.999 13.225 -5.436 565 H SER 69 H SER 69 10.600 15.239 -4.784 566 HA SER 69 HA SER 69 9.490 16.087 -2.357 567 HB2 SER 69 2HB SER 69 11.703 15.695 -1.356 568 HB3 SER 69 3HB SER 69 12.477 16.654 -2.616 569 HG SER 69 HG SER 69 11.129 17.459 -0.351 570 H LEU 70 H LEU 70 8.227 17.583 -3.240 571 HA LEU 70 HA LEU 70 8.848 18.950 -5.684 572 HB2 LEU 70 2HB LEU 70 6.515 19.216 -3.758 573 HB3 LEU 70 3HB LEU 70 6.600 20.027 -5.316 574 HG LEU 70 HG LEU 70 6.621 17.003 -4.959 575 HD11 LEU 70 1HD1 LEU 70 4.307 18.781 -5.782 576 HD12 LEU 70 2HD1 LEU 70 4.474 17.920 -4.249 577 HD13 LEU 70 3HD1 LEU 70 4.313 17.015 -5.749 578 HD21 LEU 70 3HD2 LEU 70 6.221 16.916 -7.392 579 HD22 LEU 70 1HD2 LEU 70 7.754 17.701 -7.016 580 HD23 LEU 70 2HD2 LEU 70 6.359 18.673 -7.489 581 H GLU 71 H GLU 71 7.567 20.582 -2.756 582 HA GLU 71 HA GLU 71 9.618 22.689 -3.044 583 HB2 GLU 71 2HB GLU 71 7.178 23.383 -2.920 584 HB3 GLU 71 3HB GLU 71 7.116 22.735 -1.285 585 HG2 GLU 71 2HG GLU 71 8.880 24.359 -0.603 586 HG3 GLU 71 3HG GLU 71 8.874 25.026 -2.233 587 H HIS 72 H HIS 72 11.392 22.276 -1.921 588 HA HIS 72 HA HIS 72 11.532 20.476 0.332 589 HB2 HIS 72 2HB HIS 72 13.628 22.349 -0.877 590 HB3 HIS 72 3HB HIS 72 13.961 21.151 0.372 591 HD1 HIS 72 HD1 HIS 72 15.020 19.127 -0.577 592 HD2 HIS 72 HD2 HIS 72 12.391 20.853 -3.300 593 HE1 HIS 72 HE1 HIS 72 15.216 17.756 -2.674 594 HE2 HIS 72 HE2 HIS 72 13.727 18.902 -4.341 595 H HIS 73 H HIS 73 11.270 21.039 2.441 596 HA HIS 73 HA HIS 73 10.528 23.723 3.174 597 HB2 HIS 73 2HB HIS 73 10.804 21.205 4.865 598 HB3 HIS 73 3HB HIS 73 10.240 22.747 5.501 599 HD1 HIS 73 HD1 HIS 73 7.785 22.548 5.823 600 HD2 HIS 73 HD2 HIS 73 9.003 20.718 2.300 601 HE1 HIS 73 HE1 HIS 73 5.687 21.717 4.738 602 HE2 HIS 73 HE2 HIS 73 6.432 20.829 2.505 603 H HIS 74 H HIS 74 13.544 22.234 2.936 604 HA HIS 74 HA HIS 74 14.919 23.856 4.874 605 HB2 HIS 74 2HB HIS 74 15.892 21.736 3.980 606 HB3 HIS 74 3HB HIS 74 16.032 22.473 2.387 607 HD1 HIS 74 HD1 HIS 74 17.728 22.205 5.661 608 HD2 HIS 74 HD2 HIS 74 18.087 24.533 2.236 609 HE1 HIS 74 HE1 HIS 74 19.978 23.312 5.834 610 HE2 HIS 74 HE2 HIS 74 20.164 24.736 3.768 611 H HIS 75 H HIS 75 14.324 25.954 4.619 612 HA HIS 75 HA HIS 75 15.158 27.425 2.175 613 HB2 HIS 75 2HB HIS 75 12.853 28.051 4.092 614 HB3 HIS 75 3HB HIS 75 13.429 29.165 2.859 615 HD1 HIS 75 HD1 HIS 75 12.566 28.831 0.507 616 HD2 HIS 75 HD2 HIS 75 11.403 25.819 3.111 617 HE1 HIS 75 HE1 HIS 75 10.826 27.512 -0.725 618 HE2 HIS 75 HE2 HIS 75 10.342 25.556 0.775 619 H HIS 76 H HIS 76 15.775 29.720 2.740 620 HA HIS 76 HA HIS 76 16.971 29.995 5.414 621 HB2 HIS 76 2HB HIS 76 18.321 30.693 3.414 622 HB3 HIS 76 3HB HIS 76 17.115 31.921 3.042 623 HD1 HIS 76 HD1 HIS 76 19.821 31.093 5.540 624 HD2 HIS 76 HD2 HIS 76 17.286 34.251 4.612 625 HE1 HIS 76 HE1 HIS 76 20.665 33.049 6.870 626 HE2 HIS 76 HE2 HIS 76 19.191 34.974 6.201 627 H HIS 77 H HIS 77 15.048 30.096 6.601 628 HA HIS 77 HA HIS 77 13.131 32.231 6.181 629 HB2 HIS 77 2HB HIS 77 12.360 30.087 7.134 630 HB3 HIS 77 3HB HIS 77 13.462 30.259 8.499 631 HD1 HIS 77 HD1 HIS 77 12.628 31.587 10.483 632 HD2 HIS 77 HD2 HIS 77 10.152 32.003 7.165 633 HE1 HIS 77 HE1 HIS 77 10.605 32.825 11.301 634 HE2 HIS 77 HE2 HIS 77 9.237 33.258 9.238 Start of MODEL 13 1 H1 MET 1 1H MET 1 -0.303 13.945 -3.312 2 H2 MET 1 2H MET 1 1.342 13.568 -3.308 3 H3 MET 1 3H MET 1 0.204 12.408 -2.859 4 HA MET 1 HA MET 1 -0.670 12.240 -5.013 5 HB2 MET 1 2HB MET 1 0.228 13.623 -6.894 6 HB3 MET 1 3HB MET 1 -0.562 14.591 -5.659 7 HG2 MET 1 2HG MET 1 1.607 15.264 -4.759 8 HG3 MET 1 3HG MET 1 2.431 14.236 -5.932 9 HE1 MET 1 3HE MET 1 0.541 17.576 -5.279 10 HE2 MET 1 1HE MET 1 -0.655 16.815 -6.329 11 HE3 MET 1 2HE MET 1 0.270 18.203 -6.904 12 H VAL 2 H VAL 2 1.681 11.240 -3.336 13 HA VAL 2 HA VAL 2 3.616 10.314 -5.303 14 HB VAL 2 HB VAL 2 3.338 9.493 -2.374 15 HG11 VAL 2 1HG1 VAL 2 5.685 8.713 -2.571 16 HG12 VAL 2 2HG1 VAL 2 5.678 9.126 -4.288 17 HG13 VAL 2 3HG1 VAL 2 4.624 7.846 -3.685 18 HG21 VAL 2 3HG2 VAL 2 5.157 11.104 -1.904 19 HG22 VAL 2 1HG2 VAL 2 3.734 11.921 -2.560 20 HG23 VAL 2 2HG2 VAL 2 5.137 11.626 -3.591 21 H ASP 3 H ASP 3 3.126 8.706 -6.597 22 HA ASP 3 HA ASP 3 0.820 6.982 -6.188 23 HB2 ASP 3 2HB ASP 3 1.286 8.196 -8.356 24 HB3 ASP 3 3HB ASP 3 2.728 7.216 -8.569 25 H LEU 4 H LEU 4 1.330 5.324 -4.778 26 HA LEU 4 HA LEU 4 3.762 3.695 -5.173 27 HB2 LEU 4 2HB LEU 4 1.714 3.698 -2.904 28 HB3 LEU 4 3HB LEU 4 3.194 2.747 -2.937 29 HG LEU 4 HG LEU 4 3.046 5.792 -2.826 30 HD11 LEU 4 1HD1 LEU 4 2.360 4.789 -0.712 31 HD12 LEU 4 2HD1 LEU 4 3.925 5.580 -0.545 32 HD13 LEU 4 3HD1 LEU 4 3.835 3.819 -0.658 33 HD21 LEU 4 3HD2 LEU 4 5.014 5.054 -4.074 34 HD22 LEU 4 1HD2 LEU 4 5.481 3.978 -2.752 35 HD23 LEU 4 2HD2 LEU 4 5.481 5.729 -2.517 36 H LYS 5 H LYS 5 3.438 2.099 -6.614 37 HA LYS 5 HA LYS 5 0.865 0.631 -6.711 38 HB2 LYS 5 2HB LYS 5 1.625 1.673 -8.842 39 HB3 LYS 5 3HB LYS 5 3.128 0.759 -8.759 40 HG2 LYS 5 2HG LYS 5 1.883 -1.349 -8.997 41 HG3 LYS 5 3HG LYS 5 0.355 -0.461 -9.009 42 HD2 LYS 5 2HD LYS 5 1.049 0.688 -11.101 43 HD3 LYS 5 3HD LYS 5 2.568 -0.209 -11.086 44 HE2 LYS 5 2HE LYS 5 -0.158 -1.541 -11.244 45 HE3 LYS 5 3HE LYS 5 0.802 -1.111 -12.658 46 HZ1 LYS 5 3HZ LYS 5 1.761 -2.907 -10.500 47 HZ2 LYS 5 1HZ LYS 5 2.509 -2.601 -11.986 48 HZ3 LYS 5 2HZ LYS 5 1.043 -3.448 -11.933 49 H ILE 6 H ILE 6 0.914 -1.183 -5.520 50 HA ILE 6 HA ILE 6 3.499 -2.307 -4.625 51 HB ILE 6 HB ILE 6 0.712 -2.541 -3.393 52 HG12 ILE 6 2HG1 ILE 6 1.498 -0.217 -3.200 53 HG13 ILE 6 3HG1 ILE 6 1.523 -0.982 -1.616 54 HG21 ILE 6 1HG2 ILE 6 2.104 -4.482 -2.866 55 HG22 ILE 6 2HG2 ILE 6 1.858 -3.499 -1.425 56 HG23 ILE 6 3HG2 ILE 6 3.396 -3.426 -2.286 57 HD11 ILE 6 3HD1 ILE 6 3.451 0.410 -1.913 58 HD12 ILE 6 1HD1 ILE 6 3.894 -0.436 -3.394 59 HD13 ILE 6 2HD1 ILE 6 3.965 -1.274 -1.839 60 H ASP 7 H ASP 7 4.021 -4.236 -5.700 61 HA ASP 7 HA ASP 7 2.167 -5.951 -6.981 62 HB2 ASP 7 2HB ASP 7 4.602 -5.971 -7.465 63 HB3 ASP 7 3HB ASP 7 4.927 -6.613 -5.859 64 H VAL 8 H VAL 8 0.708 -7.335 -6.086 65 HA VAL 8 HA VAL 8 1.302 -8.642 -3.503 66 HB VAL 8 HB VAL 8 -1.144 -8.654 -2.918 67 HG11 VAL 8 1HG1 VAL 8 -1.261 -6.348 -2.059 68 HG12 VAL 8 2HG1 VAL 8 0.032 -5.858 -3.157 69 HG13 VAL 8 3HG1 VAL 8 0.363 -7.017 -1.867 70 HG21 VAL 8 3HG2 VAL 8 -1.493 -6.607 -5.149 71 HG22 VAL 8 1HG2 VAL 8 -2.731 -7.081 -3.978 72 HG23 VAL 8 2HG2 VAL 8 -2.128 -8.252 -5.153 73 H SER 9 H SER 9 1.355 -10.752 -3.754 74 HA SER 9 HA SER 9 0.732 -11.997 -6.283 75 HB2 SER 9 2HB SER 9 2.768 -12.558 -4.910 76 HB3 SER 9 3HB SER 9 1.719 -13.301 -3.705 77 HG SER 9 HG SER 9 1.048 -14.780 -5.319 78 H ASP 10 H ASP 10 -0.784 -11.762 -3.144 79 HA ASP 10 HA ASP 10 -2.830 -13.791 -3.853 80 HB2 ASP 10 2HB ASP 10 -2.096 -12.650 -1.118 81 HB3 ASP 10 3HB ASP 10 -3.369 -13.826 -1.407 82 H ASP 11 H ASP 11 -5.012 -13.335 -3.377 83 HA ASP 11 HA ASP 11 -5.888 -10.594 -3.863 84 HB2 ASP 11 2HB ASP 11 -7.031 -12.401 -5.058 85 HB3 ASP 11 3HB ASP 11 -7.413 -13.216 -3.545 86 H GLU 12 H GLU 12 -5.939 -13.036 -1.329 87 HA GLU 12 HA GLU 12 -7.231 -11.731 0.768 88 HB2 GLU 12 2HB GLU 12 -6.547 -14.091 0.887 89 HB3 GLU 12 3HB GLU 12 -4.848 -13.625 0.838 90 HG2 GLU 12 2HG GLU 12 -5.255 -12.364 3.029 91 HG3 GLU 12 3HG GLU 12 -6.830 -13.157 3.096 92 H GLU 13 H GLU 13 -3.905 -11.497 -0.407 93 HA GLU 13 HA GLU 13 -2.715 -10.082 1.685 94 HB2 GLU 13 2HB GLU 13 -1.514 -11.187 -0.272 95 HB3 GLU 13 3HB GLU 13 -1.967 -9.795 -1.248 96 HG2 GLU 13 2HG GLU 13 0.231 -9.303 -0.561 97 HG3 GLU 13 3HG GLU 13 -0.765 -8.365 0.552 98 H ALA 14 H ALA 14 -4.494 -9.036 -1.163 99 HA ALA 14 HA ALA 14 -4.011 -6.309 -1.137 100 HB1 ALA 14 3HB ALA 14 -6.530 -7.768 -2.024 101 HB2 ALA 14 1HB ALA 14 -5.092 -7.480 -3.006 102 HB3 ALA 14 2HB ALA 14 -6.081 -6.119 -2.475 103 H GLU 15 H GLU 15 -6.575 -8.151 0.567 104 HA GLU 15 HA GLU 15 -7.890 -6.028 1.840 105 HB2 GLU 15 2HB GLU 15 -7.416 -8.857 2.889 106 HB3 GLU 15 3HB GLU 15 -8.603 -7.731 3.542 107 HG2 GLU 15 2HG GLU 15 -8.605 -8.973 0.779 108 HG3 GLU 15 3HG GLU 15 -9.694 -9.355 2.114 109 H LYS 16 H LYS 16 -5.069 -7.884 2.801 110 HA LYS 16 HA LYS 16 -4.811 -6.895 5.443 111 HB2 LYS 16 2HB LYS 16 -2.734 -8.216 3.657 112 HB3 LYS 16 3HB LYS 16 -2.638 -8.057 5.409 113 HG2 LYS 16 2HG LYS 16 -4.510 -9.575 5.719 114 HG3 LYS 16 3HG LYS 16 -4.821 -9.613 3.980 115 HD2 LYS 16 2HD LYS 16 -3.663 -11.663 4.658 116 HD3 LYS 16 3HD LYS 16 -2.616 -10.699 3.614 117 HE2 LYS 16 2HE LYS 16 -1.468 -9.831 5.684 118 HE3 LYS 16 3HE LYS 16 -2.448 -10.949 6.636 119 HZ1 LYS 16 3HZ LYS 16 -0.520 -11.701 4.509 120 HZ2 LYS 16 1HZ LYS 16 -1.477 -12.782 5.392 121 HZ3 LYS 16 2HZ LYS 16 -0.288 -11.878 6.178 122 H ILE 17 H ILE 17 -3.600 -5.765 2.320 123 HA ILE 17 HA ILE 17 -1.701 -3.875 3.433 124 HB ILE 17 HB ILE 17 -2.806 -3.949 0.582 125 HG12 ILE 17 2HG1 ILE 17 -1.731 -6.096 1.055 126 HG13 ILE 17 3HG1 ILE 17 -0.700 -5.169 -0.025 127 HG21 ILE 17 1HG2 ILE 17 -0.302 -2.609 1.686 128 HG22 ILE 17 2HG2 ILE 17 -1.764 -1.789 1.132 129 HG23 ILE 17 3HG2 ILE 17 -0.760 -2.672 -0.020 130 HD11 ILE 17 3HD1 ILE 17 0.547 -6.349 1.678 131 HD12 ILE 17 1HD1 ILE 17 -0.305 -5.481 2.947 132 HD13 ILE 17 2HD1 ILE 17 0.760 -4.607 1.836 133 H ILE 18 H ILE 18 -4.903 -3.709 1.862 134 HA ILE 18 HA ILE 18 -5.225 -0.923 1.803 135 HB ILE 18 HB ILE 18 -7.310 -3.149 1.861 136 HG12 ILE 18 2HG1 ILE 18 -6.197 -1.472 -0.433 137 HG13 ILE 18 3HG1 ILE 18 -5.833 -3.158 -0.122 138 HG21 ILE 18 1HG2 ILE 18 -7.803 -0.207 1.270 139 HG22 ILE 18 2HG2 ILE 18 -8.386 -1.091 2.683 140 HG23 ILE 18 3HG2 ILE 18 -8.983 -1.505 1.077 141 HD11 ILE 18 3HD1 ILE 18 -7.370 -2.944 -1.955 142 HD12 ILE 18 1HD1 ILE 18 -8.510 -2.044 -0.956 143 HD13 ILE 18 2HD1 ILE 18 -8.168 -3.741 -0.601 144 H ARG 19 H ARG 19 -6.375 -3.290 4.222 145 HA ARG 19 HA ARG 19 -7.670 -1.466 5.957 146 HB2 ARG 19 2HB ARG 19 -6.529 -4.239 6.474 147 HB3 ARG 19 3HB ARG 19 -7.515 -3.350 7.635 148 HG2 ARG 19 2HG ARG 19 -9.405 -3.344 6.062 149 HG3 ARG 19 3HG ARG 19 -8.431 -4.207 4.865 150 HD2 ARG 19 2HD ARG 19 -9.924 -5.746 6.047 151 HD3 ARG 19 3HD ARG 19 -8.237 -6.122 6.405 152 HE ARG 19 HE ARG 19 -8.801 -4.589 8.486 153 HH11 ARG 19 1HH1 ARG 19 -10.817 -7.136 7.099 154 HH12 ARG 19 2HH1 ARG 19 -11.567 -7.523 8.616 155 HH21 ARG 19 1HH2 ARG 19 -9.739 -5.166 10.465 156 HH22 ARG 19 2HH2 ARG 19 -10.950 -6.404 10.526 157 H GLU 20 H GLU 20 -4.359 -2.741 5.865 158 HA GLU 20 HA GLU 20 -3.371 -1.751 8.297 159 HB2 GLU 20 2HB GLU 20 -2.177 -3.388 6.840 160 HB3 GLU 20 3HB GLU 20 -1.903 -2.122 5.653 161 HG2 GLU 20 2HG GLU 20 0.140 -2.438 6.865 162 HG3 GLU 20 3HG GLU 20 -0.536 -0.889 7.361 163 H ILE 21 H ILE 21 -3.321 -0.321 5.031 164 HA ILE 21 HA ILE 21 -2.044 2.101 5.739 165 HB ILE 21 HB ILE 21 -3.764 1.477 3.297 166 HG12 ILE 21 2HG1 ILE 21 -1.811 -0.025 3.444 167 HG13 ILE 21 3HG1 ILE 21 -1.605 1.097 2.107 168 HG21 ILE 21 1HG2 ILE 21 -1.845 3.794 3.745 169 HG22 ILE 21 2HG2 ILE 21 -3.597 3.900 3.570 170 HG23 ILE 21 3HG2 ILE 21 -2.608 3.391 2.205 171 HD11 ILE 21 3HD1 ILE 21 -0.052 2.423 3.486 172 HD12 ILE 21 1HD1 ILE 21 0.467 0.752 3.277 173 HD13 ILE 21 2HD1 ILE 21 -0.255 1.259 4.801 174 H ARG 22 H ARG 22 -5.483 1.191 5.435 175 HA ARG 22 HA ARG 22 -6.541 3.809 5.528 176 HB2 ARG 22 2HB ARG 22 -7.770 1.075 5.931 177 HB3 ARG 22 3HB ARG 22 -8.732 2.527 6.183 178 HG2 ARG 22 2HG ARG 22 -7.321 1.806 3.594 179 HG3 ARG 22 3HG ARG 22 -9.038 1.561 3.925 180 HD2 ARG 22 2HD ARG 22 -9.264 4.047 4.274 181 HD3 ARG 22 3HD ARG 22 -7.578 4.225 3.768 182 HE ARG 22 HE ARG 22 -8.837 2.791 1.766 183 HH11 ARG 22 1HH1 ARG 22 -9.194 6.018 3.143 184 HH12 ARG 22 2HH1 ARG 22 -9.795 6.698 1.668 185 HH21 ARG 22 1HH2 ARG 22 -9.664 3.707 -0.129 186 HH22 ARG 22 2HH2 ARG 22 -10.059 5.397 -0.176 187 H GLU 23 H GLU 23 -5.747 1.549 8.159 188 HA GLU 23 HA GLU 23 -7.382 2.870 10.124 189 HB2 GLU 23 2HB GLU 23 -5.216 0.758 10.345 190 HB3 GLU 23 3HB GLU 23 -6.026 1.424 11.767 191 HG2 GLU 23 2HG GLU 23 -8.217 0.670 10.836 192 HG3 GLU 23 3HG GLU 23 -7.363 -0.065 9.478 193 H GLN 24 H GLN 24 -3.996 3.150 9.146 194 HA GLN 24 HA GLN 24 -3.429 5.179 11.192 195 HB2 GLN 24 2HB GLN 24 -1.762 3.992 8.931 196 HB3 GLN 24 3HB GLN 24 -1.200 5.339 9.907 197 HG2 GLN 24 2HG GLN 24 -0.190 3.326 10.743 198 HG3 GLN 24 3HG GLN 24 -1.349 3.901 11.936 199 HE21 GLN 24 1HE2 GLN 24 -0.694 1.462 9.538 200 HE22 GLN 24 2HE2 GLN 24 -1.863 0.316 10.077 201 H TRP 25 H TRP 25 -4.296 4.951 7.826 202 HA TRP 25 HA TRP 25 -4.385 7.901 7.516 203 HB2 TRP 25 2HB TRP 25 -3.269 6.031 5.375 204 HB3 TRP 25 3HB TRP 25 -3.354 7.790 5.297 205 HD1 TRP 25 HD1 TRP 25 -1.714 9.110 7.161 206 HE1 TRP 25 HE1 TRP 25 0.592 8.412 8.048 207 HE3 TRP 25 HE3 TRP 25 -1.744 4.174 5.828 208 HZ2 TRP 25 HZ2 TRP 25 2.174 6.112 8.183 209 HZ3 TRP 25 HZ3 TRP 25 0.214 2.784 6.368 210 HH2 TRP 25 HH2 TRP 25 2.145 3.742 7.525 211 HA PRO 26 HA PRO 26 -8.429 6.158 6.026 212 HB2 PRO 26 2HB PRO 26 -10.019 8.150 7.021 213 HB3 PRO 26 3HB PRO 26 -9.419 6.832 8.048 214 HG2 PRO 26 2HG PRO 26 -8.332 9.622 7.762 215 HG3 PRO 26 3HG PRO 26 -8.634 8.684 9.245 216 HD2 PRO 26 2HD PRO 26 -6.143 8.886 8.133 217 HD3 PRO 26 3HD PRO 26 -6.670 7.438 9.020 218 H LYS 27 H LYS 27 -6.894 9.287 5.737 219 HA LYS 27 HA LYS 27 -8.417 10.102 3.383 220 HB2 LYS 27 2HB LYS 27 -6.213 11.535 4.918 221 HB3 LYS 27 3HB LYS 27 -7.261 12.242 3.694 222 HG2 LYS 27 2HG LYS 27 -8.111 11.249 6.432 223 HG3 LYS 27 3HG LYS 27 -7.943 12.931 5.919 224 HD2 LYS 27 2HD LYS 27 -9.747 12.504 4.190 225 HD3 LYS 27 3HD LYS 27 -9.991 10.911 4.918 226 HE2 LYS 27 2HE LYS 27 -11.641 12.492 5.780 227 HE3 LYS 27 3HE LYS 27 -10.546 12.020 7.081 228 HZ1 LYS 27 3HZ LYS 27 -9.331 14.090 6.759 229 HZ2 LYS 27 1HZ LYS 27 -10.965 14.401 7.079 230 HZ3 LYS 27 2HZ LYS 27 -10.369 14.530 5.500 231 H ALA 28 H ALA 28 -6.734 7.794 3.105 232 HA ALA 28 HA ALA 28 -4.471 8.718 1.437 233 HB1 ALA 28 3HB ALA 28 -3.495 6.438 1.805 234 HB2 ALA 28 1HB ALA 28 -4.770 6.094 2.979 235 HB3 ALA 28 2HB ALA 28 -3.594 7.369 3.297 236 H THR 29 H THR 29 -5.264 8.539 -0.725 237 HA THR 29 HA THR 29 -7.717 7.174 -1.211 238 HB THR 29 HB THR 29 -5.722 8.361 -3.190 239 HG1 THR 29 HG1 THR 29 -6.683 9.789 -1.511 240 HG21 THR 29 3HG2 THR 29 -8.683 7.714 -3.550 241 HG22 THR 29 1HG2 THR 29 -7.341 6.850 -4.314 242 HG23 THR 29 2HG2 THR 29 -7.660 8.533 -4.730 243 H VAL 30 H VAL 30 -7.654 5.011 -1.020 244 HA VAL 30 HA VAL 30 -5.478 3.421 -2.199 245 HB VAL 30 HB VAL 30 -7.735 2.453 -0.376 246 HG11 VAL 30 1HG1 VAL 30 -6.326 0.435 -0.099 247 HG12 VAL 30 2HG1 VAL 30 -5.151 1.097 -1.236 248 HG13 VAL 30 3HG1 VAL 30 -6.773 0.678 -1.790 249 HG21 VAL 30 3HG2 VAL 30 -6.305 4.046 0.856 250 HG22 VAL 30 1HG2 VAL 30 -4.868 3.131 0.396 251 HG23 VAL 30 2HG2 VAL 30 -6.076 2.405 1.460 252 H THR 31 H THR 31 -5.858 2.057 -3.844 253 HA THR 31 HA THR 31 -8.551 1.680 -4.977 254 HB THR 31 HB THR 31 -6.101 2.572 -6.586 255 HG1 THR 31 HG1 THR 31 -8.127 3.990 -5.380 256 HG21 THR 31 3HG2 THR 31 -7.646 2.728 -8.511 257 HG22 THR 31 1HG2 THR 31 -8.963 2.109 -7.516 258 HG23 THR 31 2HG2 THR 31 -7.583 1.074 -7.894 259 H ARG 32 H ARG 32 -8.795 -0.430 -5.583 260 HA ARG 32 HA ARG 32 -6.455 -2.215 -5.537 261 HB2 ARG 32 2HB ARG 32 -8.479 -2.850 -4.241 262 HB3 ARG 32 3HB ARG 32 -9.423 -2.883 -5.728 263 HG2 ARG 32 2HG ARG 32 -7.917 -4.717 -6.577 264 HG3 ARG 32 3HG ARG 32 -7.096 -4.717 -5.013 265 HD2 ARG 32 2HD ARG 32 -10.045 -5.307 -5.455 266 HD3 ARG 32 3HD ARG 32 -8.796 -6.522 -5.195 267 HE ARG 32 HE ARG 32 -8.633 -5.882 -2.936 268 HH11 ARG 32 1HH1 ARG 32 -11.192 -4.064 -4.553 269 HH12 ARG 32 2HH1 ARG 32 -11.946 -3.584 -3.066 270 HH21 ARG 32 1HH2 ARG 32 -9.647 -5.259 -1.032 271 HH22 ARG 32 2HH2 ARG 32 -11.065 -4.260 -1.081 272 H THR 33 H THR 33 -5.702 -3.186 -7.288 273 HA THR 33 HA THR 33 -7.127 -3.173 -9.875 274 HB THR 33 HB THR 33 -4.864 -2.820 -11.001 275 HG1 THR 33 HG1 THR 33 -3.840 -3.168 -8.689 276 HG21 THR 33 3HG2 THR 33 -5.729 -0.467 -9.273 277 HG22 THR 33 1HG2 THR 33 -6.382 -0.873 -10.862 278 HG23 THR 33 2HG2 THR 33 -4.698 -0.354 -10.703 279 H ASN 34 H ASN 34 -6.917 -5.358 -10.780 280 HA ASN 34 HA ASN 34 -6.327 -7.363 -8.896 281 HB2 ASN 34 2HB ASN 34 -6.688 -8.980 -10.771 282 HB3 ASN 34 3HB ASN 34 -7.973 -7.791 -10.611 283 HD21 ASN 34 1HD2 ASN 34 -7.074 -9.460 -12.919 284 HD22 ASN 34 2HD2 ASN 34 -6.825 -8.337 -14.210 285 H GLY 35 H GLY 35 -4.347 -7.633 -8.112 286 HA2 GLY 35 2HA GLY 35 -2.296 -8.942 -8.463 287 HA3 GLY 35 3HA GLY 35 -2.040 -8.031 -9.939 288 H ASP 36 H ASP 36 -3.073 -5.575 -8.259 289 HA ASP 36 HA ASP 36 -0.658 -5.045 -6.668 290 HB2 ASP 36 2HB ASP 36 -1.456 -3.493 -9.168 291 HB3 ASP 36 3HB ASP 36 -0.534 -2.709 -7.892 292 H ILE 37 H ILE 37 -0.883 -3.442 -5.120 293 HA ILE 37 HA ILE 37 -3.512 -2.215 -4.677 294 HB ILE 37 HB ILE 37 -1.043 -2.316 -2.877 295 HG12 ILE 37 2HG1 ILE 37 -2.216 -4.482 -3.077 296 HG13 ILE 37 3HG1 ILE 37 -2.453 -3.813 -1.466 297 HG21 ILE 37 1HG2 ILE 37 -2.459 -1.308 -1.104 298 HG22 ILE 37 2HG2 ILE 37 -3.766 -1.081 -2.268 299 HG23 ILE 37 3HG2 ILE 37 -2.245 -0.205 -2.464 300 HD11 ILE 37 3HD1 ILE 37 -4.698 -3.059 -2.123 301 HD12 ILE 37 1HD1 ILE 37 -4.474 -4.791 -2.325 302 HD13 ILE 37 2HD1 ILE 37 -4.441 -3.744 -3.733 303 H LYS 38 H LYS 38 -3.781 -0.449 -5.774 304 HA LYS 38 HA LYS 38 -1.632 1.370 -6.491 305 HB2 LYS 38 2HB LYS 38 -3.613 0.579 -8.006 306 HB3 LYS 38 3HB LYS 38 -4.609 1.682 -7.067 307 HG2 LYS 38 2HG LYS 38 -3.985 2.827 -9.054 308 HG3 LYS 38 3HG LYS 38 -3.028 3.534 -7.744 309 HD2 LYS 38 2HD LYS 38 -1.072 2.159 -8.413 310 HD3 LYS 38 3HD LYS 38 -2.037 1.401 -9.686 311 HE2 LYS 38 2HE LYS 38 -1.257 4.317 -9.516 312 HE3 LYS 38 3HE LYS 38 -0.617 3.127 -10.642 313 HZ1 LYS 38 3HZ LYS 38 -3.392 4.173 -10.539 314 HZ2 LYS 38 1HZ LYS 38 -2.884 2.922 -11.556 315 HZ3 LYS 38 2HZ LYS 38 -2.238 4.475 -11.738 316 H LEU 39 H LEU 39 -1.066 2.756 -4.882 317 HA LEU 39 HA LEU 39 -3.084 3.796 -2.978 318 HB2 LEU 39 2HB LEU 39 -1.626 2.176 -1.874 319 HB3 LEU 39 3HB LEU 39 -0.189 2.967 -2.502 320 HG LEU 39 HG LEU 39 -0.629 4.950 -1.068 321 HD11 LEU 39 1HD1 LEU 39 -2.374 4.942 0.639 322 HD12 LEU 39 2HD1 LEU 39 -3.011 3.421 0.006 323 HD13 LEU 39 3HD1 LEU 39 -3.061 4.885 -0.983 324 HD21 LEU 39 3HD2 LEU 39 0.792 3.187 -0.189 325 HD22 LEU 39 1HD2 LEU 39 -0.613 2.347 0.477 326 HD23 LEU 39 2HD2 LEU 39 -0.143 3.928 1.108 327 H ASP 40 H ASP 40 -3.000 5.940 -2.520 328 HA ASP 40 HA ASP 40 -1.034 7.653 -3.927 329 HB2 ASP 40 2HB ASP 40 -3.217 7.939 -4.957 330 HB3 ASP 40 3HB ASP 40 -3.987 8.094 -3.383 331 H ALA 41 H ALA 41 0.350 8.113 -2.388 332 HA ALA 41 HA ALA 41 -0.348 8.695 0.370 333 HB1 ALA 41 3HB ALA 41 2.101 8.979 0.663 334 HB2 ALA 41 1HB ALA 41 2.324 8.787 -1.078 335 HB3 ALA 41 2HB ALA 41 1.701 7.446 -0.117 336 H GLN 42 H GLN 42 -0.358 10.702 1.313 337 HA GLN 42 HA GLN 42 -1.074 12.923 -0.263 338 HB2 GLN 42 2HB GLN 42 -0.275 12.840 2.679 339 HB3 GLN 42 3HB GLN 42 -0.973 14.246 1.882 340 HG2 GLN 42 2HG GLN 42 -2.786 13.244 3.019 341 HG3 GLN 42 3HG GLN 42 -3.003 12.765 1.340 342 HE21 GLN 42 1HE2 GLN 42 -2.099 11.664 4.536 343 HE22 GLN 42 2HE2 GLN 42 -2.280 9.974 4.231 344 H THR 43 H THR 43 1.875 12.426 1.706 345 HA THR 43 HA THR 43 3.401 14.120 -0.156 346 HB THR 43 HB THR 43 2.841 15.467 1.894 347 HG1 THR 43 HG1 THR 43 4.639 16.208 0.989 348 HG21 THR 43 3HG2 THR 43 3.973 14.995 4.030 349 HG22 THR 43 1HG2 THR 43 4.612 13.487 3.371 350 HG23 THR 43 2HG2 THR 43 2.872 13.681 3.603 351 H GLU 44 H GLU 44 5.852 13.838 0.337 352 HA GLU 44 HA GLU 44 6.542 11.138 -0.206 353 HB2 GLU 44 2HB GLU 44 8.287 13.541 0.486 354 HB3 GLU 44 3HB GLU 44 8.901 12.018 -0.151 355 HG2 GLU 44 2HG GLU 44 7.877 12.363 -2.274 356 HG3 GLU 44 3HG GLU 44 6.845 13.652 -1.652 357 H LYS 45 H LYS 45 6.889 13.210 2.651 358 HA LYS 45 HA LYS 45 8.288 11.412 4.326 359 HB2 LYS 45 2HB LYS 45 8.098 13.894 4.703 360 HB3 LYS 45 3HB LYS 45 6.406 13.681 5.118 361 HG2 LYS 45 2HG LYS 45 7.656 13.963 7.148 362 HG3 LYS 45 3HG LYS 45 7.098 12.295 7.084 363 HD2 LYS 45 2HD LYS 45 9.870 12.846 6.027 364 HD3 LYS 45 3HD LYS 45 9.642 12.982 7.766 365 HE2 LYS 45 2HE LYS 45 8.925 10.670 7.915 366 HE3 LYS 45 3HE LYS 45 8.915 10.511 6.157 367 HZ1 LYS 45 3HZ LYS 45 10.895 9.550 7.196 368 HZ2 LYS 45 1HZ LYS 45 11.332 11.069 7.787 369 HZ3 LYS 45 2HZ LYS 45 11.286 10.790 6.116 370 H GLU 46 H GLU 46 4.949 11.652 3.417 371 HA GLU 46 HA GLU 46 3.870 10.056 5.580 372 HB2 GLU 46 2HB GLU 46 2.622 11.939 4.323 373 HB3 GLU 46 3HB GLU 46 2.509 10.835 2.960 374 HG2 GLU 46 2HG GLU 46 0.430 10.714 4.118 375 HG3 GLU 46 3HG GLU 46 1.292 9.221 4.493 376 H ALA 47 H ALA 47 4.759 9.784 2.183 377 HA ALA 47 HA ALA 47 3.888 7.204 1.576 378 HB1 ALA 47 3HB ALA 47 5.387 7.359 -0.348 379 HB2 ALA 47 1HB ALA 47 6.236 8.721 0.392 380 HB3 ALA 47 2HB ALA 47 4.547 8.889 -0.096 381 H GLU 48 H GLU 48 6.877 8.321 3.102 382 HA GLU 48 HA GLU 48 8.410 5.963 2.961 383 HB2 GLU 48 2HB GLU 48 8.446 8.242 4.973 384 HB3 GLU 48 3HB GLU 48 9.648 6.949 4.960 385 HG2 GLU 48 2HG GLU 48 10.340 7.583 2.691 386 HG3 GLU 48 3HG GLU 48 9.106 8.843 2.656 387 H LYS 49 H LYS 49 5.917 6.964 5.210 388 HA LYS 49 HA LYS 49 6.231 4.753 7.039 389 HB2 LYS 49 2HB LYS 49 3.871 6.633 6.655 390 HB3 LYS 49 3HB LYS 49 4.191 5.632 8.070 391 HG2 LYS 49 2HG LYS 49 6.162 6.981 8.613 392 HG3 LYS 49 3HG LYS 49 5.933 7.947 7.148 393 HD2 LYS 49 2HD LYS 49 3.700 8.678 8.031 394 HD3 LYS 49 3HD LYS 49 4.023 7.778 9.518 395 HE2 LYS 49 2HE LYS 49 5.680 10.102 8.475 396 HE3 LYS 49 3HE LYS 49 4.484 10.197 9.769 397 HZ1 LYS 49 3HZ LYS 49 6.706 10.018 10.672 398 HZ2 LYS 49 1HZ LYS 49 6.977 8.580 9.818 399 HZ3 LYS 49 2HZ LYS 49 5.823 8.628 11.053 400 H MET 50 H MET 50 3.854 5.706 4.641 401 HA MET 50 HA MET 50 2.118 3.557 4.575 402 HB2 MET 50 2HB MET 50 2.982 5.263 2.224 403 HB3 MET 50 3HB MET 50 1.657 4.106 2.139 404 HG2 MET 50 2HG MET 50 0.560 5.343 4.034 405 HG3 MET 50 3HG MET 50 1.815 6.580 3.867 406 HE1 MET 50 3HE MET 50 -1.330 8.290 2.315 407 HE2 MET 50 1HE MET 50 -0.100 8.364 3.572 408 HE3 MET 50 2HE MET 50 -1.362 7.133 3.644 409 H GLU 51 H GLU 51 4.923 3.768 2.315 410 HA GLU 51 HA GLU 51 4.854 1.196 1.273 411 HB2 GLU 51 2HB GLU 51 7.132 1.550 0.570 412 HB3 GLU 51 3HB GLU 51 6.308 3.098 0.488 413 HG2 GLU 51 2HG GLU 51 7.362 3.800 2.575 414 HG3 GLU 51 3HG GLU 51 8.135 2.233 2.753 415 H LYS 52 H LYS 52 6.118 2.272 4.355 416 HA LYS 52 HA LYS 52 7.628 -0.063 5.052 417 HB2 LYS 52 2HB LYS 52 7.942 2.313 5.970 418 HB3 LYS 52 3HB LYS 52 6.504 2.049 6.938 419 HG2 LYS 52 2HG LYS 52 8.326 1.651 8.392 420 HG3 LYS 52 3HG LYS 52 7.705 0.055 7.974 421 HD2 LYS 52 2HD LYS 52 10.089 -0.084 7.909 422 HD3 LYS 52 3HD LYS 52 9.542 -0.106 6.234 423 HE2 LYS 52 2HE LYS 52 10.594 2.374 7.654 424 HE3 LYS 52 3HE LYS 52 11.579 1.311 6.655 425 HZ1 LYS 52 3HZ LYS 52 9.328 3.034 5.769 426 HZ2 LYS 52 1HZ LYS 52 10.003 1.825 4.796 427 HZ3 LYS 52 2HZ LYS 52 10.954 3.116 5.318 428 H ALA 53 H ALA 53 4.382 1.141 5.684 429 HA ALA 53 HA ALA 53 3.479 -0.866 7.468 430 HB1 ALA 53 3HB ALA 53 1.875 0.984 5.672 431 HB2 ALA 53 1HB ALA 53 2.406 1.342 7.317 432 HB3 ALA 53 2HB ALA 53 1.231 0.056 7.030 433 H VAL 54 H VAL 54 3.522 -0.619 3.927 434 HA VAL 54 HA VAL 54 2.086 -2.974 3.357 435 HB VAL 54 HB VAL 54 4.355 -1.632 1.819 436 HG11 VAL 54 1HG1 VAL 54 3.587 -2.892 -0.157 437 HG12 VAL 54 2HG1 VAL 54 2.407 -3.745 0.837 438 HG13 VAL 54 3HG1 VAL 54 4.133 -3.984 1.118 439 HG21 VAL 54 3HG2 VAL 54 2.546 -0.653 0.428 440 HG22 VAL 54 1HG2 VAL 54 2.398 -0.163 2.119 441 HG23 VAL 54 2HG2 VAL 54 1.339 -1.415 1.467 442 H LYS 55 H LYS 55 5.639 -2.458 3.689 443 HA LYS 55 HA LYS 55 6.336 -5.137 3.184 444 HB2 LYS 55 2HB LYS 55 7.947 -2.891 4.414 445 HB3 LYS 55 3HB LYS 55 8.626 -4.498 4.165 446 HG2 LYS 55 2HG LYS 55 8.032 -4.261 1.703 447 HG3 LYS 55 3HG LYS 55 7.648 -2.564 2.035 448 HD2 LYS 55 2HD LYS 55 9.960 -2.195 2.837 449 HD3 LYS 55 3HD LYS 55 10.339 -3.896 2.557 450 HE2 LYS 55 2HE LYS 55 9.608 -1.866 0.423 451 HE3 LYS 55 3HE LYS 55 11.228 -2.470 0.764 452 HZ1 LYS 55 3HZ LYS 55 10.424 -4.708 0.192 453 HZ2 LYS 55 1HZ LYS 55 10.333 -3.627 -1.105 454 HZ3 LYS 55 2HZ LYS 55 8.933 -4.049 -0.257 455 H LYS 56 H LYS 56 5.310 -3.710 6.210 456 HA LYS 56 HA LYS 56 6.403 -5.784 7.902 457 HB2 LYS 56 2HB LYS 56 5.007 -4.869 9.684 458 HB3 LYS 56 3HB LYS 56 5.813 -3.562 8.823 459 HG2 LYS 56 2HG LYS 56 3.725 -3.134 7.559 460 HG3 LYS 56 3HG LYS 56 2.906 -4.389 8.489 461 HD2 LYS 56 2HD LYS 56 4.185 -1.916 9.719 462 HD3 LYS 56 3HD LYS 56 2.486 -2.017 9.261 463 HE2 LYS 56 2HE LYS 56 3.833 -3.831 11.297 464 HE3 LYS 56 3HE LYS 56 2.848 -2.419 11.687 465 HZ1 LYS 56 3HZ LYS 56 1.928 -4.859 10.271 466 HZ2 LYS 56 1HZ LYS 56 0.982 -3.479 10.528 467 HZ3 LYS 56 2HZ LYS 56 1.525 -4.390 11.845 468 H VAL 57 H VAL 57 3.639 -5.499 5.875 469 HA VAL 57 HA VAL 57 2.200 -7.806 6.949 470 HB VAL 57 HB VAL 57 1.663 -6.173 4.409 471 HG11 VAL 57 1HG1 VAL 57 -0.636 -7.071 4.551 472 HG12 VAL 57 2HG1 VAL 57 -0.172 -8.046 5.948 473 HG13 VAL 57 3HG1 VAL 57 0.552 -8.367 4.370 474 HG21 VAL 57 3HG2 VAL 57 0.427 -5.794 7.162 475 HG22 VAL 57 1HG2 VAL 57 -0.015 -4.914 5.697 476 HG23 VAL 57 2HG2 VAL 57 1.593 -4.711 6.400 477 H LYS 58 H LYS 58 4.583 -7.058 4.530 478 HA LYS 58 HA LYS 58 4.782 -9.740 3.540 479 HB2 LYS 58 2HB LYS 58 4.322 -9.209 1.138 480 HB3 LYS 58 3HB LYS 58 2.903 -9.156 2.176 481 HG2 LYS 58 2HG LYS 58 3.026 -6.681 2.216 482 HG3 LYS 58 3HG LYS 58 4.429 -6.741 1.160 483 HD2 LYS 58 2HD LYS 58 1.609 -7.629 0.470 484 HD3 LYS 58 3HD LYS 58 2.419 -6.179 -0.109 485 HE2 LYS 58 2HE LYS 58 2.518 -7.700 -1.909 486 HE3 LYS 58 3HE LYS 58 4.131 -7.753 -1.202 487 HZ1 LYS 58 3HZ LYS 58 3.123 -9.940 -1.807 488 HZ2 LYS 58 1HZ LYS 58 2.013 -9.729 -0.556 489 HZ3 LYS 58 2HZ LYS 58 3.665 -9.838 -0.216 490 HA PRO 59 HA PRO 59 8.820 -7.725 3.762 491 HB2 PRO 59 2HB PRO 59 10.420 -9.947 3.458 492 HB3 PRO 59 3HB PRO 59 9.509 -9.620 4.947 493 HG2 PRO 59 2HG PRO 59 8.785 -11.453 2.674 494 HG3 PRO 59 3HG PRO 59 8.703 -11.750 4.427 495 HD2 PRO 59 2HD PRO 59 6.501 -11.060 2.984 496 HD3 PRO 59 3HD PRO 59 6.708 -10.560 4.677 497 H ASN 60 H ASN 60 8.061 -9.894 1.062 498 HA ASN 60 HA ASN 60 10.280 -8.915 -0.595 499 HB2 ASN 60 2HB ASN 60 8.217 -11.123 -1.029 500 HB3 ASN 60 3HB ASN 60 9.473 -10.714 -2.194 501 HD21 ASN 60 1HD2 ASN 60 11.627 -11.273 -1.739 502 HD22 ASN 60 2HD2 ASN 60 12.027 -12.407 -0.497 503 H ALA 61 H ALA 61 7.647 -7.357 0.051 504 HA ALA 61 HA ALA 61 6.108 -7.011 -2.263 505 HB1 ALA 61 3HB ALA 61 6.762 -4.913 -0.154 506 HB2 ALA 61 1HB ALA 61 5.487 -6.124 -0.046 507 HB3 ALA 61 2HB ALA 61 5.402 -4.876 -1.281 508 H THR 62 H THR 62 6.881 -6.493 -4.252 509 HA THR 62 HA THR 62 9.084 -4.672 -4.694 510 HB THR 62 HB THR 62 7.089 -5.791 -6.720 511 HG1 THR 62 HG1 THR 62 9.694 -6.757 -6.071 512 HG21 THR 62 3HG2 THR 62 8.840 -5.301 -8.391 513 HG22 THR 62 1HG2 THR 62 9.859 -4.597 -7.138 514 HG23 THR 62 2HG2 THR 62 8.333 -3.821 -7.575 515 H ILE 63 H ILE 63 8.664 -2.609 -4.066 516 HA ILE 63 HA ILE 63 6.055 -1.362 -4.481 517 HB ILE 63 HB ILE 63 8.561 -0.388 -3.022 518 HG12 ILE 63 2HG1 ILE 63 5.934 -1.458 -1.905 519 HG13 ILE 63 3HG1 ILE 63 7.445 -2.356 -1.963 520 HG21 ILE 63 1HG2 ILE 63 5.803 0.895 -3.051 521 HG22 ILE 63 2HG2 ILE 63 7.246 1.540 -3.834 522 HG23 ILE 63 3HG2 ILE 63 7.178 1.420 -2.075 523 HD11 ILE 63 3HD1 ILE 63 7.103 -1.588 0.239 524 HD12 ILE 63 1HD1 ILE 63 6.797 0.060 -0.300 525 HD13 ILE 63 2HD1 ILE 63 8.416 -0.630 -0.443 526 H ARG 64 H ARG 64 5.717 -0.336 -6.340 527 HA ARG 64 HA ARG 64 7.925 0.870 -7.882 528 HB2 ARG 64 2HB ARG 64 4.968 0.514 -8.578 529 HB3 ARG 64 3HB ARG 64 6.166 1.259 -9.635 530 HG2 ARG 64 2HG ARG 64 6.159 -1.621 -8.679 531 HG3 ARG 64 3HG ARG 64 5.762 -1.059 -10.305 532 HD2 ARG 64 2HD ARG 64 8.065 -0.293 -10.638 533 HD3 ARG 64 3HD ARG 64 8.477 -0.720 -8.973 534 HE ARG 64 HE ARG 64 7.534 -3.037 -10.174 535 HH11 ARG 64 1HH1 ARG 64 10.252 -0.831 -10.660 536 HH12 ARG 64 2HH1 ARG 64 11.287 -2.070 -11.303 537 HH21 ARG 64 1HH2 ARG 64 8.932 -4.646 -10.975 538 HH22 ARG 64 2HH2 ARG 64 10.539 -4.220 -11.479 539 H LYS 65 H LYS 65 8.480 2.678 -6.911 540 HA LYS 65 HA LYS 65 6.525 4.439 -5.619 541 HB2 LYS 65 2HB LYS 65 8.546 3.643 -4.394 542 HB3 LYS 65 3HB LYS 65 9.573 4.434 -5.585 543 HG2 LYS 65 2HG LYS 65 8.678 6.643 -4.893 544 HG3 LYS 65 3HG LYS 65 7.628 5.846 -3.716 545 HD2 LYS 65 2HD LYS 65 10.675 5.887 -3.697 546 HD3 LYS 65 3HD LYS 65 9.605 6.720 -2.567 547 HE2 LYS 65 2HE LYS 65 8.771 4.500 -1.774 548 HE3 LYS 65 3HE LYS 65 9.898 3.711 -2.873 549 HZ1 LYS 65 3HZ LYS 65 11.709 4.839 -1.663 550 HZ2 LYS 65 1HZ LYS 65 10.829 3.752 -0.713 551 HZ3 LYS 65 2HZ LYS 65 10.572 5.410 -0.548 552 H THR 66 H THR 66 5.649 5.785 -7.094 553 HA THR 66 HA THR 66 7.429 7.320 -8.905 554 HB THR 66 HB THR 66 4.427 6.841 -9.183 555 HG1 THR 66 HG1 THR 66 5.750 4.975 -9.626 556 HG21 THR 66 3HG2 THR 66 6.373 8.155 -11.126 557 HG22 THR 66 1HG2 THR 66 5.149 9.013 -10.180 558 HG23 THR 66 2HG2 THR 66 4.661 7.858 -11.422 559 H GLY 67 H GLY 67 7.706 9.365 -8.289 560 HA2 GLY 67 2HA GLY 67 5.448 10.838 -7.011 561 HA3 GLY 67 3HA GLY 67 7.153 11.223 -6.777 562 H GLY 68 H GLY 68 5.534 13.215 -7.635 563 HA2 GLY 68 2HA GLY 68 5.660 13.688 -10.444 564 HA3 GLY 68 3HA GLY 68 5.555 14.917 -9.186 565 H SER 69 H SER 69 7.615 15.119 -7.839 566 HA SER 69 HA SER 69 9.796 15.481 -7.471 567 HB2 SER 69 2HB SER 69 9.863 12.993 -7.855 568 HB3 SER 69 3HB SER 69 10.322 13.297 -9.531 569 HG SER 69 HG SER 69 11.753 14.021 -7.175 570 H LEU 70 H LEU 70 8.405 16.821 -9.872 571 HA LEU 70 HA LEU 70 10.500 17.296 -11.817 572 HB2 LEU 70 2HB LEU 70 7.835 17.223 -12.093 573 HB3 LEU 70 3HB LEU 70 7.948 18.921 -11.687 574 HG LEU 70 HG LEU 70 9.238 17.571 -14.103 575 HD11 LEU 70 1HD1 LEU 70 6.812 17.747 -14.323 576 HD12 LEU 70 2HD1 LEU 70 7.626 18.836 -15.443 577 HD13 LEU 70 3HD1 LEU 70 6.879 19.479 -13.976 578 HD21 LEU 70 3HD2 LEU 70 10.629 19.449 -13.345 579 HD22 LEU 70 1HD2 LEU 70 9.231 20.525 -13.395 580 HD23 LEU 70 2HD2 LEU 70 9.856 19.811 -14.884 581 H GLU 71 H GLU 71 12.054 18.093 -10.236 582 HA GLU 71 HA GLU 71 11.601 20.804 -9.149 583 HB2 GLU 71 2HB GLU 71 13.796 18.794 -8.482 584 HB3 GLU 71 3HB GLU 71 13.545 20.354 -7.699 585 HG2 GLU 71 2HG GLU 71 11.296 19.534 -6.915 586 HG3 GLU 71 3HG GLU 71 11.691 17.953 -7.588 587 H HIS 72 H HIS 72 11.844 20.984 -11.748 588 HA HIS 72 HA HIS 72 14.551 21.693 -12.545 589 HB2 HIS 72 2HB HIS 72 12.783 21.028 -14.222 590 HB3 HIS 72 3HB HIS 72 11.872 22.479 -13.826 591 HD1 HIS 72 HD1 HIS 72 12.790 24.733 -14.742 592 HD2 HIS 72 HD2 HIS 72 15.037 21.429 -15.866 593 HE1 HIS 72 HE1 HIS 72 14.367 25.560 -16.503 594 HE2 HIS 72 HE2 HIS 72 15.803 23.576 -17.051 595 H HIS 73 H HIS 73 15.149 24.042 -12.983 596 HA HIS 73 HA HIS 73 14.526 25.804 -10.867 597 HB2 HIS 73 2HB HIS 73 16.639 26.002 -12.170 598 HB3 HIS 73 3HB HIS 73 15.724 26.496 -13.592 599 HD1 HIS 73 HD1 HIS 73 16.660 27.713 -10.133 600 HD2 HIS 73 HD2 HIS 73 15.107 29.224 -13.676 601 HE1 HIS 73 HE1 HIS 73 16.554 30.196 -9.826 602 HE2 HIS 73 HE2 HIS 73 15.865 31.089 -12.067 603 H HIS 74 H HIS 74 12.535 26.543 -10.561 604 HA HIS 74 HA HIS 74 10.444 26.789 -12.359 605 HB2 HIS 74 2HB HIS 74 9.256 28.030 -10.616 606 HB3 HIS 74 3HB HIS 74 10.149 26.699 -9.900 607 HD1 HIS 74 HD1 HIS 74 9.314 29.967 -9.071 608 HD2 HIS 74 HD2 HIS 74 12.914 27.899 -9.007 609 HE1 HIS 74 HE1 HIS 74 10.804 31.237 -7.515 610 HE2 HIS 74 HE2 HIS 74 12.993 30.021 -7.565 611 H HIS 75 H HIS 75 9.692 28.383 -13.641 612 HA HIS 75 HA HIS 75 10.872 31.043 -13.753 613 HB2 HIS 75 2HB HIS 75 11.528 30.854 -16.120 614 HB3 HIS 75 3HB HIS 75 12.369 29.612 -15.194 615 HD1 HIS 75 HD1 HIS 75 9.918 30.083 -17.953 616 HD2 HIS 75 HD2 HIS 75 11.462 26.932 -15.717 617 HE1 HIS 75 HE1 HIS 75 9.214 27.997 -19.149 618 HE2 HIS 75 HE2 HIS 75 10.298 26.118 -17.872 619 H HIS 76 H HIS 76 9.709 32.337 -15.501 620 HA HIS 76 HA HIS 76 6.864 31.945 -15.323 621 HB2 HIS 76 2HB HIS 76 6.686 34.063 -16.584 622 HB3 HIS 76 3HB HIS 76 7.766 34.210 -15.213 623 HD1 HIS 76 HD1 HIS 76 10.415 34.172 -15.849 624 HD2 HIS 76 HD2 HIS 76 7.755 34.933 -18.954 625 HE1 HIS 76 HE1 HIS 76 11.784 35.171 -17.693 626 HE2 HIS 76 HE2 HIS 76 10.118 35.820 -19.450 627 H HIS 77 H HIS 77 6.175 30.200 -16.412 628 HA HIS 77 HA HIS 77 6.906 29.628 -19.163 629 HB2 HIS 77 2HB HIS 77 6.496 27.705 -17.740 630 HB3 HIS 77 3HB HIS 77 4.918 28.319 -17.258 631 HD1 HIS 77 HD1 HIS 77 2.952 27.688 -18.684 632 HD2 HIS 77 HD2 HIS 77 6.567 26.744 -20.496 633 HE1 HIS 77 HE1 HIS 77 2.356 26.394 -20.745 634 HE2 HIS 77 HE2 HIS 77 4.562 25.783 -21.789 Start of MODEL 14 1 H1 MET 1 1H MET 1 -0.276 11.656 -3.906 2 H2 MET 1 2H MET 1 -0.569 13.314 -3.792 3 H3 MET 1 3H MET 1 0.892 12.681 -3.231 4 HA MET 1 HA MET 1 -0.043 12.643 -6.034 5 HB2 MET 1 2HB MET 1 1.494 14.437 -6.497 6 HB3 MET 1 3HB MET 1 0.482 14.928 -5.149 7 HG2 MET 1 2HG MET 1 3.342 13.978 -4.992 8 HG3 MET 1 3HG MET 1 2.766 15.632 -4.797 9 HE1 MET 1 3HE MET 1 4.027 14.635 -1.208 10 HE2 MET 1 1HE MET 1 4.196 15.782 -2.536 11 HE3 MET 1 2HE MET 1 4.715 14.108 -2.741 12 H VAL 2 H VAL 2 1.960 11.223 -3.657 13 HA VAL 2 HA VAL 2 3.957 10.166 -5.527 14 HB VAL 2 HB VAL 2 3.533 9.408 -2.583 15 HG11 VAL 2 1HG1 VAL 2 5.947 8.990 -4.396 16 HG12 VAL 2 2HG1 VAL 2 4.830 7.739 -3.847 17 HG13 VAL 2 3HG1 VAL 2 5.854 8.575 -2.681 18 HG21 VAL 2 3HG2 VAL 2 5.428 11.497 -3.717 19 HG22 VAL 2 1HG2 VAL 2 5.353 10.970 -2.032 20 HG23 VAL 2 2HG2 VAL 2 3.984 11.815 -2.754 21 H ASP 3 H ASP 3 3.315 8.512 -6.801 22 HA ASP 3 HA ASP 3 1.103 6.732 -6.068 23 HB2 ASP 3 2HB ASP 3 2.711 6.825 -8.667 24 HB3 ASP 3 3HB ASP 3 1.243 5.895 -8.390 25 H LEU 4 H LEU 4 1.624 5.012 -4.896 26 HA LEU 4 HA LEU 4 4.132 3.509 -5.374 27 HB2 LEU 4 2HB LEU 4 2.233 3.371 -2.982 28 HB3 LEU 4 3HB LEU 4 3.752 2.503 -3.142 29 HG LEU 4 HG LEU 4 3.472 5.526 -2.904 30 HD11 LEU 4 1HD1 LEU 4 4.441 5.272 -0.661 31 HD12 LEU 4 2HD1 LEU 4 4.430 3.516 -0.841 32 HD13 LEU 4 3HD1 LEU 4 2.909 4.411 -0.802 33 HD21 LEU 4 3HD2 LEU 4 5.992 3.834 -2.976 34 HD22 LEU 4 1HD2 LEU 4 5.919 5.572 -2.671 35 HD23 LEU 4 2HD2 LEU 4 5.435 4.933 -4.239 36 H LYS 5 H LYS 5 3.727 1.944 -6.856 37 HA LYS 5 HA LYS 5 1.131 0.544 -6.903 38 HB2 LYS 5 2HB LYS 5 2.291 1.304 -9.076 39 HB3 LYS 5 3HB LYS 5 3.483 0.041 -8.789 40 HG2 LYS 5 2HG LYS 5 1.575 -1.637 -8.768 41 HG3 LYS 5 3HG LYS 5 0.501 -0.325 -9.254 42 HD2 LYS 5 2HD LYS 5 1.075 -1.535 -11.245 43 HD3 LYS 5 3HD LYS 5 1.958 -0.009 -11.306 44 HE2 LYS 5 2HE LYS 5 3.374 -1.892 -12.019 45 HE3 LYS 5 3HE LYS 5 4.007 -1.157 -10.545 46 HZ1 LYS 5 3HZ LYS 5 2.380 -3.650 -10.685 47 HZ2 LYS 5 1HZ LYS 5 3.000 -2.968 -9.270 48 HZ3 LYS 5 2HZ LYS 5 4.050 -3.585 -10.438 49 H ILE 6 H ILE 6 0.937 -1.189 -5.658 50 HA ILE 6 HA ILE 6 3.334 -2.480 -4.531 51 HB ILE 6 HB ILE 6 0.426 -2.642 -3.590 52 HG12 ILE 6 2HG1 ILE 6 1.216 -0.326 -3.341 53 HG13 ILE 6 3HG1 ILE 6 1.065 -1.071 -1.760 54 HG21 ILE 6 1HG2 ILE 6 2.975 -3.532 -2.199 55 HG22 ILE 6 2HG2 ILE 6 1.741 -4.584 -2.897 56 HG23 ILE 6 3HG2 ILE 6 1.351 -3.576 -1.503 57 HD11 ILE 6 3HD1 ILE 6 3.630 -0.582 -3.265 58 HD12 ILE 6 1HD1 ILE 6 3.506 -1.360 -1.686 59 HD13 ILE 6 2HD1 ILE 6 3.030 0.326 -1.879 60 H ASP 7 H ASP 7 3.876 -4.049 -6.016 61 HA ASP 7 HA ASP 7 2.111 -5.877 -7.239 62 HB2 ASP 7 2HB ASP 7 5.063 -6.076 -6.524 63 HB3 ASP 7 3HB ASP 7 4.219 -7.317 -7.445 64 H VAL 8 H VAL 8 0.766 -7.252 -6.195 65 HA VAL 8 HA VAL 8 1.508 -8.238 -3.507 66 HB VAL 8 HB VAL 8 -0.949 -8.545 -3.066 67 HG11 VAL 8 1HG1 VAL 8 -0.115 -5.675 -3.647 68 HG12 VAL 8 2HG1 VAL 8 0.233 -6.586 -2.178 69 HG13 VAL 8 3HG1 VAL 8 -1.433 -6.174 -2.578 70 HG21 VAL 8 3HG2 VAL 8 -2.616 -7.368 -4.467 71 HG22 VAL 8 1HG2 VAL 8 -1.786 -8.632 -5.378 72 HG23 VAL 8 2HG2 VAL 8 -1.350 -6.940 -5.623 73 H SER 9 H SER 9 1.212 -10.356 -3.048 74 HA SER 9 HA SER 9 1.399 -12.192 -5.315 75 HB2 SER 9 2HB SER 9 1.976 -12.645 -2.348 76 HB3 SER 9 3HB SER 9 2.475 -13.679 -3.691 77 HG SER 9 HG SER 9 4.097 -12.171 -2.871 78 H ASP 10 H ASP 10 -1.019 -11.210 -3.100 79 HA ASP 10 HA ASP 10 -2.755 -13.447 -3.711 80 HB2 ASP 10 2HB ASP 10 -1.314 -14.326 -1.834 81 HB3 ASP 10 3HB ASP 10 -1.894 -13.019 -0.816 82 H ASP 11 H ASP 11 -4.917 -13.211 -2.549 83 HA ASP 11 HA ASP 11 -5.866 -10.482 -2.931 84 HB2 ASP 11 2HB ASP 11 -7.383 -13.061 -2.316 85 HB3 ASP 11 3HB ASP 11 -8.155 -11.505 -2.615 86 H GLU 12 H GLU 12 -5.874 -12.918 -0.302 87 HA GLU 12 HA GLU 12 -7.110 -11.390 1.728 88 HB2 GLU 12 2HB GLU 12 -6.871 -13.808 1.935 89 HB3 GLU 12 3HB GLU 12 -5.118 -13.697 1.865 90 HG2 GLU 12 2HG GLU 12 -5.212 -12.413 4.059 91 HG3 GLU 12 3HG GLU 12 -6.930 -12.797 4.130 92 H GLU 13 H GLU 13 -3.750 -11.825 0.781 93 HA GLU 13 HA GLU 13 -2.438 -10.248 2.723 94 HB2 GLU 13 2HB GLU 13 -1.389 -11.953 1.242 95 HB3 GLU 13 3HB GLU 13 -1.688 -10.919 -0.147 96 HG2 GLU 13 2HG GLU 13 -0.203 -9.172 1.155 97 HG3 GLU 13 3HG GLU 13 0.337 -10.588 2.064 98 H ALA 14 H ALA 14 -3.888 -9.467 -0.421 99 HA ALA 14 HA ALA 14 -3.003 -6.759 -0.592 100 HB1 ALA 14 3HB ALA 14 -3.710 -8.016 -2.573 101 HB2 ALA 14 1HB ALA 14 -4.647 -6.538 -2.402 102 HB3 ALA 14 2HB ALA 14 -5.364 -8.093 -1.962 103 H GLU 15 H GLU 15 -6.045 -8.246 0.566 104 HA GLU 15 HA GLU 15 -7.449 -6.010 1.467 105 HB2 GLU 15 2HB GLU 15 -7.338 -8.788 2.727 106 HB3 GLU 15 3HB GLU 15 -8.585 -7.584 3.036 107 HG2 GLU 15 2HG GLU 15 -9.324 -7.694 0.717 108 HG3 GLU 15 3HG GLU 15 -8.026 -8.812 0.325 109 H LYS 16 H LYS 16 -4.836 -7.816 2.981 110 HA LYS 16 HA LYS 16 -4.806 -6.508 5.498 111 HB2 LYS 16 2HB LYS 16 -2.914 -8.264 3.962 112 HB3 LYS 16 3HB LYS 16 -2.226 -7.321 5.264 113 HG2 LYS 16 2HG LYS 16 -4.621 -8.703 6.216 114 HG3 LYS 16 3HG LYS 16 -3.519 -9.845 5.448 115 HD2 LYS 16 2HD LYS 16 -3.057 -9.670 7.868 116 HD3 LYS 16 3HD LYS 16 -1.683 -9.105 6.915 117 HE2 LYS 16 2HE LYS 16 -2.354 -6.765 7.315 118 HE3 LYS 16 3HE LYS 16 -3.748 -7.314 8.249 119 HZ1 LYS 16 3HZ LYS 16 -2.223 -8.333 9.838 120 HZ2 LYS 16 1HZ LYS 16 -1.937 -6.672 9.693 121 HZ3 LYS 16 2HZ LYS 16 -0.898 -7.778 8.954 122 H ILE 17 H ILE 17 -3.120 -5.828 2.415 123 HA ILE 17 HA ILE 17 -1.528 -3.664 3.252 124 HB ILE 17 HB ILE 17 -2.839 -4.068 0.511 125 HG12 ILE 17 2HG1 ILE 17 -1.442 -5.980 1.036 126 HG13 ILE 17 3HG1 ILE 17 -0.586 -5.001 -0.146 127 HG21 ILE 17 1HG2 ILE 17 -1.048 -2.598 -0.386 128 HG22 ILE 17 2HG2 ILE 17 -0.508 -2.266 1.260 129 HG23 ILE 17 3HG2 ILE 17 -2.109 -1.744 0.739 130 HD11 ILE 17 3HD1 ILE 17 0.891 -5.867 1.581 131 HD12 ILE 17 1HD1 ILE 17 -0.040 -5.045 2.822 132 HD13 ILE 17 2HD1 ILE 17 0.846 -4.109 1.616 133 H ILE 18 H ILE 18 -4.779 -3.700 1.804 134 HA ILE 18 HA ILE 18 -5.396 -0.969 2.033 135 HB ILE 18 HB ILE 18 -7.299 -3.363 1.955 136 HG12 ILE 18 2HG1 ILE 18 -6.232 -1.656 -0.358 137 HG13 ILE 18 3HG1 ILE 18 -5.694 -3.286 0.020 138 HG21 ILE 18 1HG2 ILE 18 -7.866 -0.446 1.299 139 HG22 ILE 18 2HG2 ILE 18 -8.468 -1.328 2.703 140 HG23 ILE 18 3HG2 ILE 18 -8.996 -1.785 1.084 141 HD11 ILE 18 3HD1 ILE 18 -7.932 -4.137 -0.485 142 HD12 ILE 18 1HD1 ILE 18 -7.213 -3.287 -1.853 143 HD13 ILE 18 2HD1 ILE 18 -8.460 -2.500 -0.886 144 H ARG 19 H ARG 19 -5.700 -3.636 4.387 145 HA ARG 19 HA ARG 19 -7.419 -2.307 6.229 146 HB2 ARG 19 2HB ARG 19 -7.116 -4.761 6.324 147 HB3 ARG 19 3HB ARG 19 -5.431 -4.556 6.785 148 HG2 ARG 19 2HG ARG 19 -6.179 -3.436 8.887 149 HG3 ARG 19 3HG ARG 19 -7.854 -3.736 8.432 150 HD2 ARG 19 2HD ARG 19 -7.553 -6.125 8.639 151 HD3 ARG 19 3HD ARG 19 -5.803 -5.944 8.825 152 HE ARG 19 HE ARG 19 -6.921 -4.482 10.889 153 HH11 ARG 19 1HH1 ARG 19 -7.057 -7.870 9.927 154 HH12 ARG 19 2HH1 ARG 19 -7.279 -8.442 11.547 155 HH21 ARG 19 1HH2 ARG 19 -7.161 -5.269 13.019 156 HH22 ARG 19 2HH2 ARG 19 -7.341 -6.975 13.295 157 H GLU 20 H GLU 20 -3.864 -2.594 6.054 158 HA GLU 20 HA GLU 20 -3.355 -1.238 8.510 159 HB2 GLU 20 2HB GLU 20 -1.431 -1.621 6.173 160 HB3 GLU 20 3HB GLU 20 -0.992 -1.220 7.828 161 HG2 GLU 20 2HG GLU 20 -2.092 -3.834 6.787 162 HG3 GLU 20 3HG GLU 20 -0.508 -3.531 7.487 163 H ILE 21 H ILE 21 -3.301 -0.190 5.089 164 HA ILE 21 HA ILE 21 -2.260 2.404 5.625 165 HB ILE 21 HB ILE 21 -3.816 1.527 3.150 166 HG12 ILE 21 2HG1 ILE 21 -1.853 0.071 3.465 167 HG13 ILE 21 3HG1 ILE 21 -1.601 1.128 2.087 168 HG21 ILE 21 1HG2 ILE 21 -3.677 3.968 3.309 169 HG22 ILE 21 2HG2 ILE 21 -2.639 3.390 2.009 170 HG23 ILE 21 3HG2 ILE 21 -1.928 3.879 3.546 171 HD11 ILE 21 3HD1 ILE 21 -0.123 2.534 3.462 172 HD12 ILE 21 1HD1 ILE 21 0.423 0.861 3.374 173 HD13 ILE 21 2HD1 ILE 21 -0.379 1.446 4.829 174 H ARG 22 H ARG 22 -5.618 1.250 5.004 175 HA ARG 22 HA ARG 22 -6.833 3.815 5.215 176 HB2 ARG 22 2HB ARG 22 -8.024 1.024 5.458 177 HB3 ARG 22 3HB ARG 22 -8.989 2.495 5.411 178 HG2 ARG 22 2HG ARG 22 -7.156 1.528 3.192 179 HG3 ARG 22 3HG ARG 22 -8.910 1.355 3.229 180 HD2 ARG 22 2HD ARG 22 -7.397 3.988 3.157 181 HD3 ARG 22 3HD ARG 22 -8.234 3.226 1.798 182 HE ARG 22 HE ARG 22 -10.117 3.449 3.791 183 HH11 ARG 22 1HH1 ARG 22 -8.166 5.742 1.967 184 HH12 ARG 22 2HH1 ARG 22 -9.341 7.011 2.092 185 HH21 ARG 22 1HH2 ARG 22 -11.613 5.113 3.959 186 HH22 ARG 22 2HH2 ARG 22 -11.299 6.656 3.225 187 H GLU 23 H GLU 23 -5.993 1.424 7.669 188 HA GLU 23 HA GLU 23 -7.672 2.344 9.775 189 HB2 GLU 23 2HB GLU 23 -6.530 0.118 9.770 190 HB3 GLU 23 3HB GLU 23 -4.976 0.920 9.958 191 HG2 GLU 23 2HG GLU 23 -5.557 0.110 12.102 192 HG3 GLU 23 3HG GLU 23 -5.848 1.844 12.162 193 H GLN 24 H GLN 24 -4.404 3.127 8.788 194 HA GLN 24 HA GLN 24 -3.868 4.887 11.067 195 HB2 GLN 24 2HB GLN 24 -2.094 4.226 8.671 196 HB3 GLN 24 3HB GLN 24 -1.582 4.989 10.175 197 HG2 GLN 24 2HG GLN 24 -1.927 2.943 11.418 198 HG3 GLN 24 3HG GLN 24 -2.727 2.186 10.041 199 HE21 GLN 24 1HE2 GLN 24 -1.319 0.446 9.923 200 HE22 GLN 24 2HE2 GLN 24 0.330 0.591 9.424 201 H TRP 25 H TRP 25 -4.270 5.034 7.582 202 HA TRP 25 HA TRP 25 -4.641 7.977 7.655 203 HB2 TRP 25 2HB TRP 25 -3.630 6.273 5.332 204 HB3 TRP 25 3HB TRP 25 -3.819 8.023 5.330 205 HD1 TRP 25 HD1 TRP 25 -2.013 9.425 6.854 206 HE1 TRP 25 HE1 TRP 25 0.394 8.846 7.541 207 HE3 TRP 25 HE3 TRP 25 -2.069 4.411 5.884 208 HZ2 TRP 25 HZ2 TRP 25 2.041 6.573 7.670 209 HZ3 TRP 25 HZ3 TRP 25 -0.035 3.096 6.311 210 HH2 TRP 25 HH2 TRP 25 1.986 4.160 7.186 211 HA PRO 26 HA PRO 26 -8.775 6.306 6.305 212 HB2 PRO 26 2HB PRO 26 -10.286 8.294 7.404 213 HB3 PRO 26 3HB PRO 26 -9.629 6.964 8.380 214 HG2 PRO 26 2HG PRO 26 -8.551 9.748 8.043 215 HG3 PRO 26 3HG PRO 26 -8.779 8.808 9.536 216 HD2 PRO 26 2HD PRO 26 -6.361 9.004 8.305 217 HD3 PRO 26 3HD PRO 26 -6.854 7.546 9.197 218 H LYS 27 H LYS 27 -7.182 9.386 5.760 219 HA LYS 27 HA LYS 27 -8.902 10.018 3.452 220 HB2 LYS 27 2HB LYS 27 -6.908 11.759 4.967 221 HB3 LYS 27 3HB LYS 27 -7.943 12.298 3.647 222 HG2 LYS 27 2HG LYS 27 -9.949 11.762 5.036 223 HG3 LYS 27 3HG LYS 27 -8.883 11.306 6.362 224 HD2 LYS 27 2HD LYS 27 -9.080 14.077 5.123 225 HD3 LYS 27 3HD LYS 27 -9.810 13.585 6.650 226 HE2 LYS 27 2HE LYS 27 -7.508 13.111 7.534 227 HE3 LYS 27 3HE LYS 27 -6.842 13.757 6.030 228 HZ1 LYS 27 3HZ LYS 27 -7.861 15.893 6.519 229 HZ2 LYS 27 1HZ LYS 27 -6.887 15.414 7.820 230 HZ3 LYS 27 2HZ LYS 27 -8.568 15.270 7.922 231 H ALA 28 H ALA 28 -7.002 7.879 3.183 232 HA ALA 28 HA ALA 28 -4.811 9.010 1.526 233 HB1 ALA 28 3HB ALA 28 -3.844 7.794 3.413 234 HB2 ALA 28 1HB ALA 28 -3.597 6.862 1.937 235 HB3 ALA 28 2HB ALA 28 -4.858 6.392 3.084 236 H THR 29 H THR 29 -5.529 8.791 -0.624 237 HA THR 29 HA THR 29 -7.581 7.070 -1.389 238 HB THR 29 HB THR 29 -5.427 8.276 -3.176 239 HG1 THR 29 HG1 THR 29 -6.787 10.115 -3.227 240 HG21 THR 29 3HG2 THR 29 -7.215 8.339 -4.899 241 HG22 THR 29 1HG2 THR 29 -8.334 7.560 -3.777 242 HG23 THR 29 2HG2 THR 29 -6.918 6.684 -4.363 243 H VAL 30 H VAL 30 -7.303 4.927 -0.984 244 HA VAL 30 HA VAL 30 -5.092 3.446 -2.273 245 HB VAL 30 HB VAL 30 -7.274 2.376 -0.395 246 HG11 VAL 30 1HG1 VAL 30 -5.893 0.340 -0.237 247 HG12 VAL 30 2HG1 VAL 30 -4.729 1.022 -1.376 248 HG13 VAL 30 3HG1 VAL 30 -6.369 0.647 -1.910 249 HG21 VAL 30 3HG2 VAL 30 -5.540 2.280 1.354 250 HG22 VAL 30 1HG2 VAL 30 -5.795 3.936 0.801 251 HG23 VAL 30 2HG2 VAL 30 -4.379 3.033 0.258 252 H THR 31 H THR 31 -5.504 2.175 -4.001 253 HA THR 31 HA THR 31 -8.237 1.896 -5.077 254 HB THR 31 HB THR 31 -5.692 2.588 -6.642 255 HG1 THR 31 HG1 THR 31 -6.374 4.507 -5.987 256 HG21 THR 31 3HG2 THR 31 -7.115 2.681 -8.643 257 HG22 THR 31 1HG2 THR 31 -8.516 2.166 -7.701 258 HG23 THR 31 2HG2 THR 31 -7.155 1.064 -7.940 259 H ARG 32 H ARG 32 -8.665 -0.205 -5.547 260 HA ARG 32 HA ARG 32 -6.500 -2.196 -5.408 261 HB2 ARG 32 2HB ARG 32 -8.370 -2.520 -3.845 262 HB3 ARG 32 3HB ARG 32 -9.530 -2.414 -5.162 263 HG2 ARG 32 2HG ARG 32 -8.627 -4.524 -6.114 264 HG3 ARG 32 3HG ARG 32 -7.501 -4.638 -4.753 265 HD2 ARG 32 2HD ARG 32 -9.507 -6.058 -4.425 266 HD3 ARG 32 3HD ARG 32 -9.379 -4.815 -3.179 267 HE ARG 32 HE ARG 32 -11.242 -4.721 -5.493 268 HH11 ARG 32 1HH1 ARG 32 -10.531 -3.898 -2.140 269 HH12 ARG 32 2HH1 ARG 32 -12.078 -3.162 -1.874 270 HH21 ARG 32 1HH2 ARG 32 -13.260 -3.743 -5.123 271 HH22 ARG 32 2HH2 ARG 32 -13.624 -3.075 -3.563 272 H THR 33 H THR 33 -5.957 -3.286 -7.213 273 HA THR 33 HA THR 33 -7.729 -3.370 -9.560 274 HB THR 33 HB THR 33 -5.770 -3.093 -11.103 275 HG1 THR 33 HG1 THR 33 -4.257 -3.580 -9.153 276 HG21 THR 33 3HG2 THR 33 -7.102 -1.065 -10.616 277 HG22 THR 33 1HG2 THR 33 -5.402 -0.661 -10.881 278 HG23 THR 33 2HG2 THR 33 -6.054 -0.701 -9.243 279 H ASN 34 H ASN 34 -7.603 -5.509 -10.594 280 HA ASN 34 HA ASN 34 -6.580 -7.639 -9.099 281 HB2 ASN 34 2HB ASN 34 -7.237 -7.492 -12.076 282 HB3 ASN 34 3HB ASN 34 -6.912 -8.990 -11.213 283 HD21 ASN 34 1HD2 ASN 34 -9.196 -6.429 -11.728 284 HD22 ASN 34 2HD2 ASN 34 -10.528 -7.172 -10.916 285 H GLY 35 H GLY 35 -4.471 -7.653 -8.556 286 HA2 GLY 35 2HA GLY 35 -2.404 -8.780 -9.479 287 HA3 GLY 35 3HA GLY 35 -2.382 -7.487 -10.673 288 H ASP 36 H ASP 36 -3.197 -5.370 -8.924 289 HA ASP 36 HA ASP 36 -0.865 -5.073 -7.138 290 HB2 ASP 36 2HB ASP 36 -1.582 -3.117 -9.373 291 HB3 ASP 36 3HB ASP 36 -0.345 -2.846 -8.152 292 H ILE 37 H ILE 37 -1.065 -3.471 -5.548 293 HA ILE 37 HA ILE 37 -3.687 -2.106 -5.256 294 HB ILE 37 HB ILE 37 -1.517 -2.608 -3.153 295 HG12 ILE 37 2HG1 ILE 37 -2.796 -4.657 -3.745 296 HG13 ILE 37 3HG1 ILE 37 -3.127 -4.153 -2.096 297 HG21 ILE 37 1HG2 ILE 37 -4.222 -1.241 -2.815 298 HG22 ILE 37 2HG2 ILE 37 -2.637 -0.472 -2.704 299 HG23 ILE 37 3HG2 ILE 37 -3.120 -1.669 -1.504 300 HD11 ILE 37 3HD1 ILE 37 -5.282 -3.207 -2.837 301 HD12 ILE 37 1HD1 ILE 37 -5.144 -4.928 -3.203 302 HD13 ILE 37 2HD1 ILE 37 -4.933 -3.736 -4.485 303 H LYS 38 H LYS 38 -3.587 -0.150 -6.208 304 HA LYS 38 HA LYS 38 -1.140 1.424 -6.306 305 HB2 LYS 38 2HB LYS 38 -2.621 1.410 -8.268 306 HB3 LYS 38 3HB LYS 38 -3.971 2.003 -7.307 307 HG2 LYS 38 2HG LYS 38 -2.795 4.136 -6.939 308 HG3 LYS 38 3HG LYS 38 -1.403 3.551 -7.846 309 HD2 LYS 38 2HD LYS 38 -4.171 3.800 -9.081 310 HD3 LYS 38 3HD LYS 38 -3.021 5.134 -9.068 311 HE2 LYS 38 2HE LYS 38 -2.889 4.037 -11.209 312 HE3 LYS 38 3HE LYS 38 -1.410 3.689 -10.324 313 HZ1 LYS 38 3HZ LYS 38 -2.211 1.497 -9.835 314 HZ2 LYS 38 1HZ LYS 38 -2.325 1.756 -11.499 315 HZ3 LYS 38 2HZ LYS 38 -3.712 1.825 -10.537 316 H LEU 39 H LEU 39 -0.765 3.232 -5.111 317 HA LEU 39 HA LEU 39 -2.714 4.097 -3.071 318 HB2 LEU 39 2HB LEU 39 -1.279 2.407 -2.016 319 HB3 LEU 39 3HB LEU 39 0.168 3.219 -2.587 320 HG LEU 39 HG LEU 39 -0.191 5.077 -1.041 321 HD11 LEU 39 1HD1 LEU 39 -2.639 5.211 -1.059 322 HD12 LEU 39 2HD1 LEU 39 -2.028 5.118 0.591 323 HD13 LEU 39 3HD1 LEU 39 -2.747 3.693 -0.163 324 HD21 LEU 39 3HD2 LEU 39 1.020 3.120 -0.209 325 HD22 LEU 39 1HD2 LEU 39 -0.492 2.385 0.334 326 HD23 LEU 39 2HD2 LEU 39 0.097 3.866 1.092 327 H ASP 40 H ASP 40 -2.521 6.264 -2.512 328 HA ASP 40 HA ASP 40 -0.475 7.873 -3.922 329 HB2 ASP 40 2HB ASP 40 -2.780 8.081 -4.982 330 HB3 ASP 40 3HB ASP 40 -3.366 8.764 -3.465 331 H ALA 41 H ALA 41 0.833 8.414 -2.352 332 HA ALA 41 HA ALA 41 -0.008 9.114 0.340 333 HB1 ALA 41 3HB ALA 41 2.722 9.234 -0.979 334 HB2 ALA 41 1HB ALA 41 2.095 7.910 0.005 335 HB3 ALA 41 2HB ALA 41 2.402 9.483 0.739 336 H GLN 42 H GLN 42 -0.455 11.108 1.019 337 HA GLN 42 HA GLN 42 -0.714 13.253 -0.873 338 HB2 GLN 42 2HB GLN 42 -1.181 13.342 2.133 339 HB3 GLN 42 3HB GLN 42 -1.781 14.492 0.947 340 HG2 GLN 42 2HG GLN 42 -2.671 11.632 1.378 341 HG3 GLN 42 3HG GLN 42 -3.617 13.103 1.576 342 HE21 GLN 42 1HE2 GLN 42 -2.476 10.728 -0.661 343 HE22 GLN 42 2HE2 GLN 42 -3.355 11.292 -2.038 344 H THR 43 H THR 43 1.714 12.347 1.421 345 HA THR 43 HA THR 43 3.413 14.472 0.396 346 HB THR 43 HB THR 43 2.535 15.477 2.479 347 HG1 THR 43 HG1 THR 43 5.250 14.841 2.982 348 HG21 THR 43 3HG2 THR 43 3.877 13.191 3.963 349 HG22 THR 43 1HG2 THR 43 2.134 13.448 3.824 350 HG23 THR 43 2HG2 THR 43 3.130 14.615 4.692 351 H GLU 44 H GLU 44 5.718 14.087 0.885 352 HA GLU 44 HA GLU 44 6.338 11.501 -0.099 353 HB2 GLU 44 2HB GLU 44 8.624 12.277 -0.334 354 HB3 GLU 44 3HB GLU 44 7.538 13.569 -0.795 355 HG2 GLU 44 2HG GLU 44 9.088 13.381 1.796 356 HG3 GLU 44 3HG GLU 44 9.460 14.429 0.432 357 H LYS 45 H LYS 45 6.821 12.970 3.081 358 HA LYS 45 HA LYS 45 8.446 10.865 4.183 359 HB2 LYS 45 2HB LYS 45 8.578 13.205 4.952 360 HB3 LYS 45 3HB LYS 45 6.916 13.133 5.520 361 HG2 LYS 45 2HG LYS 45 7.525 11.549 7.266 362 HG3 LYS 45 3HG LYS 45 9.163 11.415 6.619 363 HD2 LYS 45 2HD LYS 45 9.076 12.875 8.631 364 HD3 LYS 45 3HD LYS 45 9.636 13.747 7.204 365 HE2 LYS 45 2HE LYS 45 7.326 14.681 6.923 366 HE3 LYS 45 3HE LYS 45 6.852 13.872 8.417 367 HZ1 LYS 45 3HZ LYS 45 7.412 16.206 8.780 368 HZ2 LYS 45 1HZ LYS 45 8.981 15.942 8.200 369 HZ3 LYS 45 2HZ LYS 45 8.466 15.186 9.622 370 H GLU 46 H GLU 46 5.103 11.203 3.596 371 HA GLU 46 HA GLU 46 4.150 9.460 5.732 372 HB2 GLU 46 2HB GLU 46 2.740 11.328 5.105 373 HB3 GLU 46 3HB GLU 46 2.795 10.892 3.404 374 HG2 GLU 46 2HG GLU 46 1.487 8.861 3.898 375 HG3 GLU 46 3HG GLU 46 1.420 9.311 5.601 376 H ALA 47 H ALA 47 4.728 9.505 2.210 377 HA ALA 47 HA ALA 47 3.884 7.013 1.403 378 HB1 ALA 47 3HB ALA 47 4.762 8.730 -0.117 379 HB2 ALA 47 1HB ALA 47 5.540 7.173 -0.396 380 HB3 ALA 47 2HB ALA 47 6.396 8.445 0.483 381 H GLU 48 H GLU 48 6.879 7.838 3.055 382 HA GLU 48 HA GLU 48 8.234 5.372 2.771 383 HB2 GLU 48 2HB GLU 48 8.574 7.481 4.948 384 HB3 GLU 48 3HB GLU 48 9.755 6.263 4.479 385 HG2 GLU 48 2HG GLU 48 8.799 8.601 2.814 386 HG3 GLU 48 3HG GLU 48 10.387 8.415 3.554 387 H LYS 49 H LYS 49 5.989 6.600 5.178 388 HA LYS 49 HA LYS 49 6.181 4.428 7.063 389 HB2 LYS 49 2HB LYS 49 3.977 6.510 6.685 390 HB3 LYS 49 3HB LYS 49 4.254 5.544 8.131 391 HG2 LYS 49 2HG LYS 49 6.391 6.692 8.515 392 HG3 LYS 49 3HG LYS 49 6.166 7.633 7.036 393 HD2 LYS 49 2HD LYS 49 4.143 8.677 8.005 394 HD3 LYS 49 3HD LYS 49 4.345 7.720 9.475 395 HE2 LYS 49 2HE LYS 49 6.561 8.839 9.832 396 HE3 LYS 49 3HE LYS 49 6.225 9.868 8.436 397 HZ1 LYS 49 3HZ LYS 49 5.664 10.949 10.531 398 HZ2 LYS 49 1HZ LYS 49 4.565 9.721 10.901 399 HZ3 LYS 49 2HZ LYS 49 4.283 10.741 9.580 400 H MET 50 H MET 50 3.990 5.408 4.594 401 HA MET 50 HA MET 50 1.955 3.493 4.616 402 HB2 MET 50 2HB MET 50 3.120 5.087 2.311 403 HB3 MET 50 3HB MET 50 1.813 3.942 2.045 404 HG2 MET 50 2HG MET 50 0.436 5.181 3.703 405 HG3 MET 50 3HG MET 50 1.733 6.378 3.825 406 HE1 MET 50 3HE MET 50 -1.472 6.703 2.873 407 HE2 MET 50 1HE MET 50 -1.261 7.984 1.679 408 HE3 MET 50 2HE MET 50 -0.411 8.069 3.223 409 H GLU 51 H GLU 51 4.739 3.397 2.372 410 HA GLU 51 HA GLU 51 4.427 0.778 1.474 411 HB2 GLU 51 2HB GLU 51 6.686 0.967 0.603 412 HB3 GLU 51 3HB GLU 51 5.848 2.490 0.379 413 HG2 GLU 51 2HG GLU 51 7.073 3.514 2.171 414 HG3 GLU 51 3HG GLU 51 7.773 1.971 2.662 415 H LYS 52 H LYS 52 5.864 1.951 4.431 416 HA LYS 52 HA LYS 52 7.340 -0.406 5.144 417 HB2 LYS 52 2HB LYS 52 7.887 1.817 6.050 418 HB3 LYS 52 3HB LYS 52 6.317 1.914 6.838 419 HG2 LYS 52 2HG LYS 52 6.916 0.148 8.388 420 HG3 LYS 52 3HG LYS 52 8.411 -0.179 7.502 421 HD2 LYS 52 2HD LYS 52 8.854 1.128 9.562 422 HD3 LYS 52 3HD LYS 52 9.297 2.040 8.117 423 HE2 LYS 52 2HE LYS 52 7.105 3.251 8.272 424 HE3 LYS 52 3HE LYS 52 6.782 2.405 9.787 425 HZ1 LYS 52 3HZ LYS 52 9.081 4.223 9.275 426 HZ2 LYS 52 1HZ LYS 52 8.766 3.422 10.734 427 HZ3 LYS 52 2HZ LYS 52 7.699 4.608 10.173 428 H ALA 53 H ALA 53 4.067 0.831 5.910 429 HA ALA 53 HA ALA 53 3.193 -1.229 7.634 430 HB1 ALA 53 3HB ALA 53 1.515 0.394 5.675 431 HB2 ALA 53 1HB ALA 53 1.946 0.898 7.310 432 HB3 ALA 53 2HB ALA 53 0.905 -0.504 7.068 433 H VAL 54 H VAL 54 2.983 -0.842 4.122 434 HA VAL 54 HA VAL 54 1.865 -3.236 3.293 435 HB VAL 54 HB VAL 54 4.027 -1.516 2.004 436 HG11 VAL 54 1HG1 VAL 54 2.401 -3.702 0.673 437 HG12 VAL 54 2HG1 VAL 54 4.140 -3.720 0.974 438 HG13 VAL 54 3HG1 VAL 54 3.452 -2.554 -0.156 439 HG21 VAL 54 3HG2 VAL 54 2.167 -0.579 0.662 440 HG22 VAL 54 1HG2 VAL 54 1.926 -0.321 2.391 441 HG23 VAL 54 2HG2 VAL 54 1.021 -1.582 1.554 442 H LYS 55 H LYS 55 5.363 -2.530 3.680 443 HA LYS 55 HA LYS 55 6.335 -5.097 3.125 444 HB2 LYS 55 2HB LYS 55 7.589 -2.836 4.727 445 HB3 LYS 55 3HB LYS 55 8.454 -4.314 4.313 446 HG2 LYS 55 2HG LYS 55 8.244 -3.824 1.930 447 HG3 LYS 55 3HG LYS 55 7.261 -2.400 2.284 448 HD2 LYS 55 2HD LYS 55 9.196 -1.397 3.503 449 HD3 LYS 55 3HD LYS 55 10.176 -2.799 3.065 450 HE2 LYS 55 2HE LYS 55 8.940 -0.801 1.142 451 HE3 LYS 55 3HE LYS 55 10.643 -0.916 1.576 452 HZ1 LYS 55 3HZ LYS 55 9.086 -2.999 0.143 453 HZ2 LYS 55 1HZ LYS 55 10.719 -3.113 0.564 454 HZ3 LYS 55 2HZ LYS 55 10.209 -1.951 -0.553 455 H LYS 56 H LYS 56 5.057 -3.837 6.161 456 HA LYS 56 HA LYS 56 5.987 -5.977 7.831 457 HB2 LYS 56 2HB LYS 56 3.661 -4.038 8.204 458 HB3 LYS 56 3HB LYS 56 4.185 -5.183 9.431 459 HG2 LYS 56 2HG LYS 56 5.808 -2.871 8.323 460 HG3 LYS 56 3HG LYS 56 5.054 -2.952 9.912 461 HD2 LYS 56 2HD LYS 56 7.324 -4.729 8.929 462 HD3 LYS 56 3HD LYS 56 7.496 -3.359 10.024 463 HE2 LYS 56 2HE LYS 56 5.921 -5.890 10.611 464 HE3 LYS 56 3HE LYS 56 7.527 -5.518 11.231 465 HZ1 LYS 56 3HZ LYS 56 5.048 -3.984 11.803 466 HZ2 LYS 56 1HZ LYS 56 6.594 -3.605 12.380 467 HZ3 LYS 56 2HZ LYS 56 5.839 -5.038 12.862 468 H VAL 57 H VAL 57 3.317 -5.644 5.611 469 HA VAL 57 HA VAL 57 1.978 -8.106 6.429 470 HB VAL 57 HB VAL 57 1.531 -6.267 4.027 471 HG11 VAL 57 1HG1 VAL 57 -0.157 -8.632 4.924 472 HG12 VAL 57 2HG1 VAL 57 0.815 -8.535 3.453 473 HG13 VAL 57 3HG1 VAL 57 -0.582 -7.481 3.652 474 HG21 VAL 57 3HG2 VAL 57 0.956 -5.191 6.151 475 HG22 VAL 57 1HG2 VAL 57 -0.066 -6.558 6.604 476 HG23 VAL 57 2HG2 VAL 57 -0.508 -5.537 5.231 477 H LYS 58 H LYS 58 4.379 -7.055 4.141 478 HA LYS 58 HA LYS 58 4.826 -9.663 3.043 479 HB2 LYS 58 2HB LYS 58 4.386 -8.974 0.629 480 HB3 LYS 58 3HB LYS 58 2.954 -9.207 1.621 481 HG2 LYS 58 2HG LYS 58 2.775 -6.741 1.909 482 HG3 LYS 58 3HG LYS 58 4.168 -6.537 0.852 483 HD2 LYS 58 2HD LYS 58 1.544 -7.834 0.024 484 HD3 LYS 58 3HD LYS 58 1.967 -6.151 -0.278 485 HE2 LYS 58 2HE LYS 58 2.422 -7.231 -2.306 486 HE3 LYS 58 3HE LYS 58 4.005 -7.074 -1.556 487 HZ1 LYS 58 3HZ LYS 58 3.619 -9.256 -2.573 488 HZ2 LYS 58 1HZ LYS 58 2.340 -9.534 -1.519 489 HZ3 LYS 58 2HZ LYS 58 3.906 -9.388 -0.915 490 HA PRO 59 HA PRO 59 8.676 -7.153 3.272 491 HB2 PRO 59 2HB PRO 59 10.401 -9.227 3.643 492 HB3 PRO 59 3HB PRO 59 9.331 -8.661 4.942 493 HG2 PRO 59 2HG PRO 59 8.941 -10.995 3.084 494 HG3 PRO 59 3HG PRO 59 8.766 -10.932 4.855 495 HD2 PRO 59 2HD PRO 59 6.626 -10.746 3.190 496 HD3 PRO 59 3HD PRO 59 6.685 -9.889 4.748 497 H ASN 60 H ASN 60 7.533 -9.310 0.953 498 HA ASN 60 HA ASN 60 9.818 -9.177 -0.885 499 HB2 ASN 60 2HB ASN 60 7.153 -10.662 -1.069 500 HB3 ASN 60 3HB ASN 60 8.490 -10.826 -2.207 501 HD21 ASN 60 1HD2 ASN 60 10.339 -11.984 -1.560 502 HD22 ASN 60 2HD2 ASN 60 10.348 -13.005 -0.169 503 H ALA 61 H ALA 61 7.428 -7.096 -0.137 504 HA ALA 61 HA ALA 61 5.899 -6.642 -2.426 505 HB1 ALA 61 3HB ALA 61 6.730 -4.623 -0.303 506 HB2 ALA 61 1HB ALA 61 5.346 -5.714 -0.210 507 HB3 ALA 61 2HB ALA 61 5.382 -4.442 -1.429 508 H THR 62 H THR 62 6.731 -6.253 -4.424 509 HA THR 62 HA THR 62 8.930 -4.422 -4.911 510 HB THR 62 HB THR 62 6.986 -5.788 -6.817 511 HG1 THR 62 HG1 THR 62 9.736 -6.332 -6.267 512 HG21 THR 62 3HG2 THR 62 9.500 -4.203 -7.475 513 HG22 THR 62 1HG2 THR 62 7.843 -3.739 -7.877 514 HG23 THR 62 2HG2 THR 62 8.568 -5.159 -8.627 515 H ILE 63 H ILE 63 8.528 -2.364 -4.425 516 HA ILE 63 HA ILE 63 5.872 -1.154 -4.841 517 HB ILE 63 HB ILE 63 8.221 -0.330 -3.054 518 HG12 ILE 63 2HG1 ILE 63 5.544 -1.601 -2.318 519 HG13 ILE 63 3HG1 ILE 63 7.072 -2.460 -2.394 520 HG21 ILE 63 1HG2 ILE 63 5.425 0.879 -3.186 521 HG22 ILE 63 2HG2 ILE 63 6.910 1.647 -3.755 522 HG23 ILE 63 3HG2 ILE 63 6.690 1.323 -2.034 523 HD11 ILE 63 3HD1 ILE 63 6.571 -2.054 -0.138 524 HD12 ILE 63 1HD1 ILE 63 6.242 -0.350 -0.440 525 HD13 ILE 63 2HD1 ILE 63 7.889 -0.966 -0.571 526 H ARG 64 H ARG 64 5.676 0.290 -6.431 527 HA ARG 64 HA ARG 64 8.076 1.255 -7.874 528 HB2 ARG 64 2HB ARG 64 5.184 1.124 -8.850 529 HB3 ARG 64 3HB ARG 64 6.583 1.586 -9.809 530 HG2 ARG 64 2HG ARG 64 6.040 -1.170 -8.656 531 HG3 ARG 64 3HG ARG 64 5.868 -0.696 -10.343 532 HD2 ARG 64 2HD ARG 64 8.339 -0.213 -10.389 533 HD3 ARG 64 3HD ARG 64 8.449 -0.862 -8.752 534 HE ARG 64 HE ARG 64 7.249 -2.856 -10.170 535 HH11 ARG 64 1HH1 ARG 64 10.291 -1.113 -10.561 536 HH12 ARG 64 2HH1 ARG 64 11.092 -2.449 -11.329 537 HH21 ARG 64 1HH2 ARG 64 8.299 -4.580 -11.187 538 HH22 ARG 64 2HH2 ARG 64 9.959 -4.426 -11.687 539 H LYS 65 H LYS 65 8.643 3.174 -7.092 540 HA LYS 65 HA LYS 65 6.778 5.103 -5.978 541 HB2 LYS 65 2HB LYS 65 9.798 5.093 -6.397 542 HB3 LYS 65 3HB LYS 65 8.938 6.458 -5.693 543 HG2 LYS 65 2HG LYS 65 8.291 5.163 -3.774 544 HG3 LYS 65 3HG LYS 65 8.895 3.671 -4.504 545 HD2 LYS 65 2HD LYS 65 11.191 4.438 -4.356 546 HD3 LYS 65 3HD LYS 65 10.682 6.056 -3.865 547 HE2 LYS 65 2HE LYS 65 10.220 3.546 -2.218 548 HE3 LYS 65 3HE LYS 65 11.571 4.660 -1.993 549 HZ1 LYS 65 3HZ LYS 65 9.999 6.421 -1.498 550 HZ2 LYS 65 1HZ LYS 65 9.759 5.110 -0.455 551 HZ3 LYS 65 2HZ LYS 65 8.703 5.366 -1.742 552 H THR 66 H THR 66 6.176 7.050 -6.933 553 HA THR 66 HA THR 66 7.588 7.932 -9.395 554 HB THR 66 HB THR 66 5.548 9.187 -10.035 555 HG1 THR 66 HG1 THR 66 3.679 9.025 -8.857 556 HG21 THR 66 3HG2 THR 66 4.891 6.256 -9.546 557 HG22 THR 66 1HG2 THR 66 5.795 6.884 -10.927 558 HG23 THR 66 2HG2 THR 66 4.100 7.319 -10.712 559 H GLY 67 H GLY 67 8.778 9.712 -9.040 560 HA2 GLY 67 2HA GLY 67 8.613 11.113 -6.482 561 HA3 GLY 67 3HA GLY 67 9.874 11.257 -7.688 562 H GLY 68 H GLY 68 9.090 13.513 -6.570 563 HA2 GLY 68 2HA GLY 68 7.037 14.810 -8.257 564 HA3 GLY 68 3HA GLY 68 7.618 15.375 -6.700 565 H SER 69 H SER 69 9.078 14.518 -9.842 566 HA SER 69 HA SER 69 10.653 17.007 -9.821 567 HB2 SER 69 2HB SER 69 10.665 14.680 -11.805 568 HB3 SER 69 3HB SER 69 11.783 16.051 -11.817 569 HG SER 69 HG SER 69 11.473 14.156 -9.720 570 H LEU 70 H LEU 70 8.374 17.960 -9.803 571 HA LEU 70 HA LEU 70 7.028 18.134 -12.394 572 HB2 LEU 70 2HB LEU 70 5.180 19.105 -11.265 573 HB3 LEU 70 3HB LEU 70 5.744 17.840 -10.196 574 HG LEU 70 HG LEU 70 6.360 20.801 -9.781 575 HD11 LEU 70 1HD1 LEU 70 3.945 20.433 -9.625 576 HD12 LEU 70 2HD1 LEU 70 4.627 20.817 -8.046 577 HD13 LEU 70 3HD1 LEU 70 4.198 19.149 -8.441 578 HD21 LEU 70 3HD2 LEU 70 6.996 20.188 -7.503 579 HD22 LEU 70 1HD2 LEU 70 7.982 19.305 -8.669 580 HD23 LEU 70 2HD2 LEU 70 6.660 18.487 -7.834 581 H GLU 71 H GLU 71 6.046 20.708 -12.382 582 HA GLU 71 HA GLU 71 8.405 22.494 -12.293 583 HB2 GLU 71 2HB GLU 71 7.977 21.849 -14.617 584 HB3 GLU 71 3HB GLU 71 6.281 22.288 -14.472 585 HG2 GLU 71 2HG GLU 71 7.592 23.951 -15.739 586 HG3 GLU 71 3HG GLU 71 6.848 24.637 -14.297 587 H HIS 72 H HIS 72 7.880 23.633 -10.429 588 HA HIS 72 HA HIS 72 5.384 25.017 -10.051 589 HB2 HIS 72 2HB HIS 72 8.178 25.584 -8.943 590 HB3 HIS 72 3HB HIS 72 6.763 26.546 -8.529 591 HD1 HIS 72 HD1 HIS 72 5.406 25.749 -6.595 592 HD2 HIS 72 HD2 HIS 72 7.959 22.800 -8.029 593 HE1 HIS 72 HE1 HIS 72 5.267 23.869 -4.943 594 HE2 HIS 72 HE2 HIS 72 6.668 22.043 -5.931 595 H HIS 73 H HIS 73 4.809 25.925 -11.952 596 HA HIS 73 HA HIS 73 6.575 26.776 -13.934 597 HB2 HIS 73 2HB HIS 73 4.356 25.880 -14.439 598 HB3 HIS 73 3HB HIS 73 3.586 27.259 -13.666 599 HD1 HIS 73 HD1 HIS 73 5.887 26.556 -16.620 600 HD2 HIS 73 HD2 HIS 73 2.963 29.255 -15.409 601 HE1 HIS 73 HE1 HIS 73 5.499 28.061 -18.592 602 HE2 HIS 73 HE2 HIS 73 3.630 29.578 -17.884 603 H HIS 74 H HIS 74 7.918 28.301 -13.292 604 HA HIS 74 HA HIS 74 7.083 30.878 -12.245 605 HB2 HIS 74 2HB HIS 74 9.569 31.351 -12.277 606 HB3 HIS 74 3HB HIS 74 9.109 29.956 -11.308 607 HD1 HIS 74 HD1 HIS 74 9.570 27.552 -12.520 608 HD2 HIS 74 HD2 HIS 74 11.528 30.849 -14.122 609 HE1 HIS 74 HE1 HIS 74 11.415 26.622 -13.945 610 HE2 HIS 74 HE2 HIS 74 12.466 28.629 -15.025 611 H HIS 75 H HIS 75 5.995 32.050 -13.747 612 HA HIS 75 HA HIS 75 7.406 32.996 -16.119 613 HB2 HIS 75 2HB HIS 75 6.191 30.969 -16.921 614 HB3 HIS 75 3HB HIS 75 4.675 31.643 -16.338 615 HD1 HIS 75 HD1 HIS 75 3.483 33.309 -17.848 616 HD2 HIS 75 HD2 HIS 75 7.243 32.259 -19.264 617 HE1 HIS 75 HE1 HIS 75 3.629 34.277 -20.156 618 HE2 HIS 75 HE2 HIS 75 5.979 33.807 -20.898 619 H HIS 76 H HIS 76 7.214 35.123 -16.023 620 HA HIS 76 HA HIS 76 4.800 36.458 -14.963 621 HB2 HIS 76 2HB HIS 76 7.611 37.487 -15.551 622 HB3 HIS 76 3HB HIS 76 6.276 38.555 -15.136 623 HD1 HIS 76 HD1 HIS 76 6.416 39.242 -12.787 624 HD2 HIS 76 HD2 HIS 76 7.802 35.358 -13.298 625 HE1 HIS 76 HE1 HIS 76 7.134 38.483 -10.513 626 HE2 HIS 76 HE2 HIS 76 8.158 36.214 -10.891 627 H HIS 77 H HIS 77 4.284 38.570 -16.189 628 HA HIS 77 HA HIS 77 3.723 37.874 -18.968 629 HB2 HIS 77 2HB HIS 77 1.896 38.702 -17.483 630 HB3 HIS 77 3HB HIS 77 2.742 40.234 -17.289 631 HD1 HIS 77 HD1 HIS 77 1.542 41.947 -18.625 632 HD2 HIS 77 HD2 HIS 77 1.655 38.285 -20.599 633 HE1 HIS 77 HE1 HIS 77 0.372 42.320 -20.819 634 HE2 HIS 77 HE2 HIS 77 0.589 40.144 -22.051 Start of MODEL 15 1 H1 MET 1 1H MET 1 2.056 14.363 -5.828 2 H2 MET 1 2H MET 1 0.626 14.869 -6.573 3 H3 MET 1 3H MET 1 1.857 14.172 -7.493 4 HA MET 1 HA MET 1 0.299 12.822 -5.385 5 HB2 MET 1 2HB MET 1 -1.032 13.253 -7.446 6 HB3 MET 1 3HB MET 1 0.215 12.491 -8.421 7 HG2 MET 1 2HG MET 1 -0.249 10.327 -7.334 8 HG3 MET 1 3HG MET 1 -1.476 11.092 -6.323 9 HE1 MET 1 3HE MET 1 -1.875 10.448 -10.897 10 HE2 MET 1 1HE MET 1 -0.523 9.850 -9.935 11 HE3 MET 1 2HE MET 1 -0.701 11.581 -10.231 12 H VAL 2 H VAL 2 1.746 11.471 -4.360 13 HA VAL 2 HA VAL 2 3.844 10.118 -5.866 14 HB VAL 2 HB VAL 2 3.098 9.702 -2.937 15 HG11 VAL 2 1HG1 VAL 2 5.587 8.856 -4.482 16 HG12 VAL 2 2HG1 VAL 2 4.323 7.773 -3.899 17 HG13 VAL 2 3HG1 VAL 2 5.341 8.638 -2.748 18 HG21 VAL 2 3HG2 VAL 2 5.289 11.436 -4.132 19 HG22 VAL 2 1HG2 VAL 2 5.054 11.135 -2.408 20 HG23 VAL 2 2HG2 VAL 2 3.835 12.019 -3.327 21 H ASP 3 H ASP 3 3.227 8.551 -7.113 22 HA ASP 3 HA ASP 3 0.853 6.950 -6.681 23 HB2 ASP 3 2HB ASP 3 1.454 7.950 -8.936 24 HB3 ASP 3 3HB ASP 3 2.859 6.891 -8.982 25 H LEU 4 H LEU 4 1.212 5.393 -5.178 26 HA LEU 4 HA LEU 4 3.654 3.737 -5.217 27 HB2 LEU 4 2HB LEU 4 1.386 3.865 -3.174 28 HB3 LEU 4 3HB LEU 4 2.863 2.930 -3.001 29 HG LEU 4 HG LEU 4 2.690 5.978 -3.040 30 HD11 LEU 4 1HD1 LEU 4 1.775 5.008 -0.975 31 HD12 LEU 4 2HD1 LEU 4 3.289 5.854 -0.667 32 HD13 LEU 4 3HD1 LEU 4 3.264 4.089 -0.732 33 HD21 LEU 4 3HD2 LEU 4 5.094 4.175 -2.615 34 HD22 LEU 4 1HD2 LEU 4 5.075 5.930 -2.419 35 HD23 LEU 4 2HD2 LEU 4 4.799 5.220 -4.007 36 H LYS 5 H LYS 5 3.415 2.056 -6.639 37 HA LYS 5 HA LYS 5 0.893 0.509 -6.677 38 HB2 LYS 5 2HB LYS 5 3.347 0.270 -8.477 39 HB3 LYS 5 3HB LYS 5 1.887 -0.715 -8.594 40 HG2 LYS 5 2HG LYS 5 0.632 1.499 -9.017 41 HG3 LYS 5 3HG LYS 5 2.227 2.224 -9.253 42 HD2 LYS 5 2HD LYS 5 1.028 -0.084 -10.836 43 HD3 LYS 5 3HD LYS 5 1.271 1.566 -11.409 44 HE2 LYS 5 2HE LYS 5 3.609 1.300 -11.584 45 HE3 LYS 5 3HE LYS 5 3.640 -0.074 -10.475 46 HZ1 LYS 5 3HZ LYS 5 3.959 -0.769 -12.762 47 HZ2 LYS 5 1HZ LYS 5 2.470 -0.099 -13.205 48 HZ3 LYS 5 2HZ LYS 5 2.526 -1.407 -12.135 49 H ILE 6 H ILE 6 0.845 -1.080 -5.246 50 HA ILE 6 HA ILE 6 3.335 -2.378 -4.338 51 HB ILE 6 HB ILE 6 0.519 -2.401 -3.139 52 HG12 ILE 6 2HG1 ILE 6 1.811 -1.387 -1.111 53 HG13 ILE 6 3HG1 ILE 6 3.124 -1.096 -2.240 54 HG21 ILE 6 1HG2 ILE 6 1.462 -3.757 -1.286 55 HG22 ILE 6 2HG2 ILE 6 2.992 -3.870 -2.157 56 HG23 ILE 6 3HG2 ILE 6 1.540 -4.613 -2.829 57 HD11 ILE 6 3HD1 ILE 6 1.802 0.899 -1.862 58 HD12 ILE 6 1HD1 ILE 6 0.346 0.067 -2.416 59 HD13 ILE 6 2HD1 ILE 6 1.670 0.377 -3.542 60 H ASP 7 H ASP 7 3.768 -3.873 -5.914 61 HA ASP 7 HA ASP 7 1.925 -5.578 -7.208 62 HB2 ASP 7 2HB ASP 7 4.144 -5.280 -8.160 63 HB3 ASP 7 3HB ASP 7 4.914 -5.840 -6.684 64 H VAL 8 H VAL 8 0.877 -7.299 -6.429 65 HA VAL 8 HA VAL 8 1.697 -8.527 -3.860 66 HB VAL 8 HB VAL 8 -0.802 -8.871 -3.409 67 HG11 VAL 8 1HG1 VAL 8 -1.151 -6.618 -2.468 68 HG12 VAL 8 2HG1 VAL 8 0.190 -5.996 -3.434 69 HG13 VAL 8 3HG1 VAL 8 0.492 -7.195 -2.172 70 HG21 VAL 8 3HG2 VAL 8 -1.123 -6.765 -5.595 71 HG22 VAL 8 1HG2 VAL 8 -2.410 -7.341 -4.529 72 HG23 VAL 8 2HG2 VAL 8 -1.662 -8.443 -5.684 73 H SER 9 H SER 9 1.543 -10.675 -3.758 74 HA SER 9 HA SER 9 1.085 -12.204 -6.223 75 HB2 SER 9 2HB SER 9 2.269 -14.024 -4.846 76 HB3 SER 9 3HB SER 9 3.223 -12.595 -5.233 77 HG SER 9 HG SER 9 1.868 -13.023 -2.765 78 H ASP 10 H ASP 10 -0.313 -11.736 -3.027 79 HA ASP 10 HA ASP 10 -2.159 -14.045 -3.412 80 HB2 ASP 10 2HB ASP 10 -1.232 -12.763 -0.811 81 HB3 ASP 10 3HB ASP 10 -2.409 -14.058 -0.913 82 H ASP 11 H ASP 11 -4.344 -13.806 -2.640 83 HA ASP 11 HA ASP 11 -5.623 -11.316 -3.223 84 HB2 ASP 11 2HB ASP 11 -6.683 -13.930 -2.058 85 HB3 ASP 11 3HB ASP 11 -7.724 -12.533 -2.300 86 H GLU 12 H GLU 12 -5.472 -13.263 -0.236 87 HA GLU 12 HA GLU 12 -6.629 -11.497 1.567 88 HB2 GLU 12 2HB GLU 12 -6.178 -13.861 2.103 89 HB3 GLU 12 3HB GLU 12 -4.448 -13.552 2.121 90 HG2 GLU 12 2HG GLU 12 -4.672 -12.121 4.085 91 HG3 GLU 12 3HG GLU 12 -6.428 -12.266 4.043 92 H GLU 13 H GLU 13 -3.292 -11.753 0.538 93 HA GLU 13 HA GLU 13 -1.987 -10.015 2.321 94 HB2 GLU 13 2HB GLU 13 -0.835 -11.622 0.904 95 HB3 GLU 13 3HB GLU 13 -1.391 -10.803 -0.552 96 HG2 GLU 13 2HG GLU 13 -0.003 -8.828 0.081 97 HG3 GLU 13 3HG GLU 13 0.597 -9.729 1.478 98 H ALA 14 H ALA 14 -3.394 -9.448 -0.883 99 HA ALA 14 HA ALA 14 -2.821 -6.719 -1.189 100 HB1 ALA 14 3HB ALA 14 -4.540 -6.779 -2.950 101 HB2 ALA 14 1HB ALA 14 -5.088 -8.351 -2.363 102 HB3 ALA 14 2HB ALA 14 -3.466 -8.175 -3.044 103 H GLU 15 H GLU 15 -5.835 -8.328 -0.123 104 HA GLU 15 HA GLU 15 -7.373 -6.115 0.534 105 HB2 GLU 15 2HB GLU 15 -7.431 -8.858 1.872 106 HB3 GLU 15 3HB GLU 15 -8.732 -7.668 1.907 107 HG2 GLU 15 2HG GLU 15 -8.880 -7.839 -0.601 108 HG3 GLU 15 3HG GLU 15 -7.686 -9.134 -0.531 109 H LYS 16 H LYS 16 -4.959 -7.809 2.477 110 HA LYS 16 HA LYS 16 -5.428 -6.433 4.930 111 HB2 LYS 16 2HB LYS 16 -3.016 -8.017 3.949 112 HB3 LYS 16 3HB LYS 16 -3.102 -7.290 5.552 113 HG2 LYS 16 2HG LYS 16 -5.048 -8.679 6.124 114 HG3 LYS 16 3HG LYS 16 -5.052 -9.365 4.498 115 HD2 LYS 16 2HD LYS 16 -4.013 -10.934 6.050 116 HD3 LYS 16 3HD LYS 16 -2.814 -10.339 4.900 117 HE2 LYS 16 2HE LYS 16 -1.827 -10.425 7.115 118 HE3 LYS 16 3HE LYS 16 -2.002 -8.732 6.649 119 HZ1 LYS 16 3HZ LYS 16 -2.685 -9.048 8.916 120 HZ2 LYS 16 1HZ LYS 16 -3.785 -10.256 8.474 121 HZ3 LYS 16 2HZ LYS 16 -4.041 -8.660 7.989 122 H ILE 17 H ILE 17 -3.359 -5.769 2.102 123 HA ILE 17 HA ILE 17 -1.878 -3.598 3.166 124 HB ILE 17 HB ILE 17 -2.779 -4.042 0.274 125 HG12 ILE 17 2HG1 ILE 17 -1.409 -5.909 0.949 126 HG13 ILE 17 3HG1 ILE 17 -0.378 -4.881 -0.033 127 HG21 ILE 17 1HG2 ILE 17 -0.930 -2.520 -0.399 128 HG22 ILE 17 2HG2 ILE 17 -0.630 -2.155 1.301 129 HG23 ILE 17 3HG2 ILE 17 -2.161 -1.691 0.561 130 HD11 ILE 17 3HD1 ILE 17 -0.373 -5.093 2.977 131 HD12 ILE 17 1HD1 ILE 17 0.632 -3.983 2.038 132 HD13 ILE 17 2HD1 ILE 17 0.831 -5.723 1.859 133 H ILE 18 H ILE 18 -4.989 -3.686 1.418 134 HA ILE 18 HA ILE 18 -5.662 -1.004 1.371 135 HB ILE 18 HB ILE 18 -7.503 -3.429 1.602 136 HG12 ILE 18 2HG1 ILE 18 -6.557 -1.919 -0.889 137 HG13 ILE 18 3HG1 ILE 18 -5.930 -3.476 -0.366 138 HG21 ILE 18 1HG2 ILE 18 -9.267 -1.998 0.616 139 HG22 ILE 18 2HG2 ILE 18 -8.176 -0.614 0.680 140 HG23 ILE 18 3HG2 ILE 18 -8.724 -1.370 2.177 141 HD11 ILE 18 3HD1 ILE 18 -8.741 -2.903 -1.302 142 HD12 ILE 18 1HD1 ILE 18 -8.158 -4.465 -0.715 143 HD13 ILE 18 2HD1 ILE 18 -7.475 -3.761 -2.179 144 H ARG 19 H ARG 19 -6.586 -3.447 3.844 145 HA ARG 19 HA ARG 19 -7.993 -1.779 5.614 146 HB2 ARG 19 2HB ARG 19 -6.335 -4.220 6.405 147 HB3 ARG 19 3HB ARG 19 -7.647 -3.505 7.340 148 HG2 ARG 19 2HG ARG 19 -9.287 -4.217 5.722 149 HG3 ARG 19 3HG ARG 19 -8.028 -4.754 4.607 150 HD2 ARG 19 2HD ARG 19 -7.295 -6.324 6.580 151 HD3 ARG 19 3HD ARG 19 -8.914 -6.004 7.211 152 HE ARG 19 HE ARG 19 -9.504 -6.804 4.740 153 HH11 ARG 19 1HH1 ARG 19 -7.249 -8.228 7.055 154 HH12 ARG 19 2HH1 ARG 19 -7.450 -9.837 6.442 155 HH21 ARG 19 1HH2 ARG 19 -9.734 -8.935 3.943 156 HH22 ARG 19 2HH2 ARG 19 -8.853 -10.232 4.683 157 H GLU 20 H GLU 20 -4.578 -2.688 5.486 158 HA GLU 20 HA GLU 20 -3.659 -1.790 7.956 159 HB2 GLU 20 2HB GLU 20 -2.478 -3.291 6.231 160 HB3 GLU 20 3HB GLU 20 -2.038 -1.824 5.367 161 HG2 GLU 20 2HG GLU 20 -0.162 -2.562 6.703 162 HG3 GLU 20 3HG GLU 20 -0.788 -1.053 7.368 163 H ILE 21 H ILE 21 -3.735 -0.164 4.820 164 HA ILE 21 HA ILE 21 -2.506 2.250 5.754 165 HB ILE 21 HB ILE 21 -3.979 1.775 3.132 166 HG12 ILE 21 2HG1 ILE 21 -2.121 0.165 3.342 167 HG13 ILE 21 3HG1 ILE 21 -1.728 1.368 2.127 168 HG21 ILE 21 1HG2 ILE 21 -3.713 4.158 3.641 169 HG22 ILE 21 2HG2 ILE 21 -2.654 3.703 2.310 170 HG23 ILE 21 3HG2 ILE 21 -1.985 3.928 3.922 171 HD11 ILE 21 3HD1 ILE 21 0.201 0.811 3.457 172 HD12 ILE 21 1HD1 ILE 21 -0.637 1.256 4.942 173 HD13 ILE 21 2HD1 ILE 21 -0.246 2.492 3.740 174 H ARG 22 H ARG 22 -5.848 1.126 5.247 175 HA ARG 22 HA ARG 22 -7.080 3.691 5.452 176 HB2 ARG 22 2HB ARG 22 -8.161 0.873 5.701 177 HB3 ARG 22 3HB ARG 22 -9.197 2.273 5.966 178 HG2 ARG 22 2HG ARG 22 -7.661 1.729 3.411 179 HG3 ARG 22 3HG ARG 22 -9.364 1.343 3.665 180 HD2 ARG 22 2HD ARG 22 -9.850 3.762 4.009 181 HD3 ARG 22 3HD ARG 22 -8.142 4.134 3.723 182 HE ARG 22 HE ARG 22 -9.096 2.660 1.533 183 HH11 ARG 22 1HH1 ARG 22 -9.598 5.853 2.947 184 HH12 ARG 22 2HH1 ARG 22 -10.009 6.579 1.431 185 HH21 ARG 22 1HH2 ARG 22 -9.606 3.635 -0.439 186 HH22 ARG 22 2HH2 ARG 22 -10.013 5.318 -0.480 187 H GLU 23 H GLU 23 -6.092 1.343 7.899 188 HA GLU 23 HA GLU 23 -7.761 2.347 10.034 189 HB2 GLU 23 2HB GLU 23 -5.295 0.556 10.101 190 HB3 GLU 23 3HB GLU 23 -6.306 0.906 11.499 191 HG2 GLU 23 2HG GLU 23 -8.195 -0.243 10.517 192 HG3 GLU 23 3HG GLU 23 -7.336 -0.453 8.989 193 H GLN 24 H GLN 24 -4.374 2.693 9.051 194 HA GLN 24 HA GLN 24 -3.679 4.497 11.205 195 HB2 GLN 24 2HB GLN 24 -2.097 3.801 8.693 196 HB3 GLN 24 3HB GLN 24 -1.462 4.569 10.145 197 HG2 GLN 24 2HG GLN 24 -1.884 2.520 11.439 198 HG3 GLN 24 3HG GLN 24 -2.590 1.750 10.018 199 HE21 GLN 24 1HE2 GLN 24 -1.090 0.062 9.966 200 HE22 GLN 24 2HE2 GLN 24 0.566 0.305 9.538 201 H TRP 25 H TRP 25 -4.016 4.799 7.657 202 HA TRP 25 HA TRP 25 -4.531 7.711 7.918 203 HB2 TRP 25 2HB TRP 25 -3.577 6.222 5.438 204 HB3 TRP 25 3HB TRP 25 -3.740 7.967 5.607 205 HD1 TRP 25 HD1 TRP 25 -1.819 9.244 7.045 206 HE1 TRP 25 HE1 TRP 25 0.561 8.530 7.701 207 HE3 TRP 25 HE3 TRP 25 -2.127 4.227 6.023 208 HZ2 TRP 25 HZ2 TRP 25 2.089 6.185 7.775 209 HZ3 TRP 25 HZ3 TRP 25 -0.150 2.818 6.408 210 HH2 TRP 25 HH2 TRP 25 1.925 3.779 7.268 211 HA PRO 26 HA PRO 26 -8.767 6.236 6.538 212 HB2 PRO 26 2HB PRO 26 -9.422 8.915 7.746 213 HB3 PRO 26 3HB PRO 26 -10.230 7.349 7.968 214 HG2 PRO 26 2HG PRO 26 -8.708 8.382 9.907 215 HG3 PRO 26 3HG PRO 26 -8.724 6.629 9.589 216 HD2 PRO 26 2HD PRO 26 -6.647 8.669 8.816 217 HD3 PRO 26 3HD PRO 26 -6.428 7.003 9.399 218 H LYS 27 H LYS 27 -7.197 9.425 6.318 219 HA LYS 27 HA LYS 27 -8.782 10.298 4.061 220 HB2 LYS 27 2HB LYS 27 -6.473 11.655 5.501 221 HB3 LYS 27 3HB LYS 27 -7.570 12.426 4.361 222 HG2 LYS 27 2HG LYS 27 -8.408 11.245 7.034 223 HG3 LYS 27 3HG LYS 27 -8.052 12.946 6.767 224 HD2 LYS 27 2HD LYS 27 -10.218 11.471 5.232 225 HD3 LYS 27 3HD LYS 27 -10.523 12.265 6.774 226 HE2 LYS 27 2HE LYS 27 -11.210 13.789 5.072 227 HE3 LYS 27 3HE LYS 27 -9.696 14.425 5.709 228 HZ1 LYS 27 3HZ LYS 27 -9.810 14.539 3.290 229 HZ2 LYS 27 1HZ LYS 27 -9.991 12.865 3.186 230 HZ3 LYS 27 2HZ LYS 27 -8.551 13.531 3.769 231 H ALA 28 H ALA 28 -7.074 7.992 3.476 232 HA ALA 28 HA ALA 28 -4.982 9.095 1.701 233 HB1 ALA 28 3HB ALA 28 -3.795 6.923 1.931 234 HB2 ALA 28 1HB ALA 28 -4.979 6.405 3.137 235 HB3 ALA 28 2HB ALA 28 -3.906 7.764 3.477 236 H THR 29 H THR 29 -5.606 8.750 -0.514 237 HA THR 29 HA THR 29 -7.857 7.147 -1.129 238 HB THR 29 HB THR 29 -5.711 8.187 -3.028 239 HG1 THR 29 HG1 THR 29 -7.287 9.593 -1.543 240 HG21 THR 29 3HG2 THR 29 -8.602 7.369 -3.596 241 HG22 THR 29 1HG2 THR 29 -7.167 6.442 -4.060 242 HG23 THR 29 2HG2 THR 29 -7.463 8.026 -4.773 243 H VAL 30 H VAL 30 -7.624 5.033 -0.555 244 HA VAL 30 HA VAL 30 -5.512 3.411 -1.830 245 HB VAL 30 HB VAL 30 -7.607 2.409 0.152 246 HG11 VAL 30 1HG1 VAL 30 -4.943 1.216 -0.704 247 HG12 VAL 30 2HG1 VAL 30 -6.532 0.668 -1.245 248 HG13 VAL 30 3HG1 VAL 30 -6.073 0.507 0.452 249 HG21 VAL 30 3HG2 VAL 30 -5.912 2.563 1.934 250 HG22 VAL 30 1HG2 VAL 30 -6.283 4.160 1.276 251 HG23 VAL 30 2HG2 VAL 30 -4.789 3.340 0.815 252 H THR 31 H THR 31 -6.045 2.021 -3.427 253 HA THR 31 HA THR 31 -8.860 1.853 -4.370 254 HB THR 31 HB THR 31 -6.316 2.089 -6.045 255 HG1 THR 31 HG1 THR 31 -6.620 4.116 -5.447 256 HG21 THR 31 3HG2 THR 31 -8.056 0.775 -7.205 257 HG22 THR 31 1HG2 THR 31 -7.795 2.335 -7.995 258 HG23 THR 31 2HG2 THR 31 -9.210 2.089 -6.970 259 H ARG 32 H ARG 32 -9.544 -0.296 -4.869 260 HA ARG 32 HA ARG 32 -7.643 -2.474 -4.541 261 HB2 ARG 32 2HB ARG 32 -9.831 -2.911 -3.625 262 HB3 ARG 32 3HB ARG 32 -10.632 -2.417 -5.116 263 HG2 ARG 32 2HG ARG 32 -9.773 -4.377 -6.285 264 HG3 ARG 32 3HG ARG 32 -8.808 -4.841 -4.886 265 HD2 ARG 32 2HD ARG 32 -11.835 -4.713 -4.930 266 HD3 ARG 32 3HD ARG 32 -10.887 -6.183 -5.170 267 HE ARG 32 HE ARG 32 -10.930 -4.589 -2.679 268 HH11 ARG 32 1HH1 ARG 32 -10.665 -7.712 -4.269 269 HH12 ARG 32 2HH1 ARG 32 -10.556 -8.596 -2.780 270 HH21 ARG 32 1HH2 ARG 32 -10.795 -5.748 -0.743 271 HH22 ARG 32 2HH2 ARG 32 -10.630 -7.474 -0.778 272 H THR 33 H THR 33 -6.424 -3.040 -6.202 273 HA THR 33 HA THR 33 -7.427 -3.081 -8.929 274 HB THR 33 HB THR 33 -4.880 -2.207 -9.469 275 HG1 THR 33 HG1 THR 33 -4.425 -1.742 -7.277 276 HG21 THR 33 3HG2 THR 33 -6.911 -1.248 -10.490 277 HG22 THR 33 1HG2 THR 33 -5.776 0.009 -9.988 278 HG23 THR 33 2HG2 THR 33 -7.214 -0.325 -9.015 279 H ASN 34 H ASN 34 -6.914 -5.010 -9.794 280 HA ASN 34 HA ASN 34 -5.659 -6.980 -8.092 281 HB2 ASN 34 2HB ASN 34 -6.871 -7.233 -10.887 282 HB3 ASN 34 3HB ASN 34 -6.317 -8.587 -9.904 283 HD21 ASN 34 1HD2 ASN 34 -8.798 -6.173 -10.320 284 HD22 ASN 34 2HD2 ASN 34 -9.914 -6.832 -9.176 285 H GLY 35 H GLY 35 -3.511 -7.146 -8.004 286 HA2 GLY 35 2HA GLY 35 -1.546 -8.134 -9.102 287 HA3 GLY 35 3HA GLY 35 -1.865 -7.109 -10.494 288 H ASP 36 H ASP 36 -2.086 -4.687 -9.790 289 HA ASP 36 HA ASP 36 0.134 -3.928 -7.951 290 HB2 ASP 36 2HB ASP 36 -1.161 -2.414 -10.279 291 HB3 ASP 36 3HB ASP 36 -0.030 -1.660 -9.158 292 H ILE 37 H ILE 37 -0.589 -3.012 -6.077 293 HA ILE 37 HA ILE 37 -3.377 -2.180 -5.763 294 HB ILE 37 HB ILE 37 -1.129 -2.460 -3.711 295 HG12 ILE 37 2HG1 ILE 37 -1.976 -4.630 -4.557 296 HG13 ILE 37 3HG1 ILE 37 -2.410 -4.412 -2.865 297 HG21 ILE 37 1HG2 ILE 37 -2.841 -2.091 -1.934 298 HG22 ILE 37 2HG2 ILE 37 -4.029 -1.697 -3.179 299 HG23 ILE 37 3HG2 ILE 37 -2.617 -0.665 -2.952 300 HD11 ILE 37 3HD1 ILE 37 -4.223 -5.392 -4.127 301 HD12 ILE 37 1HD1 ILE 37 -4.245 -4.019 -5.229 302 HD13 ILE 37 2HD1 ILE 37 -4.688 -3.799 -3.531 303 H LYS 38 H LYS 38 -3.910 -0.144 -6.150 304 HA LYS 38 HA LYS 38 -1.886 1.912 -6.512 305 HB2 LYS 38 2HB LYS 38 -4.839 1.692 -7.151 306 HB3 LYS 38 3HB LYS 38 -4.058 3.269 -7.178 307 HG2 LYS 38 2HG LYS 38 -3.138 0.893 -8.819 308 HG3 LYS 38 3HG LYS 38 -4.214 2.163 -9.420 309 HD2 LYS 38 2HD LYS 38 -2.409 3.853 -8.903 310 HD3 LYS 38 3HD LYS 38 -1.334 2.522 -8.465 311 HE2 LYS 38 2HE LYS 38 -1.442 1.658 -10.747 312 HE3 LYS 38 3HE LYS 38 -2.606 2.910 -11.190 313 HZ1 LYS 38 3HZ LYS 38 0.196 3.393 -10.317 314 HZ2 LYS 38 1HZ LYS 38 -0.923 4.583 -10.750 315 HZ3 LYS 38 2HZ LYS 38 -0.380 3.484 -11.903 316 H LEU 39 H LEU 39 -1.257 3.005 -4.870 317 HA LEU 39 HA LEU 39 -3.099 3.937 -2.777 318 HB2 LEU 39 2HB LEU 39 -1.702 2.166 -1.847 319 HB3 LEU 39 3HB LEU 39 -0.247 2.904 -2.494 320 HG LEU 39 HG LEU 39 -0.426 4.775 -0.907 321 HD11 LEU 39 1HD1 LEU 39 -2.160 4.850 0.832 322 HD12 LEU 39 2HD1 LEU 39 -2.972 3.468 0.092 323 HD13 LEU 39 3HD1 LEU 39 -2.853 4.997 -0.784 324 HD21 LEU 39 3HD2 LEU 39 -0.043 3.552 1.191 325 HD22 LEU 39 1HD2 LEU 39 0.766 2.775 -0.172 326 HD23 LEU 39 2HD2 LEU 39 -0.731 2.094 0.471 327 H ASP 40 H ASP 40 -2.934 6.068 -2.319 328 HA ASP 40 HA ASP 40 -1.007 7.733 -3.823 329 HB2 ASP 40 2HB ASP 40 -3.306 8.187 -4.471 330 HB3 ASP 40 3HB ASP 40 -3.819 8.282 -2.789 331 H ALA 41 H ALA 41 0.585 8.443 -2.592 332 HA ALA 41 HA ALA 41 0.218 8.997 0.282 333 HB1 ALA 41 3HB ALA 41 2.171 7.674 -0.321 334 HB2 ALA 41 1HB ALA 41 2.678 9.225 0.349 335 HB3 ALA 41 2HB ALA 41 2.743 8.948 -1.393 336 H GLN 42 H GLN 42 0.355 10.995 1.163 337 HA GLN 42 HA GLN 42 -0.348 13.231 -0.424 338 HB2 GLN 42 2HB GLN 42 -1.093 12.851 1.939 339 HB3 GLN 42 3HB GLN 42 0.539 13.211 2.493 340 HG2 GLN 42 2HG GLN 42 0.319 15.515 1.552 341 HG3 GLN 42 3HG GLN 42 -1.329 15.132 1.049 342 HE21 GLN 42 1HE2 GLN 42 -2.241 16.764 2.326 343 HE22 GLN 42 2HE2 GLN 42 -2.294 16.669 4.050 344 H THR 43 H THR 43 2.598 12.357 1.307 345 HA THR 43 HA THR 43 4.216 14.023 -0.506 346 HB THR 43 HB THR 43 5.784 14.537 1.405 347 HG1 THR 43 HG1 THR 43 3.682 13.791 3.152 348 HG21 THR 43 3HG2 THR 43 4.473 16.343 2.450 349 HG22 THR 43 1HG2 THR 43 2.974 15.612 1.867 350 HG23 THR 43 2HG2 THR 43 4.139 16.277 0.718 351 H GLU 44 H GLU 44 6.638 13.323 -0.110 352 HA GLU 44 HA GLU 44 6.842 10.518 -0.693 353 HB2 GLU 44 2HB GLU 44 9.032 12.587 -0.239 354 HB3 GLU 44 3HB GLU 44 9.252 10.991 -0.961 355 HG2 GLU 44 2HG GLU 44 7.852 11.605 -2.865 356 HG3 GLU 44 3HG GLU 44 7.493 13.171 -2.124 357 H LYS 45 H LYS 45 7.494 12.560 2.111 358 HA LYS 45 HA LYS 45 8.768 10.621 3.754 359 HB2 LYS 45 2HB LYS 45 8.832 13.067 4.201 360 HB3 LYS 45 3HB LYS 45 7.108 13.051 4.552 361 HG2 LYS 45 2HG LYS 45 7.565 11.517 6.490 362 HG3 LYS 45 3HG LYS 45 9.289 11.652 6.150 363 HD2 LYS 45 2HD LYS 45 7.447 13.938 6.946 364 HD3 LYS 45 3HD LYS 45 8.613 13.143 8.002 365 HE2 LYS 45 2HE LYS 45 10.448 13.932 6.505 366 HE3 LYS 45 3HE LYS 45 9.249 14.790 5.532 367 HZ1 LYS 45 3HZ LYS 45 9.819 15.278 8.404 368 HZ2 LYS 45 1HZ LYS 45 8.678 16.105 7.474 369 HZ3 LYS 45 2HZ LYS 45 10.320 16.250 7.119 370 H GLU 46 H GLU 46 5.395 11.652 3.352 371 HA GLU 46 HA GLU 46 4.105 9.856 5.032 372 HB2 GLU 46 2HB GLU 46 3.111 11.827 3.681 373 HB3 GLU 46 3HB GLU 46 2.984 10.704 2.334 374 HG2 GLU 46 2HG GLU 46 0.841 10.797 3.422 375 HG3 GLU 46 3HG GLU 46 1.555 9.224 3.793 376 H ALA 47 H ALA 47 5.115 9.454 1.643 377 HA ALA 47 HA ALA 47 4.166 6.907 1.118 378 HB1 ALA 47 3HB ALA 47 6.720 8.135 0.056 379 HB2 ALA 47 1HB ALA 47 5.101 8.398 -0.594 380 HB3 ALA 47 2HB ALA 47 5.827 6.790 -0.662 381 H GLU 48 H GLU 48 7.120 7.865 2.841 382 HA GLU 48 HA GLU 48 8.417 5.370 2.932 383 HB2 GLU 48 2HB GLU 48 8.518 7.750 4.828 384 HB3 GLU 48 3HB GLU 48 9.562 6.343 5.007 385 HG2 GLU 48 2HG GLU 48 9.469 8.193 2.611 386 HG3 GLU 48 3HG GLU 48 10.707 8.186 3.868 387 H LYS 49 H LYS 49 5.916 6.762 5.008 388 HA LYS 49 HA LYS 49 5.994 4.693 7.024 389 HB2 LYS 49 2HB LYS 49 3.869 6.792 6.411 390 HB3 LYS 49 3HB LYS 49 3.921 5.780 7.852 391 HG2 LYS 49 2HG LYS 49 6.048 6.849 8.526 392 HG3 LYS 49 3HG LYS 49 5.978 7.870 7.084 393 HD2 LYS 49 2HD LYS 49 5.164 9.084 9.064 394 HD3 LYS 49 3HD LYS 49 3.881 8.881 7.875 395 HE2 LYS 49 2HE LYS 49 3.051 8.502 10.161 396 HE3 LYS 49 3HE LYS 49 2.943 7.022 9.202 397 HZ1 LYS 49 3HZ LYS 49 5.071 7.663 11.184 398 HZ2 LYS 49 1HZ LYS 49 4.982 6.246 10.269 399 HZ3 LYS 49 2HZ LYS 49 3.792 6.584 11.416 400 H MET 50 H MET 50 3.822 5.630 4.465 401 HA MET 50 HA MET 50 1.881 3.647 4.552 402 HB2 MET 50 2HB MET 50 2.874 5.226 2.165 403 HB3 MET 50 3HB MET 50 1.513 4.114 2.057 404 HG2 MET 50 2HG MET 50 0.351 5.414 3.831 405 HG3 MET 50 3HG MET 50 1.682 6.578 3.802 406 HE1 MET 50 3HE MET 50 -1.372 8.381 2.012 407 HE2 MET 50 1HE MET 50 -0.304 8.417 3.414 408 HE3 MET 50 2HE MET 50 -1.532 7.156 3.271 409 H GLU 51 H GLU 51 4.713 3.563 2.311 410 HA GLU 51 HA GLU 51 4.443 0.922 1.474 411 HB2 GLU 51 2HB GLU 51 6.734 1.010 0.691 412 HB3 GLU 51 3HB GLU 51 6.014 2.596 0.432 413 HG2 GLU 51 2HG GLU 51 7.200 3.535 2.264 414 HG3 GLU 51 3HG GLU 51 7.736 1.967 2.850 415 H LYS 52 H LYS 52 5.757 2.166 4.464 416 HA LYS 52 HA LYS 52 7.352 -0.074 5.238 417 HB2 LYS 52 2HB LYS 52 7.557 2.288 6.109 418 HB3 LYS 52 3HB LYS 52 6.102 2.019 7.060 419 HG2 LYS 52 2HG LYS 52 7.257 0.237 8.319 420 HG3 LYS 52 3HG LYS 52 8.700 0.468 7.331 421 HD2 LYS 52 2HD LYS 52 7.481 2.423 9.305 422 HD3 LYS 52 3HD LYS 52 9.038 1.609 9.435 423 HE2 LYS 52 2HE LYS 52 8.282 3.773 7.439 424 HE3 LYS 52 3HE LYS 52 9.374 3.939 8.811 425 HZ1 LYS 52 3HZ LYS 52 10.873 2.358 7.737 426 HZ2 LYS 52 1HZ LYS 52 10.599 3.709 6.762 427 HZ3 LYS 52 2HZ LYS 52 9.833 2.246 6.414 428 H ALA 53 H ALA 53 4.050 0.991 5.964 429 HA ALA 53 HA ALA 53 3.339 -1.063 7.790 430 HB1 ALA 53 3HB ALA 53 1.034 -0.268 7.451 431 HB2 ALA 53 1HB ALA 53 1.555 0.671 6.048 432 HB3 ALA 53 2HB ALA 53 2.144 1.088 7.659 433 H VAL 54 H VAL 54 2.954 -0.686 4.266 434 HA VAL 54 HA VAL 54 1.746 -3.079 3.563 435 HB VAL 54 HB VAL 54 3.903 -1.463 2.138 436 HG11 VAL 54 1HG1 VAL 54 2.196 -3.664 0.940 437 HG12 VAL 54 2HG1 VAL 54 3.938 -3.727 1.206 438 HG13 VAL 54 3HG1 VAL 54 3.266 -2.588 0.041 439 HG21 VAL 54 3HG2 VAL 54 2.042 -0.540 0.802 440 HG22 VAL 54 1HG2 VAL 54 1.812 -0.224 2.524 441 HG23 VAL 54 2HG2 VAL 54 0.892 -1.504 1.732 442 H LYS 55 H LYS 55 5.252 -2.423 3.817 443 HA LYS 55 HA LYS 55 6.208 -4.992 3.294 444 HB2 LYS 55 2HB LYS 55 7.501 -2.696 4.819 445 HB3 LYS 55 3HB LYS 55 8.371 -4.160 4.354 446 HG2 LYS 55 2HG LYS 55 7.998 -3.693 1.993 447 HG3 LYS 55 3HG LYS 55 6.986 -2.304 2.390 448 HD2 LYS 55 2HD LYS 55 8.960 -1.177 3.415 449 HD3 LYS 55 3HD LYS 55 9.969 -2.554 2.965 450 HE2 LYS 55 2HE LYS 55 9.412 -2.104 0.563 451 HE3 LYS 55 3HE LYS 55 8.515 -0.677 1.068 452 HZ1 LYS 55 3HZ LYS 55 11.428 -1.105 1.485 453 HZ2 LYS 55 1HZ LYS 55 10.557 0.280 1.912 454 HZ3 LYS 55 2HZ LYS 55 10.741 -0.140 0.285 455 H LYS 56 H LYS 56 4.894 -3.723 6.271 456 HA LYS 56 HA LYS 56 5.904 -5.785 8.001 457 HB2 LYS 56 2HB LYS 56 3.468 -3.989 8.408 458 HB3 LYS 56 3HB LYS 56 4.240 -4.969 9.650 459 HG2 LYS 56 2HG LYS 56 5.423 -2.570 8.232 460 HG3 LYS 56 3HG LYS 56 4.901 -2.647 9.912 461 HD2 LYS 56 2HD LYS 56 6.716 -4.283 10.391 462 HD3 LYS 56 3HD LYS 56 7.223 -4.212 8.701 463 HE2 LYS 56 2HE LYS 56 7.791 -1.831 8.967 464 HE3 LYS 56 3HE LYS 56 7.261 -1.882 10.651 465 HZ1 LYS 56 3HZ LYS 56 8.993 -3.551 11.071 466 HZ2 LYS 56 1HZ LYS 56 9.642 -2.095 10.515 467 HZ3 LYS 56 2HZ LYS 56 9.518 -3.414 9.473 468 H VAL 57 H VAL 57 3.234 -5.593 5.774 469 HA VAL 57 HA VAL 57 1.932 -8.062 6.677 470 HB VAL 57 HB VAL 57 1.377 -6.316 4.220 471 HG11 VAL 57 1HG1 VAL 57 -0.800 -7.481 4.078 472 HG12 VAL 57 2HG1 VAL 57 -0.326 -8.539 5.407 473 HG13 VAL 57 3HG1 VAL 57 0.546 -8.606 3.874 474 HG21 VAL 57 3HG2 VAL 57 0.954 -5.059 6.287 475 HG22 VAL 57 1HG2 VAL 57 -0.067 -6.367 6.897 476 HG23 VAL 57 2HG2 VAL 57 -0.569 -5.442 5.479 477 H LYS 58 H LYS 58 4.323 -7.021 4.351 478 HA LYS 58 HA LYS 58 4.677 -9.685 3.243 479 HB2 LYS 58 2HB LYS 58 4.545 -8.790 0.825 480 HB3 LYS 58 3HB LYS 58 3.024 -9.061 1.661 481 HG2 LYS 58 2HG LYS 58 2.941 -6.584 2.160 482 HG3 LYS 58 3HG LYS 58 4.363 -6.388 1.143 483 HD2 LYS 58 2HD LYS 58 1.759 -7.580 0.123 484 HD3 LYS 58 3HD LYS 58 2.104 -5.856 0.069 485 HE2 LYS 58 2HE LYS 58 2.639 -6.630 -2.085 486 HE3 LYS 58 3HE LYS 58 4.196 -6.488 -1.291 487 HZ1 LYS 58 3HZ LYS 58 4.095 -8.505 -2.538 488 HZ2 LYS 58 1HZ LYS 58 2.673 -8.980 -1.765 489 HZ3 LYS 58 2HZ LYS 58 4.119 -8.904 -0.896 490 HA PRO 59 HA PRO 59 8.852 -7.753 3.958 491 HB2 PRO 59 2HB PRO 59 9.535 -10.646 3.408 492 HB3 PRO 59 3HB PRO 59 10.144 -9.565 4.683 493 HG2 PRO 59 2HG PRO 59 8.363 -11.422 5.298 494 HG3 PRO 59 3HG PRO 59 8.217 -9.789 5.992 495 HD2 PRO 59 2HD PRO 59 6.650 -11.019 3.726 496 HD3 PRO 59 3HD PRO 59 6.084 -9.974 5.052 497 H ASN 60 H ASN 60 7.813 -9.890 1.335 498 HA ASN 60 HA ASN 60 10.010 -9.136 -0.442 499 HB2 ASN 60 2HB ASN 60 7.663 -11.041 -0.803 500 HB3 ASN 60 3HB ASN 60 8.890 -10.746 -2.034 501 HD21 ASN 60 1HD2 ASN 60 9.998 -12.595 -2.118 502 HD22 ASN 60 2HD2 ASN 60 10.729 -13.384 -0.769 503 H ALA 61 H ALA 61 7.757 -7.220 0.438 504 HA ALA 61 HA ALA 61 5.976 -6.620 -1.593 505 HB1 ALA 61 3HB ALA 61 5.886 -5.618 0.659 506 HB2 ALA 61 1HB ALA 61 5.802 -4.380 -0.594 507 HB3 ALA 61 2HB ALA 61 7.308 -4.642 0.295 508 H THR 62 H THR 62 6.489 -6.310 -3.705 509 HA THR 62 HA THR 62 8.723 -4.602 -4.505 510 HB THR 62 HB THR 62 6.604 -5.998 -6.198 511 HG1 THR 62 HG1 THR 62 8.607 -7.324 -6.665 512 HG21 THR 62 3HG2 THR 62 9.237 -4.735 -7.041 513 HG22 THR 62 1HG2 THR 62 7.630 -4.079 -7.387 514 HG23 THR 62 2HG2 THR 62 8.128 -5.619 -8.087 515 H ILE 63 H ILE 63 8.270 -2.524 -3.991 516 HA ILE 63 HA ILE 63 5.618 -1.350 -4.601 517 HB ILE 63 HB ILE 63 7.693 -0.501 -2.514 518 HG12 ILE 63 2HG1 ILE 63 4.888 -1.596 -2.101 519 HG13 ILE 63 3HG1 ILE 63 6.329 -2.600 -2.031 520 HG21 ILE 63 1HG2 ILE 63 4.980 0.741 -3.119 521 HG22 ILE 63 2HG2 ILE 63 6.548 1.493 -3.419 522 HG23 ILE 63 3HG2 ILE 63 6.021 1.180 -1.763 523 HD11 ILE 63 3HD1 ILE 63 5.605 -2.092 0.160 524 HD12 ILE 63 1HD1 ILE 63 5.565 -0.362 -0.179 525 HD13 ILE 63 2HD1 ILE 63 7.105 -1.222 -0.141 526 H ARG 64 H ARG 64 5.558 0.162 -6.127 527 HA ARG 64 HA ARG 64 8.071 1.112 -7.364 528 HB2 ARG 64 2HB ARG 64 5.374 0.627 -8.728 529 HB3 ARG 64 3HB ARG 64 6.859 1.166 -9.513 530 HG2 ARG 64 2HG ARG 64 7.925 -1.015 -8.819 531 HG3 ARG 64 3HG ARG 64 6.340 -1.550 -8.257 532 HD2 ARG 64 2HD ARG 64 6.723 -2.448 -10.469 533 HD3 ARG 64 3HD ARG 64 5.468 -1.210 -10.576 534 HE ARG 64 HE ARG 64 7.818 0.111 -11.100 535 HH11 ARG 64 1HH1 ARG 64 6.140 -2.586 -12.640 536 HH12 ARG 64 2HH1 ARG 64 6.786 -2.224 -14.210 537 HH21 ARG 64 1HH2 ARG 64 8.684 0.524 -13.141 538 HH22 ARG 64 2HH2 ARG 64 8.223 -0.470 -14.492 539 H LYS 65 H LYS 65 8.314 3.285 -7.362 540 HA LYS 65 HA LYS 65 6.103 4.925 -6.255 541 HB2 LYS 65 2HB LYS 65 9.074 5.190 -5.645 542 HB3 LYS 65 3HB LYS 65 7.757 6.095 -4.897 543 HG2 LYS 65 2HG LYS 65 6.933 4.086 -3.799 544 HG3 LYS 65 3HG LYS 65 8.109 3.090 -4.655 545 HD2 LYS 65 2HD LYS 65 8.829 3.490 -2.342 546 HD3 LYS 65 3HD LYS 65 9.951 4.233 -3.484 547 HE2 LYS 65 2HE LYS 65 8.918 6.442 -3.062 548 HE3 LYS 65 3HE LYS 65 7.771 5.691 -1.945 549 HZ1 LYS 65 3HZ LYS 65 10.723 5.718 -1.615 550 HZ2 LYS 65 1HZ LYS 65 9.612 5.035 -0.544 551 HZ3 LYS 65 2HZ LYS 65 9.627 6.697 -0.777 552 H THR 66 H THR 66 5.600 6.691 -7.403 553 HA THR 66 HA THR 66 7.721 8.168 -8.849 554 HB THR 66 HB THR 66 4.822 7.851 -9.801 555 HG1 THR 66 HG1 THR 66 7.102 6.391 -10.301 556 HG21 THR 66 3HG2 THR 66 5.762 10.051 -10.412 557 HG22 THR 66 1HG2 THR 66 5.603 9.029 -11.846 558 HG23 THR 66 2HG2 THR 66 7.184 9.261 -11.097 559 H GLY 67 H GLY 67 7.910 10.164 -7.890 560 HA2 GLY 67 2HA GLY 67 5.545 11.524 -6.794 561 HA3 GLY 67 3HA GLY 67 6.799 11.069 -5.645 562 H GLY 68 H GLY 68 8.694 12.243 -5.549 563 HA2 GLY 68 2HA GLY 68 8.689 14.905 -6.582 564 HA3 GLY 68 3HA GLY 68 9.979 14.128 -5.676 565 H SER 69 H SER 69 8.777 14.918 -8.826 566 HA SER 69 HA SER 69 10.657 13.544 -10.429 567 HB2 SER 69 2HB SER 69 9.999 15.291 -12.172 568 HB3 SER 69 3HB SER 69 8.636 14.426 -11.459 569 HG SER 69 HG SER 69 8.108 16.568 -11.422 570 H LEU 70 H LEU 70 12.251 14.836 -11.852 571 HA LEU 70 HA LEU 70 14.149 16.160 -10.047 572 HB2 LEU 70 2HB LEU 70 14.531 15.153 -12.894 573 HB3 LEU 70 3HB LEU 70 15.800 15.672 -11.799 574 HG LEU 70 HG LEU 70 14.064 13.184 -11.474 575 HD11 LEU 70 1HD1 LEU 70 16.125 11.915 -11.850 576 HD12 LEU 70 2HD1 LEU 70 17.026 13.414 -12.098 577 HD13 LEU 70 3HD1 LEU 70 15.758 12.945 -13.233 578 HD21 LEU 70 3HD2 LEU 70 15.460 12.633 -9.521 579 HD22 LEU 70 1HD2 LEU 70 14.573 14.137 -9.275 580 HD23 LEU 70 2HD2 LEU 70 16.293 14.184 -9.668 581 H GLU 71 H GLU 71 11.739 17.560 -11.101 582 HA GLU 71 HA GLU 71 12.556 19.457 -13.097 583 HB2 GLU 71 2HB GLU 71 10.103 19.349 -11.294 584 HB3 GLU 71 3HB GLU 71 10.334 20.526 -12.577 585 HG2 GLU 71 2HG GLU 71 10.171 17.529 -12.984 586 HG3 GLU 71 3HG GLU 71 8.844 18.665 -13.225 587 H HIS 72 H HIS 72 12.258 19.472 -9.543 588 HA HIS 72 HA HIS 72 12.598 22.295 -9.206 589 HB2 HIS 72 2HB HIS 72 12.802 19.995 -7.221 590 HB3 HIS 72 3HB HIS 72 13.015 21.678 -6.756 591 HD1 HIS 72 HD1 HIS 72 10.548 19.248 -6.541 592 HD2 HIS 72 HD2 HIS 72 10.514 23.187 -7.849 593 HE1 HIS 72 HE1 HIS 72 8.174 20.009 -6.349 594 HE2 HIS 72 HE2 HIS 72 8.231 22.441 -6.931 595 H HIS 73 H HIS 73 14.427 22.717 -10.496 596 HA HIS 73 HA HIS 73 17.084 21.832 -9.650 597 HB2 HIS 73 2HB HIS 73 16.286 23.893 -11.770 598 HB3 HIS 73 3HB HIS 73 17.886 23.182 -11.558 599 HD1 HIS 73 HD1 HIS 73 15.134 22.878 -13.714 600 HD2 HIS 73 HD2 HIS 73 17.528 20.113 -11.751 601 HE1 HIS 73 HE1 HIS 73 14.838 20.718 -14.962 602 HE2 HIS 73 HE2 HIS 73 16.096 19.030 -13.599 603 H HIS 74 H HIS 74 17.904 22.761 -7.870 604 HA HIS 74 HA HIS 74 16.626 24.909 -6.535 605 HB2 HIS 74 2HB HIS 74 19.314 23.637 -5.877 606 HB3 HIS 74 3HB HIS 74 18.326 24.599 -4.781 607 HD1 HIS 74 HD1 HIS 74 19.207 21.308 -5.104 608 HD2 HIS 74 HD2 HIS 74 15.484 23.142 -4.856 609 HE1 HIS 74 HE1 HIS 74 17.635 19.541 -4.292 610 HE2 HIS 74 HE2 HIS 74 15.373 20.632 -4.292 611 H HIS 75 H HIS 75 16.710 26.682 -7.922 612 HA HIS 75 HA HIS 75 18.857 28.493 -7.476 613 HB2 HIS 75 2HB HIS 75 19.848 27.137 -9.358 614 HB3 HIS 75 3HB HIS 75 18.468 27.573 -10.367 615 HD1 HIS 75 HD1 HIS 75 21.485 29.104 -8.676 616 HD2 HIS 75 HD2 HIS 75 18.700 30.055 -11.605 617 HE1 HIS 75 HE1 HIS 75 22.297 31.236 -9.719 618 HE2 HIS 75 HE2 HIS 75 20.631 31.748 -11.527 619 H HIS 76 H HIS 76 17.326 29.869 -6.714 620 HA HIS 76 HA HIS 76 15.075 30.717 -8.337 621 HB2 HIS 76 2HB HIS 76 14.625 32.336 -6.485 622 HB3 HIS 76 3HB HIS 76 14.727 30.673 -5.924 623 HD1 HIS 76 HD1 HIS 76 16.632 30.080 -4.293 624 HD2 HIS 76 HD2 HIS 76 16.717 34.046 -5.531 625 HE1 HIS 76 HE1 HIS 76 18.291 31.225 -2.811 626 HE2 HIS 76 HE2 HIS 76 18.220 33.635 -3.492 627 H HIS 77 H HIS 77 15.109 32.349 -9.768 628 HA HIS 77 HA HIS 77 17.360 34.283 -9.740 629 HB2 HIS 77 2HB HIS 77 17.619 32.745 -11.647 630 HB3 HIS 77 3HB HIS 77 15.972 33.066 -12.174 631 HD1 HIS 77 HD1 HIS 77 16.120 34.402 -14.260 632 HD2 HIS 77 HD2 HIS 77 18.951 35.633 -11.480 633 HE1 HIS 77 HE1 HIS 77 17.280 36.375 -15.296 634 HE2 HIS 77 HE2 HIS 77 18.956 37.111 -13.581 Start of MODEL 16 1 H1 MET 1 1H MET 1 2.116 15.102 -3.310 2 H2 MET 1 2H MET 1 2.858 14.659 -4.759 3 H3 MET 1 3H MET 1 3.372 13.969 -3.308 4 HA MET 1 HA MET 1 1.262 12.885 -3.011 5 HB2 MET 1 2HB MET 1 0.602 14.008 -5.772 6 HB3 MET 1 3HB MET 1 -0.385 12.844 -4.893 7 HG2 MET 1 2HG MET 1 -0.836 14.513 -3.163 8 HG3 MET 1 3HG MET 1 0.193 15.679 -4.006 9 HE1 MET 1 3HE MET 1 -1.869 16.090 -7.412 10 HE2 MET 1 1HE MET 1 -0.596 14.913 -7.100 11 HE3 MET 1 2HE MET 1 -0.403 16.579 -6.557 12 H VAL 2 H VAL 2 2.269 10.949 -3.071 13 HA VAL 2 HA VAL 2 3.740 10.095 -5.493 14 HB VAL 2 HB VAL 2 3.831 8.778 -2.743 15 HG11 VAL 2 1HG1 VAL 2 4.669 7.382 -4.594 16 HG12 VAL 2 2HG1 VAL 2 5.988 7.839 -3.513 17 HG13 VAL 2 3HG1 VAL 2 5.794 8.658 -5.066 18 HG21 VAL 2 3HG2 VAL 2 5.689 10.970 -3.751 19 HG22 VAL 2 1HG2 VAL 2 5.902 10.044 -2.261 20 HG23 VAL 2 2HG2 VAL 2 4.517 11.123 -2.439 21 H ASP 3 H ASP 3 3.195 8.193 -6.549 22 HA ASP 3 HA ASP 3 0.790 6.716 -5.645 23 HB2 ASP 3 2HB ASP 3 0.392 7.633 -7.842 24 HB3 ASP 3 3HB ASP 3 1.960 7.088 -8.427 25 H LEU 4 H LEU 4 1.349 4.996 -4.574 26 HA LEU 4 HA LEU 4 3.846 3.527 -5.066 27 HB2 LEU 4 2HB LEU 4 1.781 3.187 -2.842 28 HB3 LEU 4 3HB LEU 4 3.385 2.466 -2.896 29 HG LEU 4 HG LEU 4 2.786 5.441 -2.582 30 HD11 LEU 4 1HD1 LEU 4 3.762 3.440 -0.525 31 HD12 LEU 4 2HD1 LEU 4 2.170 4.200 -0.582 32 HD13 LEU 4 3HD1 LEU 4 3.600 5.184 -0.280 33 HD21 LEU 4 3HD2 LEU 4 5.467 4.017 -2.448 34 HD22 LEU 4 1HD2 LEU 4 5.177 5.734 -2.155 35 HD23 LEU 4 2HD2 LEU 4 4.918 5.061 -3.762 36 H LYS 5 H LYS 5 3.628 1.940 -6.553 37 HA LYS 5 HA LYS 5 1.161 0.328 -6.748 38 HB2 LYS 5 2HB LYS 5 3.607 0.479 -8.554 39 HB3 LYS 5 3HB LYS 5 2.355 -0.748 -8.736 40 HG2 LYS 5 2HG LYS 5 0.686 1.026 -9.169 41 HG3 LYS 5 3HG LYS 5 1.951 2.252 -9.012 42 HD2 LYS 5 2HD LYS 5 3.150 1.261 -10.946 43 HD3 LYS 5 3HD LYS 5 1.905 0.018 -11.093 44 HE2 LYS 5 2HE LYS 5 1.525 1.735 -12.774 45 HE3 LYS 5 3HE LYS 5 0.234 1.815 -11.577 46 HZ1 LYS 5 3HZ LYS 5 2.580 3.614 -11.777 47 HZ2 LYS 5 1HZ LYS 5 1.459 3.649 -10.512 48 HZ3 LYS 5 2HZ LYS 5 0.969 4.014 -12.083 49 H ILE 6 H ILE 6 1.117 -1.345 -5.375 50 HA ILE 6 HA ILE 6 3.635 -2.658 -4.532 51 HB ILE 6 HB ILE 6 0.878 -2.794 -3.191 52 HG12 ILE 6 2HG1 ILE 6 2.228 -1.742 -1.198 53 HG13 ILE 6 3HG1 ILE 6 3.437 -1.327 -2.401 54 HG21 ILE 6 1HG2 ILE 6 1.995 -4.136 -1.412 55 HG22 ILE 6 2HG2 ILE 6 3.484 -4.139 -2.358 56 HG23 ILE 6 3HG2 ILE 6 2.043 -4.944 -2.980 57 HD11 ILE 6 3HD1 ILE 6 2.019 0.555 -1.902 58 HD12 ILE 6 1HD1 ILE 6 0.580 -0.365 -2.347 59 HD13 ILE 6 2HD1 ILE 6 1.784 0.046 -3.573 60 H ASP 7 H ASP 7 4.053 -4.436 -5.772 61 HA ASP 7 HA ASP 7 2.174 -5.908 -7.288 62 HB2 ASP 7 2HB ASP 7 4.852 -6.824 -6.127 63 HB3 ASP 7 3HB ASP 7 3.934 -7.720 -7.333 64 H VAL 8 H VAL 8 0.723 -7.528 -6.695 65 HA VAL 8 HA VAL 8 1.012 -8.834 -4.106 66 HB VAL 8 HB VAL 8 -1.497 -8.682 -3.710 67 HG11 VAL 8 1HG1 VAL 8 0.065 -7.343 -2.375 68 HG12 VAL 8 2HG1 VAL 8 -1.432 -6.451 -2.649 69 HG13 VAL 8 3HG1 VAL 8 0.018 -6.045 -3.574 70 HG21 VAL 8 3HG2 VAL 8 -2.778 -6.836 -4.738 71 HG22 VAL 8 1HG2 VAL 8 -2.229 -7.985 -5.958 72 HG23 VAL 8 2HG2 VAL 8 -1.399 -6.439 -5.768 73 H SER 9 H SER 9 0.955 -10.861 -4.385 74 HA SER 9 HA SER 9 0.234 -12.092 -6.938 75 HB2 SER 9 2HB SER 9 2.393 -12.622 -5.843 76 HB3 SER 9 3HB SER 9 1.540 -13.284 -4.453 77 HG SER 9 HG SER 9 0.744 -14.379 -6.831 78 H ASP 10 H ASP 10 -1.615 -11.311 -4.384 79 HA ASP 10 HA ASP 10 -3.508 -13.507 -4.722 80 HB2 ASP 10 2HB ASP 10 -1.898 -14.240 -2.908 81 HB3 ASP 10 3HB ASP 10 -2.361 -12.828 -1.964 82 H ASP 11 H ASP 11 -5.599 -13.010 -3.695 83 HA ASP 11 HA ASP 11 -6.265 -10.203 -4.167 84 HB2 ASP 11 2HB ASP 11 -7.665 -11.907 -5.240 85 HB3 ASP 11 3HB ASP 11 -8.021 -12.651 -3.682 86 H GLU 12 H GLU 12 -6.351 -12.594 -1.585 87 HA GLU 12 HA GLU 12 -7.734 -10.977 0.345 88 HB2 GLU 12 2HB GLU 12 -7.743 -13.514 0.224 89 HB3 GLU 12 3HB GLU 12 -6.073 -13.508 0.768 90 HG2 GLU 12 2HG GLU 12 -8.295 -12.285 2.428 91 HG3 GLU 12 3HG GLU 12 -7.955 -14.010 2.477 92 H GLU 13 H GLU 13 -4.322 -11.961 -0.170 93 HA GLU 13 HA GLU 13 -3.117 -10.396 1.806 94 HB2 GLU 13 2HB GLU 13 -2.023 -12.282 0.653 95 HB3 GLU 13 3HB GLU 13 -1.996 -11.370 -0.847 96 HG2 GLU 13 2HG GLU 13 0.217 -11.440 0.302 97 HG3 GLU 13 3HG GLU 13 -0.381 -9.807 0.030 98 H ALA 14 H ALA 14 -4.345 -9.455 -1.322 99 HA ALA 14 HA ALA 14 -3.100 -6.890 -1.484 100 HB1 ALA 14 3HB ALA 14 -5.720 -7.837 -2.703 101 HB2 ALA 14 1HB ALA 14 -4.123 -7.999 -3.440 102 HB3 ALA 14 2HB ALA 14 -4.812 -6.397 -3.177 103 H GLU 15 H GLU 15 -6.172 -8.085 -0.116 104 HA GLU 15 HA GLU 15 -7.247 -5.572 0.683 105 HB2 GLU 15 2HB GLU 15 -7.847 -8.352 1.761 106 HB3 GLU 15 3HB GLU 15 -8.827 -6.913 2.060 107 HG2 GLU 15 2HG GLU 15 -9.374 -6.755 -0.319 108 HG3 GLU 15 3HG GLU 15 -8.314 -8.121 -0.677 109 H LYS 16 H LYS 16 -4.955 -7.757 2.192 110 HA LYS 16 HA LYS 16 -4.885 -6.900 4.847 111 HB2 LYS 16 2HB LYS 16 -2.523 -7.569 3.032 112 HB3 LYS 16 3HB LYS 16 -2.414 -7.409 4.783 113 HG2 LYS 16 2HG LYS 16 -4.022 -9.499 3.293 114 HG3 LYS 16 3HG LYS 16 -2.426 -9.739 4.012 115 HD2 LYS 16 2HD LYS 16 -3.839 -8.831 6.200 116 HD3 LYS 16 3HD LYS 16 -5.124 -9.642 5.299 117 HE2 LYS 16 2HE LYS 16 -2.561 -10.834 6.406 118 HE3 LYS 16 3HE LYS 16 -4.231 -11.285 6.771 119 HZ1 LYS 16 3HZ LYS 16 -4.434 -12.112 4.480 120 HZ2 LYS 16 1HZ LYS 16 -3.212 -12.911 5.333 121 HZ3 LYS 16 2HZ LYS 16 -2.809 -11.736 4.188 122 H ILE 17 H ILE 17 -3.294 -5.565 1.998 123 HA ILE 17 HA ILE 17 -1.740 -3.580 3.309 124 HB ILE 17 HB ILE 17 -2.546 -3.706 0.368 125 HG12 ILE 17 2HG1 ILE 17 -1.572 -5.850 0.854 126 HG13 ILE 17 3HG1 ILE 17 -0.297 -4.919 0.076 127 HG21 ILE 17 1HG2 ILE 17 -0.453 -2.453 -0.063 128 HG22 ILE 17 2HG2 ILE 17 -0.165 -2.352 1.676 129 HG23 ILE 17 3HG2 ILE 17 -1.565 -1.548 0.965 130 HD11 ILE 17 3HD1 ILE 17 0.559 -6.233 1.916 131 HD12 ILE 17 1HD1 ILE 17 -0.564 -5.463 3.037 132 HD13 ILE 17 2HD1 ILE 17 0.718 -4.513 2.281 133 H ILE 18 H ILE 18 -4.745 -3.518 1.480 134 HA ILE 18 HA ILE 18 -5.414 -0.807 1.483 135 HB ILE 18 HB ILE 18 -7.323 -3.182 1.749 136 HG12 ILE 18 2HG1 ILE 18 -6.285 -1.850 -0.803 137 HG13 ILE 18 3HG1 ILE 18 -5.747 -3.406 -0.180 138 HG21 ILE 18 1HG2 ILE 18 -7.873 -0.381 0.683 139 HG22 ILE 18 2HG2 ILE 18 -8.460 -1.047 2.207 140 HG23 ILE 18 3HG2 ILE 18 -9.017 -1.729 0.681 141 HD11 ILE 18 3HD1 ILE 18 -7.298 -3.704 -1.995 142 HD12 ILE 18 1HD1 ILE 18 -8.525 -2.751 -1.159 143 HD13 ILE 18 2HD1 ILE 18 -8.006 -4.305 -0.497 144 H ARG 19 H ARG 19 -6.075 -3.334 3.888 145 HA ARG 19 HA ARG 19 -7.687 -1.863 5.661 146 HB2 ARG 19 2HB ARG 19 -7.562 -4.344 5.621 147 HB3 ARG 19 3HB ARG 19 -5.914 -4.272 6.240 148 HG2 ARG 19 2HG ARG 19 -6.727 -3.279 8.345 149 HG3 ARG 19 3HG ARG 19 -8.382 -3.285 7.722 150 HD2 ARG 19 2HD ARG 19 -8.275 -5.769 7.572 151 HD3 ARG 19 3HD ARG 19 -6.651 -5.722 8.275 152 HE ARG 19 HE ARG 19 -8.346 -4.339 9.999 153 HH11 ARG 19 1HH1 ARG 19 -7.970 -7.665 8.895 154 HH12 ARG 19 2HH1 ARG 19 -8.621 -8.334 10.357 155 HH21 ARG 19 1HH2 ARG 19 -9.211 -5.232 11.860 156 HH22 ARG 19 2HH2 ARG 19 -9.322 -6.960 12.033 157 H GLU 20 H GLU 20 -4.189 -2.664 5.862 158 HA GLU 20 HA GLU 20 -3.699 -1.479 8.364 159 HB2 GLU 20 2HB GLU 20 -1.700 -1.922 6.107 160 HB3 GLU 20 3HB GLU 20 -1.299 -1.661 7.808 161 HG2 GLU 20 2HG GLU 20 -2.714 -4.051 6.592 162 HG3 GLU 20 3HG GLU 20 -1.097 -4.012 7.286 163 H ILE 21 H ILE 21 -3.369 -0.168 5.083 164 HA ILE 21 HA ILE 21 -2.166 2.301 5.874 165 HB ILE 21 HB ILE 21 -3.673 1.662 3.298 166 HG12 ILE 21 2HG1 ILE 21 -1.765 0.125 3.590 167 HG13 ILE 21 3HG1 ILE 21 -1.397 1.272 2.313 168 HG21 ILE 21 1HG2 ILE 21 -3.488 4.074 3.643 169 HG22 ILE 21 2HG2 ILE 21 -2.403 3.582 2.346 170 HG23 ILE 21 3HG2 ILE 21 -1.757 3.937 3.950 171 HD11 ILE 21 3HD1 ILE 21 0.005 2.534 3.894 172 HD12 ILE 21 1HD1 ILE 21 0.528 0.862 3.688 173 HD13 ILE 21 2HD1 ILE 21 -0.354 1.332 5.139 174 H ARG 22 H ARG 22 -5.533 1.256 5.366 175 HA ARG 22 HA ARG 22 -6.679 3.892 5.673 176 HB2 ARG 22 2HB ARG 22 -7.896 1.115 5.666 177 HB3 ARG 22 3HB ARG 22 -8.869 2.542 5.987 178 HG2 ARG 22 2HG ARG 22 -7.286 2.107 3.434 179 HG3 ARG 22 3HG ARG 22 -8.992 1.702 3.630 180 HD2 ARG 22 2HD ARG 22 -9.413 4.136 4.187 181 HD3 ARG 22 3HD ARG 22 -7.734 4.469 3.744 182 HE ARG 22 HE ARG 22 -9.013 3.086 1.632 183 HH11 ARG 22 1HH1 ARG 22 -9.051 6.272 3.139 184 HH12 ARG 22 2HH1 ARG 22 -9.553 7.079 1.692 185 HH21 ARG 22 1HH2 ARG 22 -9.655 4.182 -0.269 186 HH22 ARG 22 2HH2 ARG 22 -9.896 5.901 -0.234 187 H GLU 23 H GLU 23 -5.498 1.552 7.951 188 HA GLU 23 HA GLU 23 -7.211 2.307 10.163 189 HB2 GLU 23 2HB GLU 23 -4.609 0.718 10.081 190 HB3 GLU 23 3HB GLU 23 -5.514 1.021 11.563 191 HG2 GLU 23 2HG GLU 23 -6.443 -0.582 9.159 192 HG3 GLU 23 3HG GLU 23 -5.984 -1.212 10.739 193 H GLN 24 H GLN 24 -3.863 2.998 9.164 194 HA GLN 24 HA GLN 24 -3.446 4.925 11.310 195 HB2 GLN 24 2HB GLN 24 -1.706 4.043 8.984 196 HB3 GLN 24 3HB GLN 24 -1.251 5.386 10.017 197 HG2 GLN 24 2HG GLN 24 -0.060 3.491 10.806 198 HG3 GLN 24 3HG GLN 24 -1.322 3.826 11.985 199 HE21 GLN 24 1HE2 GLN 24 -0.213 1.620 9.521 200 HE22 GLN 24 2HE2 GLN 24 -1.263 0.309 9.929 201 H TRP 25 H TRP 25 -3.668 5.076 7.729 202 HA TRP 25 HA TRP 25 -4.255 7.985 7.869 203 HB2 TRP 25 2HB TRP 25 -3.066 6.513 5.477 204 HB3 TRP 25 3HB TRP 25 -3.235 8.256 5.672 205 HD1 TRP 25 HD1 TRP 25 -1.468 9.479 7.332 206 HE1 TRP 25 HE1 TRP 25 0.848 8.752 8.177 207 HE3 TRP 25 HE3 TRP 25 -1.657 4.502 6.105 208 HZ2 TRP 25 HZ2 TRP 25 2.388 6.404 8.316 209 HZ3 TRP 25 HZ3 TRP 25 0.290 3.083 6.634 210 HH2 TRP 25 HH2 TRP 25 2.275 4.020 7.718 211 HA PRO 26 HA PRO 26 -8.187 6.205 6.104 212 HB2 PRO 26 2HB PRO 26 -9.838 8.176 7.121 213 HB3 PRO 26 3HB PRO 26 -9.370 6.732 8.046 214 HG2 PRO 26 2HG PRO 26 -8.197 9.501 8.162 215 HG3 PRO 26 3HG PRO 26 -8.635 8.407 9.496 216 HD2 PRO 26 2HD PRO 26 -6.071 8.654 8.661 217 HD3 PRO 26 3HD PRO 26 -6.707 7.103 9.250 218 H LYS 27 H LYS 27 -6.626 9.358 5.974 219 HA LYS 27 HA LYS 27 -8.084 10.397 3.739 220 HB2 LYS 27 2HB LYS 27 -6.289 12.132 3.692 221 HB3 LYS 27 3HB LYS 27 -6.997 11.919 5.292 222 HG2 LYS 27 2HG LYS 27 -5.051 10.618 6.028 223 HG3 LYS 27 3HG LYS 27 -4.338 10.714 4.411 224 HD2 LYS 27 2HD LYS 27 -4.024 13.111 4.621 225 HD3 LYS 27 3HD LYS 27 -4.964 13.155 6.117 226 HE2 LYS 27 2HE LYS 27 -2.322 11.691 5.803 227 HE3 LYS 27 3HE LYS 27 -2.490 13.316 6.471 228 HZ1 LYS 27 3HZ LYS 27 -3.735 10.861 7.595 229 HZ2 LYS 27 1HZ LYS 27 -3.859 12.422 8.230 230 HZ3 LYS 27 2HZ LYS 27 -2.364 11.640 8.198 231 H ALA 28 H ALA 28 -5.429 8.172 4.001 232 HA ALA 28 HA ALA 28 -4.238 8.481 1.459 233 HB1 ALA 28 3HB ALA 28 -3.344 6.225 1.825 234 HB2 ALA 28 1HB ALA 28 -4.492 5.974 3.145 235 HB3 ALA 28 2HB ALA 28 -3.230 7.196 3.293 236 H THR 29 H THR 29 -5.358 8.379 -0.437 237 HA THR 29 HA THR 29 -7.796 6.868 -0.762 238 HB THR 29 HB THR 29 -6.161 8.003 -3.080 239 HG1 THR 29 HG1 THR 29 -6.503 9.936 -2.402 240 HG21 THR 29 3HG2 THR 29 -8.184 6.668 -3.658 241 HG22 THR 29 1HG2 THR 29 -8.371 8.359 -4.113 242 HG23 THR 29 2HG2 THR 29 -9.177 7.743 -2.667 243 H VAL 30 H VAL 30 -7.565 4.668 -0.665 244 HA VAL 30 HA VAL 30 -5.321 3.312 -1.990 245 HB VAL 30 HB VAL 30 -7.537 2.007 -0.334 246 HG11 VAL 30 1HG1 VAL 30 -4.750 1.032 -1.088 247 HG12 VAL 30 2HG1 VAL 30 -6.272 0.457 -1.774 248 HG13 VAL 30 3HG1 VAL 30 -5.905 0.161 -0.075 249 HG21 VAL 30 3HG2 VAL 30 -6.015 2.050 1.613 250 HG22 VAL 30 1HG2 VAL 30 -6.398 3.691 1.084 251 HG23 VAL 30 2HG2 VAL 30 -4.832 2.978 0.689 252 H THR 31 H THR 31 -5.576 2.031 -3.800 253 HA THR 31 HA THR 31 -8.289 1.733 -4.957 254 HB THR 31 HB THR 31 -5.692 2.248 -6.469 255 HG1 THR 31 HG1 THR 31 -6.322 4.155 -5.565 256 HG21 THR 31 3HG2 THR 31 -7.141 2.460 -8.484 257 HG22 THR 31 1HG2 THR 31 -8.551 2.010 -7.513 258 HG23 THR 31 2HG2 THR 31 -7.257 0.844 -7.788 259 H ARG 32 H ARG 32 -8.798 -0.340 -5.520 260 HA ARG 32 HA ARG 32 -6.821 -2.461 -4.946 261 HB2 ARG 32 2HB ARG 32 -8.774 -2.430 -3.469 262 HB3 ARG 32 3HB ARG 32 -9.871 -2.367 -4.847 263 HG2 ARG 32 2HG ARG 32 -9.022 -4.663 -5.507 264 HG3 ARG 32 3HG ARG 32 -8.136 -4.700 -3.977 265 HD2 ARG 32 2HD ARG 32 -10.293 -5.894 -3.827 266 HD3 ARG 32 3HD ARG 32 -10.229 -4.510 -2.730 267 HE ARG 32 HE ARG 32 -11.397 -3.498 -4.982 268 HH11 ARG 32 1HH1 ARG 32 -12.208 -6.244 -2.934 269 HH12 ARG 32 2HH1 ARG 32 -13.905 -6.121 -3.262 270 HH21 ARG 32 1HH2 ARG 32 -13.616 -3.330 -5.335 271 HH22 ARG 32 2HH2 ARG 32 -14.705 -4.472 -4.618 272 H THR 33 H THR 33 -6.077 -3.529 -6.765 273 HA THR 33 HA THR 33 -7.719 -3.848 -9.145 274 HB THR 33 HB THR 33 -5.714 -3.029 -10.593 275 HG1 THR 33 HG1 THR 33 -4.347 -2.823 -8.591 276 HG21 THR 33 3HG2 THR 33 -6.404 -0.672 -10.596 277 HG22 THR 33 1HG2 THR 33 -7.230 -0.897 -9.050 278 HG23 THR 33 2HG2 THR 33 -7.813 -1.731 -10.492 279 H ASN 34 H ASN 34 -7.598 -6.119 -8.975 280 HA ASN 34 HA ASN 34 -5.749 -7.563 -7.535 281 HB2 ASN 34 2HB ASN 34 -7.903 -8.486 -8.418 282 HB3 ASN 34 3HB ASN 34 -7.159 -8.646 -10.007 283 HD21 ASN 34 1HD2 ASN 34 -7.427 -10.910 -10.047 284 HD22 ASN 34 2HD2 ASN 34 -6.497 -11.967 -9.051 285 H GLY 35 H GLY 35 -3.644 -8.048 -7.723 286 HA2 GLY 35 2HA GLY 35 -1.693 -8.746 -9.017 287 HA3 GLY 35 3HA GLY 35 -2.230 -7.699 -10.321 288 H ASP 36 H ASP 36 -2.977 -5.531 -8.533 289 HA ASP 36 HA ASP 36 -0.427 -4.569 -7.430 290 HB2 ASP 36 2HB ASP 36 -2.176 -2.933 -9.332 291 HB3 ASP 36 3HB ASP 36 -0.713 -2.364 -8.533 292 H ILE 37 H ILE 37 -0.624 -2.872 -5.928 293 HA ILE 37 HA ILE 37 -3.343 -1.990 -5.095 294 HB ILE 37 HB ILE 37 -0.915 -2.437 -3.285 295 HG12 ILE 37 2HG1 ILE 37 -2.311 -4.449 -3.673 296 HG13 ILE 37 3HG1 ILE 37 -2.439 -3.924 -1.999 297 HG21 ILE 37 1HG2 ILE 37 -1.876 -0.269 -2.647 298 HG22 ILE 37 2HG2 ILE 37 -2.243 -1.465 -1.404 299 HG23 ILE 37 3HG2 ILE 37 -3.491 -0.978 -2.553 300 HD11 ILE 37 3HD1 ILE 37 -4.615 -2.875 -2.534 301 HD12 ILE 37 1HD1 ILE 37 -4.581 -4.613 -2.828 302 HD13 ILE 37 2HD1 ILE 37 -4.472 -3.493 -4.182 303 H LYS 38 H LYS 38 -3.570 -0.033 -5.971 304 HA LYS 38 HA LYS 38 -1.250 1.743 -6.374 305 HB2 LYS 38 2HB LYS 38 -4.136 2.080 -7.301 306 HB3 LYS 38 3HB LYS 38 -2.754 3.055 -7.806 307 HG2 LYS 38 2HG LYS 38 -1.767 1.132 -8.933 308 HG3 LYS 38 3HG LYS 38 -3.065 0.083 -8.341 309 HD2 LYS 38 2HD LYS 38 -4.712 1.450 -9.643 310 HD3 LYS 38 3HD LYS 38 -3.377 2.423 -10.275 311 HE2 LYS 38 2HE LYS 38 -2.422 0.400 -11.328 312 HE3 LYS 38 3HE LYS 38 -3.762 -0.560 -10.696 313 HZ1 LYS 38 3HZ LYS 38 -5.271 0.824 -12.003 314 HZ2 LYS 38 1HZ LYS 38 -4.159 0.008 -12.974 315 HZ3 LYS 38 2HZ LYS 38 -3.956 1.660 -12.656 316 H LEU 39 H LEU 39 -0.809 3.033 -4.694 317 HA LEU 39 HA LEU 39 -2.974 3.904 -2.882 318 HB2 LEU 39 2HB LEU 39 -1.385 2.346 -1.851 319 HB3 LEU 39 3HB LEU 39 -0.036 3.366 -2.321 320 HG LEU 39 HG LEU 39 -0.733 5.114 -0.755 321 HD11 LEU 39 1HD1 LEU 39 -2.634 4.835 0.781 322 HD12 LEU 39 2HD1 LEU 39 -3.115 3.364 -0.072 323 HD13 LEU 39 3HD1 LEU 39 -3.152 4.925 -0.900 324 HD21 LEU 39 3HD2 LEU 39 -0.377 3.938 1.364 325 HD22 LEU 39 1HD2 LEU 39 0.704 3.345 0.107 326 HD23 LEU 39 2HD2 LEU 39 -0.708 2.391 0.576 327 H ASP 40 H ASP 40 -3.206 6.001 -2.483 328 HA ASP 40 HA ASP 40 -1.480 7.960 -3.866 329 HB2 ASP 40 2HB ASP 40 -3.769 8.201 -4.582 330 HB3 ASP 40 3HB ASP 40 -4.377 8.063 -2.938 331 H ALA 41 H ALA 41 0.092 8.416 -2.492 332 HA ALA 41 HA ALA 41 -0.332 9.028 0.319 333 HB1 ALA 41 3HB ALA 41 2.123 9.445 0.316 334 HB2 ALA 41 1HB ALA 41 2.166 9.142 -1.425 335 HB3 ALA 41 2HB ALA 41 1.730 7.844 -0.312 336 H GLN 42 H GLN 42 -0.441 11.118 1.073 337 HA GLN 42 HA GLN 42 -1.204 13.123 -0.856 338 HB2 GLN 42 2HB GLN 42 -0.907 13.473 2.158 339 HB3 GLN 42 3HB GLN 42 -1.867 14.460 1.054 340 HG2 GLN 42 2HG GLN 42 -2.398 11.563 1.804 341 HG3 GLN 42 3HG GLN 42 -3.302 12.970 2.365 342 HE21 GLN 42 1HE2 GLN 42 -4.113 10.554 0.799 343 HE22 GLN 42 2HE2 GLN 42 -4.872 11.160 -0.627 344 H THR 43 H THR 43 1.515 12.622 1.369 345 HA THR 43 HA THR 43 3.115 14.544 -0.211 346 HB THR 43 HB THR 43 2.425 15.628 1.942 347 HG1 THR 43 HG1 THR 43 4.318 16.570 2.009 348 HG21 THR 43 3HG2 THR 43 3.414 14.879 4.068 349 HG22 THR 43 1HG2 THR 43 4.093 13.461 3.265 350 HG23 THR 43 2HG2 THR 43 2.343 13.641 3.408 351 H GLU 44 H GLU 44 5.568 14.201 0.655 352 HA GLU 44 HA GLU 44 6.123 11.754 -0.732 353 HB2 GLU 44 2HB GLU 44 8.194 13.675 0.410 354 HB3 GLU 44 3HB GLU 44 8.374 12.575 -0.956 355 HG2 GLU 44 2HG GLU 44 6.750 15.142 -0.842 356 HG3 GLU 44 3HG GLU 44 8.206 14.836 -1.789 357 H LYS 45 H LYS 45 7.120 13.046 2.457 358 HA LYS 45 HA LYS 45 8.543 10.701 3.248 359 HB2 LYS 45 2HB LYS 45 7.574 13.034 4.946 360 HB3 LYS 45 3HB LYS 45 8.712 11.791 5.475 361 HG2 LYS 45 2HG LYS 45 10.274 12.512 3.645 362 HG3 LYS 45 3HG LYS 45 9.148 13.812 3.245 363 HD2 LYS 45 2HD LYS 45 10.929 14.716 4.614 364 HD3 LYS 45 3HD LYS 45 9.438 14.724 5.559 365 HE2 LYS 45 2HE LYS 45 11.396 13.980 6.890 366 HE3 LYS 45 3HE LYS 45 10.170 12.717 6.775 367 HZ1 LYS 45 3HZ LYS 45 11.474 11.636 5.063 368 HZ2 LYS 45 1HZ LYS 45 12.418 11.860 6.447 369 HZ3 LYS 45 2HZ LYS 45 12.630 12.869 5.105 370 H GLU 46 H GLU 46 5.228 11.309 3.097 371 HA GLU 46 HA GLU 46 4.418 9.686 5.366 372 HB2 GLU 46 2HB GLU 46 3.069 11.619 4.733 373 HB3 GLU 46 3HB GLU 46 2.887 11.005 3.093 374 HG2 GLU 46 2HG GLU 46 1.523 9.150 3.892 375 HG3 GLU 46 3HG GLU 46 1.786 9.639 5.573 376 H ALA 47 H ALA 47 4.820 9.499 1.857 377 HA ALA 47 HA ALA 47 3.696 6.997 1.279 378 HB1 ALA 47 3HB ALA 47 4.416 8.619 -0.439 379 HB2 ALA 47 1HB ALA 47 5.113 7.022 -0.730 380 HB3 ALA 47 2HB ALA 47 6.103 8.308 -0.029 381 H GLU 48 H GLU 48 6.817 7.868 2.612 382 HA GLU 48 HA GLU 48 8.184 5.407 2.415 383 HB2 GLU 48 2HB GLU 48 8.532 7.499 4.607 384 HB3 GLU 48 3HB GLU 48 9.734 6.327 4.058 385 HG2 GLU 48 2HG GLU 48 8.641 8.663 2.448 386 HG3 GLU 48 3HG GLU 48 10.202 8.613 3.259 387 H LYS 49 H LYS 49 6.040 6.770 4.860 388 HA LYS 49 HA LYS 49 6.397 4.716 6.846 389 HB2 LYS 49 2HB LYS 49 4.110 6.716 6.579 390 HB3 LYS 49 3HB LYS 49 4.613 5.875 8.045 391 HG2 LYS 49 2HG LYS 49 6.676 7.157 8.126 392 HG3 LYS 49 3HG LYS 49 6.324 7.902 6.562 393 HD2 LYS 49 2HD LYS 49 4.311 8.996 7.574 394 HD3 LYS 49 3HD LYS 49 4.733 8.291 9.138 395 HE2 LYS 49 2HE LYS 49 6.837 9.568 9.159 396 HE3 LYS 49 3HE LYS 49 6.468 10.227 7.562 397 HZ1 LYS 49 3HZ LYS 49 4.845 10.677 10.011 398 HZ2 LYS 49 1HZ LYS 49 4.567 11.352 8.484 399 HZ3 LYS 49 2HZ LYS 49 5.951 11.775 9.354 400 H MET 50 H MET 50 3.748 5.650 4.760 401 HA MET 50 HA MET 50 1.965 3.623 4.787 402 HB2 MET 50 2HB MET 50 2.973 5.066 2.315 403 HB3 MET 50 3HB MET 50 1.606 3.960 2.267 404 HG2 MET 50 2HG MET 50 0.416 5.373 3.907 405 HG3 MET 50 3HG MET 50 1.775 6.507 3.892 406 HE1 MET 50 3HE MET 50 -1.296 7.245 3.292 407 HE2 MET 50 1HE MET 50 -1.129 8.328 1.912 408 HE3 MET 50 2HE MET 50 -0.023 8.460 3.273 409 H GLU 51 H GLU 51 4.753 3.468 2.503 410 HA GLU 51 HA GLU 51 4.274 0.773 1.762 411 HB2 GLU 51 2HB GLU 51 6.347 0.858 0.549 412 HB3 GLU 51 3HB GLU 51 5.507 2.388 0.339 413 HG2 GLU 51 2HG GLU 51 7.022 3.515 1.824 414 HG3 GLU 51 3HG GLU 51 7.766 1.996 2.325 415 H LYS 52 H LYS 52 6.067 2.189 4.400 416 HA LYS 52 HA LYS 52 7.688 0.009 5.178 417 HB2 LYS 52 2HB LYS 52 7.937 2.336 6.021 418 HB3 LYS 52 3HB LYS 52 6.416 2.185 6.888 419 HG2 LYS 52 2HG LYS 52 7.403 0.458 8.341 420 HG3 LYS 52 3HG LYS 52 8.928 0.579 7.453 421 HD2 LYS 52 2HD LYS 52 9.152 2.944 8.147 422 HD3 LYS 52 3HD LYS 52 7.619 2.847 9.022 423 HE2 LYS 52 2HE LYS 52 9.534 2.650 10.560 424 HE3 LYS 52 3HE LYS 52 8.592 1.159 10.535 425 HZ1 LYS 52 3HZ LYS 52 11.100 1.600 9.007 426 HZ2 LYS 52 1HZ LYS 52 10.225 0.156 9.099 427 HZ3 LYS 52 2HZ LYS 52 10.994 0.765 10.473 428 H ALA 53 H ALA 53 4.368 0.975 6.046 429 HA ALA 53 HA ALA 53 3.769 -1.121 7.864 430 HB1 ALA 53 3HB ALA 53 1.418 -0.424 7.589 431 HB2 ALA 53 1HB ALA 53 1.864 0.550 6.187 432 HB3 ALA 53 2HB ALA 53 2.477 0.975 7.787 433 H VAL 54 H VAL 54 3.477 -0.847 4.356 434 HA VAL 54 HA VAL 54 2.098 -3.249 3.770 435 HB VAL 54 HB VAL 54 4.226 -1.856 2.071 436 HG11 VAL 54 1HG1 VAL 54 1.989 -3.724 1.204 437 HG12 VAL 54 2HG1 VAL 54 3.702 -4.133 1.266 438 HG13 VAL 54 3HG1 VAL 54 3.134 -2.909 0.132 439 HG21 VAL 54 3HG2 VAL 54 2.336 -0.659 0.982 440 HG22 VAL 54 1HG2 VAL 54 2.474 -0.261 2.696 441 HG23 VAL 54 2HG2 VAL 54 1.222 -1.375 2.148 442 H LYS 55 H LYS 55 5.569 -2.507 3.962 443 HA LYS 55 HA LYS 55 6.569 -5.108 3.427 444 HB2 LYS 55 2HB LYS 55 7.880 -2.709 4.757 445 HB3 LYS 55 3HB LYS 55 8.749 -4.183 4.325 446 HG2 LYS 55 2HG LYS 55 8.295 -3.817 1.955 447 HG3 LYS 55 3HG LYS 55 7.282 -2.417 2.335 448 HD2 LYS 55 2HD LYS 55 9.266 -1.246 3.276 449 HD3 LYS 55 3HD LYS 55 10.269 -2.646 2.890 450 HE2 LYS 55 2HE LYS 55 8.806 -0.928 0.850 451 HE3 LYS 55 3HE LYS 55 10.523 -0.814 1.235 452 HZ1 LYS 55 3HZ LYS 55 9.157 -3.177 0.055 453 HZ2 LYS 55 1HZ LYS 55 10.792 -3.108 0.475 454 HZ3 LYS 55 2HZ LYS 55 10.192 -2.112 -0.744 455 H LYS 56 H LYS 56 5.239 -3.773 6.331 456 HA LYS 56 HA LYS 56 6.424 -5.607 8.204 457 HB2 LYS 56 2HB LYS 56 3.860 -3.964 8.377 458 HB3 LYS 56 3HB LYS 56 4.524 -4.894 9.715 459 HG2 LYS 56 2HG LYS 56 6.075 -2.654 8.378 460 HG3 LYS 56 3HG LYS 56 4.941 -2.349 9.686 461 HD2 LYS 56 2HD LYS 56 7.033 -2.443 10.770 462 HD3 LYS 56 3HD LYS 56 6.349 -4.037 11.071 463 HE2 LYS 56 2HE LYS 56 7.770 -4.940 9.213 464 HE3 LYS 56 3HE LYS 56 8.463 -3.331 9.002 465 HZ1 LYS 56 3HZ LYS 56 9.340 -3.434 11.226 466 HZ2 LYS 56 1HZ LYS 56 9.856 -4.789 10.355 467 HZ3 LYS 56 2HZ LYS 56 8.615 -4.936 11.492 468 H VAL 57 H VAL 57 3.506 -5.581 6.203 469 HA VAL 57 HA VAL 57 2.413 -8.059 7.225 470 HB VAL 57 HB VAL 57 1.675 -6.658 4.614 471 HG11 VAL 57 1HG1 VAL 57 -0.534 -7.744 4.921 472 HG12 VAL 57 2HG1 VAL 57 0.059 -8.538 6.381 473 HG13 VAL 57 3HG1 VAL 57 0.762 -8.936 4.812 474 HG21 VAL 57 3HG2 VAL 57 0.513 -6.136 7.381 475 HG22 VAL 57 1HG2 VAL 57 -0.092 -5.456 5.867 476 HG23 VAL 57 2HG2 VAL 57 1.517 -5.022 6.449 477 H LYS 58 H LYS 58 4.769 -7.213 4.862 478 HA LYS 58 HA LYS 58 5.295 -9.883 4.092 479 HB2 LYS 58 2HB LYS 58 5.075 -9.425 1.526 480 HB3 LYS 58 3HB LYS 58 3.666 -9.936 2.434 481 HG2 LYS 58 2HG LYS 58 2.626 -7.841 2.272 482 HG3 LYS 58 3HG LYS 58 4.140 -7.000 1.915 483 HD2 LYS 58 2HD LYS 58 4.188 -7.782 -0.328 484 HD3 LYS 58 3HD LYS 58 3.041 -9.079 -0.003 485 HE2 LYS 58 2HE LYS 58 2.236 -6.166 0.134 486 HE3 LYS 58 3HE LYS 58 2.191 -7.083 -1.375 487 HZ1 LYS 58 3HZ LYS 58 0.053 -7.083 -0.230 488 HZ2 LYS 58 1HZ LYS 58 0.745 -7.838 1.120 489 HZ3 LYS 58 2HZ LYS 58 0.678 -8.643 -0.367 490 HA PRO 59 HA PRO 59 9.073 -7.346 4.374 491 HB2 PRO 59 2HB PRO 59 10.894 -9.464 4.206 492 HB3 PRO 59 3HB PRO 59 10.053 -8.980 5.699 493 HG2 PRO 59 2HG PRO 59 9.335 -11.163 3.750 494 HG3 PRO 59 3HG PRO 59 9.369 -11.210 5.528 495 HD2 PRO 59 2HD PRO 59 7.038 -10.925 4.229 496 HD3 PRO 59 3HD PRO 59 7.339 -10.027 5.734 497 H ASN 60 H ASN 60 8.274 -9.467 1.701 498 HA ASN 60 HA ASN 60 10.369 -8.253 -0.019 499 HB2 ASN 60 2HB ASN 60 8.717 -10.780 -0.476 500 HB3 ASN 60 3HB ASN 60 9.919 -10.149 -1.595 501 HD21 ASN 60 1HD2 ASN 60 11.827 -9.423 0.574 502 HD22 ASN 60 2HD2 ASN 60 12.468 -10.923 1.132 503 H ALA 61 H ALA 61 7.699 -7.091 0.850 504 HA ALA 61 HA ALA 61 6.046 -6.714 -1.386 505 HB1 ALA 61 3HB ALA 61 5.417 -6.004 0.885 506 HB2 ALA 61 1HB ALA 61 5.280 -4.660 -0.252 507 HB3 ALA 61 2HB ALA 61 6.656 -4.752 0.853 508 H THR 62 H THR 62 6.686 -6.002 -3.330 509 HA THR 62 HA THR 62 8.889 -4.099 -3.626 510 HB THR 62 HB THR 62 7.267 -5.570 -5.752 511 HG1 THR 62 HG1 THR 62 8.507 -7.148 -5.167 512 HG21 THR 62 3HG2 THR 62 9.847 -3.960 -6.037 513 HG22 THR 62 1HG2 THR 62 8.263 -3.484 -6.656 514 HG23 THR 62 2HG2 THR 62 9.077 -4.903 -7.315 515 H ILE 63 H ILE 63 8.427 -2.053 -3.580 516 HA ILE 63 HA ILE 63 5.791 -1.009 -4.438 517 HB ILE 63 HB ILE 63 7.823 0.220 -2.506 518 HG12 ILE 63 2HG1 ILE 63 5.685 0.264 -0.998 519 HG13 ILE 63 3HG1 ILE 63 4.989 -0.853 -2.157 520 HG21 ILE 63 1HG2 ILE 63 5.299 1.520 -3.605 521 HG22 ILE 63 2HG2 ILE 63 6.957 2.013 -3.948 522 HG23 ILE 63 3HG2 ILE 63 6.312 2.178 -2.316 523 HD11 ILE 63 3HD1 ILE 63 5.865 -1.964 -0.183 524 HD12 ILE 63 1HD1 ILE 63 7.473 -1.326 -0.524 525 HD13 ILE 63 2HD1 ILE 63 6.723 -2.474 -1.637 526 H ARG 64 H ARG 64 5.752 0.132 -6.196 527 HA ARG 64 HA ARG 64 8.201 1.118 -7.533 528 HB2 ARG 64 2HB ARG 64 5.442 0.433 -8.654 529 HB3 ARG 64 3HB ARG 64 6.801 1.030 -9.606 530 HG2 ARG 64 2HG ARG 64 8.039 -0.992 -9.287 531 HG3 ARG 64 3HG ARG 64 6.934 -1.564 -8.034 532 HD2 ARG 64 2HD ARG 64 6.588 -2.748 -10.168 533 HD3 ARG 64 3HD ARG 64 5.161 -1.828 -9.691 534 HE ARG 64 HE ARG 64 6.641 -0.189 -11.380 535 HH11 ARG 64 1HH1 ARG 64 4.950 -3.274 -11.652 536 HH12 ARG 64 2HH1 ARG 64 4.596 -3.057 -13.338 537 HH21 ARG 64 1HH2 ARG 64 6.163 0.060 -13.583 538 HH22 ARG 64 2HH2 ARG 64 5.282 -1.175 -14.424 539 H LYS 65 H LYS 65 8.405 3.334 -7.544 540 HA LYS 65 HA LYS 65 6.119 4.946 -6.568 541 HB2 LYS 65 2HB LYS 65 9.089 5.587 -6.635 542 HB3 LYS 65 3HB LYS 65 7.843 6.737 -6.150 543 HG2 LYS 65 2HG LYS 65 7.199 5.079 -4.328 544 HG3 LYS 65 3HG LYS 65 8.673 4.186 -4.736 545 HD2 LYS 65 2HD LYS 65 10.018 6.226 -4.262 546 HD3 LYS 65 3HD LYS 65 8.542 7.102 -3.840 547 HE2 LYS 65 2HE LYS 65 9.650 6.398 -1.809 548 HE3 LYS 65 3HE LYS 65 8.164 5.468 -1.988 549 HZ1 LYS 65 3HZ LYS 65 9.527 3.647 -2.907 550 HZ2 LYS 65 1HZ LYS 65 9.914 4.032 -1.312 551 HZ3 LYS 65 2HZ LYS 65 10.917 4.549 -2.570 552 H THR 66 H THR 66 5.412 6.681 -7.578 553 HA THR 66 HA THR 66 6.769 8.059 -9.676 554 HB THR 66 HB THR 66 5.617 6.227 -11.018 555 HG1 THR 66 HG1 THR 66 5.784 7.816 -12.399 556 HG21 THR 66 3HG2 THR 66 3.192 6.288 -11.347 557 HG22 THR 66 1HG2 THR 66 3.040 7.598 -10.173 558 HG23 THR 66 2HG2 THR 66 3.555 5.996 -9.646 559 H GLY 67 H GLY 67 4.681 9.751 -10.449 560 HA2 GLY 67 2HA GLY 67 3.088 11.285 -9.717 561 HA3 GLY 67 3HA GLY 67 3.112 10.552 -8.117 562 H GLY 68 H GLY 68 4.956 12.597 -10.327 563 HA2 GLY 68 2HA GLY 68 5.667 14.437 -8.200 564 HA3 GLY 68 3HA GLY 68 7.043 13.585 -8.909 565 H SER 69 H SER 69 6.840 13.478 -11.435 566 HA SER 69 HA SER 69 6.554 16.134 -12.534 567 HB2 SER 69 2HB SER 69 8.314 14.596 -13.361 568 HB3 SER 69 3HB SER 69 7.086 13.458 -13.904 569 HG SER 69 HG SER 69 7.773 14.681 -15.634 570 H LEU 70 H LEU 70 4.374 16.497 -11.968 571 HA LEU 70 HA LEU 70 2.156 15.033 -13.085 572 HB2 LEU 70 2HB LEU 70 2.187 16.376 -10.919 573 HB3 LEU 70 3HB LEU 70 2.225 17.836 -11.878 574 HG LEU 70 HG LEU 70 -0.096 15.868 -12.088 575 HD11 LEU 70 1HD1 LEU 70 0.113 16.455 -9.723 576 HD12 LEU 70 2HD1 LEU 70 -1.322 17.200 -10.421 577 HD13 LEU 70 3HD1 LEU 70 0.122 18.174 -10.129 578 HD21 LEU 70 3HD2 LEU 70 -0.003 17.567 -13.874 579 HD22 LEU 70 1HD2 LEU 70 0.051 18.857 -12.669 580 HD23 LEU 70 2HD2 LEU 70 -1.390 17.848 -12.829 581 H GLU 71 H GLU 71 0.943 15.590 -14.914 582 HA GLU 71 HA GLU 71 2.282 16.968 -17.040 583 HB2 GLU 71 2HB GLU 71 -0.491 15.723 -16.886 584 HB3 GLU 71 3HB GLU 71 0.118 16.505 -18.334 585 HG2 GLU 71 2HG GLU 71 0.356 14.092 -18.517 586 HG3 GLU 71 3HG GLU 71 1.940 14.871 -18.497 587 H HIS 72 H HIS 72 2.525 19.031 -16.055 588 HA HIS 72 HA HIS 72 0.264 20.823 -15.733 589 HB2 HIS 72 2HB HIS 72 1.927 22.547 -15.255 590 HB3 HIS 72 3HB HIS 72 2.344 21.092 -14.365 591 HD1 HIS 72 HD1 HIS 72 3.629 23.463 -16.889 592 HD2 HIS 72 HD2 HIS 72 4.690 19.740 -15.380 593 HE1 HIS 72 HE1 HIS 72 5.992 23.082 -17.634 594 HE2 HIS 72 HE2 HIS 72 6.664 20.907 -16.555 595 H HIS 73 H HIS 73 2.335 19.770 -18.277 596 HA HIS 73 HA HIS 73 2.005 21.834 -20.205 597 HB2 HIS 73 2HB HIS 73 3.707 19.942 -20.284 598 HB3 HIS 73 3HB HIS 73 2.404 18.834 -20.678 599 HD1 HIS 73 HD1 HIS 73 4.844 21.071 -22.172 600 HD2 HIS 73 HD2 HIS 73 1.202 19.418 -23.301 601 HE1 HIS 73 HE1 HIS 73 4.757 21.267 -24.666 602 HE2 HIS 73 HE2 HIS 73 2.638 20.086 -25.334 603 H HIS 74 H HIS 74 -0.070 22.515 -20.512 604 HA HIS 74 HA HIS 74 -2.367 20.900 -20.059 605 HB2 HIS 74 2HB HIS 74 -2.132 23.713 -21.214 606 HB3 HIS 74 3HB HIS 74 -3.636 22.969 -20.682 607 HD1 HIS 74 HD1 HIS 74 -1.309 25.326 -19.520 608 HD2 HIS 74 HD2 HIS 74 -3.193 22.081 -17.727 609 HE1 HIS 74 HE1 HIS 74 -1.188 25.747 -17.048 610 HE2 HIS 74 HE2 HIS 74 -2.378 23.801 -15.987 611 H HIS 75 H HIS 75 -3.423 19.613 -21.410 612 HA HIS 75 HA HIS 75 -4.130 20.369 -24.080 613 HB2 HIS 75 2HB HIS 75 -3.137 18.525 -25.325 614 HB3 HIS 75 3HB HIS 75 -1.846 19.388 -24.509 615 HD1 HIS 75 HD1 HIS 75 -3.495 16.051 -24.714 616 HD2 HIS 75 HD2 HIS 75 -0.592 17.918 -22.385 617 HE1 HIS 75 HE1 HIS 75 -2.282 14.201 -23.526 618 HE2 HIS 75 HE2 HIS 75 -0.462 15.348 -22.219 619 H HIS 76 H HIS 76 -5.771 18.894 -24.990 620 HA HIS 76 HA HIS 76 -7.457 17.773 -22.974 621 HB2 HIS 76 2HB HIS 76 -9.041 17.239 -24.714 622 HB3 HIS 76 3HB HIS 76 -8.361 18.808 -25.090 623 HD1 HIS 76 HD1 HIS 76 -7.291 19.074 -27.377 624 HD2 HIS 76 HD2 HIS 76 -8.234 15.131 -26.498 625 HE1 HIS 76 HE1 HIS 76 -6.983 17.814 -29.521 626 HE2 HIS 76 HE2 HIS 76 -7.394 15.410 -28.911 627 H HIS 77 H HIS 77 -7.917 15.604 -22.509 628 HA HIS 77 HA HIS 77 -6.359 13.473 -23.754 629 HB2 HIS 77 2HB HIS 77 -5.442 12.687 -21.551 630 HB3 HIS 77 3HB HIS 77 -4.763 14.207 -22.087 631 HD1 HIS 77 HD1 HIS 77 -6.437 12.633 -19.242 632 HD2 HIS 77 HD2 HIS 77 -5.764 16.514 -20.570 633 HE1 HIS 77 HE1 HIS 77 -6.849 14.108 -17.258 634 HE2 HIS 77 HE2 HIS 77 -6.369 16.440 -18.068 Start of MODEL 17 1 H1 MET 1 1H MET 1 1.702 14.460 -5.736 2 H2 MET 1 2H MET 1 2.225 14.128 -4.168 3 H3 MET 1 3H MET 1 0.726 14.859 -4.419 4 HA MET 1 HA MET 1 0.438 12.572 -3.863 5 HB2 MET 1 2HB MET 1 -1.148 13.618 -5.439 6 HB3 MET 1 3HB MET 1 -0.120 13.181 -6.795 7 HG2 MET 1 2HG MET 1 -0.551 10.802 -6.373 8 HG3 MET 1 3HG MET 1 -1.544 11.221 -4.978 9 HE1 MET 1 3HE MET 1 -4.631 12.960 -6.634 10 HE2 MET 1 1HE MET 1 -3.212 13.762 -5.970 11 HE3 MET 1 2HE MET 1 -3.919 12.378 -5.131 12 H VAL 2 H VAL 2 2.273 11.397 -3.417 13 HA VAL 2 HA VAL 2 4.058 10.342 -5.420 14 HB VAL 2 HB VAL 2 3.701 9.492 -2.494 15 HG11 VAL 2 1HG1 VAL 2 5.965 8.511 -2.691 16 HG12 VAL 2 2HG1 VAL 2 6.024 8.962 -4.396 17 HG13 VAL 2 3HG1 VAL 2 4.852 7.766 -3.841 18 HG21 VAL 2 3HG2 VAL 2 4.291 11.879 -2.670 19 HG22 VAL 2 1HG2 VAL 2 5.679 11.477 -3.686 20 HG23 VAL 2 2HG2 VAL 2 5.636 10.955 -1.999 21 H ASP 3 H ASP 3 3.462 8.738 -6.747 22 HA ASP 3 HA ASP 3 1.079 7.122 -6.213 23 HB2 ASP 3 2HB ASP 3 1.295 8.073 -8.462 24 HB3 ASP 3 3HB ASP 3 2.867 7.311 -8.668 25 H LEU 4 H LEU 4 1.399 5.434 -4.949 26 HA LEU 4 HA LEU 4 3.838 3.777 -5.099 27 HB2 LEU 4 2HB LEU 4 1.578 3.745 -3.048 28 HB3 LEU 4 3HB LEU 4 3.102 2.885 -2.927 29 HG LEU 4 HG LEU 4 2.818 5.920 -2.870 30 HD11 LEU 4 1HD1 LEU 4 3.324 5.769 -0.468 31 HD12 LEU 4 2HD1 LEU 4 3.311 4.006 -0.562 32 HD13 LEU 4 3HD1 LEU 4 1.830 4.919 -0.861 33 HD21 LEU 4 3HD2 LEU 4 5.244 4.165 -2.384 34 HD22 LEU 4 1HD2 LEU 4 5.178 5.917 -2.166 35 HD23 LEU 4 2HD2 LEU 4 4.975 5.223 -3.771 36 H LYS 5 H LYS 5 3.538 2.241 -6.680 37 HA LYS 5 HA LYS 5 1.003 0.694 -6.734 38 HB2 LYS 5 2HB LYS 5 1.738 1.856 -8.848 39 HB3 LYS 5 3HB LYS 5 3.204 0.884 -8.848 40 HG2 LYS 5 2HG LYS 5 1.803 -1.169 -9.071 41 HG3 LYS 5 3HG LYS 5 0.360 -0.156 -9.131 42 HD2 LYS 5 2HD LYS 5 1.117 0.893 -11.203 43 HD3 LYS 5 3HD LYS 5 2.659 0.036 -11.125 44 HE2 LYS 5 2HE LYS 5 -0.029 -1.354 -11.396 45 HE3 LYS 5 3HE LYS 5 0.998 -0.921 -12.764 46 HZ1 LYS 5 3HZ LYS 5 2.716 -2.367 -11.932 47 HZ2 LYS 5 1HZ LYS 5 1.268 -3.235 -12.039 48 HZ3 LYS 5 2HZ LYS 5 1.825 -2.709 -10.535 49 H ILE 6 H ILE 6 1.177 -1.159 -5.557 50 HA ILE 6 HA ILE 6 3.857 -2.364 -5.115 51 HB ILE 6 HB ILE 6 1.366 -2.638 -3.344 52 HG12 ILE 6 2HG1 ILE 6 2.932 -1.414 -1.614 53 HG13 ILE 6 3HG1 ILE 6 3.849 -0.897 -3.017 54 HG21 ILE 6 1HG2 ILE 6 2.857 -3.833 -1.772 55 HG22 ILE 6 2HG2 ILE 6 4.191 -3.697 -2.913 56 HG23 ILE 6 3HG2 ILE 6 2.774 -4.668 -3.324 57 HD11 ILE 6 3HD1 ILE 6 1.877 0.276 -3.870 58 HD12 ILE 6 1HD1 ILE 6 2.326 0.831 -2.257 59 HD13 ILE 6 2HD1 ILE 6 0.952 -0.256 -2.464 60 H ASP 7 H ASP 7 4.149 -4.303 -6.139 61 HA ASP 7 HA ASP 7 2.060 -5.862 -7.342 62 HB2 ASP 7 2HB ASP 7 4.913 -6.645 -6.570 63 HB3 ASP 7 3HB ASP 7 3.842 -7.637 -7.552 64 H VAL 8 H VAL 8 0.687 -7.273 -6.323 65 HA VAL 8 HA VAL 8 1.492 -8.496 -3.753 66 HB VAL 8 HB VAL 8 -0.971 -8.437 -3.071 67 HG11 VAL 8 1HG1 VAL 8 -0.867 -6.144 -2.157 68 HG12 VAL 8 2HG1 VAL 8 0.445 -5.751 -3.273 69 HG13 VAL 8 3HG1 VAL 8 0.688 -6.968 -2.018 70 HG21 VAL 8 3HG2 VAL 8 -2.000 -7.923 -5.235 71 HG22 VAL 8 1HG2 VAL 8 -1.182 -6.361 -5.286 72 HG23 VAL 8 2HG2 VAL 8 -2.416 -6.670 -4.063 73 H SER 9 H SER 9 1.422 -10.630 -3.844 74 HA SER 9 HA SER 9 0.710 -11.991 -6.292 75 HB2 SER 9 2HB SER 9 1.784 -13.090 -3.652 76 HB3 SER 9 3HB SER 9 1.697 -13.977 -5.177 77 HG SER 9 HG SER 9 2.962 -11.585 -5.461 78 H ASP 10 H ASP 10 -0.649 -11.594 -3.108 79 HA ASP 10 HA ASP 10 -2.747 -13.632 -3.638 80 HB2 ASP 10 2HB ASP 10 -1.136 -14.232 -1.820 81 HB3 ASP 10 3HB ASP 10 -1.543 -12.749 -0.977 82 H ASP 11 H ASP 11 -4.862 -13.158 -2.717 83 HA ASP 11 HA ASP 11 -5.577 -10.398 -3.336 84 HB2 ASP 11 2HB ASP 11 -7.376 -12.809 -2.810 85 HB3 ASP 11 3HB ASP 11 -7.923 -11.232 -3.381 86 H GLU 12 H GLU 12 -5.931 -12.714 -0.654 87 HA GLU 12 HA GLU 12 -7.204 -10.988 1.206 88 HB2 GLU 12 2HB GLU 12 -7.177 -13.417 1.521 89 HB3 GLU 12 3HB GLU 12 -5.421 -13.425 1.647 90 HG2 GLU 12 2HG GLU 12 -5.565 -12.146 3.757 91 HG3 GLU 12 3HG GLU 12 -7.322 -12.117 3.628 92 H GLU 13 H GLU 13 -3.813 -11.577 0.372 93 HA GLU 13 HA GLU 13 -2.506 -9.957 2.276 94 HB2 GLU 13 2HB GLU 13 -1.258 -11.506 0.931 95 HB3 GLU 13 3HB GLU 13 -1.827 -10.779 -0.567 96 HG2 GLU 13 2HG GLU 13 -0.532 -8.720 -0.008 97 HG3 GLU 13 3HG GLU 13 0.103 -9.535 1.421 98 H ALA 14 H ALA 14 -3.746 -9.217 -0.982 99 HA ALA 14 HA ALA 14 -3.008 -6.524 -1.204 100 HB1 ALA 14 3HB ALA 14 -3.847 -7.873 -3.093 101 HB2 ALA 14 1HB ALA 14 -4.747 -6.365 -2.933 102 HB3 ALA 14 2HB ALA 14 -5.461 -7.884 -2.379 103 H GLU 15 H GLU 15 -6.065 -7.950 -0.068 104 HA GLU 15 HA GLU 15 -7.422 -5.618 0.680 105 HB2 GLU 15 2HB GLU 15 -7.647 -8.441 1.809 106 HB3 GLU 15 3HB GLU 15 -8.833 -7.166 2.060 107 HG2 GLU 15 2HG GLU 15 -8.100 -8.318 -0.648 108 HG3 GLU 15 3HG GLU 15 -9.475 -8.831 0.320 109 H LYS 16 H LYS 16 -5.164 -7.691 2.465 110 HA LYS 16 HA LYS 16 -5.467 -6.639 5.046 111 HB2 LYS 16 2HB LYS 16 -3.851 -8.626 3.774 112 HB3 LYS 16 3HB LYS 16 -2.698 -7.531 4.509 113 HG2 LYS 16 2HG LYS 16 -4.953 -8.950 5.961 114 HG3 LYS 16 3HG LYS 16 -3.263 -9.444 5.962 115 HD2 LYS 16 2HD LYS 16 -4.369 -6.858 7.131 116 HD3 LYS 16 3HD LYS 16 -3.805 -8.262 8.042 117 HE2 LYS 16 2HE LYS 16 -1.528 -7.931 7.109 118 HE3 LYS 16 3HE LYS 16 -2.099 -6.497 6.255 119 HZ1 LYS 16 3HZ LYS 16 -1.955 -6.890 9.185 120 HZ2 LYS 16 1HZ LYS 16 -2.703 -5.566 8.441 121 HZ3 LYS 16 2HZ LYS 16 -1.045 -5.819 8.245 122 H ILE 17 H ILE 17 -3.374 -5.672 2.340 123 HA ILE 17 HA ILE 17 -1.942 -3.591 3.614 124 HB ILE 17 HB ILE 17 -2.739 -3.784 0.660 125 HG12 ILE 17 2HG1 ILE 17 -1.511 -5.797 1.327 126 HG13 ILE 17 3HG1 ILE 17 -0.509 -4.818 0.268 127 HG21 ILE 17 1HG2 ILE 17 -0.785 -2.328 0.201 128 HG22 ILE 17 2HG2 ILE 17 -0.516 -2.152 1.935 129 HG23 ILE 17 3HG2 ILE 17 -1.992 -1.519 1.207 130 HD11 ILE 17 3HD1 ILE 17 0.792 -5.767 2.055 131 HD12 ILE 17 1HD1 ILE 17 -0.263 -5.046 3.268 132 HD13 ILE 17 2HD1 ILE 17 0.737 -4.016 2.238 133 H ILE 18 H ILE 18 -4.889 -3.513 1.558 134 HA ILE 18 HA ILE 18 -5.388 -0.760 1.609 135 HB ILE 18 HB ILE 18 -7.444 -3.012 1.353 136 HG12 ILE 18 2HG1 ILE 18 -5.887 -1.572 -0.850 137 HG13 ILE 18 3HG1 ILE 18 -5.556 -3.203 -0.286 138 HG21 ILE 18 1HG2 ILE 18 -7.616 -0.114 0.429 139 HG22 ILE 18 2HG2 ILE 18 -8.531 -0.838 1.754 140 HG23 ILE 18 3HG2 ILE 18 -8.815 -1.368 0.096 141 HD11 ILE 18 3HD1 ILE 18 -6.770 -3.229 -2.370 142 HD12 ILE 18 1HD1 ILE 18 -8.080 -2.289 -1.658 143 HD13 ILE 18 2HD1 ILE 18 -7.751 -3.927 -1.083 144 H ARG 19 H ARG 19 -6.384 -3.316 3.859 145 HA ARG 19 HA ARG 19 -8.216 -1.919 5.468 146 HB2 ARG 19 2HB ARG 19 -6.349 -4.247 6.111 147 HB3 ARG 19 3HB ARG 19 -7.492 -3.610 7.290 148 HG2 ARG 19 2HG ARG 19 -9.367 -4.206 5.841 149 HG3 ARG 19 3HG ARG 19 -8.259 -4.780 4.598 150 HD2 ARG 19 2HD ARG 19 -7.466 -6.563 6.100 151 HD3 ARG 19 3HD ARG 19 -8.517 -5.962 7.391 152 HE ARG 19 HE ARG 19 -10.009 -6.545 5.044 153 HH11 ARG 19 1HH1 ARG 19 -8.418 -8.186 7.704 154 HH12 ARG 19 2HH1 ARG 19 -9.463 -9.569 7.643 155 HH21 ARG 19 1HH2 ARG 19 -11.426 -8.331 5.012 156 HH22 ARG 19 2HH2 ARG 19 -11.168 -9.649 6.117 157 H GLU 20 H GLU 20 -4.734 -2.547 6.066 158 HA GLU 20 HA GLU 20 -4.707 -1.039 8.481 159 HB2 GLU 20 2HB GLU 20 -2.290 -1.474 8.510 160 HB3 GLU 20 3HB GLU 20 -3.210 -2.931 8.165 161 HG2 GLU 20 2HG GLU 20 -2.616 -2.815 5.812 162 HG3 GLU 20 3HG GLU 20 -1.813 -1.266 6.060 163 H ILE 21 H ILE 21 -3.787 -0.243 5.153 164 HA ILE 21 HA ILE 21 -2.519 2.237 5.710 165 HB ILE 21 HB ILE 21 -3.929 1.351 3.147 166 HG12 ILE 21 2HG1 ILE 21 -2.003 -0.089 3.721 167 HG13 ILE 21 3HG1 ILE 21 -1.652 0.859 2.287 168 HG21 ILE 21 1HG2 ILE 21 -2.065 3.727 3.552 169 HG22 ILE 21 2HG2 ILE 21 -3.793 3.806 3.199 170 HG23 ILE 21 3HG2 ILE 21 -2.675 3.163 1.997 171 HD11 ILE 21 3HD1 ILE 21 0.285 0.684 3.715 172 HD12 ILE 21 1HD1 ILE 21 -0.600 1.373 5.074 173 HD13 ILE 21 2HD1 ILE 21 -0.248 2.363 3.653 174 H ARG 22 H ARG 22 -5.929 1.332 5.083 175 HA ARG 22 HA ARG 22 -6.860 4.082 5.345 176 HB2 ARG 22 2HB ARG 22 -8.386 1.461 5.090 177 HB3 ARG 22 3HB ARG 22 -9.152 3.049 5.160 178 HG2 ARG 22 2HG ARG 22 -7.999 3.728 3.090 179 HG3 ARG 22 3HG ARG 22 -7.172 2.169 3.028 180 HD2 ARG 22 2HD ARG 22 -9.011 2.127 1.463 181 HD3 ARG 22 3HD ARG 22 -9.401 1.046 2.802 182 HE ARG 22 HE ARG 22 -10.527 3.540 3.384 183 HH11 ARG 22 1HH1 ARG 22 -10.975 1.012 0.953 184 HH12 ARG 22 2HH1 ARG 22 -12.647 1.399 0.698 185 HH21 ARG 22 1HH2 ARG 22 -12.742 3.997 3.035 186 HH22 ARG 22 2HH2 ARG 22 -13.645 3.079 1.868 187 H GLU 23 H GLU 23 -6.151 1.557 7.601 188 HA GLU 23 HA GLU 23 -7.852 2.504 9.728 189 HB2 GLU 23 2HB GLU 23 -5.343 0.775 9.791 190 HB3 GLU 23 3HB GLU 23 -6.281 1.166 11.225 191 HG2 GLU 23 2HG GLU 23 -7.294 -0.376 8.828 192 HG3 GLU 23 3HG GLU 23 -6.798 -1.079 10.359 193 H GLN 24 H GLN 24 -4.562 3.160 8.656 194 HA GLN 24 HA GLN 24 -3.957 4.956 10.897 195 HB2 GLN 24 2HB GLN 24 -2.283 4.304 8.430 196 HB3 GLN 24 3HB GLN 24 -1.717 5.088 9.902 197 HG2 GLN 24 2HG GLN 24 -1.961 3.053 11.179 198 HG3 GLN 24 3HG GLN 24 -2.812 2.263 9.848 199 HE21 GLN 24 1HE2 GLN 24 -1.608 1.603 8.009 200 HE22 GLN 24 2HE2 GLN 24 0.100 1.369 8.097 201 H TRP 25 H TRP 25 -4.382 5.074 7.390 202 HA TRP 25 HA TRP 25 -4.916 8.001 7.465 203 HB2 TRP 25 2HB TRP 25 -3.620 6.491 5.141 204 HB3 TRP 25 3HB TRP 25 -3.811 8.235 5.304 205 HD1 TRP 25 HD1 TRP 25 -2.188 9.430 7.232 206 HE1 TRP 25 HE1 TRP 25 0.147 8.755 8.058 207 HE3 TRP 25 HE3 TRP 25 -2.077 4.587 5.563 208 HZ2 TRP 25 HZ2 TRP 25 1.823 6.497 8.011 209 HZ3 TRP 25 HZ3 TRP 25 -0.064 3.234 5.993 210 HH2 TRP 25 HH2 TRP 25 1.848 4.175 7.192 211 HA PRO 26 HA PRO 26 -8.654 5.688 5.886 212 HB2 PRO 26 2HB PRO 26 -10.588 7.203 7.067 213 HB3 PRO 26 3HB PRO 26 -9.633 6.017 7.980 214 HG2 PRO 26 2HG PRO 26 -9.243 8.990 7.811 215 HG3 PRO 26 3HG PRO 26 -9.237 7.942 9.248 216 HD2 PRO 26 2HD PRO 26 -6.935 8.774 8.032 217 HD3 PRO 26 3HD PRO 26 -7.058 7.215 8.877 218 H LYS 27 H LYS 27 -7.588 8.889 5.374 219 HA LYS 27 HA LYS 27 -9.434 9.293 3.093 220 HB2 LYS 27 2HB LYS 27 -9.047 11.752 3.411 221 HB3 LYS 27 3HB LYS 27 -9.941 10.977 4.710 222 HG2 LYS 27 2HG LYS 27 -7.901 10.970 6.121 223 HG3 LYS 27 3HG LYS 27 -7.002 11.749 4.810 224 HD2 LYS 27 2HD LYS 27 -7.724 13.421 6.488 225 HD3 LYS 27 3HD LYS 27 -8.501 13.713 4.931 226 HE2 LYS 27 2HE LYS 27 -10.522 12.433 5.836 227 HE3 LYS 27 3HE LYS 27 -9.739 12.486 7.417 228 HZ1 LYS 27 3HZ LYS 27 -9.742 14.895 7.296 229 HZ2 LYS 27 1HZ LYS 27 -11.313 14.288 7.146 230 HZ3 LYS 27 2HZ LYS 27 -10.491 14.847 5.780 231 H ALA 28 H ALA 28 -7.139 7.733 2.874 232 HA ALA 28 HA ALA 28 -5.257 9.372 1.273 233 HB1 ALA 28 3HB ALA 28 -4.674 6.763 2.752 234 HB2 ALA 28 1HB ALA 28 -4.025 8.351 3.161 235 HB3 ALA 28 2HB ALA 28 -3.566 7.577 1.644 236 H THR 29 H THR 29 -5.632 8.882 -0.931 237 HA THR 29 HA THR 29 -7.747 7.156 -1.581 238 HB THR 29 HB THR 29 -5.697 8.344 -3.490 239 HG1 THR 29 HG1 THR 29 -7.487 9.988 -3.645 240 HG21 THR 29 3HG2 THR 29 -7.547 8.277 -5.138 241 HG22 THR 29 1HG2 THR 29 -8.586 7.490 -3.948 242 HG23 THR 29 2HG2 THR 29 -7.151 6.659 -4.557 243 H VAL 30 H VAL 30 -7.498 5.007 -1.261 244 HA VAL 30 HA VAL 30 -5.308 3.553 -2.650 245 HB VAL 30 HB VAL 30 -7.086 2.445 -0.409 246 HG11 VAL 30 1HG1 VAL 30 -4.516 1.351 -1.623 247 HG12 VAL 30 2HG1 VAL 30 -6.142 0.722 -1.894 248 HG13 VAL 30 3HG1 VAL 30 -5.418 0.625 -0.288 249 HG21 VAL 30 3HG2 VAL 30 -5.715 4.280 0.497 250 HG22 VAL 30 1HG2 VAL 30 -4.253 3.520 -0.134 251 HG23 VAL 30 2HG2 VAL 30 -5.187 2.723 1.136 252 H THR 31 H THR 31 -5.955 2.604 -4.465 253 HA THR 31 HA THR 31 -8.800 2.148 -5.057 254 HB THR 31 HB THR 31 -6.342 1.907 -6.862 255 HG1 THR 31 HG1 THR 31 -7.243 4.064 -6.014 256 HG21 THR 31 3HG2 THR 31 -9.301 1.822 -7.594 257 HG22 THR 31 1HG2 THR 31 -8.175 0.463 -7.690 258 HG23 THR 31 2HG2 THR 31 -7.964 1.861 -8.745 259 H ARG 32 H ARG 32 -9.664 0.051 -5.335 260 HA ARG 32 HA ARG 32 -8.159 -2.081 -4.070 261 HB2 ARG 32 2HB ARG 32 -10.608 -1.624 -3.566 262 HB3 ARG 32 3HB ARG 32 -10.986 -2.145 -5.205 263 HG2 ARG 32 2HG ARG 32 -10.004 -4.383 -4.682 264 HG3 ARG 32 3HG ARG 32 -9.724 -3.838 -3.027 265 HD2 ARG 32 2HD ARG 32 -12.205 -3.463 -2.803 266 HD3 ARG 32 3HD ARG 32 -12.406 -4.192 -4.404 267 HE ARG 32 HE ARG 32 -11.111 -5.644 -2.182 268 HH11 ARG 32 1HH1 ARG 32 -13.627 -5.569 -4.636 269 HH12 ARG 32 2HH1 ARG 32 -14.106 -7.213 -4.347 270 HH21 ARG 32 1HH2 ARG 32 -11.728 -7.764 -1.828 271 HH22 ARG 32 2HH2 ARG 32 -13.027 -8.459 -2.754 272 H THR 33 H THR 33 -6.954 -3.446 -5.275 273 HA THR 33 HA THR 33 -7.498 -3.873 -8.101 274 HB THR 33 HB THR 33 -4.905 -3.433 -8.510 275 HG1 THR 33 HG1 THR 33 -4.709 -2.920 -6.140 276 HG21 THR 33 3HG2 THR 33 -6.664 -2.106 -9.636 277 HG22 THR 33 1HG2 THR 33 -5.313 -1.080 -9.151 278 HG23 THR 33 2HG2 THR 33 -6.807 -1.073 -8.212 279 H ASN 34 H ASN 34 -6.942 -5.888 -8.695 280 HA ASN 34 HA ASN 34 -5.736 -7.688 -6.684 281 HB2 ASN 34 2HB ASN 34 -7.330 -8.365 -9.196 282 HB3 ASN 34 3HB ASN 34 -6.739 -9.524 -8.004 283 HD21 ASN 34 1HD2 ASN 34 -7.740 -9.549 -5.917 284 HD22 ASN 34 2HD2 ASN 34 -9.310 -8.871 -5.673 285 H GLY 35 H GLY 35 -3.689 -8.279 -6.975 286 HA2 GLY 35 2HA GLY 35 -1.859 -9.152 -8.248 287 HA3 GLY 35 3HA GLY 35 -2.442 -8.287 -9.663 288 H ASP 36 H ASP 36 -2.973 -5.837 -8.082 289 HA ASP 36 HA ASP 36 -0.299 -4.962 -7.214 290 HB2 ASP 36 2HB ASP 36 -2.025 -3.472 -9.251 291 HB3 ASP 36 3HB ASP 36 -0.610 -2.779 -8.462 292 H ILE 37 H ILE 37 -0.492 -2.737 -6.148 293 HA ILE 37 HA ILE 37 -3.153 -2.088 -5.055 294 HB ILE 37 HB ILE 37 -0.611 -2.445 -3.374 295 HG12 ILE 37 2HG1 ILE 37 -2.029 -4.459 -3.563 296 HG13 ILE 37 3HG1 ILE 37 -2.091 -3.841 -1.916 297 HG21 ILE 37 1HG2 ILE 37 -3.122 -0.932 -2.523 298 HG22 ILE 37 2HG2 ILE 37 -1.510 -0.248 -2.743 299 HG23 ILE 37 3HG2 ILE 37 -1.806 -1.402 -1.445 300 HD11 ILE 37 3HD1 ILE 37 -4.290 -2.794 -2.445 301 HD12 ILE 37 1HD1 ILE 37 -4.281 -4.550 -2.609 302 HD13 ILE 37 2HD1 ILE 37 -4.213 -3.536 -4.046 303 H LYS 38 H LYS 38 -3.505 -0.180 -5.988 304 HA LYS 38 HA LYS 38 -1.323 1.746 -6.377 305 HB2 LYS 38 2HB LYS 38 -4.226 1.776 -7.316 306 HB3 LYS 38 3HB LYS 38 -3.031 3.019 -7.691 307 HG2 LYS 38 2HG LYS 38 -1.619 1.272 -8.805 308 HG3 LYS 38 3HG LYS 38 -2.920 0.106 -8.538 309 HD2 LYS 38 2HD LYS 38 -4.438 1.429 -9.947 310 HD3 LYS 38 3HD LYS 38 -3.198 2.674 -10.153 311 HE2 LYS 38 2HE LYS 38 -1.746 1.032 -11.295 312 HE3 LYS 38 3HE LYS 38 -2.992 -0.202 -11.105 313 HZ1 LYS 38 3HZ LYS 38 -3.286 2.318 -12.641 314 HZ2 LYS 38 1HZ LYS 38 -4.466 1.121 -12.477 315 HZ3 LYS 38 2HZ LYS 38 -3.027 0.783 -13.301 316 H LEU 39 H LEU 39 -1.098 3.527 -5.187 317 HA LEU 39 HA LEU 39 -3.019 4.226 -3.065 318 HB2 LEU 39 2HB LEU 39 -1.138 2.423 -2.457 319 HB3 LEU 39 3HB LEU 39 -0.071 3.805 -2.424 320 HG LEU 39 HG LEU 39 -2.480 3.362 -0.606 321 HD11 LEU 39 1HD1 LEU 39 -0.651 1.853 -0.073 322 HD12 LEU 39 2HD1 LEU 39 -0.793 3.079 1.182 323 HD13 LEU 39 3HD1 LEU 39 0.497 3.196 -0.018 324 HD21 LEU 39 3HD2 LEU 39 -0.464 5.633 -0.519 325 HD22 LEU 39 1HD2 LEU 39 -1.725 5.316 0.676 326 HD23 LEU 39 2HD2 LEU 39 -2.166 5.767 -0.969 327 H ASP 40 H ASP 40 -2.900 6.422 -2.564 328 HA ASP 40 HA ASP 40 -0.888 8.087 -3.982 329 HB2 ASP 40 2HB ASP 40 -3.790 8.789 -3.339 330 HB3 ASP 40 3HB ASP 40 -2.620 9.864 -4.105 331 H ALA 41 H ALA 41 0.532 8.453 -2.405 332 HA ALA 41 HA ALA 41 -0.212 9.289 0.296 333 HB1 ALA 41 3HB ALA 41 1.758 7.849 -0.022 334 HB2 ALA 41 1HB ALA 41 2.230 9.397 0.683 335 HB3 ALA 41 2HB ALA 41 2.521 9.079 -1.031 336 H GLN 42 H GLN 42 -0.291 11.403 1.001 337 HA GLN 42 HA GLN 42 -0.401 13.534 -0.896 338 HB2 GLN 42 2HB GLN 42 -0.721 15.038 1.014 339 HB3 GLN 42 3HB GLN 42 -1.692 13.585 1.220 340 HG2 GLN 42 2HG GLN 42 -0.045 12.681 2.798 341 HG3 GLN 42 3HG GLN 42 0.970 14.102 2.576 342 HE21 GLN 42 1HE2 GLN 42 -0.240 13.047 5.012 343 HE22 GLN 42 2HE2 GLN 42 -1.185 14.335 5.663 344 H THR 43 H THR 43 2.164 12.303 1.147 345 HA THR 43 HA THR 43 4.153 14.119 -0.052 346 HB THR 43 HB THR 43 5.226 14.393 2.265 347 HG1 THR 43 HG1 THR 43 2.808 13.986 3.556 348 HG21 THR 43 3HG2 THR 43 3.958 16.279 1.261 349 HG22 THR 43 1HG2 THR 43 3.774 16.233 3.016 350 HG23 THR 43 2HG2 THR 43 2.470 15.656 1.980 351 H GLU 44 H GLU 44 6.359 13.421 0.435 352 HA GLU 44 HA GLU 44 6.842 10.654 0.039 353 HB2 GLU 44 2HB GLU 44 8.354 12.286 -0.915 354 HB3 GLU 44 3HB GLU 44 8.646 13.034 0.651 355 HG2 GLU 44 2HG GLU 44 10.563 11.683 -0.203 356 HG3 GLU 44 3HG GLU 44 9.988 11.179 1.381 357 H LYS 45 H LYS 45 7.031 12.815 2.833 358 HA LYS 45 HA LYS 45 8.311 11.127 4.689 359 HB2 LYS 45 2HB LYS 45 8.093 13.561 4.975 360 HB3 LYS 45 3HB LYS 45 6.344 13.413 5.123 361 HG2 LYS 45 2HG LYS 45 6.628 12.150 7.242 362 HG3 LYS 45 3HG LYS 45 8.383 12.282 7.083 363 HD2 LYS 45 2HD LYS 45 7.478 13.961 8.671 364 HD3 LYS 45 3HD LYS 45 8.249 14.730 7.281 365 HE2 LYS 45 2HE LYS 45 5.998 15.075 6.258 366 HE3 LYS 45 3HE LYS 45 5.257 14.352 7.684 367 HZ1 LYS 45 3HZ LYS 45 6.933 16.801 7.718 368 HZ2 LYS 45 1HZ LYS 45 6.104 16.129 9.025 369 HZ3 LYS 45 2HZ LYS 45 5.243 16.783 7.727 370 H GLU 46 H GLU 46 4.959 11.263 3.607 371 HA GLU 46 HA GLU 46 3.927 9.572 5.754 372 HB2 GLU 46 2HB GLU 46 2.531 11.397 4.818 373 HB3 GLU 46 3HB GLU 46 2.614 10.660 3.223 374 HG2 GLU 46 2HG GLU 46 1.369 8.703 4.048 375 HG3 GLU 46 3HG GLU 46 1.317 9.395 5.667 376 H ALA 47 H ALA 47 4.710 9.470 2.287 377 HA ALA 47 HA ALA 47 4.001 6.858 1.627 378 HB1 ALA 47 3HB ALA 47 6.338 8.447 0.512 379 HB2 ALA 47 1HB ALA 47 4.663 8.560 -0.030 380 HB3 ALA 47 2HB ALA 47 5.556 7.056 -0.250 381 H GLU 48 H GLU 48 6.870 8.045 3.320 382 HA GLU 48 HA GLU 48 8.555 5.807 3.229 383 HB2 GLU 48 2HB GLU 48 8.165 7.778 5.533 384 HB3 GLU 48 3HB GLU 48 9.505 6.641 5.397 385 HG2 GLU 48 2HG GLU 48 10.124 7.804 3.222 386 HG3 GLU 48 3HG GLU 48 8.931 9.029 3.639 387 H LYS 49 H LYS 49 5.823 6.545 5.299 388 HA LYS 49 HA LYS 49 6.195 4.314 7.122 389 HB2 LYS 49 2HB LYS 49 3.845 6.241 6.868 390 HB3 LYS 49 3HB LYS 49 4.250 5.237 8.261 391 HG2 LYS 49 2HG LYS 49 6.259 6.543 8.705 392 HG3 LYS 49 3HG LYS 49 6.035 7.457 7.209 393 HD2 LYS 49 2HD LYS 49 5.339 8.770 9.167 394 HD3 LYS 49 3HD LYS 49 3.978 8.449 8.090 395 HE2 LYS 49 2HE LYS 49 3.325 8.180 10.441 396 HE3 LYS 49 3HE LYS 49 3.216 6.639 9.592 397 HZ1 LYS 49 3HZ LYS 49 4.227 6.391 11.772 398 HZ2 LYS 49 1HZ LYS 49 5.446 7.490 11.364 399 HZ3 LYS 49 2HZ LYS 49 5.344 6.008 10.561 400 H MET 50 H MET 50 4.036 5.304 4.597 401 HA MET 50 HA MET 50 2.156 3.226 4.530 402 HB2 MET 50 2HB MET 50 3.203 4.965 2.266 403 HB3 MET 50 3HB MET 50 1.906 3.795 2.030 404 HG2 MET 50 2HG MET 50 0.576 4.949 3.764 405 HG3 MET 50 3HG MET 50 1.861 6.153 3.917 406 HE1 MET 50 3HE MET 50 -1.432 6.352 3.016 407 HE2 MET 50 1HE MET 50 -1.264 7.785 2.004 408 HE3 MET 50 2HE MET 50 -0.429 7.703 3.556 409 H GLU 51 H GLU 51 5.003 3.470 2.335 410 HA GLU 51 HA GLU 51 4.976 0.881 1.338 411 HB2 GLU 51 2HB GLU 51 7.219 1.266 0.565 412 HB3 GLU 51 3HB GLU 51 6.396 2.821 0.518 413 HG2 GLU 51 2HG GLU 51 7.461 3.384 2.709 414 HG3 GLU 51 3HG GLU 51 8.377 1.886 2.614 415 H LYS 52 H LYS 52 6.319 2.072 4.373 416 HA LYS 52 HA LYS 52 7.970 -0.163 5.044 417 HB2 LYS 52 2HB LYS 52 8.297 2.084 6.005 418 HB3 LYS 52 3HB LYS 52 6.751 1.981 6.835 419 HG2 LYS 52 2HG LYS 52 7.564 0.297 8.339 420 HG3 LYS 52 3HG LYS 52 9.020 0.034 7.377 421 HD2 LYS 52 2HD LYS 52 8.364 2.618 8.852 422 HD3 LYS 52 3HD LYS 52 9.455 1.366 9.450 423 HE2 LYS 52 2HE LYS 52 10.939 1.721 7.501 424 HE3 LYS 52 3HE LYS 52 9.839 2.959 6.888 425 HZ1 LYS 52 3HZ LYS 52 10.289 4.285 8.855 426 HZ2 LYS 52 1HZ LYS 52 11.728 3.918 8.046 427 HZ3 LYS 52 2HZ LYS 52 11.321 3.088 9.460 428 H ALA 53 H ALA 53 4.672 0.775 5.765 429 HA ALA 53 HA ALA 53 3.881 -1.256 7.530 430 HB1 ALA 53 3HB ALA 53 2.573 0.781 7.168 431 HB2 ALA 53 1HB ALA 53 1.580 -0.635 6.821 432 HB3 ALA 53 2HB ALA 53 2.255 0.318 5.494 433 H VAL 54 H VAL 54 3.629 -1.001 3.990 434 HA VAL 54 HA VAL 54 2.397 -3.444 3.412 435 HB VAL 54 HB VAL 54 4.389 -1.897 1.688 436 HG11 VAL 54 1HG1 VAL 54 3.310 -2.985 -0.241 437 HG12 VAL 54 2HG1 VAL 54 2.299 -3.934 0.848 438 HG13 VAL 54 3HG1 VAL 54 4.047 -4.173 0.836 439 HG21 VAL 54 3HG2 VAL 54 2.516 -0.467 2.396 440 HG22 VAL 54 1HG2 VAL 54 1.356 -1.658 1.804 441 HG23 VAL 54 2HG2 VAL 54 2.411 -0.811 0.670 442 H LYS 55 H LYS 55 5.874 -2.639 3.490 443 HA LYS 55 HA LYS 55 7.008 -5.105 2.858 444 HB2 LYS 55 2HB LYS 55 8.113 -2.944 4.694 445 HB3 LYS 55 3HB LYS 55 9.070 -4.257 4.010 446 HG2 LYS 55 2HG LYS 55 8.761 -3.403 1.766 447 HG3 LYS 55 3HG LYS 55 7.616 -2.186 2.338 448 HD2 LYS 55 2HD LYS 55 9.469 -1.161 3.707 449 HD3 LYS 55 3HD LYS 55 10.591 -2.319 2.987 450 HE2 LYS 55 2HE LYS 55 10.096 -1.380 0.744 451 HE3 LYS 55 3HE LYS 55 8.995 -0.215 1.483 452 HZ1 LYS 55 3HZ LYS 55 11.131 0.782 1.060 453 HZ2 LYS 55 1HZ LYS 55 11.918 -0.410 1.972 454 HZ3 LYS 55 2HZ LYS 55 10.874 0.684 2.722 455 H LYS 56 H LYS 56 5.651 -4.076 5.935 456 HA LYS 56 HA LYS 56 6.785 -6.181 7.551 457 HB2 LYS 56 2HB LYS 56 4.432 -4.305 8.015 458 HB3 LYS 56 3HB LYS 56 5.039 -5.422 9.232 459 HG2 LYS 56 2HG LYS 56 6.728 -3.249 7.961 460 HG3 LYS 56 3HG LYS 56 5.842 -3.040 9.469 461 HD2 LYS 56 2HD LYS 56 7.954 -5.187 9.038 462 HD3 LYS 56 3HD LYS 56 8.294 -3.607 9.741 463 HE2 LYS 56 2HE LYS 56 6.361 -5.651 10.888 464 HE3 LYS 56 3HE LYS 56 7.991 -5.332 11.483 465 HZ1 LYS 56 3HZ LYS 56 5.712 -3.424 11.473 466 HZ2 LYS 56 1HZ LYS 56 7.294 -3.036 11.948 467 HZ3 LYS 56 2HZ LYS 56 6.403 -4.171 12.819 468 H VAL 57 H VAL 57 3.869 -5.809 5.641 469 HA VAL 57 HA VAL 57 2.549 -8.229 6.533 470 HB VAL 57 HB VAL 57 2.051 -6.494 4.058 471 HG11 VAL 57 1HG1 VAL 57 -0.199 -7.504 3.989 472 HG12 VAL 57 2HG1 VAL 57 0.219 -8.557 5.341 473 HG13 VAL 57 3HG1 VAL 57 1.053 -8.734 3.795 474 HG21 VAL 57 3HG2 VAL 57 0.706 -6.397 6.779 475 HG22 VAL 57 1HG2 VAL 57 0.245 -5.447 5.364 476 HG23 VAL 57 2HG2 VAL 57 1.819 -5.194 6.120 477 H LYS 58 H LYS 58 4.882 -7.340 4.110 478 HA LYS 58 HA LYS 58 5.126 -10.014 3.055 479 HB2 LYS 58 2HB LYS 58 4.738 -9.283 0.652 480 HB3 LYS 58 3HB LYS 58 3.293 -9.400 1.645 481 HG2 LYS 58 2HG LYS 58 3.312 -6.925 1.928 482 HG3 LYS 58 3HG LYS 58 4.723 -6.832 0.879 483 HD2 LYS 58 2HD LYS 58 2.007 -7.912 0.030 484 HD3 LYS 58 3HD LYS 58 2.569 -6.269 -0.271 485 HE2 LYS 58 2HE LYS 58 2.934 -7.455 -2.295 486 HE3 LYS 58 3HE LYS 58 4.520 -7.313 -1.555 487 HZ1 LYS 58 3HZ LYS 58 2.780 -9.717 -1.500 488 HZ2 LYS 58 1HZ LYS 58 4.307 -9.612 -0.792 489 HZ3 LYS 58 2HZ LYS 58 4.146 -9.514 -2.466 490 HA PRO 59 HA PRO 59 9.315 -8.043 3.345 491 HB2 PRO 59 2HB PRO 59 9.918 -10.918 2.617 492 HB3 PRO 59 3HB PRO 59 10.707 -9.862 3.813 493 HG2 PRO 59 2HG PRO 59 9.011 -11.719 4.636 494 HG3 PRO 59 3HG PRO 59 8.980 -10.101 5.378 495 HD2 PRO 59 2HD PRO 59 7.086 -11.290 3.359 496 HD3 PRO 59 3HD PRO 59 6.744 -10.221 4.739 497 H ASN 60 H ASN 60 7.919 -9.983 0.707 498 HA ASN 60 HA ASN 60 9.878 -8.958 -1.235 499 HB2 ASN 60 2HB ASN 60 9.063 -11.447 -1.103 500 HB3 ASN 60 3HB ASN 60 7.578 -10.866 -1.845 501 HD21 ASN 60 1HD2 ASN 60 7.687 -10.063 -4.013 502 HD22 ASN 60 2HD2 ASN 60 9.011 -10.442 -5.049 503 H ALA 61 H ALA 61 7.807 -7.219 0.093 504 HA ALA 61 HA ALA 61 5.923 -6.316 -1.776 505 HB1 ALA 61 3HB ALA 61 6.027 -4.157 -0.593 506 HB2 ALA 61 1HB ALA 61 7.521 -4.656 0.208 507 HB3 ALA 61 2HB ALA 61 6.010 -5.501 0.550 508 H THR 62 H THR 62 6.428 -5.933 -3.890 509 HA THR 62 HA THR 62 8.855 -4.406 -4.578 510 HB THR 62 HB THR 62 6.809 -5.700 -6.443 511 HG1 THR 62 HG1 THR 62 9.205 -6.921 -6.459 512 HG21 THR 62 3HG2 THR 62 9.603 -4.610 -7.003 513 HG22 THR 62 1HG2 THR 62 8.083 -3.886 -7.542 514 HG23 THR 62 2HG2 THR 62 8.581 -5.460 -8.165 515 H ILE 63 H ILE 63 8.469 -2.342 -4.120 516 HA ILE 63 HA ILE 63 5.824 -1.122 -4.612 517 HB ILE 63 HB ILE 63 8.092 -0.216 -2.753 518 HG12 ILE 63 2HG1 ILE 63 5.442 -1.498 -1.963 519 HG13 ILE 63 3HG1 ILE 63 6.925 -2.422 -2.147 520 HG21 ILE 63 1HG2 ILE 63 6.430 1.346 -1.789 521 HG22 ILE 63 2HG2 ILE 63 5.232 0.822 -2.972 522 HG23 ILE 63 3HG2 ILE 63 6.680 1.678 -3.506 523 HD11 ILE 63 3HD1 ILE 63 6.505 -1.969 0.152 524 HD12 ILE 63 1HD1 ILE 63 6.394 -0.238 -0.156 525 HD13 ILE 63 2HD1 ILE 63 7.933 -1.076 -0.366 526 H ARG 64 H ARG 64 5.677 0.287 -6.203 527 HA ARG 64 HA ARG 64 8.103 1.212 -7.629 528 HB2 ARG 64 2HB ARG 64 5.214 1.090 -8.641 529 HB3 ARG 64 3HB ARG 64 6.648 1.463 -9.596 530 HG2 ARG 64 2HG ARG 64 7.482 -0.835 -9.288 531 HG3 ARG 64 3HG ARG 64 6.094 -1.205 -8.261 532 HD2 ARG 64 2HD ARG 64 5.613 -2.114 -10.413 533 HD3 ARG 64 3HD ARG 64 4.603 -0.681 -10.238 534 HE ARG 64 HE ARG 64 7.005 -0.944 -11.942 535 HH11 ARG 64 1HH1 ARG 64 4.137 0.918 -11.083 536 HH12 ARG 64 2HH1 ARG 64 4.242 1.943 -12.482 537 HH21 ARG 64 1HH2 ARG 64 7.114 0.381 -13.759 538 HH22 ARG 64 2HH2 ARG 64 5.932 1.635 -14.000 539 H LYS 65 H LYS 65 8.633 3.178 -6.926 540 HA LYS 65 HA LYS 65 6.567 5.059 -5.951 541 HB2 LYS 65 2HB LYS 65 9.546 4.945 -5.320 542 HB3 LYS 65 3HB LYS 65 8.424 6.152 -4.706 543 HG2 LYS 65 2HG LYS 65 7.126 4.233 -3.618 544 HG3 LYS 65 3HG LYS 65 8.485 3.191 -4.054 545 HD2 LYS 65 2HD LYS 65 8.694 3.991 -1.721 546 HD3 LYS 65 3HD LYS 65 10.014 4.600 -2.723 547 HE2 LYS 65 2HE LYS 65 8.726 6.763 -2.972 548 HE3 LYS 65 3HE LYS 65 7.555 6.132 -1.808 549 HZ1 LYS 65 3HZ LYS 65 10.447 6.482 -1.249 550 HZ2 LYS 65 1HZ LYS 65 9.245 6.039 -0.154 551 HZ3 LYS 65 2HZ LYS 65 9.234 7.578 -0.820 552 H THR 66 H THR 66 6.729 7.257 -6.464 553 HA THR 66 HA THR 66 8.663 8.289 -8.305 554 HB THR 66 HB THR 66 7.172 7.187 -9.949 555 HG1 THR 66 HG1 THR 66 8.121 9.107 -10.614 556 HG21 THR 66 3HG2 THR 66 4.951 8.975 -8.887 557 HG22 THR 66 1HG2 THR 66 5.041 7.224 -8.682 558 HG23 THR 66 2HG2 THR 66 4.845 7.916 -10.294 559 H GLY 67 H GLY 67 8.898 10.421 -7.926 560 HA2 GLY 67 2HA GLY 67 7.432 11.657 -5.763 561 HA3 GLY 67 3HA GLY 67 8.813 12.319 -6.624 562 H GLY 68 H GLY 68 5.342 11.635 -7.006 563 HA2 GLY 68 2HA GLY 68 5.019 13.513 -9.210 564 HA3 GLY 68 3HA GLY 68 3.772 12.525 -8.464 565 H SER 69 H SER 69 5.954 15.197 -7.498 566 HA SER 69 HA SER 69 3.945 16.261 -5.646 567 HB2 SER 69 2HB SER 69 6.285 16.069 -4.870 568 HB3 SER 69 3HB SER 69 6.835 17.094 -6.193 569 HG SER 69 HG SER 69 6.659 18.397 -4.448 570 H LEU 70 H LEU 70 2.409 17.010 -7.165 571 HA LEU 70 HA LEU 70 3.020 19.034 -9.133 572 HB2 LEU 70 2HB LEU 70 0.410 17.859 -8.100 573 HB3 LEU 70 3HB LEU 70 0.416 19.239 -9.183 574 HG LEU 70 HG LEU 70 0.009 17.286 -10.527 575 HD11 LEU 70 1HD1 LEU 70 2.901 18.102 -10.961 576 HD12 LEU 70 2HD1 LEU 70 1.480 18.966 -11.552 577 HD13 LEU 70 3HD1 LEU 70 1.834 17.347 -12.150 578 HD21 LEU 70 3HD2 LEU 70 2.511 16.005 -9.363 579 HD22 LEU 70 1HD2 LEU 70 1.496 15.324 -10.639 580 HD23 LEU 70 2HD2 LEU 70 0.845 15.538 -9.015 581 H GLU 71 H GLU 71 2.757 21.198 -8.974 582 HA GLU 71 HA GLU 71 3.224 22.365 -6.401 583 HB2 GLU 71 2HB GLU 71 2.752 23.696 -9.106 584 HB3 GLU 71 3HB GLU 71 3.450 24.476 -7.687 585 HG2 GLU 71 2HG GLU 71 5.455 23.172 -7.834 586 HG3 GLU 71 3HG GLU 71 4.727 22.071 -9.003 587 H HIS 72 H HIS 72 1.548 22.798 -4.991 588 HA HIS 72 HA HIS 72 -0.902 24.096 -6.022 589 HB2 HIS 72 2HB HIS 72 -1.798 23.913 -3.710 590 HB3 HIS 72 3HB HIS 72 -1.361 22.352 -4.383 591 HD1 HIS 72 HD1 HIS 72 -0.649 24.654 -1.572 592 HD2 HIS 72 HD2 HIS 72 0.874 21.091 -3.085 593 HE1 HIS 72 HE1 HIS 72 0.794 23.711 0.244 594 HE2 HIS 72 HE2 HIS 72 1.825 21.643 -0.747 595 H HIS 73 H HIS 73 0.327 25.859 -6.782 596 HA HIS 73 HA HIS 73 1.871 27.473 -4.839 597 HB2 HIS 73 2HB HIS 73 3.063 26.445 -6.813 598 HB3 HIS 73 3HB HIS 73 2.056 27.400 -7.895 599 HD1 HIS 73 HD1 HIS 73 2.950 29.653 -8.513 600 HD2 HIS 73 HD2 HIS 73 4.797 28.154 -5.108 601 HE1 HIS 73 HE1 HIS 73 4.794 31.273 -7.974 602 HE2 HIS 73 HE2 HIS 73 5.849 30.376 -5.881 603 H HIS 74 H HIS 74 -1.189 27.584 -5.673 604 HA HIS 74 HA HIS 74 -1.554 30.269 -6.671 605 HB2 HIS 74 2HB HIS 74 -3.461 28.316 -5.318 606 HB3 HIS 74 3HB HIS 74 -3.957 29.954 -5.733 607 HD1 HIS 74 HD1 HIS 74 -5.504 29.628 -7.655 608 HD2 HIS 74 HD2 HIS 74 -2.042 27.376 -8.080 609 HE1 HIS 74 HE1 HIS 74 -5.674 28.548 -9.909 610 HE2 HIS 74 HE2 HIS 74 -3.632 27.098 -10.093 611 H HIS 75 H HIS 75 -0.637 29.013 -3.628 612 HA HIS 75 HA HIS 75 0.034 29.972 -1.689 613 HB2 HIS 75 2HB HIS 75 0.708 31.976 -3.038 614 HB3 HIS 75 3HB HIS 75 -0.904 32.640 -2.853 615 HD1 HIS 75 HD1 HIS 75 -1.120 34.295 -1.063 616 HD2 HIS 75 HD2 HIS 75 2.012 31.686 -0.320 617 HE1 HIS 75 HE1 HIS 75 -0.064 35.113 1.049 618 HE2 HIS 75 HE2 HIS 75 1.936 33.631 1.376 619 H HIS 76 H HIS 76 -2.923 29.384 -2.612 620 HA HIS 76 HA HIS 76 -4.320 30.282 -0.149 621 HB2 HIS 76 2HB HIS 76 -5.394 29.725 -2.954 622 HB3 HIS 76 3HB HIS 76 -6.429 29.925 -1.550 623 HD1 HIS 76 HD1 HIS 76 -6.710 32.319 -0.597 624 HD2 HIS 76 HD2 HIS 76 -4.314 32.113 -3.984 625 HE1 HIS 76 HE1 HIS 76 -6.473 34.681 -1.407 626 HE2 HIS 76 HE2 HIS 76 -5.147 34.505 -3.530 627 H HIS 77 H HIS 77 -6.478 28.511 -0.183 628 HA HIS 77 HA HIS 77 -5.237 25.845 0.027 629 HB2 HIS 77 2HB HIS 77 -7.426 25.173 1.124 630 HB3 HIS 77 3HB HIS 77 -6.470 26.352 2.000 631 HD1 HIS 77 HD1 HIS 77 -7.541 28.586 2.521 632 HD2 HIS 77 HD2 HIS 77 -9.907 26.228 0.056 633 HE1 HIS 77 HE1 HIS 77 -9.791 29.686 2.496 634 HE2 HIS 77 HE2 HIS 77 -11.235 28.161 1.122 Start of MODEL 18 1 H1 MET 1 1H MET 1 0.718 13.492 -6.979 2 H2 MET 1 2H MET 1 -0.918 13.192 -6.696 3 H3 MET 1 3H MET 1 0.013 12.063 -7.542 4 HA MET 1 HA MET 1 0.408 12.842 -4.720 5 HB2 MET 1 2HB MET 1 -0.540 10.685 -4.107 6 HB3 MET 1 3HB MET 1 -1.694 11.529 -5.127 7 HG2 MET 1 2HG MET 1 0.154 9.327 -6.097 8 HG3 MET 1 3HG MET 1 -1.528 9.099 -5.622 9 HE1 MET 1 3HE MET 1 -3.140 11.494 -6.845 10 HE2 MET 1 1HE MET 1 -3.599 9.805 -7.089 11 HE3 MET 1 2HE MET 1 -3.495 10.899 -8.466 12 H VAL 2 H VAL 2 1.830 11.149 -3.599 13 HA VAL 2 HA VAL 2 4.002 10.167 -5.292 14 HB VAL 2 HB VAL 2 3.589 9.615 -2.312 15 HG11 VAL 2 1HG1 VAL 2 6.012 9.071 -2.317 16 HG12 VAL 2 2HG1 VAL 2 6.071 9.349 -4.058 17 HG13 VAL 2 3HG1 VAL 2 5.113 8.016 -3.412 18 HG21 VAL 2 3HG2 VAL 2 5.243 11.812 -3.593 19 HG22 VAL 2 1HG2 VAL 2 5.203 11.422 -1.872 20 HG23 VAL 2 2HG2 VAL 2 3.754 12.035 -2.671 21 H ASP 3 H ASP 3 3.650 8.399 -6.388 22 HA ASP 3 HA ASP 3 1.431 6.602 -5.854 23 HB2 ASP 3 2HB ASP 3 3.473 6.709 -8.125 24 HB3 ASP 3 3HB ASP 3 2.137 5.558 -8.048 25 H LEU 4 H LEU 4 1.920 5.290 -4.149 26 HA LEU 4 HA LEU 4 4.216 3.444 -4.413 27 HB2 LEU 4 2HB LEU 4 2.067 3.640 -2.250 28 HB3 LEU 4 3HB LEU 4 3.467 2.580 -2.209 29 HG LEU 4 HG LEU 4 3.579 5.627 -2.115 30 HD11 LEU 4 1HD1 LEU 4 2.631 4.713 -0.064 31 HD12 LEU 4 2HD1 LEU 4 4.244 5.356 0.229 32 HD13 LEU 4 3HD1 LEU 4 3.999 3.612 0.110 33 HD21 LEU 4 3HD2 LEU 4 5.817 3.601 -1.807 34 HD22 LEU 4 1HD2 LEU 4 5.961 5.349 -1.591 35 HD23 LEU 4 2HD2 LEU 4 5.573 4.688 -3.177 36 H LYS 5 H LYS 5 3.766 1.850 -5.889 37 HA LYS 5 HA LYS 5 1.002 0.787 -6.068 38 HB2 LYS 5 2HB LYS 5 1.973 2.117 -8.016 39 HB3 LYS 5 3HB LYS 5 3.160 0.836 -8.234 40 HG2 LYS 5 2HG LYS 5 1.413 -0.760 -8.804 41 HG3 LYS 5 3HG LYS 5 0.149 0.401 -8.388 42 HD2 LYS 5 2HD LYS 5 2.128 0.643 -10.694 43 HD3 LYS 5 3HD LYS 5 0.403 0.294 -10.824 44 HE2 LYS 5 2HE LYS 5 -0.084 2.543 -9.821 45 HE3 LYS 5 3HE LYS 5 1.647 2.886 -9.830 46 HZ1 LYS 5 3HZ LYS 5 0.600 3.859 -11.735 47 HZ2 LYS 5 1HZ LYS 5 -0.063 2.381 -12.197 48 HZ3 LYS 5 2HZ LYS 5 1.607 2.607 -12.257 49 H ILE 6 H ILE 6 0.905 -1.199 -5.123 50 HA ILE 6 HA ILE 6 3.471 -2.620 -4.665 51 HB ILE 6 HB ILE 6 0.968 -2.793 -2.912 52 HG12 ILE 6 2HG1 ILE 6 2.610 -1.627 -1.183 53 HG13 ILE 6 3HG1 ILE 6 3.470 -1.079 -2.613 54 HG21 ILE 6 1HG2 ILE 6 2.446 -4.029 -1.351 55 HG22 ILE 6 2HG2 ILE 6 3.774 -3.905 -2.502 56 HG23 ILE 6 3HG2 ILE 6 2.338 -4.846 -2.910 57 HD11 ILE 6 3HD1 ILE 6 1.459 0.097 -3.360 58 HD12 ILE 6 1HD1 ILE 6 1.968 0.616 -1.753 59 HD13 ILE 6 2HD1 ILE 6 0.595 -0.476 -1.931 60 H ASP 7 H ASP 7 3.647 -4.409 -5.838 61 HA ASP 7 HA ASP 7 1.618 -5.748 -7.257 62 HB2 ASP 7 2HB ASP 7 4.001 -5.958 -7.837 63 HB3 ASP 7 3HB ASP 7 4.363 -6.690 -6.278 64 H VAL 8 H VAL 8 0.247 -7.469 -6.671 65 HA VAL 8 HA VAL 8 0.541 -8.712 -4.030 66 HB VAL 8 HB VAL 8 -1.948 -8.460 -3.597 67 HG11 VAL 8 1HG1 VAL 8 -0.370 -5.858 -3.635 68 HG12 VAL 8 2HG1 VAL 8 -0.319 -7.092 -2.374 69 HG13 VAL 8 3HG1 VAL 8 -1.805 -6.185 -2.654 70 HG21 VAL 8 3HG2 VAL 8 -2.721 -7.865 -5.865 71 HG22 VAL 8 1HG2 VAL 8 -1.848 -6.335 -5.785 72 HG23 VAL 8 2HG2 VAL 8 -3.214 -6.632 -4.704 73 H SER 9 H SER 9 0.425 -10.772 -4.297 74 HA SER 9 HA SER 9 -0.436 -12.029 -6.758 75 HB2 SER 9 2HB SER 9 1.583 -12.805 -5.546 76 HB3 SER 9 3HB SER 9 0.577 -13.326 -4.197 77 HG SER 9 HG SER 9 0.087 -14.269 -6.805 78 H ASP 10 H ASP 10 -1.408 -12.432 -3.321 79 HA ASP 10 HA ASP 10 -3.809 -13.919 -4.081 80 HB2 ASP 10 2HB ASP 10 -2.791 -13.139 -1.305 81 HB3 ASP 10 3HB ASP 10 -4.112 -14.254 -1.640 82 H ASP 11 H ASP 11 -5.856 -13.398 -2.939 83 HA ASP 11 HA ASP 11 -6.658 -10.610 -3.271 84 HB2 ASP 11 2HB ASP 11 -8.944 -11.452 -2.760 85 HB3 ASP 11 3HB ASP 11 -8.182 -12.373 -4.053 86 H GLU 12 H GLU 12 -6.083 -12.961 -0.682 87 HA GLU 12 HA GLU 12 -6.949 -11.475 1.563 88 HB2 GLU 12 2HB GLU 12 -6.539 -13.900 1.665 89 HB3 GLU 12 3HB GLU 12 -4.856 -13.673 1.217 90 HG2 GLU 12 2HG GLU 12 -4.907 -14.177 3.545 91 HG3 GLU 12 3HG GLU 12 -4.501 -12.473 3.394 92 H GLU 13 H GLU 13 -3.809 -11.938 -0.012 93 HA GLU 13 HA GLU 13 -2.114 -10.247 1.318 94 HB2 GLU 13 2HB GLU 13 -1.304 -11.708 -0.411 95 HB3 GLU 13 3HB GLU 13 -2.332 -10.961 -1.623 96 HG2 GLU 13 2HG GLU 13 -0.085 -10.267 -2.053 97 HG3 GLU 13 3HG GLU 13 -0.963 -8.875 -1.423 98 H ALA 14 H ALA 14 -4.220 -9.391 -1.441 99 HA ALA 14 HA ALA 14 -3.425 -6.729 -1.754 100 HB1 ALA 14 3HB ALA 14 -5.463 -6.460 -3.097 101 HB2 ALA 14 1HB ALA 14 -6.121 -7.960 -2.431 102 HB3 ALA 14 2HB ALA 14 -4.681 -8.001 -3.452 103 H GLU 15 H GLU 15 -6.285 -8.014 -0.050 104 HA GLU 15 HA GLU 15 -7.177 -5.452 0.868 105 HB2 GLU 15 2HB GLU 15 -8.056 -8.237 1.708 106 HB3 GLU 15 3HB GLU 15 -8.928 -6.737 2.031 107 HG2 GLU 15 2HG GLU 15 -9.254 -6.372 -0.379 108 HG3 GLU 15 3HG GLU 15 -8.315 -7.818 -0.741 109 H LYS 16 H LYS 16 -4.946 -7.779 2.133 110 HA LYS 16 HA LYS 16 -4.863 -6.900 4.835 111 HB2 LYS 16 2HB LYS 16 -3.252 -8.675 3.106 112 HB3 LYS 16 3HB LYS 16 -2.215 -7.741 4.167 113 HG2 LYS 16 2HG LYS 16 -4.530 -9.467 5.113 114 HG3 LYS 16 3HG LYS 16 -2.843 -9.970 5.085 115 HD2 LYS 16 2HD LYS 16 -3.929 -7.628 6.701 116 HD3 LYS 16 3HD LYS 16 -3.564 -9.227 7.346 117 HE2 LYS 16 2HE LYS 16 -1.193 -8.942 6.790 118 HE3 LYS 16 3HE LYS 16 -1.536 -7.375 6.052 119 HZ1 LYS 16 3HZ LYS 16 -2.190 -6.527 8.184 120 HZ2 LYS 16 1HZ LYS 16 -0.642 -7.186 8.305 121 HZ3 LYS 16 2HZ LYS 16 -1.972 -8.037 8.905 122 H ILE 17 H ILE 17 -3.202 -5.835 1.870 123 HA ILE 17 HA ILE 17 -1.591 -3.816 3.080 124 HB ILE 17 HB ILE 17 -2.574 -3.837 0.184 125 HG12 ILE 17 2HG1 ILE 17 -1.544 -6.010 0.616 126 HG13 ILE 17 3HG1 ILE 17 -0.472 -5.059 -0.399 127 HG21 ILE 17 1HG2 ILE 17 -0.102 -2.552 1.414 128 HG22 ILE 17 2HG2 ILE 17 -1.538 -1.709 0.829 129 HG23 ILE 17 3HG2 ILE 17 -0.500 -2.569 -0.307 130 HD11 ILE 17 3HD1 ILE 17 0.748 -6.314 1.251 131 HD12 ILE 17 1HD1 ILE 17 -0.151 -5.552 2.559 132 HD13 ILE 17 2HD1 ILE 17 0.935 -4.587 1.553 133 H ILE 18 H ILE 18 -4.766 -3.785 1.447 134 HA ILE 18 HA ILE 18 -5.379 -1.056 1.558 135 HB ILE 18 HB ILE 18 -7.273 -3.449 1.687 136 HG12 ILE 18 2HG1 ILE 18 -6.357 -1.782 -0.701 137 HG13 ILE 18 3HG1 ILE 18 -5.801 -3.406 -0.322 138 HG21 ILE 18 1HG2 ILE 18 -7.944 -0.560 1.004 139 HG22 ILE 18 2HG2 ILE 18 -8.452 -1.429 2.454 140 HG23 ILE 18 3HG2 ILE 18 -9.053 -1.929 0.874 141 HD11 ILE 18 3HD1 ILE 18 -8.604 -2.622 -1.096 142 HD12 ILE 18 1HD1 ILE 18 -8.073 -4.253 -0.671 143 HD13 ILE 18 2HD1 ILE 18 -7.414 -3.453 -2.097 144 H ARG 19 H ARG 19 -6.066 -3.635 3.938 145 HA ARG 19 HA ARG 19 -7.471 -2.041 5.804 146 HB2 ARG 19 2HB ARG 19 -7.601 -4.509 5.808 147 HB3 ARG 19 3HB ARG 19 -5.902 -4.617 6.262 148 HG2 ARG 19 2HG ARG 19 -7.415 -5.012 8.185 149 HG3 ARG 19 3HG ARG 19 -6.381 -3.602 8.440 150 HD2 ARG 19 2HD ARG 19 -8.693 -3.187 9.186 151 HD3 ARG 19 3HD ARG 19 -8.246 -2.112 7.862 152 HE ARG 19 HE ARG 19 -9.557 -3.518 6.364 153 HH11 ARG 19 1HH1 ARG 19 -10.201 -3.937 9.799 154 HH12 ARG 19 2HH1 ARG 19 -11.789 -4.594 9.543 155 HH21 ARG 19 1HH2 ARG 19 -11.630 -4.387 6.045 156 HH22 ARG 19 2HH2 ARG 19 -12.586 -4.845 7.420 157 H GLU 20 H GLU 20 -4.084 -3.020 5.572 158 HA GLU 20 HA GLU 20 -2.994 -1.926 7.853 159 HB2 GLU 20 2HB GLU 20 -1.844 -3.441 6.249 160 HB3 GLU 20 3HB GLU 20 -1.780 -2.139 5.069 161 HG2 GLU 20 2HG GLU 20 0.386 -2.435 6.148 162 HG3 GLU 20 3HG GLU 20 -0.299 -0.855 6.540 163 H ILE 21 H ILE 21 -3.350 -0.378 4.656 164 HA ILE 21 HA ILE 21 -2.036 2.046 5.483 165 HB ILE 21 HB ILE 21 -3.496 1.390 2.887 166 HG12 ILE 21 2HG1 ILE 21 -1.588 -0.102 3.211 167 HG13 ILE 21 3HG1 ILE 21 -1.188 1.062 1.959 168 HG21 ILE 21 1HG2 ILE 21 -3.365 3.828 3.191 169 HG22 ILE 21 2HG2 ILE 21 -2.283 3.310 1.900 170 HG23 ILE 21 3HG2 ILE 21 -1.627 3.717 3.486 171 HD11 ILE 21 3HD1 ILE 21 0.159 2.330 3.595 172 HD12 ILE 21 1HD1 ILE 21 0.703 0.667 3.397 173 HD13 ILE 21 2HD1 ILE 21 -0.225 1.117 4.823 174 H ARG 22 H ARG 22 -5.429 1.142 4.743 175 HA ARG 22 HA ARG 22 -6.343 3.880 4.904 176 HB2 ARG 22 2HB ARG 22 -7.903 1.284 4.660 177 HB3 ARG 22 3HB ARG 22 -8.648 2.880 4.686 178 HG2 ARG 22 2HG ARG 22 -7.170 3.449 2.663 179 HG3 ARG 22 3HG ARG 22 -6.826 1.718 2.567 180 HD2 ARG 22 2HD ARG 22 -8.654 2.321 1.051 181 HD3 ARG 22 3HD ARG 22 -9.248 1.256 2.330 182 HE ARG 22 HE ARG 22 -9.725 3.754 3.304 183 HH11 ARG 22 1HH1 ARG 22 -10.667 2.180 0.297 184 HH12 ARG 22 2HH1 ARG 22 -12.122 3.105 0.135 185 HH21 ARG 22 1HH2 ARG 22 -11.628 4.938 3.092 186 HH22 ARG 22 2HH2 ARG 22 -12.664 4.671 1.727 187 H GLU 23 H GLU 23 -6.083 1.282 7.253 188 HA GLU 23 HA GLU 23 -7.932 2.284 9.194 189 HB2 GLU 23 2HB GLU 23 -7.098 -0.044 9.231 190 HB3 GLU 23 3HB GLU 23 -5.460 0.526 9.542 191 HG2 GLU 23 2HG GLU 23 -6.218 1.440 11.738 192 HG3 GLU 23 3HG GLU 23 -7.839 0.826 11.416 193 H GLN 24 H GLN 24 -4.607 2.930 8.450 194 HA GLN 24 HA GLN 24 -4.126 4.553 10.869 195 HB2 GLN 24 2HB GLN 24 -2.201 3.893 8.597 196 HB3 GLN 24 3HB GLN 24 -1.782 4.623 10.144 197 HG2 GLN 24 2HG GLN 24 -2.471 2.543 11.301 198 HG3 GLN 24 3HG GLN 24 -2.851 1.818 9.737 199 HE21 GLN 24 1HE2 GLN 24 -1.101 1.352 8.300 200 HE22 GLN 24 2HE2 GLN 24 0.498 1.134 8.904 201 H TRP 25 H TRP 25 -4.088 4.870 7.360 202 HA TRP 25 HA TRP 25 -4.282 7.822 7.515 203 HB2 TRP 25 2HB TRP 25 -3.273 6.064 5.226 204 HB3 TRP 25 3HB TRP 25 -3.327 7.828 5.223 205 HD1 TRP 25 HD1 TRP 25 -1.613 9.084 6.969 206 HE1 TRP 25 HE1 TRP 25 0.660 8.352 7.899 207 HE3 TRP 25 HE3 TRP 25 -1.836 4.092 5.891 208 HZ2 TRP 25 HZ2 TRP 25 2.153 6.015 8.152 209 HZ3 TRP 25 HZ3 TRP 25 0.067 2.663 6.517 210 HH2 TRP 25 HH2 TRP 25 2.032 3.608 7.629 211 HA PRO 26 HA PRO 26 -8.523 6.717 5.956 212 HB2 PRO 26 2HB PRO 26 -9.673 9.080 6.854 213 HB3 PRO 26 3HB PRO 26 -9.494 7.632 7.862 214 HG2 PRO 26 2HG PRO 26 -7.742 10.068 7.759 215 HG3 PRO 26 3HG PRO 26 -8.352 9.183 9.178 216 HD2 PRO 26 2HD PRO 26 -5.834 8.814 8.278 217 HD3 PRO 26 3HD PRO 26 -6.776 7.466 8.952 218 H LYS 27 H LYS 27 -6.541 9.658 5.613 219 HA LYS 27 HA LYS 27 -7.885 10.703 3.310 220 HB2 LYS 27 2HB LYS 27 -5.156 11.325 4.514 221 HB3 LYS 27 3HB LYS 27 -5.945 12.291 3.276 222 HG2 LYS 27 2HG LYS 27 -7.018 11.858 6.081 223 HG3 LYS 27 3HG LYS 27 -6.102 13.269 5.549 224 HD2 LYS 27 2HD LYS 27 -7.900 13.755 3.870 225 HD3 LYS 27 3HD LYS 27 -8.830 12.399 4.518 226 HE2 LYS 27 2HE LYS 27 -8.978 13.502 6.696 227 HE3 LYS 27 3HE LYS 27 -7.953 14.823 6.126 228 HZ1 LYS 27 3HZ LYS 27 -10.651 14.135 5.094 229 HZ2 LYS 27 1HZ LYS 27 -9.670 15.377 4.501 230 HZ3 LYS 27 2HZ LYS 27 -10.261 15.450 6.082 231 H ALA 28 H ALA 28 -6.849 7.864 2.863 232 HA ALA 28 HA ALA 28 -4.629 8.332 0.969 233 HB1 ALA 28 3HB ALA 28 -3.824 6.037 1.470 234 HB2 ALA 28 1HB ALA 28 -5.055 5.874 2.728 235 HB3 ALA 28 2HB ALA 28 -3.764 7.062 2.903 236 H THR 29 H THR 29 -5.691 8.240 -1.026 237 HA THR 29 HA THR 29 -8.102 6.722 -1.418 238 HB THR 29 HB THR 29 -6.292 8.042 -3.499 239 HG1 THR 29 HG1 THR 29 -7.161 9.508 -1.920 240 HG21 THR 29 3HG2 THR 29 -9.201 7.186 -3.723 241 HG22 THR 29 1HG2 THR 29 -7.837 6.412 -4.533 242 HG23 THR 29 2HG2 THR 29 -8.293 8.065 -4.953 243 H VAL 30 H VAL 30 -7.846 4.541 -1.273 244 HA VAL 30 HA VAL 30 -5.670 3.208 -2.771 245 HB VAL 30 HB VAL 30 -7.222 2.167 -0.349 246 HG11 VAL 30 1HG1 VAL 30 -5.667 0.240 -0.406 247 HG12 VAL 30 2HG1 VAL 30 -4.942 0.857 -1.892 248 HG13 VAL 30 3HG1 VAL 30 -6.626 0.329 -1.885 249 HG21 VAL 30 3HG2 VAL 30 -4.308 3.049 -0.570 250 HG22 VAL 30 1HG2 VAL 30 -5.066 2.352 0.865 251 HG23 VAL 30 2HG2 VAL 30 -5.593 3.925 0.264 252 H THR 31 H THR 31 -6.347 2.397 -4.619 253 HA THR 31 HA THR 31 -9.185 1.727 -5.063 254 HB THR 31 HB THR 31 -6.903 1.915 -7.095 255 HG1 THR 31 HG1 THR 31 -7.128 3.978 -6.846 256 HG21 THR 31 3HG2 THR 31 -9.921 1.883 -7.512 257 HG22 THR 31 1HG2 THR 31 -8.804 0.579 -7.929 258 HG23 THR 31 2HG2 THR 31 -8.710 2.124 -8.774 259 H ARG 32 H ARG 32 -9.847 -0.373 -5.572 260 HA ARG 32 HA ARG 32 -8.050 -2.571 -4.921 261 HB2 ARG 32 2HB ARG 32 -10.340 -2.399 -3.913 262 HB3 ARG 32 3HB ARG 32 -11.046 -2.481 -5.518 263 HG2 ARG 32 2HG ARG 32 -11.240 -4.609 -4.284 264 HG3 ARG 32 3HG ARG 32 -10.312 -4.797 -5.769 265 HD2 ARG 32 2HD ARG 32 -8.275 -5.070 -4.599 266 HD3 ARG 32 3HD ARG 32 -8.912 -4.332 -3.134 267 HE ARG 32 HE ARG 32 -10.157 -6.327 -2.686 268 HH11 ARG 32 1HH1 ARG 32 -7.808 -6.731 -5.280 269 HH12 ARG 32 2HH1 ARG 32 -7.750 -8.456 -5.116 270 HH21 ARG 32 1HH2 ARG 32 -10.034 -8.581 -2.456 271 HH22 ARG 32 2HH2 ARG 32 -9.012 -9.498 -3.515 272 H THR 33 H THR 33 -6.962 -3.504 -6.586 273 HA THR 33 HA THR 33 -8.084 -3.631 -9.280 274 HB THR 33 HB THR 33 -5.741 -2.927 -10.208 275 HG1 THR 33 HG1 THR 33 -5.296 -2.554 -7.610 276 HG21 THR 33 3HG2 THR 33 -7.505 -0.760 -9.012 277 HG22 THR 33 1HG2 THR 33 -7.732 -1.521 -10.592 278 HG23 THR 33 2HG2 THR 33 -6.307 -0.523 -10.285 279 H ASN 34 H ASN 34 -7.586 -5.550 -10.203 280 HA ASN 34 HA ASN 34 -6.315 -7.563 -8.588 281 HB2 ASN 34 2HB ASN 34 -6.872 -9.139 -10.360 282 HB3 ASN 34 3HB ASN 34 -8.256 -8.113 -10.015 283 HD21 ASN 34 1HD2 ASN 34 -5.989 -9.134 -12.405 284 HD22 ASN 34 2HD2 ASN 34 -6.639 -8.234 -13.733 285 H GLY 35 H GLY 35 -4.167 -7.424 -8.305 286 HA2 GLY 35 2HA GLY 35 -2.114 -8.325 -9.473 287 HA3 GLY 35 3HA GLY 35 -2.361 -7.032 -10.643 288 H ASP 36 H ASP 36 -3.229 -5.043 -8.669 289 HA ASP 36 HA ASP 36 -0.792 -4.615 -7.049 290 HB2 ASP 36 2HB ASP 36 -1.798 -2.625 -9.133 291 HB3 ASP 36 3HB ASP 36 -0.608 -2.231 -7.899 292 H ILE 37 H ILE 37 -1.002 -3.090 -5.449 293 HA ILE 37 HA ILE 37 -3.642 -1.964 -4.803 294 HB ILE 37 HB ILE 37 -1.048 -2.097 -3.184 295 HG12 ILE 37 2HG1 ILE 37 -2.219 -4.241 -3.314 296 HG13 ILE 37 3HG1 ILE 37 -2.406 -3.592 -1.693 297 HG21 ILE 37 1HG2 ILE 37 -2.176 0.017 -2.623 298 HG22 ILE 37 2HG2 ILE 37 -2.308 -1.116 -1.283 299 HG23 ILE 37 3HG2 ILE 37 -3.697 -0.838 -2.334 300 HD11 ILE 37 3HD1 ILE 37 -4.456 -4.591 -2.444 301 HD12 ILE 37 1HD1 ILE 37 -4.482 -3.574 -3.883 302 HD13 ILE 37 2HD1 ILE 37 -4.689 -2.853 -2.283 303 H LYS 38 H LYS 38 -4.085 -0.062 -5.643 304 HA LYS 38 HA LYS 38 -2.012 1.852 -6.400 305 HB2 LYS 38 2HB LYS 38 -5.054 2.123 -6.551 306 HB3 LYS 38 3HB LYS 38 -3.873 3.179 -7.318 307 HG2 LYS 38 2HG LYS 38 -4.386 0.270 -7.999 308 HG3 LYS 38 3HG LYS 38 -4.869 1.673 -8.954 309 HD2 LYS 38 2HD LYS 38 -2.453 2.248 -9.267 310 HD3 LYS 38 3HD LYS 38 -2.012 0.786 -8.383 311 HE2 LYS 38 2HE LYS 38 -3.559 0.872 -10.999 312 HE3 LYS 38 3HE LYS 38 -1.856 0.445 -10.816 313 HZ1 LYS 38 3HZ LYS 38 -2.563 -1.435 -9.432 314 HZ2 LYS 38 1HZ LYS 38 -3.190 -1.521 -10.997 315 HZ3 LYS 38 2HZ LYS 38 -4.175 -1.042 -9.715 316 H LEU 39 H LEU 39 -1.187 2.934 -4.742 317 HA LEU 39 HA LEU 39 -2.853 3.661 -2.394 318 HB2 LEU 39 2HB LEU 39 -0.930 2.010 -2.128 319 HB3 LEU 39 3HB LEU 39 0.174 3.298 -2.541 320 HG LEU 39 HG LEU 39 -1.611 3.328 -0.057 321 HD11 LEU 39 1HD1 LEU 39 0.425 2.706 1.206 322 HD12 LEU 39 2HD1 LEU 39 1.308 2.504 -0.311 323 HD13 LEU 39 3HD1 LEU 39 -0.054 1.447 0.068 324 HD21 LEU 39 3HD2 LEU 39 -0.886 5.579 -0.708 325 HD22 LEU 39 1HD2 LEU 39 0.795 5.048 -0.762 326 HD23 LEU 39 2HD2 LEU 39 -0.081 5.074 0.773 327 H ASP 40 H ASP 40 -3.165 5.760 -2.063 328 HA ASP 40 HA ASP 40 -1.683 7.808 -3.583 329 HB2 ASP 40 2HB ASP 40 -3.972 8.202 -3.944 330 HB3 ASP 40 3HB ASP 40 -4.424 7.659 -2.340 331 H ALA 41 H ALA 41 0.124 8.255 -2.472 332 HA ALA 41 HA ALA 41 0.061 8.647 0.436 333 HB1 ALA 41 3HB ALA 41 2.529 8.800 0.226 334 HB2 ALA 41 1HB ALA 41 2.379 8.566 -1.518 335 HB3 ALA 41 2HB ALA 41 1.893 7.282 -0.411 336 H GLN 42 H GLN 42 0.234 10.625 1.309 337 HA GLN 42 HA GLN 42 -0.801 12.783 -0.219 338 HB2 GLN 42 2HB GLN 42 0.352 12.970 2.594 339 HB3 GLN 42 3HB GLN 42 -0.889 13.990 1.876 340 HG2 GLN 42 2HG GLN 42 -1.172 11.079 2.681 341 HG3 GLN 42 3HG GLN 42 -1.870 12.470 3.505 342 HE21 GLN 42 1HE2 GLN 42 -2.142 10.296 0.791 343 HE22 GLN 42 2HE2 GLN 42 -3.715 10.801 0.291 344 H THR 43 H THR 43 2.263 12.307 1.485 345 HA THR 43 HA THR 43 3.670 14.224 -0.259 346 HB THR 43 HB THR 43 4.862 15.132 1.752 347 HG1 THR 43 HG1 THR 43 3.939 14.639 3.835 348 HG21 THR 43 3HG2 THR 43 2.907 16.406 0.915 349 HG22 THR 43 1HG2 THR 43 3.054 16.540 2.668 350 HG23 THR 43 2HG2 THR 43 1.842 15.466 1.965 351 H GLU 44 H GLU 44 6.157 14.036 0.433 352 HA GLU 44 HA GLU 44 7.082 11.439 -0.140 353 HB2 GLU 44 2HB GLU 44 8.394 13.424 -0.710 354 HB3 GLU 44 3HB GLU 44 8.525 13.877 0.985 355 HG2 GLU 44 2HG GLU 44 10.629 12.919 0.091 356 HG3 GLU 44 3HG GLU 44 9.980 11.977 1.434 357 H LYS 45 H LYS 45 7.133 13.309 2.897 358 HA LYS 45 HA LYS 45 8.323 11.259 4.476 359 HB2 LYS 45 2HB LYS 45 6.919 13.849 5.211 360 HB3 LYS 45 3HB LYS 45 7.614 12.779 6.423 361 HG2 LYS 45 2HG LYS 45 9.167 14.073 4.155 362 HG3 LYS 45 3HG LYS 45 9.130 14.653 5.824 363 HD2 LYS 45 2HD LYS 45 10.205 12.638 6.630 364 HD3 LYS 45 3HD LYS 45 10.056 11.864 5.053 365 HE2 LYS 45 2HE LYS 45 11.608 13.613 4.130 366 HE3 LYS 45 3HE LYS 45 11.857 14.189 5.784 367 HZ1 LYS 45 3HZ LYS 45 13.559 12.599 5.056 368 HZ2 LYS 45 1HZ LYS 45 12.376 11.413 4.856 369 HZ3 LYS 45 2HZ LYS 45 12.704 12.031 6.398 370 H GLU 46 H GLU 46 5.125 11.651 3.362 371 HA GLU 46 HA GLU 46 3.853 10.145 5.513 372 HB2 GLU 46 2HB GLU 46 2.684 11.993 4.127 373 HB3 GLU 46 3HB GLU 46 2.679 10.857 2.784 374 HG2 GLU 46 2HG GLU 46 0.530 10.696 3.781 375 HG3 GLU 46 3HG GLU 46 1.401 9.248 4.302 376 H ALA 47 H ALA 47 4.855 9.818 2.133 377 HA ALA 47 HA ALA 47 3.983 7.243 1.531 378 HB1 ALA 47 3HB ALA 47 5.597 7.303 -0.306 379 HB2 ALA 47 1HB ALA 47 6.433 8.674 0.443 380 HB3 ALA 47 2HB ALA 47 4.780 8.855 -0.145 381 H GLU 48 H GLU 48 6.947 8.331 3.114 382 HA GLU 48 HA GLU 48 8.473 5.994 3.049 383 HB2 GLU 48 2HB GLU 48 8.376 8.184 5.168 384 HB3 GLU 48 3HB GLU 48 9.634 6.952 5.082 385 HG2 GLU 48 2HG GLU 48 10.326 7.781 2.870 386 HG3 GLU 48 3HG GLU 48 9.042 8.988 2.904 387 H LYS 49 H LYS 49 5.967 6.999 5.367 388 HA LYS 49 HA LYS 49 6.331 4.783 7.190 389 HB2 LYS 49 2HB LYS 49 3.949 6.669 6.919 390 HB3 LYS 49 3HB LYS 49 4.323 5.655 8.310 391 HG2 LYS 49 2HG LYS 49 6.326 6.999 8.782 392 HG3 LYS 49 3HG LYS 49 6.018 7.985 7.346 393 HD2 LYS 49 2HD LYS 49 3.844 8.714 8.326 394 HD3 LYS 49 3HD LYS 49 4.187 7.761 9.774 395 HE2 LYS 49 2HE LYS 49 5.835 10.115 8.785 396 HE3 LYS 49 3HE LYS 49 4.665 10.163 10.101 397 HZ1 LYS 49 3HZ LYS 49 7.174 8.582 10.050 398 HZ2 LYS 49 1HZ LYS 49 6.029 8.541 11.294 399 HZ3 LYS 49 2HZ LYS 49 6.878 9.966 10.973 400 H MET 50 H MET 50 3.925 5.739 4.860 401 HA MET 50 HA MET 50 2.112 3.656 4.809 402 HB2 MET 50 2HB MET 50 3.073 5.386 2.509 403 HB3 MET 50 3HB MET 50 1.759 4.231 2.320 404 HG2 MET 50 2HG MET 50 0.457 5.402 4.038 405 HG3 MET 50 3HG MET 50 1.780 6.552 4.265 406 HE1 MET 50 3HE MET 50 -1.267 8.369 2.262 407 HE2 MET 50 1HE MET 50 -0.510 8.250 3.850 408 HE3 MET 50 2HE MET 50 -1.516 6.930 3.250 409 H GLU 51 H GLU 51 4.878 3.785 2.486 410 HA GLU 51 HA GLU 51 4.653 1.150 1.551 411 HB2 GLU 51 2HB GLU 51 6.867 1.417 0.599 412 HB3 GLU 51 3HB GLU 51 5.993 2.934 0.432 413 HG2 GLU 51 2HG GLU 51 7.221 3.901 2.282 414 HG3 GLU 51 3HG GLU 51 8.023 2.375 2.617 415 H LYS 52 H LYS 52 6.299 2.394 4.409 416 HA LYS 52 HA LYS 52 7.930 0.152 5.054 417 HB2 LYS 52 2HB LYS 52 8.302 2.393 6.016 418 HB3 LYS 52 3HB LYS 52 6.745 2.327 6.829 419 HG2 LYS 52 2HG LYS 52 8.499 1.940 8.438 420 HG3 LYS 52 3HG LYS 52 7.581 0.445 8.229 421 HD2 LYS 52 2HD LYS 52 9.354 -0.450 6.765 422 HD3 LYS 52 3HD LYS 52 10.260 1.060 6.915 423 HE2 LYS 52 2HE LYS 52 10.465 0.654 9.364 424 HE3 LYS 52 3HE LYS 52 9.621 -0.884 9.159 425 HZ1 LYS 52 3HZ LYS 52 11.378 -1.688 7.802 426 HZ2 LYS 52 1HZ LYS 52 12.060 -1.080 9.219 427 HZ3 LYS 52 2HZ LYS 52 12.148 -0.187 7.787 428 H ALA 53 H ALA 53 4.654 1.101 5.968 429 HA ALA 53 HA ALA 53 4.012 -0.973 7.754 430 HB1 ALA 53 3HB ALA 53 1.684 -0.286 7.373 431 HB2 ALA 53 1HB ALA 53 2.170 0.629 5.940 432 HB3 ALA 53 2HB ALA 53 2.728 1.123 7.539 433 H VAL 54 H VAL 54 3.769 -0.725 4.226 434 HA VAL 54 HA VAL 54 2.528 -3.227 3.697 435 HB VAL 54 HB VAL 54 4.399 -1.597 1.912 436 HG11 VAL 54 1HG1 VAL 54 2.401 -3.748 1.129 437 HG12 VAL 54 2HG1 VAL 54 4.158 -3.912 1.109 438 HG13 VAL 54 3HG1 VAL 54 3.366 -2.775 0.019 439 HG21 VAL 54 3HG2 VAL 54 2.350 -0.641 0.908 440 HG22 VAL 54 1HG2 VAL 54 2.470 -0.252 2.627 441 HG23 VAL 54 2HG2 VAL 54 1.362 -1.514 2.084 442 H LYS 55 H LYS 55 5.957 -2.230 3.848 443 HA LYS 55 HA LYS 55 7.112 -4.755 3.259 444 HB2 LYS 55 2HB LYS 55 8.296 -2.380 4.746 445 HB3 LYS 55 3HB LYS 55 9.225 -3.775 4.197 446 HG2 LYS 55 2HG LYS 55 8.658 -3.251 1.857 447 HG3 LYS 55 3HG LYS 55 7.702 -1.867 2.395 448 HD2 LYS 55 2HD LYS 55 9.784 -0.869 3.385 449 HD3 LYS 55 3HD LYS 55 10.708 -2.221 2.723 450 HE2 LYS 55 2HE LYS 55 10.030 -1.551 0.437 451 HE3 LYS 55 3HE LYS 55 9.122 -0.193 1.111 452 HZ1 LYS 55 3HZ LYS 55 11.234 0.642 2.036 453 HZ2 LYS 55 1HZ LYS 55 11.237 0.561 0.347 454 HZ3 LYS 55 2HZ LYS 55 12.057 -0.606 1.246 455 H LYS 56 H LYS 56 5.629 -3.580 6.118 456 HA LYS 56 HA LYS 56 6.753 -5.664 7.825 457 HB2 LYS 56 2HB LYS 56 4.840 -3.371 8.290 458 HB3 LYS 56 3HB LYS 56 4.989 -4.642 9.489 459 HG2 LYS 56 2HG LYS 56 7.452 -3.157 8.543 460 HG3 LYS 56 3HG LYS 56 6.383 -2.445 9.748 461 HD2 LYS 56 2HD LYS 56 8.155 -3.539 10.945 462 HD3 LYS 56 3HD LYS 56 6.708 -4.516 11.170 463 HE2 LYS 56 2HE LYS 56 7.544 -6.066 9.396 464 HE3 LYS 56 3HE LYS 56 9.015 -5.102 9.286 465 HZ1 LYS 56 3HZ LYS 56 9.450 -5.618 11.609 466 HZ2 LYS 56 1HZ LYS 56 9.351 -7.011 10.670 467 HZ3 LYS 56 2HZ LYS 56 8.064 -6.579 11.673 468 H VAL 57 H VAL 57 4.067 -5.289 5.709 469 HA VAL 57 HA VAL 57 2.649 -7.637 6.688 470 HB VAL 57 HB VAL 57 2.397 -6.170 3.999 471 HG11 VAL 57 1HG1 VAL 57 0.202 -7.300 3.780 472 HG12 VAL 57 2HG1 VAL 57 0.522 -8.217 5.254 473 HG13 VAL 57 3HG1 VAL 57 1.530 -8.462 3.826 474 HG21 VAL 57 3HG2 VAL 57 0.700 -5.873 6.511 475 HG22 VAL 57 1HG2 VAL 57 0.370 -5.107 4.952 476 HG23 VAL 57 2HG2 VAL 57 1.819 -4.676 5.858 477 H LYS 58 H LYS 58 5.336 -6.917 4.639 478 HA LYS 58 HA LYS 58 5.923 -9.599 4.013 479 HB2 LYS 58 2HB LYS 58 5.874 -9.257 1.430 480 HB3 LYS 58 3HB LYS 58 4.386 -9.683 2.264 481 HG2 LYS 58 2HG LYS 58 3.610 -7.380 2.146 482 HG3 LYS 58 3HG LYS 58 5.135 -6.871 1.411 483 HD2 LYS 58 2HD LYS 58 4.695 -8.205 -0.575 484 HD3 LYS 58 3HD LYS 58 3.271 -8.933 0.174 485 HE2 LYS 58 2HE LYS 58 2.255 -6.630 0.257 486 HE3 LYS 58 3HE LYS 58 3.621 -6.059 -0.704 487 HZ1 LYS 58 3HZ LYS 58 3.020 -7.578 -2.443 488 HZ2 LYS 58 1HZ LYS 58 1.683 -6.622 -2.054 489 HZ3 LYS 58 2HZ LYS 58 1.766 -8.218 -1.510 490 HA PRO 59 HA PRO 59 9.761 -7.135 4.260 491 HB2 PRO 59 2HB PRO 59 11.535 -9.281 4.100 492 HB3 PRO 59 3HB PRO 59 10.702 -8.792 5.587 493 HG2 PRO 59 2HG PRO 59 9.963 -10.970 3.659 494 HG3 PRO 59 3HG PRO 59 9.975 -11.000 5.438 495 HD2 PRO 59 2HD PRO 59 7.676 -10.683 4.069 496 HD3 PRO 59 3HD PRO 59 7.940 -9.828 5.606 497 H ASN 60 H ASN 60 8.885 -9.324 1.683 498 HA ASN 60 HA ASN 60 10.868 -8.151 -0.185 499 HB2 ASN 60 2HB ASN 60 9.046 -10.578 -0.541 500 HB3 ASN 60 3HB ASN 60 10.272 -10.035 -1.682 501 HD21 ASN 60 1HD2 ASN 60 12.441 -10.473 -1.250 502 HD22 ASN 60 2HD2 ASN 60 12.941 -11.553 0.004 503 H ALA 61 H ALA 61 8.225 -6.931 0.843 504 HA ALA 61 HA ALA 61 6.251 -6.666 -0.998 505 HB1 ALA 61 3HB ALA 61 6.259 -5.470 1.160 506 HB2 ALA 61 1HB ALA 61 5.868 -4.374 -0.167 507 HB3 ALA 61 2HB ALA 61 7.482 -4.354 0.552 508 H THR 62 H THR 62 6.391 -6.435 -3.160 509 HA THR 62 HA THR 62 8.463 -4.866 -4.448 510 HB THR 62 HB THR 62 6.020 -6.190 -5.716 511 HG1 THR 62 HG1 THR 62 8.615 -7.269 -5.204 512 HG21 THR 62 3HG2 THR 62 7.414 -6.260 -7.746 513 HG22 THR 62 1HG2 THR 62 8.723 -5.439 -6.895 514 HG23 THR 62 2HG2 THR 62 7.200 -4.596 -7.198 515 H ILE 63 H ILE 63 8.165 -2.730 -3.951 516 HA ILE 63 HA ILE 63 5.555 -1.441 -4.461 517 HB ILE 63 HB ILE 63 7.924 -0.522 -2.744 518 HG12 ILE 63 2HG1 ILE 63 5.189 -1.493 -1.811 519 HG13 ILE 63 3HG1 ILE 63 6.613 -2.522 -1.854 520 HG21 ILE 63 1HG2 ILE 63 5.174 0.753 -3.051 521 HG22 ILE 63 2HG2 ILE 63 6.693 1.409 -3.665 522 HG23 ILE 63 3HG2 ILE 63 6.431 1.277 -1.926 523 HD11 ILE 63 3HD1 ILE 63 7.689 -0.976 -0.246 524 HD12 ILE 63 1HD1 ILE 63 6.240 -1.772 0.363 525 HD13 ILE 63 2HD1 ILE 63 6.167 -0.089 -0.148 526 H ARG 64 H ARG 64 5.445 -0.125 -6.155 527 HA ARG 64 HA ARG 64 7.878 0.736 -7.608 528 HB2 ARG 64 2HB ARG 64 4.952 0.666 -8.523 529 HB3 ARG 64 3HB ARG 64 6.323 1.170 -9.509 530 HG2 ARG 64 2HG ARG 64 7.266 -1.111 -9.362 531 HG3 ARG 64 3HG ARG 64 5.879 -1.618 -8.397 532 HD2 ARG 64 2HD ARG 64 5.562 -2.324 -10.696 533 HD3 ARG 64 3HD ARG 64 4.381 -1.068 -10.306 534 HE ARG 64 HE ARG 64 6.593 0.195 -11.441 535 HH11 ARG 64 1HH1 ARG 64 4.115 -2.071 -12.485 536 HH12 ARG 64 2HH1 ARG 64 4.175 -1.555 -14.141 537 HH21 ARG 64 1HH2 ARG 64 6.648 0.870 -13.621 538 HH22 ARG 64 2HH2 ARG 64 5.602 0.097 -14.773 539 H LYS 65 H LYS 65 8.503 2.610 -6.673 540 HA LYS 65 HA LYS 65 6.498 4.539 -5.719 541 HB2 LYS 65 2HB LYS 65 8.250 3.722 -4.117 542 HB3 LYS 65 3HB LYS 65 9.488 4.475 -5.121 543 HG2 LYS 65 2HG LYS 65 8.600 6.694 -4.670 544 HG3 LYS 65 3HG LYS 65 7.193 6.012 -3.847 545 HD2 LYS 65 2HD LYS 65 8.793 5.024 -2.131 546 HD3 LYS 65 3HD LYS 65 10.084 5.951 -2.898 547 HE2 LYS 65 2HE LYS 65 8.868 8.049 -2.388 548 HE3 LYS 65 3HE LYS 65 7.586 7.109 -1.617 549 HZ1 LYS 65 3HZ LYS 65 10.421 7.179 -0.745 550 HZ2 LYS 65 1HZ LYS 65 9.170 6.337 0.014 551 HZ3 LYS 65 2HZ LYS 65 9.147 8.016 -0.011 552 H THR 66 H THR 66 6.023 6.167 -6.999 553 HA THR 66 HA THR 66 8.098 7.501 -8.642 554 HB THR 66 HB THR 66 5.239 6.848 -9.544 555 HG1 THR 66 HG1 THR 66 7.692 5.585 -9.879 556 HG21 THR 66 3HG2 THR 66 7.490 8.258 -11.036 557 HG22 THR 66 1HG2 THR 66 5.983 9.003 -10.490 558 HG23 THR 66 2HG2 THR 66 5.954 7.763 -11.743 559 H GLY 67 H GLY 67 8.194 9.598 -8.082 560 HA2 GLY 67 2HA GLY 67 6.672 11.667 -7.848 561 HA3 GLY 67 3HA GLY 67 6.009 10.801 -6.461 562 H GLY 68 H GLY 68 9.288 11.319 -7.756 563 HA2 GLY 68 2HA GLY 68 10.312 12.105 -5.099 564 HA3 GLY 68 3HA GLY 68 11.266 11.681 -6.515 565 H SER 69 H SER 69 9.341 13.479 -8.100 566 HA SER 69 HA SER 69 10.883 15.947 -7.837 567 HB2 SER 69 2HB SER 69 8.780 15.104 -9.900 568 HB3 SER 69 3HB SER 69 9.814 16.531 -10.002 569 HG SER 69 HG SER 69 10.611 14.754 -11.205 570 H LEU 70 H LEU 70 9.258 15.586 -5.610 571 HA LEU 70 HA LEU 70 6.966 17.398 -5.856 572 HB2 LEU 70 2HB LEU 70 8.065 15.616 -3.674 573 HB3 LEU 70 3HB LEU 70 7.120 17.006 -3.179 574 HG LEU 70 HG LEU 70 5.179 16.172 -4.452 575 HD11 LEU 70 1HD1 LEU 70 6.851 13.745 -5.102 576 HD12 LEU 70 2HD1 LEU 70 6.269 14.953 -6.249 577 HD13 LEU 70 3HD1 LEU 70 5.121 13.917 -5.403 578 HD21 LEU 70 3HD2 LEU 70 4.608 14.314 -2.965 579 HD22 LEU 70 1HD2 LEU 70 5.422 15.604 -2.081 580 HD23 LEU 70 2HD2 LEU 70 6.303 14.132 -2.508 581 H GLU 71 H GLU 71 9.544 18.444 -6.543 582 HA GLU 71 HA GLU 71 10.638 20.385 -6.470 583 HB2 GLU 71 2HB GLU 71 8.834 21.204 -4.158 584 HB3 GLU 71 3HB GLU 71 9.818 22.280 -5.136 585 HG2 GLU 71 2HG GLU 71 7.457 20.663 -6.129 586 HG3 GLU 71 3HG GLU 71 7.431 22.382 -5.749 587 H HIS 72 H HIS 72 10.635 18.268 -3.806 588 HA HIS 72 HA HIS 72 11.765 17.918 -1.903 589 HB2 HIS 72 2HB HIS 72 14.008 19.390 -3.370 590 HB3 HIS 72 3HB HIS 72 14.227 18.491 -1.878 591 HD1 HIS 72 HD1 HIS 72 15.339 16.345 -2.354 592 HD2 HIS 72 HD2 HIS 72 12.716 17.402 -5.389 593 HE1 HIS 72 HE1 HIS 72 15.500 14.506 -4.057 594 HE2 HIS 72 HE2 HIS 72 14.067 15.294 -5.967 595 H HIS 73 H HIS 73 13.399 20.946 -2.483 596 HA HIS 73 HA HIS 73 11.599 22.565 -0.868 597 HB2 HIS 73 2HB HIS 73 14.586 22.243 -0.224 598 HB3 HIS 73 3HB HIS 73 13.598 23.568 0.383 599 HD1 HIS 73 HD1 HIS 73 11.688 22.895 2.088 600 HD2 HIS 73 HD2 HIS 73 14.416 19.888 1.240 601 HE1 HIS 73 HE1 HIS 73 11.349 21.167 3.868 602 HE2 HIS 73 HE2 HIS 73 12.836 19.270 3.182 603 H HIS 74 H HIS 74 11.329 24.403 -2.051 604 HA HIS 74 HA HIS 74 12.551 24.826 -4.536 605 HB2 HIS 74 2HB HIS 74 11.027 26.786 -2.790 606 HB3 HIS 74 3HB HIS 74 11.488 27.115 -4.458 607 HD1 HIS 74 HD1 HIS 74 8.786 25.721 -2.485 608 HD2 HIS 74 HD2 HIS 74 10.252 25.212 -6.334 609 HE1 HIS 74 HE1 HIS 74 6.923 24.652 -3.775 610 HE2 HIS 74 HE2 HIS 74 7.838 24.341 -6.098 611 H HIS 75 H HIS 75 14.203 26.155 -5.230 612 HA HIS 75 HA HIS 75 16.409 26.518 -3.504 613 HB2 HIS 75 2HB HIS 75 15.987 27.771 -6.251 614 HB3 HIS 75 3HB HIS 75 17.537 27.566 -5.433 615 HD1 HIS 75 HD1 HIS 75 15.198 25.859 -7.685 616 HD2 HIS 75 HD2 HIS 75 18.333 24.758 -5.202 617 HE1 HIS 75 HE1 HIS 75 15.846 23.546 -8.408 618 HE2 HIS 75 HE2 HIS 75 17.847 22.984 -7.002 619 H HIS 76 H HIS 76 16.144 27.845 -1.836 620 HA HIS 76 HA HIS 76 14.457 29.977 -1.508 621 HB2 HIS 76 2HB HIS 76 15.775 30.542 0.525 622 HB3 HIS 76 3HB HIS 76 15.454 28.819 0.389 623 HD1 HIS 76 HD1 HIS 76 18.069 30.991 1.323 624 HD2 HIS 76 HD2 HIS 76 17.938 27.507 -0.934 625 HE1 HIS 76 HE1 HIS 76 20.415 30.113 1.289 626 HE2 HIS 76 HE2 HIS 76 20.323 28.044 -0.112 627 H HIS 77 H HIS 77 14.409 31.619 -2.917 628 HA HIS 77 HA HIS 77 16.757 32.986 -3.900 629 HB2 HIS 77 2HB HIS 77 14.820 32.680 -5.394 630 HB3 HIS 77 3HB HIS 77 13.786 33.566 -4.281 631 HD1 HIS 77 HD1 HIS 77 14.005 36.145 -4.258 632 HD2 HIS 77 HD2 HIS 77 16.542 34.289 -6.972 633 HE1 HIS 77 HE1 HIS 77 14.916 37.986 -5.698 634 HE2 HIS 77 HE2 HIS 77 16.632 36.857 -7.143 Start of MODEL 19 1 H1 MET 1 1H MET 1 4.967 13.752 -4.050 2 H2 MET 1 2H MET 1 3.975 15.113 -4.130 3 H3 MET 1 3H MET 1 4.560 14.405 -5.551 4 HA MET 1 HA MET 1 2.763 13.114 -3.613 5 HB2 MET 1 2HB MET 1 1.021 13.379 -5.436 6 HB3 MET 1 3HB MET 1 1.517 14.877 -4.658 7 HG2 MET 1 2HG MET 1 2.495 13.915 -7.365 8 HG3 MET 1 3HG MET 1 1.245 15.136 -7.100 9 HE1 MET 1 3HE MET 1 4.397 17.141 -8.476 10 HE2 MET 1 1HE MET 1 2.731 16.665 -8.805 11 HE3 MET 1 2HE MET 1 4.025 15.464 -8.882 12 H VAL 2 H VAL 2 3.199 11.000 -3.644 13 HA VAL 2 HA VAL 2 4.445 9.780 -6.046 14 HB VAL 2 HB VAL 2 4.791 8.897 -3.141 15 HG11 VAL 2 1HG1 VAL 2 6.646 7.505 -4.009 16 HG12 VAL 2 2HG1 VAL 2 6.288 8.040 -5.653 17 HG13 VAL 2 3HG1 VAL 2 5.115 7.058 -4.770 18 HG21 VAL 2 3HG2 VAL 2 6.717 10.489 -4.875 19 HG22 VAL 2 1HG2 VAL 2 7.066 9.855 -3.264 20 HG23 VAL 2 2HG2 VAL 2 5.838 11.105 -3.472 21 H ASP 3 H ASP 3 3.240 8.301 -7.029 22 HA ASP 3 HA ASP 3 0.920 7.059 -5.779 23 HB2 ASP 3 2HB ASP 3 2.080 6.858 -8.596 24 HB3 ASP 3 3HB ASP 3 0.617 6.031 -8.071 25 H LEU 4 H LEU 4 1.350 5.328 -4.493 26 HA LEU 4 HA LEU 4 3.709 3.644 -4.987 27 HB2 LEU 4 2HB LEU 4 1.753 3.726 -2.659 28 HB3 LEU 4 3HB LEU 4 3.153 2.662 -2.751 29 HG LEU 4 HG LEU 4 3.233 5.708 -2.615 30 HD11 LEU 4 1HD1 LEU 4 2.565 4.728 -0.498 31 HD12 LEU 4 2HD1 LEU 4 4.199 5.378 -0.389 32 HD13 LEU 4 3HD1 LEU 4 3.954 3.635 -0.532 33 HD21 LEU 4 3HD2 LEU 4 5.109 4.873 -3.946 34 HD22 LEU 4 1HD2 LEU 4 5.530 3.714 -2.679 35 HD23 LEU 4 2HD2 LEU 4 5.686 5.449 -2.385 36 H LYS 5 H LYS 5 3.350 2.043 -6.420 37 HA LYS 5 HA LYS 5 0.877 0.443 -6.287 38 HB2 LYS 5 2HB LYS 5 3.198 0.189 -8.242 39 HB3 LYS 5 3HB LYS 5 1.661 -0.678 -8.313 40 HG2 LYS 5 2HG LYS 5 0.545 1.615 -8.609 41 HG3 LYS 5 3HG LYS 5 2.176 2.271 -8.834 42 HD2 LYS 5 2HD LYS 5 0.825 0.126 -10.533 43 HD3 LYS 5 3HD LYS 5 1.142 1.795 -11.012 44 HE2 LYS 5 2HE LYS 5 3.478 1.412 -11.199 45 HE3 LYS 5 3HE LYS 5 3.410 -0.071 -10.252 46 HZ1 LYS 5 3HZ LYS 5 3.691 -0.540 -12.582 47 HZ2 LYS 5 1HZ LYS 5 2.261 0.276 -12.961 48 HZ3 LYS 5 2HZ LYS 5 2.208 -1.136 -12.032 49 H ILE 6 H ILE 6 0.934 -1.226 -4.877 50 HA ILE 6 HA ILE 6 3.504 -2.547 -4.244 51 HB ILE 6 HB ILE 6 0.861 -2.653 -2.706 52 HG12 ILE 6 2HG1 ILE 6 2.397 -1.699 -0.815 53 HG13 ILE 6 3HG1 ILE 6 3.527 -1.307 -2.101 54 HG21 ILE 6 1HG2 ILE 6 3.481 -4.071 -2.082 55 HG22 ILE 6 2HG2 ILE 6 1.999 -4.845 -2.647 56 HG23 ILE 6 3HG2 ILE 6 2.041 -4.077 -1.061 57 HD11 ILE 6 3HD1 ILE 6 2.203 0.603 -1.421 58 HD12 ILE 6 1HD1 ILE 6 0.718 -0.247 -1.846 59 HD13 ILE 6 2HD1 ILE 6 1.885 0.180 -3.103 60 H ASP 7 H ASP 7 3.767 -4.158 -5.719 61 HA ASP 7 HA ASP 7 1.831 -5.746 -6.965 62 HB2 ASP 7 2HB ASP 7 4.048 -5.897 -7.828 63 HB3 ASP 7 3HB ASP 7 4.738 -6.235 -6.244 64 H VAL 8 H VAL 8 0.678 -7.567 -6.341 65 HA VAL 8 HA VAL 8 1.198 -8.764 -3.718 66 HB VAL 8 HB VAL 8 -1.351 -8.990 -3.387 67 HG11 VAL 8 1HG1 VAL 8 -0.218 -6.175 -3.212 68 HG12 VAL 8 2HG1 VAL 8 -0.008 -7.452 -2.010 69 HG13 VAL 8 3HG1 VAL 8 -1.616 -6.793 -2.324 70 HG21 VAL 8 3HG2 VAL 8 -2.083 -8.348 -5.668 71 HG22 VAL 8 1HG2 VAL 8 -1.475 -6.709 -5.405 72 HG23 VAL 8 2HG2 VAL 8 -2.827 -7.318 -4.443 73 H SER 9 H SER 9 1.440 -10.843 -3.961 74 HA SER 9 HA SER 9 1.065 -12.223 -6.446 75 HB2 SER 9 2HB SER 9 1.845 -13.316 -3.708 76 HB3 SER 9 3HB SER 9 2.083 -14.131 -5.253 77 HG SER 9 HG SER 9 3.349 -12.085 -5.750 78 H ASP 10 H ASP 10 -1.158 -11.521 -4.017 79 HA ASP 10 HA ASP 10 -3.024 -13.562 -4.961 80 HB2 ASP 10 2HB ASP 10 -1.792 -14.512 -2.942 81 HB3 ASP 10 3HB ASP 10 -2.465 -13.200 -1.976 82 H ASP 11 H ASP 11 -5.258 -13.153 -3.848 83 HA ASP 11 HA ASP 11 -5.868 -10.339 -4.409 84 HB2 ASP 11 2HB ASP 11 -7.819 -12.644 -4.006 85 HB3 ASP 11 3HB ASP 11 -8.186 -11.052 -4.662 86 H GLU 12 H GLU 12 -6.263 -12.782 -1.892 87 HA GLU 12 HA GLU 12 -7.605 -11.140 0.027 88 HB2 GLU 12 2HB GLU 12 -7.725 -13.624 0.036 89 HB3 GLU 12 3HB GLU 12 -6.004 -13.706 0.400 90 HG2 GLU 12 2HG GLU 12 -6.445 -12.526 2.563 91 HG3 GLU 12 3HG GLU 12 -8.172 -12.570 2.202 92 H GLU 13 H GLU 13 -4.226 -11.877 -0.718 93 HA GLU 13 HA GLU 13 -2.768 -10.728 1.309 94 HB2 GLU 13 2HB GLU 13 -1.814 -11.850 -0.713 95 HB3 GLU 13 3HB GLU 13 -2.280 -10.472 -1.697 96 HG2 GLU 13 2HG GLU 13 0.054 -10.243 -1.314 97 HG3 GLU 13 3HG GLU 13 -0.730 -9.044 -0.299 98 H ALA 14 H ALA 14 -4.428 -9.141 -1.361 99 HA ALA 14 HA ALA 14 -3.517 -6.521 -1.136 100 HB1 ALA 14 3HB ALA 14 -6.202 -7.535 -2.112 101 HB2 ALA 14 1HB ALA 14 -4.732 -7.396 -3.083 102 HB3 ALA 14 2HB ALA 14 -5.520 -5.944 -2.456 103 H GLU 15 H GLU 15 -6.243 -8.153 0.483 104 HA GLU 15 HA GLU 15 -7.619 -5.941 1.505 105 HB2 GLU 15 2HB GLU 15 -7.442 -8.721 2.746 106 HB3 GLU 15 3HB GLU 15 -8.694 -7.521 3.076 107 HG2 GLU 15 2HG GLU 15 -9.376 -7.655 0.682 108 HG3 GLU 15 3HG GLU 15 -8.192 -8.939 0.437 109 H LYS 16 H LYS 16 -4.918 -7.770 2.877 110 HA LYS 16 HA LYS 16 -4.877 -6.544 5.440 111 HB2 LYS 16 2HB LYS 16 -2.634 -7.887 3.889 112 HB3 LYS 16 3HB LYS 16 -2.540 -7.427 5.587 113 HG2 LYS 16 2HG LYS 16 -4.362 -9.014 6.115 114 HG3 LYS 16 3HG LYS 16 -4.439 -9.486 4.412 115 HD2 LYS 16 2HD LYS 16 -2.006 -9.798 6.225 116 HD3 LYS 16 3HD LYS 16 -3.121 -11.098 5.786 117 HE2 LYS 16 2HE LYS 16 -2.462 -10.936 3.446 118 HE3 LYS 16 3HE LYS 16 -1.484 -9.507 3.776 119 HZ1 LYS 16 3HZ LYS 16 -0.068 -11.382 3.592 120 HZ2 LYS 16 1HZ LYS 16 -0.961 -12.267 4.732 121 HZ3 LYS 16 2HZ LYS 16 -0.083 -10.903 5.212 122 H ILE 17 H ILE 17 -3.276 -5.804 2.378 123 HA ILE 17 HA ILE 17 -1.431 -3.872 3.343 124 HB ILE 17 HB ILE 17 -2.600 -4.195 0.538 125 HG12 ILE 17 2HG1 ILE 17 -1.669 -6.325 1.110 126 HG13 ILE 17 3HG1 ILE 17 -0.427 -5.548 0.139 127 HG21 ILE 17 1HG2 ILE 17 -0.510 -3.139 -0.274 128 HG22 ILE 17 2HG2 ILE 17 -0.016 -2.860 1.398 129 HG23 ILE 17 3HG2 ILE 17 -1.449 -2.054 0.754 130 HD11 ILE 17 3HD1 ILE 17 0.792 -4.973 2.203 131 HD12 ILE 17 1HD1 ILE 17 0.535 -6.706 2.020 132 HD13 ILE 17 2HD1 ILE 17 -0.456 -5.794 3.150 133 H ILE 18 H ILE 18 -4.561 -3.628 1.776 134 HA ILE 18 HA ILE 18 -4.780 -0.800 1.757 135 HB ILE 18 HB ILE 18 -6.968 -2.919 1.499 136 HG12 ILE 18 2HG1 ILE 18 -5.416 -1.483 -0.716 137 HG13 ILE 18 3HG1 ILE 18 -5.084 -3.123 -0.176 138 HG21 ILE 18 1HG2 ILE 18 -7.018 0.005 0.651 139 HG22 ILE 18 2HG2 ILE 18 -7.923 -0.698 1.992 140 HG23 ILE 18 3HG2 ILE 18 -8.292 -1.180 0.336 141 HD11 ILE 18 3HD1 ILE 18 -6.355 -3.127 -2.223 142 HD12 ILE 18 1HD1 ILE 18 -7.636 -2.175 -1.474 143 HD13 ILE 18 2HD1 ILE 18 -7.308 -3.818 -0.912 144 H ARG 19 H ARG 19 -5.854 -3.329 4.075 145 HA ARG 19 HA ARG 19 -7.520 -1.633 5.619 146 HB2 ARG 19 2HB ARG 19 -7.766 -3.352 7.194 147 HB3 ARG 19 3HB ARG 19 -7.443 -4.232 5.707 148 HG2 ARG 19 2HG ARG 19 -5.137 -4.628 6.406 149 HG3 ARG 19 3HG ARG 19 -5.364 -3.644 7.846 150 HD2 ARG 19 2HD ARG 19 -6.711 -6.290 7.233 151 HD3 ARG 19 3HD ARG 19 -5.435 -6.008 8.417 152 HE ARG 19 HE ARG 19 -8.237 -5.615 8.767 153 HH11 ARG 19 1HH1 ARG 19 -5.138 -4.323 9.875 154 HH12 ARG 19 2HH1 ARG 19 -5.803 -3.717 11.360 155 HH21 ARG 19 1HH2 ARG 19 -9.078 -4.782 10.685 156 HH22 ARG 19 2HH2 ARG 19 -8.040 -3.980 11.822 157 H GLU 20 H GLU 20 -4.052 -2.462 5.844 158 HA GLU 20 HA GLU 20 -3.543 -1.213 8.318 159 HB2 GLU 20 2HB GLU 20 -1.658 -1.751 5.987 160 HB3 GLU 20 3HB GLU 20 -1.134 -1.196 7.579 161 HG2 GLU 20 2HG GLU 20 -2.494 -3.831 6.944 162 HG3 GLU 20 3HG GLU 20 -0.794 -3.601 7.331 163 H ILE 21 H ILE 21 -3.183 0.017 4.959 164 HA ILE 21 HA ILE 21 -2.250 2.587 5.697 165 HB ILE 21 HB ILE 21 -3.832 1.913 3.184 166 HG12 ILE 21 2HG1 ILE 21 -1.953 0.336 3.351 167 HG13 ILE 21 3HG1 ILE 21 -1.611 1.512 2.093 168 HG21 ILE 21 1HG2 ILE 21 -1.810 4.125 3.746 169 HG22 ILE 21 2HG2 ILE 21 -3.551 4.329 3.539 170 HG23 ILE 21 3HG2 ILE 21 -2.568 3.797 2.176 171 HD11 ILE 21 3HD1 ILE 21 0.357 0.996 3.393 172 HD12 ILE 21 1HD1 ILE 21 -0.444 1.513 4.876 173 HD13 ILE 21 2HD1 ILE 21 -0.091 2.688 3.603 174 H ARG 22 H ARG 22 -5.563 1.314 5.247 175 HA ARG 22 HA ARG 22 -6.931 3.775 5.590 176 HB2 ARG 22 2HB ARG 22 -7.876 0.906 5.918 177 HB3 ARG 22 3HB ARG 22 -8.954 2.288 6.097 178 HG2 ARG 22 2HG ARG 22 -8.498 2.939 3.755 179 HG3 ARG 22 3HG ARG 22 -7.434 1.544 3.570 180 HD2 ARG 22 2HD ARG 22 -9.622 1.048 2.598 181 HD3 ARG 22 3HD ARG 22 -9.362 0.039 4.023 182 HE ARG 22 HE ARG 22 -10.709 2.095 5.082 183 HH11 ARG 22 1HH1 ARG 22 -11.451 0.145 2.218 184 HH12 ARG 22 2HH1 ARG 22 -13.164 0.379 2.375 185 HH21 ARG 22 1HH2 ARG 22 -12.923 2.418 5.231 186 HH22 ARG 22 2HH2 ARG 22 -14.000 1.674 4.092 187 H GLU 23 H GLU 23 -5.744 1.407 7.955 188 HA GLU 23 HA GLU 23 -7.338 2.360 10.150 189 HB2 GLU 23 2HB GLU 23 -4.864 0.595 10.072 190 HB3 GLU 23 3HB GLU 23 -5.686 1.020 11.574 191 HG2 GLU 23 2HG GLU 23 -6.846 -0.560 9.256 192 HG3 GLU 23 3HG GLU 23 -6.369 -1.194 10.827 193 H GLN 24 H GLN 24 -4.114 3.029 8.952 194 HA GLN 24 HA GLN 24 -3.372 4.800 11.151 195 HB2 GLN 24 2HB GLN 24 -1.962 4.327 8.488 196 HB3 GLN 24 3HB GLN 24 -1.262 5.079 9.920 197 HG2 GLN 24 2HG GLN 24 -1.241 2.997 11.111 198 HG3 GLN 24 3HG GLN 24 -2.253 2.216 9.899 199 HE21 GLN 24 1HE2 GLN 24 0.986 3.304 10.646 200 HE22 GLN 24 2HE2 GLN 24 1.768 2.498 9.333 201 H TRP 25 H TRP 25 -4.043 5.113 7.670 202 HA TRP 25 HA TRP 25 -4.787 7.965 7.995 203 HB2 TRP 25 2HB TRP 25 -3.627 6.661 5.497 204 HB3 TRP 25 3HB TRP 25 -3.991 8.373 5.706 205 HD1 TRP 25 HD1 TRP 25 -2.273 9.787 7.312 206 HE1 TRP 25 HE1 TRP 25 0.177 9.346 7.966 207 HE3 TRP 25 HE3 TRP 25 -1.909 4.876 5.901 208 HZ2 TRP 25 HZ2 TRP 25 2.021 7.223 7.888 209 HZ3 TRP 25 HZ3 TRP 25 0.241 3.712 6.219 210 HH2 TRP 25 HH2 TRP 25 2.167 4.866 7.192 211 HA PRO 26 HA PRO 26 -8.584 5.622 6.663 212 HB2 PRO 26 2HB PRO 26 -10.437 7.242 7.889 213 HB3 PRO 26 3HB PRO 26 -9.519 5.999 8.771 214 HG2 PRO 26 2HG PRO 26 -8.988 8.961 8.596 215 HG3 PRO 26 3HG PRO 26 -8.970 7.897 10.022 216 HD2 PRO 26 2HD PRO 26 -6.673 8.634 8.752 217 HD3 PRO 26 3HD PRO 26 -6.846 7.047 9.539 218 H LYS 27 H LYS 27 -7.573 8.854 6.117 219 HA LYS 27 HA LYS 27 -9.598 9.400 4.059 220 HB2 LYS 27 2HB LYS 27 -7.616 11.153 5.559 221 HB3 LYS 27 3HB LYS 27 -8.561 11.746 4.198 222 HG2 LYS 27 2HG LYS 27 -9.727 10.651 6.788 223 HG3 LYS 27 3HG LYS 27 -9.532 12.365 6.397 224 HD2 LYS 27 2HD LYS 27 -11.286 10.377 4.877 225 HD3 LYS 27 3HD LYS 27 -11.860 11.607 6.007 226 HE2 LYS 27 2HE LYS 27 -11.095 13.388 4.515 227 HE3 LYS 27 3HE LYS 27 -10.369 12.207 3.425 228 HZ1 LYS 27 3HZ LYS 27 -13.252 12.586 3.974 229 HZ2 LYS 27 1HZ LYS 27 -12.625 11.294 3.079 230 HZ3 LYS 27 2HZ LYS 27 -12.433 12.877 2.526 231 H ALA 28 H ALA 28 -7.492 7.444 3.457 232 HA ALA 28 HA ALA 28 -5.595 8.948 1.732 233 HB1 ALA 28 3HB ALA 28 -4.378 7.827 3.556 234 HB2 ALA 28 1HB ALA 28 -4.010 7.085 1.997 235 HB3 ALA 28 2HB ALA 28 -5.119 6.285 3.115 236 H THR 29 H THR 29 -6.376 8.720 -0.413 237 HA THR 29 HA THR 29 -8.051 6.673 -1.250 238 HB THR 29 HB THR 29 -6.211 8.374 -2.992 239 HG1 THR 29 HG1 THR 29 -8.741 8.842 -1.792 240 HG21 THR 29 3HG2 THR 29 -8.832 6.947 -3.648 241 HG22 THR 29 1HG2 THR 29 -7.234 6.486 -4.247 242 HG23 THR 29 2HG2 THR 29 -7.951 8.022 -4.734 243 H VAL 30 H VAL 30 -7.396 4.631 -0.930 244 HA VAL 30 HA VAL 30 -5.090 3.604 -2.480 245 HB VAL 30 HB VAL 30 -6.631 2.130 -0.286 246 HG11 VAL 30 1HG1 VAL 30 -3.939 1.513 -1.569 247 HG12 VAL 30 2HG1 VAL 30 -5.452 0.663 -1.898 248 HG13 VAL 30 3HG1 VAL 30 -4.723 0.573 -0.293 249 HG21 VAL 30 3HG2 VAL 30 -3.972 3.577 0.008 250 HG22 VAL 30 1HG2 VAL 30 -4.756 2.582 1.238 251 HG23 VAL 30 2HG2 VAL 30 -5.507 4.092 0.715 252 H THR 31 H THR 31 -5.811 2.890 -4.458 253 HA THR 31 HA THR 31 -8.537 1.879 -4.807 254 HB THR 31 HB THR 31 -6.284 2.482 -6.779 255 HG1 THR 31 HG1 THR 31 -7.092 4.394 -6.123 256 HG21 THR 31 3HG2 THR 31 -7.964 2.238 -8.573 257 HG22 THR 31 1HG2 THR 31 -9.162 1.706 -7.388 258 HG23 THR 31 2HG2 THR 31 -7.738 0.713 -7.713 259 H ARG 32 H ARG 32 -8.963 -0.295 -5.000 260 HA ARG 32 HA ARG 32 -6.821 -2.222 -4.638 261 HB2 ARG 32 2HB ARG 32 -8.873 -2.477 -3.334 262 HB3 ARG 32 3HB ARG 32 -9.858 -2.481 -4.795 263 HG2 ARG 32 2HG ARG 32 -8.820 -4.643 -5.466 264 HG3 ARG 32 3HG ARG 32 -7.841 -4.612 -3.995 265 HD2 ARG 32 2HD ARG 32 -9.808 -6.077 -3.749 266 HD3 ARG 32 3HD ARG 32 -9.842 -4.731 -2.607 267 HE ARG 32 HE ARG 32 -11.380 -4.619 -5.134 268 HH11 ARG 32 1HH1 ARG 32 -11.395 -4.586 -1.599 269 HH12 ARG 32 2HH1 ARG 32 -13.057 -4.113 -1.500 270 HH21 ARG 32 1HH2 ARG 32 -13.543 -4.012 -4.980 271 HH22 ARG 32 2HH2 ARG 32 -14.282 -3.786 -3.425 272 H THR 33 H THR 33 -5.994 -3.382 -6.291 273 HA THR 33 HA THR 33 -7.361 -3.602 -8.866 274 HB THR 33 HB THR 33 -4.463 -2.652 -8.607 275 HG1 THR 33 HG1 THR 33 -6.864 -1.255 -8.758 276 HG21 THR 33 3HG2 THR 33 -6.244 -2.843 -11.056 277 HG22 THR 33 1HG2 THR 33 -4.877 -3.908 -10.694 278 HG23 THR 33 2HG2 THR 33 -4.604 -2.191 -11.015 279 H ASN 34 H ASN 34 -7.029 -5.710 -9.697 280 HA ASN 34 HA ASN 34 -5.810 -7.651 -7.981 281 HB2 ASN 34 2HB ASN 34 -6.792 -7.926 -10.862 282 HB3 ASN 34 3HB ASN 34 -6.321 -9.272 -9.826 283 HD21 ASN 34 1HD2 ASN 34 -7.630 -9.767 -8.004 284 HD22 ASN 34 2HD2 ASN 34 -9.281 -9.280 -7.927 285 H GLY 35 H GLY 35 -3.662 -7.570 -7.688 286 HA2 GLY 35 2HA GLY 35 -1.535 -8.437 -8.563 287 HA3 GLY 35 3HA GLY 35 -1.835 -7.540 -10.043 288 H ASP 36 H ASP 36 -2.783 -5.137 -8.744 289 HA ASP 36 HA ASP 36 -0.249 -4.104 -7.561 290 HB2 ASP 36 2HB ASP 36 -2.060 -2.751 -9.618 291 HB3 ASP 36 3HB ASP 36 -0.786 -1.906 -8.746 292 H ILE 37 H ILE 37 -0.520 -2.906 -5.728 293 HA ILE 37 HA ILE 37 -3.224 -1.980 -4.937 294 HB ILE 37 HB ILE 37 -0.649 -2.067 -3.289 295 HG12 ILE 37 2HG1 ILE 37 -1.496 -4.331 -3.770 296 HG13 ILE 37 3HG1 ILE 37 -1.714 -3.962 -2.061 297 HG21 ILE 37 1HG2 ILE 37 -3.460 -1.351 -2.386 298 HG22 ILE 37 2HG2 ILE 37 -2.090 -0.249 -2.507 299 HG23 ILE 37 3HG2 ILE 37 -2.062 -1.552 -1.318 300 HD11 ILE 37 3HD1 ILE 37 -3.617 -5.120 -2.991 301 HD12 ILE 37 1HD1 ILE 37 -3.847 -3.859 -4.194 302 HD13 ILE 37 2HD1 ILE 37 -4.085 -3.501 -2.478 303 H LYS 38 H LYS 38 -3.591 -0.053 -5.971 304 HA LYS 38 HA LYS 38 -1.422 1.870 -6.353 305 HB2 LYS 38 2HB LYS 38 -4.282 1.705 -7.352 306 HB3 LYS 38 3HB LYS 38 -3.397 3.229 -7.443 307 HG2 LYS 38 2HG LYS 38 -1.584 1.903 -8.710 308 HG3 LYS 38 3HG LYS 38 -2.783 0.609 -8.855 309 HD2 LYS 38 2HD LYS 38 -3.152 3.473 -9.841 310 HD3 LYS 38 3HD LYS 38 -2.668 2.112 -10.856 311 HE2 LYS 38 2HE LYS 38 -5.296 2.247 -9.326 312 HE3 LYS 38 3HE LYS 38 -5.101 2.688 -11.024 313 HZ1 LYS 38 3HZ LYS 38 -4.582 0.004 -9.862 314 HZ2 LYS 38 1HZ LYS 38 -4.379 0.425 -11.489 315 HZ3 LYS 38 2HZ LYS 38 -5.918 0.442 -10.794 316 H LEU 39 H LEU 39 -1.218 3.736 -5.262 317 HA LEU 39 HA LEU 39 -3.066 4.463 -3.091 318 HB2 LEU 39 2HB LEU 39 -1.188 2.751 -2.423 319 HB3 LEU 39 3HB LEU 39 -0.075 4.090 -2.614 320 HG LEU 39 HG LEU 39 -2.386 4.075 -0.622 321 HD11 LEU 39 1HD1 LEU 39 -0.819 2.294 -0.063 322 HD12 LEU 39 2HD1 LEU 39 -0.696 3.605 1.108 323 HD13 LEU 39 3HD1 LEU 39 0.538 3.423 -0.143 324 HD21 LEU 39 3HD2 LEU 39 -1.216 5.949 0.449 325 HD22 LEU 39 1HD2 LEU 39 -1.617 6.341 -1.220 326 HD23 LEU 39 2HD2 LEU 39 0.037 5.899 -0.796 327 H ASP 40 H ASP 40 -3.022 6.680 -2.712 328 HA ASP 40 HA ASP 40 -1.235 8.354 -4.408 329 HB2 ASP 40 2HB ASP 40 -4.043 8.993 -3.373 330 HB3 ASP 40 3HB ASP 40 -3.009 10.135 -4.223 331 H ALA 41 H ALA 41 0.406 8.903 -3.066 332 HA ALA 41 HA ALA 41 -0.048 9.488 -0.237 333 HB1 ALA 41 3HB ALA 41 2.401 9.670 -0.083 334 HB2 ALA 41 1HB ALA 41 2.530 9.505 -1.838 335 HB3 ALA 41 2HB ALA 41 1.924 8.160 -0.867 336 H GLN 42 H GLN 42 -0.350 11.485 0.559 337 HA GLN 42 HA GLN 42 -0.514 13.773 -1.153 338 HB2 GLN 42 2HB GLN 42 -0.715 13.661 1.885 339 HB3 GLN 42 3HB GLN 42 -1.186 15.020 0.870 340 HG2 GLN 42 2HG GLN 42 -2.469 12.275 0.886 341 HG3 GLN 42 3HG GLN 42 -3.133 13.744 1.598 342 HE21 GLN 42 1HE2 GLN 42 -4.155 11.935 -0.527 343 HE22 GLN 42 2HE2 GLN 42 -4.514 12.967 -1.867 344 H THR 43 H THR 43 2.027 12.470 0.801 345 HA THR 43 HA THR 43 3.874 14.327 -0.406 346 HB THR 43 HB THR 43 3.232 15.574 1.689 347 HG1 THR 43 HG1 THR 43 5.406 15.980 2.271 348 HG21 THR 43 3HG2 THR 43 2.853 13.649 3.213 349 HG22 THR 43 1HG2 THR 43 4.031 14.784 3.884 350 HG23 THR 43 2HG2 THR 43 4.575 13.270 3.157 351 H GLU 44 H GLU 44 6.171 13.760 0.343 352 HA GLU 44 HA GLU 44 6.659 11.058 -0.373 353 HB2 GLU 44 2HB GLU 44 8.486 13.342 0.459 354 HB3 GLU 44 3HB GLU 44 9.114 11.747 0.076 355 HG2 GLU 44 2HG GLU 44 9.326 13.244 -1.835 356 HG3 GLU 44 3HG GLU 44 8.255 11.893 -2.194 357 H LYS 45 H LYS 45 6.974 12.860 2.685 358 HA LYS 45 HA LYS 45 8.336 10.888 4.171 359 HB2 LYS 45 2HB LYS 45 8.078 13.318 4.818 360 HB3 LYS 45 3HB LYS 45 6.411 12.986 5.264 361 HG2 LYS 45 2HG LYS 45 7.733 13.016 7.273 362 HG3 LYS 45 3HG LYS 45 7.244 11.348 6.977 363 HD2 LYS 45 2HD LYS 45 9.579 11.404 7.695 364 HD3 LYS 45 3HD LYS 45 9.496 10.866 6.017 365 HE2 LYS 45 2HE LYS 45 10.141 13.141 5.273 366 HE3 LYS 45 3HE LYS 45 10.211 13.669 6.954 367 HZ1 LYS 45 3HZ LYS 45 11.976 12.054 7.328 368 HZ2 LYS 45 1HZ LYS 45 12.393 13.169 6.127 369 HZ3 LYS 45 2HZ LYS 45 11.930 11.599 5.703 370 H GLU 46 H GLU 46 4.896 11.634 3.835 371 HA GLU 46 HA GLU 46 3.834 9.620 5.445 372 HB2 GLU 46 2HB GLU 46 2.743 11.698 4.036 373 HB3 GLU 46 3HB GLU 46 2.244 10.361 3.015 374 HG2 GLU 46 2HG GLU 46 0.464 10.767 4.546 375 HG3 GLU 46 3HG GLU 46 1.236 9.261 5.043 376 H ALA 47 H ALA 47 4.476 9.625 1.926 377 HA ALA 47 HA ALA 47 3.742 7.107 1.182 378 HB1 ALA 47 3HB ALA 47 4.579 8.822 -0.385 379 HB2 ALA 47 1HB ALA 47 5.373 7.264 -0.638 380 HB3 ALA 47 2HB ALA 47 6.221 8.564 0.207 381 H GLU 48 H GLU 48 6.895 8.013 2.618 382 HA GLU 48 HA GLU 48 8.220 5.576 2.467 383 HB2 GLU 48 2HB GLU 48 8.438 7.663 4.676 384 HB3 GLU 48 3HB GLU 48 9.620 6.392 4.358 385 HG2 GLU 48 2HG GLU 48 8.922 8.724 2.546 386 HG3 GLU 48 3HG GLU 48 10.389 8.533 3.494 387 H LYS 49 H LYS 49 5.940 6.726 4.888 388 HA LYS 49 HA LYS 49 6.329 4.585 6.790 389 HB2 LYS 49 2HB LYS 49 3.984 6.509 6.549 390 HB3 LYS 49 3HB LYS 49 4.495 5.629 7.991 391 HG2 LYS 49 2HG LYS 49 6.498 6.993 8.165 392 HG3 LYS 49 3HG LYS 49 6.128 7.789 6.624 393 HD2 LYS 49 2HD LYS 49 3.966 8.605 7.657 394 HD3 LYS 49 3HD LYS 49 4.514 7.953 9.204 395 HE2 LYS 49 2HE LYS 49 6.384 9.514 9.233 396 HE3 LYS 49 3HE LYS 49 5.979 10.085 7.611 397 HZ1 LYS 49 3HZ LYS 49 4.231 10.363 10.000 398 HZ2 LYS 49 1HZ LYS 49 3.911 10.968 8.453 399 HZ3 LYS 49 2HZ LYS 49 5.200 11.587 9.360 400 H MET 50 H MET 50 3.923 5.508 4.469 401 HA MET 50 HA MET 50 1.972 3.550 4.673 402 HB2 MET 50 2HB MET 50 2.928 5.029 2.200 403 HB3 MET 50 3HB MET 50 1.539 3.949 2.162 404 HG2 MET 50 2HG MET 50 0.343 5.328 3.722 405 HG3 MET 50 3HG MET 50 1.760 6.345 3.994 406 HE1 MET 50 3HE MET 50 -1.342 7.144 3.077 407 HE2 MET 50 1HE MET 50 -0.971 8.497 2.010 408 HE3 MET 50 2HE MET 50 -0.131 8.338 3.553 409 H GLU 51 H GLU 51 4.551 3.451 2.210 410 HA GLU 51 HA GLU 51 4.226 0.780 1.444 411 HB2 GLU 51 2HB GLU 51 6.371 1.077 0.264 412 HB3 GLU 51 3HB GLU 51 5.360 2.501 0.068 413 HG2 GLU 51 2HG GLU 51 6.665 3.551 1.961 414 HG3 GLU 51 3HG GLU 51 7.780 2.191 1.870 415 H LYS 52 H LYS 52 6.053 2.168 4.117 416 HA LYS 52 HA LYS 52 7.720 -0.080 4.704 417 HB2 LYS 52 2HB LYS 52 8.237 2.201 5.513 418 HB3 LYS 52 3HB LYS 52 6.805 2.175 6.537 419 HG2 LYS 52 2HG LYS 52 7.776 0.362 7.886 420 HG3 LYS 52 3HG LYS 52 9.183 0.307 6.816 421 HD2 LYS 52 2HD LYS 52 9.720 2.674 7.469 422 HD3 LYS 52 3HD LYS 52 8.373 2.637 8.615 423 HE2 LYS 52 2HE LYS 52 9.461 0.822 9.853 424 HE3 LYS 52 3HE LYS 52 10.780 0.780 8.682 425 HZ1 LYS 52 3HZ LYS 52 11.460 1.983 10.618 426 HZ2 LYS 52 1HZ LYS 52 10.118 3.012 10.524 427 HZ3 LYS 52 2HZ LYS 52 11.314 3.072 9.335 428 H ALA 53 H ALA 53 4.582 1.028 5.897 429 HA ALA 53 HA ALA 53 4.070 -0.911 7.860 430 HB1 ALA 53 3HB ALA 53 2.777 1.165 7.646 431 HB2 ALA 53 1HB ALA 53 1.705 -0.241 7.604 432 HB3 ALA 53 2HB ALA 53 2.112 0.609 6.109 433 H VAL 54 H VAL 54 3.564 -0.880 4.385 434 HA VAL 54 HA VAL 54 2.246 -3.353 4.058 435 HB VAL 54 HB VAL 54 4.090 -1.846 2.151 436 HG11 VAL 54 1HG1 VAL 54 2.978 -3.100 0.336 437 HG12 VAL 54 2HG1 VAL 54 2.083 -4.038 1.530 438 HG13 VAL 54 3HG1 VAL 54 3.839 -4.179 1.433 439 HG21 VAL 54 3HG2 VAL 54 2.164 -0.484 2.873 440 HG22 VAL 54 1HG2 VAL 54 1.056 -1.771 2.390 441 HG23 VAL 54 2HG2 VAL 54 2.013 -0.924 1.169 442 H LYS 55 H LYS 55 5.708 -2.452 3.968 443 HA LYS 55 HA LYS 55 6.832 -4.959 3.370 444 HB2 LYS 55 2HB LYS 55 8.034 -2.619 4.916 445 HB3 LYS 55 3HB LYS 55 8.969 -4.005 4.350 446 HG2 LYS 55 2HG LYS 55 8.603 -3.401 2.055 447 HG3 LYS 55 3HG LYS 55 7.379 -2.210 2.496 448 HD2 LYS 55 2HD LYS 55 9.350 -0.991 1.983 449 HD3 LYS 55 3HD LYS 55 9.176 -0.932 3.726 450 HE2 LYS 55 2HE LYS 55 11.512 -1.301 3.135 451 HE3 LYS 55 3HE LYS 55 10.880 -2.739 3.935 452 HZ1 LYS 55 3HZ LYS 55 10.656 -3.813 1.803 453 HZ2 LYS 55 1HZ LYS 55 12.239 -3.257 1.975 454 HZ3 LYS 55 2HZ LYS 55 11.154 -2.419 0.988 455 H LYS 56 H LYS 56 5.619 -3.695 6.407 456 HA LYS 56 HA LYS 56 6.709 -5.684 8.147 457 HB2 LYS 56 2HB LYS 56 4.605 -3.553 8.377 458 HB3 LYS 56 3HB LYS 56 4.469 -4.883 9.501 459 HG2 LYS 56 2HG LYS 56 5.613 -3.149 10.628 460 HG3 LYS 56 3HG LYS 56 6.801 -4.404 10.296 461 HD2 LYS 56 2HD LYS 56 6.529 -1.969 8.498 462 HD3 LYS 56 3HD LYS 56 7.471 -1.909 9.986 463 HE2 LYS 56 2HE LYS 56 7.983 -3.778 7.642 464 HE3 LYS 56 3HE LYS 56 8.907 -2.328 8.037 465 HZ1 LYS 56 3HZ LYS 56 8.674 -4.731 9.783 466 HZ2 LYS 56 1HZ LYS 56 9.603 -3.355 10.100 467 HZ3 LYS 56 2HZ LYS 56 10.002 -4.363 8.800 468 H VAL 57 H VAL 57 3.727 -5.431 6.259 469 HA VAL 57 HA VAL 57 2.528 -7.880 7.224 470 HB VAL 57 HB VAL 57 1.812 -6.250 4.739 471 HG11 VAL 57 1HG1 VAL 57 0.808 -8.495 4.692 472 HG12 VAL 57 2HG1 VAL 57 -0.439 -7.279 4.978 473 HG13 VAL 57 3HG1 VAL 57 0.160 -8.259 6.319 474 HG21 VAL 57 3HG2 VAL 57 0.094 -5.151 6.149 475 HG22 VAL 57 1HG2 VAL 57 1.727 -4.826 6.742 476 HG23 VAL 57 2HG2 VAL 57 0.709 -6.012 7.564 477 H LYS 58 H LYS 58 4.767 -7.028 4.750 478 HA LYS 58 HA LYS 58 5.155 -9.717 3.855 479 HB2 LYS 58 2HB LYS 58 4.771 -9.114 1.372 480 HB3 LYS 58 3HB LYS 58 3.355 -9.446 2.363 481 HG2 LYS 58 2HG LYS 58 2.996 -6.977 2.606 482 HG3 LYS 58 3HG LYS 58 4.345 -6.700 1.499 483 HD2 LYS 58 2HD LYS 58 1.854 -8.313 0.794 484 HD3 LYS 58 3HD LYS 58 2.043 -6.596 0.434 485 HE2 LYS 58 2HE LYS 58 3.844 -7.033 -1.078 486 HE3 LYS 58 3HE LYS 58 3.939 -8.729 -0.584 487 HZ1 LYS 58 3HZ LYS 58 1.717 -9.040 -1.481 488 HZ2 LYS 58 1HZ LYS 58 2.810 -8.514 -2.659 489 HZ3 LYS 58 2HZ LYS 58 1.694 -7.431 -2.005 490 HA PRO 59 HA PRO 59 9.098 -7.316 3.797 491 HB2 PRO 59 2HB PRO 59 10.296 -10.049 3.998 492 HB3 PRO 59 3HB PRO 59 10.513 -8.645 5.065 493 HG2 PRO 59 2HG PRO 59 9.094 -10.762 5.884 494 HG3 PRO 59 3HG PRO 59 8.603 -9.105 6.309 495 HD2 PRO 59 2HD PRO 59 7.493 -10.886 4.132 496 HD3 PRO 59 3HD PRO 59 6.619 -9.903 5.333 497 H ASN 60 H ASN 60 7.782 -9.592 1.640 498 HA ASN 60 HA ASN 60 9.929 -9.284 -0.361 499 HB2 ASN 60 2HB ASN 60 7.498 -11.131 -0.324 500 HB3 ASN 60 3HB ASN 60 8.738 -11.113 -1.573 501 HD21 ASN 60 1HD2 ASN 60 10.818 -11.978 -1.080 502 HD22 ASN 60 2HD2 ASN 60 11.081 -12.963 0.318 503 H ALA 61 H ALA 61 7.590 -7.368 0.567 504 HA ALA 61 HA ALA 61 5.838 -6.851 -1.523 505 HB1 ALA 61 3HB ALA 61 5.614 -4.579 -0.588 506 HB2 ALA 61 1HB ALA 61 7.093 -4.807 0.353 507 HB3 ALA 61 2HB ALA 61 5.667 -5.786 0.698 508 H THR 62 H THR 62 6.294 -6.495 -3.588 509 HA THR 62 HA THR 62 8.703 -5.083 -4.492 510 HB THR 62 HB THR 62 6.503 -6.556 -6.032 511 HG1 THR 62 HG1 THR 62 7.873 -7.888 -4.709 512 HG21 THR 62 3HG2 THR 62 7.589 -4.862 -7.471 513 HG22 THR 62 1HG2 THR 62 8.047 -6.496 -7.961 514 HG23 THR 62 2HG2 THR 62 9.176 -5.504 -7.037 515 H ILE 63 H ILE 63 8.395 -2.896 -4.242 516 HA ILE 63 HA ILE 63 5.748 -1.692 -4.768 517 HB ILE 63 HB ILE 63 8.028 -0.773 -2.943 518 HG12 ILE 63 2HG1 ILE 63 5.256 -1.832 -2.220 519 HG13 ILE 63 3HG1 ILE 63 6.719 -2.806 -2.182 520 HG21 ILE 63 1HG2 ILE 63 6.843 1.183 -3.855 521 HG22 ILE 63 2HG2 ILE 63 6.464 0.981 -2.141 522 HG23 ILE 63 3HG2 ILE 63 5.290 0.489 -3.365 523 HD11 ILE 63 3HD1 ILE 63 7.608 -1.219 -0.461 524 HD12 ILE 63 1HD1 ILE 63 6.202 -2.169 0.024 525 HD13 ILE 63 2HD1 ILE 63 6.005 -0.482 -0.431 526 H ARG 64 H ARG 64 5.586 -0.160 -6.271 527 HA ARG 64 HA ARG 64 7.958 0.852 -7.698 528 HB2 ARG 64 2HB ARG 64 5.112 0.339 -8.656 529 HB3 ARG 64 3HB ARG 64 6.195 1.404 -9.532 530 HG2 ARG 64 2HG ARG 64 6.229 -0.704 -10.633 531 HG3 ARG 64 3HG ARG 64 7.780 -0.499 -9.827 532 HD2 ARG 64 2HD ARG 64 7.173 -2.085 -8.101 533 HD3 ARG 64 3HD ARG 64 5.506 -2.158 -8.678 534 HE ARG 64 HE ARG 64 6.147 -3.565 -10.388 535 HH11 ARG 64 1HH1 ARG 64 9.065 -2.381 -8.783 536 HH12 ARG 64 2HH1 ARG 64 10.096 -3.523 -9.578 537 HH21 ARG 64 1HH2 ARG 64 7.519 -5.041 -11.410 538 HH22 ARG 64 2HH2 ARG 64 9.225 -5.032 -11.068 539 H LYS 65 H LYS 65 8.415 2.875 -7.082 540 HA LYS 65 HA LYS 65 6.368 4.741 -6.135 541 HB2 LYS 65 2HB LYS 65 9.356 4.969 -6.614 542 HB3 LYS 65 3HB LYS 65 8.382 6.371 -6.177 543 HG2 LYS 65 2HG LYS 65 7.870 5.444 -4.024 544 HG3 LYS 65 3HG LYS 65 8.531 3.867 -4.475 545 HD2 LYS 65 2HD LYS 65 10.790 4.849 -4.627 546 HD3 LYS 65 3HD LYS 65 10.142 6.437 -4.205 547 HE2 LYS 65 2HE LYS 65 10.026 3.988 -2.416 548 HE3 LYS 65 3HE LYS 65 11.232 5.270 -2.286 549 HZ1 LYS 65 3HZ LYS 65 8.299 5.578 -1.927 550 HZ2 LYS 65 1HZ LYS 65 9.429 6.843 -1.865 551 HZ3 LYS 65 2HZ LYS 65 9.468 5.611 -0.715 552 H THR 66 H THR 66 5.007 5.030 -7.882 553 HA THR 66 HA THR 66 5.953 6.108 -10.420 554 HB THR 66 HB THR 66 3.097 5.626 -9.439 555 HG1 THR 66 HG1 THR 66 4.739 3.816 -10.892 556 HG21 THR 66 3HG2 THR 66 2.552 5.315 -11.822 557 HG22 THR 66 1HG2 THR 66 4.223 5.672 -12.258 558 HG23 THR 66 2HG2 THR 66 3.210 6.931 -11.544 559 H GLY 67 H GLY 67 4.585 8.160 -11.183 560 HA2 GLY 67 2HA GLY 67 3.952 10.363 -10.889 561 HA3 GLY 67 3HA GLY 67 3.821 10.070 -9.157 562 H GLY 68 H GLY 68 4.916 11.999 -8.567 563 HA2 GLY 68 2HA GLY 68 7.794 11.848 -8.560 564 HA3 GLY 68 3HA GLY 68 7.207 13.072 -9.679 565 H SER 69 H SER 69 8.836 13.719 -7.588 566 HA SER 69 HA SER 69 7.169 14.945 -5.486 567 HB2 SER 69 2HB SER 69 10.210 14.698 -5.653 568 HB3 SER 69 3HB SER 69 9.255 15.161 -4.233 569 HG SER 69 HG SER 69 8.244 13.020 -4.490 570 H LEU 70 H LEU 70 6.710 17.123 -5.630 571 HA LEU 70 HA LEU 70 7.778 18.753 -7.708 572 HB2 LEU 70 2HB LEU 70 6.533 20.641 -6.652 573 HB3 LEU 70 3HB LEU 70 5.550 19.240 -7.018 574 HG LEU 70 HG LEU 70 5.773 18.660 -4.471 575 HD11 LEU 70 1HD1 LEU 70 6.097 20.563 -2.949 576 HD12 LEU 70 2HD1 LEU 70 6.546 21.586 -4.318 577 HD13 LEU 70 3HD1 LEU 70 7.559 20.214 -3.866 578 HD21 LEU 70 3HD2 LEU 70 4.164 21.081 -5.322 579 HD22 LEU 70 1HD2 LEU 70 3.863 20.082 -3.895 580 HD23 LEU 70 2HD2 LEU 70 3.684 19.391 -5.507 581 H GLU 71 H GLU 71 9.243 20.508 -7.606 582 HA GLU 71 HA GLU 71 11.217 20.318 -5.406 583 HB2 GLU 71 2HB GLU 71 12.050 19.828 -7.718 584 HB3 GLU 71 3HB GLU 71 11.567 21.447 -8.220 585 HG2 GLU 71 2HG GLU 71 13.155 22.347 -6.430 586 HG3 GLU 71 3HG GLU 71 13.756 20.699 -6.242 587 H HIS 72 H HIS 72 11.073 21.906 -3.958 588 HA HIS 72 HA HIS 72 10.284 24.648 -4.667 589 HB2 HIS 72 2HB HIS 72 9.445 23.660 -2.526 590 HB3 HIS 72 3HB HIS 72 11.099 23.424 -1.983 591 HD1 HIS 72 HD1 HIS 72 11.962 25.214 -0.517 592 HD2 HIS 72 HD2 HIS 72 8.881 26.585 -2.946 593 HE1 HIS 72 HE1 HIS 72 11.488 27.551 0.240 594 HE2 HIS 72 HE2 HIS 72 9.699 28.399 -1.306 595 H HIS 73 H HIS 73 11.867 25.638 -5.763 596 HA HIS 73 HA HIS 73 14.532 24.841 -5.969 597 HB2 HIS 73 2HB HIS 73 13.436 26.097 -7.749 598 HB3 HIS 73 3HB HIS 73 13.198 27.484 -6.694 599 HD1 HIS 73 HD1 HIS 73 14.950 29.274 -6.848 600 HD2 HIS 73 HD2 HIS 73 16.308 25.655 -8.365 601 HE1 HIS 73 HE1 HIS 73 17.177 29.776 -7.893 602 HE2 HIS 73 HE2 HIS 73 17.971 27.564 -8.798 603 H HIS 74 H HIS 74 16.039 24.924 -4.448 604 HA HIS 74 HA HIS 74 16.266 26.959 -2.394 605 HB2 HIS 74 2HB HIS 74 18.233 24.751 -3.210 606 HB3 HIS 74 3HB HIS 74 18.351 25.735 -1.756 607 HD1 HIS 74 HD1 HIS 74 17.639 24.431 0.245 608 HD2 HIS 74 HD2 HIS 74 15.503 23.290 -3.129 609 HE1 HIS 74 HE1 HIS 74 16.132 22.573 0.990 610 HE2 HIS 74 HE2 HIS 74 14.988 21.786 -1.104 611 H HIS 75 H HIS 75 18.775 27.810 -2.238 612 HA HIS 75 HA HIS 75 20.208 29.411 -2.904 613 HB2 HIS 75 2HB HIS 75 19.731 28.287 -5.692 614 HB3 HIS 75 3HB HIS 75 20.813 29.639 -5.406 615 HD1 HIS 75 HD1 HIS 75 21.002 26.188 -5.960 616 HD2 HIS 75 HD2 HIS 75 22.797 28.751 -3.231 617 HE1 HIS 75 HE1 HIS 75 23.103 25.034 -5.225 618 HE2 HIS 75 HE2 HIS 75 24.233 26.661 -3.673 619 H HIS 76 H HIS 76 18.725 30.878 -2.055 620 HA HIS 76 HA HIS 76 18.073 33.026 -3.855 621 HB2 HIS 76 2HB HIS 76 15.652 33.224 -3.127 622 HB3 HIS 76 3HB HIS 76 15.984 31.868 -4.188 623 HD1 HIS 76 HD1 HIS 76 15.285 29.592 -3.389 624 HD2 HIS 76 HD2 HIS 76 15.133 32.431 -0.356 625 HE1 HIS 76 HE1 HIS 76 14.191 28.450 -1.443 626 HE2 HIS 76 HE2 HIS 76 13.941 30.243 0.296 627 H HIS 77 H HIS 77 19.789 32.426 -1.540 628 HA HIS 77 HA HIS 77 18.889 34.166 0.606 629 HB2 HIS 77 2HB HIS 77 20.314 32.269 1.203 630 HB3 HIS 77 3HB HIS 77 21.576 32.807 0.104 631 HD1 HIS 77 HD1 HIS 77 23.086 34.769 0.882 632 HD2 HIS 77 HD2 HIS 77 20.253 33.629 3.710 633 HE1 HIS 77 HE1 HIS 77 23.788 35.866 3.033 634 HE2 HIS 77 HE2 HIS 77 22.048 35.174 4.719 Start of MODEL 20 1 H1 MET 1 1H MET 1 2.104 13.958 -3.530 2 H2 MET 1 2H MET 1 0.670 14.662 -4.072 3 H3 MET 1 3H MET 1 1.944 14.399 -5.151 4 HA MET 1 HA MET 1 0.454 12.307 -3.713 5 HB2 MET 1 2HB MET 1 -0.492 11.725 -5.999 6 HB3 MET 1 3HB MET 1 -1.079 13.220 -5.293 7 HG2 MET 1 2HG MET 1 0.387 14.520 -6.761 8 HG3 MET 1 3HG MET 1 1.044 13.033 -7.444 9 HE1 MET 1 3HE MET 1 -3.385 14.268 -7.998 10 HE2 MET 1 1HE MET 1 -2.249 15.201 -7.025 11 HE3 MET 1 2HE MET 1 -2.764 13.600 -6.489 12 H VAL 2 H VAL 2 1.834 10.717 -3.301 13 HA VAL 2 HA VAL 2 3.752 9.829 -5.365 14 HB VAL 2 HB VAL 2 3.747 9.131 -2.382 15 HG11 VAL 2 1HG1 VAL 2 5.835 8.563 -4.534 16 HG12 VAL 2 2HG1 VAL 2 4.767 7.372 -3.788 17 HG13 VAL 2 3HG1 VAL 2 5.999 8.180 -2.816 18 HG21 VAL 2 3HG2 VAL 2 4.289 11.528 -2.685 19 HG22 VAL 2 1HG2 VAL 2 5.548 11.112 -3.855 20 HG23 VAL 2 2HG2 VAL 2 5.715 10.630 -2.165 21 H ASP 3 H ASP 3 3.081 8.157 -6.455 22 HA ASP 3 HA ASP 3 0.741 6.589 -5.623 23 HB2 ASP 3 2HB ASP 3 0.735 7.859 -7.812 24 HB3 ASP 3 3HB ASP 3 2.082 6.867 -8.360 25 H LEU 4 H LEU 4 1.492 4.917 -4.403 26 HA LEU 4 HA LEU 4 3.903 3.403 -5.176 27 HB2 LEU 4 2HB LEU 4 2.240 3.372 -2.623 28 HB3 LEU 4 3HB LEU 4 3.679 2.394 -2.892 29 HG LEU 4 HG LEU 4 3.633 5.441 -2.806 30 HD11 LEU 4 1HD1 LEU 4 4.754 5.226 -0.632 31 HD12 LEU 4 2HD1 LEU 4 4.560 3.473 -0.698 32 HD13 LEU 4 3HD1 LEU 4 3.140 4.519 -0.612 33 HD21 LEU 4 3HD2 LEU 4 5.450 4.611 -4.240 34 HD22 LEU 4 1HD2 LEU 4 6.002 3.526 -2.960 35 HD23 LEU 4 2HD2 LEU 4 6.109 5.275 -2.750 36 H LYS 5 H LYS 5 3.550 1.732 -6.453 37 HA LYS 5 HA LYS 5 0.986 0.261 -6.447 38 HB2 LYS 5 2HB LYS 5 3.361 0.049 -8.346 39 HB3 LYS 5 3HB LYS 5 1.796 -0.742 -8.548 40 HG2 LYS 5 2HG LYS 5 0.700 1.414 -8.847 41 HG3 LYS 5 3HG LYS 5 2.215 2.270 -8.518 42 HD2 LYS 5 2HD LYS 5 3.224 1.318 -10.546 43 HD3 LYS 5 3HD LYS 5 1.773 0.360 -10.852 44 HE2 LYS 5 2HE LYS 5 0.481 2.469 -11.130 45 HE3 LYS 5 3HE LYS 5 1.973 3.388 -10.897 46 HZ1 LYS 5 3HZ LYS 5 1.527 3.162 -13.213 47 HZ2 LYS 5 1HZ LYS 5 1.392 1.483 -13.088 48 HZ3 LYS 5 2HZ LYS 5 2.885 2.226 -12.839 49 H ILE 6 H ILE 6 0.913 -1.459 -5.093 50 HA ILE 6 HA ILE 6 3.418 -2.871 -4.377 51 HB ILE 6 HB ILE 6 0.755 -2.722 -2.876 52 HG12 ILE 6 2HG1 ILE 6 2.374 -1.847 -0.999 53 HG13 ILE 6 3HG1 ILE 6 3.534 -1.590 -2.293 54 HG21 ILE 6 1HG2 ILE 6 1.786 -4.166 -1.134 55 HG22 ILE 6 2HG2 ILE 6 3.200 -4.395 -2.165 56 HG23 ILE 6 3HG2 ILE 6 1.626 -5.006 -2.677 57 HD11 ILE 6 3HD1 ILE 6 2.378 0.442 -1.689 58 HD12 ILE 6 1HD1 ILE 6 0.821 -0.301 -2.046 59 HD13 ILE 6 2HD1 ILE 6 1.984 -0.018 -3.344 60 H ASP 7 H ASP 7 3.653 -4.496 -5.818 61 HA ASP 7 HA ASP 7 1.638 -6.046 -7.029 62 HB2 ASP 7 2HB ASP 7 3.889 -6.046 -7.940 63 HB3 ASP 7 3HB ASP 7 4.563 -6.682 -6.441 64 H VAL 8 H VAL 8 0.480 -7.778 -6.316 65 HA VAL 8 HA VAL 8 1.095 -8.995 -3.704 66 HB VAL 8 HB VAL 8 -1.414 -9.040 -3.223 67 HG11 VAL 8 1HG1 VAL 8 -0.133 -6.280 -3.324 68 HG12 VAL 8 2HG1 VAL 8 0.058 -7.468 -2.032 69 HG13 VAL 8 3HG1 VAL 8 -1.520 -6.734 -2.327 70 HG21 VAL 8 3HG2 VAL 8 -2.866 -7.359 -4.357 71 HG22 VAL 8 1HG2 VAL 8 -2.274 -8.577 -5.491 72 HG23 VAL 8 2HG2 VAL 8 -1.546 -6.970 -5.463 73 H SER 9 H SER 9 0.969 -11.118 -3.748 74 HA SER 9 HA SER 9 0.352 -12.599 -6.132 75 HB2 SER 9 2HB SER 9 2.234 -13.284 -4.719 76 HB3 SER 9 3HB SER 9 1.167 -13.492 -3.332 77 HG SER 9 HG SER 9 0.369 -15.303 -4.193 78 H ASP 10 H ASP 10 -1.128 -12.056 -2.976 79 HA ASP 10 HA ASP 10 -3.405 -13.847 -3.653 80 HB2 ASP 10 2HB ASP 10 -2.297 -13.089 -0.912 81 HB3 ASP 10 3HB ASP 10 -3.701 -14.113 -1.191 82 H ASP 11 H ASP 11 -5.465 -13.237 -2.681 83 HA ASP 11 HA ASP 11 -6.016 -10.407 -3.223 84 HB2 ASP 11 2HB ASP 11 -8.373 -11.033 -3.338 85 HB3 ASP 11 3HB ASP 11 -7.426 -12.114 -4.344 86 H GLU 12 H GLU 12 -6.221 -12.764 -0.578 87 HA GLU 12 HA GLU 12 -7.329 -11.012 1.377 88 HB2 GLU 12 2HB GLU 12 -7.176 -13.498 1.689 89 HB3 GLU 12 3HB GLU 12 -5.426 -13.353 1.836 90 HG2 GLU 12 2HG GLU 12 -5.847 -11.804 3.833 91 HG3 GLU 12 3HG GLU 12 -7.541 -12.281 3.739 92 H GLU 13 H GLU 13 -3.992 -11.799 0.422 93 HA GLU 13 HA GLU 13 -2.538 -10.144 2.169 94 HB2 GLU 13 2HB GLU 13 -1.427 -11.839 0.834 95 HB3 GLU 13 3HB GLU 13 -1.946 -11.073 -0.662 96 HG2 GLU 13 2HG GLU 13 -0.490 -9.122 -0.153 97 HG3 GLU 13 3HG GLU 13 0.048 -9.934 1.323 98 H ALA 14 H ALA 14 -3.970 -9.485 -1.000 99 HA ALA 14 HA ALA 14 -3.178 -6.842 -1.426 100 HB1 ALA 14 3HB ALA 14 -5.781 -8.216 -2.216 101 HB2 ALA 14 1HB ALA 14 -4.280 -8.228 -3.142 102 HB3 ALA 14 2HB ALA 14 -5.163 -6.721 -2.916 103 H GLU 15 H GLU 15 -6.098 -8.129 0.185 104 HA GLU 15 HA GLU 15 -7.245 -5.715 1.024 105 HB2 GLU 15 2HB GLU 15 -7.440 -8.487 2.281 106 HB3 GLU 15 3HB GLU 15 -8.445 -7.113 2.759 107 HG2 GLU 15 2HG GLU 15 -9.365 -6.992 0.483 108 HG3 GLU 15 3HG GLU 15 -8.367 -8.366 0.002 109 H LYS 16 H LYS 16 -4.771 -7.758 2.603 110 HA LYS 16 HA LYS 16 -4.715 -6.689 5.180 111 HB2 LYS 16 2HB LYS 16 -2.342 -7.667 3.530 112 HB3 LYS 16 3HB LYS 16 -2.292 -7.382 5.265 113 HG2 LYS 16 2HG LYS 16 -4.073 -9.440 3.935 114 HG3 LYS 16 3HG LYS 16 -2.465 -9.785 4.573 115 HD2 LYS 16 2HD LYS 16 -3.267 -9.063 6.840 116 HD3 LYS 16 3HD LYS 16 -4.886 -8.841 6.166 117 HE2 LYS 16 2HE LYS 16 -4.949 -11.240 5.556 118 HE3 LYS 16 3HE LYS 16 -3.336 -11.456 6.238 119 HZ1 LYS 16 3HZ LYS 16 -4.219 -10.820 8.390 120 HZ2 LYS 16 1HZ LYS 16 -5.035 -12.162 7.767 121 HZ3 LYS 16 2HZ LYS 16 -5.758 -10.633 7.727 122 H ILE 17 H ILE 17 -2.995 -5.658 2.263 123 HA ILE 17 HA ILE 17 -1.479 -3.518 3.272 124 HB ILE 17 HB ILE 17 -2.675 -3.764 0.464 125 HG12 ILE 17 2HG1 ILE 17 -1.477 -5.819 0.852 126 HG13 ILE 17 3HG1 ILE 17 -0.412 -4.820 -0.129 127 HG21 ILE 17 1HG2 ILE 17 -0.248 -2.197 1.415 128 HG22 ILE 17 2HG2 ILE 17 -1.784 -1.524 0.866 129 HG23 ILE 17 3HG2 ILE 17 -0.742 -2.383 -0.270 130 HD11 ILE 17 3HD1 ILE 17 0.814 -5.971 1.587 131 HD12 ILE 17 1HD1 ILE 17 -0.205 -5.278 2.843 132 HD13 ILE 17 2HD1 ILE 17 0.859 -4.239 1.890 133 H ILE 18 H ILE 18 -4.618 -3.525 1.608 134 HA ILE 18 HA ILE 18 -5.248 -0.822 1.668 135 HB ILE 18 HB ILE 18 -7.048 -3.294 1.635 136 HG12 ILE 18 2HG1 ILE 18 -5.908 -1.608 -0.646 137 HG13 ILE 18 3HG1 ILE 18 -5.383 -3.221 -0.199 138 HG21 ILE 18 1HG2 ILE 18 -7.806 -0.453 0.848 139 HG22 ILE 18 2HG2 ILE 18 -8.408 -1.342 2.248 140 HG23 ILE 18 3HG2 ILE 18 -8.811 -1.890 0.621 141 HD11 ILE 18 3HD1 ILE 18 -7.555 -4.111 -0.890 142 HD12 ILE 18 1HD1 ILE 18 -6.738 -3.251 -2.194 143 HD13 ILE 18 2HD1 ILE 18 -8.077 -2.484 -1.341 144 H ARG 19 H ARG 19 -5.891 -3.338 4.081 145 HA ARG 19 HA ARG 19 -7.758 -1.870 5.663 146 HB2 ARG 19 2HB ARG 19 -6.197 -4.426 6.247 147 HB3 ARG 19 3HB ARG 19 -7.421 -3.763 7.332 148 HG2 ARG 19 2HG ARG 19 -9.154 -4.067 5.631 149 HG3 ARG 19 3HG ARG 19 -7.953 -4.626 4.466 150 HD2 ARG 19 2HD ARG 19 -7.471 -6.577 5.946 151 HD3 ARG 19 3HD ARG 19 -8.734 -6.021 7.052 152 HE ARG 19 HE ARG 19 -9.485 -6.533 4.265 153 HH11 ARG 19 1HH1 ARG 19 -9.565 -7.699 7.590 154 HH12 ARG 19 2HH1 ARG 19 -10.824 -8.846 7.275 155 HH21 ARG 19 1HH2 ARG 19 -11.118 -8.060 3.884 156 HH22 ARG 19 2HH2 ARG 19 -11.701 -9.049 5.180 157 H GLU 20 H GLU 20 -4.297 -2.681 6.046 158 HA GLU 20 HA GLU 20 -3.868 -1.493 8.565 159 HB2 GLU 20 2HB GLU 20 -1.911 -2.000 6.282 160 HB3 GLU 20 3HB GLU 20 -1.419 -1.475 7.894 161 HG2 GLU 20 2HG GLU 20 -2.807 -4.090 7.207 162 HG3 GLU 20 3HG GLU 20 -1.097 -3.892 7.588 163 H ILE 21 H ILE 21 -3.433 -0.202 5.271 164 HA ILE 21 HA ILE 21 -2.273 2.278 6.031 165 HB ILE 21 HB ILE 21 -3.725 1.546 3.448 166 HG12 ILE 21 2HG1 ILE 21 -1.797 0.072 3.843 167 HG13 ILE 21 3HG1 ILE 21 -1.417 1.174 2.531 168 HG21 ILE 21 1HG2 ILE 21 -1.881 3.906 4.003 169 HG22 ILE 21 2HG2 ILE 21 -3.611 3.985 3.667 170 HG23 ILE 21 3HG2 ILE 21 -2.498 3.447 2.411 171 HD11 ILE 21 3HD1 ILE 21 0.483 0.852 3.972 172 HD12 ILE 21 1HD1 ILE 21 -0.446 1.368 5.380 173 HD13 ILE 21 2HD1 ILE 21 -0.074 2.520 4.094 174 H ARG 22 H ARG 22 -5.664 1.325 5.397 175 HA ARG 22 HA ARG 22 -6.753 3.959 5.507 176 HB2 ARG 22 2HB ARG 22 -8.047 1.227 5.820 177 HB3 ARG 22 3HB ARG 22 -8.976 2.727 5.876 178 HG2 ARG 22 2HG ARG 22 -8.193 3.287 3.590 179 HG3 ARG 22 3HG ARG 22 -7.311 1.757 3.522 180 HD2 ARG 22 2HD ARG 22 -9.424 0.521 3.730 181 HD3 ARG 22 3HD ARG 22 -10.320 2.035 3.884 182 HE ARG 22 HE ARG 22 -9.207 0.869 1.466 183 HH11 ARG 22 1HH1 ARG 22 -10.658 3.733 2.902 184 HH12 ARG 22 2HH1 ARG 22 -11.132 4.392 1.371 185 HH21 ARG 22 1HH2 ARG 22 -9.875 1.731 -0.511 186 HH22 ARG 22 2HH2 ARG 22 -10.688 3.261 -0.555 187 H GLU 23 H GLU 23 -5.910 1.697 8.049 188 HA GLU 23 HA GLU 23 -7.418 2.936 10.169 189 HB2 GLU 23 2HB GLU 23 -4.975 1.114 10.214 190 HB3 GLU 23 3HB GLU 23 -5.821 1.646 11.669 191 HG2 GLU 23 2HG GLU 23 -7.843 0.497 10.971 192 HG3 GLU 23 3HG GLU 23 -7.104 0.066 9.427 193 H GLN 24 H GLN 24 -4.051 3.118 9.093 194 HA GLN 24 HA GLN 24 -3.182 4.883 11.197 195 HB2 GLN 24 2HB GLN 24 -1.759 4.162 8.598 196 HB3 GLN 24 3HB GLN 24 -1.008 4.782 10.068 197 HG2 GLN 24 2HG GLN 24 -1.417 2.726 11.244 198 HG3 GLN 24 3HG GLN 24 -2.489 2.134 9.978 199 HE21 GLN 24 1HE2 GLN 24 -1.353 0.240 9.609 200 HE22 GLN 24 2HE2 GLN 24 0.225 0.202 8.905 201 H TRP 25 H TRP 25 -3.687 5.238 7.701 202 HA TRP 25 HA TRP 25 -4.296 8.123 8.031 203 HB2 TRP 25 2HB TRP 25 -3.214 6.827 5.489 204 HB3 TRP 25 3HB TRP 25 -3.396 8.553 5.814 205 HD1 TRP 25 HD1 TRP 25 -1.581 9.660 7.554 206 HE1 TRP 25 HE1 TRP 25 0.785 8.907 8.211 207 HE3 TRP 25 HE3 TRP 25 -1.749 4.830 5.859 208 HZ2 TRP 25 HZ2 TRP 25 2.361 6.591 8.063 209 HZ3 TRP 25 HZ3 TRP 25 0.236 3.407 6.174 210 HH2 TRP 25 HH2 TRP 25 2.249 4.273 7.254 211 HA PRO 26 HA PRO 26 -8.325 6.315 6.548 212 HB2 PRO 26 2HB PRO 26 -9.873 8.372 7.565 213 HB3 PRO 26 3HB PRO 26 -9.352 6.980 8.540 214 HG2 PRO 26 2HG PRO 26 -8.120 9.728 8.379 215 HG3 PRO 26 3HG PRO 26 -8.490 8.746 9.818 216 HD2 PRO 26 2HD PRO 26 -5.983 8.853 8.823 217 HD3 PRO 26 3HD PRO 26 -6.626 7.346 9.513 218 H LYS 27 H LYS 27 -6.842 9.460 6.218 219 HA LYS 27 HA LYS 27 -8.450 10.362 3.989 220 HB2 LYS 27 2HB LYS 27 -6.777 12.338 4.103 221 HB3 LYS 27 3HB LYS 27 -7.853 12.101 5.463 222 HG2 LYS 27 2HG LYS 27 -5.714 12.688 6.361 223 HG3 LYS 27 3HG LYS 27 -5.963 10.978 6.702 224 HD2 LYS 27 2HD LYS 27 -3.653 11.350 6.013 225 HD3 LYS 27 3HD LYS 27 -4.485 10.394 4.789 226 HE2 LYS 27 2HE LYS 27 -4.885 12.694 3.593 227 HE3 LYS 27 3HE LYS 27 -3.605 13.281 4.657 228 HZ1 LYS 27 3HZ LYS 27 -3.372 11.016 2.762 229 HZ2 LYS 27 1HZ LYS 27 -2.138 11.633 3.739 230 HZ3 LYS 27 2HZ LYS 27 -2.794 12.579 2.516 231 H ALA 28 H ALA 28 -6.945 7.873 3.461 232 HA ALA 28 HA ALA 28 -4.750 8.732 1.659 233 HB1 ALA 28 3HB ALA 28 -3.839 7.421 3.530 234 HB2 ALA 28 1HB ALA 28 -3.758 6.482 2.036 235 HB3 ALA 28 2HB ALA 28 -5.009 6.134 3.235 236 H THR 29 H THR 29 -5.521 8.469 -0.526 237 HA THR 29 HA THR 29 -7.914 6.973 -0.973 238 HB THR 29 HB THR 29 -6.028 8.130 -3.074 239 HG1 THR 29 HG1 THR 29 -6.398 9.936 -2.049 240 HG21 THR 29 3HG2 THR 29 -9.050 7.707 -3.096 241 HG22 THR 29 1HG2 THR 29 -7.868 6.710 -3.950 242 HG23 THR 29 2HG2 THR 29 -8.093 8.399 -4.407 243 H VAL 30 H VAL 30 -7.741 4.782 -0.861 244 HA VAL 30 HA VAL 30 -5.471 3.385 -2.086 245 HB VAL 30 HB VAL 30 -7.884 2.176 -0.647 246 HG11 VAL 30 1HG1 VAL 30 -6.456 0.156 -0.476 247 HG12 VAL 30 2HG1 VAL 30 -5.184 0.968 -1.389 248 HG13 VAL 30 3HG1 VAL 30 -6.728 0.605 -2.161 249 HG21 VAL 30 3HG2 VAL 30 -6.618 3.639 0.908 250 HG22 VAL 30 1HG2 VAL 30 -5.120 2.796 0.498 251 HG23 VAL 30 2HG2 VAL 30 -6.418 1.940 1.338 252 H THR 31 H THR 31 -5.674 2.156 -3.910 253 HA THR 31 HA THR 31 -8.168 2.276 -5.472 254 HB THR 31 HB THR 31 -5.360 2.816 -6.573 255 HG1 THR 31 HG1 THR 31 -7.353 4.536 -5.620 256 HG21 THR 31 3HG2 THR 31 -6.531 3.462 -8.654 257 HG22 THR 31 1HG2 THR 31 -8.085 3.056 -7.921 258 HG23 THR 31 2HG2 THR 31 -6.897 1.788 -8.236 259 H ARG 32 H ARG 32 -8.696 0.141 -5.735 260 HA ARG 32 HA ARG 32 -6.675 -1.938 -5.510 261 HB2 ARG 32 2HB ARG 32 -8.892 -2.202 -4.394 262 HB3 ARG 32 3HB ARG 32 -9.702 -2.119 -5.952 263 HG2 ARG 32 2HG ARG 32 -7.646 -4.284 -5.445 264 HG3 ARG 32 3HG ARG 32 -9.271 -4.452 -4.783 265 HD2 ARG 32 2HD ARG 32 -10.219 -4.316 -7.058 266 HD3 ARG 32 3HD ARG 32 -8.599 -4.102 -7.731 267 HE ARG 32 HE ARG 32 -8.757 -6.482 -6.182 268 HH11 ARG 32 1HH1 ARG 32 -9.686 -5.222 -9.331 269 HH12 ARG 32 2HH1 ARG 32 -9.688 -6.784 -10.073 270 HH21 ARG 32 1HH2 ARG 32 -8.813 -8.500 -7.175 271 HH22 ARG 32 2HH2 ARG 32 -9.201 -8.631 -8.861 272 H THR 33 H THR 33 -5.731 -2.839 -7.226 273 HA THR 33 HA THR 33 -7.005 -2.798 -9.881 274 HB THR 33 HB THR 33 -4.049 -2.135 -9.394 275 HG1 THR 33 HG1 THR 33 -6.234 -0.536 -9.428 276 HG21 THR 33 3HG2 THR 33 -5.649 -2.128 -11.982 277 HG22 THR 33 1HG2 THR 33 -4.422 -3.321 -11.537 278 HG23 THR 33 2HG2 THR 33 -3.963 -1.640 -11.810 279 H ASN 34 H ASN 34 -6.779 -4.842 -10.916 280 HA ASN 34 HA ASN 34 -5.703 -7.111 -9.788 281 HB2 ASN 34 2HB ASN 34 -5.937 -6.358 -12.735 282 HB3 ASN 34 3HB ASN 34 -5.589 -7.987 -12.166 283 HD21 ASN 34 1HD2 ASN 34 -7.232 -9.176 -11.153 284 HD22 ASN 34 2HD2 ASN 34 -8.897 -8.731 -11.279 285 H GLY 35 H GLY 35 -3.705 -8.099 -9.785 286 HA2 GLY 35 2HA GLY 35 -1.416 -8.334 -9.930 287 HA3 GLY 35 3HA GLY 35 -1.336 -6.930 -10.979 288 H ASP 36 H ASP 36 -2.273 -4.876 -9.500 289 HA ASP 36 HA ASP 36 -0.290 -4.690 -7.290 290 HB2 ASP 36 2HB ASP 36 -0.884 -2.520 -9.355 291 HB3 ASP 36 3HB ASP 36 0.323 -2.446 -8.074 292 H ILE 37 H ILE 37 -0.902 -3.556 -5.527 293 HA ILE 37 HA ILE 37 -3.560 -2.333 -5.364 294 HB ILE 37 HB ILE 37 -1.556 -3.116 -3.188 295 HG12 ILE 37 2HG1 ILE 37 -2.719 -5.030 -4.227 296 HG13 ILE 37 3HG1 ILE 37 -3.272 -4.817 -2.572 297 HG21 ILE 37 1HG2 ILE 37 -3.303 -2.487 -1.524 298 HG22 ILE 37 2HG2 ILE 37 -4.296 -1.827 -2.826 299 HG23 ILE 37 3HG2 ILE 37 -2.736 -1.094 -2.447 300 HD11 ILE 37 3HD1 ILE 37 -5.084 -5.371 -4.102 301 HD12 ILE 37 1HD1 ILE 37 -4.750 -3.928 -5.054 302 HD13 ILE 37 2HD1 ILE 37 -5.323 -3.778 -3.390 303 H LYS 38 H LYS 38 -3.555 -0.291 -5.917 304 HA LYS 38 HA LYS 38 -1.057 1.225 -5.997 305 HB2 LYS 38 2HB LYS 38 -2.872 0.820 -7.938 306 HB3 LYS 38 3HB LYS 38 -3.650 2.217 -7.201 307 HG2 LYS 38 2HG LYS 38 -1.671 3.577 -7.589 308 HG3 LYS 38 3HG LYS 38 -0.776 2.168 -8.159 309 HD2 LYS 38 2HD LYS 38 -1.464 3.477 -10.070 310 HD3 LYS 38 3HD LYS 38 -2.366 1.958 -10.073 311 HE2 LYS 38 2HE LYS 38 -3.816 3.871 -10.644 312 HE3 LYS 38 3HE LYS 38 -4.333 3.117 -9.136 313 HZ1 LYS 38 3HZ LYS 38 -4.298 5.561 -9.063 314 HZ2 LYS 38 1HZ LYS 38 -2.622 5.536 -9.289 315 HZ3 LYS 38 2HZ LYS 38 -3.296 4.859 -7.900 316 H LEU 39 H LEU 39 -0.686 2.888 -4.651 317 HA LEU 39 HA LEU 39 -2.708 3.519 -2.574 318 HB2 LEU 39 2HB LEU 39 -0.546 1.962 -2.163 319 HB3 LEU 39 3HB LEU 39 0.282 3.499 -2.044 320 HG LEU 39 HG LEU 39 -1.961 2.510 -0.233 321 HD11 LEU 39 1HD1 LEU 39 0.145 1.361 0.178 322 HD12 LEU 39 2HD1 LEU 39 -0.242 2.437 1.517 323 HD13 LEU 39 3HD1 LEU 39 0.988 2.906 0.341 324 HD21 LEU 39 3HD2 LEU 39 -2.156 4.924 -0.450 325 HD22 LEU 39 1HD2 LEU 39 -0.444 5.127 -0.064 326 HD23 LEU 39 2HD2 LEU 39 -1.561 4.502 1.153 327 H ASP 40 H ASP 40 -2.903 5.685 -2.049 328 HA ASP 40 HA ASP 40 -1.263 7.654 -3.549 329 HB2 ASP 40 2HB ASP 40 -3.527 7.840 -4.318 330 HB3 ASP 40 3HB ASP 40 -4.179 7.719 -2.693 331 H ALA 41 H ALA 41 0.280 8.129 -2.138 332 HA ALA 41 HA ALA 41 -0.282 9.154 0.549 333 HB1 ALA 41 3HB ALA 41 2.148 9.651 0.611 334 HB2 ALA 41 1HB ALA 41 2.296 9.150 -1.077 335 HB3 ALA 41 2HB ALA 41 1.849 7.973 0.158 336 H GLN 42 H GLN 42 -0.895 11.241 0.852 337 HA GLN 42 HA GLN 42 -1.096 13.173 -1.219 338 HB2 GLN 42 2HB GLN 42 -2.561 13.216 0.765 339 HB3 GLN 42 3HB GLN 42 -1.183 13.525 1.809 340 HG2 GLN 42 2HG GLN 42 -2.550 15.552 1.404 341 HG3 GLN 42 3HG GLN 42 -0.885 15.746 0.855 342 HE21 GLN 42 1HE2 GLN 42 -4.200 15.243 -0.196 343 HE22 GLN 42 2HE2 GLN 42 -3.974 15.797 -1.816 344 H THR 43 H THR 43 1.207 12.688 1.438 345 HA THR 43 HA THR 43 3.051 14.691 0.249 346 HB THR 43 HB THR 43 4.044 14.916 2.539 347 HG1 THR 43 HG1 THR 43 2.390 14.026 4.211 348 HG21 THR 43 3HG2 THR 43 2.296 16.528 1.862 349 HG22 THR 43 1HG2 THR 43 2.188 16.183 3.590 350 HG23 THR 43 2HG2 THR 43 1.043 15.442 2.471 351 H GLU 44 H GLU 44 5.289 14.238 0.377 352 HA GLU 44 HA GLU 44 5.966 11.637 -0.548 353 HB2 GLU 44 2HB GLU 44 6.979 13.832 -1.317 354 HB3 GLU 44 3HB GLU 44 7.857 13.908 0.209 355 HG2 GLU 44 2HG GLU 44 9.046 11.834 -0.356 356 HG3 GLU 44 3HG GLU 44 8.124 11.694 -1.851 357 H LYS 45 H LYS 45 6.292 13.281 2.539 358 HA LYS 45 HA LYS 45 8.068 11.459 3.830 359 HB2 LYS 45 2HB LYS 45 7.710 13.755 4.655 360 HB3 LYS 45 3HB LYS 45 6.022 13.393 4.996 361 HG2 LYS 45 2HG LYS 45 6.700 11.770 6.729 362 HG3 LYS 45 3HG LYS 45 8.402 12.079 6.369 363 HD2 LYS 45 2HD LYS 45 6.415 14.112 7.461 364 HD3 LYS 45 3HD LYS 45 7.646 13.262 8.399 365 HE2 LYS 45 2HE LYS 45 8.148 15.256 6.156 366 HE3 LYS 45 3HE LYS 45 8.419 15.520 7.878 367 HZ1 LYS 45 3HZ LYS 45 10.114 13.796 7.841 368 HZ2 LYS 45 1HZ LYS 45 10.471 15.012 6.720 369 HZ3 LYS 45 2HZ LYS 45 9.848 13.537 6.191 370 H GLU 46 H GLU 46 4.615 11.438 3.230 371 HA GLU 46 HA GLU 46 3.865 9.711 5.424 372 HB2 GLU 46 2HB GLU 46 2.347 11.451 4.570 373 HB3 GLU 46 3HB GLU 46 2.392 10.742 2.960 374 HG2 GLU 46 2HG GLU 46 1.222 8.742 3.804 375 HG3 GLU 46 3HG GLU 46 1.192 9.443 5.427 376 H ALA 47 H ALA 47 4.519 9.516 1.975 377 HA ALA 47 HA ALA 47 3.762 6.947 1.282 378 HB1 ALA 47 3HB ALA 47 5.453 7.099 -0.517 379 HB2 ALA 47 1HB ALA 47 6.206 8.471 0.304 380 HB3 ALA 47 2HB ALA 47 4.570 8.620 -0.344 381 H GLU 48 H GLU 48 6.649 8.017 2.990 382 HA GLU 48 HA GLU 48 8.271 5.724 2.655 383 HB2 GLU 48 2HB GLU 48 8.384 7.757 4.932 384 HB3 GLU 48 3HB GLU 48 9.694 6.701 4.394 385 HG2 GLU 48 2HG GLU 48 9.668 7.885 2.188 386 HG3 GLU 48 3HG GLU 48 8.448 8.989 2.831 387 H LYS 49 H LYS 49 5.869 6.609 5.077 388 HA LYS 49 HA LYS 49 6.394 4.306 6.800 389 HB2 LYS 49 2HB LYS 49 4.089 6.294 6.924 390 HB3 LYS 49 3HB LYS 49 4.640 5.222 8.215 391 HG2 LYS 49 2HG LYS 49 6.774 6.484 8.314 392 HG3 LYS 49 3HG LYS 49 6.178 7.568 7.048 393 HD2 LYS 49 2HD LYS 49 4.304 8.255 8.550 394 HD3 LYS 49 3HD LYS 49 4.937 7.187 9.809 395 HE2 LYS 49 2HE LYS 49 6.285 9.659 8.664 396 HE3 LYS 49 3HE LYS 49 5.635 9.456 10.295 397 HZ1 LYS 49 3HZ LYS 49 7.968 9.183 10.411 398 HZ2 LYS 49 1HZ LYS 49 7.992 8.094 9.116 399 HZ3 LYS 49 2HZ LYS 49 7.297 7.643 10.592 400 H MET 50 H MET 50 4.052 5.387 4.489 401 HA MET 50 HA MET 50 2.059 3.445 4.593 402 HB2 MET 50 2HB MET 50 3.085 5.055 2.244 403 HB3 MET 50 3HB MET 50 1.788 3.888 2.024 404 HG2 MET 50 2HG MET 50 0.429 5.067 3.682 405 HG3 MET 50 3HG MET 50 1.722 6.249 3.908 406 HE1 MET 50 3HE MET 50 -1.573 6.381 2.756 407 HE2 MET 50 1HE MET 50 -1.349 7.888 1.869 408 HE3 MET 50 2HE MET 50 -0.656 7.708 3.481 409 H GLU 51 H GLU 51 4.764 3.343 2.247 410 HA GLU 51 HA GLU 51 4.420 0.661 1.488 411 HB2 GLU 51 2HB GLU 51 6.653 0.845 0.464 412 HB3 GLU 51 3HB GLU 51 5.661 2.251 0.115 413 HG2 GLU 51 2HG GLU 51 6.861 3.530 1.839 414 HG3 GLU 51 3HG GLU 51 7.858 2.123 2.209 415 H LYS 52 H LYS 52 6.023 2.013 4.291 416 HA LYS 52 HA LYS 52 7.646 -0.249 4.971 417 HB2 LYS 52 2HB LYS 52 7.772 2.295 5.719 418 HB3 LYS 52 3HB LYS 52 6.653 1.816 6.983 419 HG2 LYS 52 2HG LYS 52 9.343 0.493 6.543 420 HG3 LYS 52 3HG LYS 52 9.128 1.906 7.577 421 HD2 LYS 52 2HD LYS 52 7.552 0.592 8.999 422 HD3 LYS 52 3HD LYS 52 7.827 -0.821 7.974 423 HE2 LYS 52 2HE LYS 52 9.180 -0.926 10.025 424 HE3 LYS 52 3HE LYS 52 10.206 -0.825 8.594 425 HZ1 LYS 52 3HZ LYS 52 10.517 1.529 9.026 426 HZ2 LYS 52 1HZ LYS 52 10.989 0.616 10.368 427 HZ3 LYS 52 2HZ LYS 52 9.516 1.446 10.381 428 H ALA 53 H ALA 53 4.413 0.893 5.866 429 HA ALA 53 HA ALA 53 3.681 -1.119 7.714 430 HB1 ALA 53 3HB ALA 53 1.362 -0.353 7.346 431 HB2 ALA 53 1HB ALA 53 1.885 0.557 5.924 432 HB3 ALA 53 2HB ALA 53 2.460 1.017 7.527 433 H VAL 54 H VAL 54 3.446 -0.879 4.200 434 HA VAL 54 HA VAL 54 2.188 -3.305 3.589 435 HB VAL 54 HB VAL 54 4.344 -1.768 2.068 436 HG11 VAL 54 1HG1 VAL 54 3.659 -2.992 0.046 437 HG12 VAL 54 2HG1 VAL 54 2.538 -3.962 0.999 438 HG13 VAL 54 3HG1 VAL 54 4.273 -4.101 1.272 439 HG21 VAL 54 3HG2 VAL 54 2.293 -0.459 2.453 440 HG22 VAL 54 1HG2 VAL 54 1.318 -1.751 1.749 441 HG23 VAL 54 2HG2 VAL 54 2.460 -0.857 0.743 442 H LYS 55 H LYS 55 5.666 -2.550 3.939 443 HA LYS 55 HA LYS 55 6.679 -5.131 3.496 444 HB2 LYS 55 2HB LYS 55 7.909 -2.805 5.026 445 HB3 LYS 55 3HB LYS 55 8.777 -4.290 4.637 446 HG2 LYS 55 2HG LYS 55 8.469 -3.836 2.241 447 HG3 LYS 55 3HG LYS 55 7.561 -2.372 2.627 448 HD2 LYS 55 2HD LYS 55 9.790 -1.717 2.072 449 HD3 LYS 55 3HD LYS 55 9.602 -1.482 3.801 450 HE2 LYS 55 2HE LYS 55 11.783 -2.473 3.314 451 HE3 LYS 55 3HE LYS 55 10.793 -3.622 4.207 452 HZ1 LYS 55 3HZ LYS 55 11.901 -4.758 2.446 453 HZ2 LYS 55 1HZ LYS 55 11.362 -3.645 1.294 454 HZ3 LYS 55 2HZ LYS 55 10.263 -4.681 2.047 455 H LYS 56 H LYS 56 5.281 -3.759 6.389 456 HA LYS 56 HA LYS 56 6.115 -5.673 8.299 457 HB2 LYS 56 2HB LYS 56 3.560 -4.025 8.114 458 HB3 LYS 56 3HB LYS 56 3.957 -5.030 9.506 459 HG2 LYS 56 2HG LYS 56 5.623 -2.697 8.501 460 HG3 LYS 56 3HG LYS 56 4.482 -2.631 9.852 461 HD2 LYS 56 2HD LYS 56 5.852 -4.398 11.021 462 HD3 LYS 56 3HD LYS 56 7.024 -4.316 9.700 463 HE2 LYS 56 2HE LYS 56 7.751 -2.981 11.649 464 HE3 LYS 56 3HE LYS 56 7.481 -1.962 10.235 465 HZ1 LYS 56 3HZ LYS 56 5.513 -2.342 12.425 466 HZ2 LYS 56 1HZ LYS 56 5.386 -1.271 11.122 467 HZ3 LYS 56 2HZ LYS 56 6.572 -1.030 12.303 468 H VAL 57 H VAL 57 3.347 -5.578 6.091 469 HA VAL 57 HA VAL 57 2.227 -8.122 6.833 470 HB VAL 57 HB VAL 57 1.828 -6.501 4.268 471 HG11 VAL 57 1HG1 VAL 57 -0.275 -7.749 3.980 472 HG12 VAL 57 2HG1 VAL 57 0.053 -8.684 5.438 473 HG13 VAL 57 3HG1 VAL 57 1.096 -8.856 4.027 474 HG21 VAL 57 3HG2 VAL 57 0.178 -6.442 6.831 475 HG22 VAL 57 1HG2 VAL 57 -0.218 -5.591 5.333 476 HG23 VAL 57 2HG2 VAL 57 1.230 -5.153 6.240 477 H LYS 58 H LYS 58 4.651 -7.047 4.539 478 HA LYS 58 HA LYS 58 5.244 -9.637 3.514 479 HB2 LYS 58 2HB LYS 58 4.663 -9.108 1.102 480 HB3 LYS 58 3HB LYS 58 3.291 -9.413 2.157 481 HG2 LYS 58 2HG LYS 58 2.904 -6.949 2.315 482 HG3 LYS 58 3HG LYS 58 4.235 -6.688 1.188 483 HD2 LYS 58 2HD LYS 58 1.776 -8.341 0.501 484 HD3 LYS 58 3HD LYS 58 1.880 -6.610 0.202 485 HE2 LYS 58 2HE LYS 58 2.360 -7.856 -1.838 486 HE3 LYS 58 3HE LYS 58 3.796 -6.991 -1.311 487 HZ1 LYS 58 3HZ LYS 58 3.299 -9.866 -0.807 488 HZ2 LYS 58 1HZ LYS 58 4.728 -9.022 -0.488 489 HZ3 LYS 58 2HZ LYS 58 4.225 -9.270 -2.084 490 HA PRO 59 HA PRO 59 8.808 -6.752 3.776 491 HB2 PRO 59 2HB PRO 59 10.784 -8.722 3.729 492 HB3 PRO 59 3HB PRO 59 9.893 -8.243 5.191 493 HG2 PRO 59 2HG PRO 59 9.379 -10.566 3.342 494 HG3 PRO 59 3HG PRO 59 9.389 -10.528 5.123 495 HD2 PRO 59 2HD PRO 59 7.069 -10.484 3.763 496 HD3 PRO 59 3HD PRO 59 7.264 -9.523 5.247 497 H ASN 60 H ASN 60 8.431 -9.307 1.345 498 HA ASN 60 HA ASN 60 10.554 -8.254 -0.399 499 HB2 ASN 60 2HB ASN 60 8.735 -10.690 -0.723 500 HB3 ASN 60 3HB ASN 60 10.118 -10.305 -1.742 501 HD21 ASN 60 1HD2 ASN 60 12.185 -10.739 -0.972 502 HD22 ASN 60 2HD2 ASN 60 12.483 -11.639 0.469 503 H ALA 61 H ALA 61 7.734 -7.022 0.123 504 HA ALA 61 HA ALA 61 6.069 -7.134 -2.084 505 HB1 ALA 61 3HB ALA 61 5.482 -6.039 0.044 506 HB2 ALA 61 1HB ALA 61 5.195 -4.959 -1.324 507 HB3 ALA 61 2HB ALA 61 6.619 -4.734 -0.301 508 H THR 62 H THR 62 6.632 -6.787 -4.196 509 HA THR 62 HA THR 62 8.675 -4.972 -5.061 510 HB THR 62 HB THR 62 6.401 -6.209 -6.713 511 HG1 THR 62 HG1 THR 62 7.954 -7.659 -5.532 512 HG21 THR 62 3HG2 THR 62 7.934 -5.866 -8.642 513 HG22 THR 62 1HG2 THR 62 9.086 -5.050 -7.581 514 HG23 THR 62 2HG2 THR 62 7.505 -4.329 -7.891 515 H ILE 63 H ILE 63 8.354 -2.872 -4.489 516 HA ILE 63 HA ILE 63 5.709 -1.602 -4.854 517 HB ILE 63 HB ILE 63 8.074 -0.787 -3.086 518 HG12 ILE 63 2HG1 ILE 63 5.331 -1.864 -2.253 519 HG13 ILE 63 3HG1 ILE 63 6.775 -2.861 -2.369 520 HG21 ILE 63 1HG2 ILE 63 6.576 0.940 -2.134 521 HG22 ILE 63 2HG2 ILE 63 5.314 0.496 -3.286 522 HG23 ILE 63 3HG2 ILE 63 6.828 1.202 -3.862 523 HD11 ILE 63 3HD1 ILE 63 6.353 -2.314 -0.086 524 HD12 ILE 63 1HD1 ILE 63 6.288 -0.595 -0.458 525 HD13 ILE 63 2HD1 ILE 63 7.814 -1.470 -0.596 526 H ARG 64 H ARG 64 5.518 -0.115 -6.401 527 HA ARG 64 HA ARG 64 7.894 0.779 -7.915 528 HB2 ARG 64 2HB ARG 64 4.961 0.923 -8.759 529 HB3 ARG 64 3HB ARG 64 6.357 1.305 -9.765 530 HG2 ARG 64 2HG ARG 64 5.568 -1.432 -8.713 531 HG3 ARG 64 3HG ARG 64 5.425 -0.860 -10.378 532 HD2 ARG 64 2HD ARG 64 8.001 -1.355 -8.837 533 HD3 ARG 64 3HD ARG 64 7.365 -2.332 -10.161 534 HE ARG 64 HE ARG 64 8.722 0.233 -10.347 535 HH11 ARG 64 1HH1 ARG 64 6.887 -2.208 -12.096 536 HH12 ARG 64 2HH1 ARG 64 7.408 -1.649 -13.646 537 HH21 ARG 64 1HH2 ARG 64 9.371 0.952 -12.384 538 HH22 ARG 64 2HH2 ARG 64 8.816 0.143 -13.811 539 H LYS 65 H LYS 65 8.604 2.643 -7.048 540 HA LYS 65 HA LYS 65 6.845 4.593 -5.815 541 HB2 LYS 65 2HB LYS 65 9.827 4.603 -6.437 542 HB3 LYS 65 3HB LYS 65 9.001 5.897 -5.571 543 HG2 LYS 65 2HG LYS 65 8.582 4.508 -3.685 544 HG3 LYS 65 3HG LYS 65 8.997 3.037 -4.577 545 HD2 LYS 65 2HD LYS 65 11.316 3.576 -4.599 546 HD3 LYS 65 3HD LYS 65 11.024 5.248 -4.122 547 HE2 LYS 65 2HE LYS 65 10.543 2.840 -2.341 548 HE3 LYS 65 3HE LYS 65 11.975 3.872 -2.287 549 HZ1 LYS 65 3HZ LYS 65 10.403 4.542 -0.634 550 HZ2 LYS 65 1HZ LYS 65 9.183 4.717 -1.789 551 HZ3 LYS 65 2HZ LYS 65 10.522 5.751 -1.811 552 H THR 66 H THR 66 5.539 5.424 -7.428 553 HA THR 66 HA THR 66 6.893 7.311 -9.237 554 HB THR 66 HB THR 66 6.087 5.375 -10.574 555 HG1 THR 66 HG1 THR 66 5.788 6.895 -11.986 556 HG21 THR 66 3HG2 THR 66 4.200 4.620 -9.166 557 HG22 THR 66 1HG2 THR 66 3.691 4.881 -10.835 558 HG23 THR 66 2HG2 THR 66 3.295 6.073 -9.595 559 H GLY 67 H GLY 67 4.619 8.636 -10.057 560 HA2 GLY 67 2HA GLY 67 2.570 9.357 -8.467 561 HA3 GLY 67 3HA GLY 67 3.934 10.168 -7.683 562 H GLY 68 H GLY 68 2.872 9.495 -10.989 563 HA2 GLY 68 2HA GLY 68 4.141 11.749 -12.163 564 HA3 GLY 68 3HA GLY 68 2.982 10.677 -12.932 565 H SER 69 H SER 69 3.294 13.450 -10.794 566 HA SER 69 HA SER 69 0.595 14.297 -10.816 567 HB2 SER 69 2HB SER 69 1.641 16.470 -9.958 568 HB3 SER 69 3HB SER 69 2.065 15.032 -9.031 569 HG SER 69 HG SER 69 4.008 15.788 -9.355 570 H LEU 70 H LEU 70 3.516 15.336 -12.616 571 HA LEU 70 HA LEU 70 3.884 16.161 -14.712 572 HB2 LEU 70 2HB LEU 70 1.275 14.721 -15.315 573 HB3 LEU 70 3HB LEU 70 2.465 15.210 -16.513 574 HG LEU 70 HG LEU 70 2.925 13.132 -14.331 575 HD11 LEU 70 1HD1 LEU 70 2.884 11.463 -16.129 576 HD12 LEU 70 2HD1 LEU 70 2.456 12.722 -17.292 577 HD13 LEU 70 3HD1 LEU 70 1.345 12.310 -15.983 578 HD21 LEU 70 3HD2 LEU 70 5.022 12.606 -15.513 579 HD22 LEU 70 1HD2 LEU 70 5.015 14.261 -14.908 580 HD23 LEU 70 2HD2 LEU 70 4.742 13.950 -16.625 581 H GLU 71 H GLU 71 2.708 17.972 -12.998 582 HA GLU 71 HA GLU 71 0.246 19.090 -13.937 583 HB2 GLU 71 2HB GLU 71 2.221 20.105 -11.845 584 HB3 GLU 71 3HB GLU 71 0.587 20.731 -12.088 585 HG2 GLU 71 2HG GLU 71 -0.389 18.618 -11.421 586 HG3 GLU 71 3HG GLU 71 1.190 17.845 -11.373 587 H HIS 72 H HIS 72 0.772 19.589 -16.095 588 HA HIS 72 HA HIS 72 2.285 22.067 -16.570 589 HB2 HIS 72 2HB HIS 72 0.832 20.117 -18.425 590 HB3 HIS 72 3HB HIS 72 1.457 21.667 -18.975 591 HD1 HIS 72 HD1 HIS 72 3.887 21.775 -19.591 592 HD2 HIS 72 HD2 HIS 72 2.937 18.277 -17.558 593 HE1 HIS 72 HE1 HIS 72 5.939 20.336 -19.735 594 HE2 HIS 72 HE2 HIS 72 5.357 18.247 -18.453 595 H HIS 73 H HIS 73 1.279 24.008 -16.765 596 HA HIS 73 HA HIS 73 -0.182 25.654 -16.287 597 HB2 HIS 73 2HB HIS 73 -2.357 23.729 -17.235 598 HB3 HIS 73 3HB HIS 73 -2.602 25.439 -16.907 599 HD1 HIS 73 HD1 HIS 73 -2.009 23.195 -19.609 600 HD2 HIS 73 HD2 HIS 73 -0.851 27.089 -18.734 601 HE1 HIS 73 HE1 HIS 73 -1.391 24.230 -21.811 602 HE2 HIS 73 HE2 HIS 73 -0.931 26.649 -21.275 603 H HIS 74 H HIS 74 0.419 25.468 -14.096 604 HA HIS 74 HA HIS 74 -1.415 24.053 -12.256 605 HB2 HIS 74 2HB HIS 74 0.311 24.538 -10.513 606 HB3 HIS 74 3HB HIS 74 0.960 23.617 -11.860 607 HD1 HIS 74 HD1 HIS 74 2.894 24.633 -13.134 608 HD2 HIS 74 HD2 HIS 74 1.247 27.275 -10.392 609 HE1 HIS 74 HE1 HIS 74 4.471 26.581 -13.049 610 HE2 HIS 74 HE2 HIS 74 3.364 28.233 -11.509 611 H HIS 75 H HIS 75 -1.398 25.558 -10.000 612 HA HIS 75 HA HIS 75 -3.232 27.666 -10.609 613 HB2 HIS 75 2HB HIS 75 -1.978 26.792 -7.981 614 HB3 HIS 75 3HB HIS 75 -3.124 28.125 -8.095 615 HD1 HIS 75 HD1 HIS 75 -4.653 26.689 -6.494 616 HD2 HIS 75 HD2 HIS 75 -4.051 25.039 -10.262 617 HE1 HIS 75 HE1 HIS 75 -6.422 24.931 -6.754 618 HE2 HIS 75 HE2 HIS 75 -6.018 23.922 -9.023 619 H HIS 76 H HIS 76 -2.353 29.243 -11.762 620 HA HIS 76 HA HIS 76 -0.554 31.153 -10.512 621 HB2 HIS 76 2HB HIS 76 1.036 29.604 -11.636 622 HB3 HIS 76 3HB HIS 76 0.166 29.780 -13.158 623 HD1 HIS 76 HD1 HIS 76 2.480 31.635 -10.840 624 HD2 HIS 76 HD2 HIS 76 0.834 32.085 -14.628 625 HE1 HIS 76 HE1 HIS 76 3.717 33.550 -11.892 626 HE2 HIS 76 HE2 HIS 76 2.796 33.709 -14.229 627 H HIS 77 H HIS 77 -1.248 33.166 -11.053 628 HA HIS 77 HA HIS 77 -3.135 33.507 -13.283 629 HB2 HIS 77 2HB HIS 77 -3.700 35.680 -12.299 630 HB3 HIS 77 3HB HIS 77 -3.836 34.416 -11.095 631 HD1 HIS 77 HD1 HIS 77 -2.172 34.483 -9.105 632 HD2 HIS 77 HD2 HIS 77 -1.787 37.670 -11.741 633 HE1 HIS 77 HE1 HIS 77 -0.813 36.209 -7.887 634 HE2 HIS 77 HE2 HIS 77 -0.746 38.196 -9.443
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