NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28414 | 2yum | 10193 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 3.739 -18.506 10.467 2 HA2 GLY 1 1HA GLY 1 5.979 -18.016 10.346 3 HA3 GLY 1 2HA GLY 1 5.607 -17.393 8.745 4 H SER 2 H SER 2 5.537 -15.218 8.402 5 HA SER 2 HA SER 2 7.045 -13.473 9.781 6 HB2 SER 2 1HB SER 2 5.708 -13.123 7.590 7 HB3 SER 2 2HB SER 2 4.436 -12.497 8.640 8 HG SER 2 HG SER 2 6.964 -11.445 8.071 9 H SER 3 H SER 3 3.514 -13.700 10.247 10 HA SER 3 HA SER 3 2.171 -13.040 11.968 11 HB2 SER 3 1HB SER 3 3.680 -14.988 12.901 12 HB3 SER 3 2HB SER 3 4.357 -13.705 13.904 13 HG SER 3 HG SER 3 2.594 -13.693 15.049 14 H GLY 4 H GLY 4 3.559 -10.920 10.825 15 HA2 GLY 4 1HA GLY 4 3.718 -8.655 11.297 16 HA3 GLY 4 2HA GLY 4 3.456 -9.023 12.995 17 H SER 5 H SER 5 5.337 -7.146 12.014 18 HA SER 5 HA SER 5 7.739 -8.242 13.230 19 HB2 SER 5 1HB SER 5 7.719 -8.497 10.604 20 HB3 SER 5 2HB SER 5 8.134 -6.784 10.646 21 HG SER 5 HG SER 5 9.954 -8.272 10.652 22 H SER 6 H SER 6 9.477 -6.416 13.292 23 HA SER 6 HA SER 6 8.153 -4.100 14.442 24 HB2 SER 6 1HB SER 6 10.964 -5.164 14.498 25 HB3 SER 6 2HB SER 6 10.624 -3.510 15.007 26 HG SER 6 HG SER 6 8.861 -4.790 16.283 27 H GLY 7 H GLY 7 9.513 -1.959 14.096 28 HA2 GLY 7 1HA GLY 7 10.795 -1.432 11.678 29 HA3 GLY 7 2HA GLY 7 9.076 -1.183 11.411 30 H ASN 8 H ASN 8 11.601 0.586 11.675 31 HA ASN 8 HA ASN 8 11.171 2.257 13.925 32 HB2 ASN 8 1HB ASN 8 13.334 2.238 12.860 33 HB3 ASN 8 2HB ASN 8 12.634 2.740 11.323 34 HD21 ASN 8 1HD2 ASN 8 14.737 4.005 12.832 35 HD22 ASN 8 2HD2 ASN 8 14.192 5.602 13.200 36 H GLN 9 H GLN 9 10.399 2.690 10.473 37 HA GLN 9 HA GLN 9 8.215 4.484 11.280 38 HB2 GLN 9 1HB GLN 9 8.698 5.909 9.320 39 HB3 GLN 9 2HB GLN 9 10.016 5.899 10.485 40 HG2 GLN 9 1HG GLN 9 11.036 4.065 9.008 41 HG3 GLN 9 2HG GLN 9 9.881 4.606 7.791 42 HE21 GLN 9 1HE2 GLN 9 12.434 4.783 7.123 43 HE22 GLN 9 2HE2 GLN 9 12.993 6.417 7.167 44 H LEU 10 H LEU 10 7.943 1.760 10.739 45 HA LEU 10 HA LEU 10 6.862 1.614 8.023 46 HB2 LEU 10 1HB LEU 10 7.689 -0.379 10.072 47 HB3 LEU 10 2HB LEU 10 6.461 -0.847 8.897 48 HG LEU 10 HG LEU 10 9.031 0.314 7.922 49 HD11 LEU 10 1HD1 LEU 10 9.932 -2.023 7.835 50 HD12 LEU 10 2HD1 LEU 10 8.645 -2.489 8.946 51 HD13 LEU 10 3HD1 LEU 10 9.857 -1.310 9.447 52 HD21 LEU 10 3HD2 LEU 10 8.578 -1.237 6.059 53 HD22 LEU 10 1HD2 LEU 10 7.262 -0.093 6.325 54 HD23 LEU 10 2HD2 LEU 10 7.105 -1.760 6.879 55 H TRP 11 H TRP 11 4.731 0.718 7.667 56 HA TRP 11 HA TRP 11 2.697 2.005 8.985 57 HB2 TRP 11 1HB TRP 11 2.786 -0.468 7.299 58 HB3 TRP 11 2HB TRP 11 1.276 -0.019 8.087 59 HD1 TRP 11 HD TRP 11 3.863 2.217 6.238 60 HE1 TRP 11 1HE TRP 11 2.600 3.556 4.439 61 HE3 TRP 11 3HE TRP 11 -0.812 0.254 6.897 62 HZ2 TRP 11 2HZ TRP 11 -0.029 3.754 3.432 63 HZ3 TRP 11 3HZ TRP 11 -2.646 1.073 5.476 64 HH2 TRP 11 HH TRP 11 -2.261 2.787 3.780 65 H THR 12 H THR 12 0.808 0.814 10.114 66 HA THR 12 HA THR 12 1.925 -0.905 12.234 67 HB THR 12 HB THR 12 1.414 1.268 13.169 68 HG1 THR 12 1HG THR 12 0.870 -0.139 14.701 69 HG21 THR 12 3HG2 THR 12 -0.292 1.831 11.372 70 HG22 THR 12 1HG2 THR 12 -0.690 2.339 13.013 71 HG23 THR 12 2HG2 THR 12 -1.453 0.906 12.324 72 H VAL 13 H VAL 13 0.743 -2.661 12.897 73 HA VAL 13 HA VAL 13 -0.709 -4.178 11.258 74 HB VAL 13 HB VAL 13 -0.104 -4.912 13.509 75 HG11 VAL 13 1HG1 VAL 13 -1.406 -4.281 15.453 76 HG12 VAL 13 2HG1 VAL 13 -0.722 -2.843 14.694 77 HG13 VAL 13 3HG1 VAL 13 -2.426 -3.238 14.461 78 HG21 VAL 13 3HG2 VAL 13 -3.048 -5.164 12.902 79 HG22 VAL 13 1HG2 VAL 13 -1.757 -6.210 12.312 80 HG23 VAL 13 2HG2 VAL 13 -2.156 -6.184 14.030 81 H GLU 14 H GLU 14 -2.124 -1.653 13.319 82 HA GLU 14 HA GLU 14 -4.795 -2.000 12.763 83 HB2 GLU 14 1HB GLU 14 -3.334 0.630 13.069 84 HB3 GLU 14 2HB GLU 14 -5.069 0.403 13.229 85 HG2 GLU 14 1HG GLU 14 -4.733 -1.023 15.159 86 HG3 GLU 14 2HG GLU 14 -2.985 -0.880 14.980 87 H GLU 15 H GLU 15 -2.536 0.102 10.975 88 HA GLU 15 HA GLU 15 -4.419 0.705 8.925 89 HB2 GLU 15 1HB GLU 15 -1.413 1.006 9.012 90 HB3 GLU 15 2HB GLU 15 -2.436 1.637 7.729 91 HG2 GLU 15 1HG GLU 15 -3.558 3.098 9.284 92 HG3 GLU 15 2HG GLU 15 -2.653 2.408 10.629 93 H GLN 16 H GLN 16 -1.523 -1.369 8.996 94 HA GLN 16 HA GLN 16 -1.372 -2.365 6.518 95 HB2 GLN 16 1HB GLN 16 -1.193 -3.821 9.143 96 HB3 GLN 16 2HB GLN 16 -0.901 -4.650 7.620 97 HG2 GLN 16 1HG GLN 16 0.934 -3.190 7.112 98 HG3 GLN 16 2HG GLN 16 0.590 -2.201 8.530 99 HE21 GLN 16 1HE2 GLN 16 2.902 -2.696 8.910 100 HE22 GLN 16 2HE2 GLN 16 3.286 -4.135 9.785 101 H LYS 17 H LYS 17 -3.516 -3.853 8.953 102 HA LYS 17 HA LYS 17 -4.840 -5.567 7.181 103 HB2 LYS 17 1HB LYS 17 -6.521 -5.812 8.922 104 HB3 LYS 17 2HB LYS 17 -4.912 -5.807 9.632 105 HG2 LYS 17 1HG LYS 17 -5.198 -3.495 10.316 106 HG3 LYS 17 2HG LYS 17 -6.790 -3.453 9.556 107 HD2 LYS 17 1HD LYS 17 -7.273 -3.836 11.803 108 HD3 LYS 17 2HD LYS 17 -7.334 -5.450 11.093 109 HE2 LYS 17 1HE LYS 17 -4.837 -5.573 11.770 110 HE3 LYS 17 2HE LYS 17 -5.230 -4.227 12.839 111 HZ1 LYS 17 3HZ LYS 17 -6.053 -5.668 14.282 112 HZ2 LYS 17 1HZ LYS 17 -5.691 -6.958 13.248 113 HZ3 LYS 17 2HZ LYS 17 -7.196 -6.192 13.150 114 H LYS 18 H LYS 18 -5.596 -2.270 8.212 115 HA LYS 18 HA LYS 18 -8.109 -1.998 7.055 116 HB2 LYS 18 1HB LYS 18 -6.685 -0.369 8.540 117 HB3 LYS 18 2HB LYS 18 -6.159 0.275 6.990 118 HG2 LYS 18 1HG LYS 18 -8.238 1.100 6.470 119 HG3 LYS 18 2HG LYS 18 -9.074 -0.050 7.517 120 HD2 LYS 18 1HD LYS 18 -8.556 1.157 9.451 121 HD3 LYS 18 2HD LYS 18 -7.264 2.057 8.653 122 HE2 LYS 18 1HE LYS 18 -9.068 3.566 8.900 123 HE3 LYS 18 2HE LYS 18 -9.052 3.093 7.202 124 HZ1 LYS 18 3HZ LYS 18 -11.038 2.109 7.381 125 HZ2 LYS 18 1HZ LYS 18 -11.221 3.034 8.786 126 HZ3 LYS 18 2HZ LYS 18 -10.698 1.429 8.892 127 H LEU 19 H LEU 19 -4.999 -0.953 5.647 128 HA LEU 19 HA LEU 19 -5.884 -0.206 3.155 129 HB2 LEU 19 1HB LEU 19 -3.636 0.219 3.754 130 HB3 LEU 19 2HB LEU 19 -3.308 -1.492 4.015 131 HG LEU 19 HG LEU 19 -3.509 -1.872 1.584 132 HD11 LEU 19 1HD1 LEU 19 -4.948 -0.174 0.839 133 HD12 LEU 19 2HD1 LEU 19 -3.373 0.225 0.153 134 HD13 LEU 19 3HD1 LEU 19 -3.965 1.096 1.567 135 HD21 LEU 19 3HD2 LEU 19 -1.339 -1.334 2.749 136 HD22 LEU 19 1HD2 LEU 19 -1.529 0.319 2.163 137 HD23 LEU 19 2HD2 LEU 19 -1.377 -1.011 1.015 138 H GLU 20 H GLU 20 -4.549 -3.417 3.965 139 HA GLU 20 HA GLU 20 -4.840 -4.789 1.684 140 HB2 GLU 20 1HB GLU 20 -5.383 -5.578 4.515 141 HB3 GLU 20 2HB GLU 20 -5.752 -6.721 3.232 142 HG2 GLU 20 1HG GLU 20 -3.313 -6.181 2.460 143 HG3 GLU 20 2HG GLU 20 -3.120 -5.671 4.137 144 H GLN 21 H GLN 21 -7.516 -4.159 3.940 145 HA GLN 21 HA GLN 21 -9.499 -5.437 2.385 146 HB2 GLN 21 1HB GLN 21 -9.761 -3.259 4.464 147 HB3 GLN 21 2HB GLN 21 -11.103 -4.185 3.805 148 HG2 GLN 21 1HG GLN 21 -8.783 -5.493 5.185 149 HG3 GLN 21 2HG GLN 21 -10.193 -4.899 6.061 150 HE21 GLN 21 1HE2 GLN 21 -11.215 -6.684 6.681 151 HE22 GLN 21 2HE2 GLN 21 -11.721 -7.962 5.635 152 H LEU 22 H LEU 22 -8.911 -1.952 2.885 153 HA LEU 22 HA LEU 22 -10.699 -0.900 1.116 154 HB2 LEU 22 1HB LEU 22 -7.892 -0.007 1.727 155 HB3 LEU 22 2HB LEU 22 -9.022 0.950 0.772 156 HG LEU 22 HG LEU 22 -9.589 0.094 3.602 157 HD11 LEU 22 1HD1 LEU 22 -8.735 2.863 2.952 158 HD12 LEU 22 2HD1 LEU 22 -7.494 1.620 3.111 159 HD13 LEU 22 3HD1 LEU 22 -8.585 1.953 4.455 160 HD21 LEU 22 3HD2 LEU 22 -11.569 0.702 2.437 161 HD22 LEU 22 1HD2 LEU 22 -10.792 2.116 1.724 162 HD23 LEU 22 2HD2 LEU 22 -11.129 2.074 3.454 163 H LEU 23 H LEU 23 -7.562 -2.323 0.376 164 HA LEU 23 HA LEU 23 -7.263 -1.579 -2.267 165 HB2 LEU 23 1HB LEU 23 -6.514 -4.091 -0.805 166 HB3 LEU 23 2HB LEU 23 -6.110 -3.851 -2.504 167 HG LEU 23 HG LEU 23 -5.214 -2.018 -0.283 168 HD11 LEU 23 1HD1 LEU 23 -4.366 -4.445 -0.230 169 HD12 LEU 23 2HD1 LEU 23 -3.181 -3.140 -0.176 170 HD13 LEU 23 3HD1 LEU 23 -3.468 -4.008 -1.684 171 HD21 LEU 23 3HD2 LEU 23 -3.721 -1.103 -1.916 172 HD22 LEU 23 1HD2 LEU 23 -5.353 -1.076 -2.586 173 HD23 LEU 23 2HD2 LEU 23 -4.206 -2.310 -3.109 174 H ILE 24 H ILE 24 -9.050 -4.353 -0.957 175 HA ILE 24 HA ILE 24 -9.877 -5.378 -3.459 176 HB ILE 24 HB ILE 24 -11.181 -5.705 -0.754 177 HG12 ILE 24 1HG1 ILE 24 -9.327 -7.611 -2.186 178 HG13 ILE 24 2HG1 ILE 24 -8.763 -6.437 -1.001 179 HG21 ILE 24 1HG2 ILE 24 -11.490 -7.352 -3.261 180 HG22 ILE 24 2HG2 ILE 24 -12.240 -7.680 -1.700 181 HG23 ILE 24 3HG2 ILE 24 -12.691 -6.238 -2.608 182 HD11 ILE 24 3HD1 ILE 24 -9.708 -7.554 0.754 183 HD12 ILE 24 1HD1 ILE 24 -10.955 -8.298 -0.246 184 HD13 ILE 24 2HD1 ILE 24 -9.297 -8.898 -0.311 185 H LYS 25 H LYS 25 -11.538 -3.321 -1.079 186 HA LYS 25 HA LYS 25 -13.948 -3.035 -2.472 187 HB2 LYS 25 1HB LYS 25 -13.729 -2.389 -0.138 188 HB3 LYS 25 2HB LYS 25 -12.580 -1.127 -0.566 189 HG2 LYS 25 1HG LYS 25 -14.450 -0.124 -1.970 190 HG3 LYS 25 2HG LYS 25 -15.527 -1.232 -1.117 191 HD2 LYS 25 1HD LYS 25 -15.255 -0.157 0.898 192 HD3 LYS 25 2HD LYS 25 -13.664 0.475 0.467 193 HE2 LYS 25 1HE LYS 25 -14.535 2.255 -0.688 194 HE3 LYS 25 2HE LYS 25 -16.036 1.412 -1.070 195 HZ1 LYS 25 3HZ LYS 25 -16.984 2.035 0.864 196 HZ2 LYS 25 1HZ LYS 25 -15.874 3.308 0.766 197 HZ3 LYS 25 2HZ LYS 25 -15.541 1.969 1.743 198 H TYR 26 H TYR 26 -10.896 -1.323 -2.750 199 HA TYR 26 HA TYR 26 -12.045 0.386 -4.845 200 HB2 TYR 26 1HB TYR 26 -9.604 0.642 -3.105 201 HB3 TYR 26 2HB TYR 26 -9.773 1.586 -4.581 202 HD1 TYR 26 1HD TYR 26 -11.809 3.101 -4.805 203 HD2 TYR 26 2HD TYR 26 -10.633 1.339 -1.115 204 HE1 TYR 26 1HE TYR 26 -13.139 4.774 -3.589 205 HE2 TYR 26 2HE TYR 26 -11.960 3.007 0.111 206 HH TYR 26 HH TYR 26 -12.850 5.285 -0.260 207 HA PRO 27 HA PRO 27 -9.873 -2.695 -7.408 208 HB2 PRO 27 1HB PRO 27 -11.424 -2.265 -9.594 209 HB3 PRO 27 2HB PRO 27 -11.906 -3.331 -8.269 210 HG2 PRO 27 1HG PRO 27 -12.711 -0.499 -8.809 211 HG3 PRO 27 2HG PRO 27 -13.712 -1.867 -8.288 212 HD2 PRO 27 1HD PRO 27 -12.821 0.026 -6.568 213 HD3 PRO 27 2HD PRO 27 -13.061 -1.666 -6.086 214 HA PRO 28 HA PRO 28 -7.257 -0.098 -9.805 215 HB2 PRO 28 1HB PRO 28 -6.915 -1.505 -12.101 216 HB3 PRO 28 2HB PRO 28 -6.196 -1.991 -10.561 217 HG2 PRO 28 1HG PRO 28 -8.675 -3.005 -11.897 218 HG3 PRO 28 2HG PRO 28 -7.396 -3.916 -11.073 219 HD2 PRO 28 1HD PRO 28 -9.765 -3.338 -9.894 220 HD3 PRO 28 2HD PRO 28 -8.248 -3.461 -8.980 221 H GLU 29 H GLU 29 -7.056 1.206 -11.754 222 HA GLU 29 HA GLU 29 -9.295 1.373 -13.561 223 HB2 GLU 29 1HB GLU 29 -9.611 3.859 -12.976 224 HB3 GLU 29 2HB GLU 29 -10.350 2.663 -11.922 225 HG2 GLU 29 1HG GLU 29 -7.695 3.963 -11.376 226 HG3 GLU 29 2HG GLU 29 -9.233 4.551 -10.745 227 H GLU 30 H GLU 30 -8.981 3.539 -14.916 228 HA GLU 30 HA GLU 30 -6.625 3.260 -16.358 229 HB2 GLU 30 1HB GLU 30 -7.203 5.418 -17.406 230 HB3 GLU 30 2HB GLU 30 -8.585 4.336 -17.301 231 HG2 GLU 30 1HG GLU 30 -9.445 5.554 -15.405 232 HG3 GLU 30 2HG GLU 30 -8.019 6.589 -15.388 233 H VAL 31 H VAL 31 -7.441 5.635 -13.849 234 HA VAL 31 HA VAL 31 -4.642 6.522 -13.821 235 HB VAL 31 HB VAL 31 -7.076 7.775 -12.541 236 HG11 VAL 31 1HG1 VAL 31 -4.389 9.072 -12.824 237 HG12 VAL 31 2HG1 VAL 31 -5.730 9.509 -11.764 238 HG13 VAL 31 3HG1 VAL 31 -4.772 8.067 -11.427 239 HG21 VAL 31 3HG2 VAL 31 -7.390 8.934 -14.420 240 HG22 VAL 31 1HG2 VAL 31 -5.677 9.337 -14.539 241 HG23 VAL 31 2HG2 VAL 31 -6.272 7.814 -15.198 242 H GLU 32 H GLU 32 -3.343 5.664 -12.351 243 HA GLU 32 HA GLU 32 -4.357 4.128 -10.152 244 HB2 GLU 32 1HB GLU 32 -2.135 3.879 -11.572 245 HB3 GLU 32 2HB GLU 32 -1.487 4.926 -10.318 246 HG2 GLU 32 1HG GLU 32 -2.284 3.298 -8.624 247 HG3 GLU 32 2HG GLU 32 -2.764 2.229 -9.941 248 H SER 33 H SER 33 -3.192 7.364 -10.617 249 HA SER 33 HA SER 33 -2.502 7.995 -7.964 250 HB2 SER 33 1HB SER 33 -3.609 9.850 -10.087 251 HB3 SER 33 2HB SER 33 -2.709 10.331 -8.648 252 HG SER 33 HG SER 33 -1.035 8.820 -9.597 253 H ARG 34 H ARG 34 -5.512 8.718 -9.740 254 HA ARG 34 HA ARG 34 -6.955 9.789 -7.632 255 HB2 ARG 34 1HB ARG 34 -8.884 9.504 -8.946 256 HB3 ARG 34 2HB ARG 34 -7.576 9.668 -10.111 257 HG2 ARG 34 1HG ARG 34 -7.616 7.397 -10.653 258 HG3 ARG 34 2HG ARG 34 -8.536 6.978 -9.207 259 HD2 ARG 34 1HD ARG 34 -9.557 8.602 -11.534 260 HD3 ARG 34 2HD ARG 34 -9.919 6.903 -11.233 261 HE ARG 34 HE ARG 34 -10.607 8.697 -9.075 262 HH11 ARG 34 1HH1 ARG 34 -11.673 7.108 -11.983 263 HH12 ARG 34 2HH1 ARG 34 -13.355 7.227 -11.587 264 HH21 ARG 34 1HH2 ARG 34 -12.818 8.861 -8.543 265 HH22 ARG 34 2HH2 ARG 34 -14.006 8.226 -9.631 266 H ARG 35 H ARG 35 -6.366 6.435 -8.472 267 HA ARG 35 HA ARG 35 -8.298 5.210 -6.869 268 HB2 ARG 35 1HB ARG 35 -7.149 3.855 -8.437 269 HB3 ARG 35 2HB ARG 35 -5.577 4.316 -7.798 270 HG2 ARG 35 1HG ARG 35 -6.185 3.128 -5.681 271 HG3 ARG 35 2HG ARG 35 -7.622 2.528 -6.511 272 HD2 ARG 35 1HD ARG 35 -6.335 1.302 -8.063 273 HD3 ARG 35 2HD ARG 35 -4.851 2.138 -7.606 274 HE ARG 35 HE ARG 35 -5.545 0.926 -5.315 275 HH11 ARG 35 1HH1 ARG 35 -5.284 -0.239 -8.585 276 HH12 ARG 35 2HH1 ARG 35 -4.854 -1.850 -8.115 277 HH21 ARG 35 1HH2 ARG 35 -4.980 -1.192 -4.684 278 HH22 ARG 35 2HH2 ARG 35 -4.683 -2.391 -5.896 279 H TRP 36 H TRP 36 -4.871 5.845 -6.108 280 HA TRP 36 HA TRP 36 -4.953 4.979 -3.455 281 HB2 TRP 36 1HB TRP 36 -3.202 7.225 -4.453 282 HB3 TRP 36 2HB TRP 36 -2.858 6.074 -3.165 283 HD1 TRP 36 HD TRP 36 -1.512 6.721 -6.311 284 HE1 TRP 36 1HE TRP 36 -0.731 4.613 -7.565 285 HE3 TRP 36 3HE TRP 36 -4.064 3.191 -3.634 286 HZ2 TRP 36 2HZ TRP 36 -1.144 1.824 -7.437 287 HZ3 TRP 36 3HZ TRP 36 -3.816 0.826 -4.264 288 HH2 TRP 36 HH TRP 36 -2.387 0.158 -6.127 289 H GLN 37 H GLN 37 -5.677 8.126 -4.872 290 HA GLN 37 HA GLN 37 -5.838 9.666 -2.570 291 HB2 GLN 37 1HB GLN 37 -5.981 10.587 -4.845 292 HB3 GLN 37 2HB GLN 37 -7.567 9.853 -5.043 293 HG2 GLN 37 1HG GLN 37 -8.076 12.041 -4.529 294 HG3 GLN 37 2HG GLN 37 -8.219 11.233 -2.968 295 HE21 GLN 37 1HE2 GLN 37 -6.443 11.428 -1.482 296 HE22 GLN 37 2HE2 GLN 37 -5.437 12.831 -1.524 297 H LYS 38 H LYS 38 -8.284 7.583 -4.053 298 HA LYS 38 HA LYS 38 -10.409 8.246 -2.334 299 HB2 LYS 38 1HB LYS 38 -9.829 5.737 -3.911 300 HB3 LYS 38 2HB LYS 38 -11.332 6.005 -3.038 301 HG2 LYS 38 1HG LYS 38 -11.839 7.919 -4.417 302 HG3 LYS 38 2HG LYS 38 -10.285 7.771 -5.241 303 HD2 LYS 38 1HD LYS 38 -12.230 5.491 -5.217 304 HD3 LYS 38 2HD LYS 38 -12.404 6.811 -6.376 305 HE2 LYS 38 1HE LYS 38 -9.974 6.390 -6.987 306 HE3 LYS 38 2HE LYS 38 -10.106 4.896 -6.061 307 HZ1 LYS 38 3HZ LYS 38 -12.295 4.961 -7.749 308 HZ2 LYS 38 1HZ LYS 38 -10.937 3.958 -7.869 309 HZ3 LYS 38 2HZ LYS 38 -10.976 5.433 -8.697 310 H ILE 39 H ILE 39 -8.251 5.404 -2.256 311 HA ILE 39 HA ILE 39 -9.158 4.296 0.117 312 HB ILE 39 HB ILE 39 -6.381 4.264 -1.064 313 HG12 ILE 39 1HG1 ILE 39 -8.302 1.963 -0.991 314 HG13 ILE 39 2HG1 ILE 39 -8.491 3.216 -2.212 315 HG21 ILE 39 1HG2 ILE 39 -6.295 2.105 0.418 316 HG22 ILE 39 2HG2 ILE 39 -5.898 3.680 1.103 317 HG23 ILE 39 3HG2 ILE 39 -7.489 2.973 1.383 318 HD11 ILE 39 3HD1 ILE 39 -6.112 1.431 -1.788 319 HD12 ILE 39 1HD1 ILE 39 -7.231 1.428 -3.150 320 HD13 ILE 39 2HD1 ILE 39 -6.141 2.794 -2.906 321 H ALA 40 H ALA 40 -6.393 6.508 -0.316 322 HA ALA 40 HA ALA 40 -5.591 6.786 2.292 323 HB1 ALA 40 3HB ALA 40 -4.663 8.928 1.678 324 HB2 ALA 40 1HB ALA 40 -4.457 7.794 0.344 325 HB3 ALA 40 2HB ALA 40 -5.723 9.021 0.272 326 H ASP 41 H ASP 41 -8.126 8.650 0.635 327 HA ASP 41 HA ASP 41 -8.824 10.415 2.620 328 HB2 ASP 41 1HB ASP 41 -9.788 10.097 0.227 329 HB3 ASP 41 2HB ASP 41 -10.954 9.035 1.012 330 H GLU 42 H GLU 42 -9.896 7.059 2.235 331 HA GLU 42 HA GLU 42 -11.696 7.041 4.404 332 HB2 GLU 42 1HB GLU 42 -10.327 4.975 2.758 333 HB3 GLU 42 2HB GLU 42 -11.019 4.463 4.291 334 HG2 GLU 42 1HG GLU 42 -12.481 5.794 2.023 335 HG3 GLU 42 2HG GLU 42 -12.591 4.101 2.499 336 H LEU 43 H LEU 43 -8.302 6.012 4.164 337 HA LEU 43 HA LEU 43 -7.941 5.084 6.747 338 HB2 LEU 43 1HB LEU 43 -6.086 6.409 4.799 339 HB3 LEU 43 2HB LEU 43 -5.527 5.906 6.393 340 HG LEU 43 HG LEU 43 -6.822 3.973 4.493 341 HD11 LEU 43 1HD1 LEU 43 -4.945 3.667 3.299 342 HD12 LEU 43 2HD1 LEU 43 -3.891 3.963 4.681 343 HD13 LEU 43 3HD1 LEU 43 -4.582 5.321 3.792 344 HD21 LEU 43 3HD2 LEU 43 -4.940 3.663 6.829 345 HD22 LEU 43 1HD2 LEU 43 -5.526 2.348 5.810 346 HD23 LEU 43 2HD2 LEU 43 -6.658 3.266 6.804 347 H GLY 44 H GLY 44 -7.567 8.396 5.511 348 HA2 GLY 44 1HA GLY 44 -7.992 10.375 6.671 349 HA3 GLY 44 2HA GLY 44 -8.189 9.440 8.146 350 H ASN 45 H ASN 45 -5.743 8.073 8.155 351 HA ASN 45 HA ASN 45 -4.005 10.222 9.035 352 HB2 ASN 45 1HB ASN 45 -4.473 7.975 10.261 353 HB3 ASN 45 2HB ASN 45 -3.291 7.306 9.140 354 HD21 ASN 45 1HD2 ASN 45 -3.530 8.195 12.152 355 HD22 ASN 45 2HD2 ASN 45 -1.978 8.899 12.438 356 H ARG 46 H ARG 46 -3.802 7.452 6.808 357 HA ARG 46 HA ARG 46 -1.262 8.261 5.764 358 HB2 ARG 46 1HB ARG 46 -3.269 6.148 5.061 359 HB3 ARG 46 2HB ARG 46 -1.957 6.514 3.947 360 HG2 ARG 46 1HG ARG 46 -1.504 5.802 6.831 361 HG3 ARG 46 2HG ARG 46 -1.560 4.606 5.535 362 HD2 ARG 46 1HD ARG 46 0.331 5.573 4.457 363 HD3 ARG 46 2HD ARG 46 0.291 6.980 5.519 364 HE ARG 46 HE ARG 46 1.573 4.508 6.036 365 HH11 ARG 46 1HH1 ARG 46 -0.231 7.049 7.590 366 HH12 ARG 46 2HH1 ARG 46 0.491 6.790 9.143 367 HH21 ARG 46 1HH2 ARG 46 2.531 4.157 8.077 368 HH22 ARG 46 2HH2 ARG 46 2.063 5.145 9.419 369 H THR 47 H THR 47 -0.980 8.575 3.356 370 HA THR 47 HA THR 47 -3.154 10.226 2.251 371 HB THR 47 HB THR 47 -1.511 11.781 1.328 372 HG1 THR 47 1HG THR 47 0.671 11.564 1.837 373 HG21 THR 47 3HG2 THR 47 -2.455 11.932 3.746 374 HG22 THR 47 1HG2 THR 47 -1.133 12.996 3.270 375 HG23 THR 47 2HG2 THR 47 -0.802 11.552 4.229 376 H ALA 48 H ALA 48 -3.131 10.440 -0.085 377 HA ALA 48 HA ALA 48 -3.178 8.195 -1.537 378 HB1 ALA 48 3HB ALA 48 -3.871 9.844 -2.891 379 HB2 ALA 48 1HB ALA 48 -2.736 11.012 -2.215 380 HB3 ALA 48 2HB ALA 48 -2.197 9.867 -3.444 381 H LYS 49 H LYS 49 -0.275 10.267 -1.391 382 HA LYS 49 HA LYS 49 1.425 8.619 -2.848 383 HB2 LYS 49 1HB LYS 49 1.803 10.769 -0.826 384 HB3 LYS 49 2HB LYS 49 3.192 9.758 -1.201 385 HG2 LYS 49 1HG LYS 49 1.658 10.912 -3.464 386 HG3 LYS 49 2HG LYS 49 2.692 11.986 -2.518 387 HD2 LYS 49 1HD LYS 49 4.622 10.915 -3.161 388 HD3 LYS 49 2HD LYS 49 3.799 9.381 -3.456 389 HE2 LYS 49 1HE LYS 49 2.613 10.772 -5.352 390 HE3 LYS 49 2HE LYS 49 4.054 11.777 -5.209 391 HZ1 LYS 49 3HZ LYS 49 5.425 10.037 -5.858 392 HZ2 LYS 49 1HZ LYS 49 4.082 9.858 -6.872 393 HZ3 LYS 49 2HZ LYS 49 4.267 8.849 -5.527 394 H GLN 50 H GLN 50 1.478 8.952 0.705 395 HA GLN 50 HA GLN 50 3.119 6.919 1.387 396 HB2 GLN 50 1HB GLN 50 0.509 7.543 2.779 397 HB3 GLN 50 2HB GLN 50 1.882 6.706 3.491 398 HG2 GLN 50 1HG GLN 50 2.008 9.521 2.443 399 HG3 GLN 50 2HG GLN 50 1.655 9.111 4.121 400 HE21 GLN 50 1HE2 GLN 50 3.682 10.638 4.014 401 HE22 GLN 50 2HE2 GLN 50 5.195 9.811 4.120 402 H VAL 51 H VAL 51 -0.282 6.598 0.482 403 HA VAL 51 HA VAL 51 -0.440 3.802 0.979 404 HB VAL 51 HB VAL 51 -2.157 5.535 -0.804 405 HG11 VAL 51 1HG1 VAL 51 -2.058 2.839 -0.885 406 HG12 VAL 51 2HG1 VAL 51 -3.253 3.077 0.392 407 HG13 VAL 51 3HG1 VAL 51 -3.514 3.780 -1.205 408 HG21 VAL 51 3HG2 VAL 51 -2.526 4.652 2.058 409 HG22 VAL 51 1HG2 VAL 51 -2.185 6.291 1.501 410 HG23 VAL 51 2HG2 VAL 51 -3.721 5.524 1.098 411 H ALA 52 H ALA 52 0.216 5.749 -1.898 412 HA ALA 52 HA ALA 52 0.175 3.741 -3.823 413 HB1 ALA 52 3HB ALA 52 0.353 6.208 -4.230 414 HB2 ALA 52 1HB ALA 52 2.065 6.085 -3.825 415 HB3 ALA 52 2HB ALA 52 1.422 5.212 -5.217 416 H SER 53 H SER 53 2.996 4.998 -2.037 417 HA SER 53 HA SER 53 4.893 3.243 -3.062 418 HB2 SER 53 1HB SER 53 4.749 4.557 -0.340 419 HB3 SER 53 2HB SER 53 6.173 3.721 -0.958 420 HG SER 53 HG SER 53 4.920 5.878 -2.303 421 H GLN 54 H GLN 54 2.813 2.895 -0.211 422 HA GLN 54 HA GLN 54 3.824 0.503 0.774 423 HB2 GLN 54 1HB GLN 54 2.047 2.060 1.782 424 HB3 GLN 54 2HB GLN 54 0.889 1.166 0.806 425 HG2 GLN 54 1HG GLN 54 0.861 0.220 2.972 426 HG3 GLN 54 2HG GLN 54 1.691 -0.922 1.917 427 HE21 GLN 54 1HE2 GLN 54 2.053 -1.244 4.526 428 HE22 GLN 54 2HE2 GLN 54 3.628 -0.729 5.014 429 H VAL 55 H VAL 55 1.260 1.028 -1.626 430 HA VAL 55 HA VAL 55 0.481 -1.593 -2.047 431 HB VAL 55 HB VAL 55 0.700 0.601 -4.114 432 HG11 VAL 55 1HG1 VAL 55 -1.314 -1.568 -4.309 433 HG12 VAL 55 2HG1 VAL 55 -0.492 -0.665 -5.583 434 HG13 VAL 55 3HG1 VAL 55 0.351 -1.960 -4.733 435 HG21 VAL 55 3HG2 VAL 55 -1.140 1.525 -3.252 436 HG22 VAL 55 1HG2 VAL 55 -1.941 -0.038 -3.089 437 HG23 VAL 55 2HG2 VAL 55 -0.848 0.529 -1.826 438 H GLN 56 H GLN 56 3.205 0.172 -3.448 439 HA GLN 56 HA GLN 56 4.020 -1.660 -5.363 440 HB2 GLN 56 1HB GLN 56 5.722 0.139 -3.630 441 HB3 GLN 56 2HB GLN 56 6.287 -0.684 -5.078 442 HG2 GLN 56 1HG GLN 56 3.996 1.260 -5.075 443 HG3 GLN 56 2HG GLN 56 5.671 1.730 -5.361 444 HE21 GLN 56 1HE2 GLN 56 5.494 2.347 -7.450 445 HE22 GLN 56 2HE2 GLN 56 5.074 1.281 -8.743 446 H LYS 57 H LYS 57 5.021 -1.451 -1.955 447 HA LYS 57 HA LYS 57 6.488 -3.936 -2.139 448 HB2 LYS 57 1HB LYS 57 5.845 -2.230 0.274 449 HB3 LYS 57 2HB LYS 57 6.986 -3.568 0.234 450 HG2 LYS 57 1HG LYS 57 8.530 -2.384 -1.023 451 HG3 LYS 57 2HG LYS 57 7.322 -1.235 -1.605 452 HD2 LYS 57 1HD LYS 57 7.125 -0.342 0.697 453 HD3 LYS 57 2HD LYS 57 8.416 -1.435 1.201 454 HE2 LYS 57 1HE LYS 57 8.909 0.366 -1.115 455 HE3 LYS 57 2HE LYS 57 8.905 1.068 0.502 456 HZ1 LYS 57 3HZ LYS 57 10.424 -1.273 0.585 457 HZ2 LYS 57 1HZ LYS 57 10.954 0.322 0.779 458 HZ3 LYS 57 2HZ LYS 57 10.944 -0.385 -0.758 459 H TYR 58 H TYR 58 3.474 -3.732 -2.485 460 HA TYR 58 HA TYR 58 2.743 -5.735 -0.449 461 HB2 TYR 58 1HB TYR 58 1.244 -3.430 -1.585 462 HB3 TYR 58 2HB TYR 58 0.331 -4.894 -1.239 463 HD1 TYR 58 1HD TYR 58 3.240 -3.651 0.685 464 HD2 TYR 58 2HD TYR 58 -0.986 -4.131 0.571 465 HE1 TYR 58 1HE TYR 58 3.109 -3.002 3.054 466 HE2 TYR 58 2HE TYR 58 -1.129 -3.483 2.939 467 HH TYR 58 HH TYR 58 -0.017 -2.771 4.724 468 H PHE 59 H PHE 59 2.503 -4.774 -3.827 469 HA PHE 59 HA PHE 59 1.413 -7.420 -4.491 470 HB2 PHE 59 1HB PHE 59 1.520 -4.875 -6.123 471 HB3 PHE 59 2HB PHE 59 0.879 -6.409 -6.702 472 HD1 PHE 59 2HD PHE 59 0.479 -4.282 -3.657 473 HD2 PHE 59 1HD PHE 59 -1.402 -6.522 -6.749 474 HE1 PHE 59 2HE PHE 59 -1.726 -3.703 -2.731 475 HE2 PHE 59 1HE PHE 59 -3.610 -5.946 -5.829 476 HZ PHE 59 HZ PHE 59 -3.774 -4.536 -3.816 477 H ILE 60 H ILE 60 3.972 -5.132 -5.356 478 HA ILE 60 HA ILE 60 5.218 -6.840 -7.260 479 HB ILE 60 HB ILE 60 6.463 -4.550 -5.737 480 HG12 ILE 60 1HG1 ILE 60 5.121 -4.499 -8.446 481 HG13 ILE 60 2HG1 ILE 60 4.358 -3.952 -6.957 482 HG21 ILE 60 1HG2 ILE 60 7.752 -6.368 -7.240 483 HG22 ILE 60 2HG2 ILE 60 7.291 -5.212 -8.488 484 HG23 ILE 60 3HG2 ILE 60 8.253 -4.682 -7.108 485 HD11 ILE 60 3HD1 ILE 60 5.888 -2.165 -6.730 486 HD12 ILE 60 1HD1 ILE 60 6.928 -2.804 -8.002 487 HD13 ILE 60 2HD1 ILE 60 5.336 -2.158 -8.404 488 H LYS 61 H LYS 61 5.544 -6.366 -3.807 489 HA LYS 61 HA LYS 61 7.937 -7.972 -3.614 490 HB2 LYS 61 1HB LYS 61 7.318 -6.033 -2.078 491 HB3 LYS 61 2HB LYS 61 6.148 -7.119 -1.341 492 HG2 LYS 61 1HG LYS 61 7.997 -8.674 -0.803 493 HG3 LYS 61 2HG LYS 61 9.135 -7.484 -1.440 494 HD2 LYS 61 1HD LYS 61 7.187 -6.598 0.625 495 HD3 LYS 61 2HD LYS 61 8.540 -7.608 1.139 496 HE2 LYS 61 1HE LYS 61 9.976 -5.929 -0.222 497 HE3 LYS 61 2HE LYS 61 8.570 -4.875 -0.083 498 HZ1 LYS 61 3HZ LYS 61 9.179 -4.358 1.967 499 HZ2 LYS 61 1HZ LYS 61 10.570 -5.307 1.801 500 HZ3 LYS 61 2HZ LYS 61 9.156 -5.983 2.436 501 H LEU 62 H LEU 62 5.835 -9.334 -4.889 502 HA LEU 62 HA LEU 62 5.388 -11.507 -2.960 503 HB2 LEU 62 1HB LEU 62 3.409 -10.306 -4.878 504 HB3 LEU 62 2HB LEU 62 3.202 -11.915 -4.189 505 HG LEU 62 HG LEU 62 3.424 -9.400 -2.541 506 HD11 LEU 62 1HD1 LEU 62 0.913 -10.906 -3.240 507 HD12 LEU 62 2HD1 LEU 62 1.433 -9.432 -4.058 508 HD13 LEU 62 3HD1 LEU 62 1.054 -9.398 -2.336 509 HD21 LEU 62 3HD2 LEU 62 3.672 -10.854 -0.877 510 HD22 LEU 62 1HD2 LEU 62 3.375 -12.225 -1.945 511 HD23 LEU 62 2HD2 LEU 62 2.020 -11.387 -1.189 512 H THR 63 H THR 63 5.864 -10.485 -6.274 513 HA THR 63 HA THR 63 5.759 -13.042 -7.478 514 HB THR 63 HB THR 63 5.563 -11.058 -8.850 515 HG1 THR 63 1HG THR 63 6.958 -11.713 -10.481 516 HG21 THR 63 3HG2 THR 63 6.801 -9.306 -8.149 517 HG22 THR 63 1HG2 THR 63 8.025 -9.973 -9.228 518 HG23 THR 63 2HG2 THR 63 8.077 -10.336 -7.502 519 H LYS 64 H LYS 64 7.010 -14.138 -5.717 520 HA LYS 64 HA LYS 64 8.969 -14.899 -4.749 521 HB2 LYS 64 1HB LYS 64 8.503 -16.197 -6.889 522 HB3 LYS 64 2HB LYS 64 9.749 -15.214 -7.646 523 HG2 LYS 64 1HG LYS 64 11.397 -16.050 -6.071 524 HG3 LYS 64 2HG LYS 64 10.154 -16.999 -5.254 525 HD2 LYS 64 1HD LYS 64 11.193 -18.546 -6.657 526 HD3 LYS 64 2HD LYS 64 9.754 -18.069 -7.562 527 HE2 LYS 64 1HE LYS 64 10.992 -16.714 -9.025 528 HE3 LYS 64 2HE LYS 64 12.396 -16.699 -7.959 529 HZ1 LYS 64 3HZ LYS 64 11.731 -19.351 -8.717 530 HZ2 LYS 64 1HZ LYS 64 13.183 -18.510 -8.935 531 HZ3 LYS 64 2HZ LYS 64 11.952 -18.386 -10.089 532 H ALA 65 H ALA 65 9.048 -12.063 -5.026 533 HA ALA 65 HA ALA 65 10.480 -10.275 -5.190 534 HB1 ALA 65 3HB ALA 65 12.804 -11.006 -4.129 535 HB2 ALA 65 1HB ALA 65 11.342 -10.822 -3.159 536 HB3 ALA 65 2HB ALA 65 11.857 -12.425 -3.684 537 H GLY 66 H GLY 66 10.298 -11.335 -7.668 538 HA2 GLY 66 1HA GLY 66 13.018 -11.772 -8.659 539 HA3 GLY 66 2HA GLY 66 11.535 -11.991 -9.575 540 H ILE 67 H ILE 67 10.506 -9.356 -8.661 541 HA ILE 67 HA ILE 67 11.765 -7.785 -10.740 542 HB ILE 67 HB ILE 67 9.447 -7.127 -8.919 543 HG12 ILE 67 1HG1 ILE 67 9.343 -7.752 -11.864 544 HG13 ILE 67 2HG1 ILE 67 9.234 -9.019 -10.647 545 HG21 ILE 67 1HG2 ILE 67 9.084 -5.172 -10.135 546 HG22 ILE 67 2HG2 ILE 67 10.832 -5.202 -9.906 547 HG23 ILE 67 3HG2 ILE 67 10.137 -5.684 -11.453 548 HD11 ILE 67 3HD1 ILE 67 7.065 -8.082 -11.598 549 HD12 ILE 67 1HD1 ILE 67 7.194 -8.231 -9.845 550 HD13 ILE 67 2HD1 ILE 67 7.396 -6.657 -10.614 551 HA PRO 68 HA PRO 68 14.479 -5.550 -8.076 552 HB2 PRO 68 1HB PRO 68 14.956 -3.428 -9.700 553 HB3 PRO 68 2HB PRO 68 15.657 -5.026 -9.978 554 HG2 PRO 68 1HG PRO 68 13.270 -3.755 -11.262 555 HG3 PRO 68 2HG PRO 68 14.571 -4.701 -12.009 556 HD2 PRO 68 1HD PRO 68 12.145 -5.758 -11.438 557 HD3 PRO 68 2HD PRO 68 13.640 -6.713 -11.379 558 H VAL 69 H VAL 69 13.796 -4.494 -6.327 559 HA VAL 69 HA VAL 69 11.733 -2.424 -6.616 560 HB VAL 69 HB VAL 69 11.156 -4.163 -5.032 561 HG11 VAL 69 1HG1 VAL 69 13.095 -5.140 -4.269 562 HG12 VAL 69 2HG1 VAL 69 13.879 -3.591 -3.952 563 HG13 VAL 69 3HG1 VAL 69 12.620 -4.182 -2.867 564 HG21 VAL 69 3HG2 VAL 69 11.031 -2.701 -2.918 565 HG22 VAL 69 1HG2 VAL 69 11.809 -1.463 -3.904 566 HG23 VAL 69 2HG2 VAL 69 10.242 -2.118 -4.383 567 H SER 70 H SER 70 15.008 -2.988 -5.538 568 HA SER 70 HA SER 70 15.430 -0.107 -5.392 569 HB2 SER 70 1HB SER 70 14.901 -1.121 -3.061 570 HB3 SER 70 2HB SER 70 16.516 -1.820 -3.171 571 HG SER 70 HG SER 70 15.933 0.566 -2.350 572 H GLY 71 H GLY 71 17.795 0.417 -5.208 573 HA2 GLY 71 1HA GLY 71 19.522 -1.717 -6.252 574 HA3 GLY 71 2HA GLY 71 19.365 -0.230 -7.176 575 HA PRO 72 HA PRO 72 22.780 1.373 -4.926 576 HB2 PRO 72 1HB PRO 72 22.349 4.027 -5.299 577 HB3 PRO 72 2HB PRO 72 22.937 2.960 -6.580 578 HG2 PRO 72 1HG PRO 72 20.160 3.955 -6.070 579 HG3 PRO 72 2HG PRO 72 21.033 3.814 -7.606 580 HD2 PRO 72 1HD PRO 72 19.192 1.998 -6.806 581 HD3 PRO 72 2HD PRO 72 20.603 1.557 -7.789 582 H SER 73 H SER 73 22.340 0.825 -2.788 583 HA SER 73 HA SER 73 21.265 3.006 -1.169 584 HB2 SER 73 1HB SER 73 19.479 1.203 -1.660 585 HB3 SER 73 2HB SER 73 20.417 0.179 -0.573 586 HG SER 73 HG SER 73 19.306 1.142 0.927 587 H SER 74 H SER 74 21.563 2.356 1.266 588 HA SER 74 HA SER 74 23.797 0.636 1.824 589 HB2 SER 74 1HB SER 74 24.847 2.753 0.906 590 HB3 SER 74 2HB SER 74 24.201 3.591 2.317 591 HG SER 74 HG SER 74 26.348 2.883 2.655 592 H GLY 75 H GLY 75 24.543 1.128 4.227 593 HA2 GLY 75 1HA GLY 75 23.913 1.689 6.436 594 HA3 GLY 75 2HA GLY 75 22.279 1.997 5.865 Start of MODEL 2 1 H1 GLY 1 H GLY 1 12.750 -12.711 12.112 2 HA2 GLY 1 1HA GLY 1 14.429 -11.154 12.299 3 HA3 GLY 1 2HA GLY 1 15.065 -11.778 10.784 4 H SER 2 H SER 2 13.377 -9.234 12.316 5 HA SER 2 HA SER 2 12.795 -7.985 9.714 6 HB2 SER 2 1HB SER 2 11.567 -7.615 12.442 7 HB3 SER 2 2HB SER 2 11.345 -6.429 11.156 8 HG SER 2 HG SER 2 9.928 -8.563 11.529 9 H SER 3 H SER 3 14.050 -6.368 9.085 10 HA SER 3 HA SER 3 15.708 -5.012 11.105 11 HB2 SER 3 1HB SER 3 17.268 -4.506 9.271 12 HB3 SER 3 2HB SER 3 16.992 -6.243 9.408 13 HG SER 3 HG SER 3 16.683 -4.753 7.276 14 H GLY 4 H GLY 4 16.291 -2.721 10.537 15 HA2 GLY 4 1HA GLY 4 13.849 -1.265 10.018 16 HA3 GLY 4 2HA GLY 4 15.394 -0.579 10.501 17 H SER 5 H SER 5 13.204 -0.600 8.091 18 HA SER 5 HA SER 5 15.128 -0.487 5.897 19 HB2 SER 5 1HB SER 5 12.968 -1.718 5.620 20 HB3 SER 5 2HB SER 5 12.118 -0.182 5.791 21 HG SER 5 HG SER 5 12.545 0.214 3.782 22 H SER 6 H SER 6 12.414 1.535 7.033 23 HA SER 6 HA SER 6 13.957 3.899 6.183 24 HB2 SER 6 1HB SER 6 11.923 3.466 4.803 25 HB3 SER 6 2HB SER 6 10.942 3.636 6.258 26 HG SER 6 HG SER 6 11.305 5.561 4.820 27 H GLY 7 H GLY 7 13.939 5.717 7.510 28 HA2 GLY 7 1HA GLY 7 13.670 5.180 10.304 29 HA3 GLY 7 2HA GLY 7 14.104 6.720 9.579 30 H ASN 8 H ASN 8 11.917 7.317 8.063 31 HA ASN 8 HA ASN 8 10.185 8.535 9.802 32 HB2 ASN 8 1HB ASN 8 10.418 8.789 7.239 33 HB3 ASN 8 2HB ASN 8 9.214 7.508 7.146 34 HD21 ASN 8 1HD2 ASN 8 8.365 9.611 5.991 35 HD22 ASN 8 2HD2 ASN 8 7.286 10.554 6.956 36 H GLN 9 H GLN 9 8.112 8.096 10.596 37 HA GLN 9 HA GLN 9 7.610 5.724 11.789 38 HB2 GLN 9 1HB GLN 9 5.232 6.352 11.880 39 HB3 GLN 9 2HB GLN 9 6.285 7.715 12.237 40 HG2 GLN 9 1HG GLN 9 4.597 8.560 10.850 41 HG3 GLN 9 2HG GLN 9 6.017 8.391 9.820 42 HE21 GLN 9 1HE2 GLN 9 5.414 7.801 7.870 43 HE22 GLN 9 2HE2 GLN 9 4.226 6.606 7.487 44 H LEU 10 H LEU 10 6.502 3.827 11.353 45 HA LEU 10 HA LEU 10 6.156 3.238 8.494 46 HB2 LEU 10 1HB LEU 10 6.956 1.612 10.857 47 HB3 LEU 10 2HB LEU 10 6.137 0.810 9.518 48 HG LEU 10 HG LEU 10 8.533 2.487 8.937 49 HD11 LEU 10 1HD1 LEU 10 9.759 1.311 10.394 50 HD12 LEU 10 2HD1 LEU 10 9.603 -0.000 9.226 51 HD13 LEU 10 3HD1 LEU 10 8.510 0.084 10.608 52 HD21 LEU 10 3HD2 LEU 10 8.707 1.175 7.044 53 HD22 LEU 10 1HD2 LEU 10 6.960 1.263 7.269 54 HD23 LEU 10 2HD2 LEU 10 7.842 -0.179 7.773 55 H TRP 11 H TRP 11 4.400 1.775 7.895 56 HA TRP 11 HA TRP 11 1.909 2.661 8.759 57 HB2 TRP 11 1HB TRP 11 2.737 0.163 7.284 58 HB3 TRP 11 2HB TRP 11 1.050 0.555 7.601 59 HD1 TRP 11 HD TRP 11 4.038 2.574 6.128 60 HE1 TRP 11 1HE TRP 11 3.196 3.787 4.020 61 HE3 TRP 11 3HE TRP 11 -0.811 0.953 6.140 62 HZ2 TRP 11 2HZ TRP 11 0.794 4.026 2.556 63 HZ3 TRP 11 3HZ TRP 11 -2.316 1.721 4.351 64 HH2 TRP 11 HH TRP 11 -1.528 3.226 2.597 65 H THR 12 H THR 12 0.597 2.141 10.394 66 HA THR 12 HA THR 12 1.531 0.347 12.435 67 HB THR 12 HB THR 12 0.383 2.437 13.032 68 HG1 THR 12 1HG THR 12 -1.360 1.221 14.350 69 HG21 THR 12 3HG2 THR 12 -1.731 2.994 12.394 70 HG22 THR 12 1HG2 THR 12 -2.274 1.318 12.334 71 HG23 THR 12 2HG2 THR 12 -1.310 1.981 11.014 72 H VAL 13 H VAL 13 0.029 -1.279 13.418 73 HA VAL 13 HA VAL 13 -0.612 -3.282 11.577 74 HB VAL 13 HB VAL 13 -0.148 -3.807 13.902 75 HG11 VAL 13 1HG1 VAL 13 -1.587 -1.681 14.597 76 HG12 VAL 13 2HG1 VAL 13 -2.823 -2.920 14.822 77 HG13 VAL 13 3HG1 VAL 13 -1.298 -3.025 15.701 78 HG21 VAL 13 3HG2 VAL 13 -1.807 -5.486 14.242 79 HG22 VAL 13 1HG2 VAL 13 -2.994 -4.587 13.296 80 HG23 VAL 13 2HG2 VAL 13 -1.593 -5.306 12.501 81 H GLU 14 H GLU 14 -2.614 -0.806 13.088 82 HA GLU 14 HA GLU 14 -5.119 -1.791 12.263 83 HB2 GLU 14 1HB GLU 14 -4.197 1.015 12.894 84 HB3 GLU 14 2HB GLU 14 -5.875 0.589 12.585 85 HG2 GLU 14 1HG GLU 14 -5.689 -1.053 14.484 86 HG3 GLU 14 2HG GLU 14 -4.134 -0.313 14.859 87 H GLU 15 H GLU 15 -2.795 0.366 10.711 88 HA GLU 15 HA GLU 15 -4.490 0.946 8.476 89 HB2 GLU 15 1HB GLU 15 -1.556 1.392 9.009 90 HB3 GLU 15 2HB GLU 15 -2.317 1.835 7.487 91 HG2 GLU 15 1HG GLU 15 -3.566 3.520 8.445 92 HG3 GLU 15 2HG GLU 15 -3.456 2.824 10.061 93 H GLN 16 H GLN 16 -1.609 -1.089 8.942 94 HA GLN 16 HA GLN 16 -1.279 -2.091 6.416 95 HB2 GLN 16 1HB GLN 16 -0.811 -3.211 9.139 96 HB3 GLN 16 2HB GLN 16 -0.668 -4.296 7.762 97 HG2 GLN 16 1HG GLN 16 0.880 -2.471 6.788 98 HG3 GLN 16 2HG GLN 16 0.973 -1.898 8.453 99 HE21 GLN 16 1HE2 GLN 16 3.103 -2.942 6.844 100 HE22 GLN 16 2HE2 GLN 16 3.702 -4.349 7.647 101 H LYS 17 H LYS 17 -3.447 -3.370 8.927 102 HA LYS 17 HA LYS 17 -4.505 -5.452 7.320 103 HB2 LYS 17 1HB LYS 17 -6.259 -5.604 9.053 104 HB3 LYS 17 2HB LYS 17 -4.641 -5.555 9.741 105 HG2 LYS 17 1HG LYS 17 -5.036 -3.044 10.022 106 HG3 LYS 17 2HG LYS 17 -6.737 -3.414 9.728 107 HD2 LYS 17 1HD LYS 17 -6.266 -5.256 11.578 108 HD3 LYS 17 2HD LYS 17 -5.005 -4.112 12.042 109 HE2 LYS 17 1HE LYS 17 -6.724 -3.292 13.293 110 HE3 LYS 17 2HE LYS 17 -6.999 -2.386 11.806 111 HZ1 LYS 17 3HZ LYS 17 -8.769 -4.079 13.094 112 HZ2 LYS 17 1HZ LYS 17 -8.314 -4.883 11.676 113 HZ3 LYS 17 2HZ LYS 17 -8.976 -3.329 11.592 114 H LYS 18 H LYS 18 -5.776 -2.249 8.210 115 HA LYS 18 HA LYS 18 -8.187 -2.358 6.847 116 HB2 LYS 18 1HB LYS 18 -7.074 -0.511 8.390 117 HB3 LYS 18 2HB LYS 18 -6.649 0.200 6.839 118 HG2 LYS 18 1HG LYS 18 -8.829 0.648 6.289 119 HG3 LYS 18 2HG LYS 18 -9.467 -0.635 7.319 120 HD2 LYS 18 1HD LYS 18 -10.032 1.172 8.590 121 HD3 LYS 18 2HD LYS 18 -8.410 0.880 9.222 122 HE2 LYS 18 1HE LYS 18 -8.243 3.112 8.799 123 HE3 LYS 18 2HE LYS 18 -7.745 2.489 7.227 124 HZ1 LYS 18 3HZ LYS 18 -9.718 4.283 7.629 125 HZ2 LYS 18 1HZ LYS 18 -10.590 2.839 7.492 126 HZ3 LYS 18 2HZ LYS 18 -9.552 3.322 6.247 127 H LEU 19 H LEU 19 -5.240 -0.735 5.652 128 HA LEU 19 HA LEU 19 -5.891 -0.075 3.147 129 HB2 LEU 19 1HB LEU 19 -3.682 0.320 3.844 130 HB3 LEU 19 2HB LEU 19 -3.382 -1.391 4.139 131 HG LEU 19 HG LEU 19 -3.491 -1.759 1.671 132 HD11 LEU 19 1HD1 LEU 19 -4.165 1.085 1.762 133 HD12 LEU 19 2HD1 LEU 19 -4.488 -0.122 0.518 134 HD13 LEU 19 3HD1 LEU 19 -2.916 0.674 0.586 135 HD21 LEU 19 3HD2 LEU 19 -1.322 -1.732 2.420 136 HD22 LEU 19 1HD2 LEU 19 -1.429 -0.073 3.010 137 HD23 LEU 19 2HD2 LEU 19 -1.292 -0.386 1.279 138 H GLU 20 H GLU 20 -4.791 -3.355 4.015 139 HA GLU 20 HA GLU 20 -4.970 -4.600 1.588 140 HB2 GLU 20 1HB GLU 20 -5.711 -5.661 4.315 141 HB3 GLU 20 2HB GLU 20 -5.588 -6.675 2.885 142 HG2 GLU 20 1HG GLU 20 -3.239 -6.059 2.644 143 HG3 GLU 20 2HG GLU 20 -3.361 -5.037 4.075 144 H GLN 21 H GLN 21 -7.626 -4.233 3.932 145 HA GLN 21 HA GLN 21 -9.607 -5.456 2.372 146 HB2 GLN 21 1HB GLN 21 -9.602 -3.588 4.695 147 HB3 GLN 21 2HB GLN 21 -11.110 -3.813 3.819 148 HG2 GLN 21 1HG GLN 21 -10.699 -5.287 5.845 149 HG3 GLN 21 2HG GLN 21 -11.227 -6.077 4.361 150 HE21 GLN 21 1HE2 GLN 21 -8.474 -5.426 6.427 151 HE22 GLN 21 2HE2 GLN 21 -7.510 -6.753 5.884 152 H LEU 22 H LEU 22 -8.582 -2.077 2.603 153 HA LEU 22 HA LEU 22 -10.573 -0.960 0.977 154 HB2 LEU 22 1HB LEU 22 -7.719 -0.071 1.368 155 HB3 LEU 22 2HB LEU 22 -9.003 0.906 0.661 156 HG LEU 22 HG LEU 22 -9.347 -0.162 3.427 157 HD11 LEU 22 1HD1 LEU 22 -8.257 2.466 3.533 158 HD12 LEU 22 2HD1 LEU 22 -7.131 1.418 2.669 159 HD13 LEU 22 3HD1 LEU 22 -7.665 0.988 4.294 160 HD21 LEU 22 3HD2 LEU 22 -11.207 0.967 2.340 161 HD22 LEU 22 1HD2 LEU 22 -10.191 2.375 2.030 162 HD23 LEU 22 2HD2 LEU 22 -10.599 1.930 3.687 163 H LEU 23 H LEU 23 -7.227 -1.840 0.100 164 HA LEU 23 HA LEU 23 -7.072 -1.307 -2.505 165 HB2 LEU 23 1HB LEU 23 -6.260 -3.795 -1.046 166 HB3 LEU 23 2HB LEU 23 -5.938 -3.612 -2.769 167 HG LEU 23 HG LEU 23 -4.984 -1.579 -0.776 168 HD11 LEU 23 1HD1 LEU 23 -3.526 -3.007 0.084 169 HD12 LEU 23 2HD1 LEU 23 -2.852 -3.265 -1.525 170 HD13 LEU 23 3HD1 LEU 23 -4.151 -4.303 -0.937 171 HD21 LEU 23 3HD2 LEU 23 -3.716 -2.387 -3.369 172 HD22 LEU 23 1HD2 LEU 23 -3.546 -0.880 -2.468 173 HD23 LEU 23 2HD2 LEU 23 -5.048 -1.231 -3.323 174 H ILE 24 H ILE 24 -8.648 -4.265 -1.289 175 HA ILE 24 HA ILE 24 -9.592 -5.110 -3.816 176 HB ILE 24 HB ILE 24 -10.671 -5.781 -1.075 177 HG12 ILE 24 1HG1 ILE 24 -8.952 -7.614 -2.690 178 HG13 ILE 24 2HG1 ILE 24 -8.180 -6.288 -1.827 179 HG21 ILE 24 1HG2 ILE 24 -10.942 -7.604 -3.403 180 HG22 ILE 24 2HG2 ILE 24 -11.989 -7.394 -2.001 181 HG23 ILE 24 3HG2 ILE 24 -12.020 -6.212 -3.310 182 HD11 ILE 24 3HD1 ILE 24 -10.043 -8.170 -0.434 183 HD12 ILE 24 1HD1 ILE 24 -8.340 -8.560 -0.672 184 HD13 ILE 24 2HD1 ILE 24 -8.796 -7.128 0.251 185 H LYS 25 H LYS 25 -11.184 -3.381 -1.149 186 HA LYS 25 HA LYS 25 -13.742 -3.180 -2.077 187 HB2 LYS 25 1HB LYS 25 -13.200 -2.257 0.054 188 HB3 LYS 25 2HB LYS 25 -12.052 -1.127 -0.652 189 HG2 LYS 25 1HG LYS 25 -14.134 -0.205 -1.904 190 HG3 LYS 25 2HG LYS 25 -15.034 -1.030 -0.629 191 HD2 LYS 25 1HD LYS 25 -12.753 0.703 0.168 192 HD3 LYS 25 2HD LYS 25 -14.238 1.486 -0.378 193 HE2 LYS 25 1HE LYS 25 -15.518 0.377 1.317 194 HE3 LYS 25 2HE LYS 25 -14.138 -0.621 1.775 195 HZ1 LYS 25 3HZ LYS 25 -14.205 1.052 3.370 196 HZ2 LYS 25 1HZ LYS 25 -14.553 2.266 2.244 197 HZ3 LYS 25 2HZ LYS 25 -13.007 1.583 2.301 198 H TYR 26 H TYR 26 -11.135 -0.857 -2.809 199 HA TYR 26 HA TYR 26 -12.740 0.333 -4.914 200 HB2 TYR 26 1HB TYR 26 -10.021 0.966 -3.774 201 HB3 TYR 26 2HB TYR 26 -10.664 1.792 -5.189 202 HD1 TYR 26 1HD TYR 26 -12.677 3.222 -4.976 203 HD2 TYR 26 2HD TYR 26 -10.799 1.484 -1.577 204 HE1 TYR 26 1HE TYR 26 -13.868 4.803 -3.516 205 HE2 TYR 26 2HE TYR 26 -11.985 3.060 -0.108 206 HH TYR 26 HH TYR 26 -14.528 5.102 -1.275 207 HA PRO 27 HA PRO 27 -11.045 -2.429 -7.964 208 HB2 PRO 27 1HB PRO 27 -12.265 -1.274 -10.097 209 HB3 PRO 27 2HB PRO 27 -13.111 -2.336 -8.965 210 HG2 PRO 27 1HG PRO 27 -13.066 0.655 -9.083 211 HG3 PRO 27 2HG PRO 27 -14.438 -0.433 -8.804 212 HD2 PRO 27 1HD PRO 27 -13.178 0.868 -6.791 213 HD3 PRO 27 2HD PRO 27 -13.908 -0.736 -6.581 214 HA PRO 28 HA PRO 28 -7.564 -0.224 -9.534 215 HB2 PRO 28 1HB PRO 28 -6.907 -1.844 -11.611 216 HB3 PRO 28 2HB PRO 28 -6.619 -2.281 -9.922 217 HG2 PRO 28 1HG PRO 28 -8.849 -3.109 -11.740 218 HG3 PRO 28 2HG PRO 28 -7.917 -4.090 -10.594 219 HD2 PRO 28 1HD PRO 28 -10.392 -3.149 -10.028 220 HD3 PRO 28 2HD PRO 28 -9.146 -3.370 -8.782 221 H GLU 29 H GLU 29 -6.791 0.939 -11.404 222 HA GLU 29 HA GLU 29 -8.405 1.160 -13.759 223 HB2 GLU 29 1HB GLU 29 -8.983 3.556 -13.440 224 HB3 GLU 29 2HB GLU 29 -9.815 2.485 -12.322 225 HG2 GLU 29 1HG GLU 29 -7.763 3.075 -10.775 226 HG3 GLU 29 2HG GLU 29 -7.706 4.506 -11.803 227 H GLU 30 H GLU 30 -7.510 2.682 -15.317 228 HA GLU 30 HA GLU 30 -4.814 2.492 -15.691 229 HB2 GLU 30 1HB GLU 30 -6.589 3.336 -17.315 230 HB3 GLU 30 2HB GLU 30 -6.372 4.916 -16.575 231 HG2 GLU 30 1HG GLU 30 -5.019 4.962 -18.468 232 HG3 GLU 30 2HG GLU 30 -3.904 4.660 -17.137 233 H VAL 31 H VAL 31 -6.525 5.230 -14.200 234 HA VAL 31 HA VAL 31 -4.002 6.461 -13.441 235 HB VAL 31 HB VAL 31 -6.826 7.368 -12.864 236 HG11 VAL 31 1HG1 VAL 31 -5.769 8.692 -11.395 237 HG12 VAL 31 2HG1 VAL 31 -4.183 8.370 -12.099 238 HG13 VAL 31 3HG1 VAL 31 -5.239 9.584 -12.821 239 HG21 VAL 31 3HG2 VAL 31 -4.988 7.798 -15.168 240 HG22 VAL 31 1HG2 VAL 31 -6.737 7.570 -15.145 241 HG23 VAL 31 2HG2 VAL 31 -6.044 9.119 -14.665 242 H GLU 32 H GLU 32 -3.020 5.492 -11.767 243 HA GLU 32 HA GLU 32 -4.501 4.313 -9.598 244 HB2 GLU 32 1HB GLU 32 -2.332 3.713 -8.690 245 HB3 GLU 32 2HB GLU 32 -2.383 3.337 -10.407 246 HG2 GLU 32 1HG GLU 32 -1.295 5.973 -9.589 247 HG3 GLU 32 2HG GLU 32 -0.314 4.537 -9.300 248 H SER 33 H SER 33 -2.810 7.304 -10.213 249 HA SER 33 HA SER 33 -2.360 8.254 -7.662 250 HB2 SER 33 1HB SER 33 -2.746 10.554 -8.701 251 HB3 SER 33 2HB SER 33 -1.538 9.536 -9.485 252 HG SER 33 HG SER 33 -4.142 10.184 -10.339 253 H ARG 34 H ARG 34 -5.344 8.392 -9.566 254 HA ARG 34 HA ARG 34 -6.807 9.825 -7.569 255 HB2 ARG 34 1HB ARG 34 -8.670 9.630 -8.995 256 HB3 ARG 34 2HB ARG 34 -7.288 9.749 -10.076 257 HG2 ARG 34 1HG ARG 34 -7.357 7.437 -10.571 258 HG3 ARG 34 2HG ARG 34 -8.503 7.124 -9.266 259 HD2 ARG 34 1HD ARG 34 -9.012 8.687 -11.793 260 HD3 ARG 34 2HD ARG 34 -9.665 7.102 -11.379 261 HE ARG 34 HE ARG 34 -10.458 8.804 -9.360 262 HH11 ARG 34 1HH1 ARG 34 -10.886 8.576 -12.808 263 HH12 ARG 34 2HH1 ARG 34 -12.442 9.339 -12.797 264 HH21 ARG 34 1HH2 ARG 34 -12.505 9.810 -9.332 265 HH22 ARG 34 2HH2 ARG 34 -13.361 10.041 -10.819 266 H ARG 35 H ARG 35 -6.324 6.449 -8.379 267 HA ARG 35 HA ARG 35 -8.414 5.345 -6.862 268 HB2 ARG 35 1HB ARG 35 -7.253 3.995 -8.483 269 HB3 ARG 35 2HB ARG 35 -5.724 4.217 -7.643 270 HG2 ARG 35 1HG ARG 35 -6.791 3.032 -5.676 271 HG3 ARG 35 2HG ARG 35 -8.098 2.598 -6.779 272 HD2 ARG 35 1HD ARG 35 -6.628 1.362 -8.172 273 HD3 ARG 35 2HD ARG 35 -5.205 2.009 -7.357 274 HE ARG 35 HE ARG 35 -6.557 0.715 -5.385 275 HH11 ARG 35 1HH1 ARG 35 -5.389 -0.196 -8.535 276 HH12 ARG 35 2HH1 ARG 35 -5.132 -1.854 -8.105 277 HH21 ARG 35 1HH2 ARG 35 -6.224 -1.466 -4.806 278 HH22 ARG 35 2HH2 ARG 35 -5.608 -2.576 -5.983 279 H TRP 36 H TRP 36 -5.012 5.950 -6.022 280 HA TRP 36 HA TRP 36 -5.103 4.943 -3.413 281 HB2 TRP 36 1HB TRP 36 -3.391 7.276 -4.264 282 HB3 TRP 36 2HB TRP 36 -3.034 6.051 -3.050 283 HD1 TRP 36 HD TRP 36 -1.651 6.926 -6.115 284 HE1 TRP 36 1HE TRP 36 -0.825 4.923 -7.504 285 HE3 TRP 36 3HE TRP 36 -4.207 3.186 -3.745 286 HZ2 TRP 36 2HZ TRP 36 -1.207 2.127 -7.585 287 HZ3 TRP 36 3HZ TRP 36 -3.922 0.875 -4.540 288 HH2 TRP 36 HH TRP 36 -2.453 0.359 -6.421 289 H GLN 37 H GLN 37 -5.656 8.235 -4.624 290 HA GLN 37 HA GLN 37 -5.945 9.626 -2.288 291 HB2 GLN 37 1HB GLN 37 -6.184 10.426 -4.726 292 HB3 GLN 37 2HB GLN 37 -7.883 10.009 -4.555 293 HG2 GLN 37 1HG GLN 37 -7.406 12.396 -4.156 294 HG3 GLN 37 2HG GLN 37 -8.158 11.590 -2.780 295 HE21 GLN 37 1HE2 GLN 37 -7.197 11.719 -0.863 296 HE22 GLN 37 2HE2 GLN 37 -5.611 12.343 -0.580 297 H LYS 38 H LYS 38 -8.459 7.734 -3.940 298 HA LYS 38 HA LYS 38 -10.543 8.242 -2.149 299 HB2 LYS 38 1HB LYS 38 -10.011 5.803 -3.853 300 HB3 LYS 38 2HB LYS 38 -11.528 6.120 -3.022 301 HG2 LYS 38 1HG LYS 38 -12.009 7.976 -4.382 302 HG3 LYS 38 2HG LYS 38 -10.357 8.048 -5.002 303 HD2 LYS 38 1HD LYS 38 -10.802 5.726 -5.966 304 HD3 LYS 38 2HD LYS 38 -12.505 6.036 -5.620 305 HE2 LYS 38 1HE LYS 38 -10.809 7.928 -7.230 306 HE3 LYS 38 2HE LYS 38 -11.684 6.585 -7.965 307 HZ1 LYS 38 3HZ LYS 38 -13.172 8.396 -6.212 308 HZ2 LYS 38 1HZ LYS 38 -13.687 7.562 -7.591 309 HZ3 LYS 38 2HZ LYS 38 -12.749 8.959 -7.750 310 H ILE 39 H ILE 39 -8.235 5.534 -2.224 311 HA ILE 39 HA ILE 39 -9.182 4.178 0.025 312 HB ILE 39 HB ILE 39 -6.430 4.318 -1.190 313 HG12 ILE 39 1HG1 ILE 39 -8.279 1.949 -1.067 314 HG13 ILE 39 2HG1 ILE 39 -8.471 3.181 -2.309 315 HG21 ILE 39 1HG2 ILE 39 -5.974 2.267 0.228 316 HG22 ILE 39 2HG2 ILE 39 -5.979 3.817 1.069 317 HG23 ILE 39 3HG2 ILE 39 -7.373 2.744 1.190 318 HD11 ILE 39 3HD1 ILE 39 -6.081 2.771 -2.940 319 HD12 ILE 39 1HD1 ILE 39 -6.109 1.386 -1.849 320 HD13 ILE 39 2HD1 ILE 39 -7.187 1.432 -3.244 321 H ALA 40 H ALA 40 -6.494 6.512 -0.193 322 HA ALA 40 HA ALA 40 -5.697 6.624 2.415 323 HB1 ALA 40 3HB ALA 40 -4.928 8.875 1.999 324 HB2 ALA 40 1HB ALA 40 -4.663 7.885 0.564 325 HB3 ALA 40 2HB ALA 40 -6.010 9.023 0.615 326 H ASP 41 H ASP 41 -8.319 8.557 0.971 327 HA ASP 41 HA ASP 41 -9.141 10.091 3.032 328 HB2 ASP 41 1HB ASP 41 -10.216 9.767 0.716 329 HB3 ASP 41 2HB ASP 41 -11.170 8.498 1.479 330 H GLU 42 H GLU 42 -10.119 6.696 2.575 331 HA GLU 42 HA GLU 42 -11.664 6.468 4.895 332 HB2 GLU 42 1HB GLU 42 -10.291 4.555 3.074 333 HB3 GLU 42 2HB GLU 42 -10.827 3.949 4.635 334 HG2 GLU 42 1HG GLU 42 -12.496 5.135 2.442 335 HG3 GLU 42 2HG GLU 42 -12.554 3.498 3.092 336 H LEU 43 H LEU 43 -8.295 5.414 4.374 337 HA LEU 43 HA LEU 43 -7.690 4.558 6.910 338 HB2 LEU 43 1HB LEU 43 -5.961 6.006 4.917 339 HB3 LEU 43 2HB LEU 43 -5.334 5.276 6.393 340 HG LEU 43 HG LEU 43 -6.882 3.562 4.512 341 HD11 LEU 43 1HD1 LEU 43 -4.621 3.073 3.409 342 HD12 LEU 43 2HD1 LEU 43 -4.133 4.653 4.021 343 HD13 LEU 43 3HD1 LEU 43 -5.492 4.522 2.905 344 HD21 LEU 43 3HD2 LEU 43 -6.199 2.084 6.026 345 HD22 LEU 43 1HD2 LEU 43 -5.135 3.266 6.790 346 HD23 LEU 43 2HD2 LEU 43 -4.559 2.318 5.418 347 H GLY 44 H GLY 44 -6.977 7.835 5.673 348 HA2 GLY 44 1HA GLY 44 -7.420 9.847 6.830 349 HA3 GLY 44 2HA GLY 44 -7.636 8.921 8.308 350 H ASN 45 H ASN 45 -5.215 7.419 8.134 351 HA ASN 45 HA ASN 45 -3.398 9.428 9.147 352 HB2 ASN 45 1HB ASN 45 -2.843 6.474 8.870 353 HB3 ASN 45 2HB ASN 45 -2.098 7.618 9.983 354 HD21 ASN 45 1HD2 ASN 45 -2.988 5.420 11.097 355 HD22 ASN 45 2HD2 ASN 45 -4.466 5.676 11.954 356 H ARG 46 H ARG 46 -3.299 6.929 6.610 357 HA ARG 46 HA ARG 46 -0.851 8.026 5.523 358 HB2 ARG 46 1HB ARG 46 -2.609 5.697 4.791 359 HB3 ARG 46 2HB ARG 46 -1.301 6.223 3.740 360 HG2 ARG 46 1HG ARG 46 -0.975 5.380 6.612 361 HG3 ARG 46 2HG ARG 46 -0.662 4.359 5.207 362 HD2 ARG 46 1HD ARG 46 1.451 5.131 5.599 363 HD3 ARG 46 2HD ARG 46 0.871 6.391 4.511 364 HE ARG 46 HE ARG 46 0.904 7.885 6.260 365 HH11 ARG 46 1HH1 ARG 46 1.330 4.648 7.466 366 HH12 ARG 46 2HH1 ARG 46 1.758 5.160 9.065 367 HH21 ARG 46 1HH2 ARG 46 1.466 8.572 8.361 368 HH22 ARG 46 2HH2 ARG 46 1.834 7.392 9.573 369 H THR 47 H THR 47 -0.664 8.647 3.257 370 HA THR 47 HA THR 47 -3.121 9.937 2.261 371 HB THR 47 HB THR 47 -1.756 11.705 1.304 372 HG1 THR 47 1HG THR 47 0.157 10.179 1.165 373 HG21 THR 47 3HG2 THR 47 -1.307 11.134 4.224 374 HG22 THR 47 1HG2 THR 47 -2.481 12.225 3.489 375 HG23 THR 47 2HG2 THR 47 -0.765 12.630 3.464 376 H ALA 48 H ALA 48 -3.153 10.303 -0.104 377 HA ALA 48 HA ALA 48 -3.131 8.103 -1.628 378 HB1 ALA 48 3HB ALA 48 -2.426 9.751 -3.568 379 HB2 ALA 48 1HB ALA 48 -3.988 9.889 -2.760 380 HB3 ALA 48 2HB ALA 48 -2.661 10.959 -2.304 381 H LYS 49 H LYS 49 -0.345 10.338 -1.591 382 HA LYS 49 HA LYS 49 1.389 8.791 -3.103 383 HB2 LYS 49 1HB LYS 49 1.721 10.950 -1.084 384 HB3 LYS 49 2HB LYS 49 3.151 10.017 -1.506 385 HG2 LYS 49 1HG LYS 49 1.490 11.083 -3.721 386 HG3 LYS 49 2HG LYS 49 2.480 12.218 -2.800 387 HD2 LYS 49 1HD LYS 49 3.939 11.588 -4.471 388 HD3 LYS 49 2HD LYS 49 4.360 10.446 -3.193 389 HE2 LYS 49 1HE LYS 49 4.135 9.398 -5.431 390 HE3 LYS 49 2HE LYS 49 3.044 8.722 -4.222 391 HZ1 LYS 49 3HZ LYS 49 1.273 9.359 -5.385 392 HZ2 LYS 49 1HZ LYS 49 2.327 9.634 -6.680 393 HZ3 LYS 49 2HZ LYS 49 1.886 10.911 -5.664 394 H GLN 50 H GLN 50 1.634 9.128 0.439 395 HA GLN 50 HA GLN 50 3.380 7.137 1.000 396 HB2 GLN 50 1HB GLN 50 0.882 7.763 2.584 397 HB3 GLN 50 2HB GLN 50 2.290 6.904 3.196 398 HG2 GLN 50 1HG GLN 50 3.637 8.959 2.664 399 HG3 GLN 50 2HG GLN 50 2.109 9.782 2.358 400 HE21 GLN 50 1HE2 GLN 50 0.517 9.696 4.152 401 HE22 GLN 50 2HE2 GLN 50 1.119 9.824 5.767 402 H VAL 51 H VAL 51 0.001 6.761 0.146 403 HA VAL 51 HA VAL 51 -0.172 3.989 0.793 404 HB VAL 51 HB VAL 51 -1.878 5.663 -1.055 405 HG11 VAL 51 1HG1 VAL 51 -1.762 2.931 -0.996 406 HG12 VAL 51 2HG1 VAL 51 -3.059 3.277 0.150 407 HG13 VAL 51 3HG1 VAL 51 -3.157 3.881 -1.504 408 HG21 VAL 51 3HG2 VAL 51 -3.275 4.940 1.267 409 HG22 VAL 51 1HG2 VAL 51 -1.687 5.489 1.805 410 HG23 VAL 51 2HG2 VAL 51 -2.696 6.544 0.816 411 H ALA 52 H ALA 52 0.535 5.804 -2.153 412 HA ALA 52 HA ALA 52 0.469 3.750 -4.016 413 HB1 ALA 52 3HB ALA 52 1.669 6.407 -3.847 414 HB2 ALA 52 1HB ALA 52 2.544 5.297 -4.902 415 HB3 ALA 52 2HB ALA 52 0.834 5.620 -5.186 416 H SER 53 H SER 53 3.238 4.868 -2.074 417 HA SER 53 HA SER 53 5.112 3.036 -3.046 418 HB2 SER 53 1HB SER 53 4.882 4.555 -0.458 419 HB3 SER 53 2HB SER 53 6.213 3.432 -0.738 420 HG SER 53 HG SER 53 7.070 4.781 -2.124 421 H GLN 54 H GLN 54 2.851 2.800 -0.334 422 HA GLN 54 HA GLN 54 3.735 0.373 0.727 423 HB2 GLN 54 1HB GLN 54 1.984 2.049 1.633 424 HB3 GLN 54 2HB GLN 54 0.830 1.141 0.665 425 HG2 GLN 54 1HG GLN 54 0.734 0.285 2.868 426 HG3 GLN 54 2HG GLN 54 1.557 -0.917 1.876 427 HE21 GLN 54 1HE2 GLN 54 1.753 -0.903 4.628 428 HE22 GLN 54 2HE2 GLN 54 3.371 -0.500 5.081 429 H VAL 55 H VAL 55 1.196 0.989 -1.690 430 HA VAL 55 HA VAL 55 0.337 -1.588 -2.140 431 HB VAL 55 HB VAL 55 0.694 0.586 -4.207 432 HG11 VAL 55 1HG1 VAL 55 0.097 -0.985 -5.672 433 HG12 VAL 55 2HG1 VAL 55 -0.286 -2.140 -4.393 434 HG13 VAL 55 3HG1 VAL 55 -1.491 -0.958 -4.905 435 HG21 VAL 55 3HG2 VAL 55 -2.004 0.132 -3.324 436 HG22 VAL 55 1HG2 VAL 55 -0.959 0.492 -1.949 437 HG23 VAL 55 2HG2 VAL 55 -1.056 1.619 -3.303 438 H GLN 56 H GLN 56 3.252 -0.012 -3.293 439 HA GLN 56 HA GLN 56 4.000 -1.878 -5.250 440 HB2 GLN 56 1HB GLN 56 5.756 -0.153 -3.496 441 HB3 GLN 56 2HB GLN 56 6.283 -0.982 -4.954 442 HG2 GLN 56 1HG GLN 56 4.187 1.174 -4.821 443 HG3 GLN 56 2HG GLN 56 5.854 1.383 -5.355 444 HE21 GLN 56 1HE2 GLN 56 6.114 1.386 -7.459 445 HE22 GLN 56 2HE2 GLN 56 5.119 0.577 -8.616 446 H LYS 57 H LYS 57 4.782 -1.702 -1.793 447 HA LYS 57 HA LYS 57 6.239 -4.200 -1.890 448 HB2 LYS 57 1HB LYS 57 5.478 -2.396 0.412 449 HB3 LYS 57 2HB LYS 57 6.450 -3.853 0.578 450 HG2 LYS 57 1HG LYS 57 8.162 -2.896 -0.859 451 HG3 LYS 57 2HG LYS 57 7.180 -1.445 -1.078 452 HD2 LYS 57 1HD LYS 57 7.267 -1.127 1.410 453 HD3 LYS 57 2HD LYS 57 8.439 -2.445 1.473 454 HE2 LYS 57 1HE LYS 57 10.005 -1.221 0.168 455 HE3 LYS 57 2HE LYS 57 8.807 0.010 -0.231 456 HZ1 LYS 57 3HZ LYS 57 10.501 -0.197 2.062 457 HZ2 LYS 57 1HZ LYS 57 8.877 -0.004 2.496 458 HZ3 LYS 57 2HZ LYS 57 9.623 1.131 1.488 459 H TYR 58 H TYR 58 3.322 -4.064 -2.534 460 HA TYR 58 HA TYR 58 2.402 -6.039 -0.550 461 HB2 TYR 58 1HB TYR 58 1.010 -3.704 -1.755 462 HB3 TYR 58 2HB TYR 58 0.060 -5.165 -1.509 463 HD1 TYR 58 1HD TYR 58 2.784 -3.712 0.582 464 HD2 TYR 58 2HD TYR 58 -1.345 -4.697 0.285 465 HE1 TYR 58 1HE TYR 58 2.475 -3.106 2.946 466 HE2 TYR 58 2HE TYR 58 -1.665 -4.093 2.648 467 HH TYR 58 HH TYR 58 0.879 -2.587 4.521 468 H PHE 59 H PHE 59 2.477 -5.050 -3.919 469 HA PHE 59 HA PHE 59 1.429 -7.687 -4.695 470 HB2 PHE 59 1HB PHE 59 1.561 -5.094 -6.243 471 HB3 PHE 59 2HB PHE 59 1.035 -6.628 -6.928 472 HD1 PHE 59 2HD PHE 59 0.310 -4.684 -3.822 473 HD2 PHE 59 1HD PHE 59 -1.228 -6.798 -7.180 474 HE1 PHE 59 2HE PHE 59 -1.982 -4.238 -3.048 475 HE2 PHE 59 1HE PHE 59 -3.523 -6.355 -6.412 476 HZ PHE 59 HZ PHE 59 -3.903 -5.074 -4.343 477 H ILE 60 H ILE 60 3.965 -5.321 -5.428 478 HA ILE 60 HA ILE 60 5.359 -6.999 -7.253 479 HB ILE 60 HB ILE 60 6.380 -4.625 -5.689 480 HG12 ILE 60 1HG1 ILE 60 5.398 -4.745 -8.546 481 HG13 ILE 60 2HG1 ILE 60 4.409 -4.206 -7.193 482 HG21 ILE 60 1HG2 ILE 60 7.864 -6.479 -7.054 483 HG22 ILE 60 2HG2 ILE 60 7.601 -5.230 -8.270 484 HG23 ILE 60 3HG2 ILE 60 8.352 -4.816 -6.728 485 HD11 ILE 60 3HD1 ILE 60 5.144 -2.176 -7.746 486 HD12 ILE 60 1HD1 ILE 60 6.619 -2.652 -6.906 487 HD13 ILE 60 2HD1 ILE 60 6.512 -2.812 -8.659 488 H LYS 61 H LYS 61 6.172 -5.976 -3.931 489 HA LYS 61 HA LYS 61 8.404 -7.315 -3.364 490 HB2 LYS 61 1HB LYS 61 7.138 -6.062 -1.683 491 HB3 LYS 61 2HB LYS 61 5.935 -7.343 -1.618 492 HG2 LYS 61 1HG LYS 61 7.810 -8.882 -0.897 493 HG3 LYS 61 2HG LYS 61 8.786 -7.426 -0.683 494 HD2 LYS 61 1HD LYS 61 7.941 -7.622 1.428 495 HD3 LYS 61 2HD LYS 61 6.661 -6.652 0.697 496 HE2 LYS 61 1HE LYS 61 5.588 -8.399 1.883 497 HE3 LYS 61 2HE LYS 61 5.480 -8.816 0.174 498 HZ1 LYS 61 3HZ LYS 61 6.749 -10.230 2.302 499 HZ2 LYS 61 1HZ LYS 61 7.815 -9.960 1.016 500 HZ3 LYS 61 2HZ LYS 61 6.350 -10.761 0.746 501 H LEU 62 H LEU 62 5.267 -8.819 -3.842 502 HA LEU 62 HA LEU 62 5.623 -11.350 -2.895 503 HB2 LEU 62 1HB LEU 62 4.319 -10.444 -5.450 504 HB3 LEU 62 2HB LEU 62 4.222 -12.101 -4.857 505 HG LEU 62 HG LEU 62 3.220 -9.699 -3.333 506 HD11 LEU 62 1HD1 LEU 62 1.978 -9.987 -5.424 507 HD12 LEU 62 2HD1 LEU 62 0.990 -10.376 -4.016 508 HD13 LEU 62 3HD1 LEU 62 1.667 -11.672 -5.003 509 HD21 LEU 62 3HD2 LEU 62 3.111 -12.666 -2.910 510 HD22 LEU 62 1HD2 LEU 62 1.908 -11.592 -2.196 511 HD23 LEU 62 2HD2 LEU 62 3.613 -11.400 -1.788 512 H THR 63 H THR 63 6.547 -10.259 -6.162 513 HA THR 63 HA THR 63 7.762 -12.625 -6.997 514 HB THR 63 HB THR 63 7.270 -10.870 -8.588 515 HG1 THR 63 1HG THR 63 10.044 -11.455 -8.317 516 HG21 THR 63 3HG2 THR 63 9.377 -9.039 -8.277 517 HG22 THR 63 1HG2 THR 63 8.651 -9.222 -6.681 518 HG23 THR 63 2HG2 THR 63 7.654 -8.741 -8.054 519 H LYS 64 H LYS 64 8.968 -10.030 -4.990 520 HA LYS 64 HA LYS 64 11.127 -11.639 -4.045 521 HB2 LYS 64 1HB LYS 64 11.674 -9.425 -5.991 522 HB3 LYS 64 2HB LYS 64 12.842 -9.790 -4.728 523 HG2 LYS 64 1HG LYS 64 12.647 -12.223 -5.602 524 HG3 LYS 64 2HG LYS 64 11.982 -11.461 -7.048 525 HD2 LYS 64 1HD LYS 64 14.588 -10.582 -5.835 526 HD3 LYS 64 2HD LYS 64 14.497 -11.900 -7.005 527 HE2 LYS 64 1HE LYS 64 13.409 -9.134 -7.499 528 HE3 LYS 64 2HE LYS 64 15.023 -9.653 -7.981 529 HZ1 LYS 64 3HZ LYS 64 14.025 -11.367 -9.356 530 HZ2 LYS 64 1HZ LYS 64 13.445 -9.841 -9.801 531 HZ3 LYS 64 2HZ LYS 64 12.474 -10.880 -8.886 532 H ALA 65 H ALA 65 11.843 -10.952 -2.078 533 HA ALA 65 HA ALA 65 10.421 -8.706 -0.902 534 HB1 ALA 65 3HB ALA 65 10.332 -10.447 0.580 535 HB2 ALA 65 1HB ALA 65 11.941 -11.035 0.157 536 HB3 ALA 65 2HB ALA 65 11.763 -9.606 1.176 537 H GLY 66 H GLY 66 13.766 -9.734 -1.485 538 HA2 GLY 66 1HA GLY 66 14.876 -7.340 -0.330 539 HA3 GLY 66 2HA GLY 66 15.758 -8.589 -1.195 540 H ILE 67 H ILE 67 13.099 -6.402 -2.114 541 HA ILE 67 HA ILE 67 14.528 -5.792 -4.587 542 HB ILE 67 HB ILE 67 11.723 -5.073 -3.730 543 HG12 ILE 67 1HG1 ILE 67 12.609 -7.058 -5.827 544 HG13 ILE 67 2HG1 ILE 67 12.237 -7.514 -4.169 545 HG21 ILE 67 1HG2 ILE 67 11.370 -4.070 -5.778 546 HG22 ILE 67 2HG2 ILE 67 13.021 -3.572 -5.410 547 HG23 ILE 67 3HG2 ILE 67 12.730 -4.898 -6.536 548 HD11 ILE 67 3HD1 ILE 67 9.959 -6.648 -4.468 549 HD12 ILE 67 1HD1 ILE 67 10.343 -6.269 -6.146 550 HD13 ILE 67 2HD1 ILE 67 10.347 -7.945 -5.597 551 HA PRO 68 HA PRO 68 15.955 -1.890 -3.103 552 HB2 PRO 68 1HB PRO 68 16.471 -0.730 -5.503 553 HB3 PRO 68 2HB PRO 68 17.497 -1.988 -4.803 554 HG2 PRO 68 1HG PRO 68 15.370 -2.226 -6.896 555 HG3 PRO 68 2HG PRO 68 16.975 -2.978 -6.841 556 HD2 PRO 68 1HD PRO 68 14.717 -4.312 -6.168 557 HD3 PRO 68 2HD PRO 68 16.284 -4.642 -5.403 558 H VAL 69 H VAL 69 14.812 -0.214 -2.382 559 HA VAL 69 HA VAL 69 12.437 0.636 -3.885 560 HB VAL 69 HB VAL 69 12.072 -0.057 -1.545 561 HG11 VAL 69 1HG1 VAL 69 14.423 1.353 -1.061 562 HG12 VAL 69 2HG1 VAL 69 13.155 2.304 -0.284 563 HG13 VAL 69 3HG1 VAL 69 13.368 0.604 0.138 564 HG21 VAL 69 3HG2 VAL 69 10.346 1.326 -1.845 565 HG22 VAL 69 1HG2 VAL 69 11.278 2.520 -0.939 566 HG23 VAL 69 2HG2 VAL 69 11.340 2.504 -2.702 567 H SER 70 H SER 70 12.099 2.757 -4.458 568 HA SER 70 HA SER 70 14.270 4.321 -5.174 569 HB2 SER 70 1HB SER 70 12.712 6.024 -5.753 570 HB3 SER 70 2HB SER 70 11.867 4.496 -6.004 571 HG SER 70 HG SER 70 10.521 5.875 -4.873 572 H GLY 71 H GLY 71 12.221 4.542 -2.287 573 HA2 GLY 71 1HA GLY 71 12.768 5.357 -0.190 574 HA3 GLY 71 2HA GLY 71 14.376 5.730 -0.793 575 HA PRO 72 HA PRO 72 11.386 9.508 -0.598 576 HB2 PRO 72 1HB PRO 72 11.733 10.341 1.963 577 HB3 PRO 72 2HB PRO 72 10.437 9.241 1.477 578 HG2 PRO 72 1HG PRO 72 13.074 8.616 2.748 579 HG3 PRO 72 2HG PRO 72 11.471 7.951 3.113 580 HD2 PRO 72 1HD PRO 72 13.290 6.625 1.608 581 HD3 PRO 72 2HD PRO 72 11.541 6.478 1.342 582 H SER 73 H SER 73 12.099 11.786 -0.005 583 HA SER 73 HA SER 73 14.940 12.032 -0.635 584 HB2 SER 73 1HB SER 73 14.357 14.432 -1.070 585 HB3 SER 73 2HB SER 73 13.463 13.289 -2.071 586 HG SER 73 HG SER 73 12.535 15.091 -0.280 587 H SER 74 H SER 74 12.608 13.573 1.581 588 HA SER 74 HA SER 74 14.809 13.892 3.513 589 HB2 SER 74 1HB SER 74 14.221 16.069 2.510 590 HB3 SER 74 2HB SER 74 12.547 15.846 3.019 591 HG SER 74 HG SER 74 14.769 15.910 4.784 592 H GLY 75 H GLY 75 13.981 14.227 5.785 593 HA2 GLY 75 1HA GLY 75 11.557 13.766 6.837 594 HA3 GLY 75 2HA GLY 75 12.032 12.149 6.339 Start of MODEL 3 1 H1 GLY 1 H GLY 1 23.064 -1.015 7.253 2 HA2 GLY 1 1HA GLY 1 22.075 -2.023 5.401 3 HA3 GLY 1 2HA GLY 1 20.498 -1.750 6.127 4 H SER 2 H SER 2 20.220 0.850 6.416 5 HA SER 2 HA SER 2 20.955 2.123 3.877 6 HB2 SER 2 1HB SER 2 18.730 2.783 3.376 7 HB3 SER 2 2HB SER 2 18.629 1.070 3.783 8 HG SER 2 HG SER 2 17.498 3.212 5.016 9 H SER 3 H SER 3 21.568 4.185 4.094 10 HA SER 3 HA SER 3 21.269 5.421 6.737 11 HB2 SER 3 1HB SER 3 23.554 5.086 5.556 12 HB3 SER 3 2HB SER 3 23.067 6.456 4.558 13 HG SER 3 HG SER 3 22.957 6.595 7.372 14 H GLY 4 H GLY 4 19.252 6.348 6.642 15 HA2 GLY 4 1HA GLY 4 18.935 8.901 5.699 16 HA3 GLY 4 2HA GLY 4 18.372 7.881 4.384 17 H SER 5 H SER 5 18.049 7.528 7.906 18 HA SER 5 HA SER 5 15.125 7.573 7.539 19 HB2 SER 5 1HB SER 5 16.275 5.315 8.110 20 HB3 SER 5 2HB SER 5 16.461 5.997 9.725 21 HG SER 5 HG SER 5 14.288 6.066 9.958 22 H SER 6 H SER 6 14.765 9.666 8.154 23 HA SER 6 HA SER 6 16.003 10.875 10.416 24 HB2 SER 6 1HB SER 6 14.247 12.652 10.072 25 HB3 SER 6 2HB SER 6 15.226 12.303 8.648 26 HG SER 6 HG SER 6 12.615 12.242 8.827 27 H GLY 7 H GLY 7 12.694 9.679 9.832 28 HA2 GLY 7 1HA GLY 7 12.153 8.288 12.037 29 HA3 GLY 7 2HA GLY 7 12.080 9.926 12.669 30 H ASN 8 H ASN 8 10.840 8.059 9.894 31 HA ASN 8 HA ASN 8 8.451 9.700 9.822 32 HB2 ASN 8 1HB ASN 8 9.480 9.007 7.712 33 HB3 ASN 8 2HB ASN 8 9.266 7.314 8.147 34 HD21 ASN 8 1HD2 ASN 8 7.729 6.463 6.960 35 HD22 ASN 8 2HD2 ASN 8 6.214 7.197 6.572 36 H GLN 9 H GLN 9 6.299 8.761 9.866 37 HA GLN 9 HA GLN 9 5.979 6.982 12.086 38 HB2 GLN 9 1HB GLN 9 4.459 8.925 11.495 39 HB3 GLN 9 2HB GLN 9 3.821 7.921 10.199 40 HG2 GLN 9 1HG GLN 9 2.318 7.693 11.984 41 HG3 GLN 9 2HG GLN 9 3.269 6.209 11.970 42 HE21 GLN 9 1HE2 GLN 9 2.048 6.554 14.212 43 HE22 GLN 9 2HE2 GLN 9 3.074 7.163 15.461 44 H LEU 10 H LEU 10 5.518 4.857 12.107 45 HA LEU 10 HA LEU 10 5.534 3.463 9.535 46 HB2 LEU 10 1HB LEU 10 6.239 2.751 12.327 47 HB3 LEU 10 2HB LEU 10 5.647 1.460 11.284 48 HG LEU 10 HG LEU 10 7.903 3.191 10.361 49 HD11 LEU 10 1HD1 LEU 10 8.633 2.556 12.549 50 HD12 LEU 10 2HD1 LEU 10 9.463 1.537 11.373 51 HD13 LEU 10 3HD1 LEU 10 8.107 0.891 12.296 52 HD21 LEU 10 3HD2 LEU 10 6.576 0.749 9.546 53 HD22 LEU 10 1HD2 LEU 10 8.319 0.530 9.705 54 HD23 LEU 10 2HD2 LEU 10 7.681 1.789 8.646 55 H TRP 11 H TRP 11 4.044 1.739 9.113 56 HA TRP 11 HA TRP 11 1.362 2.406 9.788 57 HB2 TRP 11 1HB TRP 11 2.548 0.038 8.333 58 HB3 TRP 11 2HB TRP 11 0.816 0.295 8.523 59 HD1 TRP 11 HD TRP 11 3.789 2.441 7.209 60 HE1 TRP 11 1HE TRP 11 2.998 3.652 5.080 61 HE3 TRP 11 3HE TRP 11 -1.023 0.722 7.039 62 HZ2 TRP 11 2HZ TRP 11 0.645 3.853 3.534 63 HZ3 TRP 11 3HZ TRP 11 -2.479 1.472 5.203 64 HH2 TRP 11 HH TRP 11 -1.661 3.005 3.488 65 H THR 12 H THR 12 -0.146 1.246 11.002 66 HA THR 12 HA THR 12 1.041 -0.556 13.007 67 HB THR 12 HB THR 12 0.135 1.494 13.982 68 HG1 THR 12 1HG THR 12 -0.176 -0.056 15.439 69 HG21 THR 12 3HG2 THR 12 -1.613 1.746 12.120 70 HG22 THR 12 1HG2 THR 12 -2.092 2.198 13.755 71 HG23 THR 12 2HG2 THR 12 -2.605 0.651 13.081 72 H VAL 13 H VAL 13 -0.200 -2.362 13.734 73 HA VAL 13 HA VAL 13 -1.149 -4.088 11.908 74 HB VAL 13 HB VAL 13 -0.861 -4.720 14.241 75 HG11 VAL 13 1HG1 VAL 13 -3.505 -3.456 14.885 76 HG12 VAL 13 2HG1 VAL 13 -2.267 -4.059 15.989 77 HG13 VAL 13 3HG1 VAL 13 -1.988 -2.576 15.074 78 HG21 VAL 13 3HG2 VAL 13 -2.767 -6.213 14.464 79 HG22 VAL 13 1HG2 VAL 13 -3.678 -5.250 13.301 80 HG23 VAL 13 2HG2 VAL 13 -2.243 -6.134 12.781 81 H GLU 14 H GLU 14 -3.133 -1.668 13.584 82 HA GLU 14 HA GLU 14 -5.609 -2.359 12.509 83 HB2 GLU 14 1HB GLU 14 -4.439 0.116 13.676 84 HB3 GLU 14 2HB GLU 14 -5.949 0.272 12.790 85 HG2 GLU 14 1HG GLU 14 -5.421 -1.427 15.212 86 HG3 GLU 14 2HG GLU 14 -6.458 -0.006 15.099 87 H GLU 15 H GLU 15 -3.227 0.001 11.318 88 HA GLU 15 HA GLU 15 -4.704 0.726 9.015 89 HB2 GLU 15 1HB GLU 15 -1.770 0.963 9.682 90 HB3 GLU 15 2HB GLU 15 -2.479 1.615 8.212 91 HG2 GLU 15 1HG GLU 15 -3.980 3.004 9.591 92 HG3 GLU 15 2HG GLU 15 -3.167 2.399 11.034 93 H GLN 16 H GLN 16 -1.828 -1.355 9.367 94 HA GLN 16 HA GLN 16 -1.383 -2.216 6.867 95 HB2 GLN 16 1HB GLN 16 -1.412 -3.763 9.441 96 HB3 GLN 16 2HB GLN 16 -0.986 -4.550 7.927 97 HG2 GLN 16 1HG GLN 16 0.780 -2.815 7.613 98 HG3 GLN 16 2HG GLN 16 0.418 -2.239 9.239 99 HE21 GLN 16 1HE2 GLN 16 1.910 -4.691 7.337 100 HE22 GLN 16 2HE2 GLN 16 2.653 -5.552 8.637 101 H LYS 17 H LYS 17 -3.757 -3.815 8.998 102 HA LYS 17 HA LYS 17 -4.830 -5.490 7.014 103 HB2 LYS 17 1HB LYS 17 -6.679 -5.854 8.566 104 HB3 LYS 17 2HB LYS 17 -5.140 -5.888 9.416 105 HG2 LYS 17 1HG LYS 17 -5.507 -3.639 10.235 106 HG3 LYS 17 2HG LYS 17 -7.012 -3.531 9.319 107 HD2 LYS 17 1HD LYS 17 -7.792 -4.092 11.415 108 HD3 LYS 17 2HD LYS 17 -7.645 -5.682 10.661 109 HE2 LYS 17 1HE LYS 17 -5.315 -4.571 12.150 110 HE3 LYS 17 2HE LYS 17 -6.678 -5.215 13.065 111 HZ1 LYS 17 3HZ LYS 17 -6.172 -7.308 12.496 112 HZ2 LYS 17 1HZ LYS 17 -4.634 -6.688 12.160 113 HZ3 LYS 17 2HZ LYS 17 -5.751 -6.904 10.908 114 H LYS 18 H LYS 18 -5.803 -2.285 8.158 115 HA LYS 18 HA LYS 18 -8.194 -1.993 6.795 116 HB2 LYS 18 1HB LYS 18 -6.856 -0.400 8.434 117 HB3 LYS 18 2HB LYS 18 -6.325 0.332 6.925 118 HG2 LYS 18 1HG LYS 18 -8.453 1.043 6.368 119 HG3 LYS 18 2HG LYS 18 -9.233 -0.132 7.428 120 HD2 LYS 18 1HD LYS 18 -8.719 1.102 9.357 121 HD3 LYS 18 2HD LYS 18 -7.508 2.073 8.517 122 HE2 LYS 18 1HE LYS 18 -9.456 2.919 7.086 123 HE3 LYS 18 2HE LYS 18 -10.501 2.222 8.323 124 HZ1 LYS 18 3HZ LYS 18 -10.237 4.098 9.448 125 HZ2 LYS 18 1HZ LYS 18 -9.064 4.666 8.369 126 HZ3 LYS 18 2HZ LYS 18 -8.610 3.698 9.680 127 H LEU 19 H LEU 19 -4.991 -0.882 5.675 128 HA LEU 19 HA LEU 19 -5.694 -0.043 3.150 129 HB2 LEU 19 1HB LEU 19 -3.517 0.429 3.840 130 HB3 LEU 19 2HB LEU 19 -3.184 -1.254 4.245 131 HG LEU 19 HG LEU 19 -3.204 -1.767 1.799 132 HD11 LEU 19 1HD1 LEU 19 -3.424 1.228 1.614 133 HD12 LEU 19 2HD1 LEU 19 -4.499 0.016 0.918 134 HD13 LEU 19 3HD1 LEU 19 -2.862 0.207 0.290 135 HD21 LEU 19 3HD2 LEU 19 -1.034 -1.673 2.357 136 HD22 LEU 19 1HD2 LEU 19 -1.227 -0.171 3.260 137 HD23 LEU 19 2HD2 LEU 19 -1.050 -0.128 1.506 138 H GLU 20 H GLU 20 -4.768 -3.315 4.172 139 HA GLU 20 HA GLU 20 -4.765 -4.586 1.718 140 HB2 GLU 20 1HB GLU 20 -5.508 -5.548 4.470 141 HB3 GLU 20 2HB GLU 20 -5.551 -6.626 3.082 142 HG2 GLU 20 1HG GLU 20 -3.090 -5.052 3.720 143 HG3 GLU 20 2HG GLU 20 -3.443 -6.564 4.554 144 H GLN 21 H GLN 21 -7.519 -4.305 3.968 145 HA GLN 21 HA GLN 21 -9.421 -5.506 2.308 146 HB2 GLN 21 1HB GLN 21 -9.533 -3.669 4.653 147 HB3 GLN 21 2HB GLN 21 -11.002 -3.905 3.716 148 HG2 GLN 21 1HG GLN 21 -10.519 -6.420 4.019 149 HG3 GLN 21 2HG GLN 21 -9.447 -5.893 5.316 150 HE21 GLN 21 1HE2 GLN 21 -12.739 -6.106 4.222 151 HE22 GLN 21 2HE2 GLN 21 -13.481 -5.777 5.747 152 H LEU 22 H LEU 22 -8.813 -2.033 2.845 153 HA LEU 22 HA LEU 22 -10.632 -0.956 1.104 154 HB2 LEU 22 1HB LEU 22 -7.842 -0.081 1.795 155 HB3 LEU 22 2HB LEU 22 -8.901 0.882 0.766 156 HG LEU 22 HG LEU 22 -9.884 0.066 3.458 157 HD11 LEU 22 1HD1 LEU 22 -7.649 1.948 2.913 158 HD12 LEU 22 2HD1 LEU 22 -7.929 0.891 4.297 159 HD13 LEU 22 3HD1 LEU 22 -8.842 2.391 4.134 160 HD21 LEU 22 3HD2 LEU 22 -10.500 2.031 1.375 161 HD22 LEU 22 1HD2 LEU 22 -10.530 2.676 3.017 162 HD23 LEU 22 2HD2 LEU 22 -11.545 1.297 2.593 163 H LEU 23 H LEU 23 -7.324 -2.004 0.317 164 HA LEU 23 HA LEU 23 -7.074 -1.329 -2.285 165 HB2 LEU 23 1HB LEU 23 -6.315 -3.857 -0.864 166 HB3 LEU 23 2HB LEU 23 -5.939 -3.627 -2.571 167 HG LEU 23 HG LEU 23 -5.041 -1.649 -0.499 168 HD11 LEU 23 1HD1 LEU 23 -4.072 -4.380 -0.940 169 HD12 LEU 23 2HD1 LEU 23 -3.840 -3.297 0.431 170 HD13 LEU 23 3HD1 LEU 23 -2.824 -3.135 -1.001 171 HD21 LEU 23 3HD2 LEU 23 -4.134 -0.640 -2.253 172 HD22 LEU 23 1HD2 LEU 23 -4.863 -1.847 -3.312 173 HD23 LEU 23 2HD2 LEU 23 -3.243 -2.106 -2.664 174 H ILE 24 H ILE 24 -8.756 -4.250 -1.137 175 HA ILE 24 HA ILE 24 -9.642 -5.016 -3.733 176 HB ILE 24 HB ILE 24 -10.689 -5.848 -1.024 177 HG12 ILE 24 1HG1 ILE 24 -9.346 -7.988 -1.893 178 HG13 ILE 24 2HG1 ILE 24 -8.430 -6.749 -2.743 179 HG21 ILE 24 1HG2 ILE 24 -11.001 -7.706 -3.247 180 HG22 ILE 24 2HG2 ILE 24 -12.162 -7.200 -2.021 181 HG23 ILE 24 3HG2 ILE 24 -11.907 -6.208 -3.457 182 HD11 ILE 24 3HD1 ILE 24 -8.799 -5.957 -0.026 183 HD12 ILE 24 1HD1 ILE 24 -8.147 -7.594 -0.086 184 HD13 ILE 24 2HD1 ILE 24 -7.304 -6.278 -0.904 185 H LYS 25 H LYS 25 -11.213 -3.401 -0.989 186 HA LYS 25 HA LYS 25 -13.792 -3.201 -1.831 187 HB2 LYS 25 1HB LYS 25 -13.007 -2.285 0.295 188 HB3 LYS 25 2HB LYS 25 -12.144 -1.010 -0.555 189 HG2 LYS 25 1HG LYS 25 -14.363 -0.253 -1.459 190 HG3 LYS 25 2HG LYS 25 -15.118 -1.394 -0.343 191 HD2 LYS 25 1HD LYS 25 -14.238 -0.248 1.549 192 HD3 LYS 25 2HD LYS 25 -13.194 0.751 0.536 193 HE2 LYS 25 1HE LYS 25 -15.070 1.916 -0.371 194 HE3 LYS 25 2HE LYS 25 -16.202 0.793 0.381 195 HZ1 LYS 25 3HZ LYS 25 -15.070 1.616 2.552 196 HZ2 LYS 25 1HZ LYS 25 -16.270 2.557 1.820 197 HZ3 LYS 25 2HZ LYS 25 -14.639 2.954 1.612 198 H TYR 26 H TYR 26 -11.099 -1.127 -2.846 199 HA TYR 26 HA TYR 26 -12.833 0.131 -4.843 200 HB2 TYR 26 1HB TYR 26 -10.072 0.831 -3.837 201 HB3 TYR 26 2HB TYR 26 -10.861 1.668 -5.169 202 HD1 TYR 26 1HD TYR 26 -12.891 3.021 -4.751 203 HD2 TYR 26 2HD TYR 26 -10.692 1.253 -1.567 204 HE1 TYR 26 1HE TYR 26 -14.013 4.517 -3.153 205 HE2 TYR 26 2HE TYR 26 -11.808 2.743 0.040 206 HH TYR 26 HH TYR 26 -14.153 4.036 0.029 207 HA PRO 27 HA PRO 27 -11.152 -2.605 -7.915 208 HB2 PRO 27 1HB PRO 27 -12.361 -1.433 -10.045 209 HB3 PRO 27 2HB PRO 27 -13.217 -2.490 -8.915 210 HG2 PRO 27 1HG PRO 27 -13.142 0.501 -9.026 211 HG3 PRO 27 2HG PRO 27 -14.525 -0.574 -8.749 212 HD2 PRO 27 1HD PRO 27 -13.253 0.710 -6.733 213 HD3 PRO 27 2HD PRO 27 -13.998 -0.888 -6.527 214 HA PRO 28 HA PRO 28 -7.661 -0.461 -9.535 215 HB2 PRO 28 1HB PRO 28 -7.114 -2.008 -11.697 216 HB3 PRO 28 2HB PRO 28 -6.796 -2.529 -10.038 217 HG2 PRO 28 1HG PRO 28 -9.100 -3.202 -11.827 218 HG3 PRO 28 2HG PRO 28 -8.172 -4.263 -10.751 219 HD2 PRO 28 1HD PRO 28 -10.598 -3.268 -10.076 220 HD3 PRO 28 2HD PRO 28 -9.328 -3.585 -8.876 221 H GLU 29 H GLU 29 -6.985 0.912 -11.220 222 HA GLU 29 HA GLU 29 -8.702 1.269 -13.532 223 HB2 GLU 29 1HB GLU 29 -9.060 3.668 -13.097 224 HB3 GLU 29 2HB GLU 29 -9.826 2.654 -11.882 225 HG2 GLU 29 1HG GLU 29 -7.821 3.053 -10.429 226 HG3 GLU 29 2HG GLU 29 -7.297 4.252 -11.610 227 H GLU 30 H GLU 30 -7.807 2.871 -15.063 228 HA GLU 30 HA GLU 30 -5.122 2.416 -15.604 229 HB2 GLU 30 1HB GLU 30 -6.775 3.189 -17.271 230 HB3 GLU 30 2HB GLU 30 -6.793 4.770 -16.503 231 HG2 GLU 30 1HG GLU 30 -4.279 4.818 -16.966 232 HG3 GLU 30 2HG GLU 30 -4.588 3.468 -18.056 233 H VAL 31 H VAL 31 -6.639 5.274 -14.130 234 HA VAL 31 HA VAL 31 -4.032 6.426 -13.553 235 HB VAL 31 HB VAL 31 -6.794 7.458 -12.891 236 HG11 VAL 31 1HG1 VAL 31 -5.072 8.322 -11.383 237 HG12 VAL 31 2HG1 VAL 31 -4.115 8.842 -12.772 238 HG13 VAL 31 3HG1 VAL 31 -5.683 9.585 -12.452 239 HG21 VAL 31 3HG2 VAL 31 -6.829 8.584 -14.865 240 HG22 VAL 31 1HG2 VAL 31 -5.074 8.743 -14.932 241 HG23 VAL 31 2HG2 VAL 31 -5.839 7.215 -15.369 242 H GLU 32 H GLU 32 -3.259 4.843 -12.074 243 HA GLU 32 HA GLU 32 -4.529 3.924 -9.794 244 HB2 GLU 32 1HB GLU 32 -2.305 3.465 -8.899 245 HB3 GLU 32 2HB GLU 32 -2.389 3.039 -10.602 246 HG2 GLU 32 1HG GLU 32 -1.360 5.717 -9.781 247 HG3 GLU 32 2HG GLU 32 -0.320 4.297 -9.689 248 H SER 33 H SER 33 -2.892 6.973 -10.361 249 HA SER 33 HA SER 33 -2.428 7.976 -7.888 250 HB2 SER 33 1HB SER 33 -1.934 9.353 -9.762 251 HB3 SER 33 2HB SER 33 -3.614 9.350 -10.300 252 HG SER 33 HG SER 33 -2.568 11.203 -8.932 253 H ARG 34 H ARG 34 -5.574 8.194 -9.553 254 HA ARG 34 HA ARG 34 -6.994 9.361 -7.454 255 HB2 ARG 34 1HB ARG 34 -8.054 7.452 -9.546 256 HB3 ARG 34 2HB ARG 34 -9.009 8.579 -8.591 257 HG2 ARG 34 1HG ARG 34 -8.158 10.439 -9.721 258 HG3 ARG 34 2HG ARG 34 -6.802 9.525 -10.383 259 HD2 ARG 34 1HD ARG 34 -8.185 9.662 -12.215 260 HD3 ARG 34 2HD ARG 34 -8.684 8.119 -11.524 261 HE ARG 34 HE ARG 34 -10.403 9.795 -10.362 262 HH11 ARG 34 1HH1 ARG 34 -9.386 9.495 -13.678 263 HH12 ARG 34 2HH1 ARG 34 -10.893 10.052 -14.327 264 HH21 ARG 34 1HH2 ARG 34 -12.391 10.530 -11.203 265 HH22 ARG 34 2HH2 ARG 34 -12.602 10.641 -12.918 266 H ARG 35 H ARG 35 -6.915 5.918 -8.393 267 HA ARG 35 HA ARG 35 -8.441 4.775 -6.481 268 HB2 ARG 35 1HB ARG 35 -7.247 3.515 -8.227 269 HB3 ARG 35 2HB ARG 35 -5.735 3.754 -7.362 270 HG2 ARG 35 1HG ARG 35 -6.596 2.462 -5.482 271 HG3 ARG 35 2HG ARG 35 -8.123 2.234 -6.337 272 HD2 ARG 35 1HD ARG 35 -7.137 0.867 -7.964 273 HD3 ARG 35 2HD ARG 35 -5.508 1.396 -7.544 274 HE ARG 35 HE ARG 35 -6.541 0.159 -5.295 275 HH11 ARG 35 1HH1 ARG 35 -5.784 -0.704 -8.582 276 HH12 ARG 35 2HH1 ARG 35 -5.433 -2.358 -8.205 277 HH21 ARG 35 1HH2 ARG 35 -6.082 -2.017 -4.786 278 HH22 ARG 35 2HH2 ARG 35 -5.604 -3.104 -6.046 279 H TRP 36 H TRP 36 -5.048 5.737 -6.055 280 HA TRP 36 HA TRP 36 -4.835 4.880 -3.372 281 HB2 TRP 36 1HB TRP 36 -3.254 7.148 -4.574 282 HB3 TRP 36 2HB TRP 36 -2.756 6.015 -3.321 283 HD1 TRP 36 HD TRP 36 -1.691 6.676 -6.553 284 HE1 TRP 36 1HE TRP 36 -0.992 4.585 -7.881 285 HE3 TRP 36 3HE TRP 36 -3.982 3.103 -3.705 286 HZ2 TRP 36 2HZ TRP 36 -1.364 1.790 -7.741 287 HZ3 TRP 36 3HZ TRP 36 -3.763 0.744 -4.370 288 HH2 TRP 36 HH TRP 36 -2.481 0.104 -6.347 289 H GLN 37 H GLN 37 -5.632 8.016 -4.819 290 HA GLN 37 HA GLN 37 -5.718 9.566 -2.522 291 HB2 GLN 37 1HB GLN 37 -5.958 10.356 -4.904 292 HB3 GLN 37 2HB GLN 37 -7.632 9.819 -4.843 293 HG2 GLN 37 1HG GLN 37 -7.807 12.066 -4.376 294 HG3 GLN 37 2HG GLN 37 -7.806 11.341 -2.769 295 HE21 GLN 37 1HE2 GLN 37 -5.705 11.260 -1.658 296 HE22 GLN 37 2HE2 GLN 37 -4.605 12.572 -1.888 297 H LYS 38 H LYS 38 -8.261 7.554 -3.954 298 HA LYS 38 HA LYS 38 -10.295 8.231 -2.130 299 HB2 LYS 38 1HB LYS 38 -9.912 5.673 -3.697 300 HB3 LYS 38 2HB LYS 38 -11.402 6.167 -2.905 301 HG2 LYS 38 1HG LYS 38 -11.574 8.091 -4.374 302 HG3 LYS 38 2HG LYS 38 -10.045 7.657 -5.143 303 HD2 LYS 38 1HD LYS 38 -11.153 5.424 -5.693 304 HD3 LYS 38 2HD LYS 38 -12.674 6.201 -5.247 305 HE2 LYS 38 1HE LYS 38 -11.957 8.043 -6.905 306 HE3 LYS 38 2HE LYS 38 -10.816 6.844 -7.512 307 HZ1 LYS 38 3HZ LYS 38 -13.176 7.043 -8.543 308 HZ2 LYS 38 1HZ LYS 38 -13.643 6.106 -7.214 309 HZ3 LYS 38 2HZ LYS 38 -12.489 5.517 -8.301 310 H ILE 39 H ILE 39 -8.202 5.343 -2.230 311 HA ILE 39 HA ILE 39 -9.053 4.171 0.136 312 HB ILE 39 HB ILE 39 -6.313 4.112 -1.128 313 HG12 ILE 39 1HG1 ILE 39 -8.295 1.866 -1.139 314 HG13 ILE 39 2HG1 ILE 39 -8.491 3.195 -2.277 315 HG21 ILE 39 1HG2 ILE 39 -5.780 2.241 0.252 316 HG22 ILE 39 2HG2 ILE 39 -6.317 3.546 1.309 317 HG23 ILE 39 3HG2 ILE 39 -7.405 2.209 0.935 318 HD11 ILE 39 3HD1 ILE 39 -6.001 2.712 -2.844 319 HD12 ILE 39 1HD1 ILE 39 -6.339 1.143 -2.114 320 HD13 ILE 39 2HD1 ILE 39 -7.276 1.688 -3.506 321 H ALA 40 H ALA 40 -6.260 6.338 -0.335 322 HA ALA 40 HA ALA 40 -5.372 6.498 2.269 323 HB1 ALA 40 3HB ALA 40 -5.398 8.996 0.654 324 HB2 ALA 40 1HB ALA 40 -4.099 8.276 1.605 325 HB3 ALA 40 2HB ALA 40 -4.520 7.599 0.032 326 H ASP 41 H ASP 41 -7.798 8.577 0.696 327 HA ASP 41 HA ASP 41 -8.399 10.348 2.658 328 HB2 ASP 41 1HB ASP 41 -9.515 9.970 0.346 329 HB3 ASP 41 2HB ASP 41 -10.643 8.947 1.231 330 H GLU 42 H GLU 42 -10.003 7.173 2.348 331 HA GLU 42 HA GLU 42 -11.537 7.203 4.612 332 HB2 GLU 42 1HB GLU 42 -10.177 5.032 3.091 333 HB3 GLU 42 2HB GLU 42 -10.878 4.627 4.651 334 HG2 GLU 42 1HG GLU 42 -12.390 5.946 2.411 335 HG3 GLU 42 2HG GLU 42 -12.372 4.210 2.714 336 H LEU 43 H LEU 43 -8.214 5.921 4.418 337 HA LEU 43 HA LEU 43 -7.805 5.245 7.036 338 HB2 LEU 43 1HB LEU 43 -5.876 6.526 5.109 339 HB3 LEU 43 2HB LEU 43 -5.401 5.809 6.648 340 HG LEU 43 HG LEU 43 -6.779 4.245 4.476 341 HD11 LEU 43 1HD1 LEU 43 -4.640 3.461 3.745 342 HD12 LEU 43 2HD1 LEU 43 -3.816 4.394 4.994 343 HD13 LEU 43 3HD1 LEU 43 -4.637 5.223 3.673 344 HD21 LEU 43 3HD2 LEU 43 -6.780 3.428 6.863 345 HD22 LEU 43 1HD2 LEU 43 -5.026 3.292 6.729 346 HD23 LEU 43 2HD2 LEU 43 -6.068 2.333 5.677 347 H GLY 44 H GLY 44 -7.381 8.462 5.584 348 HA2 GLY 44 1HA GLY 44 -7.815 10.507 6.646 349 HA3 GLY 44 2HA GLY 44 -7.890 9.665 8.187 350 H ASN 45 H ASN 45 -5.445 8.344 8.163 351 HA ASN 45 HA ASN 45 -3.677 10.569 8.739 352 HB2 ASN 45 1HB ASN 45 -3.102 7.621 9.073 353 HB3 ASN 45 2HB ASN 45 -2.283 8.969 9.858 354 HD21 ASN 45 1HD2 ASN 45 -2.895 9.424 11.840 355 HD22 ASN 45 2HD2 ASN 45 -4.401 8.987 12.566 356 H ARG 46 H ARG 46 -3.711 7.708 6.643 357 HA ARG 46 HA ARG 46 -1.192 8.319 5.429 358 HB2 ARG 46 1HB ARG 46 -3.400 6.384 4.744 359 HB3 ARG 46 2HB ARG 46 -1.958 6.555 3.753 360 HG2 ARG 46 1HG ARG 46 -1.981 5.794 6.666 361 HG3 ARG 46 2HG ARG 46 -1.809 4.672 5.315 362 HD2 ARG 46 1HD ARG 46 0.391 5.002 5.855 363 HD3 ARG 46 2HD ARG 46 0.165 6.278 4.659 364 HE ARG 46 HE ARG 46 -0.415 7.526 6.976 365 HH11 ARG 46 1HH1 ARG 46 2.272 5.563 5.952 366 HH12 ARG 46 2HH1 ARG 46 3.418 6.369 6.972 367 HH21 ARG 46 1HH2 ARG 46 1.084 8.595 8.323 368 HH22 ARG 46 2HH2 ARG 46 2.741 8.093 8.320 369 H THR 47 H THR 47 -1.149 8.402 2.917 370 HA THR 47 HA THR 47 -3.280 10.093 1.844 371 HB THR 47 HB THR 47 -1.734 11.760 0.988 372 HG1 THR 47 1HG THR 47 0.085 10.016 1.208 373 HG21 THR 47 3HG2 THR 47 -1.233 11.350 3.937 374 HG22 THR 47 1HG2 THR 47 -2.704 12.049 3.262 375 HG23 THR 47 2HG2 THR 47 -1.159 12.872 3.049 376 H ALA 48 H ALA 48 -3.220 10.295 -0.487 377 HA ALA 48 HA ALA 48 -3.106 8.072 -1.947 378 HB1 ALA 48 3HB ALA 48 -3.825 9.743 -3.279 379 HB2 ALA 48 1HB ALA 48 -2.672 10.906 -2.625 380 HB3 ALA 48 2HB ALA 48 -2.152 9.736 -3.839 381 H LYS 49 H LYS 49 -0.282 10.218 -1.585 382 HA LYS 49 HA LYS 49 1.534 8.642 -3.008 383 HB2 LYS 49 1HB LYS 49 1.753 10.794 -0.962 384 HB3 LYS 49 2HB LYS 49 3.191 9.834 -1.288 385 HG2 LYS 49 1HG LYS 49 1.708 10.951 -3.604 386 HG3 LYS 49 2HG LYS 49 2.665 12.053 -2.612 387 HD2 LYS 49 1HD LYS 49 4.663 10.912 -3.078 388 HD3 LYS 49 2HD LYS 49 3.809 9.485 -3.671 389 HE2 LYS 49 1HE LYS 49 4.666 10.605 -5.576 390 HE3 LYS 49 2HE LYS 49 2.933 10.926 -5.541 391 HZ1 LYS 49 3HZ LYS 49 4.727 12.842 -4.240 392 HZ2 LYS 49 1HZ LYS 49 3.252 13.107 -5.025 393 HZ3 LYS 49 2HZ LYS 49 4.655 12.839 -5.930 394 H GLN 50 H GLN 50 1.550 9.003 0.538 395 HA GLN 50 HA GLN 50 3.181 6.979 1.251 396 HB2 GLN 50 1HB GLN 50 0.563 7.638 2.613 397 HB3 GLN 50 2HB GLN 50 1.906 6.769 3.345 398 HG2 GLN 50 1HG GLN 50 1.798 9.650 2.512 399 HG3 GLN 50 2HG GLN 50 2.026 8.987 4.130 400 HE21 GLN 50 1HE2 GLN 50 3.695 10.881 2.789 401 HE22 GLN 50 2HE2 GLN 50 5.258 10.162 2.629 402 H VAL 51 H VAL 51 -0.145 6.648 0.165 403 HA VAL 51 HA VAL 51 -0.364 3.866 0.761 404 HB VAL 51 HB VAL 51 -1.974 5.568 -1.146 405 HG11 VAL 51 1HG1 VAL 51 -3.304 3.248 -0.038 406 HG12 VAL 51 2HG1 VAL 51 -3.159 3.771 -1.717 407 HG13 VAL 51 3HG1 VAL 51 -1.883 2.800 -0.982 408 HG21 VAL 51 3HG2 VAL 51 -2.030 5.157 1.764 409 HG22 VAL 51 1HG2 VAL 51 -2.633 6.500 0.794 410 HG23 VAL 51 2HG2 VAL 51 -3.595 5.032 0.960 411 H ALA 52 H ALA 52 0.388 5.722 -2.160 412 HA ALA 52 HA ALA 52 0.466 3.628 -3.995 413 HB1 ALA 52 3HB ALA 52 0.530 5.861 -4.799 414 HB2 ALA 52 1HB ALA 52 2.004 6.214 -3.896 415 HB3 ALA 52 2HB ALA 52 2.053 5.106 -5.268 416 H SER 53 H SER 53 3.107 4.979 -2.027 417 HA SER 53 HA SER 53 5.093 3.201 -2.954 418 HB2 SER 53 1HB SER 53 4.898 4.793 -0.389 419 HB3 SER 53 2HB SER 53 6.338 3.907 -0.891 420 HG SER 53 HG SER 53 5.218 5.666 -2.735 421 H GLN 54 H GLN 54 2.637 2.935 -0.505 422 HA GLN 54 HA GLN 54 3.790 0.652 0.797 423 HB2 GLN 54 1HB GLN 54 2.056 2.418 1.686 424 HB3 GLN 54 2HB GLN 54 0.880 1.317 0.981 425 HG2 GLN 54 1HG GLN 54 1.040 0.671 3.214 426 HG3 GLN 54 2HG GLN 54 2.013 -0.509 2.338 427 HE21 GLN 54 1HE2 GLN 54 2.858 -0.814 4.562 428 HE22 GLN 54 2HE2 GLN 54 4.186 0.172 5.060 429 H VAL 55 H VAL 55 1.305 1.196 -1.650 430 HA VAL 55 HA VAL 55 0.464 -1.516 -1.815 431 HB VAL 55 HB VAL 55 0.188 0.744 -3.800 432 HG11 VAL 55 1HG1 VAL 55 -0.037 -1.211 -5.081 433 HG12 VAL 55 2HG1 VAL 55 -0.917 -2.050 -3.802 434 HG13 VAL 55 3HG1 VAL 55 -1.689 -0.735 -4.688 435 HG21 VAL 55 3HG2 VAL 55 -1.157 0.104 -1.349 436 HG22 VAL 55 1HG2 VAL 55 -1.388 1.485 -2.421 437 HG23 VAL 55 2HG2 VAL 55 -2.286 -0.007 -2.699 438 H GLN 56 H GLN 56 2.671 0.467 -3.771 439 HA GLN 56 HA GLN 56 3.316 -1.362 -5.736 440 HB2 GLN 56 1HB GLN 56 5.260 -0.073 -6.159 441 HB3 GLN 56 2HB GLN 56 4.048 1.056 -5.567 442 HG2 GLN 56 1HG GLN 56 5.092 1.251 -3.477 443 HG3 GLN 56 2HG GLN 56 6.092 -0.174 -3.752 444 HE21 GLN 56 1HE2 GLN 56 7.877 -0.021 -5.131 445 HE22 GLN 56 2HE2 GLN 56 8.575 1.503 -5.548 446 H LYS 57 H LYS 57 4.536 -1.113 -2.447 447 HA LYS 57 HA LYS 57 6.396 -3.315 -2.878 448 HB2 LYS 57 1HB LYS 57 5.870 -1.430 -0.596 449 HB3 LYS 57 2HB LYS 57 6.827 -2.887 -0.359 450 HG2 LYS 57 1HG LYS 57 8.477 -2.156 -1.902 451 HG3 LYS 57 2HG LYS 57 7.462 -0.819 -2.447 452 HD2 LYS 57 1HD LYS 57 7.575 0.103 -0.123 453 HD3 LYS 57 2HD LYS 57 8.758 -1.151 0.255 454 HE2 LYS 57 1HE LYS 57 10.087 -0.263 -1.728 455 HE3 LYS 57 2HE LYS 57 9.006 1.129 -1.689 456 HZ1 LYS 57 3HZ LYS 57 9.672 1.418 0.680 457 HZ2 LYS 57 1HZ LYS 57 10.925 1.668 -0.430 458 HZ3 LYS 57 2HZ LYS 57 10.851 0.226 0.451 459 H TYR 58 H TYR 58 3.381 -3.557 -2.893 460 HA TYR 58 HA TYR 58 3.172 -5.634 -0.812 461 HB2 TYR 58 1HB TYR 58 1.261 -3.540 -1.696 462 HB3 TYR 58 2HB TYR 58 0.587 -5.120 -1.314 463 HD1 TYR 58 1HD TYR 58 3.521 -3.613 0.354 464 HD2 TYR 58 2HD TYR 58 -0.625 -4.524 0.640 465 HE1 TYR 58 1HE TYR 58 3.568 -3.048 2.747 466 HE2 TYR 58 2HE TYR 58 -0.590 -3.961 3.034 467 HH TYR 58 HH TYR 58 1.560 -2.203 4.478 468 H PHE 59 H PHE 59 2.395 -4.701 -4.116 469 HA PHE 59 HA PHE 59 1.576 -7.459 -4.701 470 HB2 PHE 59 1HB PHE 59 1.230 -4.922 -6.313 471 HB3 PHE 59 2HB PHE 59 0.698 -6.520 -6.827 472 HD1 PHE 59 2HD PHE 59 0.403 -4.431 -3.743 473 HD2 PHE 59 1HD PHE 59 -1.550 -6.872 -6.632 474 HE1 PHE 59 2HE PHE 59 -1.739 -4.085 -2.583 475 HE2 PHE 59 1HE PHE 59 -3.695 -6.529 -5.476 476 HZ PHE 59 HZ PHE 59 -3.791 -5.136 -3.448 477 H ILE 60 H ILE 60 3.839 -4.933 -5.656 478 HA ILE 60 HA ILE 60 5.022 -6.331 -7.811 479 HB ILE 60 HB ILE 60 6.382 -4.263 -6.088 480 HG12 ILE 60 1HG1 ILE 60 4.585 -3.829 -8.484 481 HG13 ILE 60 2HG1 ILE 60 4.157 -3.469 -6.815 482 HG21 ILE 60 1HG2 ILE 60 8.061 -4.519 -7.515 483 HG22 ILE 60 2HG2 ILE 60 7.139 -5.711 -8.429 484 HG23 ILE 60 3HG2 ILE 60 7.001 -3.998 -8.824 485 HD11 ILE 60 3HD1 ILE 60 4.786 -1.448 -7.942 486 HD12 ILE 60 1HD1 ILE 60 6.009 -1.842 -6.734 487 HD13 ILE 60 2HD1 ILE 60 6.320 -2.158 -8.441 488 H LYS 61 H LYS 61 5.608 -6.304 -4.356 489 HA LYS 61 HA LYS 61 8.117 -7.589 -4.364 490 HB2 LYS 61 1HB LYS 61 7.284 -6.445 -2.388 491 HB3 LYS 61 2HB LYS 61 5.935 -7.568 -2.270 492 HG2 LYS 61 1HG LYS 61 7.677 -9.396 -2.001 493 HG3 LYS 61 2HG LYS 61 8.845 -8.094 -1.764 494 HD2 LYS 61 1HD LYS 61 7.333 -7.227 0.059 495 HD3 LYS 61 2HD LYS 61 6.418 -8.729 -0.095 496 HE2 LYS 61 1HE LYS 61 7.874 -9.270 1.599 497 HE3 LYS 61 2HE LYS 61 8.770 -9.839 0.192 498 HZ1 LYS 61 3HZ LYS 61 10.414 -8.471 0.706 499 HZ2 LYS 61 1HZ LYS 61 9.584 -7.981 2.096 500 HZ3 LYS 61 2HZ LYS 61 9.382 -7.132 0.648 501 H LEU 62 H LEU 62 4.818 -8.814 -4.421 502 HA LEU 62 HA LEU 62 5.723 -11.569 -4.237 503 HB2 LEU 62 1HB LEU 62 3.319 -12.110 -4.394 504 HB3 LEU 62 2HB LEU 62 3.710 -11.023 -3.064 505 HG LEU 62 HG LEU 62 2.958 -9.139 -4.630 506 HD11 LEU 62 1HD1 LEU 62 1.250 -9.890 -6.291 507 HD12 LEU 62 2HD1 LEU 62 1.846 -11.535 -6.074 508 HD13 LEU 62 3HD1 LEU 62 2.915 -10.288 -6.717 509 HD21 LEU 62 3HD2 LEU 62 1.314 -9.214 -3.137 510 HD22 LEU 62 1HD2 LEU 62 1.487 -10.959 -2.949 511 HD23 LEU 62 2HD2 LEU 62 0.455 -10.308 -4.223 512 H THR 63 H THR 63 6.452 -9.839 -6.533 513 HA THR 63 HA THR 63 5.323 -11.524 -8.671 514 HB THR 63 HB THR 63 6.171 -8.639 -8.980 515 HG1 THR 63 1HG THR 63 3.513 -9.564 -9.202 516 HG21 THR 63 3HG2 THR 63 4.425 -9.663 -11.018 517 HG22 THR 63 1HG2 THR 63 5.847 -10.696 -10.870 518 HG23 THR 63 2HG2 THR 63 6.039 -8.970 -11.180 519 H LYS 64 H LYS 64 7.652 -12.144 -7.198 520 HA LYS 64 HA LYS 64 9.477 -12.630 -9.293 521 HB2 LYS 64 1HB LYS 64 9.857 -10.145 -8.757 522 HB3 LYS 64 2HB LYS 64 10.571 -10.707 -7.250 523 HG2 LYS 64 1HG LYS 64 11.535 -11.812 -9.849 524 HG3 LYS 64 2HG LYS 64 12.080 -10.223 -9.306 525 HD2 LYS 64 1HD LYS 64 12.816 -11.256 -7.176 526 HD3 LYS 64 2HD LYS 64 12.365 -12.835 -7.821 527 HE2 LYS 64 1HE LYS 64 14.704 -12.596 -8.149 528 HE3 LYS 64 2HE LYS 64 13.942 -12.393 -9.726 529 HZ1 LYS 64 3HZ LYS 64 14.022 -9.869 -8.826 530 HZ2 LYS 64 1HZ LYS 64 15.204 -10.564 -9.817 531 HZ3 LYS 64 2HZ LYS 64 15.438 -10.494 -8.144 532 H ALA 65 H ALA 65 10.592 -14.408 -8.787 533 HA ALA 65 HA ALA 65 10.451 -15.404 -6.057 534 HB1 ALA 65 3HB ALA 65 11.424 -17.484 -7.092 535 HB2 ALA 65 1HB ALA 65 9.844 -16.995 -7.703 536 HB3 ALA 65 2HB ALA 65 11.295 -16.671 -8.652 537 H GLY 66 H GLY 66 12.089 -15.365 -4.653 538 HA2 GLY 66 1HA GLY 66 14.519 -15.851 -4.374 539 HA3 GLY 66 2HA GLY 66 14.778 -14.730 -5.703 540 H ILE 67 H ILE 67 12.771 -12.835 -4.788 541 HA ILE 67 HA ILE 67 14.158 -10.947 -3.516 542 HB ILE 67 HB ILE 67 11.282 -11.614 -2.878 543 HG12 ILE 67 1HG1 ILE 67 12.392 -9.622 -4.862 544 HG13 ILE 67 2HG1 ILE 67 11.869 -11.245 -5.299 545 HG21 ILE 67 1HG2 ILE 67 12.574 -8.915 -2.646 546 HG22 ILE 67 2HG2 ILE 67 11.023 -9.454 -2.005 547 HG23 ILE 67 3HG2 ILE 67 12.524 -10.047 -1.295 548 HD11 ILE 67 3HD1 ILE 67 9.821 -9.899 -3.803 549 HD12 ILE 67 1HD1 ILE 67 10.322 -8.932 -5.190 550 HD13 ILE 67 2HD1 ILE 67 9.762 -10.589 -5.425 551 HA PRO 68 HA PRO 68 15.373 -12.459 0.448 552 HB2 PRO 68 1HB PRO 68 16.034 -10.080 1.577 553 HB3 PRO 68 2HB PRO 68 17.039 -10.878 0.362 554 HG2 PRO 68 1HG PRO 68 15.079 -8.641 0.025 555 HG3 PRO 68 2HG PRO 68 16.695 -8.828 -0.680 556 HD2 PRO 68 1HD PRO 68 14.429 -9.361 -2.065 557 HD3 PRO 68 2HD PRO 68 15.944 -10.246 -2.336 558 H VAL 69 H VAL 69 14.882 -12.121 2.767 559 HA VAL 69 HA VAL 69 12.058 -11.413 3.099 560 HB VAL 69 HB VAL 69 13.897 -12.955 4.936 561 HG11 VAL 69 1HG1 VAL 69 10.906 -12.684 5.135 562 HG12 VAL 69 2HG1 VAL 69 12.015 -13.399 6.306 563 HG13 VAL 69 3HG1 VAL 69 12.028 -11.658 6.028 564 HG21 VAL 69 3HG2 VAL 69 12.545 -14.900 4.261 565 HG22 VAL 69 1HG2 VAL 69 11.686 -13.881 3.105 566 HG23 VAL 69 2HG2 VAL 69 13.411 -14.184 2.902 567 H SER 70 H SER 70 11.508 -9.562 4.025 568 HA SER 70 HA SER 70 13.305 -8.371 6.021 569 HB2 SER 70 1HB SER 70 11.965 -6.835 3.781 570 HB3 SER 70 2HB SER 70 12.961 -6.144 5.061 571 HG SER 70 HG SER 70 14.018 -8.183 3.452 572 H GLY 71 H GLY 71 12.285 -7.816 7.835 573 HA2 GLY 71 1HA GLY 71 10.435 -6.598 8.874 574 HA3 GLY 71 2HA GLY 71 9.369 -7.362 7.704 575 HA PRO 72 HA PRO 72 9.914 -9.847 11.772 576 HB2 PRO 72 1HB PRO 72 7.772 -8.940 13.173 577 HB3 PRO 72 2HB PRO 72 9.382 -8.223 13.308 578 HG2 PRO 72 1HG PRO 72 7.025 -7.299 11.711 579 HG3 PRO 72 2HG PRO 72 8.153 -6.347 12.693 580 HD2 PRO 72 1HD PRO 72 8.344 -6.503 9.997 581 HD3 PRO 72 2HD PRO 72 9.765 -6.322 11.046 582 H SER 73 H SER 73 9.312 -11.583 10.437 583 HA SER 73 HA SER 73 6.994 -12.084 9.116 584 HB2 SER 73 1HB SER 73 9.064 -13.585 9.371 585 HB3 SER 73 2HB SER 73 8.271 -14.229 10.808 586 HG SER 73 HG SER 73 7.632 -14.548 8.124 587 H SER 74 H SER 74 7.561 -12.621 12.577 588 HA SER 74 HA SER 74 6.142 -13.069 14.307 589 HB2 SER 74 1HB SER 74 4.253 -11.329 12.703 590 HB3 SER 74 2HB SER 74 4.171 -11.643 14.436 591 HG SER 74 HG SER 74 5.411 -9.962 14.606 592 H GLY 75 H GLY 75 6.182 -15.104 12.418 593 HA2 GLY 75 1HA GLY 75 4.559 -17.000 12.936 594 HA3 GLY 75 2HA GLY 75 3.355 -15.928 12.236 Start of MODEL 4 1 H1 GLY 1 H GLY 1 11.527 -15.695 4.369 2 HA2 GLY 1 1HA GLY 1 10.219 -13.313 5.518 3 HA3 GLY 1 2HA GLY 1 10.933 -14.536 6.559 4 H SER 2 H SER 2 11.570 -11.954 4.299 5 HA SER 2 HA SER 2 14.449 -12.175 4.726 6 HB2 SER 2 1HB SER 2 13.186 -11.611 2.469 7 HB3 SER 2 2HB SER 2 13.229 -9.971 3.116 8 HG SER 2 HG SER 2 15.388 -11.672 2.471 9 H SER 3 H SER 3 15.521 -9.861 4.893 10 HA SER 3 HA SER 3 14.109 -8.337 6.979 11 HB2 SER 3 1HB SER 3 16.220 -8.068 8.193 12 HB3 SER 3 2HB SER 3 15.828 -9.778 8.013 13 HG SER 3 HG SER 3 17.347 -9.937 6.391 14 H GLY 4 H GLY 4 13.804 -6.312 6.352 15 HA2 GLY 4 1HA GLY 4 15.748 -4.510 5.594 16 HA3 GLY 4 2HA GLY 4 15.142 -5.194 4.093 17 H SER 5 H SER 5 13.400 -4.430 7.087 18 HA SER 5 HA SER 5 11.783 -2.511 5.540 19 HB2 SER 5 1HB SER 5 10.905 -4.462 7.677 20 HB3 SER 5 2HB SER 5 9.890 -3.148 7.083 21 HG SER 5 HG SER 5 9.680 -4.138 5.185 22 H SER 6 H SER 6 12.810 -0.657 6.182 23 HA SER 6 HA SER 6 12.498 0.045 9.016 24 HB2 SER 6 1HB SER 6 14.680 1.196 8.982 25 HB3 SER 6 2HB SER 6 14.857 -0.532 8.677 26 HG SER 6 HG SER 6 14.838 0.075 6.385 27 H GLY 7 H GLY 7 12.288 2.310 9.435 28 HA2 GLY 7 1HA GLY 7 12.264 4.282 7.415 29 HA3 GLY 7 2HA GLY 7 10.632 3.671 7.643 30 H ASN 8 H ASN 8 10.061 5.822 8.317 31 HA ASN 8 HA ASN 8 10.916 6.418 11.074 32 HB2 ASN 8 1HB ASN 8 11.524 8.075 9.190 33 HB3 ASN 8 2HB ASN 8 9.810 8.480 9.180 34 HD21 ASN 8 1HD2 ASN 8 12.734 9.309 10.410 35 HD22 ASN 8 2HD2 ASN 8 12.223 10.177 11.814 36 H GLN 9 H GLN 9 8.207 7.145 8.864 37 HA GLN 9 HA GLN 9 6.374 6.916 11.140 38 HB2 GLN 9 1HB GLN 9 5.873 8.022 8.371 39 HB3 GLN 9 2HB GLN 9 4.745 8.063 9.720 40 HG2 GLN 9 1HG GLN 9 6.189 9.539 10.950 41 HG3 GLN 9 2HG GLN 9 7.435 9.411 9.709 42 HE21 GLN 9 1HE2 GLN 9 7.366 10.736 7.996 43 HE22 GLN 9 2HE2 GLN 9 6.117 11.891 7.694 44 H LEU 10 H LEU 10 7.409 4.519 10.207 45 HA LEU 10 HA LEU 10 6.113 3.139 8.235 46 HB2 LEU 10 1HB LEU 10 7.888 2.439 10.069 47 HB3 LEU 10 2HB LEU 10 6.458 1.765 10.850 48 HG LEU 10 HG LEU 10 7.299 1.067 8.042 49 HD11 LEU 10 1HD1 LEU 10 8.934 0.487 9.967 50 HD12 LEU 10 2HD1 LEU 10 8.480 -0.764 8.811 51 HD13 LEU 10 3HD1 LEU 10 7.722 -0.718 10.402 52 HD21 LEU 10 3HD2 LEU 10 5.177 0.313 8.083 53 HD22 LEU 10 1HD2 LEU 10 5.098 0.312 9.845 54 HD23 LEU 10 2HD2 LEU 10 5.882 -1.021 8.998 55 H TRP 11 H TRP 11 4.223 1.954 8.041 56 HA TRP 11 HA TRP 11 1.934 3.001 9.305 57 HB2 TRP 11 1HB TRP 11 2.324 0.484 7.677 58 HB3 TRP 11 2HB TRP 11 0.750 1.078 8.200 59 HD1 TRP 11 HD TRP 11 3.654 3.143 6.673 60 HE1 TRP 11 1HE TRP 11 2.762 4.327 4.569 61 HE3 TRP 11 3HE TRP 11 -1.057 1.161 6.561 62 HZ2 TRP 11 2HZ TRP 11 0.377 4.411 3.061 63 HZ3 TRP 11 3HZ TRP 11 -2.582 1.846 4.756 64 HH2 TRP 11 HH TRP 11 -1.878 3.437 3.043 65 H THR 12 H THR 12 0.266 1.481 10.354 66 HA THR 12 HA THR 12 1.634 -0.140 12.402 67 HB THR 12 HB THR 12 0.568 2.022 13.201 68 HG1 THR 12 1HG THR 12 -0.432 0.883 15.015 69 HG21 THR 12 3HG2 THR 12 -1.863 1.990 13.531 70 HG22 THR 12 1HG2 THR 12 -1.963 0.472 12.640 71 HG23 THR 12 2HG2 THR 12 -1.446 1.944 11.818 72 H VAL 13 H VAL 13 0.638 -2.047 13.098 73 HA VAL 13 HA VAL 13 -0.381 -3.803 11.379 74 HB VAL 13 HB VAL 13 -1.301 -3.503 14.240 75 HG11 VAL 13 1HG1 VAL 13 -1.556 -5.850 12.363 76 HG12 VAL 13 2HG1 VAL 13 -1.889 -5.895 14.095 77 HG13 VAL 13 3HG1 VAL 13 -2.874 -4.889 13.033 78 HG21 VAL 13 3HG2 VAL 13 1.154 -3.779 13.821 79 HG22 VAL 13 1HG2 VAL 13 0.423 -5.058 14.789 80 HG23 VAL 13 2HG2 VAL 13 0.791 -5.341 13.088 81 H GLU 14 H GLU 14 -2.424 -1.567 13.249 82 HA GLU 14 HA GLU 14 -4.905 -2.354 12.313 83 HB2 GLU 14 1HB GLU 14 -3.943 0.420 13.033 84 HB3 GLU 14 2HB GLU 14 -5.630 -0.014 12.799 85 HG2 GLU 14 1HG GLU 14 -5.249 -1.764 14.617 86 HG3 GLU 14 2HG GLU 14 -3.758 -0.892 14.966 87 H GLU 15 H GLU 15 -3.011 0.398 11.052 88 HA GLU 15 HA GLU 15 -4.595 0.895 8.820 89 HB2 GLU 15 1HB GLU 15 -1.660 1.379 9.317 90 HB3 GLU 15 2HB GLU 15 -2.478 1.929 7.861 91 HG2 GLU 15 1HG GLU 15 -3.103 2.740 10.690 92 HG3 GLU 15 2HG GLU 15 -2.334 3.728 9.449 93 H GLN 16 H GLN 16 -1.826 -1.269 9.200 94 HA GLN 16 HA GLN 16 -1.352 -2.012 6.602 95 HB2 GLN 16 1HB GLN 16 -1.207 -3.531 9.184 96 HB3 GLN 16 2HB GLN 16 -0.851 -4.338 7.663 97 HG2 GLN 16 1HG GLN 16 0.943 -2.805 7.210 98 HG3 GLN 16 2HG GLN 16 0.535 -1.851 8.635 99 HE21 GLN 16 1HE2 GLN 16 3.068 -2.800 8.282 100 HE22 GLN 16 2HE2 GLN 16 3.399 -4.036 9.443 101 H LYS 17 H LYS 17 -3.408 -3.928 8.799 102 HA LYS 17 HA LYS 17 -4.564 -5.500 6.794 103 HB2 LYS 17 1HB LYS 17 -6.225 -6.125 8.466 104 HB3 LYS 17 2HB LYS 17 -4.619 -6.087 9.181 105 HG2 LYS 17 1HG LYS 17 -5.137 -3.822 10.070 106 HG3 LYS 17 2HG LYS 17 -6.787 -4.020 9.474 107 HD2 LYS 17 1HD LYS 17 -7.064 -4.751 11.621 108 HD3 LYS 17 2HD LYS 17 -6.629 -6.276 10.845 109 HE2 LYS 17 1HE LYS 17 -4.359 -6.074 11.589 110 HE3 LYS 17 2HE LYS 17 -4.649 -4.442 12.189 111 HZ1 LYS 17 3HZ LYS 17 -5.611 -5.207 14.055 112 HZ2 LYS 17 1HZ LYS 17 -4.736 -6.616 13.720 113 HZ3 LYS 17 2HZ LYS 17 -6.366 -6.510 13.283 114 H LYS 18 H LYS 18 -5.611 -2.447 8.233 115 HA LYS 18 HA LYS 18 -8.147 -2.248 7.123 116 HB2 LYS 18 1HB LYS 18 -7.204 -0.695 8.813 117 HB3 LYS 18 2HB LYS 18 -6.182 0.008 7.567 118 HG2 LYS 18 1HG LYS 18 -7.963 1.025 6.495 119 HG3 LYS 18 2HG LYS 18 -9.150 -0.062 7.220 120 HD2 LYS 18 1HD LYS 18 -8.899 0.993 9.359 121 HD3 LYS 18 2HD LYS 18 -7.545 1.963 8.775 122 HE2 LYS 18 1HE LYS 18 -9.549 3.314 8.859 123 HE3 LYS 18 2HE LYS 18 -9.063 3.072 7.182 124 HZ1 LYS 18 3HZ LYS 18 -11.232 2.559 6.964 125 HZ2 LYS 18 1HZ LYS 18 -11.423 2.117 8.586 126 HZ3 LYS 18 2HZ LYS 18 -10.726 1.033 7.490 127 H LEU 19 H LEU 19 -5.015 -1.334 5.742 128 HA LEU 19 HA LEU 19 -6.018 -0.188 3.371 129 HB2 LEU 19 1HB LEU 19 -3.794 0.307 3.949 130 HB3 LEU 19 2HB LEU 19 -3.374 -1.396 4.117 131 HG LEU 19 HG LEU 19 -3.654 -1.615 1.634 132 HD11 LEU 19 1HD1 LEU 19 -3.369 0.667 0.455 133 HD12 LEU 19 2HD1 LEU 19 -4.086 1.330 1.923 134 HD13 LEU 19 3HD1 LEU 19 -4.981 0.157 0.957 135 HD21 LEU 19 3HD2 LEU 19 -1.585 0.456 1.976 136 HD22 LEU 19 1HD2 LEU 19 -1.460 -1.184 1.339 137 HD23 LEU 19 2HD2 LEU 19 -1.496 -0.916 3.082 138 H GLU 20 H GLU 20 -4.489 -3.382 3.832 139 HA GLU 20 HA GLU 20 -4.761 -4.538 1.435 140 HB2 GLU 20 1HB GLU 20 -5.535 -5.827 4.058 141 HB3 GLU 20 2HB GLU 20 -5.190 -6.699 2.571 142 HG2 GLU 20 1HG GLU 20 -2.930 -6.223 2.659 143 HG3 GLU 20 2HG GLU 20 -3.161 -4.836 3.722 144 H GLN 21 H GLN 21 -7.416 -4.137 3.749 145 HA GLN 21 HA GLN 21 -9.382 -5.453 2.214 146 HB2 GLN 21 1HB GLN 21 -9.593 -3.348 4.366 147 HB3 GLN 21 2HB GLN 21 -10.993 -4.133 3.647 148 HG2 GLN 21 1HG GLN 21 -8.787 -5.723 4.901 149 HG3 GLN 21 2HG GLN 21 -10.095 -5.037 5.863 150 HE21 GLN 21 1HE2 GLN 21 -11.212 -6.795 6.436 151 HE22 GLN 21 2HE2 GLN 21 -11.914 -7.926 5.334 152 H LEU 22 H LEU 22 -8.907 -1.951 2.722 153 HA LEU 22 HA LEU 22 -10.747 -0.940 0.995 154 HB2 LEU 22 1HB LEU 22 -7.931 0.031 1.451 155 HB3 LEU 22 2HB LEU 22 -9.184 0.967 0.638 156 HG LEU 22 HG LEU 22 -9.703 -0.024 3.401 157 HD11 LEU 22 1HD1 LEU 22 -8.657 2.552 3.670 158 HD12 LEU 22 2HD1 LEU 22 -7.487 1.665 2.694 159 HD13 LEU 22 3HD1 LEU 22 -7.967 1.045 4.273 160 HD21 LEU 22 3HD2 LEU 22 -11.098 1.884 3.533 161 HD22 LEU 22 1HD2 LEU 22 -11.389 1.165 1.949 162 HD23 LEU 22 2HD2 LEU 22 -10.375 2.601 2.092 163 H LEU 23 H LEU 23 -7.439 -1.924 0.124 164 HA LEU 23 HA LEU 23 -7.252 -1.294 -2.481 165 HB2 LEU 23 1HB LEU 23 -6.460 -3.784 -1.027 166 HB3 LEU 23 2HB LEU 23 -6.178 -3.647 -2.762 167 HG LEU 23 HG LEU 23 -5.142 -1.575 -0.856 168 HD11 LEU 23 1HD1 LEU 23 -3.467 -2.851 -0.121 169 HD12 LEU 23 2HD1 LEU 23 -3.210 -3.581 -1.706 170 HD13 LEU 23 3HD1 LEU 23 -4.452 -4.223 -0.631 171 HD21 LEU 23 3HD2 LEU 23 -4.037 -0.766 -2.633 172 HD22 LEU 23 1HD2 LEU 23 -5.220 -1.675 -3.574 173 HD23 LEU 23 2HD2 LEU 23 -3.635 -2.373 -3.241 174 H ILE 24 H ILE 24 -9.005 -4.130 -1.248 175 HA ILE 24 HA ILE 24 -9.887 -5.035 -3.779 176 HB ILE 24 HB ILE 24 -11.108 -5.522 -1.060 177 HG12 ILE 24 1HG1 ILE 24 -9.457 -7.526 -2.535 178 HG13 ILE 24 2HG1 ILE 24 -8.630 -6.215 -1.701 179 HG21 ILE 24 1HG2 ILE 24 -11.795 -6.446 -3.767 180 HG22 ILE 24 2HG2 ILE 24 -11.722 -7.701 -2.531 181 HG23 ILE 24 3HG2 ILE 24 -12.795 -6.318 -2.320 182 HD11 ILE 24 3HD1 ILE 24 -8.749 -7.398 0.157 183 HD12 ILE 24 1HD1 ILE 24 -10.504 -7.229 0.116 184 HD13 ILE 24 2HD1 ILE 24 -9.734 -8.625 -0.640 185 H LYS 25 H LYS 25 -11.593 -3.244 -1.212 186 HA LYS 25 HA LYS 25 -14.031 -2.893 -2.432 187 HB2 LYS 25 1HB LYS 25 -13.740 -2.181 -0.173 188 HB3 LYS 25 2HB LYS 25 -12.478 -1.043 -0.625 189 HG2 LYS 25 1HG LYS 25 -14.399 0.019 -2.068 190 HG3 LYS 25 2HG LYS 25 -15.429 -0.814 -0.902 191 HD2 LYS 25 1HD LYS 25 -13.148 0.880 0.040 192 HD3 LYS 25 2HD LYS 25 -14.676 1.629 -0.432 193 HE2 LYS 25 1HE LYS 25 -15.872 0.370 1.218 194 HE3 LYS 25 2HE LYS 25 -14.445 -0.598 1.587 195 HZ1 LYS 25 3HZ LYS 25 -14.971 2.231 2.249 196 HZ2 LYS 25 1HZ LYS 25 -13.393 1.622 2.220 197 HZ3 LYS 25 2HZ LYS 25 -14.533 0.966 3.283 198 H TYR 26 H TYR 26 -11.076 -1.006 -2.887 199 HA TYR 26 HA TYR 26 -12.408 0.566 -4.973 200 HB2 TYR 26 1HB TYR 26 -9.860 0.951 -3.416 201 HB3 TYR 26 2HB TYR 26 -10.187 1.868 -4.883 202 HD1 TYR 26 1HD TYR 26 -12.060 3.473 -4.949 203 HD2 TYR 26 2HD TYR 26 -11.002 1.438 -1.366 204 HE1 TYR 26 1HE TYR 26 -13.365 5.101 -3.646 205 HE2 TYR 26 2HE TYR 26 -12.305 3.059 -0.053 206 HH TYR 26 HH TYR 26 -13.542 5.962 -1.423 207 HA PRO 27 HA PRO 27 -10.351 -2.419 -7.694 208 HB2 PRO 27 1HB PRO 27 -11.907 -1.842 -9.842 209 HB3 PRO 27 2HB PRO 27 -12.421 -2.932 -8.549 210 HG2 PRO 27 1HG PRO 27 -13.103 -0.049 -8.980 211 HG3 PRO 27 2HG PRO 27 -14.159 -1.388 -8.493 212 HD2 PRO 27 1HD PRO 27 -13.163 0.400 -6.720 213 HD3 PRO 27 2HD PRO 27 -13.474 -1.295 -6.294 214 HA PRO 28 HA PRO 28 -7.648 0.140 -10.034 215 HB2 PRO 28 1HB PRO 28 -7.400 -1.198 -12.383 216 HB3 PRO 28 2HB PRO 28 -6.685 -1.770 -10.871 217 HG2 PRO 28 1HG PRO 28 -9.224 -2.622 -12.208 218 HG3 PRO 28 2HG PRO 28 -7.978 -3.619 -11.434 219 HD2 PRO 28 1HD PRO 28 -10.303 -2.977 -10.203 220 HD3 PRO 28 2HD PRO 28 -8.783 -3.201 -9.314 221 H GLU 29 H GLU 29 -7.388 1.424 -12.032 222 HA GLU 29 HA GLU 29 -9.704 1.801 -13.712 223 HB2 GLU 29 1HB GLU 29 -9.717 4.314 -13.121 224 HB3 GLU 29 2HB GLU 29 -10.531 3.196 -12.036 225 HG2 GLU 29 1HG GLU 29 -7.757 4.291 -11.634 226 HG3 GLU 29 2HG GLU 29 -9.216 4.887 -10.844 227 H GLU 30 H GLU 30 -9.244 3.988 -15.045 228 HA GLU 30 HA GLU 30 -6.943 3.449 -16.577 229 HB2 GLU 30 1HB GLU 30 -7.469 5.718 -17.617 230 HB3 GLU 30 2HB GLU 30 -8.726 4.492 -17.706 231 HG2 GLU 30 1HG GLU 30 -9.995 5.527 -16.009 232 HG3 GLU 30 2HG GLU 30 -8.658 6.581 -15.552 233 H VAL 31 H VAL 31 -7.627 5.891 -14.113 234 HA VAL 31 HA VAL 31 -4.870 6.864 -14.290 235 HB VAL 31 HB VAL 31 -7.154 7.958 -12.642 236 HG11 VAL 31 1HG1 VAL 31 -4.916 8.500 -11.785 237 HG12 VAL 31 2HG1 VAL 31 -4.489 9.178 -13.357 238 HG13 VAL 31 3HG1 VAL 31 -5.758 9.927 -12.387 239 HG21 VAL 31 3HG2 VAL 31 -7.141 7.985 -15.311 240 HG22 VAL 31 1HG2 VAL 31 -7.759 9.327 -14.349 241 HG23 VAL 31 2HG2 VAL 31 -6.129 9.399 -15.019 242 H GLU 32 H GLU 32 -3.419 5.881 -13.054 243 HA GLU 32 HA GLU 32 -4.205 4.394 -10.707 244 HB2 GLU 32 1HB GLU 32 -2.307 3.904 -12.491 245 HB3 GLU 32 2HB GLU 32 -1.343 4.882 -11.393 246 HG2 GLU 32 1HG GLU 32 -0.955 2.742 -10.636 247 HG3 GLU 32 2HG GLU 32 -2.236 3.301 -9.562 248 H SER 33 H SER 33 -4.751 7.138 -10.466 249 HA SER 33 HA SER 33 -2.906 7.860 -8.288 250 HB2 SER 33 1HB SER 33 -2.398 9.375 -10.075 251 HB3 SER 33 2HB SER 33 -4.108 9.677 -10.385 252 HG SER 33 HG SER 33 -2.560 11.078 -8.854 253 H ARG 34 H ARG 34 -6.102 8.642 -9.665 254 HA ARG 34 HA ARG 34 -7.253 9.713 -7.379 255 HB2 ARG 34 1HB ARG 34 -9.443 8.966 -8.414 256 HB3 ARG 34 2HB ARG 34 -8.411 9.963 -9.432 257 HG2 ARG 34 1HG ARG 34 -7.699 8.057 -10.690 258 HG3 ARG 34 2HG ARG 34 -8.526 6.960 -9.581 259 HD2 ARG 34 1HD ARG 34 -10.082 7.067 -11.248 260 HD3 ARG 34 2HD ARG 34 -10.617 8.422 -10.255 261 HE ARG 34 HE ARG 34 -8.732 9.127 -12.319 262 HH11 ARG 34 1HH1 ARG 34 -12.088 8.706 -11.491 263 HH12 ARG 34 2HH1 ARG 34 -12.663 9.755 -12.744 264 HH21 ARG 34 1HH2 ARG 34 -9.478 10.511 -13.972 265 HH22 ARG 34 2HH2 ARG 34 -11.178 10.780 -14.155 266 H ARG 35 H ARG 35 -6.746 6.376 -8.289 267 HA ARG 35 HA ARG 35 -8.508 5.147 -6.484 268 HB2 ARG 35 1HB ARG 35 -7.526 3.857 -8.255 269 HB3 ARG 35 2HB ARG 35 -5.901 4.200 -7.676 270 HG2 ARG 35 1HG ARG 35 -6.346 2.897 -5.655 271 HG3 ARG 35 2HG ARG 35 -7.972 2.548 -6.246 272 HD2 ARG 35 1HD ARG 35 -7.038 1.395 -8.177 273 HD3 ARG 35 2HD ARG 35 -5.406 1.782 -7.633 274 HE ARG 35 HE ARG 35 -6.482 0.442 -5.533 275 HH11 ARG 35 1HH1 ARG 35 -6.151 -0.247 -8.929 276 HH12 ARG 35 2HH1 ARG 35 -6.050 -1.962 -8.704 277 HH21 ARG 35 1HH2 ARG 35 -6.350 -1.814 -5.224 278 HH22 ARG 35 2HH2 ARG 35 -6.164 -2.852 -6.597 279 H TRP 36 H TRP 36 -5.123 6.133 -6.132 280 HA TRP 36 HA TRP 36 -4.803 5.099 -3.510 281 HB2 TRP 36 1HB TRP 36 -3.255 7.397 -4.709 282 HB3 TRP 36 2HB TRP 36 -2.722 6.269 -3.466 283 HD1 TRP 36 HD TRP 36 -1.795 6.929 -6.760 284 HE1 TRP 36 1HE TRP 36 -1.105 4.835 -8.088 285 HE3 TRP 36 3HE TRP 36 -3.876 3.347 -3.764 286 HZ2 TRP 36 2HZ TRP 36 -1.404 2.035 -7.891 287 HZ3 TRP 36 3HZ TRP 36 -3.629 0.984 -4.405 288 HH2 TRP 36 HH TRP 36 -2.418 0.344 -6.427 289 H GLN 37 H GLN 37 -5.649 8.300 -4.768 290 HA GLN 37 HA GLN 37 -5.624 9.739 -2.396 291 HB2 GLN 37 1HB GLN 37 -6.062 10.491 -4.855 292 HB3 GLN 37 2HB GLN 37 -7.751 10.214 -4.454 293 HG2 GLN 37 1HG GLN 37 -7.337 12.506 -4.101 294 HG3 GLN 37 2HG GLN 37 -7.441 11.761 -2.507 295 HE21 GLN 37 1HE2 GLN 37 -5.745 11.892 -1.155 296 HE22 GLN 37 2HE2 GLN 37 -4.244 12.656 -1.537 297 H LYS 38 H LYS 38 -8.380 8.049 -3.895 298 HA LYS 38 HA LYS 38 -10.283 8.572 -1.949 299 HB2 LYS 38 1HB LYS 38 -9.908 6.233 -3.808 300 HB3 LYS 38 2HB LYS 38 -11.282 6.334 -2.715 301 HG2 LYS 38 1HG LYS 38 -12.087 8.302 -3.775 302 HG3 LYS 38 2HG LYS 38 -10.605 8.471 -4.719 303 HD2 LYS 38 1HD LYS 38 -12.152 5.947 -4.990 304 HD3 LYS 38 2HD LYS 38 -12.807 7.403 -5.742 305 HE2 LYS 38 1HE LYS 38 -10.860 7.691 -7.073 306 HE3 LYS 38 2HE LYS 38 -9.979 6.463 -6.165 307 HZ1 LYS 38 3HZ LYS 38 -10.641 5.042 -7.717 308 HZ2 LYS 38 1HZ LYS 38 -11.723 6.151 -8.396 309 HZ3 LYS 38 2HZ LYS 38 -12.210 5.180 -7.100 310 H ILE 39 H ILE 39 -8.229 5.667 -2.212 311 HA ILE 39 HA ILE 39 -9.019 4.420 0.135 312 HB ILE 39 HB ILE 39 -6.318 4.386 -1.213 313 HG12 ILE 39 1HG1 ILE 39 -8.328 2.161 -1.229 314 HG13 ILE 39 2HG1 ILE 39 -8.526 3.520 -2.330 315 HG21 ILE 39 1HG2 ILE 39 -6.224 3.745 1.194 316 HG22 ILE 39 2HG2 ILE 39 -7.363 2.446 0.841 317 HG23 ILE 39 3HG2 ILE 39 -5.769 2.451 0.086 318 HD11 ILE 39 3HD1 ILE 39 -6.970 2.740 -3.701 319 HD12 ILE 39 1HD1 ILE 39 -5.830 2.478 -2.381 320 HD13 ILE 39 2HD1 ILE 39 -7.031 1.245 -2.768 321 H ALA 40 H ALA 40 -6.373 6.741 -0.362 322 HA ALA 40 HA ALA 40 -5.258 6.775 2.152 323 HB1 ALA 40 3HB ALA 40 -4.743 8.139 -0.049 324 HB2 ALA 40 1HB ALA 40 -5.651 9.392 0.799 325 HB3 ALA 40 2HB ALA 40 -4.202 8.701 1.533 326 H ASP 41 H ASP 41 -7.924 8.852 1.011 327 HA ASP 41 HA ASP 41 -8.434 10.229 3.344 328 HB2 ASP 41 1HB ASP 41 -9.539 10.354 0.961 329 HB3 ASP 41 2HB ASP 41 -10.737 9.282 1.681 330 H GLU 42 H GLU 42 -9.658 7.051 2.363 331 HA GLU 42 HA GLU 42 -11.354 6.649 4.576 332 HB2 GLU 42 1HB GLU 42 -10.082 4.868 2.541 333 HB3 GLU 42 2HB GLU 42 -10.840 4.138 3.949 334 HG2 GLU 42 1HG GLU 42 -12.132 5.870 1.862 335 HG3 GLU 42 2HG GLU 42 -12.438 4.167 2.195 336 H LEU 43 H LEU 43 -7.983 5.709 3.991 337 HA LEU 43 HA LEU 43 -7.493 4.211 6.251 338 HB2 LEU 43 1HB LEU 43 -5.771 6.052 4.636 339 HB3 LEU 43 2HB LEU 43 -5.127 5.245 6.063 340 HG LEU 43 HG LEU 43 -6.350 3.758 3.748 341 HD11 LEU 43 1HD1 LEU 43 -3.955 3.268 3.147 342 HD12 LEU 43 2HD1 LEU 43 -3.499 4.595 4.215 343 HD13 LEU 43 3HD1 LEU 43 -4.509 4.906 2.803 344 HD21 LEU 43 3HD2 LEU 43 -4.640 2.053 4.849 345 HD22 LEU 43 1HD2 LEU 43 -6.295 2.230 5.432 346 HD23 LEU 43 2HD2 LEU 43 -4.973 3.037 6.275 347 H GLY 44 H GLY 44 -7.554 7.723 5.905 348 HA2 GLY 44 1HA GLY 44 -8.446 8.861 7.950 349 HA3 GLY 44 2HA GLY 44 -7.246 7.933 8.837 350 H ASN 45 H ASN 45 -4.978 8.373 8.398 351 HA ASN 45 HA ASN 45 -4.580 11.215 7.800 352 HB2 ASN 45 1HB ASN 45 -3.698 10.717 9.925 353 HB3 ASN 45 2HB ASN 45 -3.003 9.194 9.377 354 HD21 ASN 45 1HD2 ASN 45 -1.015 9.859 10.288 355 HD22 ASN 45 2HD2 ASN 45 0.004 10.985 9.465 356 H ARG 46 H ARG 46 -3.584 8.000 6.827 357 HA ARG 46 HA ARG 46 -1.378 8.510 5.270 358 HB2 ARG 46 1HB ARG 46 -3.640 6.557 4.883 359 HB3 ARG 46 2HB ARG 46 -2.238 6.587 3.822 360 HG2 ARG 46 1HG ARG 46 -2.136 6.173 6.803 361 HG3 ARG 46 2HG ARG 46 -2.070 4.889 5.593 362 HD2 ARG 46 1HD ARG 46 0.168 5.243 6.063 363 HD3 ARG 46 2HD ARG 46 -0.080 6.241 4.631 364 HE ARG 46 HE ARG 46 0.369 8.089 5.896 365 HH11 ARG 46 1HH1 ARG 46 -0.393 5.433 8.013 366 HH12 ARG 46 2HH1 ARG 46 0.014 6.297 9.458 367 HH21 ARG 46 1HH2 ARG 46 0.908 9.238 7.791 368 HH22 ARG 46 2HH2 ARG 46 0.753 8.462 9.331 369 H THR 47 H THR 47 -1.011 9.101 3.139 370 HA THR 47 HA THR 47 -3.269 10.454 1.811 371 HB THR 47 HB THR 47 -1.774 12.069 0.906 372 HG1 THR 47 1HG THR 47 0.490 10.969 2.147 373 HG21 THR 47 3HG2 THR 47 -2.395 12.531 3.201 374 HG22 THR 47 1HG2 THR 47 -0.732 13.049 2.928 375 HG23 THR 47 2HG2 THR 47 -1.057 11.546 3.793 376 H ALA 48 H ALA 48 -3.136 10.561 -0.560 377 HA ALA 48 HA ALA 48 -3.191 8.239 -1.873 378 HB1 ALA 48 3HB ALA 48 -2.641 9.420 -3.949 379 HB2 ALA 48 1HB ALA 48 -3.741 10.356 -2.936 380 HB3 ALA 48 2HB ALA 48 -2.030 10.781 -3.009 381 H LYS 49 H LYS 49 -0.216 10.189 -1.623 382 HA LYS 49 HA LYS 49 1.494 8.419 -2.925 383 HB2 LYS 49 1HB LYS 49 1.842 10.631 -0.967 384 HB3 LYS 49 2HB LYS 49 3.206 9.547 -1.209 385 HG2 LYS 49 1HG LYS 49 1.874 10.669 -3.613 386 HG3 LYS 49 2HG LYS 49 2.892 11.737 -2.644 387 HD2 LYS 49 1HD LYS 49 4.809 10.515 -3.076 388 HD3 LYS 49 2HD LYS 49 3.909 9.044 -3.453 389 HE2 LYS 49 1HE LYS 49 4.840 9.952 -5.482 390 HE3 LYS 49 2HE LYS 49 3.086 10.124 -5.519 391 HZ1 LYS 49 3HZ LYS 49 4.974 12.285 -4.754 392 HZ2 LYS 49 1HZ LYS 49 3.297 12.427 -4.931 393 HZ3 LYS 49 2HZ LYS 49 4.268 12.122 -6.282 394 H GLN 50 H GLN 50 1.480 8.915 0.605 395 HA GLN 50 HA GLN 50 2.943 6.841 1.460 396 HB2 GLN 50 1HB GLN 50 0.301 7.714 2.640 397 HB3 GLN 50 2HB GLN 50 1.482 6.711 3.472 398 HG2 GLN 50 1HG GLN 50 1.845 9.555 2.563 399 HG3 GLN 50 2HG GLN 50 1.688 8.979 4.222 400 HE21 GLN 50 1HE2 GLN 50 3.840 10.402 2.608 401 HE22 GLN 50 2HE2 GLN 50 5.277 9.512 2.965 402 H VAL 51 H VAL 51 -0.367 6.610 0.274 403 HA VAL 51 HA VAL 51 -0.664 3.833 0.889 404 HB VAL 51 HB VAL 51 -2.232 5.550 -1.042 405 HG11 VAL 51 1HG1 VAL 51 -3.699 3.843 -1.353 406 HG12 VAL 51 2HG1 VAL 51 -2.240 2.888 -1.079 407 HG13 VAL 51 3HG1 VAL 51 -3.391 3.140 0.234 408 HG21 VAL 51 3HG2 VAL 51 -2.378 6.446 1.188 409 HG22 VAL 51 1HG2 VAL 51 -3.894 5.631 0.802 410 HG23 VAL 51 2HG2 VAL 51 -2.714 4.847 1.852 411 H ALA 52 H ALA 52 -0.025 5.647 -2.102 412 HA ALA 52 HA ALA 52 0.090 3.485 -3.858 413 HB1 ALA 52 3HB ALA 52 1.863 5.172 -4.982 414 HB2 ALA 52 1HB ALA 52 0.114 5.380 -5.076 415 HB3 ALA 52 2HB ALA 52 1.046 6.271 -3.871 416 H SER 53 H SER 53 2.654 4.973 -1.910 417 HA SER 53 HA SER 53 4.711 3.258 -2.889 418 HB2 SER 53 1HB SER 53 4.923 5.583 -1.748 419 HB3 SER 53 2HB SER 53 4.844 4.674 -0.239 420 HG SER 53 HG SER 53 6.984 4.853 -0.799 421 H GLN 54 H GLN 54 2.157 2.776 -0.755 422 HA GLN 54 HA GLN 54 3.523 0.773 0.855 423 HB2 GLN 54 1HB GLN 54 1.726 2.425 1.699 424 HB3 GLN 54 2HB GLN 54 0.573 1.348 0.922 425 HG2 GLN 54 1HG GLN 54 0.720 0.792 3.243 426 HG3 GLN 54 2HG GLN 54 1.437 -0.510 2.297 427 HE21 GLN 54 1HE2 GLN 54 2.073 -0.527 4.841 428 HE22 GLN 54 2HE2 GLN 54 3.678 0.049 5.116 429 H VAL 55 H VAL 55 1.362 0.992 -1.862 430 HA VAL 55 HA VAL 55 0.519 -1.743 -1.809 431 HB VAL 55 HB VAL 55 0.437 0.277 -4.054 432 HG11 VAL 55 1HG1 VAL 55 -0.540 -1.235 -5.394 433 HG12 VAL 55 2HG1 VAL 55 0.224 -2.422 -4.335 434 HG13 VAL 55 3HG1 VAL 55 -1.457 -1.959 -4.073 435 HG21 VAL 55 3HG2 VAL 55 -1.680 -0.612 -2.097 436 HG22 VAL 55 1HG2 VAL 55 -0.882 0.961 -2.133 437 HG23 VAL 55 2HG2 VAL 55 -1.941 0.478 -3.459 438 H GLN 56 H GLN 56 2.915 0.092 -3.681 439 HA GLN 56 HA GLN 56 3.804 -1.720 -5.482 440 HB2 GLN 56 1HB GLN 56 5.996 -0.683 -5.358 441 HB3 GLN 56 2HB GLN 56 4.746 0.543 -5.202 442 HG2 GLN 56 1HG GLN 56 5.076 0.598 -2.795 443 HG3 GLN 56 2HG GLN 56 6.300 -0.664 -2.925 444 HE21 GLN 56 1HE2 GLN 56 8.219 -0.161 -4.189 445 HE22 GLN 56 2HE2 GLN 56 8.803 1.465 -4.215 446 H LYS 57 H LYS 57 4.751 -1.606 -2.063 447 HA LYS 57 HA LYS 57 6.414 -3.932 -2.257 448 HB2 LYS 57 1HB LYS 57 5.349 -2.344 0.075 449 HB3 LYS 57 2HB LYS 57 6.343 -3.780 0.286 450 HG2 LYS 57 1HG LYS 57 8.233 -2.761 -0.541 451 HG3 LYS 57 2HG LYS 57 7.314 -1.566 -1.460 452 HD2 LYS 57 1HD LYS 57 6.853 -0.287 0.447 453 HD3 LYS 57 2HD LYS 57 7.257 -1.612 1.541 454 HE2 LYS 57 1HE LYS 57 9.567 -1.370 1.142 455 HE3 LYS 57 2HE LYS 57 9.296 -0.355 -0.273 456 HZ1 LYS 57 3HZ LYS 57 8.187 1.213 1.434 457 HZ2 LYS 57 1HZ LYS 57 9.875 1.169 1.329 458 HZ3 LYS 57 2HZ LYS 57 9.083 0.346 2.576 459 H TYR 58 H TYR 58 3.215 -3.268 -0.853 460 HA TYR 58 HA TYR 58 2.543 -5.629 0.273 461 HB2 TYR 58 1HB TYR 58 0.978 -3.621 -1.271 462 HB3 TYR 58 2HB TYR 58 0.193 -5.151 -0.896 463 HD1 TYR 58 1HD TYR 58 2.672 -3.943 1.452 464 HD2 TYR 58 2HD TYR 58 -1.459 -3.853 0.437 465 HE1 TYR 58 1HE TYR 58 2.142 -3.114 3.707 466 HE2 TYR 58 2HE TYR 58 -2.000 -3.023 2.688 467 HH TYR 58 HH TYR 58 0.545 -2.272 5.031 468 H PHE 59 H PHE 59 3.122 -5.067 -3.084 469 HA PHE 59 HA PHE 59 2.271 -7.822 -3.694 470 HB2 PHE 59 1HB PHE 59 2.444 -5.432 -5.542 471 HB3 PHE 59 2HB PHE 59 2.039 -7.069 -6.048 472 HD1 PHE 59 2HD PHE 59 0.945 -4.713 -3.363 473 HD2 PHE 59 1HD PHE 59 -0.182 -7.411 -6.455 474 HE1 PHE 59 2HE PHE 59 -1.426 -4.268 -2.881 475 HE2 PHE 59 1HE PHE 59 -2.556 -6.970 -5.979 476 HZ PHE 59 HZ PHE 59 -3.180 -5.398 -4.189 477 H ILE 60 H ILE 60 4.750 -5.365 -4.202 478 HA ILE 60 HA ILE 60 6.484 -7.224 -5.594 479 HB ILE 60 HB ILE 60 7.102 -4.428 -4.635 480 HG12 ILE 60 1HG1 ILE 60 6.395 -5.207 -7.455 481 HG13 ILE 60 2HG1 ILE 60 5.150 -4.754 -6.296 482 HG21 ILE 60 1HG2 ILE 60 8.575 -6.461 -6.199 483 HG22 ILE 60 2HG2 ILE 60 8.694 -4.790 -6.747 484 HG23 ILE 60 3HG2 ILE 60 9.175 -5.216 -5.105 485 HD11 ILE 60 3HD1 ILE 60 5.925 -2.564 -6.145 486 HD12 ILE 60 1HD1 ILE 60 7.492 -2.973 -6.845 487 HD13 ILE 60 2HD1 ILE 60 6.050 -2.954 -7.861 488 H LYS 61 H LYS 61 5.660 -7.666 -2.756 489 HA LYS 61 HA LYS 61 8.370 -7.905 -1.630 490 HB2 LYS 61 1HB LYS 61 7.248 -6.162 -0.396 491 HB3 LYS 61 2HB LYS 61 5.821 -7.169 -0.183 492 HG2 LYS 61 1HG LYS 61 8.402 -8.191 0.863 493 HG3 LYS 61 2HG LYS 61 7.624 -6.861 1.724 494 HD2 LYS 61 1HD LYS 61 5.610 -8.162 2.001 495 HD3 LYS 61 2HD LYS 61 6.275 -9.465 1.013 496 HE2 LYS 61 1HE LYS 61 6.609 -10.218 3.187 497 HE3 LYS 61 2HE LYS 61 8.171 -9.523 2.756 498 HZ1 LYS 61 3HZ LYS 61 6.201 -7.798 4.069 499 HZ2 LYS 61 1HZ LYS 61 7.890 -7.778 4.169 500 HZ3 LYS 61 2HZ LYS 61 7.006 -8.947 5.014 501 H LEU 62 H LEU 62 5.201 -9.275 -2.090 502 HA LEU 62 HA LEU 62 5.706 -11.614 -0.493 503 HB2 LEU 62 1HB LEU 62 3.582 -12.415 -1.346 504 HB3 LEU 62 2HB LEU 62 3.445 -10.753 -0.776 505 HG LEU 62 HG LEU 62 3.756 -10.138 -3.281 506 HD11 LEU 62 1HD1 LEU 62 4.351 -12.245 -4.187 507 HD12 LEU 62 2HD1 LEU 62 2.715 -11.897 -4.745 508 HD13 LEU 62 3HD1 LEU 62 2.971 -13.039 -3.427 509 HD21 LEU 62 3HD2 LEU 62 1.597 -9.621 -3.142 510 HD22 LEU 62 1HD2 LEU 62 1.561 -10.507 -1.618 511 HD23 LEU 62 2HD2 LEU 62 1.122 -11.320 -3.120 512 H THR 63 H THR 63 7.239 -10.719 -3.091 513 HA THR 63 HA THR 63 6.942 -13.037 -4.785 514 HB THR 63 HB THR 63 7.504 -10.859 -5.773 515 HG1 THR 63 1HG THR 63 9.525 -11.705 -6.871 516 HG21 THR 63 3HG2 THR 63 8.994 -10.243 -3.751 517 HG22 THR 63 1HG2 THR 63 9.483 -9.698 -5.355 518 HG23 THR 63 2HG2 THR 63 10.265 -11.100 -4.624 519 H LYS 64 H LYS 64 7.597 -13.751 -2.151 520 HA LYS 64 HA LYS 64 9.035 -15.020 -0.922 521 HB2 LYS 64 1HB LYS 64 10.022 -15.767 -3.681 522 HB3 LYS 64 2HB LYS 64 10.400 -16.643 -2.203 523 HG2 LYS 64 1HG LYS 64 7.590 -16.223 -3.179 524 HG3 LYS 64 2HG LYS 64 8.574 -17.616 -3.633 525 HD2 LYS 64 1HD LYS 64 8.775 -18.278 -1.318 526 HD3 LYS 64 2HD LYS 64 7.924 -16.823 -0.794 527 HE2 LYS 64 1HE LYS 64 6.393 -18.672 -0.747 528 HE3 LYS 64 2HE LYS 64 5.937 -17.595 -2.066 529 HZ1 LYS 64 3HZ LYS 64 7.298 -19.142 -3.522 530 HZ2 LYS 64 1HZ LYS 64 5.817 -19.734 -2.956 531 HZ3 LYS 64 2HZ LYS 64 7.261 -20.233 -2.230 532 H ALA 65 H ALA 65 9.828 -12.293 -1.446 533 HA ALA 65 HA ALA 65 11.686 -10.916 -1.552 534 HB1 ALA 65 3HB ALA 65 13.211 -12.434 0.366 535 HB2 ALA 65 1HB ALA 65 12.371 -10.894 0.561 536 HB3 ALA 65 2HB ALA 65 11.500 -12.411 0.793 537 H GLY 66 H GLY 66 11.873 -12.683 -3.674 538 HA2 GLY 66 1HA GLY 66 14.689 -13.555 -3.631 539 HA3 GLY 66 2HA GLY 66 13.457 -14.183 -4.715 540 H ILE 67 H ILE 67 14.015 -10.783 -3.978 541 HA ILE 67 HA ILE 67 15.366 -10.351 -6.511 542 HB ILE 67 HB ILE 67 12.681 -9.092 -5.937 543 HG12 ILE 67 1HG1 ILE 67 13.551 -10.895 -8.206 544 HG13 ILE 67 2HG1 ILE 67 12.619 -11.425 -6.809 545 HG21 ILE 67 1HG2 ILE 67 12.954 -7.728 -7.810 546 HG22 ILE 67 2HG2 ILE 67 14.516 -7.645 -6.996 547 HG23 ILE 67 3HG2 ILE 67 14.315 -8.672 -8.415 548 HD11 ILE 67 3HD1 ILE 67 11.770 -9.490 -8.946 549 HD12 ILE 67 1HD1 ILE 67 11.119 -11.097 -8.622 550 HD13 ILE 67 2HD1 ILE 67 10.857 -9.790 -7.467 551 HA PRO 68 HA PRO 68 17.330 -7.265 -4.045 552 HB2 PRO 68 1HB PRO 68 18.543 -5.886 -6.044 553 HB3 PRO 68 2HB PRO 68 19.105 -7.468 -5.490 554 HG2 PRO 68 1HG PRO 68 17.417 -6.782 -7.866 555 HG3 PRO 68 2HG PRO 68 18.769 -7.924 -7.746 556 HD2 PRO 68 1HD PRO 68 16.181 -8.720 -7.701 557 HD3 PRO 68 2HD PRO 68 17.458 -9.572 -6.808 558 H VAL 69 H VAL 69 16.383 -5.563 -3.133 559 HA VAL 69 HA VAL 69 14.534 -3.923 -4.682 560 HB VAL 69 HB VAL 69 15.131 -3.926 -1.720 561 HG11 VAL 69 1HG1 VAL 69 12.791 -2.606 -3.059 562 HG12 VAL 69 2HG1 VAL 69 13.398 -2.380 -1.418 563 HG13 VAL 69 3HG1 VAL 69 14.310 -1.753 -2.791 564 HG21 VAL 69 3HG2 VAL 69 12.658 -4.916 -3.124 565 HG22 VAL 69 1HG2 VAL 69 14.008 -5.964 -2.689 566 HG23 VAL 69 2HG2 VAL 69 13.103 -5.124 -1.430 567 H SER 70 H SER 70 17.130 -3.289 -2.313 568 HA SER 70 HA SER 70 17.559 -0.674 -3.558 569 HB2 SER 70 1HB SER 70 17.272 -1.008 -1.021 570 HB3 SER 70 2HB SER 70 18.907 -1.668 -1.052 571 HG SER 70 HG SER 70 18.140 0.892 -1.051 572 H GLY 71 H GLY 71 19.557 -0.008 -4.339 573 HA2 GLY 71 1HA GLY 71 22.018 -1.121 -4.170 574 HA3 GLY 71 2HA GLY 71 21.220 -2.139 -5.359 575 HA PRO 72 HA PRO 72 21.632 2.368 -7.151 576 HB2 PRO 72 1HB PRO 72 23.622 3.834 -6.027 577 HB3 PRO 72 2HB PRO 72 21.951 3.885 -5.455 578 HG2 PRO 72 1HG PRO 72 24.283 2.364 -4.356 579 HG3 PRO 72 2HG PRO 72 23.034 3.277 -3.489 580 HD2 PRO 72 1HD PRO 72 22.974 0.579 -3.717 581 HD3 PRO 72 2HD PRO 72 21.499 1.564 -3.643 582 H SER 73 H SER 73 22.445 1.013 -8.814 583 HA SER 73 HA SER 73 25.304 0.497 -8.911 584 HB2 SER 73 1HB SER 73 23.866 -1.298 -9.654 585 HB3 SER 73 2HB SER 73 23.050 -0.230 -10.795 586 HG SER 73 HG SER 73 25.660 -1.285 -10.904 587 H SER 74 H SER 74 22.874 2.212 -10.863 588 HA SER 74 HA SER 74 24.969 4.060 -11.738 589 HB2 SER 74 1HB SER 74 24.561 2.213 -13.466 590 HB3 SER 74 2HB SER 74 22.977 2.947 -13.712 591 HG SER 74 HG SER 74 24.849 3.652 -15.086 592 H GLY 75 H GLY 75 23.981 5.984 -12.900 593 HA2 GLY 75 1HA GLY 75 22.360 7.634 -13.095 594 HA3 GLY 75 2HA GLY 75 21.210 6.553 -12.322 Start of MODEL 5 1 H1 GLY 1 H GLY 1 11.679 -5.355 6.317 2 HA2 GLY 1 1HA GLY 1 11.842 -8.261 6.453 3 HA3 GLY 1 2HA GLY 1 12.591 -7.510 5.052 4 H SER 2 H SER 2 14.129 -9.008 6.715 5 HA SER 2 HA SER 2 15.437 -7.287 8.643 6 HB2 SER 2 1HB SER 2 15.070 -9.868 8.794 7 HB3 SER 2 2HB SER 2 16.508 -9.957 7.777 8 HG SER 2 HG SER 2 17.195 -10.008 9.880 9 H SER 3 H SER 3 15.539 -6.204 6.091 10 HA SER 3 HA SER 3 18.397 -5.971 5.741 11 HB2 SER 3 1HB SER 3 17.516 -7.933 4.276 12 HB3 SER 3 2HB SER 3 16.832 -6.658 3.267 13 HG SER 3 HG SER 3 19.435 -7.461 3.555 14 H GLY 4 H GLY 4 18.856 -3.899 5.403 15 HA2 GLY 4 1HA GLY 4 18.543 -1.932 3.977 16 HA3 GLY 4 2HA GLY 4 16.812 -2.218 4.089 17 H SER 5 H SER 5 18.474 0.148 4.780 18 HA SER 5 HA SER 5 17.931 0.331 7.663 19 HB2 SER 5 1HB SER 5 20.250 0.873 6.597 20 HB3 SER 5 2HB SER 5 19.484 2.389 6.123 21 HG SER 5 HG SER 5 20.243 2.866 8.077 22 H SER 6 H SER 6 16.474 1.739 8.461 23 HA SER 6 HA SER 6 15.452 3.919 6.856 24 HB2 SER 6 1HB SER 6 13.125 3.199 6.914 25 HB3 SER 6 2HB SER 6 14.101 1.977 6.098 26 HG SER 6 HG SER 6 12.723 0.983 7.574 27 H GLY 7 H GLY 7 14.512 5.531 8.070 28 HA2 GLY 7 1HA GLY 7 14.506 5.068 10.990 29 HA3 GLY 7 2HA GLY 7 14.997 6.583 10.248 30 H ASN 8 H ASN 8 12.182 4.439 9.821 31 HA ASN 8 HA ASN 8 10.415 6.507 10.830 32 HB2 ASN 8 1HB ASN 8 10.608 5.763 7.948 33 HB3 ASN 8 2HB ASN 8 9.007 6.069 8.616 34 HD21 ASN 8 1HD2 ASN 8 9.748 7.687 6.681 35 HD22 ASN 8 2HD2 ASN 8 10.193 9.246 7.278 36 H GLN 9 H GLN 9 9.045 5.501 12.131 37 HA GLN 9 HA GLN 9 8.754 2.848 12.572 38 HB2 GLN 9 1HB GLN 9 7.737 4.546 14.000 39 HB3 GLN 9 2HB GLN 9 6.565 4.926 12.745 40 HG2 GLN 9 1HG GLN 9 5.374 2.984 13.077 41 HG3 GLN 9 2HG GLN 9 6.744 2.144 13.801 42 HE21 GLN 9 1HE2 GLN 9 3.872 3.712 14.400 43 HE22 GLN 9 2HE2 GLN 9 4.053 3.969 16.098 44 H LEU 10 H LEU 10 7.947 1.138 11.543 45 HA LEU 10 HA LEU 10 6.910 1.377 8.907 46 HB2 LEU 10 1HB LEU 10 7.487 -0.836 10.794 47 HB3 LEU 10 2HB LEU 10 6.366 -1.168 9.476 48 HG LEU 10 HG LEU 10 9.198 -0.180 9.141 49 HD11 LEU 10 1HD1 LEU 10 8.048 -2.926 8.665 50 HD12 LEU 10 2HD1 LEU 10 9.075 -2.473 10.026 51 HD13 LEU 10 3HD1 LEU 10 9.713 -2.417 8.383 52 HD21 LEU 10 3HD2 LEU 10 8.392 0.459 7.149 53 HD22 LEU 10 1HD2 LEU 10 6.921 -0.498 7.326 54 HD23 LEU 10 2HD2 LEU 10 8.409 -1.264 6.770 55 H TRP 11 H TRP 11 4.848 0.548 8.159 56 HA TRP 11 HA TRP 11 2.646 1.729 9.248 57 HB2 TRP 11 1HB TRP 11 3.006 -0.624 7.447 58 HB3 TRP 11 2HB TRP 11 1.395 -0.295 8.076 59 HD1 TRP 11 HD TRP 11 4.130 2.025 6.559 60 HE1 TRP 11 1HE TRP 11 3.003 3.501 4.777 61 HE3 TRP 11 3HE TRP 11 -0.631 0.189 6.878 62 HZ2 TRP 11 2HZ TRP 11 0.435 3.843 3.656 63 HZ3 TRP 11 3HZ TRP 11 -2.364 1.145 5.416 64 HH2 TRP 11 HH TRP 11 -1.840 2.935 3.840 65 H THR 12 H THR 12 0.909 1.076 10.547 66 HA THR 12 HA THR 12 1.617 -0.988 12.508 67 HB THR 12 HB THR 12 1.151 1.226 13.437 68 HG1 THR 12 1HG THR 12 0.391 -0.857 14.452 69 HG21 THR 12 3HG2 THR 12 -1.715 1.235 13.008 70 HG22 THR 12 1HG2 THR 12 -0.829 1.349 11.488 71 HG23 THR 12 2HG2 THR 12 -0.539 2.526 12.768 72 H VAL 13 H VAL 13 0.140 -2.582 13.144 73 HA VAL 13 HA VAL 13 -1.228 -3.972 11.272 74 HB VAL 13 HB VAL 13 -2.007 -3.716 14.179 75 HG11 VAL 13 1HG1 VAL 13 -3.491 -4.888 12.188 76 HG12 VAL 13 2HG1 VAL 13 -2.566 -6.243 12.838 77 HG13 VAL 13 3HG1 VAL 13 -3.585 -5.276 13.905 78 HG21 VAL 13 3HG2 VAL 13 0.241 -4.908 12.867 79 HG22 VAL 13 1HG2 VAL 13 -0.124 -4.818 14.590 80 HG23 VAL 13 2HG2 VAL 13 -0.734 -6.165 13.629 81 H GLU 14 H GLU 14 -2.743 -1.611 13.475 82 HA GLU 14 HA GLU 14 -5.332 -1.687 12.690 83 HB2 GLU 14 1HB GLU 14 -3.594 0.662 13.397 84 HB3 GLU 14 2HB GLU 14 -5.298 0.876 13.020 85 HG2 GLU 14 1HG GLU 14 -4.313 -1.004 15.145 86 HG3 GLU 14 2HG GLU 14 -4.723 0.682 15.456 87 H GLU 15 H GLU 15 -2.659 -0.262 10.906 88 HA GLU 15 HA GLU 15 -4.446 0.684 8.809 89 HB2 GLU 15 1HB GLU 15 -1.468 0.919 9.230 90 HB3 GLU 15 2HB GLU 15 -2.269 1.470 7.765 91 HG2 GLU 15 1HG GLU 15 -3.261 3.240 8.801 92 HG3 GLU 15 2HG GLU 15 -3.304 2.440 10.371 93 H GLN 16 H GLN 16 -1.600 -1.451 9.053 94 HA GLN 16 HA GLN 16 -1.502 -2.443 6.510 95 HB2 GLN 16 1HB GLN 16 -0.984 -3.795 9.149 96 HB3 GLN 16 2HB GLN 16 -0.706 -4.615 7.618 97 HG2 GLN 16 1HG GLN 16 0.856 -2.826 6.973 98 HG3 GLN 16 2HG GLN 16 0.613 -2.075 8.549 99 HE21 GLN 16 1HE2 GLN 16 0.826 -3.861 10.371 100 HE22 GLN 16 2HE2 GLN 16 2.292 -4.770 10.283 101 H LYS 17 H LYS 17 -3.854 -3.144 8.978 102 HA LYS 17 HA LYS 17 -4.992 -5.375 7.516 103 HB2 LYS 17 1HB LYS 17 -6.462 -5.651 9.354 104 HB3 LYS 17 2HB LYS 17 -4.902 -5.222 10.044 105 HG2 LYS 17 1HG LYS 17 -5.933 -2.782 9.883 106 HG3 LYS 17 2HG LYS 17 -7.439 -3.696 9.985 107 HD2 LYS 17 1HD LYS 17 -5.141 -3.787 11.939 108 HD3 LYS 17 2HD LYS 17 -6.719 -3.041 12.203 109 HE2 LYS 17 1HE LYS 17 -7.548 -5.485 11.582 110 HE3 LYS 17 2HE LYS 17 -5.943 -5.909 12.175 111 HZ1 LYS 17 3HZ LYS 17 -6.440 -4.831 14.258 112 HZ2 LYS 17 1HZ LYS 17 -7.636 -5.979 13.921 113 HZ3 LYS 17 2HZ LYS 17 -7.954 -4.334 13.690 114 H LYS 18 H LYS 18 -5.480 -1.964 7.857 115 HA LYS 18 HA LYS 18 -8.160 -1.962 6.806 116 HB2 LYS 18 1HB LYS 18 -6.970 -0.207 8.348 117 HB3 LYS 18 2HB LYS 18 -6.393 0.458 6.826 118 HG2 LYS 18 1HG LYS 18 -8.535 1.025 6.118 119 HG3 LYS 18 2HG LYS 18 -9.306 -0.069 7.269 120 HD2 LYS 18 1HD LYS 18 -8.373 1.398 9.101 121 HD3 LYS 18 2HD LYS 18 -7.928 2.549 7.838 122 HE2 LYS 18 1HE LYS 18 -10.025 3.251 8.694 123 HE3 LYS 18 2HE LYS 18 -10.339 2.524 7.119 124 HZ1 LYS 18 3HZ LYS 18 -11.726 1.913 9.280 125 HZ2 LYS 18 1HZ LYS 18 -10.500 0.756 9.427 126 HZ3 LYS 18 2HZ LYS 18 -11.454 0.804 8.032 127 H LEU 19 H LEU 19 -4.949 -1.070 5.568 128 HA LEU 19 HA LEU 19 -5.709 -0.243 3.024 129 HB2 LEU 19 1HB LEU 19 -3.497 0.176 3.728 130 HB3 LEU 19 2HB LEU 19 -3.198 -1.530 4.054 131 HG LEU 19 HG LEU 19 -3.256 -1.973 1.626 132 HD11 LEU 19 1HD1 LEU 19 -3.218 1.001 1.222 133 HD12 LEU 19 2HD1 LEU 19 -4.712 0.066 1.164 134 HD13 LEU 19 3HD1 LEU 19 -3.414 -0.275 0.020 135 HD21 LEU 19 3HD2 LEU 19 -1.148 -1.469 2.859 136 HD22 LEU 19 1HD2 LEU 19 -1.301 0.208 2.333 137 HD23 LEU 19 2HD2 LEU 19 -1.093 -1.074 1.140 138 H GLU 20 H GLU 20 -4.489 -3.464 3.964 139 HA GLU 20 HA GLU 20 -4.712 -4.814 1.621 140 HB2 GLU 20 1HB GLU 20 -5.381 -5.742 4.410 141 HB3 GLU 20 2HB GLU 20 -5.348 -6.834 3.033 142 HG2 GLU 20 1HG GLU 20 -3.019 -5.156 3.933 143 HG3 GLU 20 2HG GLU 20 -3.271 -6.844 4.374 144 H GLN 21 H GLN 21 -7.344 -3.943 3.795 145 HA GLN 21 HA GLN 21 -9.338 -5.375 2.312 146 HB2 GLN 21 1HB GLN 21 -9.354 -3.467 4.614 147 HB3 GLN 21 2HB GLN 21 -10.857 -3.783 3.758 148 HG2 GLN 21 1HG GLN 21 -9.236 -6.105 4.647 149 HG3 GLN 21 2HG GLN 21 -10.128 -5.190 5.861 150 HE21 GLN 21 1HE2 GLN 21 -12.452 -4.820 5.360 151 HE22 GLN 21 2HE2 GLN 21 -13.326 -6.114 4.620 152 H LEU 22 H LEU 22 -8.669 -1.904 2.788 153 HA LEU 22 HA LEU 22 -10.539 -0.848 1.073 154 HB2 LEU 22 1HB LEU 22 -7.781 0.043 1.827 155 HB3 LEU 22 2HB LEU 22 -8.750 0.975 0.687 156 HG LEU 22 HG LEU 22 -9.781 0.293 3.424 157 HD11 LEU 22 1HD1 LEU 22 -8.742 2.075 4.410 158 HD12 LEU 22 2HD1 LEU 22 -8.503 2.925 2.884 159 HD13 LEU 22 3HD1 LEU 22 -7.476 1.553 3.299 160 HD21 LEU 22 3HD2 LEU 22 -10.925 1.478 1.205 161 HD22 LEU 22 1HD2 LEU 22 -10.474 2.844 2.225 162 HD23 LEU 22 2HD2 LEU 22 -11.517 1.573 2.864 163 H LEU 23 H LEU 23 -7.481 -2.369 0.302 164 HA LEU 23 HA LEU 23 -7.134 -1.546 -2.325 165 HB2 LEU 23 1HB LEU 23 -6.426 -4.048 -0.849 166 HB3 LEU 23 2HB LEU 23 -6.111 -3.921 -2.578 167 HG LEU 23 HG LEU 23 -5.018 -2.009 -0.518 168 HD11 LEU 23 1HD1 LEU 23 -4.301 -4.599 -0.646 169 HD12 LEU 23 2HD1 LEU 23 -3.191 -3.295 -0.225 170 HD13 LEU 23 3HD1 LEU 23 -3.231 -3.920 -1.873 171 HD21 LEU 23 3HD2 LEU 23 -5.040 -2.101 -3.419 172 HD22 LEU 23 1HD2 LEU 23 -3.405 -2.030 -2.760 173 HD23 LEU 23 2HD2 LEU 23 -4.584 -0.789 -2.331 174 H ILE 24 H ILE 24 -9.093 -4.202 -1.044 175 HA ILE 24 HA ILE 24 -9.932 -5.143 -3.602 176 HB ILE 24 HB ILE 24 -11.180 -5.587 -0.888 177 HG12 ILE 24 1HG1 ILE 24 -9.568 -7.624 -2.372 178 HG13 ILE 24 2HG1 ILE 24 -8.729 -6.355 -1.486 179 HG21 ILE 24 1HG2 ILE 24 -12.606 -5.961 -2.984 180 HG22 ILE 24 2HG2 ILE 24 -11.539 -7.327 -3.303 181 HG23 ILE 24 3HG2 ILE 24 -12.492 -7.281 -1.820 182 HD11 ILE 24 3HD1 ILE 24 -10.829 -7.660 0.056 183 HD12 ILE 24 1HD1 ILE 24 -9.536 -8.745 -0.456 184 HD13 ILE 24 2HD1 ILE 24 -9.156 -7.301 0.484 185 H LYS 25 H LYS 25 -11.533 -3.216 -1.073 186 HA LYS 25 HA LYS 25 -13.968 -2.814 -2.345 187 HB2 LYS 25 1HB LYS 25 -13.575 -2.201 -0.014 188 HB3 LYS 25 2HB LYS 25 -12.466 -0.932 -0.516 189 HG2 LYS 25 1HG LYS 25 -15.237 -0.863 -1.578 190 HG3 LYS 25 2HG LYS 25 -14.974 -0.422 0.111 191 HD2 LYS 25 1HD LYS 25 -13.703 1.425 -0.431 192 HD3 LYS 25 2HD LYS 25 -13.235 0.771 -2.002 193 HE2 LYS 25 1HE LYS 25 -16.099 1.425 -1.463 194 HE3 LYS 25 2HE LYS 25 -14.967 2.722 -1.844 195 HZ1 LYS 25 3HZ LYS 25 -16.295 1.345 -3.687 196 HZ2 LYS 25 1HZ LYS 25 -14.884 0.414 -3.603 197 HZ3 LYS 25 2HZ LYS 25 -14.789 2.062 -3.972 198 H TYR 26 H TYR 26 -10.945 -1.007 -2.642 199 HA TYR 26 HA TYR 26 -12.156 0.613 -4.773 200 HB2 TYR 26 1HB TYR 26 -9.755 1.033 -3.007 201 HB3 TYR 26 2HB TYR 26 -9.983 1.964 -4.483 202 HD1 TYR 26 1HD TYR 26 -12.208 3.254 -4.714 203 HD2 TYR 26 2HD TYR 26 -10.746 1.735 -1.018 204 HE1 TYR 26 1HE TYR 26 -13.654 4.831 -3.501 205 HE2 TYR 26 2HE TYR 26 -12.190 3.306 0.205 206 HH TYR 26 HH TYR 26 -14.199 4.603 -0.130 207 HA PRO 27 HA PRO 27 -9.744 -2.364 -7.249 208 HB2 PRO 27 1HB PRO 27 -11.293 -2.086 -9.461 209 HB3 PRO 27 2HB PRO 27 -11.715 -3.160 -8.122 210 HG2 PRO 27 1HG PRO 27 -12.713 -0.403 -8.725 211 HG3 PRO 27 2HG PRO 27 -13.621 -1.829 -8.189 212 HD2 PRO 27 1HD PRO 27 -12.889 0.153 -6.496 213 HD3 PRO 27 2HD PRO 27 -13.014 -1.542 -5.984 214 HA PRO 28 HA PRO 28 -7.286 0.374 -9.656 215 HB2 PRO 28 1HB PRO 28 -6.795 -1.055 -11.911 216 HB3 PRO 28 2HB PRO 28 -6.070 -1.448 -10.348 217 HG2 PRO 28 1HG PRO 28 -8.439 -2.680 -11.701 218 HG3 PRO 28 2HG PRO 28 -7.111 -3.470 -10.833 219 HD2 PRO 28 1HD PRO 28 -9.538 -3.050 -9.709 220 HD3 PRO 28 2HD PRO 28 -8.034 -3.035 -8.766 221 H GLU 29 H GLU 29 -7.163 1.674 -11.600 222 HA GLU 29 HA GLU 29 -9.388 1.623 -13.444 223 HB2 GLU 29 1HB GLU 29 -9.997 4.008 -12.971 224 HB3 GLU 29 2HB GLU 29 -10.439 2.876 -11.700 225 HG2 GLU 29 1HG GLU 29 -8.520 3.556 -10.388 226 HG3 GLU 29 2HG GLU 29 -8.001 4.642 -11.676 227 H GLU 30 H GLU 30 -9.190 3.880 -14.774 228 HA GLU 30 HA GLU 30 -6.811 3.660 -16.232 229 HB2 GLU 30 1HB GLU 30 -7.519 5.770 -17.328 230 HB3 GLU 30 2HB GLU 30 -8.804 4.574 -17.245 231 HG2 GLU 30 1HG GLU 30 -9.449 5.842 -15.058 232 HG3 GLU 30 2HG GLU 30 -8.517 7.151 -15.783 233 H VAL 31 H VAL 31 -7.811 6.076 -13.826 234 HA VAL 31 HA VAL 31 -5.070 7.125 -13.788 235 HB VAL 31 HB VAL 31 -7.622 8.276 -12.656 236 HG11 VAL 31 1HG1 VAL 31 -6.380 10.171 -11.942 237 HG12 VAL 31 2HG1 VAL 31 -5.550 8.748 -11.309 238 HG13 VAL 31 3HG1 VAL 31 -4.912 9.586 -12.724 239 HG21 VAL 31 3HG2 VAL 31 -6.590 8.330 -15.248 240 HG22 VAL 31 1HG2 VAL 31 -7.869 9.350 -14.589 241 HG23 VAL 31 2HG2 VAL 31 -6.196 9.906 -14.562 242 H GLU 32 H GLU 32 -3.912 5.816 -12.466 243 HA GLU 32 HA GLU 32 -4.857 4.543 -10.156 244 HB2 GLU 32 1HB GLU 32 -2.600 3.986 -9.691 245 HB3 GLU 32 2HB GLU 32 -2.742 4.019 -11.443 246 HG2 GLU 32 1HG GLU 32 -1.745 6.369 -9.869 247 HG3 GLU 32 2HG GLU 32 -0.680 5.084 -10.435 248 H SER 33 H SER 33 -3.440 7.718 -10.654 249 HA SER 33 HA SER 33 -2.735 8.518 -8.153 250 HB2 SER 33 1HB SER 33 -2.950 10.716 -8.884 251 HB3 SER 33 2HB SER 33 -2.854 9.840 -10.412 252 HG SER 33 HG SER 33 -4.595 11.421 -10.232 253 H ARG 34 H ARG 34 -6.032 8.552 -9.480 254 HA ARG 34 HA ARG 34 -7.263 9.555 -7.139 255 HB2 ARG 34 1HB ARG 34 -8.554 7.835 -9.259 256 HB3 ARG 34 2HB ARG 34 -9.351 8.967 -8.174 257 HG2 ARG 34 1HG ARG 34 -8.665 10.804 -9.361 258 HG3 ARG 34 2HG ARG 34 -7.251 9.981 -10.024 259 HD2 ARG 34 1HD ARG 34 -8.595 10.049 -11.877 260 HD3 ARG 34 2HD ARG 34 -9.071 8.493 -11.197 261 HE ARG 34 HE ARG 34 -10.826 10.208 -10.072 262 HH11 ARG 34 1HH1 ARG 34 -9.834 9.636 -13.359 263 HH12 ARG 34 2HH1 ARG 34 -11.364 10.086 -14.037 264 HH21 ARG 34 1HH2 ARG 34 -12.844 10.804 -10.952 265 HH22 ARG 34 2HH2 ARG 34 -13.075 10.751 -12.667 266 H ARG 35 H ARG 35 -6.865 6.260 -8.402 267 HA ARG 35 HA ARG 35 -8.305 4.796 -6.608 268 HB2 ARG 35 1HB ARG 35 -7.184 3.692 -8.408 269 HB3 ARG 35 2HB ARG 35 -5.607 4.198 -7.817 270 HG2 ARG 35 1HG ARG 35 -6.058 2.804 -5.767 271 HG3 ARG 35 2HG ARG 35 -7.457 2.155 -6.625 272 HD2 ARG 35 1HD ARG 35 -6.048 1.293 -8.374 273 HD3 ARG 35 2HD ARG 35 -4.631 2.072 -7.670 274 HE ARG 35 HE ARG 35 -5.446 0.482 -5.671 275 HH11 ARG 35 1HH1 ARG 35 -4.926 -0.122 -9.059 276 HH12 ARG 35 2HH1 ARG 35 -4.484 -1.781 -8.830 277 HH21 ARG 35 1HH2 ARG 35 -4.866 -1.701 -5.355 278 HH22 ARG 35 2HH2 ARG 35 -4.451 -2.679 -6.722 279 H TRP 36 H TRP 36 -4.998 6.008 -6.150 280 HA TRP 36 HA TRP 36 -4.737 4.933 -3.520 281 HB2 TRP 36 1HB TRP 36 -3.145 7.230 -4.658 282 HB3 TRP 36 2HB TRP 36 -2.651 6.074 -3.425 283 HD1 TRP 36 HD TRP 36 -1.752 6.796 -6.753 284 HE1 TRP 36 1HE TRP 36 -1.001 4.720 -8.077 285 HE3 TRP 36 3HE TRP 36 -3.659 3.158 -3.709 286 HZ2 TRP 36 2HZ TRP 36 -1.191 1.913 -7.859 287 HZ3 TRP 36 3HZ TRP 36 -3.332 0.803 -4.339 288 HH2 TRP 36 HH TRP 36 -2.123 0.195 -6.371 289 H GLN 37 H GLN 37 -5.993 7.889 -4.848 290 HA GLN 37 HA GLN 37 -5.903 9.425 -2.455 291 HB2 GLN 37 1HB GLN 37 -7.184 9.684 -5.123 292 HB3 GLN 37 2HB GLN 37 -7.878 10.624 -3.808 293 HG2 GLN 37 1HG GLN 37 -4.936 10.707 -4.261 294 HG3 GLN 37 2HG GLN 37 -6.005 11.624 -5.322 295 HE21 GLN 37 1HE2 GLN 37 -4.763 11.279 -2.100 296 HE22 GLN 37 2HE2 GLN 37 -5.318 12.802 -1.502 297 H LYS 38 H LYS 38 -8.503 7.611 -4.068 298 HA LYS 38 HA LYS 38 -10.553 8.128 -2.272 299 HB2 LYS 38 1HB LYS 38 -10.023 5.601 -3.846 300 HB3 LYS 38 2HB LYS 38 -11.548 5.996 -3.063 301 HG2 LYS 38 1HG LYS 38 -11.977 7.764 -4.544 302 HG3 LYS 38 2HG LYS 38 -10.311 7.789 -5.126 303 HD2 LYS 38 1HD LYS 38 -10.802 5.372 -5.911 304 HD3 LYS 38 2HD LYS 38 -12.497 5.830 -5.729 305 HE2 LYS 38 1HE LYS 38 -12.023 7.799 -7.208 306 HE3 LYS 38 2HE LYS 38 -10.426 7.113 -7.504 307 HZ1 LYS 38 3HZ LYS 38 -12.172 6.581 -9.202 308 HZ2 LYS 38 1HZ LYS 38 -12.936 5.627 -8.031 309 HZ3 LYS 38 2HZ LYS 38 -11.373 5.239 -8.549 310 H ILE 39 H ILE 39 -8.078 5.596 -2.174 311 HA ILE 39 HA ILE 39 -9.066 4.310 0.149 312 HB ILE 39 HB ILE 39 -6.325 4.317 -1.109 313 HG12 ILE 39 1HG1 ILE 39 -8.164 1.962 -0.953 314 HG13 ILE 39 2HG1 ILE 39 -8.493 3.219 -2.140 315 HG21 ILE 39 1HG2 ILE 39 -5.527 3.472 0.786 316 HG22 ILE 39 2HG2 ILE 39 -7.136 3.404 1.503 317 HG23 ILE 39 3HG2 ILE 39 -6.555 2.065 0.514 318 HD11 ILE 39 3HD1 ILE 39 -7.082 1.176 -2.820 319 HD12 ILE 39 1HD1 ILE 39 -6.559 2.783 -3.324 320 HD13 ILE 39 2HD1 ILE 39 -5.779 1.990 -1.955 321 H ALA 40 H ALA 40 -6.376 6.600 -0.318 322 HA ALA 40 HA ALA 40 -5.484 6.839 2.265 323 HB1 ALA 40 3HB ALA 40 -4.856 8.066 -0.033 324 HB2 ALA 40 1HB ALA 40 -5.711 9.380 0.776 325 HB3 ALA 40 2HB ALA 40 -4.310 8.633 1.546 326 H ASP 41 H ASP 41 -8.031 8.824 0.750 327 HA ASP 41 HA ASP 41 -8.744 10.466 2.782 328 HB2 ASP 41 1HB ASP 41 -9.821 10.061 0.422 329 HB3 ASP 41 2HB ASP 41 -10.943 9.047 1.326 330 H GLU 42 H GLU 42 -10.161 7.223 2.313 331 HA GLU 42 HA GLU 42 -11.701 7.095 4.589 332 HB2 GLU 42 1HB GLU 42 -10.255 5.004 3.001 333 HB3 GLU 42 2HB GLU 42 -11.105 4.553 4.473 334 HG2 GLU 42 1HG GLU 42 -12.512 6.136 2.372 335 HG3 GLU 42 2HG GLU 42 -12.301 4.397 2.176 336 H LEU 43 H LEU 43 -8.305 6.083 4.248 337 HA LEU 43 HA LEU 43 -7.887 5.233 6.864 338 HB2 LEU 43 1HB LEU 43 -5.929 6.561 4.995 339 HB3 LEU 43 2HB LEU 43 -5.503 5.647 6.440 340 HG LEU 43 HG LEU 43 -7.004 4.391 4.160 341 HD11 LEU 43 1HD1 LEU 43 -5.115 3.952 2.982 342 HD12 LEU 43 2HD1 LEU 43 -4.078 4.000 4.407 343 HD13 LEU 43 3HD1 LEU 43 -4.640 5.503 3.675 344 HD21 LEU 43 3HD2 LEU 43 -6.452 3.506 6.685 345 HD22 LEU 43 1HD2 LEU 43 -5.106 2.844 5.757 346 HD23 LEU 43 2HD2 LEU 43 -6.765 2.473 5.289 347 H GLY 44 H GLY 44 -7.437 8.463 5.447 348 HA2 GLY 44 1HA GLY 44 -7.674 10.523 6.491 349 HA3 GLY 44 2HA GLY 44 -7.979 9.686 8.006 350 H ASN 45 H ASN 45 -5.644 8.138 8.148 351 HA ASN 45 HA ASN 45 -3.790 10.164 9.041 352 HB2 ASN 45 1HB ASN 45 -3.443 7.161 9.109 353 HB3 ASN 45 2HB ASN 45 -2.572 8.355 10.067 354 HD21 ASN 45 1HD2 ASN 45 -3.167 8.156 12.097 355 HD22 ASN 45 2HD2 ASN 45 -4.787 7.986 12.671 356 H ARG 46 H ARG 46 -3.798 7.529 6.664 357 HA ARG 46 HA ARG 46 -1.184 8.291 5.674 358 HB2 ARG 46 1HB ARG 46 -3.153 6.144 4.903 359 HB3 ARG 46 2HB ARG 46 -1.694 6.455 3.972 360 HG2 ARG 46 1HG ARG 46 -1.799 5.668 6.877 361 HG3 ARG 46 2HG ARG 46 -1.379 4.613 5.526 362 HD2 ARG 46 1HD ARG 46 0.713 5.215 6.227 363 HD3 ARG 46 2HD ARG 46 0.403 6.492 5.052 364 HE ARG 46 HE ARG 46 0.575 7.973 6.766 365 HH11 ARG 46 1HH1 ARG 46 -0.439 4.911 8.074 366 HH12 ARG 46 2HH1 ARG 46 -0.440 5.465 9.716 367 HH21 ARG 46 1HH2 ARG 46 0.578 8.715 8.923 368 HH22 ARG 46 2HH2 ARG 46 0.138 7.629 10.197 369 H THR 47 H THR 47 -0.881 8.605 3.297 370 HA THR 47 HA THR 47 -3.114 10.135 2.130 371 HB THR 47 HB THR 47 -1.671 11.819 1.330 372 HG1 THR 47 1HG THR 47 0.617 10.447 2.291 373 HG21 THR 47 3HG2 THR 47 -0.624 11.117 4.074 374 HG22 THR 47 1HG2 THR 47 -2.143 11.954 3.759 375 HG23 THR 47 2HG2 THR 47 -0.612 12.710 3.318 376 H ALA 48 H ALA 48 -3.108 10.273 -0.208 377 HA ALA 48 HA ALA 48 -3.085 7.985 -1.591 378 HB1 ALA 48 3HB ALA 48 -3.835 9.560 -2.999 379 HB2 ALA 48 1HB ALA 48 -2.752 10.793 -2.352 380 HB3 ALA 48 2HB ALA 48 -2.161 9.638 -3.548 381 H LYS 49 H LYS 49 -0.236 10.084 -1.252 382 HA LYS 49 HA LYS 49 1.540 8.570 -2.781 383 HB2 LYS 49 1HB LYS 49 1.813 10.590 -0.613 384 HB3 LYS 49 2HB LYS 49 3.232 9.629 -1.007 385 HG2 LYS 49 1HG LYS 49 1.748 10.906 -3.239 386 HG3 LYS 49 2HG LYS 49 2.735 11.930 -2.193 387 HD2 LYS 49 1HD LYS 49 4.304 11.352 -3.751 388 HD3 LYS 49 2HD LYS 49 4.517 10.017 -2.616 389 HE2 LYS 49 1HE LYS 49 3.160 8.574 -3.967 390 HE3 LYS 49 2HE LYS 49 2.710 9.910 -5.026 391 HZ1 LYS 49 3HZ LYS 49 4.902 8.193 -5.253 392 HZ2 LYS 49 1HZ LYS 49 5.505 9.743 -4.945 393 HZ3 LYS 49 2HZ LYS 49 4.477 9.482 -6.262 394 H GLN 50 H GLN 50 1.425 8.663 0.786 395 HA GLN 50 HA GLN 50 3.089 6.576 1.347 396 HB2 GLN 50 1HB GLN 50 0.574 7.467 2.745 397 HB3 GLN 50 2HB GLN 50 1.609 6.202 3.395 398 HG2 GLN 50 1HG GLN 50 3.476 7.764 3.487 399 HG3 GLN 50 2HG GLN 50 2.454 9.032 2.813 400 HE21 GLN 50 1HE2 GLN 50 0.474 9.535 4.074 401 HE22 GLN 50 2HE2 GLN 50 0.594 9.517 5.797 402 H VAL 51 H VAL 51 -0.222 6.416 0.219 403 HA VAL 51 HA VAL 51 -0.522 3.602 0.673 404 HB VAL 51 HB VAL 51 -2.129 5.442 -1.106 405 HG11 VAL 51 1HG1 VAL 51 -3.521 3.741 -1.582 406 HG12 VAL 51 2HG1 VAL 51 -2.126 2.732 -1.193 407 HG13 VAL 51 3HG1 VAL 51 -3.368 3.030 0.024 408 HG21 VAL 51 3HG2 VAL 51 -3.734 4.980 0.978 409 HG22 VAL 51 1HG2 VAL 51 -2.176 4.858 1.796 410 HG23 VAL 51 2HG2 VAL 51 -2.604 6.333 0.929 411 H ALA 52 H ALA 52 0.332 5.637 -2.082 412 HA ALA 52 HA ALA 52 0.296 3.639 -4.060 413 HB1 ALA 52 3HB ALA 52 1.735 5.176 -5.350 414 HB2 ALA 52 1HB ALA 52 0.326 5.977 -4.653 415 HB3 ALA 52 2HB ALA 52 1.914 6.178 -3.910 416 H SER 53 H SER 53 2.930 4.846 -2.005 417 HA SER 53 HA SER 53 4.944 3.199 -3.104 418 HB2 SER 53 1HB SER 53 6.166 3.717 -0.958 419 HB3 SER 53 2HB SER 53 5.594 5.134 -1.839 420 HG SER 53 HG SER 53 4.883 5.549 0.141 421 H GLN 54 H GLN 54 2.849 2.821 -0.266 422 HA GLN 54 HA GLN 54 3.915 0.452 0.729 423 HB2 GLN 54 1HB GLN 54 2.005 2.056 1.606 424 HB3 GLN 54 2HB GLN 54 0.962 0.879 0.819 425 HG2 GLN 54 1HG GLN 54 1.167 0.295 3.122 426 HG3 GLN 54 2HG GLN 54 2.037 -0.900 2.162 427 HE21 GLN 54 1HE2 GLN 54 2.772 -1.052 4.586 428 HE22 GLN 54 2HE2 GLN 54 4.253 -0.232 4.930 429 H VAL 55 H VAL 55 1.396 0.950 -1.713 430 HA VAL 55 HA VAL 55 0.631 -1.694 -2.103 431 HB VAL 55 HB VAL 55 0.809 0.494 -4.180 432 HG11 VAL 55 1HG1 VAL 55 0.405 -2.149 -4.668 433 HG12 VAL 55 2HG1 VAL 55 -1.250 -1.582 -4.431 434 HG13 VAL 55 3HG1 VAL 55 -0.229 -0.837 -5.662 435 HG21 VAL 55 3HG2 VAL 55 -0.954 1.440 -3.210 436 HG22 VAL 55 1HG2 VAL 55 -1.837 -0.087 -3.239 437 HG23 VAL 55 2HG2 VAL 55 -0.787 0.299 -1.875 438 H GLN 56 H GLN 56 3.355 0.098 -3.448 439 HA GLN 56 HA GLN 56 4.186 -1.720 -5.385 440 HB2 GLN 56 1HB GLN 56 5.931 0.045 -3.660 441 HB3 GLN 56 2HB GLN 56 6.392 -0.679 -5.194 442 HG2 GLN 56 1HG GLN 56 3.997 1.085 -5.091 443 HG3 GLN 56 2HG GLN 56 5.604 1.809 -5.060 444 HE21 GLN 56 1HE2 GLN 56 3.142 0.783 -7.011 445 HE22 GLN 56 2HE2 GLN 56 4.004 0.644 -8.502 446 H LYS 57 H LYS 57 5.096 -1.513 -1.958 447 HA LYS 57 HA LYS 57 6.653 -3.948 -2.131 448 HB2 LYS 57 1HB LYS 57 5.932 -2.214 0.240 449 HB3 LYS 57 2HB LYS 57 7.034 -3.583 0.292 450 HG2 LYS 57 1HG LYS 57 8.674 -2.478 -0.905 451 HG3 LYS 57 2HG LYS 57 7.531 -1.329 -1.604 452 HD2 LYS 57 1HD LYS 57 8.549 0.001 -0.038 453 HD3 LYS 57 2HD LYS 57 7.202 -0.631 0.913 454 HE2 LYS 57 1HE LYS 57 9.143 -0.826 2.262 455 HE3 LYS 57 2HE LYS 57 8.754 -2.450 1.697 456 HZ1 LYS 57 3HZ LYS 57 11.183 -1.513 1.574 457 HZ2 LYS 57 1HZ LYS 57 10.631 -0.851 0.118 458 HZ3 LYS 57 2HZ LYS 57 10.577 -2.524 0.360 459 H TYR 58 H TYR 58 3.594 -3.734 -2.454 460 HA TYR 58 HA TYR 58 2.909 -5.822 -0.489 461 HB2 TYR 58 1HB TYR 58 1.373 -3.507 -1.552 462 HB3 TYR 58 2HB TYR 58 0.482 -4.992 -1.243 463 HD1 TYR 58 1HD TYR 58 3.399 -3.992 0.758 464 HD2 TYR 58 2HD TYR 58 -0.850 -4.069 0.538 465 HE1 TYR 58 1HE TYR 58 3.271 -3.412 3.145 466 HE2 TYR 58 2HE TYR 58 -0.989 -3.489 2.924 467 HH TYR 58 HH TYR 58 0.941 -2.143 4.607 468 H PHE 59 H PHE 59 3.387 -5.117 -3.755 469 HA PHE 59 HA PHE 59 2.149 -7.674 -4.511 470 HB2 PHE 59 1HB PHE 59 2.007 -5.082 -6.063 471 HB3 PHE 59 2HB PHE 59 1.521 -6.649 -6.701 472 HD1 PHE 59 2HD PHE 59 0.904 -4.604 -3.637 473 HD2 PHE 59 1HD PHE 59 -0.724 -7.074 -6.697 474 HE1 PHE 59 2HE PHE 59 -1.345 -4.284 -2.694 475 HE2 PHE 59 1HE PHE 59 -2.976 -6.758 -5.759 476 HZ PHE 59 HZ PHE 59 -3.289 -5.362 -3.754 477 H ILE 60 H ILE 60 4.346 -5.105 -5.635 478 HA ILE 60 HA ILE 60 5.738 -6.619 -7.520 479 HB ILE 60 HB ILE 60 6.812 -4.348 -5.843 480 HG12 ILE 60 1HG1 ILE 60 5.610 -4.246 -8.613 481 HG13 ILE 60 2HG1 ILE 60 4.706 -3.880 -7.148 482 HG21 ILE 60 1HG2 ILE 60 8.385 -5.919 -7.212 483 HG22 ILE 60 2HG2 ILE 60 7.761 -5.014 -8.591 484 HG23 ILE 60 3HG2 ILE 60 8.596 -4.169 -7.287 485 HD11 ILE 60 3HD1 ILE 60 6.637 -2.265 -8.622 486 HD12 ILE 60 1HD1 ILE 60 5.328 -1.777 -7.546 487 HD13 ILE 60 2HD1 ILE 60 6.883 -2.270 -6.875 488 H LYS 61 H LYS 61 6.354 -6.143 -4.065 489 HA LYS 61 HA LYS 61 8.795 -7.515 -3.922 490 HB2 LYS 61 1HB LYS 61 7.625 -6.052 -2.150 491 HB3 LYS 61 2HB LYS 61 6.765 -7.518 -1.701 492 HG2 LYS 61 1HG LYS 61 8.904 -8.626 -1.251 493 HG3 LYS 61 2HG LYS 61 9.753 -7.137 -1.675 494 HD2 LYS 61 1HD LYS 61 8.844 -5.983 0.184 495 HD3 LYS 61 2HD LYS 61 7.669 -7.264 0.494 496 HE2 LYS 61 1HE LYS 61 9.651 -8.783 0.920 497 HE3 LYS 61 2HE LYS 61 10.649 -7.331 0.910 498 HZ1 LYS 61 3HZ LYS 61 8.400 -7.908 2.761 499 HZ2 LYS 61 1HZ LYS 61 9.262 -6.452 2.716 500 HZ3 LYS 61 2HZ LYS 61 10.046 -7.885 3.152 501 H LEU 62 H LEU 62 5.481 -8.651 -3.910 502 HA LEU 62 HA LEU 62 6.396 -11.405 -3.486 503 HB2 LEU 62 1HB LEU 62 3.771 -11.711 -3.538 504 HB3 LEU 62 2HB LEU 62 4.626 -11.196 -2.086 505 HG LEU 62 HG LEU 62 3.513 -9.136 -3.941 506 HD11 LEU 62 1HD1 LEU 62 1.478 -10.053 -3.729 507 HD12 LEU 62 2HD1 LEU 62 1.543 -9.394 -2.094 508 HD13 LEU 62 3HD1 LEU 62 1.968 -11.081 -2.382 509 HD21 LEU 62 3HD2 LEU 62 4.857 -9.129 -1.486 510 HD22 LEU 62 1HD2 LEU 62 3.182 -8.717 -1.116 511 HD23 LEU 62 2HD2 LEU 62 4.085 -7.762 -2.293 512 H THR 63 H THR 63 7.187 -10.475 -5.886 513 HA THR 63 HA THR 63 5.211 -11.339 -7.865 514 HB THR 63 HB THR 63 6.449 -9.198 -8.226 515 HG1 THR 63 1HG THR 63 6.660 -11.338 -10.077 516 HG21 THR 63 3HG2 THR 63 8.613 -9.801 -7.329 517 HG22 THR 63 1HG2 THR 63 8.790 -9.359 -9.027 518 HG23 THR 63 2HG2 THR 63 8.806 -11.058 -8.551 519 H LYS 64 H LYS 64 5.727 -12.896 -9.472 520 HA LYS 64 HA LYS 64 7.970 -14.679 -8.802 521 HB2 LYS 64 1HB LYS 64 5.819 -15.609 -7.976 522 HB3 LYS 64 2HB LYS 64 5.201 -15.575 -9.622 523 HG2 LYS 64 1HG LYS 64 7.246 -17.043 -10.181 524 HG3 LYS 64 2HG LYS 64 7.317 -17.325 -8.440 525 HD2 LYS 64 1HD LYS 64 5.964 -19.060 -9.047 526 HD3 LYS 64 2HD LYS 64 4.738 -17.818 -8.784 527 HE2 LYS 64 1HE LYS 64 5.967 -18.118 -11.487 528 HE3 LYS 64 2HE LYS 64 4.731 -19.263 -10.970 529 HZ1 LYS 64 3HZ LYS 64 3.649 -17.511 -12.112 530 HZ2 LYS 64 1HZ LYS 64 4.463 -16.321 -11.227 531 HZ3 LYS 64 2HZ LYS 64 3.307 -17.295 -10.470 532 H ALA 65 H ALA 65 5.437 -14.352 -11.297 533 HA ALA 65 HA ALA 65 7.268 -13.706 -13.364 534 HB1 ALA 65 3HB ALA 65 6.685 -15.953 -14.618 535 HB2 ALA 65 1HB ALA 65 8.074 -15.835 -13.538 536 HB3 ALA 65 2HB ALA 65 6.575 -16.570 -12.969 537 H GLY 66 H GLY 66 6.220 -13.559 -15.481 538 HA2 GLY 66 1HA GLY 66 3.886 -14.045 -16.495 539 HA3 GLY 66 2HA GLY 66 3.343 -13.046 -15.155 540 H ILE 67 H ILE 67 5.463 -11.162 -15.196 541 HA ILE 67 HA ILE 67 4.499 -9.430 -17.255 542 HB ILE 67 HB ILE 67 6.810 -9.070 -15.344 543 HG12 ILE 67 1HG1 ILE 67 4.976 -7.387 -14.422 544 HG13 ILE 67 2HG1 ILE 67 3.879 -8.521 -15.202 545 HG21 ILE 67 1HG2 ILE 67 6.971 -6.845 -15.998 546 HG22 ILE 67 2HG2 ILE 67 6.749 -7.698 -17.525 547 HG23 ILE 67 3HG2 ILE 67 5.390 -6.858 -16.779 548 HD11 ILE 67 3HD1 ILE 67 5.095 -8.717 -12.669 549 HD12 ILE 67 1HD1 ILE 67 4.024 -9.871 -13.462 550 HD13 ILE 67 2HD1 ILE 67 5.770 -9.996 -13.678 551 HA PRO 68 HA PRO 68 7.337 -10.492 -20.461 552 HB2 PRO 68 1HB PRO 68 7.078 -8.247 -21.966 553 HB3 PRO 68 2HB PRO 68 5.838 -9.505 -21.896 554 HG2 PRO 68 1HG PRO 68 5.969 -6.890 -20.443 555 HG3 PRO 68 2HG PRO 68 4.583 -7.661 -21.237 556 HD2 PRO 68 1HD PRO 68 4.960 -7.749 -18.557 557 HD3 PRO 68 2HD PRO 68 4.185 -9.069 -19.456 558 H VAL 69 H VAL 69 9.467 -10.486 -20.115 559 HA VAL 69 HA VAL 69 10.830 -8.274 -18.904 560 HB VAL 69 HB VAL 69 11.923 -10.803 -20.144 561 HG11 VAL 69 1HG1 VAL 69 13.790 -9.485 -20.160 562 HG12 VAL 69 2HG1 VAL 69 13.230 -8.481 -18.822 563 HG13 VAL 69 3HG1 VAL 69 13.869 -10.095 -18.508 564 HG21 VAL 69 3HG2 VAL 69 11.671 -10.137 -17.221 565 HG22 VAL 69 1HG2 VAL 69 10.411 -10.988 -18.116 566 HG23 VAL 69 2HG2 VAL 69 12.017 -11.700 -17.961 567 H SER 70 H SER 70 10.920 -9.794 -22.120 568 HA SER 70 HA SER 70 12.395 -7.465 -23.130 569 HB2 SER 70 1HB SER 70 13.214 -9.866 -23.521 570 HB3 SER 70 2HB SER 70 11.870 -10.016 -24.653 571 HG SER 70 HG SER 70 12.745 -8.335 -25.860 572 H GLY 71 H GLY 71 10.478 -6.129 -23.084 573 HA2 GLY 71 1HA GLY 71 8.034 -6.393 -24.097 574 HA3 GLY 71 2HA GLY 71 8.992 -4.964 -24.455 575 HA PRO 72 HA PRO 72 9.051 -8.118 -28.181 576 HB2 PRO 72 1HB PRO 72 6.657 -9.363 -28.480 577 HB3 PRO 72 2HB PRO 72 7.996 -10.062 -27.561 578 HG2 PRO 72 1HG PRO 72 5.583 -8.591 -26.572 579 HG3 PRO 72 2HG PRO 72 6.340 -10.059 -25.928 580 HD2 PRO 72 1HD PRO 72 6.740 -7.615 -24.835 581 HD3 PRO 72 2HD PRO 72 7.985 -8.880 -24.827 582 H SER 73 H SER 73 8.522 -7.370 -30.186 583 HA SER 73 HA SER 73 6.053 -5.976 -30.689 584 HB2 SER 73 1HB SER 73 7.519 -4.257 -29.568 585 HB3 SER 73 2HB SER 73 8.625 -4.405 -30.934 586 HG SER 73 HG SER 73 6.409 -2.941 -30.751 587 H SER 74 H SER 74 6.330 -4.834 -32.990 588 HA SER 74 HA SER 74 6.624 -6.854 -34.862 589 HB2 SER 74 1HB SER 74 5.363 -4.926 -35.469 590 HB3 SER 74 2HB SER 74 6.727 -3.851 -35.164 591 HG SER 74 HG SER 74 6.921 -5.884 -37.101 592 H GLY 75 H GLY 75 8.487 -8.000 -34.928 593 HA2 GLY 75 1HA GLY 75 10.589 -7.600 -36.431 594 HA3 GLY 75 2HA GLY 75 11.032 -6.552 -35.092 Start of MODEL 6 1 H1 GLY 1 H GLY 1 12.971 -10.184 4.271 2 HA2 GLY 1 1HA GLY 1 13.316 -9.846 6.729 3 HA3 GLY 1 2HA GLY 1 14.950 -9.360 6.304 4 H SER 2 H SER 2 12.975 -7.828 7.749 5 HA SER 2 HA SER 2 11.521 -5.963 6.441 6 HB2 SER 2 1HB SER 2 13.403 -5.438 8.754 7 HB3 SER 2 2HB SER 2 12.097 -4.365 8.251 8 HG SER 2 HG SER 2 11.848 -7.024 9.210 9 H SER 3 H SER 3 11.879 -3.888 5.558 10 HA SER 3 HA SER 3 14.560 -2.974 5.031 11 HB2 SER 3 1HB SER 3 14.433 -3.092 2.602 12 HB3 SER 3 2HB SER 3 14.243 -4.709 3.281 13 HG SER 3 HG SER 3 12.312 -4.800 2.464 14 H GLY 4 H GLY 4 14.545 -0.932 3.734 15 HA2 GLY 4 1HA GLY 4 13.735 1.175 3.301 16 HA3 GLY 4 2HA GLY 4 12.126 0.470 3.257 17 H SER 5 H SER 5 13.493 2.932 4.551 18 HA SER 5 HA SER 5 12.451 2.504 7.272 19 HB2 SER 5 1HB SER 5 14.711 4.139 6.202 20 HB3 SER 5 2HB SER 5 13.860 4.721 7.632 21 HG SER 5 HG SER 5 14.462 2.062 7.764 22 H SER 6 H SER 6 10.309 3.008 6.886 23 HA SER 6 HA SER 6 9.504 5.350 5.465 24 HB2 SER 6 1HB SER 6 8.022 3.417 7.251 25 HB3 SER 6 2HB SER 6 7.237 4.802 6.492 26 HG SER 6 HG SER 6 7.448 2.521 5.413 27 H GLY 7 H GLY 7 9.474 4.467 8.920 28 HA2 GLY 7 1HA GLY 7 10.417 6.795 9.981 29 HA3 GLY 7 2HA GLY 7 8.709 7.121 9.725 30 H ASN 8 H ASN 8 8.867 7.406 12.125 31 HA ASN 8 HA ASN 8 9.179 5.056 13.742 32 HB2 ASN 8 1HB ASN 8 8.081 6.709 15.482 33 HB3 ASN 8 2HB ASN 8 9.746 6.935 14.954 34 HD21 ASN 8 1HD2 ASN 8 10.212 8.963 14.570 35 HD22 ASN 8 2HD2 ASN 8 9.145 10.153 13.914 36 H GLN 9 H GLN 9 6.470 6.927 12.477 37 HA GLN 9 HA GLN 9 4.525 5.252 13.821 38 HB2 GLN 9 1HB GLN 9 4.143 7.462 11.794 39 HB3 GLN 9 2HB GLN 9 2.858 6.672 12.697 40 HG2 GLN 9 1HG GLN 9 3.363 7.749 14.639 41 HG3 GLN 9 2HG GLN 9 5.068 7.926 14.227 42 HE21 GLN 9 1HE2 GLN 9 5.519 10.007 14.196 43 HE22 GLN 9 2HE2 GLN 9 4.588 11.237 13.419 44 H LEU 10 H LEU 10 6.269 3.871 12.055 45 HA LEU 10 HA LEU 10 5.439 3.390 9.496 46 HB2 LEU 10 1HB LEU 10 7.276 2.279 11.044 47 HB3 LEU 10 2HB LEU 10 6.049 1.023 11.189 48 HG LEU 10 HG LEU 10 7.060 1.981 8.524 49 HD11 LEU 10 1HD1 LEU 10 9.002 1.212 9.695 50 HD12 LEU 10 2HD1 LEU 10 8.510 -0.037 8.552 51 HD13 LEU 10 3HD1 LEU 10 8.148 -0.221 10.268 52 HD21 LEU 10 3HD2 LEU 10 4.988 0.260 9.329 53 HD22 LEU 10 1HD2 LEU 10 6.273 -0.766 8.692 54 HD23 LEU 10 2HD2 LEU 10 5.603 0.527 7.697 55 H TRP 11 H TRP 11 3.930 2.079 8.486 56 HA TRP 11 HA TRP 11 1.371 2.007 9.276 57 HB2 TRP 11 1HB TRP 11 2.823 -0.147 7.731 58 HB3 TRP 11 2HB TRP 11 1.069 -0.046 7.859 59 HD1 TRP 11 HD TRP 11 4.013 2.127 6.569 60 HE1 TRP 11 1HE TRP 11 3.160 3.508 4.571 61 HE3 TRP 11 3HE TRP 11 -0.900 0.714 6.646 62 HZ2 TRP 11 2HZ TRP 11 0.726 3.941 3.209 63 HZ3 TRP 11 3HZ TRP 11 -2.425 1.658 4.961 64 HH2 TRP 11 HH TRP 11 -1.627 3.239 3.279 65 H THR 12 H THR 12 0.396 1.327 11.056 66 HA THR 12 HA THR 12 1.559 -0.812 12.644 67 HB THR 12 HB THR 12 0.730 1.281 13.722 68 HG1 THR 12 1HG THR 12 -0.002 0.165 15.465 69 HG21 THR 12 3HG2 THR 12 -1.752 1.426 14.075 70 HG22 THR 12 1HG2 THR 12 -1.939 0.207 12.815 71 HG23 THR 12 2HG2 THR 12 -1.220 1.771 12.429 72 H VAL 13 H VAL 13 0.368 -2.647 13.354 73 HA VAL 13 HA VAL 13 -0.775 -4.256 11.555 74 HB VAL 13 HB VAL 13 -0.341 -4.959 13.860 75 HG11 VAL 13 1HG1 VAL 13 -1.402 -2.879 14.856 76 HG12 VAL 13 2HG1 VAL 13 -2.953 -3.693 14.642 77 HG13 VAL 13 3HG1 VAL 13 -1.721 -4.402 15.686 78 HG21 VAL 13 3HG2 VAL 13 -1.624 -6.714 13.404 79 HG22 VAL 13 1HG2 VAL 13 -3.057 -5.819 13.912 80 HG23 VAL 13 2HG2 VAL 13 -2.520 -5.746 12.234 81 H GLU 14 H GLU 14 -2.604 -1.910 13.502 82 HA GLU 14 HA GLU 14 -5.159 -2.461 12.627 83 HB2 GLU 14 1HB GLU 14 -3.840 0.114 13.448 84 HB3 GLU 14 2HB GLU 14 -5.533 0.069 12.978 85 HG2 GLU 14 1HG GLU 14 -5.622 -1.878 14.748 86 HG3 GLU 14 2HG GLU 14 -4.198 -1.054 15.380 87 H GLU 15 H GLU 15 -2.866 -0.141 11.193 88 HA GLU 15 HA GLU 15 -4.542 0.490 8.988 89 HB2 GLU 15 1HB GLU 15 -1.604 0.905 9.518 90 HB3 GLU 15 2HB GLU 15 -2.370 1.421 8.022 91 HG2 GLU 15 1HG GLU 15 -3.798 2.934 9.190 92 HG3 GLU 15 2HG GLU 15 -3.267 2.309 10.750 93 H GLN 16 H GLN 16 -1.699 -1.614 9.337 94 HA GLN 16 HA GLN 16 -1.265 -2.468 6.808 95 HB2 GLN 16 1HB GLN 16 -1.158 -3.871 9.438 96 HB3 GLN 16 2HB GLN 16 -0.950 -4.825 7.976 97 HG2 GLN 16 1HG GLN 16 0.835 -3.116 7.331 98 HG3 GLN 16 2HG GLN 16 0.759 -2.595 9.013 99 HE21 GLN 16 1HE2 GLN 16 1.713 -3.804 10.564 100 HE22 GLN 16 2HE2 GLN 16 2.612 -5.246 10.253 101 H LYS 17 H LYS 17 -3.678 -3.908 8.999 102 HA LYS 17 HA LYS 17 -4.775 -5.604 6.988 103 HB2 LYS 17 1HB LYS 17 -6.520 -6.087 8.630 104 HB3 LYS 17 2HB LYS 17 -4.928 -6.154 9.373 105 HG2 LYS 17 1HG LYS 17 -5.268 -4.227 10.594 106 HG3 LYS 17 2HG LYS 17 -6.522 -3.633 9.502 107 HD2 LYS 17 1HD LYS 17 -8.023 -5.419 10.288 108 HD3 LYS 17 2HD LYS 17 -6.770 -5.962 11.408 109 HE2 LYS 17 1HE LYS 17 -8.245 -4.619 12.675 110 HE3 LYS 17 2HE LYS 17 -6.814 -3.631 12.384 111 HZ1 LYS 17 3HZ LYS 17 -8.843 -3.347 10.364 112 HZ2 LYS 17 1HZ LYS 17 -7.987 -2.160 11.212 113 HZ3 LYS 17 2HZ LYS 17 -9.359 -2.867 11.902 114 H LYS 18 H LYS 18 -5.549 -2.409 8.222 115 HA LYS 18 HA LYS 18 -8.089 -2.092 7.100 116 HB2 LYS 18 1HB LYS 18 -6.687 -0.568 8.718 117 HB3 LYS 18 2HB LYS 18 -6.177 0.208 7.224 118 HG2 LYS 18 1HG LYS 18 -9.066 -0.181 7.949 119 HG3 LYS 18 2HG LYS 18 -8.140 1.248 8.414 120 HD2 LYS 18 1HD LYS 18 -7.710 1.773 6.095 121 HD3 LYS 18 2HD LYS 18 -8.498 0.280 5.578 122 HE2 LYS 18 1HE LYS 18 -10.132 1.907 5.249 123 HE3 LYS 18 2HE LYS 18 -10.566 1.190 6.800 124 HZ1 LYS 18 3HZ LYS 18 -8.980 3.155 7.609 125 HZ2 LYS 18 1HZ LYS 18 -10.650 3.341 7.412 126 HZ3 LYS 18 2HZ LYS 18 -9.592 3.862 6.199 127 H LEU 19 H LEU 19 -5.013 -0.814 5.813 128 HA LEU 19 HA LEU 19 -5.886 0.082 3.380 129 HB2 LEU 19 1HB LEU 19 -3.683 0.578 3.843 130 HB3 LEU 19 2HB LEU 19 -3.301 -1.077 4.311 131 HG LEU 19 HG LEU 19 -3.416 -1.719 1.910 132 HD11 LEU 19 1HD1 LEU 19 -3.596 -0.137 0.196 133 HD12 LEU 19 2HD1 LEU 19 -3.372 1.218 1.301 134 HD13 LEU 19 3HD1 LEU 19 -4.874 0.294 1.333 135 HD21 LEU 19 3HD2 LEU 19 -1.441 0.167 3.060 136 HD22 LEU 19 1HD2 LEU 19 -1.333 -0.169 1.332 137 HD23 LEU 19 2HD2 LEU 19 -1.233 -1.491 2.495 138 H GLU 20 H GLU 20 -4.816 -3.215 4.165 139 HA GLU 20 HA GLU 20 -4.969 -4.390 1.686 140 HB2 GLU 20 1HB GLU 20 -5.392 -5.379 4.465 141 HB3 GLU 20 2HB GLU 20 -5.852 -6.436 3.137 142 HG2 GLU 20 1HG GLU 20 -3.132 -5.183 3.341 143 HG3 GLU 20 2HG GLU 20 -3.528 -6.737 4.072 144 H GLN 21 H GLN 21 -7.613 -3.990 4.030 145 HA GLN 21 HA GLN 21 -9.609 -5.209 2.471 146 HB2 GLN 21 1HB GLN 21 -9.692 -3.211 4.718 147 HB3 GLN 21 2HB GLN 21 -11.163 -3.760 3.927 148 HG2 GLN 21 1HG GLN 21 -9.252 -5.799 4.936 149 HG3 GLN 21 2HG GLN 21 -10.250 -4.924 6.097 150 HE21 GLN 21 1HE2 GLN 21 -12.470 -5.223 6.090 151 HE22 GLN 21 2HE2 GLN 21 -13.224 -6.538 5.262 152 H LEU 22 H LEU 22 -8.535 -1.848 2.710 153 HA LEU 22 HA LEU 22 -10.531 -0.709 1.094 154 HB2 LEU 22 1HB LEU 22 -7.701 0.132 1.674 155 HB3 LEU 22 2HB LEU 22 -8.822 1.111 0.731 156 HG LEU 22 HG LEU 22 -9.521 0.250 3.515 157 HD11 LEU 22 1HD1 LEU 22 -7.549 2.307 2.675 158 HD12 LEU 22 2HD1 LEU 22 -7.577 1.283 4.110 159 HD13 LEU 22 3HD1 LEU 22 -8.638 2.688 4.008 160 HD21 LEU 22 3HD2 LEU 22 -10.754 2.435 3.404 161 HD22 LEU 22 1HD2 LEU 22 -11.324 1.194 2.288 162 HD23 LEU 22 2HD2 LEU 22 -10.316 2.515 1.697 163 H LEU 23 H LEU 23 -7.235 -1.776 0.267 164 HA LEU 23 HA LEU 23 -7.008 -1.159 -2.338 165 HB2 LEU 23 1HB LEU 23 -6.362 -3.801 -1.046 166 HB3 LEU 23 2HB LEU 23 -5.826 -3.345 -2.661 167 HG LEU 23 HG LEU 23 -5.117 -1.738 -0.220 168 HD11 LEU 23 1HD1 LEU 23 -3.503 -3.152 0.377 169 HD12 LEU 23 2HD1 LEU 23 -3.011 -3.426 -1.294 170 HD13 LEU 23 3HD1 LEU 23 -4.343 -4.353 -0.604 171 HD21 LEU 23 3HD2 LEU 23 -4.631 -0.420 -2.031 172 HD22 LEU 23 1HD2 LEU 23 -4.312 -1.797 -3.087 173 HD23 LEU 23 2HD2 LEU 23 -3.121 -1.319 -1.876 174 H ILE 24 H ILE 24 -8.715 -4.061 -1.170 175 HA ILE 24 HA ILE 24 -9.612 -4.934 -3.681 176 HB ILE 24 HB ILE 24 -10.882 -5.367 -0.975 177 HG12 ILE 24 1HG1 ILE 24 -9.234 -7.388 -2.449 178 HG13 ILE 24 2HG1 ILE 24 -8.427 -6.121 -1.532 179 HG21 ILE 24 1HG2 ILE 24 -11.814 -7.423 -2.122 180 HG22 ILE 24 2HG2 ILE 24 -12.526 -5.879 -2.588 181 HG23 ILE 24 3HG2 ILE 24 -11.353 -6.664 -3.645 182 HD11 ILE 24 3HD1 ILE 24 -10.024 -6.909 0.380 183 HD12 ILE 24 1HD1 ILE 24 -10.091 -8.390 -0.575 184 HD13 ILE 24 2HD1 ILE 24 -8.541 -7.793 0.020 185 H LYS 25 H LYS 25 -11.207 -2.920 -1.226 186 HA LYS 25 HA LYS 25 -13.662 -2.590 -2.492 187 HB2 LYS 25 1HB LYS 25 -13.052 -1.872 -0.156 188 HB3 LYS 25 2HB LYS 25 -12.240 -0.481 -0.862 189 HG2 LYS 25 1HG LYS 25 -14.535 -0.043 -1.995 190 HG3 LYS 25 2HG LYS 25 -15.156 -1.102 -0.726 191 HD2 LYS 25 1HD LYS 25 -14.429 0.349 0.982 192 HD3 LYS 25 2HD LYS 25 -13.391 1.256 -0.120 193 HE2 LYS 25 1HE LYS 25 -15.149 2.422 -1.030 194 HE3 LYS 25 2HE LYS 25 -16.320 1.158 -0.657 195 HZ1 LYS 25 3HZ LYS 25 -16.875 2.697 0.902 196 HZ2 LYS 25 1HZ LYS 25 -15.305 3.312 1.043 197 HZ3 LYS 25 2HZ LYS 25 -15.709 1.847 1.785 198 H TYR 26 H TYR 26 -10.669 -0.728 -2.841 199 HA TYR 26 HA TYR 26 -11.893 0.744 -5.072 200 HB2 TYR 26 1HB TYR 26 -9.509 1.340 -3.324 201 HB3 TYR 26 2HB TYR 26 -9.833 2.225 -4.811 202 HD1 TYR 26 1HD TYR 26 -12.255 3.242 -4.993 203 HD2 TYR 26 2HD TYR 26 -10.376 2.146 -1.336 204 HE1 TYR 26 1HE TYR 26 -13.767 4.749 -3.772 205 HE2 TYR 26 2HE TYR 26 -11.884 3.649 -0.105 206 HH TYR 26 HH TYR 26 -13.409 6.026 -1.202 207 HA PRO 27 HA PRO 27 -9.322 -2.246 -7.359 208 HB2 PRO 27 1HB PRO 27 -10.810 -2.097 -9.624 209 HB3 PRO 27 2HB PRO 27 -11.244 -3.129 -8.256 210 HG2 PRO 27 1HG PRO 27 -12.295 -0.426 -8.998 211 HG3 PRO 27 2HG PRO 27 -13.181 -1.855 -8.433 212 HD2 PRO 27 1HD PRO 27 -12.554 0.212 -6.799 213 HD3 PRO 27 2HD PRO 27 -12.650 -1.465 -6.224 214 HA PRO 28 HA PRO 28 -6.867 0.457 -9.809 215 HB2 PRO 28 1HB PRO 28 -6.291 -1.038 -12.000 216 HB3 PRO 28 2HB PRO 28 -5.596 -1.361 -10.408 217 HG2 PRO 28 1HG PRO 28 -7.905 -2.691 -11.772 218 HG3 PRO 28 2HG PRO 28 -6.581 -3.421 -10.846 219 HD2 PRO 28 1HD PRO 28 -9.044 -3.016 -9.796 220 HD3 PRO 28 2HD PRO 28 -7.563 -2.935 -8.818 221 H GLU 29 H GLU 29 -7.787 2.223 -10.665 222 HA GLU 29 HA GLU 29 -9.660 1.903 -12.906 223 HB2 GLU 29 1HB GLU 29 -10.463 4.124 -12.397 224 HB3 GLU 29 2HB GLU 29 -10.463 3.161 -10.926 225 HG2 GLU 29 1HG GLU 29 -8.602 4.286 -10.056 226 HG3 GLU 29 2HG GLU 29 -8.188 4.985 -11.620 227 H GLU 30 H GLU 30 -9.549 3.585 -14.619 228 HA GLU 30 HA GLU 30 -7.304 3.551 -16.094 229 HB2 GLU 30 1HB GLU 30 -8.032 5.687 -17.137 230 HB3 GLU 30 2HB GLU 30 -9.333 4.517 -16.962 231 HG2 GLU 30 1HG GLU 30 -10.226 5.694 -15.081 232 HG3 GLU 30 2HG GLU 30 -8.840 6.783 -15.047 233 H VAL 31 H VAL 31 -8.005 5.934 -13.566 234 HA VAL 31 HA VAL 31 -5.255 6.944 -13.797 235 HB VAL 31 HB VAL 31 -7.542 8.161 -12.245 236 HG11 VAL 31 1HG1 VAL 31 -5.733 10.133 -12.913 237 HG12 VAL 31 2HG1 VAL 31 -5.887 9.353 -11.338 238 HG13 VAL 31 3HG1 VAL 31 -4.709 8.757 -12.507 239 HG21 VAL 31 3HG2 VAL 31 -8.328 9.093 -14.107 240 HG22 VAL 31 1HG2 VAL 31 -6.719 9.637 -14.581 241 HG23 VAL 31 2HG2 VAL 31 -7.268 8.019 -15.019 242 H GLU 32 H GLU 32 -4.091 5.444 -12.644 243 HA GLU 32 HA GLU 32 -4.761 4.146 -10.316 244 HB2 GLU 32 1HB GLU 32 -2.647 3.946 -11.799 245 HB3 GLU 32 2HB GLU 32 -1.974 5.183 -10.745 246 HG2 GLU 32 1HG GLU 32 -2.508 3.677 -8.809 247 HG3 GLU 32 2HG GLU 32 -2.894 2.425 -9.988 248 H SER 33 H SER 33 -3.247 7.336 -10.653 249 HA SER 33 HA SER 33 -2.686 7.961 -8.055 250 HB2 SER 33 1HB SER 33 -2.175 9.477 -9.896 251 HB3 SER 33 2HB SER 33 -3.892 9.788 -10.148 252 HG SER 33 HG SER 33 -2.199 10.664 -8.098 253 H ARG 34 H ARG 34 -5.821 8.438 -9.674 254 HA ARG 34 HA ARG 34 -7.223 9.505 -7.528 255 HB2 ARG 34 1HB ARG 34 -8.073 7.862 -9.897 256 HB3 ARG 34 2HB ARG 34 -9.243 8.377 -8.689 257 HG2 ARG 34 1HG ARG 34 -8.496 10.731 -9.100 258 HG3 ARG 34 2HG ARG 34 -7.545 10.119 -10.454 259 HD2 ARG 34 1HD ARG 34 -9.439 9.496 -11.660 260 HD3 ARG 34 2HD ARG 34 -10.468 9.508 -10.229 261 HE ARG 34 HE ARG 34 -9.891 11.714 -11.940 262 HH11 ARG 34 1HH1 ARG 34 -10.611 10.835 -8.649 263 HH12 ARG 34 2HH1 ARG 34 -11.293 12.377 -8.249 264 HH21 ARG 34 1HH2 ARG 34 -10.786 13.747 -11.426 265 HH22 ARG 34 2HH2 ARG 34 -11.393 14.032 -9.829 266 H ARG 35 H ARG 35 -6.903 6.095 -8.494 267 HA ARG 35 HA ARG 35 -8.500 4.863 -6.657 268 HB2 ARG 35 1HB ARG 35 -7.370 3.557 -8.312 269 HB3 ARG 35 2HB ARG 35 -5.793 4.024 -7.690 270 HG2 ARG 35 1HG ARG 35 -6.456 2.838 -5.545 271 HG3 ARG 35 2HG ARG 35 -7.798 2.159 -6.467 272 HD2 ARG 35 1HD ARG 35 -6.255 1.152 -8.035 273 HD3 ARG 35 2HD ARG 35 -4.888 1.911 -7.219 274 HE ARG 35 HE ARG 35 -6.052 0.458 -5.257 275 HH11 ARG 35 1HH1 ARG 35 -4.970 -0.301 -8.478 276 HH12 ARG 35 2HH1 ARG 35 -4.583 -1.947 -8.100 277 HH21 ARG 35 1HH2 ARG 35 -5.546 -1.707 -4.748 278 HH22 ARG 35 2HH2 ARG 35 -4.912 -2.746 -5.979 279 H TRP 36 H TRP 36 -5.081 5.734 -6.151 280 HA TRP 36 HA TRP 36 -4.902 4.885 -3.494 281 HB2 TRP 36 1HB TRP 36 -3.402 7.237 -4.651 282 HB3 TRP 36 2HB TRP 36 -2.885 6.156 -3.360 283 HD1 TRP 36 HD TRP 36 -1.817 6.805 -6.615 284 HE1 TRP 36 1HE TRP 36 -0.957 4.724 -7.862 285 HE3 TRP 36 3HE TRP 36 -3.876 3.177 -3.659 286 HZ2 TRP 36 2HZ TRP 36 -1.130 1.916 -7.625 287 HZ3 TRP 36 3HZ TRP 36 -3.481 0.819 -4.238 288 HH2 TRP 36 HH TRP 36 -2.137 0.203 -6.181 289 H GLN 37 H GLN 37 -5.728 8.073 -4.825 290 HA GLN 37 HA GLN 37 -5.923 9.534 -2.498 291 HB2 GLN 37 1HB GLN 37 -6.172 10.471 -4.771 292 HB3 GLN 37 2HB GLN 37 -7.758 9.721 -4.894 293 HG2 GLN 37 1HG GLN 37 -8.239 11.912 -4.332 294 HG3 GLN 37 2HG GLN 37 -8.336 11.066 -2.789 295 HE21 GLN 37 1HE2 GLN 37 -6.321 11.091 -1.479 296 HE22 GLN 37 2HE2 GLN 37 -5.391 12.546 -1.468 297 H LYS 38 H LYS 38 -8.413 7.499 -4.003 298 HA LYS 38 HA LYS 38 -10.465 8.022 -2.169 299 HB2 LYS 38 1HB LYS 38 -9.949 5.502 -3.758 300 HB3 LYS 38 2HB LYS 38 -11.467 5.919 -2.975 301 HG2 LYS 38 1HG LYS 38 -11.708 7.852 -4.428 302 HG3 LYS 38 2HG LYS 38 -10.161 7.483 -5.193 303 HD2 LYS 38 1HD LYS 38 -11.211 5.192 -5.720 304 HD3 LYS 38 2HD LYS 38 -12.750 5.973 -5.348 305 HE2 LYS 38 1HE LYS 38 -10.862 7.280 -7.254 306 HE3 LYS 38 2HE LYS 38 -11.837 5.918 -7.803 307 HZ1 LYS 38 3HZ LYS 38 -12.609 8.577 -7.572 308 HZ2 LYS 38 1HZ LYS 38 -13.466 7.727 -6.386 309 HZ3 LYS 38 2HZ LYS 38 -13.571 7.256 -8.007 310 H ILE 39 H ILE 39 -8.017 5.449 -2.215 311 HA ILE 39 HA ILE 39 -8.871 4.085 0.074 312 HB ILE 39 HB ILE 39 -6.065 4.362 -1.009 313 HG12 ILE 39 1HG1 ILE 39 -7.984 2.063 -1.376 314 HG13 ILE 39 2HG1 ILE 39 -7.890 3.401 -2.515 315 HG21 ILE 39 1HG2 ILE 39 -7.064 2.115 0.705 316 HG22 ILE 39 2HG2 ILE 39 -5.403 2.578 0.340 317 HG23 ILE 39 3HG2 ILE 39 -6.381 3.577 1.414 318 HD11 ILE 39 3HD1 ILE 39 -6.532 1.177 -2.868 319 HD12 ILE 39 1HD1 ILE 39 -5.871 2.746 -3.327 320 HD13 ILE 39 2HD1 ILE 39 -5.379 1.991 -1.810 321 H ALA 40 H ALA 40 -6.243 6.482 -0.218 322 HA ALA 40 HA ALA 40 -5.568 6.687 2.452 323 HB1 ALA 40 3HB ALA 40 -5.606 9.010 0.535 324 HB2 ALA 40 1HB ALA 40 -4.555 8.779 1.933 325 HB3 ALA 40 2HB ALA 40 -4.379 7.743 0.516 326 H ASP 41 H ASP 41 -7.809 8.841 0.694 327 HA ASP 41 HA ASP 41 -8.703 10.503 2.582 328 HB2 ASP 41 1HB ASP 41 -9.612 10.030 0.178 329 HB3 ASP 41 2HB ASP 41 -10.795 9.031 1.017 330 H GLU 42 H GLU 42 -10.050 7.224 2.186 331 HA GLU 42 HA GLU 42 -11.748 7.265 4.391 332 HB2 GLU 42 1HB GLU 42 -10.369 5.060 2.897 333 HB3 GLU 42 2HB GLU 42 -11.305 4.695 4.339 334 HG2 GLU 42 1HG GLU 42 -12.372 6.126 1.918 335 HG3 GLU 42 2HG GLU 42 -12.573 4.406 2.246 336 H LEU 43 H LEU 43 -8.398 6.089 4.174 337 HA LEU 43 HA LEU 43 -8.102 5.248 6.810 338 HB2 LEU 43 1HB LEU 43 -6.225 6.194 4.699 339 HB3 LEU 43 2HB LEU 43 -5.619 5.977 6.339 340 HG LEU 43 HG LEU 43 -7.076 3.745 4.983 341 HD11 LEU 43 1HD1 LEU 43 -4.136 4.321 4.651 342 HD12 LEU 43 2HD1 LEU 43 -5.357 4.543 3.398 343 HD13 LEU 43 3HD1 LEU 43 -5.022 2.930 4.026 344 HD21 LEU 43 3HD2 LEU 43 -5.496 2.424 6.391 345 HD22 LEU 43 1HD2 LEU 43 -6.603 3.445 7.308 346 HD23 LEU 43 2HD2 LEU 43 -4.926 3.942 7.086 347 H GLY 44 H GLY 44 -7.548 8.447 5.378 348 HA2 GLY 44 1HA GLY 44 -7.715 10.522 6.399 349 HA3 GLY 44 2HA GLY 44 -8.077 9.710 7.915 350 H ASN 45 H ASN 45 -5.803 8.089 8.128 351 HA ASN 45 HA ASN 45 -3.917 10.031 9.094 352 HB2 ASN 45 1HB ASN 45 -4.307 8.055 10.425 353 HB3 ASN 45 2HB ASN 45 -3.876 7.008 9.077 354 HD21 ASN 45 1HD2 ASN 45 -2.556 6.394 11.178 355 HD22 ASN 45 2HD2 ASN 45 -0.945 7.018 11.191 356 H ARG 46 H ARG 46 -3.884 7.486 6.616 357 HA ARG 46 HA ARG 46 -1.267 8.307 5.685 358 HB2 ARG 46 1HB ARG 46 -3.188 6.124 4.956 359 HB3 ARG 46 2HB ARG 46 -1.876 6.537 3.860 360 HG2 ARG 46 1HG ARG 46 -1.452 5.820 6.749 361 HG3 ARG 46 2HG ARG 46 -1.412 4.645 5.432 362 HD2 ARG 46 1HD ARG 46 0.529 5.516 4.537 363 HD3 ARG 46 2HD ARG 46 0.273 7.102 5.263 364 HE ARG 46 HE ARG 46 1.760 4.988 6.371 365 HH11 ARG 46 1HH1 ARG 46 -0.558 7.419 7.284 366 HH12 ARG 46 2HH1 ARG 46 0.003 7.526 8.919 367 HH21 ARG 46 1HH2 ARG 46 2.508 5.120 8.522 368 HH22 ARG 46 2HH2 ARG 46 1.748 6.219 9.622 369 H THR 47 H THR 47 -0.991 8.590 3.254 370 HA THR 47 HA THR 47 -3.187 10.227 2.167 371 HB THR 47 HB THR 47 -1.545 11.745 1.175 372 HG1 THR 47 1HG THR 47 0.684 11.434 2.221 373 HG21 THR 47 3HG2 THR 47 -0.667 11.675 4.009 374 HG22 THR 47 1HG2 THR 47 -2.398 11.817 3.703 375 HG23 THR 47 2HG2 THR 47 -1.285 13.019 3.049 376 H ALA 48 H ALA 48 -3.235 10.397 -0.167 377 HA ALA 48 HA ALA 48 -3.319 8.119 -1.576 378 HB1 ALA 48 3HB ALA 48 -2.199 10.501 -2.987 379 HB2 ALA 48 1HB ALA 48 -3.437 9.361 -3.515 380 HB3 ALA 48 2HB ALA 48 -3.818 10.573 -2.290 381 H LYS 49 H LYS 49 -0.438 10.226 -1.557 382 HA LYS 49 HA LYS 49 1.228 8.576 -3.055 383 HB2 LYS 49 1HB LYS 49 1.649 10.766 -1.087 384 HB3 LYS 49 2HB LYS 49 3.038 9.764 -1.487 385 HG2 LYS 49 1HG LYS 49 1.417 10.856 -3.722 386 HG3 LYS 49 2HG LYS 49 2.468 11.960 -2.831 387 HD2 LYS 49 1HD LYS 49 4.401 10.716 -3.379 388 HD3 LYS 49 2HD LYS 49 3.447 9.341 -3.943 389 HE2 LYS 49 1HE LYS 49 4.202 10.406 -5.896 390 HE3 LYS 49 2HE LYS 49 2.523 10.913 -5.717 391 HZ1 LYS 49 3HZ LYS 49 3.190 13.019 -4.939 392 HZ2 LYS 49 1HZ LYS 49 4.159 12.709 -6.291 393 HZ3 LYS 49 2HZ LYS 49 4.799 12.536 -4.735 394 H GLN 50 H GLN 50 1.433 8.976 0.485 395 HA GLN 50 HA GLN 50 3.117 6.987 1.152 396 HB2 GLN 50 1HB GLN 50 0.531 7.616 2.586 397 HB3 GLN 50 2HB GLN 50 1.889 6.742 3.282 398 HG2 GLN 50 1HG GLN 50 2.145 9.534 2.214 399 HG3 GLN 50 2HG GLN 50 1.677 9.188 3.878 400 HE21 GLN 50 1HE2 GLN 50 3.785 10.618 3.832 401 HE22 GLN 50 2HE2 GLN 50 5.245 9.723 4.055 402 H VAL 51 H VAL 51 -0.282 6.572 0.297 403 HA VAL 51 HA VAL 51 -0.401 3.793 0.863 404 HB VAL 51 HB VAL 51 -2.114 5.437 -1.005 405 HG11 VAL 51 1HG1 VAL 51 -3.095 2.952 0.284 406 HG12 VAL 51 2HG1 VAL 51 -3.517 3.664 -1.275 407 HG13 VAL 51 3HG1 VAL 51 -1.998 2.786 -1.086 408 HG21 VAL 51 3HG2 VAL 51 -1.948 5.297 1.866 409 HG22 VAL 51 1HG2 VAL 51 -2.929 6.352 0.850 410 HG23 VAL 51 2HG2 VAL 51 -3.531 4.759 1.307 411 H ALA 52 H ALA 52 0.234 5.649 -2.083 412 HA ALA 52 HA ALA 52 0.278 3.552 -3.917 413 HB1 ALA 52 3HB ALA 52 0.596 5.290 -5.256 414 HB2 ALA 52 1HB ALA 52 1.014 6.312 -3.880 415 HB3 ALA 52 2HB ALA 52 2.268 5.383 -4.703 416 H SER 53 H SER 53 2.982 4.960 -2.074 417 HA SER 53 HA SER 53 4.997 3.295 -3.044 418 HB2 SER 53 1HB SER 53 4.665 4.787 -0.449 419 HB3 SER 53 2HB SER 53 6.098 3.810 -0.768 420 HG SER 53 HG SER 53 5.397 6.258 -1.757 421 H GLN 54 H GLN 54 2.926 2.907 -0.183 422 HA GLN 54 HA GLN 54 4.020 0.552 0.805 423 HB2 GLN 54 1HB GLN 54 2.147 2.115 1.747 424 HB3 GLN 54 2HB GLN 54 1.062 1.020 0.901 425 HG2 GLN 54 1HG GLN 54 1.158 0.201 3.081 426 HG3 GLN 54 2HG GLN 54 2.225 -0.856 2.158 427 HE21 GLN 54 1HE2 GLN 54 2.569 -0.927 4.763 428 HE22 GLN 54 2HE2 GLN 54 3.987 -0.071 5.253 429 H VAL 55 H VAL 55 1.577 1.038 -1.698 430 HA VAL 55 HA VAL 55 0.750 -1.593 -2.057 431 HB VAL 55 HB VAL 55 1.064 0.549 -4.165 432 HG11 VAL 55 1HG1 VAL 55 -0.982 -1.573 -4.406 433 HG12 VAL 55 2HG1 VAL 55 -0.044 -0.751 -5.655 434 HG13 VAL 55 3HG1 VAL 55 0.691 -2.044 -4.706 435 HG21 VAL 55 3HG2 VAL 55 -0.664 1.563 -3.207 436 HG22 VAL 55 1HG2 VAL 55 -1.632 0.102 -3.402 437 HG23 VAL 55 2HG2 VAL 55 -0.684 0.342 -1.934 438 H GLN 56 H GLN 56 3.468 0.133 -3.552 439 HA GLN 56 HA GLN 56 4.351 -1.729 -5.356 440 HB2 GLN 56 1HB GLN 56 5.738 0.304 -3.670 441 HB3 GLN 56 2HB GLN 56 6.722 -0.850 -4.560 442 HG2 GLN 56 1HG GLN 56 6.364 1.282 -5.753 443 HG3 GLN 56 2HG GLN 56 5.802 -0.131 -6.644 444 HE21 GLN 56 1HE2 GLN 56 3.523 -0.563 -6.669 445 HE22 GLN 56 2HE2 GLN 56 2.397 0.737 -6.509 446 H LYS 57 H LYS 57 5.246 -1.552 -1.914 447 HA LYS 57 HA LYS 57 6.624 -4.092 -2.060 448 HB2 LYS 57 1HB LYS 57 6.037 -2.252 0.265 449 HB3 LYS 57 2HB LYS 57 6.988 -3.726 0.384 450 HG2 LYS 57 1HG LYS 57 8.667 -2.221 0.142 451 HG3 LYS 57 2HG LYS 57 8.358 -2.573 -1.560 452 HD2 LYS 57 1HD LYS 57 6.987 -0.592 -1.760 453 HD3 LYS 57 2HD LYS 57 7.145 -0.270 -0.032 454 HE2 LYS 57 1HE LYS 57 9.563 -0.470 -1.791 455 HE3 LYS 57 2HE LYS 57 8.641 1.029 -1.690 456 HZ1 LYS 57 3HZ LYS 57 8.933 0.593 0.864 457 HZ2 LYS 57 1HZ LYS 57 10.145 1.360 -0.034 458 HZ3 LYS 57 2HZ LYS 57 10.284 -0.282 0.346 459 H TYR 58 H TYR 58 3.675 -3.866 -2.538 460 HA TYR 58 HA TYR 58 2.826 -5.829 -0.512 461 HB2 TYR 58 1HB TYR 58 1.434 -3.417 -1.557 462 HB3 TYR 58 2HB TYR 58 0.452 -4.847 -1.257 463 HD1 TYR 58 1HD TYR 58 3.366 -3.424 0.597 464 HD2 TYR 58 2HD TYR 58 -0.756 -4.474 0.682 465 HE1 TYR 58 1HE TYR 58 3.276 -2.854 2.987 466 HE2 TYR 58 2HE TYR 58 -0.858 -3.906 3.072 467 HH TYR 58 HH TYR 58 1.380 -3.800 5.034 468 H PHE 59 H PHE 59 2.692 -4.770 -3.855 469 HA PHE 59 HA PHE 59 1.483 -7.348 -4.599 470 HB2 PHE 59 1HB PHE 59 1.594 -4.745 -6.137 471 HB3 PHE 59 2HB PHE 59 0.900 -6.244 -6.746 472 HD1 PHE 59 2HD PHE 59 0.643 -4.196 -3.632 473 HD2 PHE 59 1HD PHE 59 -1.383 -6.320 -6.714 474 HE1 PHE 59 2HE PHE 59 -1.518 -3.600 -2.618 475 HE2 PHE 59 1HE PHE 59 -3.547 -5.727 -5.705 476 HZ PHE 59 HZ PHE 59 -3.617 -4.366 -3.654 477 H ILE 60 H ILE 60 3.944 -5.003 -5.651 478 HA ILE 60 HA ILE 60 5.144 -6.648 -7.588 479 HB ILE 60 HB ILE 60 6.443 -4.452 -5.971 480 HG12 ILE 60 1HG1 ILE 60 5.148 -4.284 -8.698 481 HG13 ILE 60 2HG1 ILE 60 4.350 -3.805 -7.204 482 HG21 ILE 60 1HG2 ILE 60 8.300 -5.099 -7.017 483 HG22 ILE 60 2HG2 ILE 60 7.413 -6.210 -8.059 484 HG23 ILE 60 3HG2 ILE 60 7.557 -4.509 -8.504 485 HD11 ILE 60 3HD1 ILE 60 6.403 -2.429 -8.778 486 HD12 ILE 60 1HD1 ILE 60 5.139 -1.780 -7.733 487 HD13 ILE 60 2HD1 ILE 60 6.640 -2.384 -7.031 488 H LYS 61 H LYS 61 5.765 -6.239 -4.137 489 HA LYS 61 HA LYS 61 8.143 -7.629 -3.884 490 HB2 LYS 61 1HB LYS 61 7.083 -6.404 -2.040 491 HB3 LYS 61 2HB LYS 61 5.801 -7.606 -1.969 492 HG2 LYS 61 1HG LYS 61 7.710 -9.290 -1.554 493 HG3 LYS 61 2HG LYS 61 8.670 -7.861 -1.165 494 HD2 LYS 61 1HD LYS 61 7.853 -8.360 0.912 495 HD3 LYS 61 2HD LYS 61 6.571 -7.292 0.336 496 HE2 LYS 61 1HE LYS 61 5.253 -9.230 -0.342 497 HE3 LYS 61 2HE LYS 61 6.543 -10.307 0.194 498 HZ1 LYS 61 3HZ LYS 61 6.061 -8.781 2.379 499 HZ2 LYS 61 1HZ LYS 61 5.446 -10.336 2.117 500 HZ3 LYS 61 2HZ LYS 61 4.511 -8.981 1.731 501 H LEU 62 H LEU 62 4.836 -8.886 -3.998 502 HA LEU 62 HA LEU 62 5.492 -11.582 -3.485 503 HB2 LEU 62 1HB LEU 62 3.170 -10.582 -5.119 504 HB3 LEU 62 2HB LEU 62 3.287 -12.109 -4.246 505 HG LEU 62 HG LEU 62 3.440 -9.547 -2.721 506 HD11 LEU 62 1HD1 LEU 62 0.842 -10.834 -3.534 507 HD12 LEU 62 2HD1 LEU 62 1.496 -9.375 -4.278 508 HD13 LEU 62 3HD1 LEU 62 1.066 -9.375 -2.567 509 HD21 LEU 62 3HD2 LEU 62 2.347 -10.928 -1.012 510 HD22 LEU 62 1HD2 LEU 62 3.860 -11.643 -1.568 511 HD23 LEU 62 2HD2 LEU 62 2.320 -12.287 -2.137 512 H THR 63 H THR 63 4.529 -10.100 -6.586 513 HA THR 63 HA THR 63 5.037 -12.140 -8.301 514 HB THR 63 HB THR 63 5.720 -10.391 -10.001 515 HG1 THR 63 1HG THR 63 6.622 -8.785 -8.802 516 HG21 THR 63 3HG2 THR 63 3.535 -10.110 -10.381 517 HG22 THR 63 1HG2 THR 63 3.323 -9.188 -8.893 518 HG23 THR 63 2HG2 THR 63 3.252 -10.950 -8.857 519 H LYS 64 H LYS 64 6.770 -13.060 -9.321 520 HA LYS 64 HA LYS 64 8.898 -13.962 -9.213 521 HB2 LYS 64 1HB LYS 64 9.110 -11.111 -10.107 522 HB3 LYS 64 2HB LYS 64 10.570 -12.079 -9.947 523 HG2 LYS 64 1HG LYS 64 9.604 -13.737 -11.495 524 HG3 LYS 64 2HG LYS 64 8.198 -12.690 -11.699 525 HD2 LYS 64 1HD LYS 64 10.992 -11.718 -12.229 526 HD3 LYS 64 2HD LYS 64 10.043 -12.548 -13.465 527 HE2 LYS 64 1HE LYS 64 8.270 -10.855 -13.196 528 HE3 LYS 64 2HE LYS 64 9.277 -10.013 -12.020 529 HZ1 LYS 64 3HZ LYS 64 9.765 -10.366 -14.918 530 HZ2 LYS 64 1HZ LYS 64 10.990 -9.891 -13.852 531 HZ3 LYS 64 2HZ LYS 64 9.618 -8.921 -14.049 532 H ALA 65 H ALA 65 8.206 -13.640 -6.640 533 HA ALA 65 HA ALA 65 9.378 -12.031 -4.871 534 HB1 ALA 65 3HB ALA 65 9.514 -15.036 -4.662 535 HB2 ALA 65 1HB ALA 65 9.599 -13.888 -3.326 536 HB3 ALA 65 2HB ALA 65 8.112 -14.045 -4.261 537 H GLY 66 H GLY 66 11.375 -11.817 -3.790 538 HA2 GLY 66 1HA GLY 66 13.678 -12.279 -3.465 539 HA3 GLY 66 2HA GLY 66 13.686 -13.170 -4.980 540 H ILE 67 H ILE 67 12.498 -9.895 -4.323 541 HA ILE 67 HA ILE 67 14.177 -8.913 -6.502 542 HB ILE 67 HB ILE 67 11.918 -7.607 -4.986 543 HG12 ILE 67 1HG1 ILE 67 11.032 -7.644 -7.466 544 HG13 ILE 67 2HG1 ILE 67 12.196 -8.952 -7.647 545 HG21 ILE 67 1HG2 ILE 67 12.661 -6.250 -7.405 546 HG22 ILE 67 2HG2 ILE 67 12.531 -5.620 -5.764 547 HG23 ILE 67 3HG2 ILE 67 14.040 -6.349 -6.310 548 HD11 ILE 67 3HD1 ILE 67 11.028 -10.360 -6.283 549 HD12 ILE 67 1HD1 ILE 67 10.287 -9.045 -5.372 550 HD13 ILE 67 2HD1 ILE 67 9.710 -9.430 -6.994 551 HA PRO 68 HA PRO 68 17.135 -7.276 -3.635 552 HB2 PRO 68 1HB PRO 68 18.533 -5.791 -5.427 553 HB3 PRO 68 2HB PRO 68 18.674 -7.550 -5.319 554 HG2 PRO 68 1HG PRO 68 17.074 -5.891 -7.229 555 HG3 PRO 68 2HG PRO 68 18.061 -7.328 -7.552 556 HD2 PRO 68 1HD PRO 68 15.365 -7.433 -7.329 557 HD3 PRO 68 2HD PRO 68 16.417 -8.774 -6.831 558 H VAL 69 H VAL 69 16.652 -5.713 -2.237 559 HA VAL 69 HA VAL 69 15.319 -3.285 -3.160 560 HB VAL 69 HB VAL 69 15.888 -4.257 -0.356 561 HG11 VAL 69 1HG1 VAL 69 13.905 -2.426 -0.116 562 HG12 VAL 69 2HG1 VAL 69 15.617 -2.077 0.136 563 HG13 VAL 69 3HG1 VAL 69 14.862 -1.715 -1.416 564 HG21 VAL 69 3HG2 VAL 69 13.428 -4.628 -0.298 565 HG22 VAL 69 1HG2 VAL 69 13.378 -4.276 -2.025 566 HG23 VAL 69 2HG2 VAL 69 14.276 -5.674 -1.436 567 H SER 70 H SER 70 16.109 -1.215 -2.818 568 HA SER 70 HA SER 70 18.960 -1.053 -2.085 569 HB2 SER 70 1HB SER 70 19.289 0.645 -3.739 570 HB3 SER 70 2HB SER 70 18.431 -0.676 -4.533 571 HG SER 70 HG SER 70 17.694 1.868 -4.311 572 H GLY 71 H GLY 71 19.266 0.012 -0.252 573 HA2 GLY 71 1HA GLY 71 18.251 2.603 0.231 574 HA3 GLY 71 2HA GLY 71 17.303 1.432 1.136 575 HA PRO 72 HA PRO 72 21.886 1.395 2.783 576 HB2 PRO 72 1HB PRO 72 23.240 3.705 2.333 577 HB3 PRO 72 2HB PRO 72 23.306 2.323 1.233 578 HG2 PRO 72 1HG PRO 72 21.672 4.823 1.038 579 HG3 PRO 72 2HG PRO 72 22.571 3.972 -0.232 580 HD2 PRO 72 1HD PRO 72 19.890 3.729 0.068 581 HD3 PRO 72 2HD PRO 72 20.908 2.404 -0.533 582 H SER 73 H SER 73 20.419 1.585 4.600 583 HA SER 73 HA SER 73 19.598 4.060 5.676 584 HB2 SER 73 1HB SER 73 18.408 2.154 6.414 585 HB3 SER 73 2HB SER 73 19.886 1.298 6.853 586 HG SER 73 HG SER 73 18.416 2.589 8.485 587 H SER 74 H SER 74 22.372 1.969 6.389 588 HA SER 74 HA SER 74 24.022 4.158 7.120 589 HB2 SER 74 1HB SER 74 22.431 3.758 9.155 590 HB3 SER 74 2HB SER 74 23.464 2.361 9.461 591 HG SER 74 HG SER 74 24.716 4.802 8.972 592 H GLY 75 H GLY 75 26.176 3.429 7.896 593 HA2 GLY 75 1HA GLY 75 27.779 1.678 8.202 594 HA3 GLY 75 2HA GLY 75 26.731 0.606 7.285 Start of MODEL 7 1 H1 GLY 1 H GLY 1 9.264 -5.506 9.879 2 HA2 GLY 1 1HA GLY 1 11.693 -5.486 9.561 3 HA3 GLY 1 2HA GLY 1 11.196 -7.060 10.164 4 H SER 2 H SER 2 11.243 -8.843 8.807 5 HA SER 2 HA SER 2 12.245 -10.143 7.216 6 HB2 SER 2 1HB SER 2 10.935 -7.967 5.589 7 HB3 SER 2 2HB SER 2 11.721 -9.355 4.838 8 HG SER 2 HG SER 2 9.364 -9.219 6.315 9 H SER 3 H SER 3 14.080 -8.477 8.457 10 HA SER 3 HA SER 3 16.159 -7.568 8.254 11 HB2 SER 3 1HB SER 3 16.310 -9.902 7.081 12 HB3 SER 3 2HB SER 3 16.455 -8.947 5.605 13 HG SER 3 HG SER 3 18.433 -8.510 6.136 14 H GLY 4 H GLY 4 14.130 -5.887 7.365 15 HA2 GLY 4 1HA GLY 4 15.498 -4.473 5.160 16 HA3 GLY 4 2HA GLY 4 13.746 -4.575 5.248 17 H SER 5 H SER 5 12.694 -3.567 7.115 18 HA SER 5 HA SER 5 13.402 -0.918 7.450 19 HB2 SER 5 1HB SER 5 11.182 -2.116 8.009 20 HB3 SER 5 2HB SER 5 11.907 -2.423 9.587 21 HG SER 5 HG SER 5 12.057 -0.229 9.927 22 H SER 6 H SER 6 14.301 0.268 9.178 23 HA SER 6 HA SER 6 16.468 -1.126 10.511 24 HB2 SER 6 1HB SER 6 16.987 0.998 9.462 25 HB3 SER 6 2HB SER 6 15.730 1.808 10.398 26 HG SER 6 HG SER 6 18.090 1.830 11.122 27 H GLY 7 H GLY 7 13.999 1.220 11.596 28 HA2 GLY 7 1HA GLY 7 14.081 -0.089 14.240 29 HA3 GLY 7 2HA GLY 7 13.653 1.594 13.971 30 H ASN 8 H ASN 8 12.532 -1.310 12.270 31 HA ASN 8 HA ASN 8 10.391 -1.903 11.686 32 HB2 ASN 8 1HB ASN 8 10.205 -1.614 14.691 33 HB3 ASN 8 2HB ASN 8 8.984 -2.410 13.703 34 HD21 ASN 8 1HD2 ASN 8 10.285 -3.920 11.992 35 HD22 ASN 8 2HD2 ASN 8 11.300 -5.071 12.786 36 H GLN 9 H GLN 9 10.774 0.828 11.259 37 HA GLN 9 HA GLN 9 8.453 2.202 12.345 38 HB2 GLN 9 1HB GLN 9 9.318 4.166 11.163 39 HB3 GLN 9 2HB GLN 9 10.561 3.428 12.164 40 HG2 GLN 9 1HG GLN 9 11.793 2.733 10.376 41 HG3 GLN 9 2HG GLN 9 10.391 2.619 9.313 42 HE21 GLN 9 1HE2 GLN 9 12.707 3.790 8.455 43 HE22 GLN 9 2HE2 GLN 9 12.465 5.489 8.261 44 H LEU 10 H LEU 10 7.752 0.006 10.803 45 HA LEU 10 HA LEU 10 6.865 1.132 8.243 46 HB2 LEU 10 1HB LEU 10 7.353 -1.609 9.265 47 HB3 LEU 10 2HB LEU 10 6.076 -1.406 8.068 48 HG LEU 10 HG LEU 10 8.957 -0.596 7.681 49 HD11 LEU 10 1HD1 LEU 10 9.104 -2.516 6.195 50 HD12 LEU 10 2HD1 LEU 10 7.448 -2.970 6.595 51 HD13 LEU 10 3HD1 LEU 10 8.700 -3.023 7.835 52 HD21 LEU 10 3HD2 LEU 10 6.493 -0.116 6.190 53 HD22 LEU 10 1HD2 LEU 10 7.777 -0.841 5.221 54 HD23 LEU 10 2HD2 LEU 10 8.065 0.677 6.073 55 H TRP 11 H TRP 11 4.632 0.379 7.540 56 HA TRP 11 HA TRP 11 2.640 1.542 8.917 57 HB2 TRP 11 1HB TRP 11 2.597 -0.890 7.154 58 HB3 TRP 11 2HB TRP 11 1.110 -0.294 7.887 59 HD1 TRP 11 HD TRP 11 4.009 1.569 6.077 60 HE1 TRP 11 1HE TRP 11 2.962 3.094 4.288 61 HE3 TRP 11 3HE TRP 11 -0.911 0.360 6.759 62 HZ2 TRP 11 2HZ TRP 11 0.390 3.705 3.297 63 HZ3 TRP 11 3HZ TRP 11 -2.602 1.460 5.350 64 HH2 TRP 11 HH TRP 11 -1.963 3.098 3.656 65 H THR 12 H THR 12 0.922 0.821 10.301 66 HA THR 12 HA THR 12 1.830 -1.219 12.213 67 HB THR 12 HB THR 12 1.476 1.045 13.137 68 HG1 THR 12 1HG THR 12 1.144 -0.513 14.641 69 HG21 THR 12 3HG2 THR 12 -1.417 0.595 12.393 70 HG22 THR 12 1HG2 THR 12 -0.331 1.753 11.626 71 HG23 THR 12 2HG2 THR 12 -0.781 1.954 13.319 72 H VAL 13 H VAL 13 0.389 -2.780 13.010 73 HA VAL 13 HA VAL 13 -1.153 -4.189 11.319 74 HB VAL 13 HB VAL 13 -0.663 -5.003 13.550 75 HG11 VAL 13 1HG1 VAL 13 -1.911 -4.206 15.505 76 HG12 VAL 13 2HG1 VAL 13 -0.936 -2.923 14.786 77 HG13 VAL 13 3HG1 VAL 13 -2.677 -2.971 14.507 78 HG21 VAL 13 3HG2 VAL 13 -3.159 -5.640 14.168 79 HG22 VAL 13 1HG2 VAL 13 -3.468 -4.951 12.574 80 HG23 VAL 13 2HG2 VAL 13 -2.355 -6.308 12.748 81 H GLU 14 H GLU 14 -2.311 -1.493 13.314 82 HA GLU 14 HA GLU 14 -5.009 -1.595 12.736 83 HB2 GLU 14 1HB GLU 14 -3.118 0.579 13.473 84 HB3 GLU 14 2HB GLU 14 -4.700 1.054 12.871 85 HG2 GLU 14 1HG GLU 14 -5.798 -0.155 14.622 86 HG3 GLU 14 2HG GLU 14 -4.268 -0.839 15.168 87 H GLU 15 H GLU 15 -2.406 -0.089 10.867 88 HA GLU 15 HA GLU 15 -4.220 0.827 8.818 89 HB2 GLU 15 1HB GLU 15 -1.201 0.728 8.745 90 HB3 GLU 15 2HB GLU 15 -2.252 1.680 7.705 91 HG2 GLU 15 1HG GLU 15 -2.860 3.121 9.471 92 HG3 GLU 15 2HG GLU 15 -2.153 2.052 10.682 93 H GLN 16 H GLN 16 -1.963 -1.825 9.288 94 HA GLN 16 HA GLN 16 -1.686 -2.831 6.757 95 HB2 GLN 16 1HB GLN 16 -2.091 -4.373 9.324 96 HB3 GLN 16 2HB GLN 16 -1.505 -5.076 7.822 97 HG2 GLN 16 1HG GLN 16 0.272 -3.126 8.039 98 HG3 GLN 16 2HG GLN 16 -0.135 -3.290 9.746 99 HE21 GLN 16 1HE2 GLN 16 2.372 -3.865 8.451 100 HE22 GLN 16 2HE2 GLN 16 2.704 -5.537 8.727 101 H LYS 17 H LYS 17 -4.159 -4.017 9.039 102 HA LYS 17 HA LYS 17 -5.643 -5.502 7.248 103 HB2 LYS 17 1HB LYS 17 -7.521 -5.258 8.818 104 HB3 LYS 17 2HB LYS 17 -6.012 -5.596 9.655 105 HG2 LYS 17 1HG LYS 17 -5.877 -3.007 9.887 106 HG3 LYS 17 2HG LYS 17 -7.613 -3.081 9.578 107 HD2 LYS 17 1HD LYS 17 -7.636 -4.877 11.433 108 HD3 LYS 17 2HD LYS 17 -6.050 -4.233 11.863 109 HE2 LYS 17 1HE LYS 17 -6.903 -2.218 12.549 110 HE3 LYS 17 2HE LYS 17 -8.304 -2.326 11.484 111 HZ1 LYS 17 3HZ LYS 17 -9.179 -4.081 12.952 112 HZ2 LYS 17 1HZ LYS 17 -9.002 -2.596 13.744 113 HZ3 LYS 17 2HZ LYS 17 -7.879 -3.833 14.006 114 H LYS 18 H LYS 18 -5.973 -2.067 8.058 115 HA LYS 18 HA LYS 18 -8.255 -1.497 6.567 116 HB2 LYS 18 1HB LYS 18 -7.026 0.013 8.206 117 HB3 LYS 18 2HB LYS 18 -5.923 0.390 6.889 118 HG2 LYS 18 1HG LYS 18 -7.439 1.670 5.798 119 HG3 LYS 18 2HG LYS 18 -8.813 0.705 6.345 120 HD2 LYS 18 1HD LYS 18 -7.316 2.251 8.390 121 HD3 LYS 18 2HD LYS 18 -8.338 3.154 7.269 122 HE2 LYS 18 1HE LYS 18 -9.752 2.689 9.064 123 HE3 LYS 18 2HE LYS 18 -10.162 1.454 7.873 124 HZ1 LYS 18 3HZ LYS 18 -9.814 0.744 10.292 125 HZ2 LYS 18 1HZ LYS 18 -8.161 0.921 9.975 126 HZ3 LYS 18 2HZ LYS 18 -9.080 -0.182 9.081 127 H LEU 19 H LEU 19 -4.927 -0.689 5.563 128 HA LEU 19 HA LEU 19 -5.391 -0.043 2.955 129 HB2 LEU 19 1HB LEU 19 -3.217 0.226 3.875 130 HB3 LEU 19 2HB LEU 19 -3.062 -1.503 4.178 131 HG LEU 19 HG LEU 19 -3.045 -1.849 1.697 132 HD11 LEU 19 1HD1 LEU 19 -2.227 0.417 0.571 133 HD12 LEU 19 2HD1 LEU 19 -3.298 1.101 1.794 134 HD13 LEU 19 3HD1 LEU 19 -3.925 -0.056 0.620 135 HD21 LEU 19 3HD2 LEU 19 -0.926 -0.305 3.142 136 HD22 LEU 19 1HD2 LEU 19 -0.710 -0.765 1.453 137 HD23 LEU 19 2HD2 LEU 19 -0.951 -2.008 2.681 138 H GLU 20 H GLU 20 -4.568 -3.314 4.119 139 HA GLU 20 HA GLU 20 -4.707 -4.697 1.753 140 HB2 GLU 20 1HB GLU 20 -5.401 -5.470 4.569 141 HB3 GLU 20 2HB GLU 20 -5.615 -6.616 3.253 142 HG2 GLU 20 1HG GLU 20 -3.204 -6.244 2.671 143 HG3 GLU 20 2HG GLU 20 -3.060 -5.329 4.170 144 H GLN 21 H GLN 21 -7.411 -4.130 4.005 145 HA GLN 21 HA GLN 21 -9.390 -5.333 2.423 146 HB2 GLN 21 1HB GLN 21 -9.474 -3.272 4.609 147 HB3 GLN 21 2HB GLN 21 -10.942 -3.772 3.779 148 HG2 GLN 21 1HG GLN 21 -9.100 -5.769 5.038 149 HG3 GLN 21 2HG GLN 21 -10.338 -4.932 5.972 150 HE21 GLN 21 1HE2 GLN 21 -12.540 -4.938 4.747 151 HE22 GLN 21 2HE2 GLN 21 -13.040 -6.488 4.172 152 H LEU 22 H LEU 22 -8.823 -1.842 2.911 153 HA LEU 22 HA LEU 22 -10.552 -0.825 1.061 154 HB2 LEU 22 1HB LEU 22 -7.779 0.128 1.749 155 HB3 LEU 22 2HB LEU 22 -8.934 1.067 0.804 156 HG LEU 22 HG LEU 22 -9.436 0.155 3.633 157 HD11 LEU 22 1HD1 LEU 22 -8.629 2.920 2.780 158 HD12 LEU 22 2HD1 LEU 22 -7.464 1.720 3.340 159 HD13 LEU 22 3HD1 LEU 22 -8.752 2.265 4.414 160 HD21 LEU 22 3HD2 LEU 22 -11.009 2.253 3.331 161 HD22 LEU 22 1HD2 LEU 22 -11.514 0.642 2.819 162 HD23 LEU 22 2HD2 LEU 22 -10.903 1.793 1.631 163 H LEU 23 H LEU 23 -7.327 -2.136 0.468 164 HA LEU 23 HA LEU 23 -6.985 -1.415 -2.184 165 HB2 LEU 23 1HB LEU 23 -6.082 -3.763 -0.568 166 HB3 LEU 23 2HB LEU 23 -5.729 -3.690 -2.293 167 HG LEU 23 HG LEU 23 -4.871 -1.621 -0.271 168 HD11 LEU 23 1HD1 LEU 23 -3.862 -4.004 -0.163 169 HD12 LEU 23 2HD1 LEU 23 -2.784 -2.608 -0.170 170 HD13 LEU 23 3HD1 LEU 23 -3.036 -3.535 -1.649 171 HD21 LEU 23 3HD2 LEU 23 -5.112 -0.677 -2.474 172 HD22 LEU 23 1HD2 LEU 23 -4.212 -2.016 -3.187 173 HD23 LEU 23 2HD2 LEU 23 -3.396 -0.877 -2.116 174 H ILE 24 H ILE 24 -8.576 -4.314 -0.877 175 HA ILE 24 HA ILE 24 -9.295 -5.360 -3.420 176 HB ILE 24 HB ILE 24 -10.513 -5.938 -0.717 177 HG12 ILE 24 1HG1 ILE 24 -8.520 -7.653 -2.179 178 HG13 ILE 24 2HG1 ILE 24 -7.988 -6.348 -1.124 179 HG21 ILE 24 1HG2 ILE 24 -11.958 -6.588 -2.586 180 HG22 ILE 24 2HG2 ILE 24 -10.633 -7.523 -3.279 181 HG23 ILE 24 3HG2 ILE 24 -11.328 -7.995 -1.729 182 HD11 ILE 24 3HD1 ILE 24 -9.607 -8.762 -0.361 183 HD12 ILE 24 1HD1 ILE 24 -7.949 -8.386 0.108 184 HD13 ILE 24 2HD1 ILE 24 -9.282 -7.404 0.716 185 H LYS 25 H LYS 25 -11.004 -3.416 -1.006 186 HA LYS 25 HA LYS 25 -13.515 -3.410 -2.287 187 HB2 LYS 25 1HB LYS 25 -13.351 -2.768 0.025 188 HB3 LYS 25 2HB LYS 25 -12.248 -1.454 -0.365 189 HG2 LYS 25 1HG LYS 25 -14.111 -0.420 -1.693 190 HG3 LYS 25 2HG LYS 25 -15.178 -1.648 -1.008 191 HD2 LYS 25 1HD LYS 25 -14.489 -0.865 1.264 192 HD3 LYS 25 2HD LYS 25 -13.615 0.456 0.485 193 HE2 LYS 25 1HE LYS 25 -15.725 1.321 1.140 194 HE3 LYS 25 2HE LYS 25 -15.785 1.103 -0.609 195 HZ1 LYS 25 3HZ LYS 25 -16.726 -1.242 0.211 196 HZ2 LYS 25 1HZ LYS 25 -17.715 0.092 -0.112 197 HZ3 LYS 25 2HZ LYS 25 -17.267 -0.263 1.480 198 H TYR 26 H TYR 26 -10.628 -1.489 -2.722 199 HA TYR 26 HA TYR 26 -12.020 0.223 -4.657 200 HB2 TYR 26 1HB TYR 26 -9.462 0.496 -3.113 201 HB3 TYR 26 2HB TYR 26 -9.702 1.426 -4.588 202 HD1 TYR 26 1HD TYR 26 -11.464 3.140 -4.704 203 HD2 TYR 26 2HD TYR 26 -10.664 1.023 -1.100 204 HE1 TYR 26 1HE TYR 26 -12.723 4.831 -3.438 205 HE2 TYR 26 2HE TYR 26 -11.922 2.708 0.176 206 HH TYR 26 HH TYR 26 -12.748 5.688 -1.032 207 HA PRO 27 HA PRO 27 -10.105 -2.673 -7.582 208 HB2 PRO 27 1HB PRO 27 -11.783 -2.041 -9.621 209 HB3 PRO 27 2HB PRO 27 -12.214 -3.181 -8.340 210 HG2 PRO 27 1HG PRO 27 -12.946 -0.293 -8.631 211 HG3 PRO 27 2HG PRO 27 -13.961 -1.660 -8.134 212 HD2 PRO 27 1HD PRO 27 -12.885 0.078 -6.357 213 HD3 PRO 27 2HD PRO 27 -13.155 -1.634 -5.974 214 HA PRO 28 HA PRO 28 -7.561 -0.005 -9.978 215 HB2 PRO 28 1HB PRO 28 -7.432 -1.257 -12.384 216 HB3 PRO 28 2HB PRO 28 -6.629 -1.874 -10.935 217 HG2 PRO 28 1HG PRO 28 -9.232 -2.707 -12.158 218 HG3 PRO 28 2HG PRO 28 -7.935 -3.716 -11.490 219 HD2 PRO 28 1HD PRO 28 -10.193 -3.144 -10.110 220 HD3 PRO 28 2HD PRO 28 -8.623 -3.382 -9.316 221 H GLU 29 H GLU 29 -7.438 1.407 -11.869 222 HA GLU 29 HA GLU 29 -9.836 1.797 -13.438 223 HB2 GLU 29 1HB GLU 29 -9.836 4.290 -12.727 224 HB3 GLU 29 2HB GLU 29 -10.617 3.109 -11.686 225 HG2 GLU 29 1HG GLU 29 -7.799 4.069 -11.278 226 HG3 GLU 29 2HG GLU 29 -9.206 4.811 -10.517 227 H GLU 30 H GLU 30 -9.445 4.140 -14.607 228 HA GLU 30 HA GLU 30 -7.322 3.700 -16.378 229 HB2 GLU 30 1HB GLU 30 -9.421 5.075 -16.772 230 HB3 GLU 30 2HB GLU 30 -8.630 6.372 -15.888 231 HG2 GLU 30 1HG GLU 30 -8.469 6.535 -18.370 232 HG3 GLU 30 2HG GLU 30 -6.924 6.564 -17.521 233 H VAL 31 H VAL 31 -7.642 6.092 -13.762 234 HA VAL 31 HA VAL 31 -4.786 6.697 -13.990 235 HB VAL 31 HB VAL 31 -6.600 8.083 -12.058 236 HG11 VAL 31 1HG1 VAL 31 -4.750 9.665 -13.637 237 HG12 VAL 31 2HG1 VAL 31 -4.911 9.529 -11.885 238 HG13 VAL 31 3HG1 VAL 31 -3.944 8.354 -12.776 239 HG21 VAL 31 3HG2 VAL 31 -6.970 8.012 -14.924 240 HG22 VAL 31 1HG2 VAL 31 -7.975 8.751 -13.677 241 HG23 VAL 31 2HG2 VAL 31 -6.617 9.645 -14.361 242 H GLU 32 H GLU 32 -3.321 6.139 -12.481 243 HA GLU 32 HA GLU 32 -4.196 4.361 -10.353 244 HB2 GLU 32 1HB GLU 32 -2.229 3.880 -11.891 245 HB3 GLU 32 2HB GLU 32 -1.361 5.140 -11.024 246 HG2 GLU 32 1HG GLU 32 -1.812 3.850 -8.915 247 HG3 GLU 32 2HG GLU 32 -2.398 2.539 -9.937 248 H SER 33 H SER 33 -3.876 7.599 -10.650 249 HA SER 33 HA SER 33 -2.725 8.042 -7.998 250 HB2 SER 33 1HB SER 33 -1.809 9.588 -9.494 251 HB3 SER 33 2HB SER 33 -3.340 9.828 -10.335 252 HG SER 33 HG SER 33 -3.719 11.413 -9.027 253 H ARG 34 H ARG 34 -5.748 8.088 -9.700 254 HA ARG 34 HA ARG 34 -7.173 9.591 -7.711 255 HB2 ARG 34 1HB ARG 34 -7.936 8.057 -10.168 256 HB3 ARG 34 2HB ARG 34 -9.181 8.531 -9.020 257 HG2 ARG 34 1HG ARG 34 -9.128 10.210 -10.668 258 HG3 ARG 34 2HG ARG 34 -8.326 10.892 -9.251 259 HD2 ARG 34 1HD ARG 34 -6.165 9.975 -10.392 260 HD3 ARG 34 2HD ARG 34 -7.157 9.995 -11.850 261 HE ARG 34 HE ARG 34 -6.112 12.273 -10.423 262 HH11 ARG 34 1HH1 ARG 34 -8.496 11.122 -12.684 263 HH12 ARG 34 2HH1 ARG 34 -8.746 12.674 -13.411 264 HH21 ARG 34 1HH2 ARG 34 -6.432 14.322 -11.372 265 HH22 ARG 34 2HH2 ARG 34 -7.571 14.494 -12.664 266 H ARG 35 H ARG 35 -6.367 6.263 -8.238 267 HA ARG 35 HA ARG 35 -8.394 5.105 -6.623 268 HB2 ARG 35 1HB ARG 35 -7.238 3.727 -8.216 269 HB3 ARG 35 2HB ARG 35 -5.682 4.098 -7.487 270 HG2 ARG 35 1HG ARG 35 -6.331 2.895 -5.468 271 HG3 ARG 35 2HG ARG 35 -7.902 2.534 -6.186 272 HD2 ARG 35 1HD ARG 35 -6.885 1.205 -7.898 273 HD3 ARG 35 2HD ARG 35 -5.271 1.707 -7.397 274 HE ARG 35 HE ARG 35 -6.362 0.518 -5.184 275 HH11 ARG 35 1HH1 ARG 35 -5.745 -0.437 -8.475 276 HH12 ARG 35 2HH1 ARG 35 -5.514 -2.109 -8.085 277 HH21 ARG 35 1HH2 ARG 35 -6.060 -1.681 -4.657 278 HH22 ARG 35 2HH2 ARG 35 -5.694 -2.816 -5.913 279 H TRP 36 H TRP 36 -5.042 6.073 -5.986 280 HA TRP 36 HA TRP 36 -4.996 5.196 -3.295 281 HB2 TRP 36 1HB TRP 36 -3.329 7.430 -4.456 282 HB3 TRP 36 2HB TRP 36 -2.928 6.378 -3.102 283 HD1 TRP 36 HD TRP 36 -1.669 6.849 -6.316 284 HE1 TRP 36 1HE TRP 36 -0.853 4.684 -7.444 285 HE3 TRP 36 3HE TRP 36 -4.054 3.439 -3.347 286 HZ2 TRP 36 2HZ TRP 36 -1.178 1.899 -7.118 287 HZ3 TRP 36 3HZ TRP 36 -3.750 1.044 -3.822 288 HH2 TRP 36 HH TRP 36 -2.342 0.292 -5.669 289 H GLN 37 H GLN 37 -5.713 8.321 -4.797 290 HA GLN 37 HA GLN 37 -5.890 9.929 -2.568 291 HB2 GLN 37 1HB GLN 37 -6.199 10.534 -5.044 292 HB3 GLN 37 2HB GLN 37 -7.886 10.094 -4.816 293 HG2 GLN 37 1HG GLN 37 -7.814 12.412 -4.540 294 HG3 GLN 37 2HG GLN 37 -7.913 11.758 -2.906 295 HE21 GLN 37 1HE2 GLN 37 -5.942 11.640 -1.668 296 HE22 GLN 37 2HE2 GLN 37 -4.684 12.788 -1.953 297 H LYS 38 H LYS 38 -8.296 7.688 -3.856 298 HA LYS 38 HA LYS 38 -10.358 8.405 -2.035 299 HB2 LYS 38 1HB LYS 38 -9.949 5.868 -3.629 300 HB3 LYS 38 2HB LYS 38 -11.426 6.293 -2.773 301 HG2 LYS 38 1HG LYS 38 -11.816 8.150 -4.218 302 HG3 LYS 38 2HG LYS 38 -10.230 7.964 -4.971 303 HD2 LYS 38 1HD LYS 38 -11.141 5.551 -5.506 304 HD3 LYS 38 2HD LYS 38 -12.707 6.344 -5.319 305 HE2 LYS 38 1HE LYS 38 -10.524 7.372 -7.121 306 HE3 LYS 38 2HE LYS 38 -11.796 6.279 -7.664 307 HZ1 LYS 38 3HZ LYS 38 -13.410 7.886 -7.394 308 HZ2 LYS 38 1HZ LYS 38 -12.105 8.801 -7.961 309 HZ3 LYS 38 2HZ LYS 38 -12.488 8.804 -6.313 310 H ILE 39 H ILE 39 -8.325 5.474 -2.189 311 HA ILE 39 HA ILE 39 -9.064 4.273 0.155 312 HB ILE 39 HB ILE 39 -6.335 4.401 -1.118 313 HG12 ILE 39 1HG1 ILE 39 -8.241 2.071 -0.999 314 HG13 ILE 39 2HG1 ILE 39 -8.354 3.292 -2.262 315 HG21 ILE 39 1HG2 ILE 39 -7.266 2.696 1.187 316 HG22 ILE 39 2HG2 ILE 39 -5.776 2.432 0.282 317 HG23 ILE 39 3HG2 ILE 39 -5.990 3.914 1.213 318 HD11 ILE 39 3HD1 ILE 39 -7.056 1.155 -2.763 319 HD12 ILE 39 1HD1 ILE 39 -6.303 2.693 -3.184 320 HD13 ILE 39 2HD1 ILE 39 -5.797 1.831 -1.730 321 H ALA 40 H ALA 40 -6.655 6.840 -0.259 322 HA ALA 40 HA ALA 40 -5.714 6.948 2.366 323 HB1 ALA 40 3HB ALA 40 -4.705 8.115 0.416 324 HB2 ALA 40 1HB ALA 40 -6.017 9.291 0.494 325 HB3 ALA 40 2HB ALA 40 -4.887 9.138 1.841 326 H ASP 41 H ASP 41 -8.356 8.783 0.842 327 HA ASP 41 HA ASP 41 -9.130 10.414 2.885 328 HB2 ASP 41 1HB ASP 41 -10.160 10.062 0.524 329 HB3 ASP 41 2HB ASP 41 -11.217 8.909 1.334 330 H GLU 42 H GLU 42 -10.083 7.019 2.443 331 HA GLU 42 HA GLU 42 -11.773 6.814 4.659 332 HB2 GLU 42 1HB GLU 42 -10.232 4.886 2.995 333 HB3 GLU 42 2HB GLU 42 -10.862 4.311 4.532 334 HG2 GLU 42 1HG GLU 42 -12.473 5.531 2.301 335 HG3 GLU 42 2HG GLU 42 -12.393 3.820 2.716 336 H LEU 43 H LEU 43 -8.288 6.207 4.375 337 HA LEU 43 HA LEU 43 -7.855 5.320 6.996 338 HB2 LEU 43 1HB LEU 43 -6.103 6.624 4.945 339 HB3 LEU 43 2HB LEU 43 -5.489 6.249 6.554 340 HG LEU 43 HG LEU 43 -6.767 4.071 4.972 341 HD11 LEU 43 1HD1 LEU 43 -3.863 4.484 4.593 342 HD12 LEU 43 2HD1 LEU 43 -4.948 5.520 3.667 343 HD13 LEU 43 3HD1 LEU 43 -5.061 3.767 3.515 344 HD21 LEU 43 3HD2 LEU 43 -6.094 3.036 6.832 345 HD22 LEU 43 1HD2 LEU 43 -5.059 4.382 7.309 346 HD23 LEU 43 2HD2 LEU 43 -4.462 3.171 6.174 347 H GLY 44 H GLY 44 -7.248 8.569 5.637 348 HA2 GLY 44 1HA GLY 44 -7.911 10.584 6.717 349 HA3 GLY 44 2HA GLY 44 -7.982 9.710 8.240 350 H ASN 45 H ASN 45 -5.443 8.448 8.072 351 HA ASN 45 HA ASN 45 -3.769 10.743 8.736 352 HB2 ASN 45 1HB ASN 45 -4.078 8.691 10.249 353 HB3 ASN 45 2HB ASN 45 -3.033 7.845 9.112 354 HD21 ASN 45 1HD2 ASN 45 -1.020 9.276 8.540 355 HD22 ASN 45 2HD2 ASN 45 -0.175 9.890 9.917 356 H ARG 46 H ARG 46 -3.693 7.843 6.694 357 HA ARG 46 HA ARG 46 -1.178 8.537 5.497 358 HB2 ARG 46 1HB ARG 46 -3.248 6.423 4.967 359 HB3 ARG 46 2HB ARG 46 -1.908 6.674 3.856 360 HG2 ARG 46 1HG ARG 46 -1.580 6.092 6.789 361 HG3 ARG 46 2HG ARG 46 -1.538 4.868 5.519 362 HD2 ARG 46 1HD ARG 46 0.334 6.129 4.462 363 HD3 ARG 46 2HD ARG 46 0.339 7.202 5.862 364 HE ARG 46 HE ARG 46 1.341 4.497 5.734 365 HH11 ARG 46 1HH1 ARG 46 0.270 7.101 7.781 366 HH12 ARG 46 2HH1 ARG 46 1.118 6.526 9.178 367 HH21 ARG 46 1HH2 ARG 46 2.462 3.729 7.567 368 HH22 ARG 46 2HH2 ARG 46 2.366 4.608 9.055 369 H THR 47 H THR 47 -1.001 8.698 3.069 370 HA THR 47 HA THR 47 -3.222 10.267 1.941 371 HB THR 47 HB THR 47 -1.685 11.828 0.930 372 HG1 THR 47 1HG THR 47 0.213 9.982 1.834 373 HG21 THR 47 3HG2 THR 47 -2.418 12.151 3.328 374 HG22 THR 47 1HG2 THR 47 -0.957 13.018 2.855 375 HG23 THR 47 2HG2 THR 47 -0.835 11.538 3.807 376 H ALA 48 H ALA 48 -3.117 10.444 -0.451 377 HA ALA 48 HA ALA 48 -3.252 8.105 -1.774 378 HB1 ALA 48 3HB ALA 48 -3.949 9.802 -3.111 379 HB2 ALA 48 1HB ALA 48 -2.615 10.861 -2.652 380 HB3 ALA 48 2HB ALA 48 -2.349 9.560 -3.812 381 H LYS 49 H LYS 49 -0.296 10.086 -1.584 382 HA LYS 49 HA LYS 49 1.365 8.332 -3.007 383 HB2 LYS 49 1HB LYS 49 1.788 10.591 -1.117 384 HB3 LYS 49 2HB LYS 49 3.156 9.531 -1.429 385 HG2 LYS 49 1HG LYS 49 1.595 10.730 -3.684 386 HG3 LYS 49 2HG LYS 49 2.871 11.637 -2.869 387 HD2 LYS 49 1HD LYS 49 3.224 8.920 -4.133 388 HD3 LYS 49 2HD LYS 49 3.660 10.451 -4.896 389 HE2 LYS 49 1HE LYS 49 5.023 10.805 -2.685 390 HE3 LYS 49 2HE LYS 49 4.921 9.048 -2.583 391 HZ1 LYS 49 3HZ LYS 49 6.595 8.931 -4.005 392 HZ2 LYS 49 1HZ LYS 49 6.637 10.614 -4.166 393 HZ3 LYS 49 2HZ LYS 49 5.656 9.692 -5.189 394 H GLN 50 H GLN 50 1.595 8.917 0.500 395 HA GLN 50 HA GLN 50 3.129 6.855 1.280 396 HB2 GLN 50 1HB GLN 50 0.609 7.762 2.683 397 HB3 GLN 50 2HB GLN 50 1.897 6.823 3.426 398 HG2 GLN 50 1HG GLN 50 3.460 8.680 2.980 399 HG3 GLN 50 2HG GLN 50 2.114 9.622 2.343 400 HE21 GLN 50 1HE2 GLN 50 1.721 11.162 3.770 401 HE22 GLN 50 2HE2 GLN 50 1.517 10.937 5.471 402 H VAL 51 H VAL 51 -0.151 6.616 0.138 403 HA VAL 51 HA VAL 51 -0.524 3.891 0.981 404 HB VAL 51 HB VAL 51 -2.103 5.567 -0.975 405 HG11 VAL 51 1HG1 VAL 51 -2.131 2.845 -0.810 406 HG12 VAL 51 2HG1 VAL 51 -3.413 3.290 0.318 407 HG13 VAL 51 3HG1 VAL 51 -3.480 3.840 -1.357 408 HG21 VAL 51 3HG2 VAL 51 -1.896 5.863 1.745 409 HG22 VAL 51 1HG2 VAL 51 -3.250 6.405 0.753 410 HG23 VAL 51 2HG2 VAL 51 -3.326 4.846 1.575 411 H ALA 52 H ALA 52 0.259 5.540 -2.052 412 HA ALA 52 HA ALA 52 0.209 3.289 -3.728 413 HB1 ALA 52 3HB ALA 52 0.217 5.547 -4.613 414 HB2 ALA 52 1HB ALA 52 1.840 5.813 -3.976 415 HB3 ALA 52 2HB ALA 52 1.579 4.634 -5.262 416 H SER 53 H SER 53 2.932 4.831 -2.029 417 HA SER 53 HA SER 53 4.973 3.176 -2.896 418 HB2 SER 53 1HB SER 53 5.131 5.278 -1.444 419 HB3 SER 53 2HB SER 53 4.808 4.221 -0.070 420 HG SER 53 HG SER 53 6.974 4.232 -0.216 421 H GLN 54 H GLN 54 2.641 2.673 -0.302 422 HA GLN 54 HA GLN 54 3.825 0.351 0.785 423 HB2 GLN 54 1HB GLN 54 1.883 1.915 1.656 424 HB3 GLN 54 2HB GLN 54 0.863 0.734 0.845 425 HG2 GLN 54 1HG GLN 54 1.058 0.141 3.152 426 HG3 GLN 54 2HG GLN 54 1.928 -1.047 2.183 427 HE21 GLN 54 1HE2 GLN 54 2.732 -1.312 4.524 428 HE22 GLN 54 2HE2 GLN 54 4.185 -0.462 4.909 429 H VAL 55 H VAL 55 1.119 0.741 -1.500 430 HA VAL 55 HA VAL 55 0.543 -1.922 -1.955 431 HB VAL 55 HB VAL 55 0.467 0.323 -3.976 432 HG11 VAL 55 1HG1 VAL 55 0.309 -2.209 -4.681 433 HG12 VAL 55 2HG1 VAL 55 -1.343 -2.038 -4.082 434 HG13 VAL 55 3HG1 VAL 55 -0.763 -0.998 -5.384 435 HG21 VAL 55 3HG2 VAL 55 -1.357 -0.539 -1.787 436 HG22 VAL 55 1HG2 VAL 55 -0.953 1.083 -2.350 437 HG23 VAL 55 2HG2 VAL 55 -2.065 0.079 -3.280 438 H GLN 56 H GLN 56 3.111 0.057 -3.319 439 HA GLN 56 HA GLN 56 3.951 -1.586 -5.393 440 HB2 GLN 56 1HB GLN 56 5.568 0.205 -3.575 441 HB3 GLN 56 2HB GLN 56 6.202 -0.538 -5.037 442 HG2 GLN 56 1HG GLN 56 3.832 1.312 -4.981 443 HG3 GLN 56 2HG GLN 56 5.487 1.828 -5.300 444 HE21 GLN 56 1HE2 GLN 56 6.094 1.892 -7.339 445 HE22 GLN 56 2HE2 GLN 56 5.341 1.058 -8.651 446 H LYS 57 H LYS 57 5.032 -1.578 -2.003 447 HA LYS 57 HA LYS 57 6.622 -3.956 -2.400 448 HB2 LYS 57 1HB LYS 57 5.983 -2.265 0.012 449 HB3 LYS 57 2HB LYS 57 6.906 -3.757 0.130 450 HG2 LYS 57 1HG LYS 57 8.713 -2.884 -1.025 451 HG3 LYS 57 2HG LYS 57 7.747 -1.608 -1.770 452 HD2 LYS 57 1HD LYS 57 7.427 -0.883 0.758 453 HD3 LYS 57 2HD LYS 57 8.954 -1.749 0.945 454 HE2 LYS 57 1HE LYS 57 9.507 0.518 0.532 455 HE3 LYS 57 2HE LYS 57 9.843 -0.360 -0.959 456 HZ1 LYS 57 3HZ LYS 57 7.728 0.408 -1.843 457 HZ2 LYS 57 1HZ LYS 57 8.702 1.718 -1.401 458 HZ3 LYS 57 2HZ LYS 57 7.410 1.254 -0.413 459 H TYR 58 H TYR 58 3.567 -3.847 -2.641 460 HA TYR 58 HA TYR 58 2.980 -6.040 -0.763 461 HB2 TYR 58 1HB TYR 58 1.344 -3.773 -1.779 462 HB3 TYR 58 2HB TYR 58 0.522 -5.308 -1.520 463 HD1 TYR 58 1HD TYR 58 3.352 -4.052 0.501 464 HD2 TYR 58 2HD TYR 58 -0.853 -4.673 0.308 465 HE1 TYR 58 1HE TYR 58 3.173 -3.546 2.901 466 HE2 TYR 58 2HE TYR 58 -1.043 -4.168 2.708 467 HH TYR 58 HH TYR 58 1.440 -2.742 4.489 468 H PHE 59 H PHE 59 2.625 -4.897 -4.081 469 HA PHE 59 HA PHE 59 1.723 -7.569 -4.896 470 HB2 PHE 59 1HB PHE 59 1.664 -4.922 -6.357 471 HB3 PHE 59 2HB PHE 59 1.159 -6.453 -7.063 472 HD1 PHE 59 2HD PHE 59 0.541 -4.637 -3.858 473 HD2 PHE 59 1HD PHE 59 -1.107 -6.710 -7.190 474 HE1 PHE 59 2HE PHE 59 -1.719 -4.309 -2.940 475 HE2 PHE 59 1HE PHE 59 -3.369 -6.385 -6.278 476 HZ PHE 59 HZ PHE 59 -3.677 -5.184 -4.150 477 H ILE 60 H ILE 60 4.128 -5.080 -5.653 478 HA ILE 60 HA ILE 60 5.476 -6.584 -7.644 479 HB ILE 60 HB ILE 60 6.603 -4.360 -5.940 480 HG12 ILE 60 1HG1 ILE 60 5.280 -4.159 -8.651 481 HG13 ILE 60 2HG1 ILE 60 4.471 -3.783 -7.134 482 HG21 ILE 60 1HG2 ILE 60 8.233 -4.067 -7.642 483 HG22 ILE 60 2HG2 ILE 60 8.210 -5.784 -7.245 484 HG23 ILE 60 3HG2 ILE 60 7.417 -5.208 -8.710 485 HD11 ILE 60 3HD1 ILE 60 5.884 -2.033 -8.727 486 HD12 ILE 60 1HD1 ILE 60 5.373 -1.759 -7.061 487 HD13 ILE 60 2HD1 ILE 60 6.989 -2.382 -7.398 488 H LYS 61 H LYS 61 6.302 -5.898 -4.244 489 HA LYS 61 HA LYS 61 8.628 -7.234 -3.927 490 HB2 LYS 61 1HB LYS 61 7.271 -6.058 -2.145 491 HB3 LYS 61 2HB LYS 61 6.343 -7.543 -1.978 492 HG2 LYS 61 1HG LYS 61 8.144 -8.717 -1.093 493 HG3 LYS 61 2HG LYS 61 9.324 -7.557 -1.707 494 HD2 LYS 61 1HD LYS 61 8.746 -5.953 -0.076 495 HD3 LYS 61 2HD LYS 61 7.268 -6.815 0.359 496 HE2 LYS 61 1HE LYS 61 8.406 -8.427 1.561 497 HE3 LYS 61 2HE LYS 61 9.915 -8.158 0.690 498 HZ1 LYS 61 3HZ LYS 61 10.558 -6.781 2.279 499 HZ2 LYS 61 1HZ LYS 61 9.127 -7.071 3.134 500 HZ3 LYS 61 2HZ LYS 61 9.207 -5.795 2.028 501 H LEU 62 H LEU 62 5.453 -8.681 -4.311 502 HA LEU 62 HA LEU 62 5.684 -11.235 -3.535 503 HB2 LEU 62 1HB LEU 62 4.579 -10.118 -6.086 504 HB3 LEU 62 2HB LEU 62 4.508 -11.846 -5.748 505 HG LEU 62 HG LEU 62 3.330 -9.770 -3.912 506 HD11 LEU 62 1HD1 LEU 62 2.437 -10.011 -6.403 507 HD12 LEU 62 2HD1 LEU 62 1.355 -9.776 -5.031 508 HD13 LEU 62 3HD1 LEU 62 1.603 -11.392 -5.691 509 HD21 LEU 62 3HD2 LEU 62 2.632 -12.680 -4.200 510 HD22 LEU 62 1HD2 LEU 62 2.211 -11.574 -2.892 511 HD23 LEU 62 2HD2 LEU 62 3.880 -12.107 -3.093 512 H THR 63 H THR 63 7.029 -10.003 -6.591 513 HA THR 63 HA THR 63 8.117 -12.266 -7.655 514 HB THR 63 HB THR 63 8.239 -9.997 -8.685 515 HG1 THR 63 1HG THR 63 9.513 -11.295 -9.818 516 HG21 THR 63 3HG2 THR 63 10.622 -8.942 -7.986 517 HG22 THR 63 1HG2 THR 63 10.106 -9.595 -6.432 518 HG23 THR 63 2HG2 THR 63 9.087 -8.433 -7.282 519 H LYS 64 H LYS 64 10.319 -13.107 -7.664 520 HA LYS 64 HA LYS 64 11.523 -12.995 -4.979 521 HB2 LYS 64 1HB LYS 64 10.568 -15.196 -5.750 522 HB3 LYS 64 2HB LYS 64 11.800 -15.217 -7.005 523 HG2 LYS 64 1HG LYS 64 12.772 -16.510 -5.380 524 HG3 LYS 64 2HG LYS 64 13.448 -14.921 -5.013 525 HD2 LYS 64 1HD LYS 64 12.775 -15.618 -2.923 526 HD3 LYS 64 2HD LYS 64 11.355 -14.717 -3.457 527 HE2 LYS 64 1HE LYS 64 10.148 -16.666 -3.913 528 HE3 LYS 64 2HE LYS 64 11.599 -17.666 -3.944 529 HZ1 LYS 64 3HZ LYS 64 9.959 -17.560 -1.869 530 HZ2 LYS 64 1HZ LYS 64 11.017 -16.313 -1.435 531 HZ3 LYS 64 2HZ LYS 64 11.615 -17.871 -1.713 532 H ALA 65 H ALA 65 12.255 -13.155 -8.439 533 HA ALA 65 HA ALA 65 15.061 -12.958 -8.186 534 HB1 ALA 65 3HB ALA 65 13.654 -13.653 -10.224 535 HB2 ALA 65 1HB ALA 65 13.553 -11.925 -10.561 536 HB3 ALA 65 2HB ALA 65 15.126 -12.722 -10.501 537 H GLY 66 H GLY 66 12.540 -10.510 -8.717 538 HA2 GLY 66 1HA GLY 66 14.452 -8.348 -8.730 539 HA3 GLY 66 2HA GLY 66 12.701 -8.197 -8.782 540 H ILE 67 H ILE 67 14.951 -9.633 -6.422 541 HA ILE 67 HA ILE 67 13.795 -7.838 -4.390 542 HB ILE 67 HB ILE 67 14.625 -10.717 -4.005 543 HG12 ILE 67 1HG1 ILE 67 12.462 -10.443 -5.159 544 HG13 ILE 67 2HG1 ILE 67 12.258 -11.119 -3.546 545 HG21 ILE 67 1HG2 ILE 67 15.014 -8.970 -2.123 546 HG22 ILE 67 2HG2 ILE 67 13.263 -9.047 -1.935 547 HG23 ILE 67 3HG2 ILE 67 14.236 -10.505 -1.737 548 HD11 ILE 67 3HD1 ILE 67 11.033 -8.840 -4.669 549 HD12 ILE 67 1HD1 ILE 67 10.839 -9.505 -3.047 550 HD13 ILE 67 2HD1 ILE 67 12.081 -8.292 -3.361 551 HA PRO 68 HA PRO 68 17.958 -6.571 -3.660 552 HB2 PRO 68 1HB PRO 68 17.591 -5.426 -1.226 553 HB3 PRO 68 2HB PRO 68 17.049 -4.676 -2.732 554 HG2 PRO 68 1HG PRO 68 15.479 -6.251 -0.728 555 HG3 PRO 68 2HG PRO 68 15.036 -4.755 -1.571 556 HD2 PRO 68 1HD PRO 68 14.126 -7.186 -2.342 557 HD3 PRO 68 2HD PRO 68 14.429 -5.870 -3.495 558 H VAL 69 H VAL 69 19.769 -7.105 -2.408 559 HA VAL 69 HA VAL 69 19.357 -9.263 -0.441 560 HB VAL 69 HB VAL 69 20.279 -10.180 -2.517 561 HG11 VAL 69 1HG1 VAL 69 21.392 -8.097 -3.271 562 HG12 VAL 69 2HG1 VAL 69 22.641 -8.364 -2.052 563 HG13 VAL 69 3HG1 VAL 69 22.430 -9.519 -3.369 564 HG21 VAL 69 3HG2 VAL 69 22.157 -11.353 -1.558 565 HG22 VAL 69 1HG2 VAL 69 22.363 -10.095 -0.339 566 HG23 VAL 69 2HG2 VAL 69 20.927 -11.118 -0.316 567 H SER 70 H SER 70 20.359 -9.047 1.472 568 HA SER 70 HA SER 70 22.527 -7.092 1.735 569 HB2 SER 70 1HB SER 70 20.198 -6.155 2.375 570 HB3 SER 70 2HB SER 70 20.333 -7.196 3.792 571 HG SER 70 HG SER 70 22.516 -5.578 3.192 572 H GLY 71 H GLY 71 23.561 -7.256 3.960 573 HA2 GLY 71 1HA GLY 71 23.582 -10.089 4.807 574 HA3 GLY 71 2HA GLY 71 25.040 -9.114 4.690 575 HA PRO 72 HA PRO 72 22.440 -7.631 8.530 576 HB2 PRO 72 1HB PRO 72 20.751 -9.512 9.520 577 HB3 PRO 72 2HB PRO 72 20.252 -8.303 8.331 578 HG2 PRO 72 1HG PRO 72 21.031 -11.163 7.912 579 HG3 PRO 72 2HG PRO 72 19.694 -10.251 7.188 580 HD2 PRO 72 1HD PRO 72 22.015 -10.724 5.875 581 HD3 PRO 72 2HD PRO 72 21.059 -9.249 5.624 582 H SER 73 H SER 73 24.604 -7.955 9.284 583 HA SER 73 HA SER 73 25.883 -10.194 10.094 584 HB2 SER 73 1HB SER 73 26.975 -8.074 10.323 585 HB3 SER 73 2HB SER 73 25.773 -7.512 11.485 586 HG SER 73 HG SER 73 27.135 -9.841 12.139 587 H SER 74 H SER 74 23.646 -8.345 12.164 588 HA SER 74 HA SER 74 22.831 -10.818 13.465 589 HB2 SER 74 1HB SER 74 23.206 -9.901 15.729 590 HB3 SER 74 2HB SER 74 24.717 -10.079 14.838 591 HG SER 74 HG SER 74 24.897 -8.070 15.556 592 H GLY 75 H GLY 75 20.785 -10.734 14.369 593 HA2 GLY 75 1HA GLY 75 19.386 -8.171 14.440 594 HA3 GLY 75 2HA GLY 75 18.769 -9.378 13.321 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -1.588 -3.408 26.334 2 HA2 GLY 1 1HA GLY 1 0.564 -3.608 27.108 3 HA3 GLY 1 2HA GLY 1 0.072 -5.200 27.666 4 H SER 2 H SER 2 1.892 -3.432 25.372 5 HA SER 2 HA SER 2 3.383 -4.047 23.768 6 HB2 SER 2 1HB SER 2 3.151 -6.729 25.153 7 HB3 SER 2 2HB SER 2 4.362 -6.336 23.932 8 HG SER 2 HG SER 2 4.419 -5.831 26.548 9 H SER 3 H SER 3 0.719 -3.965 23.002 10 HA SER 3 HA SER 3 0.209 -6.335 21.388 11 HB2 SER 3 1HB SER 3 -1.560 -4.948 22.707 12 HB3 SER 3 2HB SER 3 -1.480 -3.849 21.331 13 HG SER 3 HG SER 3 -2.474 -5.276 20.121 14 H GLY 4 H GLY 4 2.531 -5.008 20.640 15 HA2 GLY 4 1HA GLY 4 3.256 -4.831 18.340 16 HA3 GLY 4 2HA GLY 4 1.744 -4.013 17.979 17 H SER 5 H SER 5 1.521 -1.825 18.423 18 HA SER 5 HA SER 5 2.370 0.310 18.293 19 HB2 SER 5 1HB SER 5 3.113 1.114 20.420 20 HB3 SER 5 2HB SER 5 1.958 -0.179 20.744 21 HG SER 5 HG SER 5 4.697 -0.085 21.183 22 H SER 6 H SER 6 3.945 -1.395 16.767 23 HA SER 6 HA SER 6 6.689 -0.496 17.340 24 HB2 SER 6 1HB SER 6 7.449 -2.339 15.922 25 HB3 SER 6 2HB SER 6 6.390 -2.948 17.194 26 HG SER 6 HG SER 6 4.714 -3.050 15.681 27 H GLY 7 H GLY 7 7.875 0.579 15.795 28 HA2 GLY 7 1HA GLY 7 8.260 1.928 13.978 29 HA3 GLY 7 2HA GLY 7 7.176 0.867 13.090 30 H ASN 8 H ASN 8 7.417 3.792 14.994 31 HA ASN 8 HA ASN 8 4.701 4.509 15.009 32 HB2 ASN 8 1HB ASN 8 6.556 5.555 16.374 33 HB3 ASN 8 2HB ASN 8 7.027 6.435 14.923 34 HD21 ASN 8 1HD2 ASN 8 6.084 7.447 17.477 35 HD22 ASN 8 2HD2 ASN 8 4.673 8.385 17.133 36 H GLN 9 H GLN 9 7.311 5.681 12.874 37 HA GLN 9 HA GLN 9 5.469 6.950 11.089 38 HB2 GLN 9 1HB GLN 9 8.428 6.437 11.046 39 HB3 GLN 9 2HB GLN 9 7.608 7.067 9.624 40 HG2 GLN 9 1HG GLN 9 8.313 8.994 10.635 41 HG3 GLN 9 2HG GLN 9 6.679 8.843 11.279 42 HE21 GLN 9 1HE2 GLN 9 8.061 10.411 12.736 43 HE22 GLN 9 2HE2 GLN 9 8.694 9.668 14.162 44 H LEU 10 H LEU 10 6.199 3.772 11.580 45 HA LEU 10 HA LEU 10 5.995 2.997 8.768 46 HB2 LEU 10 1HB LEU 10 6.503 1.393 11.267 47 HB3 LEU 10 2HB LEU 10 6.362 0.695 9.655 48 HG LEU 10 HG LEU 10 8.318 2.411 9.144 49 HD11 LEU 10 1HD1 LEU 10 8.190 3.286 11.505 50 HD12 LEU 10 2HD1 LEU 10 9.788 2.779 10.957 51 HD13 LEU 10 3HD1 LEU 10 8.850 1.735 12.025 52 HD21 LEU 10 3HD2 LEU 10 8.410 -0.331 10.340 53 HD22 LEU 10 1HD2 LEU 10 9.901 0.518 9.928 54 HD23 LEU 10 2HD2 LEU 10 8.706 0.175 8.676 55 H TRP 11 H TRP 11 4.545 1.050 8.340 56 HA TRP 11 HA TRP 11 1.872 1.770 9.052 57 HB2 TRP 11 1HB TRP 11 3.062 -0.456 7.409 58 HB3 TRP 11 2HB TRP 11 1.334 -0.374 7.740 59 HD1 TRP 11 HD TRP 11 4.085 1.840 6.132 60 HE1 TRP 11 1HE TRP 11 2.992 3.217 4.252 61 HE3 TRP 11 3HE TRP 11 -0.769 0.363 6.761 62 HZ2 TRP 11 2HZ TRP 11 0.413 3.623 3.178 63 HZ3 TRP 11 3HZ TRP 11 -2.488 1.293 5.267 64 HH2 TRP 11 HH TRP 11 -1.907 2.890 3.513 65 H THR 12 H THR 12 0.684 1.060 10.695 66 HA THR 12 HA THR 12 1.753 -1.064 12.389 67 HB THR 12 HB THR 12 1.048 1.075 13.432 68 HG1 THR 12 1HG THR 12 -0.544 -0.122 14.930 69 HG21 THR 12 3HG2 THR 12 -1.164 1.816 13.472 70 HG22 THR 12 1HG2 THR 12 -1.798 0.256 12.951 71 HG23 THR 12 2HG2 THR 12 -0.947 1.290 11.803 72 H VAL 13 H VAL 13 0.324 -2.724 13.244 73 HA VAL 13 HA VAL 13 -0.885 -4.303 11.383 74 HB VAL 13 HB VAL 13 -0.394 -5.077 13.649 75 HG11 VAL 13 1HG1 VAL 13 -2.901 -3.779 14.643 76 HG12 VAL 13 2HG1 VAL 13 -1.530 -4.410 15.558 77 HG13 VAL 13 3HG1 VAL 13 -1.372 -2.901 14.659 78 HG21 VAL 13 3HG2 VAL 13 -3.295 -5.401 12.887 79 HG22 VAL 13 1HG2 VAL 13 -1.946 -6.370 12.297 80 HG23 VAL 13 2HG2 VAL 13 -2.406 -6.442 13.998 81 H GLU 14 H GLU 14 -2.506 -1.898 13.439 82 HA GLU 14 HA GLU 14 -5.121 -2.309 12.649 83 HB2 GLU 14 1HB GLU 14 -3.821 0.353 13.253 84 HB3 GLU 14 2HB GLU 14 -5.545 0.010 13.303 85 HG2 GLU 14 1HG GLU 14 -3.507 -1.352 15.046 86 HG3 GLU 14 2HG GLU 14 -4.431 0.071 15.525 87 H GLU 15 H GLU 15 -2.700 -0.173 11.159 88 HA GLU 15 HA GLU 15 -4.407 0.723 9.076 89 HB2 GLU 15 1HB GLU 15 -1.425 0.769 9.477 90 HB3 GLU 15 2HB GLU 15 -2.160 1.358 7.992 91 HG2 GLU 15 1HG GLU 15 -3.405 3.019 9.213 92 HG3 GLU 15 2HG GLU 15 -2.812 2.382 10.745 93 H GLN 16 H GLN 16 -1.682 -1.579 9.048 94 HA GLN 16 HA GLN 16 -1.607 -2.434 6.512 95 HB2 GLN 16 1HB GLN 16 -1.642 -4.229 8.944 96 HB3 GLN 16 2HB GLN 16 -1.084 -4.715 7.349 97 HG2 GLN 16 1HG GLN 16 0.804 -3.380 7.458 98 HG3 GLN 16 2HG GLN 16 0.124 -2.351 8.718 99 HE21 GLN 16 1HE2 GLN 16 1.881 -2.597 10.070 100 HE22 GLN 16 2HE2 GLN 16 2.219 -4.074 10.900 101 H LYS 17 H LYS 17 -3.796 -3.983 8.869 102 HA LYS 17 HA LYS 17 -5.239 -5.505 7.047 103 HB2 LYS 17 1HB LYS 17 -6.997 -5.603 8.774 104 HB3 LYS 17 2HB LYS 17 -5.394 -5.870 9.446 105 HG2 LYS 17 1HG LYS 17 -5.347 -3.533 10.210 106 HG3 LYS 17 2HG LYS 17 -6.983 -3.316 9.584 107 HD2 LYS 17 1HD LYS 17 -7.393 -3.778 11.808 108 HD3 LYS 17 2HD LYS 17 -7.528 -5.382 11.083 109 HE2 LYS 17 1HE LYS 17 -5.483 -6.073 11.926 110 HE3 LYS 17 2HE LYS 17 -4.895 -4.424 12.130 111 HZ1 LYS 17 3HZ LYS 17 -5.815 -5.941 14.125 112 HZ2 LYS 17 1HZ LYS 17 -7.227 -5.107 13.706 113 HZ3 LYS 17 2HZ LYS 17 -5.837 -4.249 14.144 114 H LYS 18 H LYS 18 -5.997 -2.274 8.332 115 HA LYS 18 HA LYS 18 -8.397 -1.810 7.067 116 HB2 LYS 18 1HB LYS 18 -7.518 -0.245 8.677 117 HB3 LYS 18 2HB LYS 18 -6.142 0.117 7.642 118 HG2 LYS 18 1HG LYS 18 -7.367 1.443 6.238 119 HG3 LYS 18 2HG LYS 18 -8.882 0.610 6.593 120 HD2 LYS 18 1HD LYS 18 -8.640 1.596 8.951 121 HD3 LYS 18 2HD LYS 18 -7.438 2.671 8.232 122 HE2 LYS 18 1HE LYS 18 -9.438 3.880 8.127 123 HE3 LYS 18 2HE LYS 18 -9.236 3.227 6.502 124 HZ1 LYS 18 3HZ LYS 18 -11.509 2.981 7.325 125 HZ2 LYS 18 1HZ LYS 18 -10.952 2.039 8.615 126 HZ3 LYS 18 2HZ LYS 18 -10.793 1.478 7.027 127 H LEU 19 H LEU 19 -5.205 -0.808 5.821 128 HA LEU 19 HA LEU 19 -6.040 0.069 3.329 129 HB2 LEU 19 1HB LEU 19 -3.844 0.577 3.983 130 HB3 LEU 19 2HB LEU 19 -3.456 -1.115 4.290 131 HG LEU 19 HG LEU 19 -3.579 -1.514 1.828 132 HD11 LEU 19 1HD1 LEU 19 -5.008 0.441 1.314 133 HD12 LEU 19 2HD1 LEU 19 -3.559 0.352 0.313 134 HD13 LEU 19 3HD1 LEU 19 -3.635 1.494 1.655 135 HD21 LEU 19 3HD2 LEU 19 -1.577 0.106 3.246 136 HD22 LEU 19 1HD2 LEU 19 -1.479 0.158 1.485 137 HD23 LEU 19 2HD2 LEU 19 -1.389 -1.389 2.328 138 H GLU 20 H GLU 20 -4.408 -3.054 3.897 139 HA GLU 20 HA GLU 20 -4.702 -4.305 1.557 140 HB2 GLU 20 1HB GLU 20 -5.174 -5.413 4.317 141 HB3 GLU 20 2HB GLU 20 -5.195 -6.440 2.891 142 HG2 GLU 20 1HG GLU 20 -2.904 -5.779 2.374 143 HG3 GLU 20 2HG GLU 20 -2.881 -4.744 3.800 144 H GLN 21 H GLN 21 -7.313 -3.828 3.887 145 HA GLN 21 HA GLN 21 -9.257 -5.308 2.433 146 HB2 GLN 21 1HB GLN 21 -9.319 -3.390 4.723 147 HB3 GLN 21 2HB GLN 21 -10.827 -3.781 3.907 148 HG2 GLN 21 1HG GLN 21 -9.002 -5.937 4.897 149 HG3 GLN 21 2HG GLN 21 -10.152 -5.143 5.972 150 HE21 GLN 21 1HE2 GLN 21 -10.440 -7.758 5.688 151 HE22 GLN 21 2HE2 GLN 21 -11.800 -8.146 4.695 152 H LEU 22 H LEU 22 -8.700 -1.808 2.805 153 HA LEU 22 HA LEU 22 -10.712 -0.938 1.082 154 HB2 LEU 22 1HB LEU 22 -8.101 0.242 1.954 155 HB3 LEU 22 2HB LEU 22 -9.115 1.073 0.776 156 HG LEU 22 HG LEU 22 -10.163 0.265 3.474 157 HD11 LEU 22 1HD1 LEU 22 -9.711 2.682 4.087 158 HD12 LEU 22 2HD1 LEU 22 -8.601 2.718 2.717 159 HD13 LEU 22 3HD1 LEU 22 -8.315 1.603 4.053 160 HD21 LEU 22 3HD2 LEU 22 -12.037 1.241 2.789 161 HD22 LEU 22 1HD2 LEU 22 -11.323 1.369 1.181 162 HD23 LEU 22 2HD2 LEU 22 -11.167 2.704 2.323 163 H LEU 23 H LEU 23 -7.268 -1.522 0.389 164 HA LEU 23 HA LEU 23 -7.061 -0.821 -2.213 165 HB2 LEU 23 1HB LEU 23 -5.941 -3.153 -0.714 166 HB3 LEU 23 2HB LEU 23 -5.605 -2.965 -2.434 167 HG LEU 23 HG LEU 23 -5.014 -0.750 -0.502 168 HD11 LEU 23 1HD1 LEU 23 -3.968 -2.934 0.244 169 HD12 LEU 23 2HD1 LEU 23 -2.862 -1.595 -0.060 170 HD13 LEU 23 3HD1 LEU 23 -3.035 -2.882 -1.252 171 HD21 LEU 23 3HD2 LEU 23 -3.090 -0.816 -2.444 172 HD22 LEU 23 1HD2 LEU 23 -4.538 0.191 -2.475 173 HD23 LEU 23 2HD2 LEU 23 -4.524 -1.358 -3.318 174 H ILE 24 H ILE 24 -8.466 -3.850 -1.017 175 HA ILE 24 HA ILE 24 -9.117 -4.790 -3.653 176 HB ILE 24 HB ILE 24 -10.071 -5.776 -0.962 177 HG12 ILE 24 1HG1 ILE 24 -8.011 -7.090 -2.714 178 HG13 ILE 24 2HG1 ILE 24 -7.552 -5.834 -1.570 179 HG21 ILE 24 1HG2 ILE 24 -10.568 -6.661 -3.745 180 HG22 ILE 24 2HG2 ILE 24 -10.299 -7.912 -2.532 181 HG23 ILE 24 3HG2 ILE 24 -11.608 -6.749 -2.324 182 HD11 ILE 24 3HD1 ILE 24 -7.380 -8.302 -0.865 183 HD12 ILE 24 1HD1 ILE 24 -8.073 -7.138 0.264 184 HD13 ILE 24 2HD1 ILE 24 -9.129 -8.202 -0.666 185 H LYS 25 H LYS 25 -10.860 -3.252 -0.995 186 HA LYS 25 HA LYS 25 -13.464 -3.497 -1.908 187 HB2 LYS 25 1HB LYS 25 -13.062 -2.609 0.274 188 HB3 LYS 25 2HB LYS 25 -12.119 -1.273 -0.374 189 HG2 LYS 25 1HG LYS 25 -14.942 -1.519 -1.247 190 HG3 LYS 25 2HG LYS 25 -14.628 -0.980 0.404 191 HD2 LYS 25 1HD LYS 25 -13.258 0.839 -0.412 192 HD3 LYS 25 2HD LYS 25 -13.429 0.263 -2.072 193 HE2 LYS 25 1HE LYS 25 -14.919 2.144 -1.637 194 HE3 LYS 25 2HE LYS 25 -15.835 0.675 -1.969 195 HZ1 LYS 25 3HZ LYS 25 -15.259 1.129 0.825 196 HZ2 LYS 25 1HZ LYS 25 -16.703 0.660 0.079 197 HZ3 LYS 25 2HZ LYS 25 -16.266 2.293 0.125 198 H TYR 26 H TYR 26 -11.052 -1.024 -2.710 199 HA TYR 26 HA TYR 26 -12.871 0.189 -4.635 200 HB2 TYR 26 1HB TYR 26 -10.170 0.941 -3.547 201 HB3 TYR 26 2HB TYR 26 -10.821 1.730 -4.979 202 HD1 TYR 26 1HD TYR 26 -12.846 3.126 -4.814 203 HD2 TYR 26 2HD TYR 26 -11.045 1.409 -1.362 204 HE1 TYR 26 1HE TYR 26 -14.117 4.675 -3.388 205 HE2 TYR 26 2HE TYR 26 -12.312 2.953 0.073 206 HH TYR 26 HH TYR 26 -14.312 4.305 0.009 207 HA PRO 27 HA PRO 27 -11.189 -2.390 -7.858 208 HB2 PRO 27 1HB PRO 27 -12.660 -1.306 -9.866 209 HB3 PRO 27 2HB PRO 27 -13.325 -2.459 -8.703 210 HG2 PRO 27 1HG PRO 27 -13.544 0.526 -8.747 211 HG3 PRO 27 2HG PRO 27 -14.794 -0.682 -8.397 212 HD2 PRO 27 1HD PRO 27 -13.503 0.686 -6.449 213 HD3 PRO 27 2HD PRO 27 -14.075 -0.981 -6.227 214 HA PRO 28 HA PRO 28 -8.053 0.101 -9.691 215 HB2 PRO 28 1HB PRO 28 -7.554 -1.330 -11.943 216 HB3 PRO 28 2HB PRO 28 -7.055 -1.866 -10.334 217 HG2 PRO 28 1HG PRO 28 -9.432 -2.695 -11.954 218 HG3 PRO 28 2HG PRO 28 -8.327 -3.697 -10.995 219 HD2 PRO 28 1HD PRO 28 -10.767 -2.944 -10.093 220 HD3 PRO 28 2HD PRO 28 -9.379 -3.178 -9.011 221 H GLU 29 H GLU 29 -7.466 1.182 -11.799 222 HA GLU 29 HA GLU 29 -9.525 1.587 -13.747 223 HB2 GLU 29 1HB GLU 29 -9.689 4.078 -13.276 224 HB3 GLU 29 2HB GLU 29 -10.537 3.017 -12.160 225 HG2 GLU 29 1HG GLU 29 -8.280 3.195 -10.814 226 HG3 GLU 29 2HG GLU 29 -8.130 4.696 -11.726 227 H GLU 30 H GLU 30 -8.872 3.512 -15.223 228 HA GLU 30 HA GLU 30 -6.441 2.975 -16.397 229 HB2 GLU 30 1HB GLU 30 -8.289 4.257 -17.449 230 HB3 GLU 30 2HB GLU 30 -7.876 5.635 -16.438 231 HG2 GLU 30 1HG GLU 30 -5.765 4.435 -18.155 232 HG3 GLU 30 2HG GLU 30 -7.003 5.445 -18.900 233 H VAL 31 H VAL 31 -7.199 5.565 -14.087 234 HA VAL 31 HA VAL 31 -4.321 6.089 -13.797 235 HB VAL 31 HB VAL 31 -6.707 7.759 -12.998 236 HG11 VAL 31 1HG1 VAL 31 -5.424 8.915 -11.602 237 HG12 VAL 31 2HG1 VAL 31 -4.150 7.716 -11.831 238 HG13 VAL 31 3HG1 VAL 31 -4.207 9.152 -12.855 239 HG21 VAL 31 3HG2 VAL 31 -5.655 7.512 -15.458 240 HG22 VAL 31 1HG2 VAL 31 -6.359 9.011 -14.850 241 HG23 VAL 31 2HG2 VAL 31 -4.612 8.779 -14.813 242 H GLU 32 H GLU 32 -3.384 5.031 -12.183 243 HA GLU 32 HA GLU 32 -4.845 3.916 -10.000 244 HB2 GLU 32 1HB GLU 32 -2.644 3.214 -9.162 245 HB3 GLU 32 2HB GLU 32 -2.851 2.814 -10.861 246 HG2 GLU 32 1HG GLU 32 -1.632 5.053 -11.289 247 HG3 GLU 32 2HG GLU 32 -1.116 4.898 -9.611 248 H SER 33 H SER 33 -2.997 6.834 -10.506 249 HA SER 33 HA SER 33 -2.440 7.610 -7.912 250 HB2 SER 33 1HB SER 33 -1.577 8.889 -9.755 251 HB3 SER 33 2HB SER 33 -3.203 9.287 -10.311 252 HG SER 33 HG SER 33 -2.204 10.993 -9.118 253 H ARG 34 H ARG 34 -5.394 8.222 -9.794 254 HA ARG 34 HA ARG 34 -6.746 9.628 -7.748 255 HB2 ARG 34 1HB ARG 34 -8.737 9.341 -9.100 256 HB3 ARG 34 2HB ARG 34 -7.373 9.734 -10.138 257 HG2 ARG 34 1HG ARG 34 -7.334 7.666 -11.108 258 HG3 ARG 34 2HG ARG 34 -8.036 6.871 -9.698 259 HD2 ARG 34 1HD ARG 34 -9.751 6.815 -11.275 260 HD3 ARG 34 2HD ARG 34 -10.160 8.197 -10.259 261 HE ARG 34 HE ARG 34 -9.719 9.612 -12.033 262 HH11 ARG 34 1HH1 ARG 34 -8.768 6.354 -12.811 263 HH12 ARG 34 2HH1 ARG 34 -8.551 6.681 -14.498 264 HH21 ARG 34 1HH2 ARG 34 -9.436 10.055 -14.253 265 HH22 ARG 34 2HH2 ARG 34 -8.930 8.787 -15.317 266 H ARG 35 H ARG 35 -6.326 6.245 -8.429 267 HA ARG 35 HA ARG 35 -8.489 5.273 -6.869 268 HB2 ARG 35 1HB ARG 35 -7.581 3.788 -8.476 269 HB3 ARG 35 2HB ARG 35 -5.944 4.018 -7.876 270 HG2 ARG 35 1HG ARG 35 -6.660 2.905 -5.752 271 HG3 ARG 35 2HG ARG 35 -8.187 2.520 -6.548 272 HD2 ARG 35 1HD ARG 35 -7.100 1.169 -8.169 273 HD3 ARG 35 2HD ARG 35 -5.508 1.747 -7.678 274 HE ARG 35 HE ARG 35 -6.647 0.548 -5.455 275 HH11 ARG 35 1HH1 ARG 35 -5.651 -0.377 -8.660 276 HH12 ARG 35 2HH1 ARG 35 -5.275 -2.009 -8.213 277 HH21 ARG 35 1HH2 ARG 35 -6.156 -1.597 -4.855 278 HH22 ARG 35 2HH2 ARG 35 -5.564 -2.701 -6.049 279 H TRP 36 H TRP 36 -5.053 5.811 -6.188 280 HA TRP 36 HA TRP 36 -5.063 4.768 -3.572 281 HB2 TRP 36 1HB TRP 36 -3.275 6.986 -4.574 282 HB3 TRP 36 2HB TRP 36 -2.931 5.820 -3.300 283 HD1 TRP 36 HD TRP 36 -1.662 6.446 -6.488 284 HE1 TRP 36 1HE TRP 36 -0.969 4.322 -7.766 285 HE3 TRP 36 3HE TRP 36 -4.209 2.973 -3.734 286 HZ2 TRP 36 2HZ TRP 36 -1.440 1.542 -7.626 287 HZ3 TRP 36 3HZ TRP 36 -4.035 0.603 -4.372 288 HH2 TRP 36 HH TRP 36 -2.679 -0.095 -6.279 289 H GLN 37 H GLN 37 -5.801 7.960 -4.853 290 HA GLN 37 HA GLN 37 -5.818 9.422 -2.482 291 HB2 GLN 37 1HB GLN 37 -5.980 10.598 -4.543 292 HB3 GLN 37 2HB GLN 37 -7.422 9.709 -5.018 293 HG2 GLN 37 1HG GLN 37 -7.712 12.112 -4.229 294 HG3 GLN 37 2HG GLN 37 -8.785 10.889 -3.549 295 HE21 GLN 37 1HE2 GLN 37 -5.488 12.006 -2.843 296 HE22 GLN 37 2HE2 GLN 37 -5.757 12.273 -1.158 297 H LYS 38 H LYS 38 -8.466 7.637 -4.043 298 HA LYS 38 HA LYS 38 -10.467 8.240 -2.190 299 HB2 LYS 38 1HB LYS 38 -10.138 5.700 -3.798 300 HB3 LYS 38 2HB LYS 38 -11.628 6.260 -3.049 301 HG2 LYS 38 1HG LYS 38 -11.461 8.309 -4.495 302 HG3 LYS 38 2HG LYS 38 -10.144 7.502 -5.349 303 HD2 LYS 38 1HD LYS 38 -11.904 5.546 -5.515 304 HD3 LYS 38 2HD LYS 38 -13.055 6.867 -5.299 305 HE2 LYS 38 1HE LYS 38 -11.588 7.994 -7.177 306 HE3 LYS 38 2HE LYS 38 -11.177 6.320 -7.547 307 HZ1 LYS 38 3HZ LYS 38 -13.649 7.744 -7.973 308 HZ2 LYS 38 1HZ LYS 38 -13.851 6.206 -7.298 309 HZ3 LYS 38 2HZ LYS 38 -13.032 6.384 -8.767 310 H ILE 39 H ILE 39 -8.192 5.515 -2.283 311 HA ILE 39 HA ILE 39 -9.150 4.191 0.001 312 HB ILE 39 HB ILE 39 -6.410 4.209 -1.258 313 HG12 ILE 39 1HG1 ILE 39 -8.404 1.957 -1.215 314 HG13 ILE 39 2HG1 ILE 39 -8.500 3.231 -2.427 315 HG21 ILE 39 1HG2 ILE 39 -6.095 2.084 0.098 316 HG22 ILE 39 2HG2 ILE 39 -5.989 3.609 0.977 317 HG23 ILE 39 3HG2 ILE 39 -7.455 2.635 1.077 318 HD11 ILE 39 3HD1 ILE 39 -7.320 1.452 -3.413 319 HD12 ILE 39 1HD1 ILE 39 -6.115 2.676 -3.016 320 HD13 ILE 39 2HD1 ILE 39 -6.291 1.247 -1.996 321 H ALA 40 H ALA 40 -6.605 6.631 -0.385 322 HA ALA 40 HA ALA 40 -5.628 6.677 2.212 323 HB1 ALA 40 3HB ALA 40 -5.036 8.032 -0.031 324 HB2 ALA 40 1HB ALA 40 -5.870 9.295 0.875 325 HB3 ALA 40 2HB ALA 40 -4.458 8.497 1.569 326 H ASP 41 H ASP 41 -8.140 8.801 0.826 327 HA ASP 41 HA ASP 41 -8.884 10.350 2.863 328 HB2 ASP 41 1HB ASP 41 -10.060 9.880 0.573 329 HB3 ASP 41 2HB ASP 41 -11.080 8.807 1.528 330 H GLU 42 H GLU 42 -10.243 7.067 2.508 331 HA GLU 42 HA GLU 42 -11.599 6.944 4.911 332 HB2 GLU 42 1HB GLU 42 -10.371 4.890 3.125 333 HB3 GLU 42 2HB GLU 42 -10.962 4.386 4.702 334 HG2 GLU 42 1HG GLU 42 -12.551 5.696 2.510 335 HG3 GLU 42 2HG GLU 42 -12.668 4.025 3.057 336 H LEU 43 H LEU 43 -8.257 5.913 4.253 337 HA LEU 43 HA LEU 43 -7.611 5.034 6.814 338 HB2 LEU 43 1HB LEU 43 -6.016 6.125 4.536 339 HB3 LEU 43 2HB LEU 43 -5.230 5.807 6.081 340 HG LEU 43 HG LEU 43 -6.817 3.640 4.775 341 HD11 LEU 43 1HD1 LEU 43 -4.311 4.826 3.767 342 HD12 LEU 43 2HD1 LEU 43 -5.561 3.914 2.921 343 HD13 LEU 43 3HD1 LEU 43 -4.353 3.067 3.887 344 HD21 LEU 43 3HD2 LEU 43 -4.213 3.409 6.235 345 HD22 LEU 43 1HD2 LEU 43 -5.501 2.218 6.051 346 HD23 LEU 43 2HD2 LEU 43 -5.728 3.604 7.119 347 H GLY 44 H GLY 44 -7.415 8.278 5.406 348 HA2 GLY 44 1HA GLY 44 -7.471 10.329 6.468 349 HA3 GLY 44 2HA GLY 44 -7.667 9.485 7.997 350 H ASN 45 H ASN 45 -5.395 7.957 8.115 351 HA ASN 45 HA ASN 45 -3.455 9.919 8.866 352 HB2 ASN 45 1HB ASN 45 -3.483 6.905 8.896 353 HB3 ASN 45 2HB ASN 45 -2.055 7.826 9.359 354 HD21 ASN 45 1HD2 ASN 45 -3.751 6.045 10.935 355 HD22 ASN 45 2HD2 ASN 45 -4.310 6.984 12.273 356 H ARG 46 H ARG 46 -3.507 7.313 6.440 357 HA ARG 46 HA ARG 46 -1.043 8.268 5.256 358 HB2 ARG 46 1HB ARG 46 -2.906 5.987 4.613 359 HB3 ARG 46 2HB ARG 46 -1.538 6.400 3.588 360 HG2 ARG 46 1HG ARG 46 -1.197 5.844 6.514 361 HG3 ARG 46 2HG ARG 46 -1.223 4.550 5.314 362 HD2 ARG 46 1HD ARG 46 0.777 5.167 4.403 363 HD3 ARG 46 2HD ARG 46 0.560 6.869 4.812 364 HE ARG 46 HE ARG 46 0.886 5.788 7.228 365 HH11 ARG 46 1HH1 ARG 46 2.662 5.344 4.267 366 HH12 ARG 46 2HH1 ARG 46 4.165 5.015 5.064 367 HH21 ARG 46 1HH2 ARG 46 2.858 5.357 8.289 368 HH22 ARG 46 2HH2 ARG 46 4.275 5.022 7.353 369 H THR 47 H THR 47 -0.873 8.824 2.988 370 HA THR 47 HA THR 47 -3.321 10.101 1.954 371 HB THR 47 HB THR 47 -1.982 11.855 0.981 372 HG1 THR 47 1HG THR 47 0.129 11.681 0.763 373 HG21 THR 47 3HG2 THR 47 -1.245 12.991 2.952 374 HG22 THR 47 1HG2 THR 47 -1.023 11.470 3.815 375 HG23 THR 47 2HG2 THR 47 -2.646 12.017 3.397 376 H ALA 48 H ALA 48 -3.510 10.250 -0.364 377 HA ALA 48 HA ALA 48 -3.328 7.977 -1.783 378 HB1 ALA 48 3HB ALA 48 -4.089 9.213 -3.475 379 HB2 ALA 48 1HB ALA 48 -3.943 10.598 -2.392 380 HB3 ALA 48 2HB ALA 48 -2.634 10.208 -3.508 381 H LYS 49 H LYS 49 -0.679 10.082 -1.015 382 HA LYS 49 HA LYS 49 1.133 8.915 -2.931 383 HB2 LYS 49 1HB LYS 49 1.126 11.308 -1.762 384 HB3 LYS 49 2HB LYS 49 2.127 10.465 -0.588 385 HG2 LYS 49 1HG LYS 49 2.714 10.477 -3.536 386 HG3 LYS 49 2HG LYS 49 3.358 11.675 -2.411 387 HD2 LYS 49 1HD LYS 49 5.073 10.173 -2.363 388 HD3 LYS 49 2HD LYS 49 4.068 9.490 -1.082 389 HE2 LYS 49 1HE LYS 49 4.458 7.610 -2.321 390 HE3 LYS 49 2HE LYS 49 2.986 8.185 -3.102 391 HZ1 LYS 49 3HZ LYS 49 5.556 7.821 -4.217 392 HZ2 LYS 49 1HZ LYS 49 5.095 9.441 -4.379 393 HZ3 LYS 49 2HZ LYS 49 4.107 8.215 -4.995 394 H GLN 50 H GLN 50 1.319 9.122 0.627 395 HA GLN 50 HA GLN 50 3.227 7.217 1.067 396 HB2 GLN 50 1HB GLN 50 0.835 8.029 2.694 397 HB3 GLN 50 2HB GLN 50 1.943 6.793 3.272 398 HG2 GLN 50 1HG GLN 50 2.889 8.600 4.248 399 HG3 GLN 50 2HG GLN 50 3.735 8.652 2.702 400 HE21 GLN 50 1HE2 GLN 50 3.170 10.219 1.185 401 HE22 GLN 50 2HE2 GLN 50 2.263 11.625 1.617 402 H VAL 51 H VAL 51 -0.142 6.728 0.278 403 HA VAL 51 HA VAL 51 -0.255 3.965 0.938 404 HB VAL 51 HB VAL 51 -1.957 5.546 -0.994 405 HG11 VAL 51 1HG1 VAL 51 -3.284 3.746 -1.301 406 HG12 VAL 51 2HG1 VAL 51 -1.805 2.861 -0.922 407 HG13 VAL 51 3HG1 VAL 51 -3.016 3.134 0.331 408 HG21 VAL 51 3HG2 VAL 51 -3.536 5.138 1.130 409 HG22 VAL 51 1HG2 VAL 51 -1.972 5.202 1.943 410 HG23 VAL 51 2HG2 VAL 51 -2.509 6.562 0.957 411 H ALA 52 H ALA 52 0.405 5.740 -2.052 412 HA ALA 52 HA ALA 52 0.483 3.587 -3.822 413 HB1 ALA 52 3HB ALA 52 1.433 6.353 -3.807 414 HB2 ALA 52 1HB ALA 52 2.377 5.273 -4.833 415 HB3 ALA 52 2HB ALA 52 0.638 5.431 -5.083 416 H SER 53 H SER 53 3.103 5.031 -1.901 417 HA SER 53 HA SER 53 5.205 3.464 -2.819 418 HB2 SER 53 1HB SER 53 6.368 4.064 -0.776 419 HB3 SER 53 2HB SER 53 5.438 5.454 -1.336 420 HG SER 53 HG SER 53 3.798 4.792 0.185 421 H GLN 54 H GLN 54 2.983 2.861 -0.115 422 HA GLN 54 HA GLN 54 4.130 0.435 0.721 423 HB2 GLN 54 1HB GLN 54 2.501 1.807 2.032 424 HB3 GLN 54 2HB GLN 54 1.229 1.248 0.954 425 HG2 GLN 54 1HG GLN 54 1.323 0.018 3.088 426 HG3 GLN 54 2HG GLN 54 1.528 -1.015 1.674 427 HE21 GLN 54 1HE2 GLN 54 2.832 -0.003 4.626 428 HE22 GLN 54 2HE2 GLN 54 4.342 -0.836 4.524 429 H VAL 55 H VAL 55 1.512 1.130 -1.563 430 HA VAL 55 HA VAL 55 0.626 -1.426 -2.103 431 HB VAL 55 HB VAL 55 0.949 0.850 -4.065 432 HG11 VAL 55 1HG1 VAL 55 -0.655 -1.696 -4.231 433 HG12 VAL 55 2HG1 VAL 55 -0.879 -0.313 -5.303 434 HG13 VAL 55 3HG1 VAL 55 0.655 -1.184 -5.293 435 HG21 VAL 55 3HG2 VAL 55 -0.732 1.827 -2.992 436 HG22 VAL 55 1HG2 VAL 55 -1.739 0.405 -3.269 437 HG23 VAL 55 2HG2 VAL 55 -0.751 0.515 -1.813 438 H GLN 56 H GLN 56 3.544 0.173 -3.199 439 HA GLN 56 HA GLN 56 4.266 -1.526 -5.291 440 HB2 GLN 56 1HB GLN 56 5.974 0.025 -3.343 441 HB3 GLN 56 2HB GLN 56 6.620 -0.809 -4.751 442 HG2 GLN 56 1HG GLN 56 4.441 1.223 -5.026 443 HG3 GLN 56 2HG GLN 56 6.134 1.704 -4.918 444 HE21 GLN 56 1HE2 GLN 56 7.575 1.029 -6.557 445 HE22 GLN 56 2HE2 GLN 56 6.997 0.596 -8.127 446 H LYS 57 H LYS 57 4.899 -1.780 -1.816 447 HA LYS 57 HA LYS 57 6.235 -4.339 -2.183 448 HB2 LYS 57 1HB LYS 57 5.664 -2.715 0.302 449 HB3 LYS 57 2HB LYS 57 6.552 -4.233 0.286 450 HG2 LYS 57 1HG LYS 57 8.305 -2.804 0.229 451 HG3 LYS 57 2HG LYS 57 8.005 -2.924 -1.506 452 HD2 LYS 57 1HD LYS 57 8.077 -0.653 -1.303 453 HD3 LYS 57 2HD LYS 57 6.361 -0.910 -0.981 454 HE2 LYS 57 1HE LYS 57 6.712 -0.767 1.378 455 HE3 LYS 57 2HE LYS 57 8.463 -0.770 1.172 456 HZ1 LYS 57 3HZ LYS 57 7.910 1.347 -0.252 457 HZ2 LYS 57 1HZ LYS 57 8.092 1.443 1.427 458 HZ3 LYS 57 2HZ LYS 57 6.545 1.397 0.746 459 H TYR 58 H TYR 58 3.257 -3.775 -2.598 460 HA TYR 58 HA TYR 58 2.261 -5.915 -0.833 461 HB2 TYR 58 1HB TYR 58 1.006 -3.364 -1.745 462 HB3 TYR 58 2HB TYR 58 -0.032 -4.762 -1.487 463 HD1 TYR 58 1HD TYR 58 2.977 -3.629 0.402 464 HD2 TYR 58 2HD TYR 58 -1.221 -4.317 0.459 465 HE1 TYR 58 1HE TYR 58 2.937 -3.147 2.814 466 HE2 TYR 58 2HE TYR 58 -1.273 -3.836 2.871 467 HH TYR 58 HH TYR 58 0.917 -4.011 4.828 468 H PHE 59 H PHE 59 2.608 -4.732 -4.060 469 HA PHE 59 HA PHE 59 1.191 -7.111 -5.068 470 HB2 PHE 59 1HB PHE 59 1.448 -4.396 -6.377 471 HB3 PHE 59 2HB PHE 59 0.711 -5.811 -7.124 472 HD1 PHE 59 2HD PHE 59 0.447 -4.013 -3.859 473 HD2 PHE 59 1HD PHE 59 -1.572 -5.788 -7.159 474 HE1 PHE 59 2HE PHE 59 -1.717 -3.408 -2.856 475 HE2 PHE 59 1HE PHE 59 -3.739 -5.185 -6.162 476 HZ PHE 59 HZ PHE 59 -3.814 -3.995 -4.007 477 H ILE 60 H ILE 60 3.844 -4.837 -5.666 478 HA ILE 60 HA ILE 60 5.039 -6.469 -7.697 479 HB ILE 60 HB ILE 60 6.396 -4.263 -6.157 480 HG12 ILE 60 1HG1 ILE 60 4.775 -3.960 -8.690 481 HG13 ILE 60 2HG1 ILE 60 4.159 -3.571 -7.088 482 HG21 ILE 60 1HG2 ILE 60 6.801 -5.277 -8.967 483 HG22 ILE 60 2HG2 ILE 60 7.736 -4.020 -8.159 484 HG23 ILE 60 3HG2 ILE 60 7.813 -5.684 -7.582 485 HD11 ILE 60 3HD1 ILE 60 5.195 -1.735 -8.651 486 HD12 ILE 60 1HD1 ILE 60 5.433 -1.695 -6.904 487 HD13 ILE 60 2HD1 ILE 60 6.706 -2.320 -7.954 488 H LYS 61 H LYS 61 5.022 -6.528 -4.307 489 HA LYS 61 HA LYS 61 7.634 -7.628 -3.902 490 HB2 LYS 61 1HB LYS 61 6.149 -6.405 -2.192 491 HB3 LYS 61 2HB LYS 61 5.307 -7.939 -2.019 492 HG2 LYS 61 1HG LYS 61 7.299 -9.019 -1.248 493 HG3 LYS 61 2HG LYS 61 8.265 -7.584 -1.597 494 HD2 LYS 61 1HD LYS 61 6.715 -6.373 0.045 495 HD3 LYS 61 2HD LYS 61 6.203 -7.985 0.552 496 HE2 LYS 61 1HE LYS 61 7.932 -7.314 2.032 497 HE3 LYS 61 2HE LYS 61 8.628 -8.515 0.946 498 HZ1 LYS 61 3HZ LYS 61 9.716 -6.115 1.469 499 HZ2 LYS 61 1HZ LYS 61 8.885 -5.790 0.032 500 HZ3 LYS 61 2HZ LYS 61 10.036 -7.028 0.082 501 H LEU 62 H LEU 62 4.366 -8.955 -4.184 502 HA LEU 62 HA LEU 62 5.188 -11.658 -3.739 503 HB2 LEU 62 1HB LEU 62 2.962 -12.258 -4.138 504 HB3 LEU 62 2HB LEU 62 2.881 -10.679 -3.358 505 HG LEU 62 HG LEU 62 2.741 -9.816 -5.837 506 HD11 LEU 62 1HD1 LEU 62 2.989 -12.407 -6.453 507 HD12 LEU 62 2HD1 LEU 62 2.094 -11.261 -7.450 508 HD13 LEU 62 3HD1 LEU 62 1.233 -12.309 -6.323 509 HD21 LEU 62 3HD2 LEU 62 0.467 -11.114 -4.341 510 HD22 LEU 62 1HD2 LEU 62 0.276 -9.998 -5.694 511 HD23 LEU 62 2HD2 LEU 62 1.020 -9.445 -4.193 512 H THR 63 H THR 63 4.559 -9.663 -6.577 513 HA THR 63 HA THR 63 4.514 -11.501 -8.601 514 HB THR 63 HB THR 63 5.668 -9.766 -10.023 515 HG1 THR 63 1HG THR 63 6.029 -7.733 -8.959 516 HG21 THR 63 3HG2 THR 63 3.126 -9.789 -8.933 517 HG22 THR 63 1HG2 THR 63 3.665 -8.803 -10.290 518 HG23 THR 63 2HG2 THR 63 3.681 -8.139 -8.657 519 H LYS 64 H LYS 64 5.859 -12.990 -9.370 520 HA LYS 64 HA LYS 64 8.250 -13.708 -8.188 521 HB2 LYS 64 1HB LYS 64 7.153 -14.232 -10.943 522 HB3 LYS 64 2HB LYS 64 8.690 -14.906 -10.417 523 HG2 LYS 64 1HG LYS 64 7.713 -16.347 -8.938 524 HG3 LYS 64 2HG LYS 64 6.302 -15.316 -8.694 525 HD2 LYS 64 1HD LYS 64 6.784 -16.573 -11.364 526 HD3 LYS 64 2HD LYS 64 6.081 -17.529 -10.058 527 HE2 LYS 64 1HE LYS 64 4.347 -15.747 -9.798 528 HE3 LYS 64 2HE LYS 64 5.000 -14.977 -11.243 529 HZ1 LYS 64 3HZ LYS 64 3.634 -16.273 -12.390 530 HZ2 LYS 64 1HZ LYS 64 3.231 -17.196 -11.030 531 HZ3 LYS 64 2HZ LYS 64 4.592 -17.596 -11.950 532 H ALA 65 H ALA 65 7.951 -12.157 -11.390 533 HA ALA 65 HA ALA 65 10.733 -11.333 -11.266 534 HB1 ALA 65 3HB ALA 65 8.638 -11.053 -13.412 535 HB2 ALA 65 1HB ALA 65 10.292 -10.458 -13.561 536 HB3 ALA 65 2HB ALA 65 9.989 -12.186 -13.370 537 H GLY 66 H GLY 66 11.471 -9.242 -11.135 538 HA2 GLY 66 1HA GLY 66 11.063 -6.850 -11.298 539 HA3 GLY 66 2HA GLY 66 9.436 -7.148 -10.705 540 H ILE 67 H ILE 67 12.449 -8.486 -9.434 541 HA ILE 67 HA ILE 67 12.354 -6.707 -7.136 542 HB ILE 67 HB ILE 67 12.101 -9.701 -6.822 543 HG12 ILE 67 1HG1 ILE 67 10.211 -7.520 -5.922 544 HG13 ILE 67 2HG1 ILE 67 10.007 -8.432 -7.414 545 HG21 ILE 67 1HG2 ILE 67 12.119 -7.684 -4.601 546 HG22 ILE 67 2HG2 ILE 67 12.334 -9.432 -4.511 547 HG23 ILE 67 3HG2 ILE 67 13.606 -8.422 -5.196 548 HD11 ILE 67 3HD1 ILE 67 8.848 -9.914 -6.256 549 HD12 ILE 67 1HD1 ILE 67 10.335 -10.347 -5.412 550 HD13 ILE 67 2HD1 ILE 67 9.260 -9.123 -4.735 551 HA PRO 68 HA PRO 68 16.722 -7.152 -7.572 552 HB2 PRO 68 1HB PRO 68 17.458 -6.074 -5.191 553 HB3 PRO 68 2HB PRO 68 16.872 -5.102 -6.546 554 HG2 PRO 68 1HG PRO 68 15.397 -6.060 -4.123 555 HG3 PRO 68 2HG PRO 68 15.352 -4.468 -4.904 556 HD2 PRO 68 1HD PRO 68 13.424 -6.331 -5.281 557 HD3 PRO 68 2HD PRO 68 13.894 -5.173 -6.543 558 H VAL 69 H VAL 69 18.601 -7.747 -5.863 559 HA VAL 69 HA VAL 69 17.768 -10.078 -4.290 560 HB VAL 69 HB VAL 69 20.002 -10.116 -6.325 561 HG11 VAL 69 1HG1 VAL 69 19.437 -12.692 -5.313 562 HG12 VAL 69 2HG1 VAL 69 20.918 -11.750 -5.135 563 HG13 VAL 69 3HG1 VAL 69 19.638 -11.618 -3.928 564 HG21 VAL 69 3HG2 VAL 69 17.217 -11.141 -6.302 565 HG22 VAL 69 1HG2 VAL 69 18.185 -10.518 -7.638 566 HG23 VAL 69 2HG2 VAL 69 18.455 -12.155 -7.042 567 H SER 70 H SER 70 18.937 -10.423 -2.458 568 HA SER 70 HA SER 70 21.537 -9.419 -1.986 569 HB2 SER 70 1HB SER 70 20.341 -7.256 -1.941 570 HB3 SER 70 2HB SER 70 19.298 -7.871 -0.658 571 HG SER 70 HG SER 70 21.939 -7.032 -0.559 572 H GLY 71 H GLY 71 22.426 -10.326 -0.181 573 HA2 GLY 71 1HA GLY 71 20.597 -11.962 1.466 574 HA3 GLY 71 2HA GLY 71 22.238 -12.438 1.055 575 HA PRO 72 HA PRO 72 22.100 -10.352 5.262 576 HB2 PRO 72 1HB PRO 72 23.069 -12.462 6.668 577 HB3 PRO 72 2HB PRO 72 21.345 -12.219 6.368 578 HG2 PRO 72 1HG PRO 72 23.282 -14.004 4.947 579 HG3 PRO 72 2HG PRO 72 21.619 -14.343 5.462 580 HD2 PRO 72 1HD PRO 72 22.252 -13.703 2.908 581 HD3 PRO 72 2HD PRO 72 20.703 -13.253 3.649 582 H SER 73 H SER 73 24.496 -12.681 4.021 583 HA SER 73 HA SER 73 26.625 -10.870 4.948 584 HB2 SER 73 1HB SER 73 28.093 -12.764 5.062 585 HB3 SER 73 2HB SER 73 26.592 -13.222 5.866 586 HG SER 73 HG SER 73 27.100 -14.886 4.515 587 H SER 74 H SER 74 28.604 -10.856 3.570 588 HA SER 74 HA SER 74 27.819 -10.451 0.803 589 HB2 SER 74 1HB SER 74 29.189 -8.763 2.048 590 HB3 SER 74 2HB SER 74 30.506 -9.935 2.097 591 HG SER 74 HG SER 74 29.557 -8.414 -0.012 592 H GLY 75 H GLY 75 27.815 -12.209 -0.450 593 HA2 GLY 75 1HA GLY 75 28.431 -14.256 -1.325 594 HA3 GLY 75 2HA GLY 75 30.008 -13.486 -1.413 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.635 -12.547 5.221 2 HA2 GLY 1 1HA GLY 1 3.698 -13.236 7.676 3 HA3 GLY 1 2HA GLY 1 4.661 -14.103 6.488 4 H SER 2 H SER 2 5.964 -12.356 8.036 5 HA SER 2 HA SER 2 6.692 -10.264 6.129 6 HB2 SER 2 1HB SER 2 6.050 -9.746 9.041 7 HB3 SER 2 2HB SER 2 6.826 -8.582 7.967 8 HG SER 2 HG SER 2 4.185 -9.466 8.036 9 H SER 3 H SER 3 8.739 -9.094 6.983 10 HA SER 3 HA SER 3 10.584 -11.186 7.907 11 HB2 SER 3 1HB SER 3 10.913 -8.771 6.156 12 HB3 SER 3 2HB SER 3 12.312 -9.449 6.988 13 HG SER 3 HG SER 3 12.137 -11.276 5.835 14 H GLY 4 H GLY 4 10.329 -7.628 8.137 15 HA2 GLY 4 1HA GLY 4 10.004 -6.898 10.569 16 HA3 GLY 4 2HA GLY 4 11.468 -7.829 10.849 17 H SER 5 H SER 5 10.358 -4.791 10.486 18 HA SER 5 HA SER 5 13.002 -3.819 9.687 19 HB2 SER 5 1HB SER 5 10.407 -3.219 8.334 20 HB3 SER 5 2HB SER 5 11.596 -1.923 8.473 21 HG SER 5 HG SER 5 12.816 -2.893 7.051 22 H SER 6 H SER 6 13.301 -1.497 10.230 23 HA SER 6 HA SER 6 11.557 -0.564 12.394 24 HB2 SER 6 1HB SER 6 14.556 -0.911 12.573 25 HB3 SER 6 2HB SER 6 13.620 0.062 13.708 26 HG SER 6 HG SER 6 12.392 -2.244 13.551 27 H GLY 7 H GLY 7 12.390 1.725 13.113 28 HA2 GLY 7 1HA GLY 7 13.832 3.404 11.459 29 HA3 GLY 7 2HA GLY 7 12.200 3.391 10.809 30 H ASN 8 H ASN 8 11.126 5.137 11.422 31 HA ASN 8 HA ASN 8 11.286 5.957 14.240 32 HB2 ASN 8 1HB ASN 8 12.671 7.424 12.670 33 HB3 ASN 8 2HB ASN 8 11.138 7.955 11.985 34 HD21 ASN 8 1HD2 ASN 8 12.430 9.949 12.882 35 HD22 ASN 8 2HD2 ASN 8 11.918 10.473 14.447 36 H GLN 9 H GLN 9 9.512 6.327 11.182 37 HA GLN 9 HA GLN 9 7.012 6.245 12.722 38 HB2 GLN 9 1HB GLN 9 7.752 8.187 10.540 39 HB3 GLN 9 2HB GLN 9 6.083 7.874 10.994 40 HG2 GLN 9 1HG GLN 9 6.829 8.472 13.374 41 HG3 GLN 9 2HG GLN 9 8.254 9.162 12.598 42 HE21 GLN 9 1HE2 GLN 9 6.328 10.589 14.110 43 HE22 GLN 9 2HE2 GLN 9 5.574 11.731 13.056 44 H LEU 10 H LEU 10 7.015 3.997 12.106 45 HA LEU 10 HA LEU 10 6.577 3.461 9.261 46 HB2 LEU 10 1HB LEU 10 7.370 1.838 11.614 47 HB3 LEU 10 2HB LEU 10 6.465 1.029 10.337 48 HG LEU 10 HG LEU 10 8.953 2.583 9.713 49 HD11 LEU 10 1HD1 LEU 10 9.109 -0.350 10.141 50 HD12 LEU 10 2HD1 LEU 10 9.144 0.699 11.558 51 HD13 LEU 10 3HD1 LEU 10 10.357 0.887 10.292 52 HD21 LEU 10 3HD2 LEU 10 7.098 1.412 8.116 53 HD22 LEU 10 1HD2 LEU 10 8.263 0.101 8.305 54 HD23 LEU 10 2HD2 LEU 10 8.787 1.662 7.671 55 H TRP 11 H TRP 11 4.857 1.748 8.810 56 HA TRP 11 HA TRP 11 2.342 2.777 9.527 57 HB2 TRP 11 1HB TRP 11 3.244 0.270 8.141 58 HB3 TRP 11 2HB TRP 11 1.543 0.509 8.533 59 HD1 TRP 11 HD TRP 11 4.219 2.832 6.917 60 HE1 TRP 11 1HE TRP 11 3.178 3.874 4.806 61 HE3 TRP 11 3HE TRP 11 -0.372 0.590 7.087 62 HZ2 TRP 11 2HZ TRP 11 0.733 3.761 3.400 63 HZ3 TRP 11 3HZ TRP 11 -2.005 1.112 5.322 64 HH2 TRP 11 HH TRP 11 -1.463 2.665 3.518 65 H THR 12 H THR 12 0.585 1.042 10.278 66 HA THR 12 HA THR 12 1.576 -0.432 12.608 67 HB THR 12 HB THR 12 0.901 1.766 13.466 68 HG1 THR 12 1HG THR 12 0.515 0.007 14.826 69 HG21 THR 12 3HG2 THR 12 -1.717 1.092 12.137 70 HG22 THR 12 1HG2 THR 12 -0.704 2.512 11.884 71 HG23 THR 12 2HG2 THR 12 -1.572 2.308 13.406 72 H VAL 13 H VAL 13 0.258 -2.143 13.281 73 HA VAL 13 HA VAL 13 -0.910 -3.782 11.549 74 HB VAL 13 HB VAL 13 -1.967 -3.230 14.324 75 HG11 VAL 13 1HG1 VAL 13 -2.358 -5.748 12.725 76 HG12 VAL 13 2HG1 VAL 13 -3.114 -5.296 14.254 77 HG13 VAL 13 3HG1 VAL 13 -3.548 -4.448 12.770 78 HG21 VAL 13 3HG2 VAL 13 0.367 -4.618 13.272 79 HG22 VAL 13 1HG2 VAL 13 0.014 -4.079 14.914 80 HG23 VAL 13 2HG2 VAL 13 -0.610 -5.626 14.340 81 H GLU 14 H GLU 14 -2.631 -1.102 13.116 82 HA GLU 14 HA GLU 14 -5.178 -1.501 12.178 83 HB2 GLU 14 1HB GLU 14 -3.675 1.093 12.534 84 HB3 GLU 14 2HB GLU 14 -5.403 1.006 12.226 85 HG2 GLU 14 1HG GLU 14 -5.878 0.191 14.307 86 HG3 GLU 14 2HG GLU 14 -4.288 -0.543 14.504 87 H GLU 15 H GLU 15 -2.927 0.773 10.604 88 HA GLU 15 HA GLU 15 -4.388 0.937 8.212 89 HB2 GLU 15 1HB GLU 15 -1.472 1.499 8.769 90 HB3 GLU 15 2HB GLU 15 -2.283 1.908 7.264 91 HG2 GLU 15 1HG GLU 15 -3.126 2.931 9.962 92 HG3 GLU 15 2HG GLU 15 -2.054 3.795 8.862 93 H GLN 16 H GLN 16 -1.754 -1.171 9.213 94 HA GLN 16 HA GLN 16 -0.924 -2.289 6.871 95 HB2 GLN 16 1HB GLN 16 -1.436 -3.609 9.533 96 HB3 GLN 16 2HB GLN 16 -0.654 -4.439 8.195 97 HG2 GLN 16 1HG GLN 16 1.053 -2.601 8.184 98 HG3 GLN 16 2HG GLN 16 0.331 -2.025 9.685 99 HE21 GLN 16 1HE2 GLN 16 1.408 -5.110 8.291 100 HE22 GLN 16 2HE2 GLN 16 2.253 -5.645 9.699 101 H LYS 17 H LYS 17 -3.404 -3.905 8.855 102 HA LYS 17 HA LYS 17 -4.361 -5.424 6.636 103 HB2 LYS 17 1HB LYS 17 -6.127 -6.165 8.223 104 HB3 LYS 17 2HB LYS 17 -4.497 -6.363 8.853 105 HG2 LYS 17 1HG LYS 17 -5.009 -3.962 9.862 106 HG3 LYS 17 2HG LYS 17 -6.668 -4.551 9.730 107 HD2 LYS 17 1HD LYS 17 -5.761 -6.672 10.894 108 HD3 LYS 17 2HD LYS 17 -4.394 -5.651 11.344 109 HE2 LYS 17 1HE LYS 17 -7.293 -5.316 12.070 110 HE3 LYS 17 2HE LYS 17 -5.918 -5.548 13.149 111 HZ1 LYS 17 3HZ LYS 17 -5.556 -3.245 11.530 112 HZ2 LYS 17 1HZ LYS 17 -5.579 -3.373 13.217 113 HZ3 LYS 17 2HZ LYS 17 -7.024 -3.151 12.366 114 H LYS 18 H LYS 18 -5.594 -2.634 8.442 115 HA LYS 18 HA LYS 18 -8.079 -2.342 7.298 116 HB2 LYS 18 1HB LYS 18 -7.240 -0.941 9.137 117 HB3 LYS 18 2HB LYS 18 -6.142 -0.135 8.023 118 HG2 LYS 18 1HG LYS 18 -7.907 0.922 6.884 119 HG3 LYS 18 2HG LYS 18 -9.118 -0.124 7.630 120 HD2 LYS 18 1HD LYS 18 -8.718 0.892 9.788 121 HD3 LYS 18 2HD LYS 18 -7.405 1.865 9.120 122 HE2 LYS 18 1HE LYS 18 -8.831 3.289 8.036 123 HE3 LYS 18 2HE LYS 18 -10.089 2.068 7.856 124 HZ1 LYS 18 3HZ LYS 18 -11.037 2.679 9.760 125 HZ2 LYS 18 1HZ LYS 18 -10.083 4.075 9.680 126 HZ3 LYS 18 2HZ LYS 18 -9.566 2.748 10.593 127 H LEU 19 H LEU 19 -4.947 -1.638 5.924 128 HA LEU 19 HA LEU 19 -5.954 -0.146 3.694 129 HB2 LEU 19 1HB LEU 19 -3.764 0.385 4.184 130 HB3 LEU 19 2HB LEU 19 -3.315 -1.293 4.481 131 HG LEU 19 HG LEU 19 -3.377 -1.720 2.059 132 HD11 LEU 19 1HD1 LEU 19 -3.891 -0.142 0.473 133 HD12 LEU 19 2HD1 LEU 19 -3.537 1.212 1.546 134 HD13 LEU 19 3HD1 LEU 19 -5.024 0.288 1.754 135 HD21 LEU 19 3HD2 LEU 19 -1.551 0.143 3.394 136 HD22 LEU 19 1HD2 LEU 19 -1.510 0.214 1.632 137 HD23 LEU 19 2HD2 LEU 19 -1.208 -1.314 2.460 138 H GLU 20 H GLU 20 -4.489 -3.389 3.979 139 HA GLU 20 HA GLU 20 -4.758 -4.312 1.439 140 HB2 GLU 20 1HB GLU 20 -5.024 -5.664 4.094 141 HB3 GLU 20 2HB GLU 20 -5.360 -6.579 2.631 142 HG2 GLU 20 1HG GLU 20 -3.125 -6.077 1.796 143 HG3 GLU 20 2HG GLU 20 -2.787 -5.148 3.255 144 H GLN 21 H GLN 21 -7.306 -4.202 3.896 145 HA GLN 21 HA GLN 21 -9.299 -5.491 2.387 146 HB2 GLN 21 1HB GLN 21 -9.248 -3.747 4.794 147 HB3 GLN 21 2HB GLN 21 -10.790 -3.938 3.969 148 HG2 GLN 21 1HG GLN 21 -9.093 -6.237 4.907 149 HG3 GLN 21 2HG GLN 21 -10.401 -5.523 5.850 150 HE21 GLN 21 1HE2 GLN 21 -11.651 -7.354 5.872 151 HE22 GLN 21 2HE2 GLN 21 -12.438 -7.975 4.465 152 H LEU 22 H LEU 22 -8.629 -2.029 2.864 153 HA LEU 22 HA LEU 22 -10.676 -0.980 1.324 154 HB2 LEU 22 1HB LEU 22 -7.899 -0.026 1.923 155 HB3 LEU 22 2HB LEU 22 -8.972 0.906 0.881 156 HG LEU 22 HG LEU 22 -9.768 0.117 3.669 157 HD11 LEU 22 1HD1 LEU 22 -8.355 1.564 4.571 158 HD12 LEU 22 2HD1 LEU 22 -8.969 2.846 3.528 159 HD13 LEU 22 3HD1 LEU 22 -7.630 1.834 2.986 160 HD21 LEU 22 3HD2 LEU 22 -11.675 0.959 2.833 161 HD22 LEU 22 1HD2 LEU 22 -10.853 1.772 1.501 162 HD23 LEU 22 2HD2 LEU 22 -10.896 2.519 3.099 163 H LEU 23 H LEU 23 -7.385 -1.852 0.284 164 HA LEU 23 HA LEU 23 -7.376 -1.118 -2.320 165 HB2 LEU 23 1HB LEU 23 -6.383 -3.679 -1.094 166 HB3 LEU 23 2HB LEU 23 -6.047 -3.223 -2.763 167 HG LEU 23 HG LEU 23 -5.290 -1.394 -0.516 168 HD11 LEU 23 1HD1 LEU 23 -3.845 -2.859 0.308 169 HD12 LEU 23 2HD1 LEU 23 -3.014 -2.849 -1.247 170 HD13 LEU 23 3HD1 LEU 23 -4.269 -4.046 -0.926 171 HD21 LEU 23 3HD2 LEU 23 -3.534 -1.727 -2.819 172 HD22 LEU 23 1HD2 LEU 23 -4.200 -0.260 -2.101 173 HD23 LEU 23 2HD2 LEU 23 -5.159 -1.192 -3.250 174 H ILE 24 H ILE 24 -8.900 -4.049 -1.023 175 HA ILE 24 HA ILE 24 -9.806 -5.042 -3.509 176 HB ILE 24 HB ILE 24 -10.930 -5.534 -0.749 177 HG12 ILE 24 1HG1 ILE 24 -9.158 -7.409 -2.284 178 HG13 ILE 24 2HG1 ILE 24 -8.453 -6.105 -1.334 179 HG21 ILE 24 1HG2 ILE 24 -12.403 -6.971 -1.621 180 HG22 ILE 24 2HG2 ILE 24 -12.098 -6.151 -3.151 181 HG23 ILE 24 3HG2 ILE 24 -11.223 -7.630 -2.754 182 HD11 ILE 24 3HD1 ILE 24 -8.690 -8.413 -0.258 183 HD12 ILE 24 1HD1 ILE 24 -9.198 -7.004 0.672 184 HD13 ILE 24 2HD1 ILE 24 -10.404 -8.019 -0.120 185 H LYS 25 H LYS 25 -11.343 -3.023 -1.036 186 HA LYS 25 HA LYS 25 -13.899 -2.893 -2.168 187 HB2 LYS 25 1HB LYS 25 -13.566 -2.129 0.076 188 HB3 LYS 25 2HB LYS 25 -12.382 -0.936 -0.441 189 HG2 LYS 25 1HG LYS 25 -14.163 0.261 -1.655 190 HG3 LYS 25 2HG LYS 25 -15.334 -0.906 -1.036 191 HD2 LYS 25 1HD LYS 25 -14.813 -0.242 1.247 192 HD3 LYS 25 2HD LYS 25 -13.591 0.887 0.656 193 HE2 LYS 25 1HE LYS 25 -15.163 2.356 -0.179 194 HE3 LYS 25 2HE LYS 25 -16.400 1.109 -0.331 195 HZ1 LYS 25 3HZ LYS 25 -17.043 1.359 1.801 196 HZ2 LYS 25 1HZ LYS 25 -16.388 2.907 1.611 197 HZ3 LYS 25 2HZ LYS 25 -15.485 1.693 2.367 198 H TYR 26 H TYR 26 -11.061 -0.820 -2.646 199 HA TYR 26 HA TYR 26 -12.475 0.633 -4.755 200 HB2 TYR 26 1HB TYR 26 -9.893 1.129 -3.283 201 HB3 TYR 26 2HB TYR 26 -10.325 2.030 -4.732 202 HD1 TYR 26 1HD TYR 26 -12.367 3.471 -4.718 203 HD2 TYR 26 2HD TYR 26 -10.868 1.642 -1.180 204 HE1 TYR 26 1HE TYR 26 -13.687 5.037 -3.356 205 HE2 TYR 26 2HE TYR 26 -12.185 3.202 0.191 206 HH TYR 26 HH TYR 26 -13.803 4.762 0.166 207 HA PRO 27 HA PRO 27 -10.409 -2.269 -7.532 208 HB2 PRO 27 1HB PRO 27 -11.936 -1.626 -9.683 209 HB3 PRO 27 2HB PRO 27 -12.478 -2.733 -8.416 210 HG2 PRO 27 1HG PRO 27 -13.112 0.168 -8.795 211 HG3 PRO 27 2HG PRO 27 -14.193 -1.163 -8.344 212 HD2 PRO 27 1HD PRO 27 -13.186 0.574 -6.528 213 HD3 PRO 27 2HD PRO 27 -13.526 -1.124 -6.138 214 HA PRO 28 HA PRO 28 -7.603 0.370 -9.657 215 HB2 PRO 28 1HB PRO 28 -7.050 -1.098 -11.873 216 HB3 PRO 28 2HB PRO 28 -6.455 -1.526 -10.264 217 HG2 PRO 28 1HG PRO 28 -8.799 -2.620 -11.770 218 HG3 PRO 28 2HG PRO 28 -7.581 -3.485 -10.815 219 HD2 PRO 28 1HD PRO 28 -10.048 -2.913 -9.856 220 HD3 PRO 28 2HD PRO 28 -8.612 -2.984 -8.815 221 H GLU 29 H GLU 29 -7.988 2.188 -10.742 222 HA GLU 29 HA GLU 29 -9.958 2.130 -12.930 223 HB2 GLU 29 1HB GLU 29 -10.348 4.502 -12.476 224 HB3 GLU 29 2HB GLU 29 -10.636 3.530 -11.040 225 HG2 GLU 29 1HG GLU 29 -8.594 4.226 -10.054 226 HG3 GLU 29 2HG GLU 29 -8.055 4.979 -11.554 227 H GLU 30 H GLU 30 -9.550 4.172 -14.425 228 HA GLU 30 HA GLU 30 -7.309 3.646 -15.961 229 HB2 GLU 30 1HB GLU 30 -9.436 5.028 -16.503 230 HB3 GLU 30 2HB GLU 30 -8.524 6.391 -15.868 231 HG2 GLU 30 1HG GLU 30 -6.779 6.005 -17.527 232 HG3 GLU 30 2HG GLU 30 -7.684 4.632 -18.162 233 H VAL 31 H VAL 31 -7.774 6.252 -13.585 234 HA VAL 31 HA VAL 31 -4.946 6.950 -13.771 235 HB VAL 31 HB VAL 31 -7.147 8.236 -12.149 236 HG11 VAL 31 1HG1 VAL 31 -4.762 8.481 -11.324 237 HG12 VAL 31 2HG1 VAL 31 -4.448 9.389 -12.804 238 HG13 VAL 31 3HG1 VAL 31 -5.639 9.977 -11.643 239 HG21 VAL 31 3HG2 VAL 31 -6.027 9.801 -14.314 240 HG22 VAL 31 1HG2 VAL 31 -6.756 8.303 -14.894 241 HG23 VAL 31 2HG2 VAL 31 -7.712 9.437 -13.940 242 H GLU 32 H GLU 32 -3.525 5.965 -12.507 243 HA GLU 32 HA GLU 32 -4.230 4.290 -10.349 244 HB2 GLU 32 1HB GLU 32 -2.068 4.395 -11.852 245 HB3 GLU 32 2HB GLU 32 -1.484 5.451 -10.573 246 HG2 GLU 32 1HG GLU 32 -0.715 3.404 -9.885 247 HG3 GLU 32 2HG GLU 32 -2.231 3.535 -8.996 248 H SER 33 H SER 33 -2.956 7.589 -10.482 249 HA SER 33 HA SER 33 -2.485 8.003 -7.778 250 HB2 SER 33 1HB SER 33 -2.087 9.540 -9.879 251 HB3 SER 33 2HB SER 33 -3.656 10.210 -9.431 252 HG SER 33 HG SER 33 -2.820 11.028 -7.641 253 H ARG 34 H ARG 34 -5.421 8.927 -9.586 254 HA ARG 34 HA ARG 34 -6.995 9.847 -7.572 255 HB2 ARG 34 1HB ARG 34 -7.637 8.261 -10.031 256 HB3 ARG 34 2HB ARG 34 -8.918 8.665 -8.897 257 HG2 ARG 34 1HG ARG 34 -8.083 11.083 -9.134 258 HG3 ARG 34 2HG ARG 34 -7.243 10.494 -10.569 259 HD2 ARG 34 1HD ARG 34 -9.207 10.039 -11.694 260 HD3 ARG 34 2HD ARG 34 -10.143 9.888 -10.207 261 HE ARG 34 HE ARG 34 -9.124 12.537 -10.766 262 HH11 ARG 34 1HH1 ARG 34 -11.775 10.304 -11.087 263 HH12 ARG 34 2HH1 ARG 34 -12.960 11.543 -11.334 264 HH21 ARG 34 1HH2 ARG 34 -10.675 14.179 -11.090 265 HH22 ARG 34 2HH2 ARG 34 -12.333 13.747 -11.337 266 H ARG 35 H ARG 35 -6.594 6.434 -8.484 267 HA ARG 35 HA ARG 35 -8.357 5.242 -6.750 268 HB2 ARG 35 1HB ARG 35 -7.142 3.946 -8.384 269 HB3 ARG 35 2HB ARG 35 -5.613 4.305 -7.594 270 HG2 ARG 35 1HG ARG 35 -6.295 3.018 -5.647 271 HG3 ARG 35 2HG ARG 35 -7.855 2.686 -6.403 272 HD2 ARG 35 1HD ARG 35 -6.835 1.395 -8.123 273 HD3 ARG 35 2HD ARG 35 -5.221 1.914 -7.638 274 HE ARG 35 HE ARG 35 -6.215 0.666 -5.431 275 HH11 ARG 35 1HH1 ARG 35 -5.787 -0.232 -8.767 276 HH12 ARG 35 2HH1 ARG 35 -5.558 -1.914 -8.420 277 HH21 ARG 35 1HH2 ARG 35 -5.914 -1.546 -4.962 278 HH22 ARG 35 2HH2 ARG 35 -5.631 -2.661 -6.256 279 H TRP 36 H TRP 36 -4.877 5.629 -6.054 280 HA TRP 36 HA TRP 36 -4.860 4.885 -3.426 281 HB2 TRP 36 1HB TRP 36 -3.268 7.254 -4.398 282 HB3 TRP 36 2HB TRP 36 -2.816 6.062 -3.183 283 HD1 TRP 36 HD TRP 36 -1.586 6.930 -6.309 284 HE1 TRP 36 1HE TRP 36 -0.759 4.933 -7.707 285 HE3 TRP 36 3HE TRP 36 -3.939 3.150 -3.796 286 HZ2 TRP 36 2HZ TRP 36 -1.065 2.127 -7.740 287 HZ3 TRP 36 3HZ TRP 36 -3.620 0.838 -4.575 288 HH2 TRP 36 HH TRP 36 -2.212 0.340 -6.507 289 H GLN 37 H GLN 37 -5.542 8.136 -4.690 290 HA GLN 37 HA GLN 37 -5.827 9.516 -2.321 291 HB2 GLN 37 1HB GLN 37 -5.918 10.535 -4.576 292 HB3 GLN 37 2HB GLN 37 -7.523 9.854 -4.801 293 HG2 GLN 37 1HG GLN 37 -8.027 11.991 -4.163 294 HG3 GLN 37 2HG GLN 37 -8.077 11.151 -2.614 295 HE21 GLN 37 1HE2 GLN 37 -6.615 11.653 -1.055 296 HE22 GLN 37 2HE2 GLN 37 -5.458 12.928 -1.197 297 H LYS 38 H LYS 38 -8.285 7.624 -4.049 298 HA LYS 38 HA LYS 38 -10.438 8.139 -2.346 299 HB2 LYS 38 1HB LYS 38 -9.852 5.630 -3.930 300 HB3 LYS 38 2HB LYS 38 -11.414 6.060 -3.246 301 HG2 LYS 38 1HG LYS 38 -11.699 7.848 -4.738 302 HG3 LYS 38 2HG LYS 38 -9.998 7.829 -5.212 303 HD2 LYS 38 1HD LYS 38 -10.495 5.439 -6.052 304 HD3 LYS 38 2HD LYS 38 -12.190 5.923 -5.958 305 HE2 LYS 38 1HE LYS 38 -10.075 7.432 -7.486 306 HE3 LYS 38 2HE LYS 38 -11.150 6.235 -8.206 307 HZ1 LYS 38 3HZ LYS 38 -11.695 8.959 -7.403 308 HZ2 LYS 38 1HZ LYS 38 -12.890 7.845 -6.964 309 HZ3 LYS 38 2HZ LYS 38 -12.441 8.008 -8.586 310 H ILE 39 H ILE 39 -8.369 5.229 -2.380 311 HA ILE 39 HA ILE 39 -9.330 4.032 -0.085 312 HB ILE 39 HB ILE 39 -6.515 4.010 -1.175 313 HG12 ILE 39 1HG1 ILE 39 -8.441 1.730 -1.346 314 HG13 ILE 39 2HG1 ILE 39 -8.643 3.090 -2.445 315 HG21 ILE 39 1HG2 ILE 39 -6.130 3.254 0.955 316 HG22 ILE 39 2HG2 ILE 39 -7.754 2.593 1.131 317 HG23 ILE 39 3HG2 ILE 39 -6.559 1.744 0.151 318 HD11 ILE 39 3HD1 ILE 39 -7.117 2.208 -3.771 319 HD12 ILE 39 1HD1 ILE 39 -5.916 2.384 -2.493 320 HD13 ILE 39 2HD1 ILE 39 -6.851 0.894 -2.625 321 H ALA 40 H ALA 40 -6.647 6.350 -0.370 322 HA ALA 40 HA ALA 40 -5.818 6.438 2.258 323 HB1 ALA 40 3HB ALA 40 -4.623 7.593 0.507 324 HB2 ALA 40 1HB ALA 40 -5.971 8.707 0.278 325 HB3 ALA 40 2HB ALA 40 -5.048 8.735 1.781 326 H ASP 41 H ASP 41 -8.203 8.627 0.752 327 HA ASP 41 HA ASP 41 -8.991 10.161 2.811 328 HB2 ASP 41 1HB ASP 41 -9.995 9.925 0.428 329 HB3 ASP 41 2HB ASP 41 -11.122 8.803 1.185 330 H GLU 42 H GLU 42 -10.134 6.839 2.268 331 HA GLU 42 HA GLU 42 -11.859 6.679 4.460 332 HB2 GLU 42 1HB GLU 42 -10.417 4.702 2.764 333 HB3 GLU 42 2HB GLU 42 -11.112 4.130 4.274 334 HG2 GLU 42 1HG GLU 42 -12.696 5.650 2.227 335 HG3 GLU 42 2HG GLU 42 -12.547 3.894 2.218 336 H LEU 43 H LEU 43 -8.439 5.740 4.194 337 HA LEU 43 HA LEU 43 -8.132 4.853 6.839 338 HB2 LEU 43 1HB LEU 43 -6.130 6.000 4.903 339 HB3 LEU 43 2HB LEU 43 -5.699 5.264 6.445 340 HG LEU 43 HG LEU 43 -7.141 3.799 4.241 341 HD11 LEU 43 1HD1 LEU 43 -4.939 2.730 3.819 342 HD12 LEU 43 2HD1 LEU 43 -4.197 3.936 4.869 343 HD13 LEU 43 3HD1 LEU 43 -4.997 4.438 3.380 344 HD21 LEU 43 3HD2 LEU 43 -7.480 2.818 6.412 345 HD22 LEU 43 1HD2 LEU 43 -5.753 2.899 6.762 346 HD23 LEU 43 2HD2 LEU 43 -6.347 1.817 5.502 347 H GLY 44 H GLY 44 -7.306 8.001 5.378 348 HA2 GLY 44 1HA GLY 44 -7.671 10.089 6.424 349 HA3 GLY 44 2HA GLY 44 -7.811 9.264 7.970 350 H ASN 45 H ASN 45 -5.609 7.956 8.409 351 HA ASN 45 HA ASN 45 -3.667 9.964 8.890 352 HB2 ASN 45 1HB ASN 45 -3.360 6.959 9.085 353 HB3 ASN 45 2HB ASN 45 -2.312 8.162 9.832 354 HD21 ASN 45 1HD2 ASN 45 -3.343 6.318 11.436 355 HD22 ASN 45 2HD2 ASN 45 -4.600 6.972 12.424 356 H ARG 46 H ARG 46 -3.846 7.271 6.595 357 HA ARG 46 HA ARG 46 -1.289 7.944 5.423 358 HB2 ARG 46 1HB ARG 46 -3.397 5.912 4.677 359 HB3 ARG 46 2HB ARG 46 -1.884 6.115 3.804 360 HG2 ARG 46 1HG ARG 46 -2.155 5.349 6.704 361 HG3 ARG 46 2HG ARG 46 -1.769 4.258 5.372 362 HD2 ARG 46 1HD ARG 46 0.333 4.708 6.169 363 HD3 ARG 46 2HD ARG 46 0.172 5.972 4.950 364 HE ARG 46 HE ARG 46 0.145 7.547 6.622 365 HH11 ARG 46 1HH1 ARG 46 -0.248 4.374 7.998 366 HH12 ARG 46 2HH1 ARG 46 -0.055 4.916 9.632 367 HH21 ARG 46 1HH2 ARG 46 0.400 8.273 8.769 368 HH22 ARG 46 2HH2 ARG 46 0.312 7.134 10.070 369 H THR 47 H THR 47 -1.066 8.375 3.103 370 HA THR 47 HA THR 47 -3.359 9.852 1.992 371 HB THR 47 HB THR 47 -2.015 11.644 1.274 372 HG1 THR 47 1HG THR 47 0.329 10.287 2.140 373 HG21 THR 47 3HG2 THR 47 -1.045 12.530 3.286 374 HG22 THR 47 1HG2 THR 47 -0.865 10.914 3.967 375 HG23 THR 47 2HG2 THR 47 -2.474 11.596 3.730 376 H ALA 48 H ALA 48 -3.026 10.307 -0.405 377 HA ALA 48 HA ALA 48 -2.960 7.984 -1.859 378 HB1 ALA 48 3HB ALA 48 -3.884 9.939 -2.838 379 HB2 ALA 48 1HB ALA 48 -2.348 10.799 -2.731 380 HB3 ALA 48 2HB ALA 48 -2.528 9.451 -3.855 381 H LYS 49 H LYS 49 -0.282 9.880 -0.739 382 HA LYS 49 HA LYS 49 1.651 8.689 -2.510 383 HB2 LYS 49 1HB LYS 49 1.796 10.542 -0.154 384 HB3 LYS 49 2HB LYS 49 3.258 9.788 -0.777 385 HG2 LYS 49 1HG LYS 49 1.473 11.168 -2.705 386 HG3 LYS 49 2HG LYS 49 2.443 12.154 -1.609 387 HD2 LYS 49 1HD LYS 49 4.423 11.493 -2.547 388 HD3 LYS 49 2HD LYS 49 3.786 9.925 -3.049 389 HE2 LYS 49 1HE LYS 49 2.767 10.809 -4.945 390 HE3 LYS 49 2HE LYS 49 2.786 12.452 -4.306 391 HZ1 LYS 49 3HZ LYS 49 5.047 12.677 -4.755 392 HZ2 LYS 49 1HZ LYS 49 4.449 11.876 -6.120 393 HZ3 LYS 49 2HZ LYS 49 5.289 11.013 -4.933 394 H GLN 50 H GLN 50 1.404 8.651 1.051 395 HA GLN 50 HA GLN 50 3.143 6.596 1.566 396 HB2 GLN 50 1HB GLN 50 0.628 7.451 2.978 397 HB3 GLN 50 2HB GLN 50 1.624 6.138 3.593 398 HG2 GLN 50 1HG GLN 50 2.478 7.889 4.770 399 HG3 GLN 50 2HG GLN 50 3.544 7.905 3.366 400 HE21 GLN 50 1HE2 GLN 50 3.403 9.566 1.893 401 HE22 GLN 50 2HE2 GLN 50 2.500 11.008 2.191 402 H VAL 51 H VAL 51 -0.084 6.409 0.285 403 HA VAL 51 HA VAL 51 -0.349 3.569 0.715 404 HB VAL 51 HB VAL 51 -2.008 5.454 -0.966 405 HG11 VAL 51 1HG1 VAL 51 -3.328 3.746 -1.587 406 HG12 VAL 51 2HG1 VAL 51 -1.918 2.748 -1.226 407 HG13 VAL 51 3HG1 VAL 51 -3.193 2.943 -0.023 408 HG21 VAL 51 3HG2 VAL 51 -1.875 4.970 1.866 409 HG22 VAL 51 1HG2 VAL 51 -2.837 6.149 0.975 410 HG23 VAL 51 2HG2 VAL 51 -3.460 4.519 1.237 411 H ALA 52 H ALA 52 0.491 5.717 -1.950 412 HA ALA 52 HA ALA 52 0.458 3.838 -4.028 413 HB1 ALA 52 3HB ALA 52 1.356 6.546 -3.646 414 HB2 ALA 52 1HB ALA 52 2.504 5.640 -4.631 415 HB3 ALA 52 2HB ALA 52 0.811 5.741 -5.117 416 H SER 53 H SER 53 3.149 4.915 -1.961 417 HA SER 53 HA SER 53 5.074 3.187 -3.105 418 HB2 SER 53 1HB SER 53 4.913 4.814 -0.598 419 HB3 SER 53 2HB SER 53 6.198 3.618 -0.757 420 HG SER 53 HG SER 53 7.114 4.779 -2.289 421 H GLN 54 H GLN 54 2.951 2.891 -0.291 422 HA GLN 54 HA GLN 54 3.978 0.484 0.713 423 HB2 GLN 54 1HB GLN 54 2.219 2.164 1.693 424 HB3 GLN 54 2HB GLN 54 1.057 1.115 0.893 425 HG2 GLN 54 1HG GLN 54 1.220 0.375 3.125 426 HG3 GLN 54 2HG GLN 54 2.081 -0.805 2.138 427 HE21 GLN 54 1HE2 GLN 54 2.345 -0.229 4.973 428 HE22 GLN 54 2HE2 GLN 54 3.996 0.209 5.227 429 H VAL 55 H VAL 55 1.327 1.087 -1.572 430 HA VAL 55 HA VAL 55 0.445 -1.508 -1.947 431 HB VAL 55 HB VAL 55 0.640 0.675 -4.027 432 HG11 VAL 55 1HG1 VAL 55 -0.742 -0.533 -5.410 433 HG12 VAL 55 2HG1 VAL 55 0.229 -1.825 -4.700 434 HG13 VAL 55 3HG1 VAL 55 -1.395 -1.504 -4.091 435 HG21 VAL 55 3HG2 VAL 55 -0.784 0.694 -1.682 436 HG22 VAL 55 1HG2 VAL 55 -1.168 1.634 -3.124 437 HG23 VAL 55 2HG2 VAL 55 -1.963 0.085 -2.844 438 H GLN 56 H GLN 56 3.211 0.137 -3.382 439 HA GLN 56 HA GLN 56 3.866 -1.714 -5.360 440 HB2 GLN 56 1HB GLN 56 5.659 0.064 -3.701 441 HB3 GLN 56 2HB GLN 56 6.197 -0.829 -5.117 442 HG2 GLN 56 1HG GLN 56 3.888 1.059 -5.299 443 HG3 GLN 56 2HG GLN 56 5.547 1.653 -5.359 444 HE21 GLN 56 1HE2 GLN 56 2.993 0.516 -7.151 445 HE22 GLN 56 2HE2 GLN 56 3.832 0.136 -8.612 446 H LYS 57 H LYS 57 4.946 -1.556 -1.977 447 HA LYS 57 HA LYS 57 6.352 -4.074 -2.211 448 HB2 LYS 57 1HB LYS 57 5.882 -2.167 0.077 449 HB3 LYS 57 2HB LYS 57 6.693 -3.713 0.291 450 HG2 LYS 57 1HG LYS 57 8.564 -3.048 -0.846 451 HG3 LYS 57 2HG LYS 57 7.688 -1.857 -1.811 452 HD2 LYS 57 1HD LYS 57 7.342 -0.660 0.475 453 HD3 LYS 57 2HD LYS 57 8.710 -1.648 0.993 454 HE2 LYS 57 1HE LYS 57 9.794 0.236 0.256 455 HE3 LYS 57 2HE LYS 57 9.801 -0.743 -1.211 456 HZ1 LYS 57 3HZ LYS 57 8.503 0.712 -2.260 457 HZ2 LYS 57 1HZ LYS 57 8.875 1.796 -1.015 458 HZ3 LYS 57 2HZ LYS 57 7.451 0.886 -0.947 459 H TYR 58 H TYR 58 3.375 -3.871 -2.552 460 HA TYR 58 HA TYR 58 2.629 -5.847 -0.497 461 HB2 TYR 58 1HB TYR 58 1.159 -3.489 -1.559 462 HB3 TYR 58 2HB TYR 58 0.218 -4.936 -1.212 463 HD1 TYR 58 1HD TYR 58 3.165 -3.534 0.588 464 HD2 TYR 58 2HD TYR 58 -0.993 -4.428 0.710 465 HE1 TYR 58 1HE TYR 58 3.109 -2.920 2.969 466 HE2 TYR 58 2HE TYR 58 -1.061 -3.815 3.091 467 HH TYR 58 HH TYR 58 1.798 -3.273 4.931 468 H PHE 59 H PHE 59 2.454 -4.873 -3.857 469 HA PHE 59 HA PHE 59 1.271 -7.484 -4.529 470 HB2 PHE 59 1HB PHE 59 1.297 -4.898 -6.098 471 HB3 PHE 59 2HB PHE 59 0.661 -6.424 -6.704 472 HD1 PHE 59 2HD PHE 59 0.323 -4.410 -3.576 473 HD2 PHE 59 1HD PHE 59 -1.619 -6.557 -6.696 474 HE1 PHE 59 2HE PHE 59 -1.861 -3.895 -2.567 475 HE2 PHE 59 1HE PHE 59 -3.806 -6.044 -5.693 476 HZ PHE 59 HZ PHE 59 -3.929 -4.713 -3.625 477 H ILE 60 H ILE 60 3.764 -5.153 -5.487 478 HA ILE 60 HA ILE 60 4.952 -6.861 -7.436 479 HB ILE 60 HB ILE 60 6.130 -4.468 -6.018 480 HG12 ILE 60 1HG1 ILE 60 4.866 -4.637 -8.760 481 HG13 ILE 60 2HG1 ILE 60 4.028 -4.054 -7.326 482 HG21 ILE 60 1HG2 ILE 60 7.706 -4.388 -7.886 483 HG22 ILE 60 2HG2 ILE 60 7.844 -5.901 -6.991 484 HG23 ILE 60 3HG2 ILE 60 7.005 -5.868 -8.542 485 HD11 ILE 60 3HD1 ILE 60 4.717 -2.052 -8.040 486 HD12 ILE 60 1HD1 ILE 60 6.244 -2.507 -7.286 487 HD13 ILE 60 2HD1 ILE 60 6.016 -2.733 -9.020 488 H LYS 61 H LYS 61 5.862 -5.944 -4.120 489 HA LYS 61 HA LYS 61 8.213 -7.178 -3.725 490 HB2 LYS 61 1HB LYS 61 6.808 -6.030 -1.983 491 HB3 LYS 61 2HB LYS 61 5.900 -7.527 -1.814 492 HG2 LYS 61 1HG LYS 61 7.966 -8.683 -1.154 493 HG3 LYS 61 2HG LYS 61 8.838 -7.153 -1.270 494 HD2 LYS 61 1HD LYS 61 7.520 -6.203 0.498 495 HD3 LYS 61 2HD LYS 61 6.462 -7.616 0.531 496 HE2 LYS 61 1HE LYS 61 8.392 -9.001 1.205 497 HE3 LYS 61 2HE LYS 61 9.394 -7.550 1.244 498 HZ1 LYS 61 3HZ LYS 61 7.008 -8.068 2.937 499 HZ2 LYS 61 1HZ LYS 61 7.929 -6.648 2.956 500 HZ3 LYS 61 2HZ LYS 61 8.620 -8.111 3.448 501 H LEU 62 H LEU 62 5.078 -8.832 -3.799 502 HA LEU 62 HA LEU 62 5.628 -11.356 -3.066 503 HB2 LEU 62 1HB LEU 62 4.127 -10.537 -5.548 504 HB3 LEU 62 2HB LEU 62 4.062 -12.140 -4.820 505 HG LEU 62 HG LEU 62 3.280 -9.727 -3.229 506 HD11 LEU 62 1HD1 LEU 62 2.093 -10.165 -5.618 507 HD12 LEU 62 2HD1 LEU 62 1.279 -9.472 -4.216 508 HD13 LEU 62 3HD1 LEU 62 1.115 -11.192 -4.569 509 HD21 LEU 62 3HD2 LEU 62 3.160 -11.430 -1.763 510 HD22 LEU 62 1HD2 LEU 62 3.066 -12.654 -3.031 511 HD23 LEU 62 2HD2 LEU 62 1.621 -11.757 -2.562 512 H THR 63 H THR 63 6.333 -10.064 -6.308 513 HA THR 63 HA THR 63 7.367 -12.180 -7.613 514 HB THR 63 HB THR 63 7.323 -9.793 -8.434 515 HG1 THR 63 1HG THR 63 9.871 -10.794 -9.012 516 HG21 THR 63 3HG2 THR 63 8.694 -8.988 -6.423 517 HG22 THR 63 1HG2 THR 63 9.102 -8.321 -8.003 518 HG23 THR 63 2HG2 THR 63 10.099 -9.594 -7.299 519 H LYS 64 H LYS 64 9.274 -13.332 -7.722 520 HA LYS 64 HA LYS 64 10.571 -14.145 -5.508 521 HB2 LYS 64 1HB LYS 64 11.410 -13.971 -8.361 522 HB3 LYS 64 2HB LYS 64 12.637 -14.390 -7.173 523 HG2 LYS 64 1HG LYS 64 11.317 -16.288 -6.440 524 HG3 LYS 64 2HG LYS 64 10.034 -15.852 -7.572 525 HD2 LYS 64 1HD LYS 64 11.262 -17.571 -8.626 526 HD3 LYS 64 2HD LYS 64 11.774 -16.072 -9.406 527 HE2 LYS 64 1HE LYS 64 13.708 -16.038 -7.780 528 HE3 LYS 64 2HE LYS 64 13.245 -17.678 -7.328 529 HZ1 LYS 64 3HZ LYS 64 13.435 -18.199 -9.782 530 HZ2 LYS 64 1HZ LYS 64 14.885 -17.917 -8.958 531 HZ3 LYS 64 2HZ LYS 64 14.227 -16.713 -9.946 532 H ALA 65 H ALA 65 12.113 -13.452 -4.137 533 HA ALA 65 HA ALA 65 12.923 -10.688 -4.288 534 HB1 ALA 65 3HB ALA 65 14.111 -12.417 -2.216 535 HB2 ALA 65 1HB ALA 65 13.338 -10.837 -2.076 536 HB3 ALA 65 2HB ALA 65 12.352 -12.294 -2.207 537 H GLY 66 H GLY 66 14.937 -9.882 -4.684 538 HA2 GLY 66 1HA GLY 66 17.393 -10.447 -4.624 539 HA3 GLY 66 2HA GLY 66 16.951 -11.841 -5.598 540 H ILE 67 H ILE 67 15.763 -8.517 -5.866 541 HA ILE 67 HA ILE 67 16.994 -8.392 -8.542 542 HB ILE 67 HB ILE 67 14.358 -7.180 -7.701 543 HG12 ILE 67 1HG1 ILE 67 14.768 -9.350 -9.748 544 HG13 ILE 67 2HG1 ILE 67 14.521 -9.729 -8.047 545 HG21 ILE 67 1HG2 ILE 67 15.530 -7.310 -10.468 546 HG22 ILE 67 2HG2 ILE 67 14.121 -6.401 -9.923 547 HG23 ILE 67 3HG2 ILE 67 15.736 -5.921 -9.400 548 HD11 ILE 67 3HD1 ILE 67 12.601 -9.061 -10.068 549 HD12 ILE 67 1HD1 ILE 67 12.347 -9.672 -8.433 550 HD13 ILE 67 2HD1 ILE 67 12.490 -7.937 -8.713 551 HA PRO 68 HA PRO 68 19.032 -4.760 -7.075 552 HB2 PRO 68 1HB PRO 68 19.780 -3.752 -9.482 553 HB3 PRO 68 2HB PRO 68 20.570 -5.147 -8.738 554 HG2 PRO 68 1HG PRO 68 18.473 -5.075 -10.873 555 HG3 PRO 68 2HG PRO 68 19.930 -6.080 -10.769 556 HD2 PRO 68 1HD PRO 68 17.470 -7.009 -10.124 557 HD3 PRO 68 2HD PRO 68 18.946 -7.576 -9.318 558 H VAL 69 H VAL 69 18.006 -3.023 -6.326 559 HA VAL 69 HA VAL 69 16.025 -1.689 -8.047 560 HB VAL 69 HB VAL 69 16.303 -1.602 -5.039 561 HG11 VAL 69 1HG1 VAL 69 15.455 0.499 -6.078 562 HG12 VAL 69 2HG1 VAL 69 14.120 -0.433 -6.757 563 HG13 VAL 69 3HG1 VAL 69 14.298 -0.291 -5.008 564 HG21 VAL 69 3HG2 VAL 69 13.899 -2.684 -6.400 565 HG22 VAL 69 1HG2 VAL 69 15.354 -3.680 -6.398 566 HG23 VAL 69 2HG2 VAL 69 14.644 -3.153 -4.872 567 H SER 70 H SER 70 16.216 0.435 -8.541 568 HA SER 70 HA SER 70 18.376 1.971 -7.275 569 HB2 SER 70 1HB SER 70 17.951 1.498 -10.217 570 HB3 SER 70 2HB SER 70 18.786 2.939 -9.639 571 HG SER 70 HG SER 70 19.544 0.237 -9.426 572 H GLY 71 H GLY 71 15.545 2.094 -9.422 573 HA2 GLY 71 1HA GLY 71 13.690 3.530 -8.650 574 HA3 GLY 71 2HA GLY 71 14.908 4.728 -8.240 575 HA PRO 72 HA PRO 72 14.536 4.536 -13.084 576 HB2 PRO 72 1HB PRO 72 12.240 3.422 -14.010 577 HB3 PRO 72 2HB PRO 72 13.723 2.495 -13.758 578 HG2 PRO 72 1HG PRO 72 11.312 2.727 -11.999 579 HG3 PRO 72 2HG PRO 72 12.257 1.286 -12.418 580 HD2 PRO 72 1HD PRO 72 12.559 2.593 -10.065 581 HD3 PRO 72 2HD PRO 72 13.902 1.762 -10.876 582 H SER 73 H SER 73 13.567 6.129 -14.350 583 HA SER 73 HA SER 73 12.508 8.129 -14.647 584 HB2 SER 73 1HB SER 73 10.709 6.318 -15.066 585 HB3 SER 73 2HB SER 73 10.048 6.818 -13.509 586 HG SER 73 HG SER 73 9.258 8.521 -14.437 587 H SER 74 H SER 74 13.894 8.025 -12.241 588 HA SER 74 HA SER 74 12.528 8.653 -9.923 589 HB2 SER 74 1HB SER 74 14.578 9.781 -9.185 590 HB3 SER 74 2HB SER 74 14.962 8.275 -10.017 591 HG SER 74 HG SER 74 14.878 10.691 -11.451 592 H GLY 75 H GLY 75 13.381 10.737 -12.637 593 HA2 GLY 75 1HA GLY 75 12.800 12.904 -13.143 594 HA3 GLY 75 2HA GLY 75 11.268 12.488 -12.389 Start of MODEL 10 1 H1 GLY 1 H GLY 1 18.698 -1.704 -1.414 2 HA2 GLY 1 1HA GLY 1 16.959 -0.494 -2.961 3 HA3 GLY 1 2HA GLY 1 16.699 -0.479 -1.223 4 H SER 2 H SER 2 16.429 1.440 -0.304 5 HA SER 2 HA SER 2 17.539 3.807 -1.663 6 HB2 SER 2 1HB SER 2 14.878 3.687 -0.226 7 HB3 SER 2 2HB SER 2 15.544 5.066 -1.101 8 HG SER 2 HG SER 2 15.566 3.477 -2.951 9 H SER 3 H SER 3 17.847 5.682 -0.243 10 HA SER 3 HA SER 3 19.115 4.888 2.205 11 HB2 SER 3 1HB SER 3 19.769 7.236 2.393 12 HB3 SER 3 2HB SER 3 20.060 6.654 0.754 13 HG SER 3 HG SER 3 18.797 8.181 0.094 14 H GLY 4 H GLY 4 18.639 5.703 4.310 15 HA2 GLY 4 1HA GLY 4 16.416 7.254 4.991 16 HA3 GLY 4 2HA GLY 4 15.904 5.573 4.994 17 H SER 5 H SER 5 18.574 7.594 6.214 18 HA SER 5 HA SER 5 19.222 5.819 8.333 19 HB2 SER 5 1HB SER 5 20.646 7.714 7.235 20 HB3 SER 5 2HB SER 5 19.860 8.752 8.425 21 HG SER 5 HG SER 5 21.036 6.345 9.260 22 H SER 6 H SER 6 17.802 9.091 8.477 23 HA SER 6 HA SER 6 16.606 8.388 11.060 24 HB2 SER 6 1HB SER 6 16.896 11.102 9.750 25 HB3 SER 6 2HB SER 6 16.302 10.797 11.382 26 HG SER 6 HG SER 6 18.519 9.624 11.472 27 H GLY 7 H GLY 7 14.401 8.806 11.498 28 HA2 GLY 7 1HA GLY 7 12.203 9.481 10.840 29 HA3 GLY 7 2HA GLY 7 12.696 9.326 9.160 30 H ASN 8 H ASN 8 11.979 7.476 12.088 31 HA ASN 8 HA ASN 8 11.459 5.115 10.418 32 HB2 ASN 8 1HB ASN 8 11.484 3.863 12.577 33 HB3 ASN 8 2HB ASN 8 13.005 4.676 12.222 34 HD21 ASN 8 1HD2 ASN 8 11.232 3.878 14.689 35 HD22 ASN 8 2HD2 ASN 8 11.417 5.251 15.722 36 H GLN 9 H GLN 9 9.440 6.035 9.674 37 HA GLN 9 HA GLN 9 7.294 5.780 11.677 38 HB2 GLN 9 1HB GLN 9 7.460 7.662 9.320 39 HB3 GLN 9 2HB GLN 9 6.006 7.409 10.277 40 HG2 GLN 9 1HG GLN 9 7.172 8.221 12.264 41 HG3 GLN 9 2HG GLN 9 8.626 8.479 11.301 42 HE21 GLN 9 1HE2 GLN 9 8.859 10.342 10.236 43 HE22 GLN 9 2HE2 GLN 9 7.656 11.576 10.121 44 H LEU 10 H LEU 10 7.204 3.526 11.088 45 HA LEU 10 HA LEU 10 6.291 2.914 8.387 46 HB2 LEU 10 1HB LEU 10 7.233 1.307 10.718 47 HB3 LEU 10 2HB LEU 10 6.254 0.532 9.475 48 HG LEU 10 HG LEU 10 7.987 1.343 7.806 49 HD11 LEU 10 1HD1 LEU 10 10.187 1.399 9.572 50 HD12 LEU 10 2HD1 LEU 10 9.010 2.569 10.165 51 HD13 LEU 10 3HD1 LEU 10 9.605 2.681 8.509 52 HD21 LEU 10 3HD2 LEU 10 8.081 -0.922 8.153 53 HD22 LEU 10 1HD2 LEU 10 8.392 -0.756 9.881 54 HD23 LEU 10 2HD2 LEU 10 9.681 -0.440 8.720 55 H TRP 11 H TRP 11 4.352 1.710 7.999 56 HA TRP 11 HA TRP 11 2.066 2.747 9.141 57 HB2 TRP 11 1HB TRP 11 2.528 0.147 7.682 58 HB3 TRP 11 2HB TRP 11 0.923 0.680 8.176 59 HD1 TRP 11 HD TRP 11 3.777 2.706 6.487 60 HE1 TRP 11 1HE TRP 11 2.815 3.799 4.364 61 HE3 TRP 11 3HE TRP 11 -0.951 0.766 6.645 62 HZ2 TRP 11 2HZ TRP 11 0.375 3.834 2.945 63 HZ3 TRP 11 3HZ TRP 11 -2.537 1.379 4.867 64 HH2 TRP 11 HH TRP 11 -1.886 2.882 3.057 65 H THR 12 H THR 12 0.311 1.334 10.215 66 HA THR 12 HA THR 12 1.541 -0.144 12.451 67 HB THR 12 HB THR 12 0.630 1.990 13.222 68 HG1 THR 12 1HG THR 12 -0.488 -0.452 14.000 69 HG21 THR 12 3HG2 THR 12 -1.164 1.954 11.334 70 HG22 THR 12 1HG2 THR 12 -1.549 2.707 12.881 71 HG23 THR 12 2HG2 THR 12 -2.135 1.083 12.520 72 H VAL 13 H VAL 13 0.647 -2.066 13.057 73 HA VAL 13 HA VAL 13 -0.519 -3.780 11.364 74 HB VAL 13 HB VAL 13 0.193 -4.468 13.587 75 HG11 VAL 13 1HG1 VAL 13 -2.338 -3.593 14.857 76 HG12 VAL 13 2HG1 VAL 13 -0.726 -3.782 15.550 77 HG13 VAL 13 3HG1 VAL 13 -1.106 -2.364 14.572 78 HG21 VAL 13 3HG2 VAL 13 -1.234 -6.009 12.443 79 HG22 VAL 13 1HG2 VAL 13 -1.720 -5.982 14.138 80 HG23 VAL 13 2HG2 VAL 13 -2.677 -5.121 12.933 81 H GLU 14 H GLU 14 -2.276 -1.440 13.354 82 HA GLU 14 HA GLU 14 -4.878 -2.258 12.762 83 HB2 GLU 14 1HB GLU 14 -3.627 0.292 13.661 84 HB3 GLU 14 2HB GLU 14 -5.286 0.352 13.081 85 HG2 GLU 14 1HG GLU 14 -4.471 -1.645 15.149 86 HG3 GLU 14 2HG GLU 14 -4.838 0.020 15.597 87 H GLU 15 H GLU 15 -2.756 0.019 11.067 88 HA GLU 15 HA GLU 15 -4.724 0.565 9.034 89 HB2 GLU 15 1HB GLU 15 -1.872 1.381 9.488 90 HB3 GLU 15 2HB GLU 15 -2.643 1.676 7.936 91 HG2 GLU 15 1HG GLU 15 -2.654 3.521 9.747 92 HG3 GLU 15 2HG GLU 15 -4.109 3.220 8.800 93 H GLN 16 H GLN 16 -1.548 -1.050 9.083 94 HA GLN 16 HA GLN 16 -1.216 -1.885 6.561 95 HB2 GLN 16 1HB GLN 16 -0.828 -3.420 9.118 96 HB3 GLN 16 2HB GLN 16 -0.391 -4.114 7.562 97 HG2 GLN 16 1HG GLN 16 1.170 -2.317 7.157 98 HG3 GLN 16 2HG GLN 16 0.680 -1.522 8.653 99 HE21 GLN 16 1HE2 GLN 16 3.289 -2.583 7.715 100 HE22 GLN 16 2HE2 GLN 16 3.815 -3.654 8.964 101 H LYS 17 H LYS 17 -3.264 -3.627 8.899 102 HA LYS 17 HA LYS 17 -4.252 -5.484 6.991 103 HB2 LYS 17 1HB LYS 17 -5.924 -6.037 8.737 104 HB3 LYS 17 2HB LYS 17 -4.273 -6.035 9.345 105 HG2 LYS 17 1HG LYS 17 -4.896 -3.535 9.957 106 HG3 LYS 17 2HG LYS 17 -6.527 -4.210 9.955 107 HD2 LYS 17 1HD LYS 17 -4.237 -5.433 11.482 108 HD3 LYS 17 2HD LYS 17 -5.331 -4.235 12.178 109 HE2 LYS 17 1HE LYS 17 -6.172 -6.882 10.999 110 HE3 LYS 17 2HE LYS 17 -5.974 -6.557 12.721 111 HZ1 LYS 17 3HZ LYS 17 -7.623 -4.570 11.880 112 HZ2 LYS 17 1HZ LYS 17 -8.110 -5.985 12.669 113 HZ3 LYS 17 2HZ LYS 17 -8.155 -5.900 10.981 114 H LYS 18 H LYS 18 -5.426 -2.401 8.232 115 HA LYS 18 HA LYS 18 -8.000 -2.431 7.166 116 HB2 LYS 18 1HB LYS 18 -6.782 -0.708 8.723 117 HB3 LYS 18 2HB LYS 18 -6.391 0.096 7.209 118 HG2 LYS 18 1HG LYS 18 -9.212 -0.653 7.879 119 HG3 LYS 18 2HG LYS 18 -8.487 0.839 8.483 120 HD2 LYS 18 1HD LYS 18 -8.115 1.644 6.271 121 HD3 LYS 18 2HD LYS 18 -8.535 0.080 5.567 122 HE2 LYS 18 1HE LYS 18 -10.332 1.783 5.366 123 HE3 LYS 18 2HE LYS 18 -10.826 0.329 6.233 124 HZ1 LYS 18 3HZ LYS 18 -10.520 1.496 8.316 125 HZ2 LYS 18 1HZ LYS 18 -11.598 2.348 7.328 126 HZ3 LYS 18 2HZ LYS 18 -10.004 2.886 7.501 127 H LEU 19 H LEU 19 -4.961 -1.311 5.713 128 HA LEU 19 HA LEU 19 -5.970 -0.314 3.325 129 HB2 LEU 19 1HB LEU 19 -3.711 0.104 3.839 130 HB3 LEU 19 2HB LEU 19 -3.353 -1.612 4.020 131 HG LEU 19 HG LEU 19 -3.588 -1.911 1.599 132 HD11 LEU 19 1HD1 LEU 19 -5.185 -0.202 1.074 133 HD12 LEU 19 2HD1 LEU 19 -3.708 0.109 0.162 134 HD13 LEU 19 3HD1 LEU 19 -4.073 1.063 1.600 135 HD21 LEU 19 3HD2 LEU 19 -1.406 -1.526 1.529 136 HD22 LEU 19 1HD2 LEU 19 -1.536 -0.505 2.962 137 HD23 LEU 19 2HD2 LEU 19 -1.708 0.204 1.357 138 H GLU 20 H GLU 20 -4.779 -3.601 4.012 139 HA GLU 20 HA GLU 20 -5.055 -4.829 1.616 140 HB2 GLU 20 1HB GLU 20 -5.979 -5.968 4.260 141 HB3 GLU 20 2HB GLU 20 -5.595 -6.902 2.821 142 HG2 GLU 20 1HG GLU 20 -3.293 -6.289 2.951 143 HG3 GLU 20 2HG GLU 20 -3.621 -5.137 4.244 144 H GLN 21 H GLN 21 -7.701 -4.325 3.942 145 HA GLN 21 HA GLN 21 -9.721 -5.475 2.353 146 HB2 GLN 21 1HB GLN 21 -9.857 -3.420 4.562 147 HB3 GLN 21 2HB GLN 21 -11.277 -4.154 3.827 148 HG2 GLN 21 1HG GLN 21 -10.290 -6.390 4.492 149 HG3 GLN 21 2HG GLN 21 -9.145 -5.476 5.473 150 HE21 GLN 21 1HE2 GLN 21 -12.426 -6.504 5.104 151 HE22 GLN 21 2HE2 GLN 21 -12.982 -5.993 6.658 152 H LEU 22 H LEU 22 -8.635 -2.120 2.717 153 HA LEU 22 HA LEU 22 -10.562 -0.919 1.080 154 HB2 LEU 22 1HB LEU 22 -7.730 -0.145 1.732 155 HB3 LEU 22 2HB LEU 22 -8.805 0.873 0.777 156 HG LEU 22 HG LEU 22 -9.598 -0.016 3.526 157 HD11 LEU 22 1HD1 LEU 22 -7.431 0.931 3.881 158 HD12 LEU 22 2HD1 LEU 22 -8.637 2.125 4.358 159 HD13 LEU 22 3HD1 LEU 22 -7.794 2.291 2.818 160 HD21 LEU 22 3HD2 LEU 22 -11.258 1.036 2.038 161 HD22 LEU 22 1HD2 LEU 22 -10.219 2.455 1.911 162 HD23 LEU 22 2HD2 LEU 22 -10.918 2.012 3.468 163 H LEU 23 H LEU 23 -7.188 -1.725 0.233 164 HA LEU 23 HA LEU 23 -7.027 -1.141 -2.361 165 HB2 LEU 23 1HB LEU 23 -6.144 -3.628 -0.943 166 HB3 LEU 23 2HB LEU 23 -5.805 -3.392 -2.656 167 HG LEU 23 HG LEU 23 -4.887 -1.556 -0.445 168 HD11 LEU 23 1HD1 LEU 23 -3.861 -4.074 -1.333 169 HD12 LEU 23 2HD1 LEU 23 -3.250 -3.002 -0.074 170 HD13 LEU 23 3HD1 LEU 23 -2.722 -2.792 -1.743 171 HD21 LEU 23 3HD2 LEU 23 -4.825 -0.168 -2.239 172 HD22 LEU 23 1HD2 LEU 23 -4.734 -1.491 -3.402 173 HD23 LEU 23 2HD2 LEU 23 -3.294 -1.002 -2.509 174 H ILE 24 H ILE 24 -8.668 -4.042 -1.135 175 HA ILE 24 HA ILE 24 -9.478 -4.996 -3.675 176 HB ILE 24 HB ILE 24 -10.737 -5.535 -0.983 177 HG12 ILE 24 1HG1 ILE 24 -8.885 -7.426 -2.371 178 HG13 ILE 24 2HG1 ILE 24 -8.198 -6.062 -1.496 179 HG21 ILE 24 1HG2 ILE 24 -11.379 -7.701 -2.191 180 HG22 ILE 24 2HG2 ILE 24 -12.290 -6.242 -2.577 181 HG23 ILE 24 3HG2 ILE 24 -11.037 -6.815 -3.677 182 HD11 ILE 24 3HD1 ILE 24 -8.493 -8.332 -0.302 183 HD12 ILE 24 1HD1 ILE 24 -8.917 -6.846 0.548 184 HD13 ILE 24 2HD1 ILE 24 -10.183 -7.847 -0.164 185 H LYS 25 H LYS 25 -11.074 -2.992 -1.233 186 HA LYS 25 HA LYS 25 -13.589 -2.835 -2.480 187 HB2 LYS 25 1HB LYS 25 -13.315 -2.178 -0.171 188 HB3 LYS 25 2HB LYS 25 -12.185 -0.909 -0.622 189 HG2 LYS 25 1HG LYS 25 -14.190 -0.009 -2.023 190 HG3 LYS 25 2HG LYS 25 -15.149 -1.003 -0.924 191 HD2 LYS 25 1HD LYS 25 -13.832 0.174 0.949 192 HD3 LYS 25 2HD LYS 25 -13.392 1.347 -0.294 193 HE2 LYS 25 1HE LYS 25 -15.283 2.340 0.501 194 HE3 LYS 25 2HE LYS 25 -16.000 1.309 -0.736 195 HZ1 LYS 25 3HZ LYS 25 -16.533 1.325 1.999 196 HZ2 LYS 25 1HZ LYS 25 -15.779 -0.150 1.654 197 HZ3 LYS 25 2HZ LYS 25 -17.181 0.299 0.820 198 H TYR 26 H TYR 26 -10.658 -0.907 -2.837 199 HA TYR 26 HA TYR 26 -11.975 0.673 -4.935 200 HB2 TYR 26 1HB TYR 26 -9.545 1.163 -3.228 201 HB3 TYR 26 2HB TYR 26 -9.821 2.077 -4.706 202 HD1 TYR 26 1HD TYR 26 -12.009 3.381 -4.907 203 HD2 TYR 26 2HD TYR 26 -10.587 1.791 -1.226 204 HE1 TYR 26 1HE TYR 26 -13.469 4.934 -3.680 205 HE2 TYR 26 2HE TYR 26 -12.043 3.339 0.012 206 HH TYR 26 HH TYR 26 -14.310 4.597 -0.571 207 HA PRO 27 HA PRO 27 -9.556 -2.233 -7.485 208 HB2 PRO 27 1HB PRO 27 -11.166 -1.982 -9.656 209 HB3 PRO 27 2HB PRO 27 -11.530 -3.070 -8.311 210 HG2 PRO 27 1HG PRO 27 -12.604 -0.333 -8.877 211 HG3 PRO 27 2HG PRO 27 -13.466 -1.782 -8.325 212 HD2 PRO 27 1HD PRO 27 -12.737 0.210 -6.642 213 HD3 PRO 27 2HD PRO 27 -12.811 -1.489 -6.135 214 HA PRO 28 HA PRO 28 -7.210 0.596 -9.898 215 HB2 PRO 28 1HB PRO 28 -6.640 -0.852 -12.122 216 HB3 PRO 28 2HB PRO 28 -5.905 -1.179 -10.548 217 HG2 PRO 28 1HG PRO 28 -8.206 -2.549 -11.886 218 HG3 PRO 28 2HG PRO 28 -6.845 -3.258 -10.997 219 HD2 PRO 28 1HD PRO 28 -9.296 -2.931 -9.892 220 HD3 PRO 28 2HD PRO 28 -7.799 -2.826 -8.943 221 H GLU 29 H GLU 29 -8.244 2.345 -10.672 222 HA GLU 29 HA GLU 29 -10.204 2.027 -12.821 223 HB2 GLU 29 1HB GLU 29 -10.806 4.360 -12.357 224 HB3 GLU 29 2HB GLU 29 -10.889 3.373 -10.904 225 HG2 GLU 29 1HG GLU 29 -8.865 4.283 -10.066 226 HG3 GLU 29 2HG GLU 29 -8.518 5.082 -11.598 227 H GLU 30 H GLU 30 -10.149 4.129 -14.325 228 HA GLU 30 HA GLU 30 -8.294 3.864 -16.231 229 HB2 GLU 30 1HB GLU 30 -8.534 6.391 -16.640 230 HB3 GLU 30 2HB GLU 30 -9.992 5.410 -16.681 231 HG2 GLU 30 1HG GLU 30 -10.342 6.063 -14.266 232 HG3 GLU 30 2HG GLU 30 -9.057 7.247 -14.499 233 H VAL 31 H VAL 31 -7.883 5.982 -13.405 234 HA VAL 31 HA VAL 31 -5.004 6.114 -14.015 235 HB VAL 31 HB VAL 31 -6.289 7.969 -12.058 236 HG11 VAL 31 1HG1 VAL 31 -4.208 8.750 -12.071 237 HG12 VAL 31 2HG1 VAL 31 -3.766 7.697 -13.416 238 HG13 VAL 31 3HG1 VAL 31 -4.475 9.281 -13.732 239 HG21 VAL 31 3HG2 VAL 31 -6.409 9.474 -14.275 240 HG22 VAL 31 1HG2 VAL 31 -6.789 7.898 -14.969 241 HG23 VAL 31 2HG2 VAL 31 -7.779 8.549 -13.662 242 H GLU 32 H GLU 32 -3.500 5.901 -12.297 243 HA GLU 32 HA GLU 32 -4.494 4.207 -10.122 244 HB2 GLU 32 1HB GLU 32 -2.384 3.237 -10.002 245 HB3 GLU 32 2HB GLU 32 -2.566 3.548 -11.723 246 HG2 GLU 32 1HG GLU 32 -1.144 5.427 -9.860 247 HG3 GLU 32 2HG GLU 32 -0.333 4.122 -10.724 248 H SER 33 H SER 33 -3.192 7.318 -10.758 249 HA SER 33 HA SER 33 -2.156 7.809 -8.131 250 HB2 SER 33 1HB SER 33 -2.830 9.669 -10.420 251 HB3 SER 33 2HB SER 33 -2.084 10.198 -8.912 252 HG SER 33 HG SER 33 -0.548 8.320 -9.555 253 H ARG 34 H ARG 34 -5.261 7.858 -9.561 254 HA ARG 34 HA ARG 34 -6.394 9.684 -7.609 255 HB2 ARG 34 1HB ARG 34 -7.558 8.118 -9.906 256 HB3 ARG 34 2HB ARG 34 -8.565 9.012 -8.774 257 HG2 ARG 34 1HG ARG 34 -8.076 10.240 -10.864 258 HG3 ARG 34 2HG ARG 34 -7.547 11.084 -9.408 259 HD2 ARG 34 1HD ARG 34 -5.591 9.296 -10.735 260 HD3 ARG 34 2HD ARG 34 -5.994 10.802 -11.557 261 HE ARG 34 HE ARG 34 -4.288 10.541 -9.355 262 HH11 ARG 34 1HH1 ARG 34 -6.920 12.538 -10.453 263 HH12 ARG 34 2HH1 ARG 34 -6.393 13.939 -9.581 264 HH21 ARG 34 1HH2 ARG 34 -3.584 12.379 -8.202 265 HH22 ARG 34 2HH2 ARG 34 -4.494 13.848 -8.301 266 H ARG 35 H ARG 35 -6.621 6.239 -8.443 267 HA ARG 35 HA ARG 35 -8.486 5.361 -6.655 268 HB2 ARG 35 1HB ARG 35 -7.670 3.696 -8.042 269 HB3 ARG 35 2HB ARG 35 -5.991 4.127 -7.745 270 HG2 ARG 35 1HG ARG 35 -6.184 3.195 -5.471 271 HG3 ARG 35 2HG ARG 35 -7.837 2.700 -5.842 272 HD2 ARG 35 1HD ARG 35 -6.948 1.347 -7.727 273 HD3 ARG 35 2HD ARG 35 -5.316 1.765 -7.206 274 HE ARG 35 HE ARG 35 -6.453 0.703 -4.981 275 HH11 ARG 35 1HH1 ARG 35 -6.068 -0.387 -8.265 276 HH12 ARG 35 2HH1 ARG 35 -5.999 -2.065 -7.838 277 HH21 ARG 35 1HH2 ARG 35 -6.364 -1.503 -4.406 278 HH22 ARG 35 2HH2 ARG 35 -6.169 -2.699 -5.643 279 H TRP 36 H TRP 36 -5.087 6.081 -6.004 280 HA TRP 36 HA TRP 36 -5.035 5.161 -3.343 281 HB2 TRP 36 1HB TRP 36 -3.380 7.438 -4.435 282 HB3 TRP 36 2HB TRP 36 -2.965 6.330 -3.130 283 HD1 TRP 36 HD TRP 36 -1.737 6.935 -6.334 284 HE1 TRP 36 1HE TRP 36 -0.934 4.818 -7.559 285 HE3 TRP 36 3HE TRP 36 -4.096 3.404 -3.487 286 HZ2 TRP 36 2HZ TRP 36 -1.258 2.022 -7.347 287 HZ3 TRP 36 3HZ TRP 36 -3.798 1.031 -4.065 288 HH2 TRP 36 HH TRP 36 -2.409 0.357 -5.956 289 H GLN 37 H GLN 37 -5.909 8.267 -4.760 290 HA GLN 37 HA GLN 37 -6.036 9.806 -2.442 291 HB2 GLN 37 1HB GLN 37 -6.213 10.749 -4.700 292 HB3 GLN 37 2HB GLN 37 -7.782 9.982 -4.904 293 HG2 GLN 37 1HG GLN 37 -7.619 12.491 -4.247 294 HG3 GLN 37 2HG GLN 37 -8.843 11.456 -3.512 295 HE21 GLN 37 1HE2 GLN 37 -5.383 11.946 -2.898 296 HE22 GLN 37 2HE2 GLN 37 -5.559 12.324 -1.222 297 H LYS 38 H LYS 38 -8.540 7.805 -3.968 298 HA LYS 38 HA LYS 38 -10.589 8.398 -2.127 299 HB2 LYS 38 1HB LYS 38 -10.177 5.939 -3.838 300 HB3 LYS 38 2HB LYS 38 -11.667 6.337 -2.993 301 HG2 LYS 38 1HG LYS 38 -12.068 8.207 -4.366 302 HG3 LYS 38 2HG LYS 38 -10.428 8.175 -5.019 303 HD2 LYS 38 1HD LYS 38 -10.977 5.923 -5.998 304 HD3 LYS 38 2HD LYS 38 -12.653 6.206 -5.523 305 HE2 LYS 38 1HE LYS 38 -11.099 8.123 -7.243 306 HE3 LYS 38 2HE LYS 38 -12.038 6.790 -7.913 307 HZ1 LYS 38 3HZ LYS 38 -13.695 8.269 -7.912 308 HZ2 LYS 38 1HZ LYS 38 -12.933 9.298 -6.806 309 HZ3 LYS 38 2HZ LYS 38 -13.804 7.958 -6.253 310 H ILE 39 H ILE 39 -8.241 5.739 -2.261 311 HA ILE 39 HA ILE 39 -9.163 4.332 -0.017 312 HB ILE 39 HB ILE 39 -6.417 4.494 -1.250 313 HG12 ILE 39 1HG1 ILE 39 -8.231 2.106 -1.240 314 HG13 ILE 39 2HG1 ILE 39 -8.518 3.413 -2.383 315 HG21 ILE 39 1HG2 ILE 39 -6.257 3.929 1.146 316 HG22 ILE 39 2HG2 ILE 39 -7.355 2.576 0.879 317 HG23 ILE 39 3HG2 ILE 39 -5.773 2.594 0.100 318 HD11 ILE 39 3HD1 ILE 39 -5.871 2.022 -2.129 319 HD12 ILE 39 1HD1 ILE 39 -7.145 1.485 -3.223 320 HD13 ILE 39 2HD1 ILE 39 -6.426 3.083 -3.423 321 H ALA 40 H ALA 40 -6.471 6.659 -0.268 322 HA ALA 40 HA ALA 40 -5.644 6.743 2.338 323 HB1 ALA 40 3HB ALA 40 -4.507 7.975 0.604 324 HB2 ALA 40 1HB ALA 40 -5.889 9.055 0.419 325 HB3 ALA 40 2HB ALA 40 -4.948 9.075 1.910 326 H ASP 41 H ASP 41 -8.245 8.712 0.907 327 HA ASP 41 HA ASP 41 -8.997 10.224 3.052 328 HB2 ASP 41 1HB ASP 41 -10.003 10.054 0.654 329 HB3 ASP 41 2HB ASP 41 -11.112 8.897 1.385 330 H GLU 42 H GLU 42 -10.126 6.925 2.333 331 HA GLU 42 HA GLU 42 -11.827 6.600 4.504 332 HB2 GLU 42 1HB GLU 42 -10.260 4.727 2.787 333 HB3 GLU 42 2HB GLU 42 -11.020 4.093 4.239 334 HG2 GLU 42 1HG GLU 42 -12.624 5.717 2.321 335 HG3 GLU 42 2HG GLU 42 -12.275 4.026 1.966 336 H LEU 43 H LEU 43 -8.371 5.792 4.257 337 HA LEU 43 HA LEU 43 -8.059 4.809 6.860 338 HB2 LEU 43 1HB LEU 43 -6.100 6.136 4.999 339 HB3 LEU 43 2HB LEU 43 -5.639 5.393 6.529 340 HG LEU 43 HG LEU 43 -7.072 3.791 4.444 341 HD11 LEU 43 1HD1 LEU 43 -4.831 3.080 3.622 342 HD12 LEU 43 2HD1 LEU 43 -4.127 4.420 4.526 343 HD13 LEU 43 3HD1 LEU 43 -5.257 4.742 3.211 344 HD21 LEU 43 3HD2 LEU 43 -6.626 3.046 6.855 345 HD22 LEU 43 1HD2 LEU 43 -4.937 2.919 6.363 346 HD23 LEU 43 2HD2 LEU 43 -6.166 1.946 5.555 347 H GLY 44 H GLY 44 -7.155 8.032 5.607 348 HA2 GLY 44 1HA GLY 44 -7.575 10.084 6.686 349 HA3 GLY 44 2HA GLY 44 -7.956 9.205 8.160 350 H ASN 45 H ASN 45 -5.511 7.580 7.997 351 HA ASN 45 HA ASN 45 -3.736 9.506 9.246 352 HB2 ASN 45 1HB ASN 45 -2.609 7.675 10.185 353 HB3 ASN 45 2HB ASN 45 -4.287 7.145 10.133 354 HD21 ASN 45 1HD2 ASN 45 -1.325 6.045 9.758 355 HD22 ASN 45 2HD2 ASN 45 -1.559 4.857 8.526 356 H ARG 46 H ARG 46 -3.621 7.177 6.565 357 HA ARG 46 HA ARG 46 -1.037 8.180 5.709 358 HB2 ARG 46 1HB ARG 46 -2.857 5.984 4.755 359 HB3 ARG 46 2HB ARG 46 -1.480 6.506 3.793 360 HG2 ARG 46 1HG ARG 46 -1.217 5.626 6.652 361 HG3 ARG 46 2HG ARG 46 -1.119 4.508 5.291 362 HD2 ARG 46 1HD ARG 46 0.888 5.335 4.578 363 HD3 ARG 46 2HD ARG 46 0.567 6.951 5.206 364 HE ARG 46 HE ARG 46 0.820 5.454 7.446 365 HH11 ARG 46 1HH1 ARG 46 2.800 5.883 4.615 366 HH12 ARG 46 2HH1 ARG 46 4.289 5.598 5.454 367 HH21 ARG 46 1HH2 ARG 46 2.773 5.078 8.561 368 HH22 ARG 46 2HH2 ARG 46 4.273 5.139 7.698 369 H THR 47 H THR 47 -0.973 8.319 3.108 370 HA THR 47 HA THR 47 -3.190 10.008 2.193 371 HB THR 47 HB THR 47 -1.690 11.701 1.315 372 HG1 THR 47 1HG THR 47 0.311 9.966 2.328 373 HG21 THR 47 3HG2 THR 47 -2.503 11.905 3.656 374 HG22 THR 47 1HG2 THR 47 -0.966 12.722 3.379 375 HG23 THR 47 2HG2 THR 47 -1.001 11.164 4.206 376 H ALA 48 H ALA 48 -3.257 10.296 -0.131 377 HA ALA 48 HA ALA 48 -3.246 8.125 -1.671 378 HB1 ALA 48 3HB ALA 48 -4.056 10.091 -2.650 379 HB2 ALA 48 1HB ALA 48 -2.521 10.934 -2.440 380 HB3 ALA 48 2HB ALA 48 -2.665 9.648 -3.640 381 H LYS 49 H LYS 49 -0.407 10.289 -1.581 382 HA LYS 49 HA LYS 49 1.305 8.717 -3.094 383 HB2 LYS 49 1HB LYS 49 1.663 10.849 -1.053 384 HB3 LYS 49 2HB LYS 49 3.075 9.882 -1.456 385 HG2 LYS 49 1HG LYS 49 1.497 10.977 -3.709 386 HG3 LYS 49 2HG LYS 49 2.448 12.113 -2.751 387 HD2 LYS 49 1HD LYS 49 4.035 11.518 -4.274 388 HD3 LYS 49 2HD LYS 49 4.305 10.240 -3.086 389 HE2 LYS 49 1HE LYS 49 4.217 9.294 -5.312 390 HE3 LYS 49 2HE LYS 49 2.821 8.760 -4.377 391 HZ1 LYS 49 3HZ LYS 49 2.929 10.387 -6.757 392 HZ2 LYS 49 1HZ LYS 49 1.892 10.986 -5.563 393 HZ3 LYS 49 2HZ LYS 49 1.675 9.420 -6.163 394 H GLN 50 H GLN 50 1.572 9.024 0.448 395 HA GLN 50 HA GLN 50 3.247 7.002 1.026 396 HB2 GLN 50 1HB GLN 50 0.768 7.882 2.486 397 HB3 GLN 50 2HB GLN 50 1.824 6.637 3.138 398 HG2 GLN 50 1HG GLN 50 3.708 8.286 2.953 399 HG3 GLN 50 2HG GLN 50 2.496 9.510 2.576 400 HE21 GLN 50 1HE2 GLN 50 0.745 9.764 4.181 401 HE22 GLN 50 2HE2 GLN 50 1.148 9.605 5.854 402 H VAL 51 H VAL 51 -0.173 6.643 0.239 403 HA VAL 51 HA VAL 51 -0.319 3.857 0.758 404 HB VAL 51 HB VAL 51 -2.041 5.556 -1.052 405 HG11 VAL 51 1HG1 VAL 51 -3.364 3.785 -1.450 406 HG12 VAL 51 2HG1 VAL 51 -1.934 2.839 -1.032 407 HG13 VAL 51 3HG1 VAL 51 -3.174 3.149 0.184 408 HG21 VAL 51 3HG2 VAL 51 -3.506 4.961 1.186 409 HG22 VAL 51 1HG2 VAL 51 -1.892 5.223 1.846 410 HG23 VAL 51 2HG2 VAL 51 -2.668 6.484 0.888 411 H ALA 52 H ALA 52 0.260 5.751 -2.179 412 HA ALA 52 HA ALA 52 0.255 3.683 -4.041 413 HB1 ALA 52 3HB ALA 52 0.279 5.990 -4.735 414 HB2 ALA 52 1HB ALA 52 1.875 6.226 -4.022 415 HB3 ALA 52 2HB ALA 52 1.680 5.166 -5.419 416 H SER 53 H SER 53 2.875 4.879 -1.984 417 HA SER 53 HA SER 53 4.880 3.199 -3.100 418 HB2 SER 53 1HB SER 53 5.172 5.352 -1.697 419 HB3 SER 53 2HB SER 53 4.970 4.298 -0.298 420 HG SER 53 HG SER 53 7.182 4.744 -1.537 421 H GLN 54 H GLN 54 2.677 2.911 -0.364 422 HA GLN 54 HA GLN 54 3.805 0.560 0.730 423 HB2 GLN 54 1HB GLN 54 2.092 2.232 1.749 424 HB3 GLN 54 2HB GLN 54 0.888 1.226 0.954 425 HG2 GLN 54 1HG GLN 54 1.041 0.437 3.159 426 HG3 GLN 54 2HG GLN 54 1.901 -0.737 2.164 427 HE21 GLN 54 1HE2 GLN 54 2.234 -0.439 4.939 428 HE22 GLN 54 2HE2 GLN 54 3.854 0.081 5.234 429 H VAL 55 H VAL 55 1.546 1.146 -1.859 430 HA VAL 55 HA VAL 55 0.438 -1.437 -2.060 431 HB VAL 55 HB VAL 55 0.835 0.687 -4.168 432 HG11 VAL 55 1HG1 VAL 55 -0.637 -0.526 -5.596 433 HG12 VAL 55 2HG1 VAL 55 0.639 -1.636 -5.093 434 HG13 VAL 55 3HG1 VAL 55 -0.956 -1.728 -4.346 435 HG21 VAL 55 3HG2 VAL 55 -1.883 0.205 -3.478 436 HG22 VAL 55 1HG2 VAL 55 -0.962 0.439 -1.992 437 HG23 VAL 55 2HG2 VAL 55 -0.932 1.673 -3.251 438 H GLN 56 H GLN 56 3.208 0.062 -3.711 439 HA GLN 56 HA GLN 56 3.912 -2.000 -5.402 440 HB2 GLN 56 1HB GLN 56 5.897 -0.894 -5.721 441 HB3 GLN 56 2HB GLN 56 4.951 0.391 -4.982 442 HG2 GLN 56 1HG GLN 56 6.957 0.505 -3.849 443 HG3 GLN 56 2HG GLN 56 5.947 -0.449 -2.764 444 HE21 GLN 56 1HE2 GLN 56 8.547 -0.562 -5.096 445 HE22 GLN 56 2HE2 GLN 56 9.184 -2.090 -4.602 446 H LYS 57 H LYS 57 4.654 -1.600 -1.977 447 HA LYS 57 HA LYS 57 6.195 -4.063 -1.922 448 HB2 LYS 57 1HB LYS 57 5.632 -1.858 0.007 449 HB3 LYS 57 2HB LYS 57 6.091 -3.429 0.651 450 HG2 LYS 57 1HG LYS 57 8.084 -3.294 -0.947 451 HG3 LYS 57 2HG LYS 57 7.677 -1.583 -1.096 452 HD2 LYS 57 1HD LYS 57 7.657 -1.744 1.552 453 HD3 LYS 57 2HD LYS 57 8.748 -3.093 1.231 454 HE2 LYS 57 1HE LYS 57 10.176 -1.602 -0.099 455 HE3 LYS 57 2HE LYS 57 9.091 -0.258 0.256 456 HZ1 LYS 57 3HZ LYS 57 9.702 -0.261 2.489 457 HZ2 LYS 57 1HZ LYS 57 11.167 -0.505 1.678 458 HZ3 LYS 57 2HZ LYS 57 10.381 -1.808 2.415 459 H TYR 58 H TYR 58 3.212 -3.899 -2.463 460 HA TYR 58 HA TYR 58 2.376 -5.794 -0.366 461 HB2 TYR 58 1HB TYR 58 0.947 -3.507 -1.617 462 HB3 TYR 58 2HB TYR 58 0.001 -4.950 -1.272 463 HD1 TYR 58 1HD TYR 58 2.830 -3.534 0.683 464 HD2 TYR 58 2HD TYR 58 -1.354 -4.290 0.518 465 HE1 TYR 58 1HE TYR 58 2.616 -2.826 3.029 466 HE2 TYR 58 2HE TYR 58 -1.580 -3.583 2.863 467 HH TYR 58 HH TYR 58 0.978 -2.035 4.571 468 H PHE 59 H PHE 59 2.737 -5.144 -3.724 469 HA PHE 59 HA PHE 59 1.518 -7.753 -4.352 470 HB2 PHE 59 1HB PHE 59 1.565 -5.234 -6.023 471 HB3 PHE 59 2HB PHE 59 1.072 -6.808 -6.637 472 HD1 PHE 59 2HD PHE 59 0.342 -4.785 -3.583 473 HD2 PHE 59 1HD PHE 59 -1.191 -7.026 -6.861 474 HE1 PHE 59 2HE PHE 59 -1.950 -4.370 -2.790 475 HE2 PHE 59 1HE PHE 59 -3.486 -6.615 -6.073 476 HZ PHE 59 HZ PHE 59 -3.868 -5.286 -4.035 477 H ILE 60 H ILE 60 4.172 -5.543 -4.844 478 HA ILE 60 HA ILE 60 5.508 -7.359 -6.688 479 HB ILE 60 HB ILE 60 6.559 -4.767 -5.557 480 HG12 ILE 60 1HG1 ILE 60 5.234 -5.160 -8.241 481 HG13 ILE 60 2HG1 ILE 60 4.364 -4.584 -6.824 482 HG21 ILE 60 1HG2 ILE 60 7.815 -4.929 -7.838 483 HG22 ILE 60 2HG2 ILE 60 8.391 -5.843 -6.444 484 HG23 ILE 60 3HG2 ILE 60 7.447 -6.648 -7.697 485 HD11 ILE 60 3HD1 ILE 60 5.751 -2.631 -6.705 486 HD12 ILE 60 1HD1 ILE 60 6.773 -3.231 -8.011 487 HD13 ILE 60 2HD1 ILE 60 5.099 -2.781 -8.337 488 H LYS 61 H LYS 61 5.504 -6.520 -3.340 489 HA LYS 61 HA LYS 61 8.116 -7.601 -2.778 490 HB2 LYS 61 1HB LYS 61 7.103 -5.775 -1.430 491 HB3 LYS 61 2HB LYS 61 5.878 -6.905 -0.867 492 HG2 LYS 61 1HG LYS 61 7.609 -8.267 0.184 493 HG3 LYS 61 2HG LYS 61 8.843 -7.142 -0.389 494 HD2 LYS 61 1HD LYS 61 7.615 -5.338 0.881 495 HD3 LYS 61 2HD LYS 61 6.650 -6.624 1.609 496 HE2 LYS 61 1HE LYS 61 8.354 -6.254 3.159 497 HE3 LYS 61 2HE LYS 61 8.897 -7.672 2.264 498 HZ1 LYS 61 3HZ LYS 61 10.044 -5.824 0.811 499 HZ2 LYS 61 1HZ LYS 61 10.780 -6.428 2.210 500 HZ3 LYS 61 2HZ LYS 61 9.962 -4.949 2.257 501 H LEU 62 H LEU 62 4.759 -8.613 -2.189 502 HA LEU 62 HA LEU 62 5.419 -11.079 -0.976 503 HB2 LEU 62 1HB LEU 62 3.178 -11.463 -0.871 504 HB3 LEU 62 2HB LEU 62 3.176 -9.714 -1.090 505 HG LEU 62 HG LEU 62 1.521 -10.380 -2.546 506 HD11 LEU 62 1HD1 LEU 62 3.765 -9.338 -3.637 507 HD12 LEU 62 2HD1 LEU 62 2.261 -9.604 -4.519 508 HD13 LEU 62 3HD1 LEU 62 3.563 -10.789 -4.619 509 HD21 LEU 62 3HD2 LEU 62 2.558 -12.889 -2.245 510 HD22 LEU 62 1HD2 LEU 62 2.875 -12.560 -3.948 511 HD23 LEU 62 2HD2 LEU 62 1.229 -12.459 -3.323 512 H THR 63 H THR 63 5.927 -10.079 -4.076 513 HA THR 63 HA THR 63 5.129 -12.117 -5.750 514 HB THR 63 HB THR 63 6.326 -10.004 -6.430 515 HG1 THR 63 1HG THR 63 6.072 -12.133 -7.698 516 HG21 THR 63 3HG2 THR 63 8.218 -10.214 -4.860 517 HG22 THR 63 1HG2 THR 63 8.755 -10.034 -6.530 518 HG23 THR 63 2HG2 THR 63 8.788 -11.620 -5.759 519 H LYS 64 H LYS 64 6.736 -13.695 -6.836 520 HA LYS 64 HA LYS 64 8.277 -15.096 -4.752 521 HB2 LYS 64 1HB LYS 64 7.601 -17.210 -6.069 522 HB3 LYS 64 2HB LYS 64 6.412 -16.477 -5.001 523 HG2 LYS 64 1HG LYS 64 5.258 -15.490 -6.835 524 HG3 LYS 64 2HG LYS 64 6.541 -15.944 -7.958 525 HD2 LYS 64 1HD LYS 64 4.957 -17.967 -6.391 526 HD3 LYS 64 2HD LYS 64 4.458 -17.390 -7.983 527 HE2 LYS 64 1HE LYS 64 6.617 -18.140 -8.901 528 HE3 LYS 64 2HE LYS 64 7.059 -18.764 -7.313 529 HZ1 LYS 64 3HZ LYS 64 5.543 -20.012 -9.323 530 HZ2 LYS 64 1HZ LYS 64 4.562 -19.812 -7.960 531 HZ3 LYS 64 2HZ LYS 64 6.032 -20.638 -7.830 532 H ALA 65 H ALA 65 10.071 -13.850 -5.680 533 HA ALA 65 HA ALA 65 11.175 -15.226 -8.035 534 HB1 ALA 65 3HB ALA 65 10.905 -13.297 -9.145 535 HB2 ALA 65 1HB ALA 65 10.687 -12.361 -7.666 536 HB3 ALA 65 2HB ALA 65 12.312 -12.760 -8.227 537 H GLY 66 H GLY 66 13.649 -14.272 -8.179 538 HA2 GLY 66 1HA GLY 66 15.188 -15.625 -6.434 539 HA3 GLY 66 2HA GLY 66 15.720 -14.110 -7.150 540 H ILE 67 H ILE 67 13.490 -12.688 -5.714 541 HA ILE 67 HA ILE 67 14.724 -11.446 -3.713 542 HB ILE 67 HB ILE 67 11.861 -12.336 -3.839 543 HG12 ILE 67 1HG1 ILE 67 12.906 -9.521 -3.789 544 HG13 ILE 67 2HG1 ILE 67 12.987 -10.469 -5.270 545 HG21 ILE 67 1HG2 ILE 67 11.367 -10.914 -1.908 546 HG22 ILE 67 2HG2 ILE 67 12.424 -12.256 -1.472 547 HG23 ILE 67 3HG2 ILE 67 13.092 -10.637 -1.673 548 HD11 ILE 67 3HD1 ILE 67 10.562 -9.568 -3.760 549 HD12 ILE 67 1HD1 ILE 67 11.013 -9.231 -5.431 550 HD13 ILE 67 2HD1 ILE 67 10.494 -10.852 -4.968 551 HA PRO 68 HA PRO 68 15.906 -14.471 -0.708 552 HB2 PRO 68 1HB PRO 68 16.628 -12.742 1.256 553 HB3 PRO 68 2HB PRO 68 17.620 -13.035 -0.177 554 HG2 PRO 68 1HG PRO 68 15.731 -10.783 0.391 555 HG3 PRO 68 2HG PRO 68 17.347 -10.731 -0.338 556 HD2 PRO 68 1HD PRO 68 15.080 -10.612 -1.813 557 HD3 PRO 68 2HD PRO 68 16.570 -11.368 -2.412 558 H VAL 69 H VAL 69 15.037 -15.467 1.073 559 HA VAL 69 HA VAL 69 12.361 -14.736 1.800 560 HB VAL 69 HB VAL 69 12.995 -17.090 1.610 561 HG11 VAL 69 1HG1 VAL 69 14.719 -16.614 4.039 562 HG12 VAL 69 2HG1 VAL 69 14.459 -18.154 3.218 563 HG13 VAL 69 3HG1 VAL 69 15.319 -16.850 2.398 564 HG21 VAL 69 3HG2 VAL 69 11.162 -17.047 2.948 565 HG22 VAL 69 1HG2 VAL 69 12.314 -17.675 4.127 566 HG23 VAL 69 2HG2 VAL 69 11.905 -15.959 4.120 567 H SER 70 H SER 70 11.618 -13.834 3.655 568 HA SER 70 HA SER 70 13.645 -12.950 5.604 569 HB2 SER 70 1HB SER 70 11.067 -11.569 4.815 570 HB3 SER 70 2HB SER 70 12.201 -10.997 6.039 571 HG SER 70 HG SER 70 12.724 -9.938 4.183 572 H GLY 71 H GLY 71 12.534 -12.346 7.777 573 HA2 GLY 71 1HA GLY 71 10.489 -14.369 8.428 574 HA3 GLY 71 2HA GLY 71 11.939 -14.216 9.409 575 HA PRO 72 HA PRO 72 9.385 -10.160 10.106 576 HB2 PRO 72 1HB PRO 72 6.855 -10.148 9.120 577 HB3 PRO 72 2HB PRO 72 8.248 -9.568 8.199 578 HG2 PRO 72 1HG PRO 72 6.849 -12.210 8.055 579 HG3 PRO 72 2HG PRO 72 7.437 -11.183 6.735 580 HD2 PRO 72 1HD PRO 72 8.798 -13.356 7.607 581 HD3 PRO 72 2HD PRO 72 9.611 -11.913 6.967 582 H SER 73 H SER 73 9.232 -10.690 12.235 583 HA SER 73 HA SER 73 8.381 -11.464 14.202 584 HB2 SER 73 1HB SER 73 5.797 -11.089 12.670 585 HB3 SER 73 2HB SER 73 5.899 -11.341 14.412 586 HG SER 73 HG SER 73 5.992 -9.063 13.200 587 H SER 74 H SER 74 9.323 -13.482 12.552 588 HA SER 74 HA SER 74 7.368 -15.650 12.937 589 HB2 SER 74 1HB SER 74 9.572 -15.239 10.941 590 HB3 SER 74 2HB SER 74 9.025 -16.871 11.325 591 HG SER 74 HG SER 74 6.826 -15.719 10.929 592 H GLY 75 H GLY 75 10.866 -14.981 13.105 593 HA2 GLY 75 1HA GLY 75 11.234 -16.029 15.665 594 HA3 GLY 75 2HA GLY 75 11.523 -17.336 14.525 Start of MODEL 11 1 H1 GLY 1 H GLY 1 15.365 -3.894 -10.592 2 HA2 GLY 1 1HA GLY 1 15.236 -4.322 -8.224 3 HA3 GLY 1 2HA GLY 1 16.637 -3.291 -8.475 4 H SER 2 H SER 2 16.717 -1.945 -6.795 5 HA SER 2 HA SER 2 14.519 -0.106 -6.380 6 HB2 SER 2 1HB SER 2 15.443 -2.007 -4.220 7 HB3 SER 2 2HB SER 2 14.529 -0.536 -3.887 8 HG SER 2 HG SER 2 13.493 -2.810 -4.395 9 H SER 3 H SER 3 15.106 1.709 -5.020 10 HA SER 3 HA SER 3 17.897 2.398 -5.351 11 HB2 SER 3 1HB SER 3 15.499 3.960 -4.381 12 HB3 SER 3 2HB SER 3 17.128 4.633 -4.441 13 HG SER 3 HG SER 3 16.938 3.756 -6.770 14 H GLY 4 H GLY 4 15.619 2.576 -2.604 15 HA2 GLY 4 1HA GLY 4 16.252 1.424 -0.525 16 HA3 GLY 4 2HA GLY 4 17.901 1.949 -0.834 17 H SER 5 H SER 5 14.800 3.693 -0.936 18 HA SER 5 HA SER 5 15.954 5.627 0.964 19 HB2 SER 5 1HB SER 5 14.091 5.963 -1.369 20 HB3 SER 5 2HB SER 5 14.099 7.146 -0.061 21 HG SER 5 HG SER 5 16.352 6.356 -1.600 22 H SER 6 H SER 6 14.986 5.907 2.868 23 HA SER 6 HA SER 6 12.164 5.287 3.204 24 HB2 SER 6 1HB SER 6 13.220 3.132 3.651 25 HB3 SER 6 2HB SER 6 14.324 3.887 4.800 26 HG SER 6 HG SER 6 12.691 3.061 6.010 27 H GLY 7 H GLY 7 11.256 6.151 5.139 28 HA2 GLY 7 1HA GLY 7 12.983 7.840 6.784 29 HA3 GLY 7 2HA GLY 7 11.729 8.650 5.857 30 H ASN 8 H ASN 8 10.468 9.357 7.517 31 HA ASN 8 HA ASN 8 9.600 7.468 9.559 32 HB2 ASN 8 1HB ASN 8 8.760 10.354 9.314 33 HB3 ASN 8 2HB ASN 8 8.758 9.340 10.753 34 HD21 ASN 8 1HD2 ASN 8 10.331 11.769 9.224 35 HD22 ASN 8 2HD2 ASN 8 11.888 11.617 9.956 36 H GLN 9 H GLN 9 8.688 6.718 7.092 37 HA GLN 9 HA GLN 9 5.853 7.511 7.105 38 HB2 GLN 9 1HB GLN 9 5.783 6.710 4.771 39 HB3 GLN 9 2HB GLN 9 6.944 8.012 4.996 40 HG2 GLN 9 1HG GLN 9 8.197 6.610 3.730 41 HG3 GLN 9 2HG GLN 9 8.612 5.998 5.331 42 HE21 GLN 9 1HE2 GLN 9 8.645 3.881 5.416 43 HE22 GLN 9 2HE2 GLN 9 7.616 2.803 4.542 44 H LEU 10 H LEU 10 6.839 5.627 8.961 45 HA LEU 10 HA LEU 10 6.368 2.964 8.037 46 HB2 LEU 10 1HB LEU 10 6.793 4.248 10.699 47 HB3 LEU 10 2HB LEU 10 6.199 2.591 10.618 48 HG LEU 10 HG LEU 10 8.254 2.099 9.188 49 HD11 LEU 10 1HD1 LEU 10 8.712 4.551 8.795 50 HD12 LEU 10 2HD1 LEU 10 10.096 3.573 9.281 51 HD13 LEU 10 3HD1 LEU 10 9.298 4.617 10.457 52 HD21 LEU 10 3HD2 LEU 10 8.273 2.736 12.110 53 HD22 LEU 10 1HD2 LEU 10 9.740 2.171 11.311 54 HD23 LEU 10 2HD2 LEU 10 8.290 1.166 11.305 55 H TRP 11 H TRP 11 4.641 1.570 8.689 56 HA TRP 11 HA TRP 11 2.115 3.023 9.124 57 HB2 TRP 11 1HB TRP 11 2.703 0.480 7.609 58 HB3 TRP 11 2HB TRP 11 1.069 0.968 8.049 59 HD1 TRP 11 HD TRP 11 3.943 3.102 6.539 60 HE1 TRP 11 1HE TRP 11 3.047 4.230 4.406 61 HE3 TRP 11 3HE TRP 11 -0.738 1.049 6.438 62 HZ2 TRP 11 2HZ TRP 11 0.671 4.248 2.882 63 HZ3 TRP 11 3HZ TRP 11 -2.261 1.674 4.609 64 HH2 TRP 11 HH TRP 11 -1.569 3.241 2.869 65 H THR 12 H THR 12 0.373 1.480 10.066 66 HA THR 12 HA THR 12 1.578 0.020 12.327 67 HB THR 12 HB THR 12 0.448 2.104 13.031 68 HG1 THR 12 1HG THR 12 0.442 0.380 14.492 69 HG21 THR 12 3HG2 THR 12 -2.217 0.933 12.429 70 HG22 THR 12 1HG2 THR 12 -1.341 1.700 11.105 71 HG23 THR 12 2HG2 THR 12 -1.727 2.623 12.557 72 H VAL 13 H VAL 13 0.403 -1.803 13.142 73 HA VAL 13 HA VAL 13 -0.380 -3.670 11.309 74 HB VAL 13 HB VAL 13 0.081 -4.296 13.595 75 HG11 VAL 13 1HG1 VAL 13 -2.549 -3.069 14.397 76 HG12 VAL 13 2HG1 VAL 13 -1.306 -3.754 15.445 77 HG13 VAL 13 3HG1 VAL 13 -1.001 -2.246 14.582 78 HG21 VAL 13 3HG2 VAL 13 -1.206 -5.912 12.444 79 HG22 VAL 13 1HG2 VAL 13 -1.946 -5.746 14.037 80 HG23 VAL 13 2HG2 VAL 13 -2.689 -4.976 12.635 81 H GLU 14 H GLU 14 -2.541 -1.530 13.160 82 HA GLU 14 HA GLU 14 -4.978 -2.417 12.227 83 HB2 GLU 14 1HB GLU 14 -3.975 0.232 13.172 84 HB3 GLU 14 2HB GLU 14 -5.577 0.149 12.455 85 HG2 GLU 14 1HG GLU 14 -4.612 -1.413 14.838 86 HG3 GLU 14 2HG GLU 14 -5.702 -0.029 14.864 87 H GLU 15 H GLU 15 -2.845 0.019 10.765 88 HA GLU 15 HA GLU 15 -4.540 0.556 8.555 89 HB2 GLU 15 1HB GLU 15 -1.604 1.038 9.043 90 HB3 GLU 15 2HB GLU 15 -2.404 1.518 7.553 91 HG2 GLU 15 1HG GLU 15 -3.680 3.136 8.603 92 HG3 GLU 15 2HG GLU 15 -3.488 2.399 10.192 93 H GLN 16 H GLN 16 -1.607 -1.432 8.886 94 HA GLN 16 HA GLN 16 -1.246 -2.342 6.356 95 HB2 GLN 16 1HB GLN 16 -1.004 -3.778 8.987 96 HB3 GLN 16 2HB GLN 16 -0.598 -4.577 7.474 97 HG2 GLN 16 1HG GLN 16 1.073 -2.873 7.005 98 HG3 GLN 16 2HG GLN 16 0.652 -2.038 8.499 99 HE21 GLN 16 1HE2 GLN 16 3.219 -3.042 7.762 100 HE22 GLN 16 2HE2 GLN 16 3.659 -4.235 8.931 101 H LYS 17 H LYS 17 -3.537 -3.698 8.712 102 HA LYS 17 HA LYS 17 -4.610 -5.581 6.831 103 HB2 LYS 17 1HB LYS 17 -6.245 -6.080 8.588 104 HB3 LYS 17 2HB LYS 17 -4.607 -6.070 9.226 105 HG2 LYS 17 1HG LYS 17 -4.934 -3.962 10.267 106 HG3 LYS 17 2HG LYS 17 -6.469 -3.719 9.430 107 HD2 LYS 17 1HD LYS 17 -7.017 -4.372 11.637 108 HD3 LYS 17 2HD LYS 17 -7.299 -5.789 10.623 109 HE2 LYS 17 1HE LYS 17 -6.141 -6.750 12.346 110 HE3 LYS 17 2HE LYS 17 -4.807 -6.334 11.271 111 HZ1 LYS 17 3HZ LYS 17 -5.722 -4.772 13.625 112 HZ2 LYS 17 1HZ LYS 17 -4.503 -4.282 12.558 113 HZ3 LYS 17 2HZ LYS 17 -4.291 -5.667 13.506 114 H LYS 18 H LYS 18 -5.478 -2.386 7.994 115 HA LYS 18 HA LYS 18 -8.090 -2.277 6.946 116 HB2 LYS 18 1HB LYS 18 -6.997 -0.684 8.609 117 HB3 LYS 18 2HB LYS 18 -6.236 0.085 7.223 118 HG2 LYS 18 1HG LYS 18 -8.193 0.989 6.470 119 HG3 LYS 18 2HG LYS 18 -9.185 -0.282 7.189 120 HD2 LYS 18 1HD LYS 18 -8.416 0.705 9.446 121 HD3 LYS 18 2HD LYS 18 -7.952 2.119 8.497 122 HE2 LYS 18 1HE LYS 18 -10.088 2.711 9.038 123 HE3 LYS 18 2HE LYS 18 -10.400 1.834 7.541 124 HZ1 LYS 18 3HZ LYS 18 -10.768 0.876 10.319 125 HZ2 LYS 18 1HZ LYS 18 -10.759 -0.173 8.991 126 HZ3 LYS 18 2HZ LYS 18 -11.938 1.035 9.107 127 H LEU 19 H LEU 19 -5.205 -0.613 5.662 128 HA LEU 19 HA LEU 19 -6.159 0.195 3.250 129 HB2 LEU 19 1HB LEU 19 -4.006 0.883 3.703 130 HB3 LEU 19 2HB LEU 19 -3.469 -0.739 4.134 131 HG LEU 19 HG LEU 19 -3.618 -1.323 1.689 132 HD11 LEU 19 1HD1 LEU 19 -3.523 1.594 1.102 133 HD12 LEU 19 2HD1 LEU 19 -5.090 0.819 1.328 134 HD13 LEU 19 3HD1 LEU 19 -3.998 0.248 0.067 135 HD21 LEU 19 3HD2 LEU 19 -1.611 0.541 1.324 136 HD22 LEU 19 1HD2 LEU 19 -1.428 -1.072 2.012 137 HD23 LEU 19 2HD2 LEU 19 -1.662 0.317 3.073 138 H GLU 20 H GLU 20 -4.468 -2.910 3.747 139 HA GLU 20 HA GLU 20 -4.630 -4.070 1.333 140 HB2 GLU 20 1HB GLU 20 -5.145 -5.265 4.045 141 HB3 GLU 20 2HB GLU 20 -5.162 -6.258 2.594 142 HG2 GLU 20 1HG GLU 20 -2.880 -5.730 2.123 143 HG3 GLU 20 2HG GLU 20 -2.838 -4.541 3.424 144 H GLN 21 H GLN 21 -7.289 -4.270 3.704 145 HA GLN 21 HA GLN 21 -9.132 -5.511 2.003 146 HB2 GLN 21 1HB GLN 21 -9.351 -3.904 4.514 147 HB3 GLN 21 2HB GLN 21 -10.816 -4.294 3.623 148 HG2 GLN 21 1HG GLN 21 -8.882 -6.457 4.312 149 HG3 GLN 21 2HG GLN 21 -9.997 -5.847 5.534 150 HE21 GLN 21 1HE2 GLN 21 -10.781 -8.072 5.482 151 HE22 GLN 21 2HE2 GLN 21 -11.963 -8.511 4.301 152 H LEU 22 H LEU 22 -8.529 -2.082 2.650 153 HA LEU 22 HA LEU 22 -10.652 -1.021 1.172 154 HB2 LEU 22 1HB LEU 22 -7.947 0.026 1.922 155 HB3 LEU 22 2HB LEU 22 -9.043 0.977 0.922 156 HG LEU 22 HG LEU 22 -9.843 -0.055 3.630 157 HD11 LEU 22 1HD1 LEU 22 -8.907 1.704 4.713 158 HD12 LEU 22 2HD1 LEU 22 -8.979 2.758 3.302 159 HD13 LEU 22 3HD1 LEU 22 -7.719 1.531 3.421 160 HD21 LEU 22 3HD2 LEU 22 -10.844 2.166 1.853 161 HD22 LEU 22 1HD2 LEU 22 -11.419 1.846 3.489 162 HD23 LEU 22 2HD2 LEU 22 -11.665 0.648 2.218 163 H LEU 23 H LEU 23 -7.427 -2.041 0.185 164 HA LEU 23 HA LEU 23 -7.337 -1.000 -2.380 165 HB2 LEU 23 1HB LEU 23 -6.235 -3.548 -1.231 166 HB3 LEU 23 2HB LEU 23 -5.916 -3.048 -2.891 167 HG LEU 23 HG LEU 23 -5.184 -1.408 -0.469 168 HD11 LEU 23 1HD1 LEU 23 -4.036 -3.807 -1.214 169 HD12 LEU 23 2HD1 LEU 23 -3.292 -2.553 -0.222 170 HD13 LEU 23 3HD1 LEU 23 -2.996 -2.592 -1.960 171 HD21 LEU 23 3HD2 LEU 23 -4.330 -1.224 -3.357 172 HD22 LEU 23 1HD2 LEU 23 -3.788 -0.184 -2.039 173 HD23 LEU 23 2HD2 LEU 23 -5.475 -0.150 -2.553 174 H ILE 24 H ILE 24 -8.591 -4.172 -1.355 175 HA ILE 24 HA ILE 24 -9.535 -4.860 -3.957 176 HB ILE 24 HB ILE 24 -10.324 -6.030 -1.286 177 HG12 ILE 24 1HG1 ILE 24 -8.696 -7.872 -2.291 178 HG13 ILE 24 2HG1 ILE 24 -8.014 -6.479 -3.124 179 HG21 ILE 24 1HG2 ILE 24 -11.578 -6.390 -3.675 180 HG22 ILE 24 2HG2 ILE 24 -10.407 -7.708 -3.685 181 HG23 ILE 24 3HG2 ILE 24 -11.560 -7.564 -2.359 182 HD11 ILE 24 3HD1 ILE 24 -7.079 -5.664 -1.259 183 HD12 ILE 24 1HD1 ILE 24 -8.446 -6.124 -0.243 184 HD13 ILE 24 2HD1 ILE 24 -7.236 -7.327 -0.692 185 H LYS 25 H LYS 25 -11.083 -3.626 -1.016 186 HA LYS 25 HA LYS 25 -13.733 -3.699 -1.864 187 HB2 LYS 25 1HB LYS 25 -13.211 -3.231 0.434 188 HB3 LYS 25 2HB LYS 25 -12.320 -1.781 -0.008 189 HG2 LYS 25 1HG LYS 25 -14.637 -1.058 -1.014 190 HG3 LYS 25 2HG LYS 25 -15.253 -2.234 0.149 191 HD2 LYS 25 1HD LYS 25 -14.010 -1.060 1.936 192 HD3 LYS 25 2HD LYS 25 -13.503 0.150 0.755 193 HE2 LYS 25 1HE LYS 25 -15.341 1.171 1.693 194 HE3 LYS 25 2HE LYS 25 -16.065 0.364 0.303 195 HZ1 LYS 25 3HZ LYS 25 -16.595 -1.510 1.852 196 HZ2 LYS 25 1HZ LYS 25 -17.439 -0.074 2.156 197 HZ3 LYS 25 2HZ LYS 25 -16.130 -0.509 3.135 198 H TYR 26 H TYR 26 -11.192 -1.379 -2.543 199 HA TYR 26 HA TYR 26 -13.055 0.355 -3.974 200 HB2 TYR 26 1HB TYR 26 -10.235 0.625 -3.016 201 HB3 TYR 26 2HB TYR 26 -10.781 1.637 -4.348 202 HD1 TYR 26 2HD TYR 26 -11.587 0.695 -0.842 203 HD2 TYR 26 1HD TYR 26 -11.988 3.596 -3.928 204 HE1 TYR 26 2HE TYR 26 -12.594 2.258 0.767 205 HE2 TYR 26 1HE TYR 26 -12.995 5.168 -2.327 206 HH TYR 26 HH TYR 26 -12.784 5.372 0.432 207 HA PRO 27 HA PRO 27 -12.075 -1.752 -7.769 208 HB2 PRO 27 1HB PRO 27 -13.534 -0.125 -9.379 209 HB3 PRO 27 2HB PRO 27 -14.263 -1.372 -8.359 210 HG2 PRO 27 1HG PRO 27 -14.019 1.572 -7.870 211 HG3 PRO 27 2HG PRO 27 -15.405 0.501 -7.587 212 HD2 PRO 27 1HD PRO 27 -13.748 1.296 -5.599 213 HD3 PRO 27 2HD PRO 27 -14.549 -0.288 -5.598 214 HA PRO 28 HA PRO 28 -8.896 0.538 -9.764 215 HB2 PRO 28 1HB PRO 28 -9.283 -0.016 -12.394 216 HB3 PRO 28 2HB PRO 28 -8.668 -1.207 -11.242 217 HG2 PRO 28 1HG PRO 28 -11.447 -0.850 -12.295 218 HG3 PRO 28 2HG PRO 28 -10.528 -2.346 -12.048 219 HD2 PRO 28 1HD PRO 28 -12.415 -1.492 -10.305 220 HD3 PRO 28 2HD PRO 28 -10.979 -2.400 -9.789 221 H GLU 29 H GLU 29 -8.401 2.260 -11.336 222 HA GLU 29 HA GLU 29 -10.712 3.853 -12.171 223 HB2 GLU 29 1HB GLU 29 -9.894 5.863 -11.185 224 HB3 GLU 29 2HB GLU 29 -9.905 4.640 -9.922 225 HG2 GLU 29 1HG GLU 29 -7.642 6.039 -11.188 226 HG3 GLU 29 2HG GLU 29 -7.856 5.491 -9.527 227 H GLU 30 H GLU 30 -9.673 5.968 -13.303 228 HA GLU 30 HA GLU 30 -8.356 4.950 -15.613 229 HB2 GLU 30 1HB GLU 30 -9.977 6.818 -15.686 230 HB3 GLU 30 2HB GLU 30 -8.837 7.823 -14.802 231 HG2 GLU 30 1HG GLU 30 -7.222 7.290 -16.747 232 HG3 GLU 30 2HG GLU 30 -8.686 6.826 -17.613 233 H VAL 31 H VAL 31 -7.346 7.128 -12.992 234 HA VAL 31 HA VAL 31 -4.549 6.670 -13.807 235 HB VAL 31 HB VAL 31 -5.586 9.050 -12.266 236 HG11 VAL 31 1HG1 VAL 31 -3.462 9.696 -12.040 237 HG12 VAL 31 2HG1 VAL 31 -3.025 8.048 -12.497 238 HG13 VAL 31 3HG1 VAL 31 -3.084 9.318 -13.720 239 HG21 VAL 31 3HG2 VAL 31 -5.547 8.492 -15.136 240 HG22 VAL 31 1HG2 VAL 31 -6.433 9.718 -14.230 241 HG23 VAL 31 2HG2 VAL 31 -4.756 10.004 -14.693 242 H GLU 32 H GLU 32 -3.478 5.390 -12.466 243 HA GLU 32 HA GLU 32 -4.202 4.167 -10.224 244 HB2 GLU 32 1HB GLU 32 -1.862 4.319 -11.468 245 HB3 GLU 32 2HB GLU 32 -1.471 5.357 -10.104 246 HG2 GLU 32 1HG GLU 32 -2.247 3.488 -8.607 247 HG3 GLU 32 2HG GLU 32 -2.300 2.472 -10.047 248 H SER 33 H SER 33 -2.338 7.199 -9.968 249 HA SER 33 HA SER 33 -2.443 7.742 -7.354 250 HB2 SER 33 1HB SER 33 -2.119 9.985 -7.848 251 HB3 SER 33 2HB SER 33 -1.710 9.237 -9.392 252 HG SER 33 HG SER 33 -3.745 10.933 -8.770 253 H ARG 34 H ARG 34 -5.090 8.692 -9.551 254 HA ARG 34 HA ARG 34 -6.893 9.762 -7.862 255 HB2 ARG 34 1HB ARG 34 -7.578 7.688 -9.953 256 HB3 ARG 34 2HB ARG 34 -8.675 8.890 -9.288 257 HG2 ARG 34 1HG ARG 34 -6.176 9.856 -10.559 258 HG3 ARG 34 2HG ARG 34 -7.452 9.230 -11.604 259 HD2 ARG 34 1HD ARG 34 -9.027 10.778 -10.342 260 HD3 ARG 34 2HD ARG 34 -7.579 11.533 -9.677 261 HE ARG 34 HE ARG 34 -7.241 11.492 -12.417 262 HH11 ARG 34 1HH1 ARG 34 -9.493 12.863 -10.143 263 HH12 ARG 34 2HH1 ARG 34 -9.867 14.230 -11.139 264 HH21 ARG 34 1HH2 ARG 34 -7.725 13.287 -13.737 265 HH22 ARG 34 2HH2 ARG 34 -8.861 14.470 -13.184 266 H ARG 35 H ARG 35 -6.542 6.258 -8.402 267 HA ARG 35 HA ARG 35 -8.480 5.352 -6.656 268 HB2 ARG 35 1HB ARG 35 -7.300 3.856 -8.163 269 HB3 ARG 35 2HB ARG 35 -5.794 4.122 -7.294 270 HG2 ARG 35 1HG ARG 35 -6.595 2.960 -5.383 271 HG3 ARG 35 2HG ARG 35 -8.234 2.899 -6.035 272 HD2 ARG 35 1HD ARG 35 -7.544 1.408 -7.785 273 HD3 ARG 35 2HD ARG 35 -5.851 1.585 -7.327 274 HE ARG 35 HE ARG 35 -7.165 0.625 -5.094 275 HH11 ARG 35 1HH1 ARG 35 -6.574 -0.422 -8.362 276 HH12 ARG 35 2HH1 ARG 35 -6.602 -2.108 -7.965 277 HH21 ARG 35 1HH2 ARG 35 -7.204 -1.592 -4.559 278 HH22 ARG 35 2HH2 ARG 35 -6.961 -2.773 -5.802 279 H TRP 36 H TRP 36 -5.002 5.405 -5.863 280 HA TRP 36 HA TRP 36 -5.136 4.927 -3.187 281 HB2 TRP 36 1HB TRP 36 -3.269 7.042 -4.230 282 HB3 TRP 36 2HB TRP 36 -2.977 5.831 -2.986 283 HD1 TRP 36 HD TRP 36 -1.504 6.468 -6.019 284 HE1 TRP 36 1HE TRP 36 -0.924 4.374 -7.398 285 HE3 TRP 36 3HE TRP 36 -4.548 3.089 -3.684 286 HZ2 TRP 36 2HZ TRP 36 -1.659 1.650 -7.485 287 HZ3 TRP 36 3HZ TRP 36 -4.550 0.759 -4.477 288 HH2 TRP 36 HH TRP 36 -3.135 0.057 -6.338 289 H GLN 37 H GLN 37 -5.442 8.102 -4.751 290 HA GLN 37 HA GLN 37 -5.620 9.736 -2.554 291 HB2 GLN 37 1HB GLN 37 -5.612 10.679 -4.758 292 HB3 GLN 37 2HB GLN 37 -7.121 9.874 -5.168 293 HG2 GLN 37 1HG GLN 37 -7.055 12.415 -4.519 294 HG3 GLN 37 2HG GLN 37 -8.398 11.379 -4.039 295 HE21 GLN 37 1HE2 GLN 37 -5.125 11.728 -2.736 296 HE22 GLN 37 2HE2 GLN 37 -5.618 12.149 -1.136 297 H LYS 38 H LYS 38 -8.050 7.570 -3.853 298 HA LYS 38 HA LYS 38 -10.177 8.548 -2.200 299 HB2 LYS 38 1HB LYS 38 -9.928 5.942 -3.714 300 HB3 LYS 38 2HB LYS 38 -11.406 6.569 -2.995 301 HG2 LYS 38 1HG LYS 38 -11.479 8.384 -4.527 302 HG3 LYS 38 2HG LYS 38 -9.858 8.023 -5.124 303 HD2 LYS 38 1HD LYS 38 -10.931 5.698 -5.700 304 HD3 LYS 38 2HD LYS 38 -12.438 6.615 -5.646 305 HE2 LYS 38 1HE LYS 38 -10.107 7.621 -7.232 306 HE3 LYS 38 2HE LYS 38 -11.161 6.373 -7.895 307 HZ1 LYS 38 3HZ LYS 38 -11.839 9.153 -7.165 308 HZ2 LYS 38 1HZ LYS 38 -13.039 7.969 -7.302 309 HZ3 LYS 38 2HZ LYS 38 -12.078 8.358 -8.639 310 H ILE 39 H ILE 39 -8.404 5.449 -2.223 311 HA ILE 39 HA ILE 39 -9.372 4.360 0.099 312 HB ILE 39 HB ILE 39 -6.595 4.189 -1.060 313 HG12 ILE 39 1HG1 ILE 39 -8.671 2.019 -0.975 314 HG13 ILE 39 2HG1 ILE 39 -8.729 3.260 -2.222 315 HG21 ILE 39 1HG2 ILE 39 -6.264 2.224 0.393 316 HG22 ILE 39 2HG2 ILE 39 -6.420 3.724 1.305 317 HG23 ILE 39 3HG2 ILE 39 -7.778 2.602 1.214 318 HD11 ILE 39 3HD1 ILE 39 -6.484 2.631 -2.944 319 HD12 ILE 39 1HD1 ILE 39 -6.437 1.382 -1.700 320 HD13 ILE 39 2HD1 ILE 39 -7.603 1.271 -3.020 321 H ALA 40 H ALA 40 -6.739 6.700 -0.248 322 HA ALA 40 HA ALA 40 -5.797 6.758 2.354 323 HB1 ALA 40 3HB ALA 40 -6.039 9.011 0.368 324 HB2 ALA 40 1HB ALA 40 -5.112 9.098 1.866 325 HB3 ALA 40 2HB ALA 40 -4.655 7.945 0.611 326 H ASP 41 H ASP 41 -8.330 8.834 0.941 327 HA ASP 41 HA ASP 41 -9.056 10.389 3.016 328 HB2 ASP 41 1HB ASP 41 -10.170 10.054 0.683 329 HB3 ASP 41 2HB ASP 41 -11.233 8.942 1.541 330 H GLU 42 H GLU 42 -10.117 7.024 2.577 331 HA GLU 42 HA GLU 42 -11.735 6.824 4.835 332 HB2 GLU 42 1HB GLU 42 -10.252 4.890 3.130 333 HB3 GLU 42 2HB GLU 42 -10.834 4.314 4.686 334 HG2 GLU 42 1HG GLU 42 -12.604 5.673 2.677 335 HG3 GLU 42 2HG GLU 42 -12.355 3.929 2.724 336 H LEU 43 H LEU 43 -8.303 5.925 4.494 337 HA LEU 43 HA LEU 43 -7.853 5.160 7.131 338 HB2 LEU 43 1HB LEU 43 -6.005 6.387 5.097 339 HB3 LEU 43 2HB LEU 43 -5.457 5.772 6.655 340 HG LEU 43 HG LEU 43 -6.893 4.045 4.654 341 HD11 LEU 43 1HD1 LEU 43 -3.913 4.145 4.978 342 HD12 LEU 43 2HD1 LEU 43 -4.752 5.124 3.775 343 HD13 LEU 43 3HD1 LEU 43 -4.864 3.365 3.714 344 HD21 LEU 43 3HD2 LEU 43 -5.989 3.694 7.323 345 HD22 LEU 43 1HD2 LEU 43 -4.997 2.688 6.267 346 HD23 LEU 43 2HD2 LEU 43 -6.752 2.516 6.253 347 H GLY 44 H GLY 44 -7.402 8.352 5.619 348 HA2 GLY 44 1HA GLY 44 -7.735 10.434 6.616 349 HA3 GLY 44 2HA GLY 44 -7.958 9.630 8.163 350 H ASN 45 H ASN 45 -5.463 8.115 7.937 351 HA ASN 45 HA ASN 45 -3.672 10.251 8.801 352 HB2 ASN 45 1HB ASN 45 -3.372 7.247 9.023 353 HB3 ASN 45 2HB ASN 45 -2.306 8.445 9.751 354 HD21 ASN 45 1HD2 ASN 45 -3.208 6.776 11.487 355 HD22 ASN 45 2HD2 ASN 45 -4.512 7.408 12.428 356 H ARG 46 H ARG 46 -3.789 7.572 6.492 357 HA ARG 46 HA ARG 46 -1.212 8.285 5.374 358 HB2 ARG 46 1HB ARG 46 -3.239 6.157 4.699 359 HB3 ARG 46 2HB ARG 46 -1.790 6.424 3.739 360 HG2 ARG 46 1HG ARG 46 -1.833 5.721 6.667 361 HG3 ARG 46 2HG ARG 46 -1.524 4.595 5.344 362 HD2 ARG 46 1HD ARG 46 0.615 5.144 6.021 363 HD3 ARG 46 2HD ARG 46 0.345 6.276 4.696 364 HE ARG 46 HE ARG 46 -0.450 7.472 7.112 365 HH11 ARG 46 1HH1 ARG 46 2.424 6.449 5.435 366 HH12 ARG 46 2HH1 ARG 46 3.442 7.633 6.188 367 HH21 ARG 46 1HH2 ARG 46 0.879 9.034 8.109 368 HH22 ARG 46 2HH2 ARG 46 2.562 9.102 7.710 369 H THR 47 H THR 47 -0.961 8.684 3.050 370 HA THR 47 HA THR 47 -3.266 10.120 1.904 371 HB THR 47 HB THR 47 -1.967 11.913 1.210 372 HG1 THR 47 1HG THR 47 0.508 10.752 1.846 373 HG21 THR 47 3HG2 THR 47 -1.178 12.821 3.153 374 HG22 THR 47 1HG2 THR 47 -0.284 11.368 3.599 375 HG23 THR 47 2HG2 THR 47 -2.033 11.432 3.824 376 H ALA 48 H ALA 48 -3.276 10.277 -0.434 377 HA ALA 48 HA ALA 48 -3.188 8.021 -1.847 378 HB1 ALA 48 3HB ALA 48 -3.671 10.517 -2.562 379 HB2 ALA 48 1HB ALA 48 -2.066 10.371 -3.280 380 HB3 ALA 48 2HB ALA 48 -3.351 9.261 -3.757 381 H LYS 49 H LYS 49 -0.371 10.174 -1.520 382 HA LYS 49 HA LYS 49 1.432 8.666 -3.020 383 HB2 LYS 49 1HB LYS 49 1.679 10.706 -0.861 384 HB3 LYS 49 2HB LYS 49 3.112 9.777 -1.280 385 HG2 LYS 49 1HG LYS 49 1.565 11.016 -3.489 386 HG3 LYS 49 2HG LYS 49 2.537 12.067 -2.457 387 HD2 LYS 49 1HD LYS 49 3.926 11.445 -4.273 388 HD3 LYS 49 2HD LYS 49 4.469 10.497 -2.885 389 HE2 LYS 49 1HE LYS 49 2.401 9.316 -4.663 390 HE3 LYS 49 2HE LYS 49 4.055 9.403 -5.265 391 HZ1 LYS 49 3HZ LYS 49 3.443 7.308 -4.062 392 HZ2 LYS 49 1HZ LYS 49 3.363 8.219 -2.639 393 HZ3 LYS 49 2HZ LYS 49 4.824 8.092 -3.480 394 H GLN 50 H GLN 50 1.448 8.847 0.542 395 HA GLN 50 HA GLN 50 3.098 6.777 1.120 396 HB2 GLN 50 1HB GLN 50 0.539 7.471 2.573 397 HB3 GLN 50 2HB GLN 50 1.836 6.482 3.233 398 HG2 GLN 50 1HG GLN 50 2.085 9.365 2.403 399 HG3 GLN 50 2HG GLN 50 1.910 8.781 4.057 400 HE21 GLN 50 1HE2 GLN 50 4.043 10.357 3.171 401 HE22 GLN 50 2HE2 GLN 50 5.493 9.423 3.275 402 H VAL 51 H VAL 51 -0.260 6.551 0.113 403 HA VAL 51 HA VAL 51 -0.510 3.747 0.600 404 HB VAL 51 HB VAL 51 -2.151 5.602 -1.129 405 HG11 VAL 51 1HG1 VAL 51 -3.331 3.873 -1.879 406 HG12 VAL 51 2HG1 VAL 51 -2.080 2.816 -1.221 407 HG13 VAL 51 3HG1 VAL 51 -3.502 3.209 -0.255 408 HG21 VAL 51 3HG2 VAL 51 -3.698 4.791 0.984 409 HG22 VAL 51 1HG2 VAL 51 -2.104 4.961 1.719 410 HG23 VAL 51 2HG2 VAL 51 -2.836 6.326 0.876 411 H ALA 52 H ALA 52 0.289 5.726 -2.213 412 HA ALA 52 HA ALA 52 0.215 3.763 -4.187 413 HB1 ALA 52 3HB ALA 52 1.779 6.300 -3.892 414 HB2 ALA 52 1HB ALA 52 2.020 5.242 -5.283 415 HB3 ALA 52 2HB ALA 52 0.430 5.940 -4.970 416 H SER 53 H SER 53 2.947 4.793 -2.152 417 HA SER 53 HA SER 53 4.788 2.928 -3.225 418 HB2 SER 53 1HB SER 53 4.804 4.356 -0.555 419 HB3 SER 53 2HB SER 53 6.172 3.486 -1.247 420 HG SER 53 HG SER 53 5.269 5.991 -1.779 421 H GLN 54 H GLN 54 2.702 2.883 -0.364 422 HA GLN 54 HA GLN 54 3.592 0.527 0.803 423 HB2 GLN 54 1HB GLN 54 1.789 2.284 1.556 424 HB3 GLN 54 2HB GLN 54 0.670 1.170 0.781 425 HG2 GLN 54 1HG GLN 54 0.683 0.552 3.031 426 HG3 GLN 54 2HG GLN 54 1.704 -0.639 2.227 427 HE21 GLN 54 1HE2 GLN 54 1.803 -0.173 4.958 428 HE22 GLN 54 2HE2 GLN 54 3.335 0.521 5.354 429 H VAL 55 H VAL 55 1.347 1.020 -1.862 430 HA VAL 55 HA VAL 55 0.429 -1.652 -2.040 431 HB VAL 55 HB VAL 55 0.573 0.473 -4.184 432 HG11 VAL 55 1HG1 VAL 55 -1.257 -1.904 -4.186 433 HG12 VAL 55 2HG1 VAL 55 -0.830 -0.831 -5.521 434 HG13 VAL 55 3HG1 VAL 55 0.354 -1.982 -4.900 435 HG21 VAL 55 3HG2 VAL 55 -0.884 0.557 -1.898 436 HG22 VAL 55 1HG2 VAL 55 -1.362 1.323 -3.412 437 HG23 VAL 55 2HG2 VAL 55 -2.008 -0.261 -2.983 438 H GLN 56 H GLN 56 3.185 0.046 -3.409 439 HA GLN 56 HA GLN 56 3.946 -1.897 -5.297 440 HB2 GLN 56 1HB GLN 56 5.361 0.337 -3.895 441 HB3 GLN 56 2HB GLN 56 6.293 -0.812 -4.845 442 HG2 GLN 56 1HG GLN 56 4.803 -0.298 -6.781 443 HG3 GLN 56 2HG GLN 56 4.084 0.984 -5.807 444 HE21 GLN 56 1HE2 GLN 56 5.335 2.791 -5.264 445 HE22 GLN 56 2HE2 GLN 56 6.764 3.201 -6.143 446 H LYS 57 H LYS 57 4.570 -1.566 -1.862 447 HA LYS 57 HA LYS 57 6.314 -3.916 -1.899 448 HB2 LYS 57 1HB LYS 57 5.727 -1.787 0.136 449 HB3 LYS 57 2HB LYS 57 6.470 -3.305 0.622 450 HG2 LYS 57 1HG LYS 57 8.430 -2.860 -0.486 451 HG3 LYS 57 2HG LYS 57 7.659 -1.765 -1.635 452 HD2 LYS 57 1HD LYS 57 7.216 -0.357 0.563 453 HD3 LYS 57 2HD LYS 57 8.625 -1.255 1.133 454 HE2 LYS 57 1HE LYS 57 8.650 0.155 -1.513 455 HE3 LYS 57 2HE LYS 57 8.987 1.026 -0.017 456 HZ1 LYS 57 3HZ LYS 57 11.062 0.353 -0.784 457 HZ2 LYS 57 1HZ LYS 57 10.520 -1.183 -1.241 458 HZ3 LYS 57 2HZ LYS 57 10.692 -0.800 0.397 459 H TYR 58 H TYR 58 3.227 -3.704 -2.135 460 HA TYR 58 HA TYR 58 2.609 -5.649 -0.008 461 HB2 TYR 58 1HB TYR 58 1.031 -3.435 -1.220 462 HB3 TYR 58 2HB TYR 58 0.160 -4.894 -0.761 463 HD1 TYR 58 1HD TYR 58 3.122 -3.780 1.089 464 HD2 TYR 58 2HD TYR 58 -1.130 -3.761 0.948 465 HE1 TYR 58 1HE TYR 58 3.054 -3.001 3.421 466 HE2 TYR 58 2HE TYR 58 -1.210 -2.981 3.279 467 HH TYR 58 HH TYR 58 1.770 -2.357 5.111 468 H PHE 59 H PHE 59 3.077 -5.255 -3.307 469 HA PHE 59 HA PHE 59 1.761 -7.830 -3.840 470 HB2 PHE 59 1HB PHE 59 1.756 -5.415 -5.663 471 HB3 PHE 59 2HB PHE 59 1.154 -7.011 -6.098 472 HD1 PHE 59 2HD PHE 59 0.729 -4.617 -3.262 473 HD2 PHE 59 1HD PHE 59 -1.120 -7.220 -6.076 474 HE1 PHE 59 2HE PHE 59 -1.479 -4.025 -2.353 475 HE2 PHE 59 1HE PHE 59 -3.332 -6.632 -5.172 476 HZ PHE 59 HZ PHE 59 -3.513 -5.034 -3.307 477 H ILE 60 H ILE 60 4.004 -5.458 -5.278 478 HA ILE 60 HA ILE 60 5.381 -7.252 -6.917 479 HB ILE 60 HB ILE 60 6.509 -4.769 -5.619 480 HG12 ILE 60 1HG1 ILE 60 5.189 -5.018 -8.326 481 HG13 ILE 60 2HG1 ILE 60 4.343 -4.464 -6.885 482 HG21 ILE 60 1HG2 ILE 60 7.496 -6.651 -7.651 483 HG22 ILE 60 2HG2 ILE 60 7.667 -4.944 -8.056 484 HG23 ILE 60 3HG2 ILE 60 8.383 -5.574 -6.573 485 HD11 ILE 60 3HD1 ILE 60 5.134 -2.414 -7.136 486 HD12 ILE 60 1HD1 ILE 60 6.792 -3.002 -7.258 487 HD13 ILE 60 2HD1 ILE 60 5.776 -2.923 -8.698 488 H LYS 61 H LYS 61 5.870 -6.372 -3.543 489 HA LYS 61 HA LYS 61 8.357 -7.692 -3.216 490 HB2 LYS 61 1HB LYS 61 7.200 -5.925 -1.706 491 HB3 LYS 61 2HB LYS 61 6.382 -7.306 -0.986 492 HG2 LYS 61 1HG LYS 61 8.612 -8.294 -0.500 493 HG3 LYS 61 2HG LYS 61 9.347 -6.797 -1.079 494 HD2 LYS 61 1HD LYS 61 7.654 -5.730 0.659 495 HD3 LYS 61 2HD LYS 61 7.797 -7.324 1.404 496 HE2 LYS 61 1HE LYS 61 10.339 -6.960 1.160 497 HE3 LYS 61 2HE LYS 61 9.922 -5.263 0.930 498 HZ1 LYS 61 3HZ LYS 61 8.858 -6.733 3.248 499 HZ2 LYS 61 1HZ LYS 61 9.136 -5.074 3.070 500 HZ3 LYS 61 2HZ LYS 61 10.439 -6.131 3.288 501 H LEU 62 H LEU 62 5.047 -8.756 -3.147 502 HA LEU 62 HA LEU 62 5.906 -11.421 -2.249 503 HB2 LEU 62 1HB LEU 62 3.272 -11.660 -2.166 504 HB3 LEU 62 2HB LEU 62 4.195 -10.964 -0.835 505 HG LEU 62 HG LEU 62 3.034 -9.183 -2.940 506 HD11 LEU 62 1HD1 LEU 62 1.430 -9.666 -0.509 507 HD12 LEU 62 2HD1 LEU 62 1.385 -10.922 -1.745 508 HD13 LEU 62 3HD1 LEU 62 0.920 -9.270 -2.150 509 HD21 LEU 62 3HD2 LEU 62 2.789 -8.032 -0.453 510 HD22 LEU 62 1HD2 LEU 62 4.085 -7.732 -1.610 511 HD23 LEU 62 2HD2 LEU 62 4.304 -8.928 -0.333 512 H THR 63 H THR 63 6.583 -10.801 -4.816 513 HA THR 63 HA THR 63 4.528 -11.869 -6.584 514 HB THR 63 HB THR 63 7.323 -10.921 -7.249 515 HG1 THR 63 1HG THR 63 6.485 -8.979 -7.312 516 HG21 THR 63 3HG2 THR 63 5.143 -10.995 -9.256 517 HG22 THR 63 1HG2 THR 63 5.849 -12.541 -8.785 518 HG23 THR 63 2HG2 THR 63 6.873 -11.270 -9.453 519 H LYS 64 H LYS 64 7.995 -12.553 -6.064 520 HA LYS 64 HA LYS 64 7.397 -15.400 -6.537 521 HB2 LYS 64 1HB LYS 64 8.833 -13.976 -8.250 522 HB3 LYS 64 2HB LYS 64 10.116 -14.300 -7.092 523 HG2 LYS 64 1HG LYS 64 8.429 -16.516 -8.190 524 HG3 LYS 64 2HG LYS 64 9.823 -15.896 -9.077 525 HD2 LYS 64 1HD LYS 64 11.142 -16.282 -6.922 526 HD3 LYS 64 2HD LYS 64 9.757 -17.234 -6.386 527 HE2 LYS 64 1HE LYS 64 11.244 -18.788 -7.333 528 HE3 LYS 64 2HE LYS 64 10.004 -18.530 -8.559 529 HZ1 LYS 64 3HZ LYS 64 12.821 -17.799 -8.587 530 HZ2 LYS 64 1HZ LYS 64 11.753 -16.687 -9.284 531 HZ3 LYS 64 2HZ LYS 64 11.813 -18.276 -9.859 532 H ALA 65 H ALA 65 8.291 -16.889 -5.170 533 HA ALA 65 HA ALA 65 8.869 -16.201 -2.554 534 HB1 ALA 65 3HB ALA 65 10.176 -18.663 -3.468 535 HB2 ALA 65 1HB ALA 65 8.984 -18.413 -2.192 536 HB3 ALA 65 2HB ALA 65 8.464 -18.540 -3.873 537 H GLY 66 H GLY 66 11.175 -17.085 -5.129 538 HA2 GLY 66 1HA GLY 66 13.568 -17.063 -3.949 539 HA3 GLY 66 2HA GLY 66 13.311 -16.224 -5.471 540 H ILE 67 H ILE 67 11.713 -14.112 -4.596 541 HA ILE 67 HA ILE 67 13.656 -12.290 -3.699 542 HB ILE 67 HB ILE 67 10.650 -12.006 -3.703 543 HG12 ILE 67 1HG1 ILE 67 12.492 -10.725 -5.683 544 HG13 ILE 67 2HG1 ILE 67 12.075 -12.423 -5.883 545 HG21 ILE 67 1HG2 ILE 67 12.619 -9.746 -3.722 546 HG22 ILE 67 2HG2 ILE 67 10.896 -9.714 -3.349 547 HG23 ILE 67 3HG2 ILE 67 12.030 -10.440 -2.211 548 HD11 ILE 67 3HD1 ILE 67 9.652 -11.681 -5.742 549 HD12 ILE 67 1HD1 ILE 67 10.262 -10.039 -5.943 550 HD13 ILE 67 2HD1 ILE 67 10.545 -11.245 -7.199 551 HA PRO 68 HA PRO 68 13.586 -12.900 0.669 552 HB2 PRO 68 1HB PRO 68 14.695 -10.535 1.409 553 HB3 PRO 68 2HB PRO 68 15.630 -11.851 0.688 554 HG2 PRO 68 1HG PRO 68 14.523 -9.386 -0.601 555 HG3 PRO 68 2HG PRO 68 16.114 -10.141 -0.811 556 HD2 PRO 68 1HD PRO 68 14.099 -10.469 -2.590 557 HD3 PRO 68 2HD PRO 68 15.306 -11.731 -2.271 558 H VAL 69 H VAL 69 11.839 -12.773 1.919 559 HA VAL 69 HA VAL 69 10.169 -10.357 1.797 560 HB VAL 69 HB VAL 69 9.477 -13.119 2.808 561 HG11 VAL 69 1HG1 VAL 69 8.141 -10.516 3.038 562 HG12 VAL 69 2HG1 VAL 69 7.115 -11.826 2.450 563 HG13 VAL 69 3HG1 VAL 69 7.947 -11.982 3.998 564 HG21 VAL 69 3HG2 VAL 69 9.488 -13.385 0.524 565 HG22 VAL 69 1HG2 VAL 69 7.830 -12.843 0.787 566 HG23 VAL 69 2HG2 VAL 69 9.050 -11.704 0.217 567 H SER 70 H SER 70 10.329 -8.968 3.417 568 HA SER 70 HA SER 70 10.666 -9.952 6.144 569 HB2 SER 70 1HB SER 70 12.463 -8.307 6.605 570 HB3 SER 70 2HB SER 70 12.955 -9.515 5.418 571 HG SER 70 HG SER 70 13.467 -7.282 4.879 572 H GLY 71 H GLY 71 9.211 -9.001 7.399 573 HA2 GLY 71 1HA GLY 71 7.711 -6.735 6.454 574 HA3 GLY 71 2HA GLY 71 7.474 -7.584 7.974 575 HA PRO 72 HA PRO 72 9.858 -3.438 8.392 576 HB2 PRO 72 1HB PRO 72 7.801 -1.753 8.939 577 HB3 PRO 72 2HB PRO 72 8.411 -2.025 7.303 578 HG2 PRO 72 1HG PRO 72 6.021 -3.216 8.655 579 HG3 PRO 72 2HG PRO 72 6.176 -2.594 7.002 580 HD2 PRO 72 1HD PRO 72 6.267 -5.238 7.578 581 HD3 PRO 72 2HD PRO 72 7.183 -4.521 6.237 582 H SER 73 H SER 73 10.376 -2.581 10.397 583 HA SER 73 HA SER 73 9.598 -4.112 12.666 584 HB2 SER 73 1HB SER 73 11.027 -2.510 13.932 585 HB3 SER 73 2HB SER 73 11.843 -3.197 12.528 586 HG SER 73 HG SER 73 11.977 -0.823 12.881 587 H SER 74 H SER 74 8.425 -3.493 14.486 588 HA SER 74 HA SER 74 6.828 -1.036 14.235 589 HB2 SER 74 1HB SER 74 5.306 -2.722 13.544 590 HB3 SER 74 2HB SER 74 5.839 -3.829 14.809 591 HG SER 74 HG SER 74 4.363 -1.429 15.126 592 H GLY 75 H GLY 75 7.488 0.194 15.878 593 HA2 GLY 75 1HA GLY 75 8.540 -0.874 18.310 594 HA3 GLY 75 2HA GLY 75 8.200 0.818 17.979 Start of MODEL 12 1 H1 GLY 1 H GLY 1 13.849 -5.176 4.983 2 HA2 GLY 1 1HA GLY 1 13.286 -7.235 6.507 3 HA3 GLY 1 2HA GLY 1 14.856 -6.464 6.677 4 H SER 2 H SER 2 13.008 -7.873 8.601 5 HA SER 2 HA SER 2 12.748 -5.703 10.577 6 HB2 SER 2 1HB SER 2 11.109 -8.128 10.015 7 HB3 SER 2 2HB SER 2 11.252 -7.610 11.695 8 HG SER 2 HG SER 2 10.667 -5.667 9.780 9 H SER 3 H SER 3 14.269 -5.697 12.080 10 HA SER 3 HA SER 3 15.407 -8.275 12.945 11 HB2 SER 3 1HB SER 3 17.546 -7.137 13.315 12 HB3 SER 3 2HB SER 3 17.035 -6.961 11.636 13 HG SER 3 HG SER 3 16.540 -5.013 13.635 14 H GLY 4 H GLY 4 13.152 -7.197 14.160 15 HA2 GLY 4 1HA GLY 4 12.878 -7.402 16.596 16 HA3 GLY 4 2HA GLY 4 14.261 -6.330 16.758 17 H SER 5 H SER 5 13.305 -4.692 17.875 18 HA SER 5 HA SER 5 10.886 -3.476 16.754 19 HB2 SER 5 1HB SER 5 10.724 -2.272 18.887 20 HB3 SER 5 2HB SER 5 10.865 -4.008 19.161 21 HG SER 5 HG SER 5 12.532 -1.990 19.911 22 H SER 6 H SER 6 11.429 -2.121 15.144 23 HA SER 6 HA SER 6 12.892 0.267 15.798 24 HB2 SER 6 1HB SER 6 14.687 -1.382 15.160 25 HB3 SER 6 2HB SER 6 13.965 -1.452 13.553 26 HG SER 6 HG SER 6 15.519 0.088 13.427 27 H GLY 7 H GLY 7 12.881 1.833 13.973 28 HA2 GLY 7 1HA GLY 7 11.968 2.216 11.681 29 HA3 GLY 7 2HA GLY 7 10.540 1.354 12.234 30 H ASN 8 H ASN 8 11.546 4.306 11.478 31 HA ASN 8 HA ASN 8 10.390 5.751 13.718 32 HB2 ASN 8 1HB ASN 8 12.444 6.433 12.213 33 HB3 ASN 8 2HB ASN 8 11.190 7.080 11.158 34 HD21 ASN 8 1HD2 ASN 8 13.305 8.351 12.835 35 HD22 ASN 8 2HD2 ASN 8 12.464 9.512 13.799 36 H GLN 9 H GLN 9 9.852 5.823 10.189 37 HA GLN 9 HA GLN 9 7.030 6.456 10.728 38 HB2 GLN 9 1HB GLN 9 8.696 6.981 8.260 39 HB3 GLN 9 2HB GLN 9 6.987 7.365 8.422 40 HG2 GLN 9 1HG GLN 9 8.002 9.387 8.849 41 HG3 GLN 9 2HG GLN 9 7.728 8.748 10.469 42 HE21 GLN 9 1HE2 GLN 9 10.208 8.252 7.976 43 HE22 GLN 9 2HE2 GLN 9 11.554 8.577 9.009 44 H LEU 10 H LEU 10 7.005 4.012 11.114 45 HA LEU 10 HA LEU 10 6.710 2.561 8.574 46 HB2 LEU 10 1HB LEU 10 7.469 1.769 11.328 47 HB3 LEU 10 2HB LEU 10 6.557 0.602 10.373 48 HG LEU 10 HG LEU 10 9.144 1.842 9.451 49 HD11 LEU 10 1HD1 LEU 10 10.358 0.267 10.501 50 HD12 LEU 10 2HD1 LEU 10 9.111 -0.966 10.324 51 HD13 LEU 10 3HD1 LEU 10 8.987 0.232 11.611 52 HD21 LEU 10 3HD2 LEU 10 8.194 -0.787 8.503 53 HD22 LEU 10 1HD2 LEU 10 9.001 0.515 7.629 54 HD23 LEU 10 2HD2 LEU 10 7.272 0.618 7.965 55 H TRP 11 H TRP 11 4.928 0.985 8.454 56 HA TRP 11 HA TRP 11 2.463 2.217 9.296 57 HB2 TRP 11 1HB TRP 11 3.165 -0.142 7.573 58 HB3 TRP 11 2HB TRP 11 1.504 0.117 8.099 59 HD1 TRP 11 HD TRP 11 4.160 2.563 6.645 60 HE1 TRP 11 1HE TRP 11 3.054 3.864 4.719 61 HE3 TRP 11 3HE TRP 11 -0.454 0.362 6.724 62 HZ2 TRP 11 2HZ TRP 11 0.555 3.946 3.407 63 HZ3 TRP 11 3HZ TRP 11 -2.145 1.110 5.101 64 HH2 TRP 11 HH TRP 11 -1.649 2.865 3.478 65 H THR 12 H THR 12 0.934 1.389 10.694 66 HA THR 12 HA THR 12 1.956 -0.548 12.631 67 HB THR 12 HB THR 12 1.092 1.585 13.503 68 HG1 THR 12 1HG THR 12 -0.012 -0.890 14.167 69 HG21 THR 12 3HG2 THR 12 -1.263 2.128 13.390 70 HG22 THR 12 1HG2 THR 12 -1.592 0.657 12.475 71 HG23 THR 12 2HG2 THR 12 -0.629 1.947 11.755 72 H VAL 13 H VAL 13 0.805 -2.382 13.263 73 HA VAL 13 HA VAL 13 -0.279 -4.028 11.439 74 HB VAL 13 HB VAL 13 0.165 -4.791 13.691 75 HG11 VAL 13 1HG1 VAL 13 -0.878 -4.063 15.591 76 HG12 VAL 13 2HG1 VAL 13 -0.956 -2.590 14.623 77 HG13 VAL 13 3HG1 VAL 13 -2.367 -3.641 14.747 78 HG21 VAL 13 3HG2 VAL 13 -2.407 -5.714 14.027 79 HG22 VAL 13 1HG2 VAL 13 -2.338 -5.332 12.307 80 HG23 VAL 13 2HG2 VAL 13 -1.169 -6.450 13.010 81 H GLU 14 H GLU 14 -2.177 -1.766 13.425 82 HA GLU 14 HA GLU 14 -4.718 -2.340 12.615 83 HB2 GLU 14 1HB GLU 14 -3.404 0.291 13.243 84 HB3 GLU 14 2HB GLU 14 -5.108 0.207 12.818 85 HG2 GLU 14 1HG GLU 14 -4.098 -1.583 14.961 86 HG3 GLU 14 2HG GLU 14 -4.303 0.130 15.318 87 H GLU 15 H GLU 15 -2.866 0.311 11.109 88 HA GLU 15 HA GLU 15 -4.470 0.728 8.923 89 HB2 GLU 15 1HB GLU 15 -1.555 1.110 9.428 90 HB3 GLU 15 2HB GLU 15 -2.147 1.307 7.785 91 HG2 GLU 15 1HG GLU 15 -3.195 2.789 10.185 92 HG3 GLU 15 2HG GLU 15 -2.025 3.424 9.029 93 H GLN 16 H GLN 16 -1.605 -1.393 9.018 94 HA GLN 16 HA GLN 16 -1.476 -2.405 6.546 95 HB2 GLN 16 1HB GLN 16 -1.253 -3.795 9.195 96 HB3 GLN 16 2HB GLN 16 -1.066 -4.706 7.702 97 HG2 GLN 16 1HG GLN 16 0.801 -3.362 7.042 98 HG3 GLN 16 2HG GLN 16 0.554 -2.272 8.406 99 HE21 GLN 16 1HE2 GLN 16 1.228 -2.875 10.433 100 HE22 GLN 16 2HE2 GLN 16 2.228 -4.253 10.721 101 H LYS 17 H LYS 17 -3.935 -3.273 8.928 102 HA LYS 17 HA LYS 17 -5.186 -5.255 7.308 103 HB2 LYS 17 1HB LYS 17 -6.598 -3.738 9.482 104 HB3 LYS 17 2HB LYS 17 -6.803 -5.417 8.997 105 HG2 LYS 17 1HG LYS 17 -4.304 -5.607 9.795 106 HG3 LYS 17 2HG LYS 17 -4.738 -4.181 10.740 107 HD2 LYS 17 1HD LYS 17 -6.501 -6.600 10.756 108 HD3 LYS 17 2HD LYS 17 -5.058 -6.543 11.771 109 HE2 LYS 17 1HE LYS 17 -5.909 -4.369 12.688 110 HE3 LYS 17 2HE LYS 17 -7.410 -4.660 11.811 111 HZ1 LYS 17 3HZ LYS 17 -7.351 -5.370 14.217 112 HZ2 LYS 17 1HZ LYS 17 -6.308 -6.614 13.742 113 HZ3 LYS 17 2HZ LYS 17 -7.875 -6.538 13.111 114 H LYS 18 H LYS 18 -6.440 -2.082 8.355 115 HA LYS 18 HA LYS 18 -8.612 -1.845 6.754 116 HB2 LYS 18 1HB LYS 18 -7.596 -0.165 8.436 117 HB3 LYS 18 2HB LYS 18 -6.735 0.486 7.048 118 HG2 LYS 18 1HG LYS 18 -8.695 1.199 6.012 119 HG3 LYS 18 2HG LYS 18 -9.711 0.153 7.007 120 HD2 LYS 18 1HD LYS 18 -9.507 1.538 8.878 121 HD3 LYS 18 2HD LYS 18 -8.082 2.355 8.231 122 HE2 LYS 18 1HE LYS 18 -9.868 3.888 8.025 123 HE3 LYS 18 2HE LYS 18 -9.582 3.251 6.406 124 HZ1 LYS 18 3HZ LYS 18 -11.577 1.930 8.101 125 HZ2 LYS 18 1HZ LYS 18 -11.530 2.090 6.417 126 HZ3 LYS 18 2HZ LYS 18 -11.985 3.404 7.379 127 H LEU 19 H LEU 19 -5.265 -1.171 5.804 128 HA LEU 19 HA LEU 19 -5.812 -0.239 3.211 129 HB2 LEU 19 1HB LEU 19 -3.667 0.159 4.134 130 HB3 LEU 19 2HB LEU 19 -3.399 -1.558 4.425 131 HG LEU 19 HG LEU 19 -3.293 -1.902 1.966 132 HD11 LEU 19 1HD1 LEU 19 -4.405 -0.214 0.904 133 HD12 LEU 19 2HD1 LEU 19 -2.749 0.375 0.763 134 HD13 LEU 19 3HD1 LEU 19 -3.813 1.026 2.010 135 HD21 LEU 19 3HD2 LEU 19 -1.168 -1.841 2.754 136 HD22 LEU 19 1HD2 LEU 19 -1.381 -0.271 3.530 137 HD23 LEU 19 2HD2 LEU 19 -1.117 -0.365 1.788 138 H GLU 20 H GLU 20 -5.018 -3.494 4.393 139 HA GLU 20 HA GLU 20 -4.926 -4.843 1.982 140 HB2 GLU 20 1HB GLU 20 -5.738 -5.672 4.748 141 HB3 GLU 20 2HB GLU 20 -5.871 -6.807 3.412 142 HG2 GLU 20 1HG GLU 20 -3.489 -6.563 2.957 143 HG3 GLU 20 2HG GLU 20 -3.351 -5.410 4.282 144 H GLN 21 H GLN 21 -7.755 -4.157 4.014 145 HA GLN 21 HA GLN 21 -9.615 -5.465 2.314 146 HB2 GLN 21 1HB GLN 21 -9.794 -3.598 4.633 147 HB3 GLN 21 2HB GLN 21 -11.223 -3.822 3.633 148 HG2 GLN 21 1HG GLN 21 -9.698 -6.049 4.964 149 HG3 GLN 21 2HG GLN 21 -11.155 -5.295 5.611 150 HE21 GLN 21 1HE2 GLN 21 -11.290 -7.903 5.296 151 HE22 GLN 21 2HE2 GLN 21 -12.237 -8.341 3.919 152 H LEU 22 H LEU 22 -8.848 -2.022 2.807 153 HA LEU 22 HA LEU 22 -10.588 -0.917 0.973 154 HB2 LEU 22 1HB LEU 22 -7.831 -0.086 1.831 155 HB3 LEU 22 2HB LEU 22 -8.806 0.887 0.731 156 HG LEU 22 HG LEU 22 -9.976 0.111 3.358 157 HD11 LEU 22 1HD1 LEU 22 -7.825 2.171 2.950 158 HD12 LEU 22 2HD1 LEU 22 -7.866 0.851 4.118 159 HD13 LEU 22 3HD1 LEU 22 -8.961 2.222 4.299 160 HD21 LEU 22 3HD2 LEU 22 -10.132 2.805 2.107 161 HD22 LEU 22 1HD2 LEU 22 -11.344 1.909 3.023 162 HD23 LEU 22 2HD2 LEU 22 -11.006 1.473 1.348 163 H LEU 23 H LEU 23 -7.269 -2.061 0.406 164 HA LEU 23 HA LEU 23 -6.823 -1.405 -2.174 165 HB2 LEU 23 1HB LEU 23 -6.225 -3.907 -0.653 166 HB3 LEU 23 2HB LEU 23 -5.801 -3.797 -2.360 167 HG LEU 23 HG LEU 23 -4.854 -1.772 -0.350 168 HD11 LEU 23 1HD1 LEU 23 -3.770 -3.500 0.613 169 HD12 LEU 23 2HD1 LEU 23 -2.677 -3.289 -0.754 170 HD13 LEU 23 3HD1 LEU 23 -3.924 -4.534 -0.808 171 HD21 LEU 23 3HD2 LEU 23 -4.258 -0.826 -2.296 172 HD22 LEU 23 1HD2 LEU 23 -4.439 -2.330 -3.200 173 HD23 LEU 23 2HD2 LEU 23 -2.962 -2.024 -2.285 174 H ILE 24 H ILE 24 -8.859 -4.088 -1.074 175 HA ILE 24 HA ILE 24 -9.533 -4.922 -3.734 176 HB ILE 24 HB ILE 24 -10.850 -5.608 -1.103 177 HG12 ILE 24 1HG1 ILE 24 -9.119 -7.491 -2.643 178 HG13 ILE 24 2HG1 ILE 24 -8.340 -6.228 -1.696 179 HG21 ILE 24 1HG2 ILE 24 -11.165 -7.617 -3.094 180 HG22 ILE 24 2HG2 ILE 24 -12.406 -6.684 -2.260 181 HG23 ILE 24 3HG2 ILE 24 -11.704 -6.075 -3.759 182 HD11 ILE 24 3HD1 ILE 24 -8.907 -7.169 0.277 183 HD12 ILE 24 1HD1 ILE 24 -10.424 -7.823 -0.341 184 HD13 ILE 24 2HD1 ILE 24 -8.899 -8.628 -0.713 185 H LYS 25 H LYS 25 -11.183 -3.103 -1.174 186 HA LYS 25 HA LYS 25 -13.657 -2.768 -2.376 187 HB2 LYS 25 1HB LYS 25 -13.239 -2.099 -0.079 188 HB3 LYS 25 2HB LYS 25 -12.124 -0.848 -0.614 189 HG2 LYS 25 1HG LYS 25 -14.911 -0.765 -1.635 190 HG3 LYS 25 2HG LYS 25 -14.617 -0.303 0.043 191 HD2 LYS 25 1HD LYS 25 -13.324 1.519 -0.547 192 HD3 LYS 25 2HD LYS 25 -12.906 0.842 -2.122 193 HE2 LYS 25 1HE LYS 25 -15.741 1.563 -1.499 194 HE3 LYS 25 2HE LYS 25 -14.594 2.818 -1.966 195 HZ1 LYS 25 3HZ LYS 25 -15.165 2.265 -4.036 196 HZ2 LYS 25 1HZ LYS 25 -15.847 0.787 -3.575 197 HZ3 LYS 25 2HZ LYS 25 -14.179 0.907 -3.827 198 H TYR 26 H TYR 26 -10.672 -0.945 -2.844 199 HA TYR 26 HA TYR 26 -11.995 0.656 -4.921 200 HB2 TYR 26 1HB TYR 26 -9.486 1.068 -3.310 201 HB3 TYR 26 2HB TYR 26 -9.790 1.982 -4.783 202 HD1 TYR 26 1HD TYR 26 -11.881 3.409 -4.906 203 HD2 TYR 26 2HD TYR 26 -10.478 1.698 -1.272 204 HE1 TYR 26 1HE TYR 26 -13.233 5.021 -3.632 205 HE2 TYR 26 2HE TYR 26 -11.828 3.304 0.012 206 HH TYR 26 HH TYR 26 -14.246 5.215 -1.399 207 HA PRO 27 HA PRO 27 -9.802 -2.348 -7.545 208 HB2 PRO 27 1HB PRO 27 -11.431 -1.972 -9.684 209 HB3 PRO 27 2HB PRO 27 -11.841 -3.045 -8.341 210 HG2 PRO 27 1HG PRO 27 -12.743 -0.239 -8.867 211 HG3 PRO 27 2HG PRO 27 -13.688 -1.632 -8.310 212 HD2 PRO 27 1HD PRO 27 -12.799 0.292 -6.626 213 HD3 PRO 27 2HD PRO 27 -12.976 -1.403 -6.130 214 HA PRO 28 HA PRO 28 -7.306 0.368 -9.940 215 HB2 PRO 28 1HB PRO 28 -6.780 -1.134 -12.140 216 HB3 PRO 28 2HB PRO 28 -6.073 -1.470 -10.555 217 HG2 PRO 28 1HG PRO 28 -8.419 -2.760 -11.895 218 HG3 PRO 28 2HG PRO 28 -7.097 -3.513 -10.984 219 HD2 PRO 28 1HD PRO 28 -9.541 -3.068 -9.906 220 HD3 PRO 28 2HD PRO 28 -8.049 -3.013 -8.945 221 H GLU 29 H GLU 29 -7.542 1.995 -11.382 222 HA GLU 29 HA GLU 29 -9.620 1.749 -13.445 223 HB2 GLU 29 1HB GLU 29 -10.303 4.096 -12.974 224 HB3 GLU 29 2HB GLU 29 -10.659 2.984 -11.660 225 HG2 GLU 29 1HG GLU 29 -8.737 3.768 -10.425 226 HG3 GLU 29 2HG GLU 29 -8.278 4.821 -11.762 227 H GLU 30 H GLU 30 -9.468 3.739 -14.972 228 HA GLU 30 HA GLU 30 -7.202 3.640 -16.456 229 HB2 GLU 30 1HB GLU 30 -7.812 5.857 -17.372 230 HB3 GLU 30 2HB GLU 30 -9.189 4.771 -17.249 231 HG2 GLU 30 1HG GLU 30 -9.550 5.953 -14.952 232 HG3 GLU 30 2HG GLU 30 -8.560 7.220 -15.675 233 H VAL 31 H VAL 31 -7.846 6.009 -13.881 234 HA VAL 31 HA VAL 31 -5.023 6.807 -13.957 235 HB VAL 31 HB VAL 31 -7.360 8.110 -12.554 236 HG11 VAL 31 1HG1 VAL 31 -4.593 9.231 -12.927 237 HG12 VAL 31 2HG1 VAL 31 -5.902 9.866 -11.928 238 HG13 VAL 31 3HG1 VAL 31 -5.091 8.367 -11.472 239 HG21 VAL 31 3HG2 VAL 31 -6.199 8.383 -15.235 240 HG22 VAL 31 1HG2 VAL 31 -7.800 8.822 -14.639 241 HG23 VAL 31 2HG2 VAL 31 -6.433 9.905 -14.376 242 H GLU 32 H GLU 32 -3.792 5.563 -12.693 243 HA GLU 32 HA GLU 32 -4.701 4.114 -10.457 244 HB2 GLU 32 1HB GLU 32 -2.537 3.869 -11.928 245 HB3 GLU 32 2HB GLU 32 -1.835 4.934 -10.718 246 HG2 GLU 32 1HG GLU 32 -2.313 3.363 -8.972 247 HG3 GLU 32 2HG GLU 32 -3.205 2.331 -10.088 248 H SER 33 H SER 33 -3.304 7.313 -10.795 249 HA SER 33 HA SER 33 -2.571 7.888 -8.202 250 HB2 SER 33 1HB SER 33 -2.199 9.418 -10.097 251 HB3 SER 33 2HB SER 33 -3.927 9.761 -10.159 252 HG SER 33 HG SER 33 -3.570 11.217 -8.704 253 H ARG 34 H ARG 34 -5.742 8.659 -9.651 254 HA ARG 34 HA ARG 34 -7.043 9.545 -7.401 255 HB2 ARG 34 1HB ARG 34 -8.246 7.851 -9.598 256 HB3 ARG 34 2HB ARG 34 -9.133 8.894 -8.495 257 HG2 ARG 34 1HG ARG 34 -8.358 10.835 -9.503 258 HG3 ARG 34 2HG ARG 34 -6.991 10.012 -10.256 259 HD2 ARG 34 1HD ARG 34 -8.348 10.205 -12.075 260 HD3 ARG 34 2HD ARG 34 -8.933 8.664 -11.448 261 HE ARG 34 HE ARG 34 -10.347 10.953 -10.428 262 HH11 ARG 34 1HH1 ARG 34 -10.144 8.611 -12.996 263 HH12 ARG 34 2HH1 ARG 34 -11.809 8.770 -13.449 264 HH21 ARG 34 1HH2 ARG 34 -12.540 11.171 -11.014 265 HH22 ARG 34 2HH2 ARG 34 -13.171 10.227 -12.321 266 H ARG 35 H ARG 35 -6.947 6.187 -8.592 267 HA ARG 35 HA ARG 35 -8.462 4.879 -6.776 268 HB2 ARG 35 1HB ARG 35 -7.380 3.643 -8.509 269 HB3 ARG 35 2HB ARG 35 -5.785 4.069 -7.904 270 HG2 ARG 35 1HG ARG 35 -6.399 2.784 -5.805 271 HG3 ARG 35 2HG ARG 35 -7.776 2.164 -6.718 272 HD2 ARG 35 1HD ARG 35 -6.346 1.140 -8.325 273 HD3 ARG 35 2HD ARG 35 -4.927 1.953 -7.667 274 HE ARG 35 HE ARG 35 -6.073 0.396 -5.645 275 HH11 ARG 35 1HH1 ARG 35 -4.422 0.004 -8.685 276 HH12 ARG 35 2HH1 ARG 35 -3.736 -1.530 -8.263 277 HH21 ARG 35 1HH2 ARG 35 -5.176 -1.624 -5.079 278 HH22 ARG 35 2HH2 ARG 35 -4.166 -2.455 -6.212 279 H TRP 36 H TRP 36 -5.110 5.924 -6.263 280 HA TRP 36 HA TRP 36 -4.918 4.878 -3.628 281 HB2 TRP 36 1HB TRP 36 -3.295 7.153 -4.773 282 HB3 TRP 36 2HB TRP 36 -2.835 6.046 -3.483 283 HD1 TRP 36 HD TRP 36 -1.749 6.636 -6.747 284 HE1 TRP 36 1HE TRP 36 -0.999 4.512 -7.991 285 HE3 TRP 36 3HE TRP 36 -3.969 3.124 -3.769 286 HZ2 TRP 36 2HZ TRP 36 -1.307 1.717 -7.744 287 HZ3 TRP 36 3HZ TRP 36 -3.694 0.747 -4.342 288 HH2 TRP 36 HH TRP 36 -2.390 0.060 -6.289 289 H GLN 37 H GLN 37 -5.548 8.134 -4.903 290 HA GLN 37 HA GLN 37 -5.674 9.537 -2.525 291 HB2 GLN 37 1HB GLN 37 -5.775 10.591 -4.744 292 HB3 GLN 37 2HB GLN 37 -7.389 9.935 -4.983 293 HG2 GLN 37 1HG GLN 37 -7.298 12.341 -4.314 294 HG3 GLN 37 2HG GLN 37 -8.300 11.313 -3.291 295 HE21 GLN 37 1HE2 GLN 37 -7.707 10.944 -1.185 296 HE22 GLN 37 2HE2 GLN 37 -6.440 11.814 -0.397 297 H LYS 38 H LYS 38 -8.225 7.683 -4.137 298 HA LYS 38 HA LYS 38 -10.306 8.326 -2.360 299 HB2 LYS 38 1HB LYS 38 -9.911 5.827 -4.016 300 HB3 LYS 38 2HB LYS 38 -11.419 6.305 -3.248 301 HG2 LYS 38 1HG LYS 38 -11.630 8.204 -4.662 302 HG3 LYS 38 2HG LYS 38 -9.997 7.988 -5.296 303 HD2 LYS 38 1HD LYS 38 -10.794 5.722 -6.137 304 HD3 LYS 38 2HD LYS 38 -12.428 6.281 -5.775 305 HE2 LYS 38 1HE LYS 38 -10.596 7.954 -7.447 306 HE3 LYS 38 2HE LYS 38 -11.457 6.594 -8.167 307 HZ1 LYS 38 3HZ LYS 38 -13.484 7.593 -7.852 308 HZ2 LYS 38 1HZ LYS 38 -12.516 8.944 -8.170 309 HZ3 LYS 38 2HZ LYS 38 -12.947 8.569 -6.578 310 H ILE 39 H ILE 39 -8.023 5.608 -2.396 311 HA ILE 39 HA ILE 39 -9.052 4.261 -0.157 312 HB ILE 39 HB ILE 39 -6.293 4.296 -1.366 313 HG12 ILE 39 1HG1 ILE 39 -8.267 2.024 -1.272 314 HG13 ILE 39 2HG1 ILE 39 -8.344 3.254 -2.528 315 HG21 ILE 39 1HG2 ILE 39 -5.901 2.242 0.042 316 HG22 ILE 39 2HG2 ILE 39 -5.907 3.775 0.912 317 HG23 ILE 39 3HG2 ILE 39 -7.316 2.717 0.982 318 HD11 ILE 39 3HD1 ILE 39 -7.147 1.403 -3.398 319 HD12 ILE 39 1HD1 ILE 39 -5.979 2.690 -3.099 320 HD13 ILE 39 2HD1 ILE 39 -6.102 1.333 -1.979 321 H ALA 40 H ALA 40 -6.569 6.767 -0.445 322 HA ALA 40 HA ALA 40 -5.624 6.790 2.163 323 HB1 ALA 40 3HB ALA 40 -5.164 9.249 1.708 324 HB2 ALA 40 1HB ALA 40 -4.464 8.086 0.582 325 HB3 ALA 40 2HB ALA 40 -5.913 8.987 0.133 326 H ASP 41 H ASP 41 -8.156 8.918 0.815 327 HA ASP 41 HA ASP 41 -8.981 10.339 2.915 328 HB2 ASP 41 1HB ASP 41 -10.084 9.968 0.562 329 HB3 ASP 41 2HB ASP 41 -11.124 8.853 1.442 330 H GLU 42 H GLU 42 -10.206 7.035 2.342 331 HA GLU 42 HA GLU 42 -11.700 6.718 4.626 332 HB2 GLU 42 1HB GLU 42 -10.208 4.847 2.856 333 HB3 GLU 42 2HB GLU 42 -10.787 4.222 4.394 334 HG2 GLU 42 1HG GLU 42 -12.595 5.663 2.486 335 HG3 GLU 42 2HG GLU 42 -12.287 3.932 2.362 336 H LEU 43 H LEU 43 -8.284 5.763 4.238 337 HA LEU 43 HA LEU 43 -7.777 4.926 6.812 338 HB2 LEU 43 1HB LEU 43 -5.888 6.463 5.036 339 HB3 LEU 43 2HB LEU 43 -5.436 5.428 6.389 340 HG LEU 43 HG LEU 43 -6.909 4.325 4.019 341 HD11 LEU 43 1HD1 LEU 43 -4.663 5.611 3.529 342 HD12 LEU 43 2HD1 LEU 43 -5.014 4.057 2.774 343 HD13 LEU 43 3HD1 LEU 43 -3.946 4.134 4.175 344 HD21 LEU 43 3HD2 LEU 43 -6.411 3.185 6.363 345 HD22 LEU 43 1HD2 LEU 43 -4.863 2.856 5.586 346 HD23 LEU 43 2HD2 LEU 43 -6.358 2.280 4.849 347 H GLY 44 H GLY 44 -7.078 8.193 5.542 348 HA2 GLY 44 1HA GLY 44 -7.752 10.171 6.736 349 HA3 GLY 44 2HA GLY 44 -7.656 9.250 8.230 350 H ASN 45 H ASN 45 -5.262 8.175 8.335 351 HA ASN 45 HA ASN 45 -3.535 10.440 8.696 352 HB2 ASN 45 1HB ASN 45 -1.931 8.777 9.583 353 HB3 ASN 45 2HB ASN 45 -3.519 8.635 10.331 354 HD21 ASN 45 1HD2 ASN 45 -1.312 6.697 9.986 355 HD22 ASN 45 2HD2 ASN 45 -2.026 5.330 9.208 356 H ARG 46 H ARG 46 -3.315 7.451 6.765 357 HA ARG 46 HA ARG 46 -0.979 8.241 5.372 358 HB2 ARG 46 1HB ARG 46 -3.088 6.170 4.755 359 HB3 ARG 46 2HB ARG 46 -1.633 6.385 3.792 360 HG2 ARG 46 1HG ARG 46 -1.706 5.673 6.717 361 HG3 ARG 46 2HG ARG 46 -1.408 4.552 5.386 362 HD2 ARG 46 1HD ARG 46 0.744 5.026 5.996 363 HD3 ARG 46 2HD ARG 46 0.481 6.291 4.796 364 HE ARG 46 HE ARG 46 -0.251 7.528 7.047 365 HH11 ARG 46 1HH1 ARG 46 2.542 5.593 6.292 366 HH12 ARG 46 2HH1 ARG 46 3.582 6.429 7.397 367 HH21 ARG 46 1HH2 ARG 46 1.107 8.636 8.506 368 HH22 ARG 46 2HH2 ARG 46 2.765 8.159 8.657 369 H THR 47 H THR 47 -0.938 8.441 2.937 370 HA THR 47 HA THR 47 -3.266 9.858 1.864 371 HB THR 47 HB THR 47 -1.819 11.619 2.741 372 HG1 THR 47 1HG THR 47 -1.288 11.866 0.028 373 HG21 THR 47 3HG2 THR 47 0.430 11.956 1.954 374 HG22 THR 47 1HG2 THR 47 0.299 10.583 0.856 375 HG23 THR 47 2HG2 THR 47 0.305 10.321 2.600 376 H ALA 48 H ALA 48 -3.210 10.102 -0.474 377 HA ALA 48 HA ALA 48 -2.837 7.883 -1.929 378 HB1 ALA 48 3HB ALA 48 -3.415 10.507 -2.533 379 HB2 ALA 48 1HB ALA 48 -1.972 10.177 -3.492 380 HB3 ALA 48 2HB ALA 48 -3.401 9.158 -3.669 381 H LYS 49 H LYS 49 -0.311 10.018 -0.852 382 HA LYS 49 HA LYS 49 1.724 8.986 -2.581 383 HB2 LYS 49 1HB LYS 49 1.559 11.240 -1.164 384 HB3 LYS 49 2HB LYS 49 2.428 10.265 0.015 385 HG2 LYS 49 1HG LYS 49 4.109 11.345 -1.168 386 HG3 LYS 49 2HG LYS 49 4.048 9.739 -1.898 387 HD2 LYS 49 1HD LYS 49 2.343 10.915 -3.528 388 HD3 LYS 49 2HD LYS 49 3.194 12.371 -3.006 389 HE2 LYS 49 1HE LYS 49 5.337 11.226 -3.625 390 HE3 LYS 49 2HE LYS 49 4.370 9.931 -4.328 391 HZ1 LYS 49 3HZ LYS 49 3.411 11.483 -5.869 392 HZ2 LYS 49 1HZ LYS 49 5.096 11.587 -5.969 393 HZ3 LYS 49 2HZ LYS 49 4.223 12.781 -5.148 394 H GLN 50 H GLN 50 1.595 8.857 0.978 395 HA GLN 50 HA GLN 50 3.396 6.803 1.329 396 HB2 GLN 50 1HB GLN 50 0.999 7.603 2.973 397 HB3 GLN 50 2HB GLN 50 2.131 6.362 3.494 398 HG2 GLN 50 1HG GLN 50 2.376 8.875 4.242 399 HG3 GLN 50 2HG GLN 50 3.780 7.851 3.944 400 HE21 GLN 50 1HE2 GLN 50 2.316 10.758 3.248 401 HE22 GLN 50 2HE2 GLN 50 3.249 11.206 1.866 402 H VAL 51 H VAL 51 -0.042 6.616 0.610 403 HA VAL 51 HA VAL 51 -0.390 3.859 1.051 404 HB VAL 51 HB VAL 51 -1.856 5.692 -0.851 405 HG11 VAL 51 1HG1 VAL 51 -3.623 4.019 -0.858 406 HG12 VAL 51 2HG1 VAL 51 -2.118 3.333 -1.471 407 HG13 VAL 51 3HG1 VAL 51 -2.651 2.967 0.170 408 HG21 VAL 51 3HG2 VAL 51 -2.053 5.126 2.043 409 HG22 VAL 51 1HG2 VAL 51 -2.446 6.590 1.141 410 HG23 VAL 51 2HG2 VAL 51 -3.575 5.234 1.159 411 H ALA 52 H ALA 52 0.291 5.654 -1.948 412 HA ALA 52 HA ALA 52 0.363 3.536 -3.724 413 HB1 ALA 52 3HB ALA 52 1.029 6.259 -3.782 414 HB2 ALA 52 1HB ALA 52 2.450 5.395 -4.371 415 HB3 ALA 52 2HB ALA 52 0.885 5.155 -5.149 416 H SER 53 H SER 53 3.062 4.878 -1.827 417 HA SER 53 HA SER 53 5.016 3.079 -2.747 418 HB2 SER 53 1HB SER 53 6.260 3.745 -0.667 419 HB3 SER 53 2HB SER 53 5.694 5.105 -1.636 420 HG SER 53 HG SER 53 4.861 4.230 0.873 421 H GLN 54 H GLN 54 2.544 2.796 -0.320 422 HA GLN 54 HA GLN 54 3.674 0.499 0.974 423 HB2 GLN 54 1HB GLN 54 2.025 2.185 1.975 424 HB3 GLN 54 2HB GLN 54 0.781 1.330 1.073 425 HG2 GLN 54 1HG GLN 54 0.872 0.556 3.364 426 HG3 GLN 54 2HG GLN 54 1.330 -0.731 2.251 427 HE21 GLN 54 1HE2 GLN 54 2.110 -1.414 4.521 428 HE22 GLN 54 2HE2 GLN 54 3.762 -1.050 4.873 429 H VAL 55 H VAL 55 1.245 1.064 -1.521 430 HA VAL 55 HA VAL 55 0.389 -1.638 -1.723 431 HB VAL 55 HB VAL 55 0.208 0.597 -3.748 432 HG11 VAL 55 1HG1 VAL 55 -0.100 -2.040 -4.291 433 HG12 VAL 55 2HG1 VAL 55 -1.743 -1.600 -3.818 434 HG13 VAL 55 3HG1 VAL 55 -0.944 -0.744 -5.138 435 HG21 VAL 55 3HG2 VAL 55 -0.937 1.102 -1.651 436 HG22 VAL 55 1HG2 VAL 55 -2.095 0.827 -2.953 437 HG23 VAL 55 2HG2 VAL 55 -1.808 -0.429 -1.749 438 H GLN 56 H GLN 56 2.689 0.324 -3.587 439 HA GLN 56 HA GLN 56 3.371 -1.538 -5.527 440 HB2 GLN 56 1HB GLN 56 5.322 -0.242 -5.928 441 HB3 GLN 56 2HB GLN 56 4.074 0.885 -5.413 442 HG2 GLN 56 1HG GLN 56 5.039 1.148 -3.287 443 HG3 GLN 56 2HG GLN 56 6.087 -0.253 -3.504 444 HE21 GLN 56 1HE2 GLN 56 5.367 2.688 -5.362 445 HE22 GLN 56 2HE2 GLN 56 7.015 3.153 -5.588 446 H LYS 57 H LYS 57 4.533 -1.194 -2.224 447 HA LYS 57 HA LYS 57 6.435 -3.369 -2.560 448 HB2 LYS 57 1HB LYS 57 5.770 -1.515 -0.283 449 HB3 LYS 57 2HB LYS 57 6.813 -2.913 -0.060 450 HG2 LYS 57 1HG LYS 57 8.525 -2.005 -1.258 451 HG3 LYS 57 2HG LYS 57 7.451 -1.038 -2.271 452 HD2 LYS 57 1HD LYS 57 7.010 0.441 -0.351 453 HD3 LYS 57 2HD LYS 57 8.137 -0.509 0.621 454 HE2 LYS 57 1HE LYS 57 9.940 0.055 -0.949 455 HE3 LYS 57 2HE LYS 57 8.808 1.025 -1.890 456 HZ1 LYS 57 3HZ LYS 57 9.842 1.539 0.831 457 HZ2 LYS 57 1HZ LYS 57 8.436 2.292 0.265 458 HZ3 LYS 57 2HZ LYS 57 9.907 2.543 -0.530 459 H TYR 58 H TYR 58 3.397 -3.630 -2.631 460 HA TYR 58 HA TYR 58 3.167 -5.699 -0.544 461 HB2 TYR 58 1HB TYR 58 1.238 -3.680 -1.565 462 HB3 TYR 58 2HB TYR 58 0.595 -5.267 -1.158 463 HD1 TYR 58 1HD TYR 58 3.459 -3.827 0.627 464 HD2 TYR 58 2HD TYR 58 -0.750 -4.441 0.671 465 HE1 TYR 58 1HE TYR 58 3.397 -3.188 3.001 466 HE2 TYR 58 2HE TYR 58 -0.825 -3.802 3.045 467 HH TYR 58 HH TYR 58 0.383 -3.317 4.860 468 H PHE 59 H PHE 59 2.175 -4.829 -3.842 469 HA PHE 59 HA PHE 59 1.533 -7.612 -4.418 470 HB2 PHE 59 1HB PHE 59 1.260 -5.098 -6.076 471 HB3 PHE 59 2HB PHE 59 0.800 -6.704 -6.632 472 HD1 PHE 59 2HD PHE 59 0.259 -4.690 -3.532 473 HD2 PHE 59 1HD PHE 59 -1.457 -7.059 -6.624 474 HE1 PHE 59 2HE PHE 59 -1.963 -4.399 -2.517 475 HE2 PHE 59 1HE PHE 59 -3.682 -6.771 -5.615 476 HZ PHE 59 HZ PHE 59 -3.937 -5.441 -3.558 477 H ILE 60 H ILE 60 3.953 -5.199 -5.139 478 HA ILE 60 HA ILE 60 5.241 -6.862 -7.139 479 HB ILE 60 HB ILE 60 6.361 -4.330 -5.959 480 HG12 ILE 60 1HG1 ILE 60 4.605 -4.459 -8.408 481 HG13 ILE 60 2HG1 ILE 60 3.961 -4.100 -6.809 482 HG21 ILE 60 1HG2 ILE 60 6.771 -5.833 -8.531 483 HG22 ILE 60 2HG2 ILE 60 7.326 -4.177 -8.291 484 HG23 ILE 60 3HG2 ILE 60 7.956 -5.473 -7.275 485 HD11 ILE 60 3HD1 ILE 60 6.177 -2.512 -8.065 486 HD12 ILE 60 1HD1 ILE 60 4.470 -2.124 -8.278 487 HD13 ILE 60 2HD1 ILE 60 5.188 -2.092 -6.667 488 H LYS 61 H LYS 61 5.579 -6.053 -3.768 489 HA LYS 61 HA LYS 61 8.235 -6.859 -3.357 490 HB2 LYS 61 1HB LYS 61 7.730 -6.881 -1.037 491 HB3 LYS 61 2HB LYS 61 6.749 -5.602 -1.741 492 HG2 LYS 61 1HG LYS 61 4.793 -6.704 -1.373 493 HG3 LYS 61 2HG LYS 61 5.537 -8.299 -1.506 494 HD2 LYS 61 1HD LYS 61 6.515 -8.083 0.682 495 HD3 LYS 61 2HD LYS 61 5.967 -6.410 0.807 496 HE2 LYS 61 1HE LYS 61 3.615 -7.284 0.596 497 HE3 LYS 61 2HE LYS 61 4.283 -8.907 0.765 498 HZ1 LYS 61 3HZ LYS 61 4.368 -6.710 2.755 499 HZ2 LYS 61 1HZ LYS 61 5.265 -8.137 2.907 500 HZ3 LYS 61 2HZ LYS 61 3.575 -8.198 2.896 501 H LEU 62 H LEU 62 5.292 -8.676 -3.727 502 HA LEU 62 HA LEU 62 6.482 -11.144 -2.778 503 HB2 LEU 62 1HB LEU 62 4.370 -12.126 -3.071 504 HB3 LEU 62 2HB LEU 62 4.061 -10.502 -2.460 505 HG LEU 62 HG LEU 62 3.784 -9.954 -5.024 506 HD11 LEU 62 1HD1 LEU 62 2.639 -11.885 -6.140 507 HD12 LEU 62 2HD1 LEU 62 3.276 -12.917 -4.859 508 HD13 LEU 62 3HD1 LEU 62 4.382 -12.066 -5.938 509 HD21 LEU 62 3HD2 LEU 62 1.570 -9.803 -4.587 510 HD22 LEU 62 1HD2 LEU 62 2.108 -10.153 -2.944 511 HD23 LEU 62 2HD2 LEU 62 1.468 -11.448 -3.956 512 H THR 63 H THR 63 5.600 -9.631 -5.831 513 HA THR 63 HA THR 63 5.777 -11.676 -7.624 514 HB THR 63 HB THR 63 7.065 -8.976 -8.058 515 HG1 THR 63 1HG THR 63 4.426 -9.550 -8.829 516 HG21 THR 63 3HG2 THR 63 5.972 -11.081 -9.915 517 HG22 THR 63 1HG2 THR 63 7.605 -10.419 -9.864 518 HG23 THR 63 2HG2 THR 63 6.264 -9.417 -10.420 519 H LYS 64 H LYS 64 7.281 -13.068 -8.292 520 HA LYS 64 HA LYS 64 9.842 -13.147 -7.046 521 HB2 LYS 64 1HB LYS 64 8.432 -14.785 -9.115 522 HB3 LYS 64 2HB LYS 64 10.164 -14.995 -8.892 523 HG2 LYS 64 1HG LYS 64 9.563 -15.273 -6.390 524 HG3 LYS 64 2HG LYS 64 7.932 -15.575 -6.994 525 HD2 LYS 64 1HD LYS 64 10.285 -17.039 -8.134 526 HD3 LYS 64 2HD LYS 64 9.525 -17.581 -6.636 527 HE2 LYS 64 1HE LYS 64 8.443 -18.810 -8.303 528 HE3 LYS 64 2HE LYS 64 7.325 -17.495 -7.944 529 HZ1 LYS 64 3HZ LYS 64 9.045 -16.616 -9.954 530 HZ2 LYS 64 1HZ LYS 64 7.388 -16.937 -10.070 531 HZ3 LYS 64 2HZ LYS 64 8.511 -18.158 -10.401 532 H ALA 65 H ALA 65 8.842 -12.692 -10.438 533 HA ALA 65 HA ALA 65 11.483 -11.987 -11.287 534 HB1 ALA 65 3HB ALA 65 9.757 -13.057 -12.746 535 HB2 ALA 65 1HB ALA 65 8.903 -11.514 -12.767 536 HB3 ALA 65 2HB ALA 65 10.527 -11.633 -13.444 537 H GLY 66 H GLY 66 11.767 -9.872 -12.573 538 HA2 GLY 66 1HA GLY 66 12.054 -7.597 -12.439 539 HA3 GLY 66 2HA GLY 66 10.338 -7.554 -12.065 540 H ILE 67 H ILE 67 13.123 -8.821 -10.248 541 HA ILE 67 HA ILE 67 12.380 -6.997 -8.053 542 HB ILE 67 HB ILE 67 13.336 -9.848 -7.941 543 HG12 ILE 67 1HG1 ILE 67 10.892 -9.371 -8.090 544 HG13 ILE 67 2HG1 ILE 67 11.352 -10.195 -6.605 545 HG21 ILE 67 1HG2 ILE 67 13.171 -9.231 -5.349 546 HG22 ILE 67 2HG2 ILE 67 14.673 -9.116 -6.265 547 HG23 ILE 67 3HG2 ILE 67 13.705 -7.671 -5.974 548 HD11 ILE 67 3HD1 ILE 67 9.910 -7.797 -6.902 549 HD12 ILE 67 1HD1 ILE 67 10.413 -8.594 -5.412 550 HD13 ILE 67 2HD1 ILE 67 11.457 -7.387 -6.162 551 HA PRO 68 HA PRO 68 16.481 -5.396 -8.610 552 HB2 PRO 68 1HB PRO 68 16.480 -3.777 -6.431 553 HB3 PRO 68 2HB PRO 68 15.613 -3.384 -7.920 554 HG2 PRO 68 1HG PRO 68 14.568 -4.559 -5.373 555 HG3 PRO 68 2HG PRO 68 13.861 -3.293 -6.394 556 HD2 PRO 68 1HD PRO 68 13.018 -5.865 -6.468 557 HD3 PRO 68 2HD PRO 68 12.999 -4.813 -7.898 558 H VAL 69 H VAL 69 17.997 -6.929 -8.217 559 HA VAL 69 HA VAL 69 18.394 -8.665 -6.232 560 HB VAL 69 HB VAL 69 19.943 -8.390 -8.135 561 HG11 VAL 69 1HG1 VAL 69 20.306 -6.047 -8.191 562 HG12 VAL 69 2HG1 VAL 69 20.913 -6.033 -6.534 563 HG13 VAL 69 3HG1 VAL 69 21.860 -6.789 -7.815 564 HG21 VAL 69 3HG2 VAL 69 21.702 -8.290 -5.742 565 HG22 VAL 69 1HG2 VAL 69 20.459 -9.539 -5.809 566 HG23 VAL 69 2HG2 VAL 69 21.678 -9.437 -7.080 567 H SER 70 H SER 70 19.101 -8.751 -4.147 568 HA SER 70 HA SER 70 18.583 -6.772 -2.360 569 HB2 SER 70 1HB SER 70 20.584 -9.020 -2.244 570 HB3 SER 70 2HB SER 70 20.357 -7.925 -0.881 571 HG SER 70 HG SER 70 19.045 -9.899 -0.890 572 H GLY 71 H GLY 71 19.746 -5.168 -1.275 573 HA2 GLY 71 1HA GLY 71 22.292 -4.384 -2.555 574 HA3 GLY 71 2HA GLY 71 21.033 -3.210 -2.202 575 HA PRO 72 HA PRO 72 24.027 -4.046 1.459 576 HB2 PRO 72 1HB PRO 72 25.860 -2.087 1.045 577 HB3 PRO 72 2HB PRO 72 26.050 -3.729 0.417 578 HG2 PRO 72 1HG PRO 72 25.089 -1.264 -0.985 579 HG3 PRO 72 2HG PRO 72 26.202 -2.518 -1.562 580 HD2 PRO 72 1HD PRO 72 23.594 -2.439 -2.286 581 HD3 PRO 72 2HD PRO 72 24.491 -3.961 -2.111 582 H SER 73 H SER 73 22.490 -1.350 -0.055 583 HA SER 73 HA SER 73 22.770 0.704 1.741 584 HB2 SER 73 1HB SER 73 21.512 0.955 -0.332 585 HB3 SER 73 2HB SER 73 20.255 -0.124 0.271 586 HG SER 73 HG SER 73 20.169 1.526 2.075 587 H SER 74 H SER 74 22.626 0.637 3.880 588 HA SER 74 HA SER 74 20.191 -0.347 5.118 589 HB2 SER 74 1HB SER 74 21.972 -2.238 4.970 590 HB3 SER 74 2HB SER 74 22.792 -1.343 6.249 591 HG SER 74 HG SER 74 21.299 -1.931 7.627 592 H GLY 75 H GLY 75 20.470 -0.043 7.643 593 HA2 GLY 75 1HA GLY 75 20.980 2.747 8.017 594 HA3 GLY 75 2HA GLY 75 20.483 1.604 9.257 Start of MODEL 13 1 H1 GLY 1 H GLY 1 24.148 6.356 -6.294 2 HA2 GLY 1 1HA GLY 1 26.063 4.383 -5.744 3 HA3 GLY 1 2HA GLY 1 26.687 5.919 -5.162 4 H SER 2 H SER 2 25.729 6.920 -3.396 5 HA SER 2 HA SER 2 23.666 5.345 -2.003 6 HB2 SER 2 1HB SER 2 26.138 6.628 -0.821 7 HB3 SER 2 2HB SER 2 24.802 5.996 0.142 8 HG SER 2 HG SER 2 26.191 4.329 0.010 9 H SER 3 H SER 3 21.892 6.568 -2.163 10 HA SER 3 HA SER 3 22.088 9.468 -1.925 11 HB2 SER 3 1HB SER 3 20.679 8.288 -3.700 12 HB3 SER 3 2HB SER 3 19.570 7.871 -2.394 13 HG SER 3 HG SER 3 19.192 10.033 -2.044 14 H GLY 4 H GLY 4 20.436 10.599 -0.572 15 HA2 GLY 4 1HA GLY 4 20.619 9.672 2.119 16 HA3 GLY 4 2HA GLY 4 19.751 11.097 1.569 17 H SER 5 H SER 5 17.586 10.834 0.763 18 HA SER 5 HA SER 5 15.446 10.166 1.289 19 HB2 SER 5 1HB SER 5 14.872 8.042 0.237 20 HB3 SER 5 2HB SER 5 16.028 8.912 -0.772 21 HG SER 5 HG SER 5 16.341 6.561 0.681 22 H SER 6 H SER 6 16.977 10.128 3.594 23 HA SER 6 HA SER 6 16.472 7.590 4.931 24 HB2 SER 6 1HB SER 6 17.741 8.506 6.781 25 HB3 SER 6 2HB SER 6 18.619 8.816 5.283 26 HG SER 6 HG SER 6 17.972 10.578 7.061 27 H GLY 7 H GLY 7 14.785 7.203 6.220 28 HA2 GLY 7 1HA GLY 7 13.509 8.544 8.090 29 HA3 GLY 7 2HA GLY 7 12.882 9.379 6.676 30 H ASN 8 H ASN 8 13.570 5.934 7.205 31 HA ASN 8 HA ASN 8 11.509 4.851 5.817 32 HB2 ASN 8 1HB ASN 8 12.353 3.772 8.509 33 HB3 ASN 8 2HB ASN 8 11.741 2.863 7.130 34 HD21 ASN 8 1HD2 ASN 8 13.297 1.672 6.318 35 HD22 ASN 8 2HD2 ASN 8 14.931 2.168 6.055 36 H GLN 9 H GLN 9 9.361 4.427 6.093 37 HA GLN 9 HA GLN 9 8.089 5.615 8.470 38 HB2 GLN 9 1HB GLN 9 7.035 5.446 5.642 39 HB3 GLN 9 2HB GLN 9 6.116 6.038 7.020 40 HG2 GLN 9 1HG GLN 9 8.706 7.259 6.108 41 HG3 GLN 9 2HG GLN 9 7.122 7.798 5.553 42 HE21 GLN 9 1HE2 GLN 9 7.088 9.787 6.446 43 HE22 GLN 9 2HE2 GLN 9 7.132 10.092 8.146 44 H LEU 10 H LEU 10 7.781 3.854 9.739 45 HA LEU 10 HA LEU 10 6.957 1.316 8.725 46 HB2 LEU 10 1HB LEU 10 7.401 2.513 11.407 47 HB3 LEU 10 2HB LEU 10 6.416 1.055 11.308 48 HG LEU 10 HG LEU 10 8.397 0.030 10.046 49 HD11 LEU 10 1HD1 LEU 10 10.289 1.706 11.450 50 HD12 LEU 10 2HD1 LEU 10 9.377 2.616 10.246 51 HD13 LEU 10 3HD1 LEU 10 10.279 1.178 9.767 52 HD21 LEU 10 3HD2 LEU 10 8.922 0.738 12.921 53 HD22 LEU 10 1HD2 LEU 10 9.364 -0.736 12.059 54 HD23 LEU 10 2HD2 LEU 10 7.672 -0.406 12.431 55 H TRP 11 H TRP 11 4.961 0.219 9.290 56 HA TRP 11 HA TRP 11 2.684 2.085 9.407 57 HB2 TRP 11 1HB TRP 11 3.148 -0.434 7.869 58 HB3 TRP 11 2HB TRP 11 1.504 -0.044 8.366 59 HD1 TRP 11 HD TRP 11 4.296 2.216 6.873 60 HE1 TRP 11 1HE TRP 11 3.297 3.465 4.856 61 HE3 TRP 11 3HE TRP 11 -0.390 0.172 6.890 62 HZ2 TRP 11 2HZ TRP 11 0.848 3.570 3.457 63 HZ3 TRP 11 3HZ TRP 11 -2.001 0.901 5.179 64 HH2 TRP 11 HH TRP 11 -1.393 2.565 3.499 65 H THR 12 H THR 12 0.731 1.280 10.460 66 HA THR 12 HA THR 12 1.402 -0.441 12.750 67 HB THR 12 HB THR 12 0.732 1.794 13.421 68 HG1 THR 12 1HG THR 12 -0.031 -0.101 14.624 69 HG21 THR 12 3HG2 THR 12 -0.959 1.704 11.236 70 HG22 THR 12 1HG2 THR 12 -0.920 2.966 12.466 71 HG23 THR 12 2HG2 THR 12 -2.059 1.627 12.612 72 H VAL 13 H VAL 13 0.112 -2.159 13.308 73 HA VAL 13 HA VAL 13 -1.019 -3.799 11.542 74 HB VAL 13 HB VAL 13 -2.074 -3.257 14.317 75 HG11 VAL 13 1HG1 VAL 13 -3.171 -5.416 14.208 76 HG12 VAL 13 2HG1 VAL 13 -3.773 -4.368 12.921 77 HG13 VAL 13 3HG1 VAL 13 -2.611 -5.643 12.552 78 HG21 VAL 13 3HG2 VAL 13 -0.592 -5.721 13.722 79 HG22 VAL 13 1HG2 VAL 13 0.349 -4.236 13.581 80 HG23 VAL 13 2HG2 VAL 13 -0.466 -4.624 15.097 81 H GLU 14 H GLU 14 -2.900 -1.294 13.244 82 HA GLU 14 HA GLU 14 -5.373 -1.673 12.162 83 HB2 GLU 14 1HB GLU 14 -3.940 0.902 12.801 84 HB3 GLU 14 2HB GLU 14 -5.630 0.856 12.319 85 HG2 GLU 14 1HG GLU 14 -6.217 -0.431 14.241 86 HG3 GLU 14 2HG GLU 14 -4.523 -0.644 14.678 87 H GLU 15 H GLU 15 -2.969 0.579 10.784 88 HA GLU 15 HA GLU 15 -4.370 1.045 8.398 89 HB2 GLU 15 1HB GLU 15 -1.437 1.292 9.067 90 HB3 GLU 15 2HB GLU 15 -2.120 1.808 7.531 91 HG2 GLU 15 1HG GLU 15 -1.775 3.500 9.495 92 HG3 GLU 15 2HG GLU 15 -3.185 3.603 8.442 93 H GLN 16 H GLN 16 -1.649 -1.150 9.068 94 HA GLN 16 HA GLN 16 -1.070 -2.237 6.695 95 HB2 GLN 16 1HB GLN 16 -1.380 -3.468 9.392 96 HB3 GLN 16 2HB GLN 16 -1.119 -4.537 8.020 97 HG2 GLN 16 1HG GLN 16 0.862 -2.933 7.499 98 HG3 GLN 16 2HG GLN 16 0.697 -2.489 9.197 99 HE21 GLN 16 1HE2 GLN 16 3.020 -3.543 8.491 100 HE22 GLN 16 2HE2 GLN 16 3.175 -5.172 9.044 101 H LYS 17 H LYS 17 -3.603 -3.761 8.690 102 HA LYS 17 HA LYS 17 -4.692 -5.227 6.530 103 HB2 LYS 17 1HB LYS 17 -6.573 -5.685 8.085 104 HB3 LYS 17 2HB LYS 17 -4.996 -5.999 8.797 105 HG2 LYS 17 1HG LYS 17 -5.143 -3.713 9.845 106 HG3 LYS 17 2HG LYS 17 -6.826 -3.674 9.316 107 HD2 LYS 17 1HD LYS 17 -7.372 -5.567 10.657 108 HD3 LYS 17 2HD LYS 17 -5.672 -5.882 11.011 109 HE2 LYS 17 1HE LYS 17 -6.630 -4.850 12.935 110 HE3 LYS 17 2HE LYS 17 -5.589 -3.659 12.157 111 HZ1 LYS 17 3HZ LYS 17 -7.550 -2.667 11.144 112 HZ2 LYS 17 1HZ LYS 17 -7.685 -2.680 12.830 113 HZ3 LYS 17 2HZ LYS 17 -8.545 -3.805 11.904 114 H LYS 18 H LYS 18 -5.918 -2.364 8.263 115 HA LYS 18 HA LYS 18 -8.234 -1.834 6.997 116 HB2 LYS 18 1HB LYS 18 -7.194 -0.395 8.732 117 HB3 LYS 18 2HB LYS 18 -6.100 0.245 7.513 118 HG2 LYS 18 1HG LYS 18 -7.765 1.437 6.451 119 HG3 LYS 18 2HG LYS 18 -9.052 0.418 7.100 120 HD2 LYS 18 1HD LYS 18 -8.398 1.341 9.387 121 HD3 LYS 18 2HD LYS 18 -7.464 2.552 8.504 122 HE2 LYS 18 1HE LYS 18 -9.578 3.521 8.973 123 HE3 LYS 18 2HE LYS 18 -9.575 3.113 7.258 124 HZ1 LYS 18 3HZ LYS 18 -11.481 2.401 9.064 125 HZ2 LYS 18 1HZ LYS 18 -10.569 0.986 8.896 126 HZ3 LYS 18 2HZ LYS 18 -11.262 1.712 7.535 127 H LEU 19 H LEU 19 -5.018 -1.377 5.644 128 HA LEU 19 HA LEU 19 -5.923 -0.077 3.265 129 HB2 LEU 19 1HB LEU 19 -3.720 0.404 3.785 130 HB3 LEU 19 2HB LEU 19 -3.345 -1.270 4.189 131 HG LEU 19 HG LEU 19 -3.397 -1.837 1.792 132 HD11 LEU 19 1HD1 LEU 19 -3.317 0.107 0.187 133 HD12 LEU 19 2HD1 LEU 19 -3.948 1.105 1.497 134 HD13 LEU 19 3HD1 LEU 19 -4.897 -0.251 0.886 135 HD21 LEU 19 3HD2 LEU 19 -1.534 0.453 1.876 136 HD22 LEU 19 1HD2 LEU 19 -1.236 -1.244 1.496 137 HD23 LEU 19 2HD2 LEU 19 -1.384 -0.730 3.177 138 H GLU 20 H GLU 20 -4.527 -3.318 3.813 139 HA GLU 20 HA GLU 20 -4.823 -4.439 1.363 140 HB2 GLU 20 1HB GLU 20 -5.300 -5.661 4.078 141 HB3 GLU 20 2HB GLU 20 -5.321 -6.615 2.601 142 HG2 GLU 20 1HG GLU 20 -2.985 -5.529 2.203 143 HG3 GLU 20 2HG GLU 20 -3.038 -5.252 3.943 144 H GLN 21 H GLN 21 -7.372 -4.065 3.792 145 HA GLN 21 HA GLN 21 -9.382 -5.402 2.305 146 HB2 GLN 21 1HB GLN 21 -9.556 -3.396 4.555 147 HB3 GLN 21 2HB GLN 21 -10.950 -4.230 3.883 148 HG2 GLN 21 1HG GLN 21 -9.631 -6.381 4.434 149 HG3 GLN 21 2HG GLN 21 -8.688 -5.332 5.490 150 HE21 GLN 21 1HE2 GLN 21 -11.910 -6.543 4.811 151 HE22 GLN 21 2HE2 GLN 21 -12.543 -6.295 6.399 152 H LEU 22 H LEU 22 -8.606 -1.962 2.743 153 HA LEU 22 HA LEU 22 -10.670 -0.884 1.221 154 HB2 LEU 22 1HB LEU 22 -7.882 0.051 1.812 155 HB3 LEU 22 2HB LEU 22 -8.973 0.999 0.804 156 HG LEU 22 HG LEU 22 -9.591 0.188 3.641 157 HD11 LEU 22 1HD1 LEU 22 -8.748 2.180 4.427 158 HD12 LEU 22 2HD1 LEU 22 -8.805 2.955 2.844 159 HD13 LEU 22 3HD1 LEU 22 -7.558 1.758 3.195 160 HD21 LEU 22 3HD2 LEU 22 -10.825 2.276 1.848 161 HD22 LEU 22 1HD2 LEU 22 -11.324 1.867 3.490 162 HD23 LEU 22 2HD2 LEU 22 -11.520 0.691 2.189 163 H LEU 23 H LEU 23 -7.462 -2.002 0.217 164 HA LEU 23 HA LEU 23 -7.397 -1.190 -2.399 165 HB2 LEU 23 1HB LEU 23 -6.381 -3.633 -1.014 166 HB3 LEU 23 2HB LEU 23 -6.216 -3.489 -2.762 167 HG LEU 23 HG LEU 23 -5.200 -1.312 -0.980 168 HD11 LEU 23 1HD1 LEU 23 -4.286 -4.026 -0.943 169 HD12 LEU 23 2HD1 LEU 23 -3.697 -2.635 -0.032 170 HD13 LEU 23 3HD1 LEU 23 -3.042 -2.982 -1.632 171 HD21 LEU 23 3HD2 LEU 23 -4.907 -0.570 -3.096 172 HD22 LEU 23 1HD2 LEU 23 -4.898 -2.195 -3.783 173 HD23 LEU 23 2HD2 LEU 23 -3.452 -1.562 -2.996 174 H ILE 24 H ILE 24 -8.812 -4.228 -1.188 175 HA ILE 24 HA ILE 24 -9.800 -5.111 -3.668 176 HB ILE 24 HB ILE 24 -10.858 -5.728 -0.906 177 HG12 ILE 24 1HG1 ILE 24 -9.069 -7.508 -2.530 178 HG13 ILE 24 2HG1 ILE 24 -8.377 -6.218 -1.553 179 HG21 ILE 24 1HG2 ILE 24 -11.871 -7.680 -1.886 180 HG22 ILE 24 2HG2 ILE 24 -12.426 -6.248 -2.751 181 HG23 ILE 24 3HG2 ILE 24 -11.192 -7.286 -3.465 182 HD11 ILE 24 3HD1 ILE 24 -9.808 -8.686 -0.693 183 HD12 ILE 24 1HD1 ILE 24 -8.273 -8.022 -0.135 184 HD13 ILE 24 2HD1 ILE 24 -9.791 -7.267 0.352 185 H LYS 25 H LYS 25 -11.295 -3.200 -1.089 186 HA LYS 25 HA LYS 25 -13.896 -3.081 -2.031 187 HB2 LYS 25 1HB LYS 25 -13.343 -2.191 0.132 188 HB3 LYS 25 2HB LYS 25 -12.261 -0.999 -0.577 189 HG2 LYS 25 1HG LYS 25 -14.270 -0.014 -1.723 190 HG3 LYS 25 2HG LYS 25 -15.262 -1.086 -0.732 191 HD2 LYS 25 1HD LYS 25 -14.400 -0.074 1.290 192 HD3 LYS 25 2HD LYS 25 -13.291 0.928 0.350 193 HE2 LYS 25 1HE LYS 25 -14.959 2.319 -0.388 194 HE3 LYS 25 2HE LYS 25 -16.203 1.078 -0.250 195 HZ1 LYS 25 3HZ LYS 25 -16.751 1.895 1.717 196 HZ2 LYS 25 1HZ LYS 25 -15.561 3.090 1.580 197 HZ3 LYS 25 2HZ LYS 25 -15.191 1.608 2.307 198 H TYR 26 H TYR 26 -11.297 -0.717 -2.660 199 HA TYR 26 HA TYR 26 -12.844 0.577 -4.715 200 HB2 TYR 26 1HB TYR 26 -10.035 0.950 -3.686 201 HB3 TYR 26 2HB TYR 26 -10.658 1.856 -5.060 202 HD1 TYR 26 1HD TYR 26 -12.618 3.384 -4.730 203 HD2 TYR 26 2HD TYR 26 -10.591 1.558 -1.465 204 HE1 TYR 26 1HE TYR 26 -13.610 5.035 -3.200 205 HE2 TYR 26 2HE TYR 26 -11.578 3.203 0.075 206 HH TYR 26 HH TYR 26 -13.941 5.581 -1.044 207 HA PRO 27 HA PRO 27 -11.534 -2.241 -7.901 208 HB2 PRO 27 1HB PRO 27 -12.760 -0.941 -9.945 209 HB3 PRO 27 2HB PRO 27 -13.632 -1.959 -8.793 210 HG2 PRO 27 1HG PRO 27 -13.350 1.021 -8.853 211 HG3 PRO 27 2HG PRO 27 -14.790 0.040 -8.526 212 HD2 PRO 27 1HD PRO 27 -13.332 1.187 -6.555 213 HD3 PRO 27 2HD PRO 27 -14.178 -0.359 -6.340 214 HA PRO 28 HA PRO 28 -8.016 -0.359 -9.758 215 HB2 PRO 28 1HB PRO 28 -7.858 -1.727 -12.097 216 HB3 PRO 28 2HB PRO 28 -7.455 -2.447 -10.534 217 HG2 PRO 28 1HG PRO 28 -9.977 -2.674 -12.132 218 HG3 PRO 28 2HG PRO 28 -9.088 -3.936 -11.259 219 HD2 PRO 28 1HD PRO 28 -11.306 -2.754 -10.251 220 HD3 PRO 28 2HD PRO 28 -9.980 -3.330 -9.221 221 H GLU 29 H GLU 29 -7.489 1.324 -11.074 222 HA GLU 29 HA GLU 29 -9.444 2.118 -13.126 223 HB2 GLU 29 1HB GLU 29 -8.878 4.509 -12.495 224 HB3 GLU 29 2HB GLU 29 -9.861 3.616 -11.343 225 HG2 GLU 29 1HG GLU 29 -7.791 5.076 -10.595 226 HG3 GLU 29 2HG GLU 29 -8.243 3.590 -9.761 227 H GLU 30 H GLU 30 -8.268 4.208 -14.278 228 HA GLU 30 HA GLU 30 -5.977 3.003 -15.579 229 HB2 GLU 30 1HB GLU 30 -6.184 5.264 -16.916 230 HB3 GLU 30 2HB GLU 30 -7.316 3.947 -17.189 231 HG2 GLU 30 1HG GLU 30 -8.997 5.002 -15.902 232 HG3 GLU 30 2HG GLU 30 -7.862 6.198 -15.277 233 H VAL 31 H VAL 31 -6.677 5.693 -13.447 234 HA VAL 31 HA VAL 31 -3.824 6.423 -13.452 235 HB VAL 31 HB VAL 31 -6.217 8.041 -12.567 236 HG11 VAL 31 1HG1 VAL 31 -3.535 8.220 -11.721 237 HG12 VAL 31 2HG1 VAL 31 -3.813 9.566 -12.828 238 HG13 VAL 31 3HG1 VAL 31 -4.849 9.356 -11.416 239 HG21 VAL 31 3HG2 VAL 31 -6.336 8.468 -14.765 240 HG22 VAL 31 1HG2 VAL 31 -4.907 9.466 -14.499 241 HG23 VAL 31 2HG2 VAL 31 -4.730 7.809 -15.076 242 H GLU 32 H GLU 32 -3.172 4.792 -12.007 243 HA GLU 32 HA GLU 32 -4.185 3.885 -9.703 244 HB2 GLU 32 1HB GLU 32 -1.897 3.681 -8.813 245 HB3 GLU 32 2HB GLU 32 -1.993 3.205 -10.503 246 HG2 GLU 32 1HG GLU 32 -1.254 6.011 -9.884 247 HG3 GLU 32 2HG GLU 32 -0.059 4.747 -9.594 248 H SER 33 H SER 33 -3.018 7.124 -10.235 249 HA SER 33 HA SER 33 -2.629 8.063 -7.678 250 HB2 SER 33 1HB SER 33 -2.533 9.248 -10.048 251 HB3 SER 33 2HB SER 33 -4.143 9.797 -9.583 252 HG SER 33 HG SER 33 -3.138 11.250 -8.460 253 H ARG 34 H ARG 34 -5.667 8.656 -9.442 254 HA ARG 34 HA ARG 34 -7.218 9.431 -7.320 255 HB2 ARG 34 1HB ARG 34 -9.131 8.959 -8.650 256 HB3 ARG 34 2HB ARG 34 -7.852 9.423 -9.764 257 HG2 ARG 34 1HG ARG 34 -7.441 7.069 -10.276 258 HG3 ARG 34 2HG ARG 34 -8.730 6.607 -9.162 259 HD2 ARG 34 1HD ARG 34 -9.367 8.560 -11.309 260 HD3 ARG 34 2HD ARG 34 -9.150 6.871 -11.764 261 HE ARG 34 HE ARG 34 -10.951 7.333 -9.548 262 HH11 ARG 34 1HH1 ARG 34 -10.606 6.931 -12.989 263 HH12 ARG 34 2HH1 ARG 34 -12.255 6.459 -13.230 264 HH21 ARG 34 1HH2 ARG 34 -13.124 6.713 -9.853 265 HH22 ARG 34 2HH2 ARG 34 -13.687 6.336 -11.446 266 H ARG 35 H ARG 35 -6.295 6.187 -8.249 267 HA ARG 35 HA ARG 35 -8.152 4.775 -6.661 268 HB2 ARG 35 1HB ARG 35 -6.695 3.852 -8.527 269 HB3 ARG 35 2HB ARG 35 -5.374 3.835 -7.365 270 HG2 ARG 35 1HG ARG 35 -6.816 2.384 -5.906 271 HG3 ARG 35 2HG ARG 35 -7.931 2.259 -7.269 272 HD2 ARG 35 1HD ARG 35 -6.458 1.021 -8.533 273 HD3 ARG 35 2HD ARG 35 -5.043 1.653 -7.692 274 HE ARG 35 HE ARG 35 -6.263 0.233 -5.767 275 HH11 ARG 35 1HH1 ARG 35 -5.415 -0.531 -9.056 276 HH12 ARG 35 2HH1 ARG 35 -5.192 -2.220 -8.744 277 HH21 ARG 35 1HH2 ARG 35 -5.972 -1.989 -5.343 278 HH22 ARG 35 2HH2 ARG 35 -5.510 -3.049 -6.631 279 H TRP 36 H TRP 36 -4.906 6.009 -6.010 280 HA TRP 36 HA TRP 36 -4.741 4.861 -3.397 281 HB2 TRP 36 1HB TRP 36 -3.140 7.212 -4.400 282 HB3 TRP 36 2HB TRP 36 -2.684 6.030 -3.176 283 HD1 TRP 36 HD TRP 36 -1.504 6.852 -6.340 284 HE1 TRP 36 1HE TRP 36 -0.706 4.831 -7.720 285 HE3 TRP 36 3HE TRP 36 -3.815 3.119 -3.722 286 HZ2 TRP 36 2HZ TRP 36 -1.016 2.025 -7.701 287 HZ3 TRP 36 3HZ TRP 36 -3.514 0.794 -4.468 288 HH2 TRP 36 HH TRP 36 -2.143 0.261 -6.417 289 H GLN 37 H GLN 37 -5.579 8.051 -4.676 290 HA GLN 37 HA GLN 37 -5.744 9.474 -2.301 291 HB2 GLN 37 1HB GLN 37 -5.926 10.512 -4.515 292 HB3 GLN 37 2HB GLN 37 -7.491 9.745 -4.754 293 HG2 GLN 37 1HG GLN 37 -7.787 12.054 -4.143 294 HG3 GLN 37 2HG GLN 37 -8.388 11.010 -2.856 295 HE21 GLN 37 1HE2 GLN 37 -7.595 11.239 -0.860 296 HE22 GLN 37 2HE2 GLN 37 -6.298 12.295 -0.425 297 H LYS 38 H LYS 38 -8.336 7.684 -3.964 298 HA LYS 38 HA LYS 38 -10.386 8.144 -2.161 299 HB2 LYS 38 1HB LYS 38 -9.836 5.660 -3.794 300 HB3 LYS 38 2HB LYS 38 -11.362 6.013 -2.995 301 HG2 LYS 38 1HG LYS 38 -11.817 7.821 -4.423 302 HG3 LYS 38 2HG LYS 38 -10.155 7.871 -5.019 303 HD2 LYS 38 1HD LYS 38 -10.710 5.415 -5.788 304 HD3 LYS 38 2HD LYS 38 -12.373 6.004 -5.713 305 HE2 LYS 38 1HE LYS 38 -10.214 7.486 -7.187 306 HE3 LYS 38 2HE LYS 38 -11.153 6.202 -7.947 307 HZ1 LYS 38 3HZ LYS 38 -12.856 8.048 -6.631 308 HZ2 LYS 38 1HZ LYS 38 -12.832 7.592 -8.260 309 HZ3 LYS 38 2HZ LYS 38 -11.849 8.859 -7.722 310 H ILE 39 H ILE 39 -8.119 5.395 -2.203 311 HA ILE 39 HA ILE 39 -9.043 4.137 0.111 312 HB ILE 39 HB ILE 39 -6.286 4.171 -1.112 313 HG12 ILE 39 1HG1 ILE 39 -8.129 1.818 -1.071 314 HG13 ILE 39 2HG1 ILE 39 -8.456 3.125 -2.205 315 HG21 ILE 39 1HG2 ILE 39 -5.866 3.589 1.115 316 HG22 ILE 39 2HG2 ILE 39 -7.352 2.650 1.244 317 HG23 ILE 39 3HG2 ILE 39 -6.007 2.043 0.278 318 HD11 ILE 39 3HD1 ILE 39 -6.108 1.282 -2.079 319 HD12 ILE 39 1HD1 ILE 39 -7.180 1.637 -3.434 320 HD13 ILE 39 2HD1 ILE 39 -6.000 2.837 -2.905 321 H ALA 40 H ALA 40 -6.539 6.614 -0.298 322 HA ALA 40 HA ALA 40 -5.563 6.724 2.292 323 HB1 ALA 40 3HB ALA 40 -4.934 9.054 1.785 324 HB2 ALA 40 1HB ALA 40 -4.521 7.939 0.482 325 HB3 ALA 40 2HB ALA 40 -5.933 8.987 0.333 326 H ASP 41 H ASP 41 -8.213 8.660 0.897 327 HA ASP 41 HA ASP 41 -8.959 10.192 3.004 328 HB2 ASP 41 1HB ASP 41 -10.057 9.856 0.653 329 HB3 ASP 41 2HB ASP 41 -11.108 8.731 1.509 330 H GLU 42 H GLU 42 -10.109 6.863 2.453 331 HA GLU 42 HA GLU 42 -11.682 6.557 4.692 332 HB2 GLU 42 1HB GLU 42 -10.032 4.649 3.081 333 HB3 GLU 42 2HB GLU 42 -10.813 4.082 4.550 334 HG2 GLU 42 1HG GLU 42 -12.239 5.399 2.251 335 HG3 GLU 42 2HG GLU 42 -12.128 3.658 2.508 336 H LEU 43 H LEU 43 -8.185 6.013 4.407 337 HA LEU 43 HA LEU 43 -7.780 5.158 7.061 338 HB2 LEU 43 1HB LEU 43 -5.902 6.474 5.107 339 HB3 LEU 43 2HB LEU 43 -5.401 5.775 6.645 340 HG LEU 43 HG LEU 43 -6.815 4.099 4.605 341 HD11 LEU 43 1HD1 LEU 43 -4.725 5.392 3.718 342 HD12 LEU 43 2HD1 LEU 43 -4.913 3.669 3.393 343 HD13 LEU 43 3HD1 LEU 43 -3.837 4.212 4.681 344 HD21 LEU 43 3HD2 LEU 43 -4.939 3.600 6.902 345 HD22 LEU 43 1HD2 LEU 43 -5.324 2.369 5.698 346 HD23 LEU 43 2HD2 LEU 43 -6.603 3.046 6.706 347 H GLY 44 H GLY 44 -7.628 8.357 5.548 348 HA2 GLY 44 1HA GLY 44 -8.015 10.418 6.547 349 HA3 GLY 44 2HA GLY 44 -8.155 9.607 8.100 350 H ASN 45 H ASN 45 -5.684 8.300 8.175 351 HA ASN 45 HA ASN 45 -3.975 10.550 8.826 352 HB2 ASN 45 1HB ASN 45 -4.025 7.645 9.474 353 HB3 ASN 45 2HB ASN 45 -2.462 8.455 9.510 354 HD21 ASN 45 1HD2 ASN 45 -5.751 8.604 10.764 355 HD22 ASN 45 2HD2 ASN 45 -5.340 9.378 12.253 356 H ARG 46 H ARG 46 -3.873 7.689 6.730 357 HA ARG 46 HA ARG 46 -1.329 8.400 5.601 358 HB2 ARG 46 1HB ARG 46 -3.384 6.293 4.973 359 HB3 ARG 46 2HB ARG 46 -1.989 6.551 3.934 360 HG2 ARG 46 1HG ARG 46 -1.868 5.873 6.865 361 HG3 ARG 46 2HG ARG 46 -1.645 4.731 5.539 362 HD2 ARG 46 1HD ARG 46 0.257 6.135 4.746 363 HD3 ARG 46 2HD ARG 46 0.078 7.112 6.202 364 HE ARG 46 HE ARG 46 1.338 4.565 5.995 365 HH11 ARG 46 1HH1 ARG 46 -0.507 6.608 8.127 366 HH12 ARG 46 2HH1 ARG 46 0.120 5.887 9.572 367 HH21 ARG 46 1HH2 ARG 46 2.170 3.608 7.891 368 HH22 ARG 46 2HH2 ARG 46 1.643 4.181 9.437 369 H THR 47 H THR 47 -1.068 8.654 3.214 370 HA THR 47 HA THR 47 -3.292 10.176 2.027 371 HB THR 47 HB THR 47 -1.812 11.841 1.164 372 HG1 THR 47 1HG THR 47 0.442 10.762 2.444 373 HG21 THR 47 3HG2 THR 47 -2.519 12.085 3.537 374 HG22 THR 47 1HG2 THR 47 -0.992 12.890 3.177 375 HG23 THR 47 2HG2 THR 47 -0.996 11.345 4.029 376 H ALA 48 H ALA 48 -3.179 10.353 -0.333 377 HA ALA 48 HA ALA 48 -3.157 8.069 -1.718 378 HB1 ALA 48 3HB ALA 48 -3.836 10.107 -2.771 379 HB2 ALA 48 1HB ALA 48 -2.192 10.743 -2.716 380 HB3 ALA 48 2HB ALA 48 -2.575 9.374 -3.761 381 H LYS 49 H LYS 49 -0.268 10.158 -1.530 382 HA LYS 49 HA LYS 49 1.496 8.489 -2.871 383 HB2 LYS 49 1HB LYS 49 1.786 10.664 -0.859 384 HB3 LYS 49 2HB LYS 49 3.192 9.653 -1.169 385 HG2 LYS 49 1HG LYS 49 1.688 10.923 -3.423 386 HG3 LYS 49 2HG LYS 49 2.904 11.823 -2.514 387 HD2 LYS 49 1HD LYS 49 3.413 9.162 -3.840 388 HD3 LYS 49 2HD LYS 49 3.763 10.722 -4.589 389 HE2 LYS 49 1HE LYS 49 5.043 11.106 -2.299 390 HE3 LYS 49 2HE LYS 49 5.112 9.345 -2.328 391 HZ1 LYS 49 3HZ LYS 49 5.807 10.214 -4.867 392 HZ2 LYS 49 1HZ LYS 49 6.819 9.515 -3.705 393 HZ3 LYS 49 2HZ LYS 49 6.662 11.197 -3.787 394 H GLN 50 H GLN 50 1.528 8.904 0.669 395 HA GLN 50 HA GLN 50 3.095 6.864 1.436 396 HB2 GLN 50 1HB GLN 50 0.456 7.569 2.731 397 HB3 GLN 50 2HB GLN 50 1.761 6.676 3.501 398 HG2 GLN 50 1HG GLN 50 1.993 9.496 2.475 399 HG3 GLN 50 2HG GLN 50 1.661 9.057 4.150 400 HE21 GLN 50 1HE2 GLN 50 3.888 10.559 3.112 401 HE22 GLN 50 2HE2 GLN 50 5.318 9.685 3.531 402 H VAL 51 H VAL 51 -0.219 6.554 0.301 403 HA VAL 51 HA VAL 51 -0.424 3.758 0.885 404 HB VAL 51 HB VAL 51 -2.090 5.487 -0.949 405 HG11 VAL 51 1HG1 VAL 51 -1.981 2.767 -0.980 406 HG12 VAL 51 2HG1 VAL 51 -3.269 3.057 0.191 407 HG13 VAL 51 3HG1 VAL 51 -3.390 3.724 -1.438 408 HG21 VAL 51 3HG2 VAL 51 -3.701 5.495 0.898 409 HG22 VAL 51 1HG2 VAL 51 -2.564 4.581 1.889 410 HG23 VAL 51 2HG2 VAL 51 -2.166 6.220 1.374 411 H ALA 52 H ALA 52 0.343 5.680 -1.977 412 HA ALA 52 HA ALA 52 0.348 3.634 -3.879 413 HB1 ALA 52 3HB ALA 52 0.448 6.009 -4.456 414 HB2 ALA 52 1HB ALA 52 2.086 6.098 -3.807 415 HB3 ALA 52 2HB ALA 52 1.752 5.103 -5.224 416 H SER 53 H SER 53 3.085 4.952 -2.011 417 HA SER 53 HA SER 53 5.047 3.228 -2.977 418 HB2 SER 53 1HB SER 53 4.759 4.707 -0.367 419 HB3 SER 53 2HB SER 53 6.170 3.706 -0.711 420 HG SER 53 HG SER 53 5.266 5.803 -2.394 421 H GLN 54 H GLN 54 2.806 2.845 -0.271 422 HA GLN 54 HA GLN 54 3.878 0.454 0.752 423 HB2 GLN 54 1HB GLN 54 2.049 2.101 1.690 424 HB3 GLN 54 2HB GLN 54 0.941 1.000 0.882 425 HG2 GLN 54 1HG GLN 54 1.171 0.381 3.194 426 HG3 GLN 54 2HG GLN 54 1.878 -0.866 2.169 427 HE21 GLN 54 1HE2 GLN 54 2.711 -1.171 4.537 428 HE22 GLN 54 2HE2 GLN 54 4.274 -0.498 4.836 429 H VAL 55 H VAL 55 1.192 1.006 -1.517 430 HA VAL 55 HA VAL 55 0.437 -1.619 -1.952 431 HB VAL 55 HB VAL 55 0.484 0.636 -3.963 432 HG11 VAL 55 1HG1 VAL 55 -0.617 -2.126 -4.048 433 HG12 VAL 55 2HG1 VAL 55 -1.541 -0.829 -4.807 434 HG13 VAL 55 3HG1 VAL 55 0.111 -1.159 -5.330 435 HG21 VAL 55 3HG2 VAL 55 -1.137 0.104 -1.631 436 HG22 VAL 55 1HG2 VAL 55 -1.090 1.530 -2.668 437 HG23 VAL 55 2HG2 VAL 55 -2.120 0.163 -3.094 438 H GLN 56 H GLN 56 3.133 0.179 -3.305 439 HA GLN 56 HA GLN 56 3.849 -1.517 -5.391 440 HB2 GLN 56 1HB GLN 56 5.586 0.177 -3.592 441 HB3 GLN 56 2HB GLN 56 6.162 -0.609 -5.056 442 HG2 GLN 56 1HG GLN 56 3.922 1.398 -4.976 443 HG3 GLN 56 2HG GLN 56 5.603 1.789 -5.338 444 HE21 GLN 56 1HE2 GLN 56 2.892 -0.212 -6.388 445 HE22 GLN 56 2HE2 GLN 56 3.317 -0.226 -8.062 446 H LYS 57 H LYS 57 5.064 -1.520 -2.040 447 HA LYS 57 HA LYS 57 6.513 -3.962 -2.403 448 HB2 LYS 57 1HB LYS 57 5.855 -2.237 -0.033 449 HB3 LYS 57 2HB LYS 57 6.605 -3.812 0.185 450 HG2 LYS 57 1HG LYS 57 8.492 -3.125 -1.184 451 HG3 LYS 57 2HG LYS 57 7.733 -1.555 -1.460 452 HD2 LYS 57 1HD LYS 57 7.700 -1.427 1.145 453 HD3 LYS 57 2HD LYS 57 8.955 -2.663 1.036 454 HE2 LYS 57 1HE LYS 57 9.146 -0.150 -0.580 455 HE3 LYS 57 2HE LYS 57 9.635 -0.162 1.114 456 HZ1 LYS 57 3HZ LYS 57 10.716 -1.946 -1.001 457 HZ2 LYS 57 1HZ LYS 57 11.197 -1.930 0.621 458 HZ3 LYS 57 2HZ LYS 57 11.502 -0.590 -0.364 459 H TYR 58 H TYR 58 3.337 -3.512 -2.426 460 HA TYR 58 HA TYR 58 2.671 -5.816 -0.737 461 HB2 TYR 58 1HB TYR 58 1.150 -3.479 -1.772 462 HB3 TYR 58 2HB TYR 58 0.265 -4.986 -1.557 463 HD1 TYR 58 1HD TYR 58 3.038 -3.603 0.506 464 HD2 TYR 58 2HD TYR 58 -1.099 -4.575 0.295 465 HE1 TYR 58 1HE TYR 58 2.807 -3.117 2.906 466 HE2 TYR 58 2HE TYR 58 -1.341 -4.091 2.694 467 HH TYR 58 HH TYR 58 -0.183 -2.747 4.427 468 H PHE 59 H PHE 59 2.662 -4.682 -4.049 469 HA PHE 59 HA PHE 59 1.653 -7.307 -4.923 470 HB2 PHE 59 1HB PHE 59 1.630 -4.637 -6.342 471 HB3 PHE 59 2HB PHE 59 1.137 -6.155 -7.084 472 HD1 PHE 59 2HD PHE 59 0.454 -4.389 -3.864 473 HD2 PHE 59 1HD PHE 59 -1.125 -6.409 -7.261 474 HE1 PHE 59 2HE PHE 59 -1.824 -4.073 -2.989 475 HE2 PHE 59 1HE PHE 59 -3.406 -6.095 -6.392 476 HZ PHE 59 HZ PHE 59 -3.757 -4.927 -4.253 477 H ILE 60 H ILE 60 4.122 -4.847 -5.499 478 HA ILE 60 HA ILE 60 5.501 -6.376 -7.488 479 HB ILE 60 HB ILE 60 6.568 -4.063 -5.868 480 HG12 ILE 60 1HG1 ILE 60 5.212 -3.987 -8.570 481 HG13 ILE 60 2HG1 ILE 60 4.422 -3.557 -7.057 482 HG21 ILE 60 1HG2 ILE 60 7.989 -5.710 -7.427 483 HG22 ILE 60 2HG2 ILE 60 7.422 -4.574 -8.650 484 HG23 ILE 60 3HG2 ILE 60 8.347 -3.991 -7.267 485 HD11 ILE 60 3HD1 ILE 60 6.757 -2.170 -8.346 486 HD12 ILE 60 1HD1 ILE 60 5.113 -1.559 -8.163 487 HD13 ILE 60 2HD1 ILE 60 6.133 -1.788 -6.741 488 H LYS 61 H LYS 61 5.736 -5.984 -4.015 489 HA LYS 61 HA LYS 61 8.270 -7.115 -3.612 490 HB2 LYS 61 1HB LYS 61 7.018 -5.888 -1.876 491 HB3 LYS 61 2HB LYS 61 5.861 -7.210 -1.787 492 HG2 LYS 61 1HG LYS 61 7.928 -8.665 -1.241 493 HG3 LYS 61 2HG LYS 61 8.703 -7.123 -0.869 494 HD2 LYS 61 1HD LYS 61 6.593 -6.693 0.573 495 HD3 LYS 61 2HD LYS 61 6.368 -8.440 0.467 496 HE2 LYS 61 1HE LYS 61 7.596 -8.211 2.416 497 HE3 LYS 61 2HE LYS 61 8.844 -8.555 1.219 498 HZ1 LYS 61 3HZ LYS 61 9.485 -6.728 2.657 499 HZ2 LYS 61 1HZ LYS 61 8.102 -5.858 2.218 500 HZ3 LYS 61 2HZ LYS 61 9.296 -6.185 1.066 501 H LEU 62 H LEU 62 5.052 -8.637 -3.455 502 HA LEU 62 HA LEU 62 5.953 -11.247 -2.976 503 HB2 LEU 62 1HB LEU 62 3.777 -11.920 -3.281 504 HB3 LEU 62 2HB LEU 62 3.576 -10.219 -2.866 505 HG LEU 62 HG LEU 62 3.537 -9.877 -5.451 506 HD11 LEU 62 1HD1 LEU 62 2.293 -11.947 -6.414 507 HD12 LEU 62 2HD1 LEU 62 3.137 -12.820 -5.135 508 HD13 LEU 62 3HD1 LEU 62 4.056 -11.935 -6.352 509 HD21 LEU 62 3HD2 LEU 62 1.444 -9.359 -4.935 510 HD22 LEU 62 1HD2 LEU 62 1.564 -10.318 -3.460 511 HD23 LEU 62 2HD2 LEU 62 1.007 -11.068 -4.957 512 H THR 63 H THR 63 5.611 -9.411 -5.930 513 HA THR 63 HA THR 63 5.697 -11.473 -7.808 514 HB THR 63 HB THR 63 6.962 -8.746 -8.120 515 HG1 THR 63 1HG THR 63 4.894 -8.278 -7.638 516 HG21 THR 63 3HG2 THR 63 6.703 -9.048 -10.454 517 HG22 THR 63 1HG2 THR 63 5.702 -10.483 -10.233 518 HG23 THR 63 2HG2 THR 63 7.423 -10.541 -9.855 519 H LYS 64 H LYS 64 7.225 -12.866 -8.396 520 HA LYS 64 HA LYS 64 9.564 -13.344 -7.092 521 HB2 LYS 64 1HB LYS 64 10.314 -14.576 -9.095 522 HB3 LYS 64 2HB LYS 64 8.634 -14.913 -8.695 523 HG2 LYS 64 1HG LYS 64 7.957 -13.262 -10.429 524 HG3 LYS 64 2HG LYS 64 9.656 -13.122 -10.887 525 HD2 LYS 64 1HD LYS 64 9.640 -15.622 -11.242 526 HD3 LYS 64 2HD LYS 64 7.886 -15.554 -11.057 527 HE2 LYS 64 1HE LYS 64 7.806 -13.920 -12.922 528 HE3 LYS 64 2HE LYS 64 9.542 -14.133 -13.140 529 HZ1 LYS 64 3HZ LYS 64 9.275 -16.193 -14.023 530 HZ2 LYS 64 1HZ LYS 64 7.801 -15.520 -14.511 531 HZ3 LYS 64 2HZ LYS 64 7.862 -16.526 -13.154 532 H ALA 65 H ALA 65 9.170 -11.314 -9.979 533 HA ALA 65 HA ALA 65 11.869 -10.643 -10.323 534 HB1 ALA 65 3HB ALA 65 9.330 -9.803 -11.399 535 HB2 ALA 65 1HB ALA 65 10.408 -8.426 -11.172 536 HB3 ALA 65 2HB ALA 65 10.926 -9.800 -12.150 537 H GLY 66 H GLY 66 9.345 -9.200 -8.322 538 HA2 GLY 66 1HA GLY 66 11.260 -7.193 -7.354 539 HA3 GLY 66 2HA GLY 66 9.519 -7.150 -7.115 540 H ILE 67 H ILE 67 11.905 -9.712 -6.491 541 HA ILE 67 HA ILE 67 10.801 -10.003 -3.803 542 HB ILE 67 HB ILE 67 12.679 -11.739 -5.402 543 HG12 ILE 67 1HG1 ILE 67 10.251 -11.766 -5.993 544 HG13 ILE 67 2HG1 ILE 67 10.853 -13.319 -5.422 545 HG21 ILE 67 1HG2 ILE 67 13.390 -12.699 -3.535 546 HG22 ILE 67 2HG2 ILE 67 12.464 -11.537 -2.585 547 HG23 ILE 67 3HG2 ILE 67 11.726 -13.061 -3.075 548 HD11 ILE 67 3HD1 ILE 67 8.753 -11.646 -4.366 549 HD12 ILE 67 1HD1 ILE 67 9.125 -13.338 -4.038 550 HD13 ILE 67 2HD1 ILE 67 9.942 -12.063 -3.133 551 HA PRO 68 HA PRO 68 14.191 -7.748 -2.050 552 HB2 PRO 68 1HB PRO 68 13.682 -8.367 0.544 553 HB3 PRO 68 2HB PRO 68 12.733 -7.186 -0.366 554 HG2 PRO 68 1HG PRO 68 12.116 -10.053 0.235 555 HG3 PRO 68 2HG PRO 68 11.044 -8.642 0.294 556 HD2 PRO 68 1HD PRO 68 11.057 -10.376 -1.786 557 HD3 PRO 68 2HD PRO 68 10.704 -8.648 -1.986 558 H VAL 69 H VAL 69 16.260 -8.217 -1.523 559 HA VAL 69 HA VAL 69 17.244 -10.832 -1.743 560 HB VAL 69 HB VAL 69 18.579 -8.421 -0.503 561 HG11 VAL 69 1HG1 VAL 69 19.755 -10.364 0.209 562 HG12 VAL 69 2HG1 VAL 69 19.685 -11.073 -1.405 563 HG13 VAL 69 3HG1 VAL 69 20.682 -9.648 -1.109 564 HG21 VAL 69 3HG2 VAL 69 19.756 -8.623 -2.865 565 HG22 VAL 69 1HG2 VAL 69 18.216 -9.369 -3.295 566 HG23 VAL 69 2HG2 VAL 69 18.252 -7.726 -2.654 567 H SER 70 H SER 70 16.757 -8.789 1.125 568 HA SER 70 HA SER 70 17.356 -11.075 2.849 569 HB2 SER 70 1HB SER 70 17.038 -8.122 3.388 570 HB3 SER 70 2HB SER 70 17.144 -9.311 4.685 571 HG SER 70 HG SER 70 19.136 -9.950 3.276 572 H GLY 71 H GLY 71 15.931 -11.383 4.782 573 HA2 GLY 71 1HA GLY 71 13.103 -10.980 4.021 574 HA3 GLY 71 2HA GLY 71 13.692 -12.449 4.785 575 HA PRO 72 HA PRO 72 13.719 -8.891 8.099 576 HB2 PRO 72 1HB PRO 72 12.133 -6.769 7.506 577 HB3 PRO 72 2HB PRO 72 13.848 -6.834 7.083 578 HG2 PRO 72 1HG PRO 72 11.453 -7.382 5.373 579 HG3 PRO 72 2HG PRO 72 12.925 -6.475 4.979 580 HD2 PRO 72 1HD PRO 72 12.532 -9.032 4.179 581 HD3 PRO 72 2HD PRO 72 14.142 -8.387 4.558 582 H SER 73 H SER 73 12.342 -8.973 9.822 583 HA SER 73 HA SER 73 10.607 -9.905 11.007 584 HB2 SER 73 1HB SER 73 9.860 -7.590 10.581 585 HB3 SER 73 2HB SER 73 9.064 -8.127 9.102 586 HG SER 73 HG SER 73 7.424 -8.566 10.323 587 H SER 74 H SER 74 11.417 -11.662 9.016 588 HA SER 74 HA SER 74 9.159 -12.587 7.503 589 HB2 SER 74 1HB SER 74 10.655 -14.517 6.958 590 HB3 SER 74 2HB SER 74 11.377 -12.947 6.606 591 HG SER 74 HG SER 74 12.790 -14.418 7.722 592 H GLY 75 H GLY 75 7.471 -13.273 8.706 593 HA2 GLY 75 1HA GLY 75 6.236 -14.738 9.978 594 HA3 GLY 75 2HA GLY 75 7.642 -15.793 10.007 Start of MODEL 14 1 H1 GLY 1 H GLY 1 6.824 -12.345 9.118 2 HA2 GLY 1 1HA GLY 1 8.349 -13.954 10.351 3 HA3 GLY 1 2HA GLY 1 8.739 -14.563 8.749 4 H SER 2 H SER 2 10.046 -13.345 7.374 5 HA SER 2 HA SER 2 12.000 -11.752 8.662 6 HB2 SER 2 1HB SER 2 11.457 -12.118 5.705 7 HB3 SER 2 2HB SER 2 12.920 -11.417 6.396 8 HG SER 2 HG SER 2 11.996 -14.030 6.993 9 H SER 3 H SER 3 12.636 -9.552 7.856 10 HA SER 3 HA SER 3 10.244 -7.895 7.383 11 HB2 SER 3 1HB SER 3 10.865 -7.473 9.635 12 HB3 SER 3 2HB SER 3 12.581 -7.417 9.233 13 HG SER 3 HG SER 3 11.575 -5.330 9.546 14 H GLY 4 H GLY 4 13.807 -7.846 7.189 15 HA2 GLY 4 1HA GLY 4 15.145 -7.253 5.388 16 HA3 GLY 4 2HA GLY 4 13.692 -6.929 4.455 17 H SER 5 H SER 5 13.281 -4.876 3.985 18 HA SER 5 HA SER 5 14.980 -2.791 4.859 19 HB2 SER 5 1HB SER 5 12.315 -2.669 3.428 20 HB3 SER 5 2HB SER 5 13.410 -1.303 3.631 21 HG SER 5 HG SER 5 13.466 -2.786 1.625 22 H SER 6 H SER 6 14.365 -0.850 6.004 23 HA SER 6 HA SER 6 12.143 -1.218 7.896 24 HB2 SER 6 1HB SER 6 14.997 -0.468 8.534 25 HB3 SER 6 2HB SER 6 13.663 -0.136 9.638 26 HG SER 6 HG SER 6 14.550 -2.114 10.175 27 H GLY 7 H GLY 7 14.579 1.133 6.766 28 HA2 GLY 7 1HA GLY 7 14.320 3.307 6.051 29 HA3 GLY 7 2HA GLY 7 12.585 3.033 6.020 30 H ASN 8 H ASN 8 11.716 4.685 7.104 31 HA ASN 8 HA ASN 8 12.939 5.502 9.645 32 HB2 ASN 8 1HB ASN 8 10.811 6.943 8.052 33 HB3 ASN 8 2HB ASN 8 11.716 7.576 9.424 34 HD21 ASN 8 1HD2 ASN 8 14.224 7.193 9.008 35 HD22 ASN 8 2HD2 ASN 8 14.772 7.834 7.500 36 H GLN 9 H GLN 9 9.712 4.940 8.237 37 HA GLN 9 HA GLN 9 8.878 3.641 10.699 38 HB2 GLN 9 1HB GLN 9 6.850 5.024 10.909 39 HB3 GLN 9 2HB GLN 9 8.318 5.967 11.135 40 HG2 GLN 9 1HG GLN 9 6.732 5.844 8.580 41 HG3 GLN 9 2HG GLN 9 6.605 7.120 9.790 42 HE21 GLN 9 1HE2 GLN 9 7.818 6.520 6.890 43 HE22 GLN 9 2HE2 GLN 9 9.236 7.507 6.914 44 H LEU 10 H LEU 10 7.601 1.948 10.287 45 HA LEU 10 HA LEU 10 6.528 1.678 7.564 46 HB2 LEU 10 1HB LEU 10 7.554 -0.246 9.586 47 HB3 LEU 10 2HB LEU 10 6.302 -0.796 8.475 48 HG LEU 10 HG LEU 10 8.766 0.494 7.386 49 HD11 LEU 10 1HD1 LEU 10 9.214 -2.251 7.299 50 HD12 LEU 10 2HD1 LEU 10 8.724 -1.922 8.960 51 HD13 LEU 10 3HD1 LEU 10 10.092 -1.059 8.258 52 HD21 LEU 10 3HD2 LEU 10 7.413 0.067 5.620 53 HD22 LEU 10 1HD2 LEU 10 6.567 -1.245 6.442 54 HD23 LEU 10 2HD2 LEU 10 8.162 -1.526 5.744 55 H TRP 11 H TRP 11 4.424 0.816 7.251 56 HA TRP 11 HA TRP 11 2.410 1.931 8.764 57 HB2 TRP 11 1HB TRP 11 2.426 -0.441 6.909 58 HB3 TRP 11 2HB TRP 11 0.945 0.104 7.692 59 HD1 TRP 11 HD TRP 11 3.737 2.160 5.933 60 HE1 TRP 11 1HE TRP 11 2.614 3.661 4.170 61 HE3 TRP 11 3HE TRP 11 -1.100 0.611 6.512 62 HZ2 TRP 11 2HZ TRP 11 0.020 4.128 3.159 63 HZ3 TRP 11 3HZ TRP 11 -2.842 1.635 5.108 64 HH2 TRP 11 HH TRP 11 -2.292 3.357 3.467 65 H THR 12 H THR 12 0.886 1.080 10.249 66 HA THR 12 HA THR 12 2.066 -0.813 12.111 67 HB THR 12 HB THR 12 0.495 -0.088 13.704 68 HG1 THR 12 1HG THR 12 -1.430 -0.212 12.606 69 HG21 THR 12 3HG2 THR 12 0.842 2.222 13.822 70 HG22 THR 12 1HG2 THR 12 0.778 2.415 12.071 71 HG23 THR 12 2HG2 THR 12 2.178 1.652 12.823 72 H VAL 13 H VAL 13 0.315 -2.271 13.244 73 HA VAL 13 HA VAL 13 -0.442 -4.238 11.379 74 HB VAL 13 HB VAL 13 0.023 -4.836 13.680 75 HG11 VAL 13 1HG1 VAL 13 -1.236 -4.142 15.534 76 HG12 VAL 13 2HG1 VAL 13 -0.992 -2.675 14.583 77 HG13 VAL 13 3HG1 VAL 13 -2.540 -3.518 14.524 78 HG21 VAL 13 3HG2 VAL 13 -2.695 -5.416 12.587 79 HG22 VAL 13 1HG2 VAL 13 -1.297 -6.479 12.746 80 HG23 VAL 13 2HG2 VAL 13 -2.239 -6.043 14.171 81 H GLU 14 H GLU 14 -2.385 -1.878 13.198 82 HA GLU 14 HA GLU 14 -4.886 -2.653 12.186 83 HB2 GLU 14 1HB GLU 14 -3.917 0.006 13.239 84 HB3 GLU 14 2HB GLU 14 -5.597 -0.331 12.850 85 HG2 GLU 14 1HG GLU 14 -5.548 -2.187 14.497 86 HG3 GLU 14 2HG GLU 14 -3.921 -1.682 14.950 87 H GLU 15 H GLU 15 -2.753 0.016 11.169 88 HA GLU 15 HA GLU 15 -4.310 0.860 8.998 89 HB2 GLU 15 1HB GLU 15 -1.453 1.186 9.794 90 HB3 GLU 15 2HB GLU 15 -1.918 1.632 8.158 91 HG2 GLU 15 1HG GLU 15 -1.923 3.472 9.892 92 HG3 GLU 15 2HG GLU 15 -3.373 3.306 8.904 93 H GLN 16 H GLN 16 -1.478 -1.299 9.060 94 HA GLN 16 HA GLN 16 -1.177 -1.888 6.425 95 HB2 GLN 16 1HB GLN 16 -0.819 -3.471 8.917 96 HB3 GLN 16 2HB GLN 16 -0.759 -4.343 7.390 97 HG2 GLN 16 1HG GLN 16 0.963 -2.650 6.644 98 HG3 GLN 16 2HG GLN 16 1.023 -2.116 8.323 99 HE21 GLN 16 1HE2 GLN 16 2.938 -3.534 6.445 100 HE22 GLN 16 2HE2 GLN 16 3.505 -4.880 7.368 101 H LYS 17 H LYS 17 -3.086 -4.033 8.538 102 HA LYS 17 HA LYS 17 -4.339 -5.472 6.542 103 HB2 LYS 17 1HB LYS 17 -5.924 -6.179 8.194 104 HB3 LYS 17 2HB LYS 17 -4.367 -5.995 8.991 105 HG2 LYS 17 1HG LYS 17 -5.028 -4.065 10.111 106 HG3 LYS 17 2HG LYS 17 -6.382 -3.780 9.015 107 HD2 LYS 17 1HD LYS 17 -7.728 -5.304 10.061 108 HD3 LYS 17 2HD LYS 17 -6.371 -6.303 10.586 109 HE2 LYS 17 1HE LYS 17 -6.640 -3.571 11.731 110 HE3 LYS 17 2HE LYS 17 -7.752 -4.821 12.287 111 HZ1 LYS 17 3HZ LYS 17 -5.144 -4.387 13.121 112 HZ2 LYS 17 1HZ LYS 17 -5.119 -5.834 12.245 113 HZ3 LYS 17 2HZ LYS 17 -6.167 -5.661 13.561 114 H LYS 18 H LYS 18 -5.134 -2.320 7.833 115 HA LYS 18 HA LYS 18 -7.737 -2.086 6.782 116 HB2 LYS 18 1HB LYS 18 -6.549 -0.594 8.503 117 HB3 LYS 18 2HB LYS 18 -5.836 0.224 7.119 118 HG2 LYS 18 1HG LYS 18 -7.805 1.183 6.490 119 HG3 LYS 18 2HG LYS 18 -8.784 -0.120 7.166 120 HD2 LYS 18 1HD LYS 18 -7.925 0.746 9.450 121 HD3 LYS 18 2HD LYS 18 -7.516 2.213 8.556 122 HE2 LYS 18 1HE LYS 18 -9.860 2.354 7.789 123 HE3 LYS 18 2HE LYS 18 -10.243 0.938 8.767 124 HZ1 LYS 18 3HZ LYS 18 -9.765 3.684 9.587 125 HZ2 LYS 18 1HZ LYS 18 -9.108 2.493 10.593 126 HZ3 LYS 18 2HZ LYS 18 -10.768 2.507 10.272 127 H LEU 19 H LEU 19 -4.569 -1.211 5.458 128 HA LEU 19 HA LEU 19 -5.447 0.040 3.120 129 HB2 LEU 19 1HB LEU 19 -3.190 0.303 3.656 130 HB3 LEU 19 2HB LEU 19 -2.942 -1.431 3.852 131 HG LEU 19 HG LEU 19 -3.156 -1.701 1.402 132 HD11 LEU 19 1HD1 LEU 19 -4.501 0.135 0.766 133 HD12 LEU 19 2HD1 LEU 19 -2.917 0.411 0.043 134 HD13 LEU 19 3HD1 LEU 19 -3.390 1.296 1.493 135 HD21 LEU 19 3HD2 LEU 19 -1.034 -0.182 2.763 136 HD22 LEU 19 1HD2 LEU 19 -1.020 -0.097 1.001 137 HD23 LEU 19 2HD2 LEU 19 -0.942 -1.663 1.808 138 H GLU 20 H GLU 20 -4.447 -3.348 3.601 139 HA GLU 20 HA GLU 20 -4.864 -4.322 1.067 140 HB2 GLU 20 1HB GLU 20 -5.172 -5.568 3.778 141 HB3 GLU 20 2HB GLU 20 -5.565 -6.489 2.333 142 HG2 GLU 20 1HG GLU 20 -3.173 -5.654 1.586 143 HG3 GLU 20 2HG GLU 20 -2.937 -5.548 3.330 144 H GLN 21 H GLN 21 -7.266 -4.154 3.690 145 HA GLN 21 HA GLN 21 -9.426 -5.195 2.256 146 HB2 GLN 21 1HB GLN 21 -9.152 -3.465 4.673 147 HB3 GLN 21 2HB GLN 21 -10.743 -3.644 3.945 148 HG2 GLN 21 1HG GLN 21 -10.290 -5.222 5.800 149 HG3 GLN 21 2HG GLN 21 -10.709 -6.004 4.277 150 HE21 GLN 21 1HE2 GLN 21 -8.975 -6.900 3.008 151 HE22 GLN 21 2HE2 GLN 21 -7.549 -7.478 3.794 152 H LEU 22 H LEU 22 -8.274 -1.868 2.589 153 HA LEU 22 HA LEU 22 -10.392 -0.619 1.223 154 HB2 LEU 22 1HB LEU 22 -7.529 0.148 1.704 155 HB3 LEU 22 2HB LEU 22 -8.628 1.182 0.794 156 HG LEU 22 HG LEU 22 -9.320 0.289 3.570 157 HD11 LEU 22 1HD1 LEU 22 -8.214 2.928 3.541 158 HD12 LEU 22 2HD1 LEU 22 -7.023 1.778 2.934 159 HD13 LEU 22 3HD1 LEU 22 -7.754 1.535 4.520 160 HD21 LEU 22 3HD2 LEU 22 -10.070 2.610 1.804 161 HD22 LEU 22 1HD2 LEU 22 -10.486 2.514 3.515 162 HD23 LEU 22 2HD2 LEU 22 -11.111 1.311 2.388 163 H LEU 23 H LEU 23 -7.190 -1.663 0.065 164 HA LEU 23 HA LEU 23 -7.361 -0.877 -2.565 165 HB2 LEU 23 1HB LEU 23 -6.144 -3.411 -1.476 166 HB3 LEU 23 2HB LEU 23 -5.827 -2.740 -3.075 167 HG LEU 23 HG LEU 23 -5.222 -1.201 -0.566 168 HD11 LEU 23 1HD1 LEU 23 -2.804 -2.084 -1.317 169 HD12 LEU 23 2HD1 LEU 23 -3.779 -3.491 -1.740 170 HD13 LEU 23 3HD1 LEU 23 -3.789 -2.877 -0.087 171 HD21 LEU 23 3HD2 LEU 23 -4.543 0.356 -1.992 172 HD22 LEU 23 1HD2 LEU 23 -5.100 -0.646 -3.333 173 HD23 LEU 23 2HD2 LEU 23 -3.440 -0.790 -2.756 174 H ILE 24 H ILE 24 -8.504 -3.933 -1.152 175 HA ILE 24 HA ILE 24 -9.509 -5.012 -3.560 176 HB ILE 24 HB ILE 24 -10.374 -5.599 -0.726 177 HG12 ILE 24 1HG1 ILE 24 -8.574 -7.360 -2.335 178 HG13 ILE 24 2HG1 ILE 24 -7.891 -5.927 -1.574 179 HG21 ILE 24 1HG2 ILE 24 -11.515 -7.451 -1.486 180 HG22 ILE 24 2HG2 ILE 24 -11.849 -6.281 -2.762 181 HG23 ILE 24 3HG2 ILE 24 -10.614 -7.517 -3.001 182 HD11 ILE 24 3HD1 ILE 24 -9.517 -7.865 0.015 183 HD12 ILE 24 1HD1 ILE 24 -7.813 -8.170 -0.321 184 HD13 ILE 24 2HD1 ILE 24 -8.292 -6.720 0.561 185 H LYS 25 H LYS 25 -11.023 -3.119 -0.979 186 HA LYS 25 HA LYS 25 -13.666 -3.244 -1.877 187 HB2 LYS 25 1HB LYS 25 -13.115 -2.386 0.322 188 HB3 LYS 25 2HB LYS 25 -12.227 -1.043 -0.386 189 HG2 LYS 25 1HG LYS 25 -14.337 -0.223 -1.378 190 HG3 LYS 25 2HG LYS 25 -15.196 -1.521 -0.546 191 HD2 LYS 25 1HD LYS 25 -14.079 -0.570 1.586 192 HD3 LYS 25 2HD LYS 25 -13.809 0.873 0.607 193 HE2 LYS 25 1HE LYS 25 -15.842 1.283 1.683 194 HE3 LYS 25 2HE LYS 25 -16.308 0.748 0.069 195 HZ1 LYS 25 3HZ LYS 25 -17.682 -0.512 1.364 196 HZ2 LYS 25 1HZ LYS 25 -16.575 -0.644 2.637 197 HZ3 LYS 25 2HZ LYS 25 -16.367 -1.569 1.237 198 H TYR 26 H TYR 26 -11.313 -0.610 -2.397 199 HA TYR 26 HA TYR 26 -12.965 0.607 -4.408 200 HB2 TYR 26 1HB TYR 26 -10.174 1.180 -3.413 201 HB3 TYR 26 2HB TYR 26 -10.933 2.102 -4.707 202 HD1 TYR 26 2HD TYR 26 -10.961 1.373 -1.116 203 HD2 TYR 26 1HD TYR 26 -12.749 3.639 -4.242 204 HE1 TYR 26 2HE TYR 26 -12.038 2.820 0.557 205 HE2 TYR 26 1HE TYR 26 -13.829 5.093 -2.578 206 HH TYR 26 HH TYR 26 -13.529 5.772 -0.255 207 HA PRO 27 HA PRO 27 -11.407 -2.042 -7.650 208 HB2 PRO 27 1HB PRO 27 -12.911 -0.941 -9.624 209 HB3 PRO 27 2HB PRO 27 -13.562 -2.086 -8.445 210 HG2 PRO 27 1HG PRO 27 -13.748 0.901 -8.486 211 HG3 PRO 27 2HG PRO 27 -15.003 -0.293 -8.106 212 HD2 PRO 27 1HD PRO 27 -13.652 1.061 -6.189 213 HD3 PRO 27 2HD PRO 27 -14.237 -0.599 -5.954 214 HA PRO 28 HA PRO 28 -8.266 0.457 -9.479 215 HB2 PRO 28 1HB PRO 28 -7.678 -1.080 -11.638 216 HB3 PRO 28 2HB PRO 28 -7.202 -1.514 -9.993 217 HG2 PRO 28 1HG PRO 28 -9.519 -2.494 -11.615 218 HG3 PRO 28 2HG PRO 28 -8.411 -3.412 -10.579 219 HD2 PRO 28 1HD PRO 28 -10.889 -2.679 -9.771 220 HD3 PRO 28 2HD PRO 28 -9.520 -2.816 -8.648 221 H GLU 29 H GLU 29 -8.714 2.329 -10.452 222 HA GLU 29 HA GLU 29 -10.538 2.360 -12.745 223 HB2 GLU 29 1HB GLU 29 -10.469 4.860 -12.390 224 HB3 GLU 29 2HB GLU 29 -11.179 3.927 -11.079 225 HG2 GLU 29 1HG GLU 29 -9.082 4.086 -9.833 226 HG3 GLU 29 2HG GLU 29 -8.380 5.033 -11.143 227 H GLU 30 H GLU 30 -9.990 3.929 -14.514 228 HA GLU 30 HA GLU 30 -7.872 3.224 -15.999 229 HB2 GLU 30 1HB GLU 30 -7.968 5.438 -17.102 230 HB3 GLU 30 2HB GLU 30 -9.559 4.735 -16.850 231 HG2 GLU 30 1HG GLU 30 -9.757 6.149 -14.793 232 HG3 GLU 30 2HG GLU 30 -8.269 6.955 -15.288 233 H VAL 31 H VAL 31 -7.807 5.917 -13.672 234 HA VAL 31 HA VAL 31 -4.926 6.166 -13.966 235 HB VAL 31 HB VAL 31 -6.839 7.687 -12.189 236 HG11 VAL 31 1HG1 VAL 31 -3.925 8.147 -12.814 237 HG12 VAL 31 2HG1 VAL 31 -4.967 9.294 -11.968 238 HG13 VAL 31 3HG1 VAL 31 -4.619 7.720 -11.250 239 HG21 VAL 31 3HG2 VAL 31 -6.036 7.966 -14.994 240 HG22 VAL 31 1HG2 VAL 31 -7.446 8.603 -14.146 241 HG23 VAL 31 2HG2 VAL 31 -5.901 9.448 -14.046 242 H GLU 32 H GLU 32 -3.442 5.928 -12.251 243 HA GLU 32 HA GLU 32 -4.257 3.914 -10.299 244 HB2 GLU 32 1HB GLU 32 -2.193 3.698 -11.801 245 HB3 GLU 32 2HB GLU 32 -1.455 4.914 -10.768 246 HG2 GLU 32 1HG GLU 32 -1.530 3.500 -8.882 247 HG3 GLU 32 2HG GLU 32 -2.604 2.360 -9.690 248 H SER 33 H SER 33 -2.969 7.176 -10.486 249 HA SER 33 HA SER 33 -2.320 7.526 -7.778 250 HB2 SER 33 1HB SER 33 -2.427 9.934 -8.250 251 HB3 SER 33 2HB SER 33 -1.593 9.078 -9.546 252 HG SER 33 HG SER 33 -4.219 10.126 -9.533 253 H ARG 34 H ARG 34 -5.292 8.367 -9.549 254 HA ARG 34 HA ARG 34 -6.748 9.455 -7.469 255 HB2 ARG 34 1HB ARG 34 -7.555 7.919 -9.920 256 HB3 ARG 34 2HB ARG 34 -8.766 8.463 -8.766 257 HG2 ARG 34 1HG ARG 34 -8.311 10.722 -9.180 258 HG3 ARG 34 2HG ARG 34 -6.779 10.354 -9.975 259 HD2 ARG 34 1HD ARG 34 -8.150 9.132 -11.726 260 HD3 ARG 34 2HD ARG 34 -9.568 9.887 -10.999 261 HE ARG 34 HE ARG 34 -7.623 11.845 -11.597 262 HH11 ARG 34 1HH1 ARG 34 -9.942 9.747 -13.127 263 HH12 ARG 34 2HH1 ARG 34 -10.183 10.790 -14.489 264 HH21 ARG 34 1HH2 ARG 34 -7.931 13.228 -13.385 265 HH22 ARG 34 2HH2 ARG 34 -9.038 12.769 -14.635 266 H ARG 35 H ARG 35 -6.587 6.045 -8.471 267 HA ARG 35 HA ARG 35 -8.368 4.886 -6.767 268 HB2 ARG 35 1HB ARG 35 -7.161 3.565 -8.377 269 HB3 ARG 35 2HB ARG 35 -5.633 3.888 -7.568 270 HG2 ARG 35 1HG ARG 35 -6.492 2.660 -5.586 271 HG3 ARG 35 2HG ARG 35 -7.921 2.233 -6.529 272 HD2 ARG 35 1HD ARG 35 -6.585 1.025 -8.114 273 HD3 ARG 35 2HD ARG 35 -5.096 1.587 -7.356 274 HE ARG 35 HE ARG 35 -6.437 0.267 -5.371 275 HH11 ARG 35 1HH1 ARG 35 -5.306 -0.541 -8.563 276 HH12 ARG 35 2HH1 ARG 35 -5.054 -2.214 -8.192 277 HH21 ARG 35 1HH2 ARG 35 -6.109 -1.934 -4.870 278 HH22 ARG 35 2HH2 ARG 35 -5.512 -3.006 -6.091 279 H TRP 36 H TRP 36 -5.053 5.869 -6.000 280 HA TRP 36 HA TRP 36 -5.102 4.897 -3.329 281 HB2 TRP 36 1HB TRP 36 -3.344 7.147 -4.283 282 HB3 TRP 36 2HB TRP 36 -2.997 5.920 -3.067 283 HD1 TRP 36 HD TRP 36 -1.578 6.725 -6.104 284 HE1 TRP 36 1HE TRP 36 -0.859 4.697 -7.517 285 HE3 TRP 36 3HE TRP 36 -4.357 3.104 -3.801 286 HZ2 TRP 36 2HZ TRP 36 -1.399 1.929 -7.640 287 HZ3 TRP 36 3HZ TRP 36 -4.199 0.791 -4.628 288 HH2 TRP 36 HH TRP 36 -2.750 0.219 -6.508 289 H GLN 37 H GLN 37 -5.895 7.976 -4.830 290 HA GLN 37 HA GLN 37 -6.057 9.569 -2.546 291 HB2 GLN 37 1HB GLN 37 -7.225 9.663 -5.275 292 HB3 GLN 37 2HB GLN 37 -7.972 10.682 -4.052 293 HG2 GLN 37 1HG GLN 37 -5.013 10.715 -4.500 294 HG3 GLN 37 2HG GLN 37 -6.106 11.670 -5.501 295 HE21 GLN 37 1HE2 GLN 37 -4.814 11.204 -2.302 296 HE22 GLN 37 2HE2 GLN 37 -5.298 12.736 -1.666 297 H LYS 38 H LYS 38 -8.595 7.659 -4.146 298 HA LYS 38 HA LYS 38 -10.682 8.294 -2.399 299 HB2 LYS 38 1HB LYS 38 -10.180 5.815 -4.049 300 HB3 LYS 38 2HB LYS 38 -11.682 6.117 -3.185 301 HG2 LYS 38 1HG LYS 38 -12.227 7.946 -4.551 302 HG3 LYS 38 2HG LYS 38 -10.590 8.052 -5.201 303 HD2 LYS 38 1HD LYS 38 -10.897 5.908 -6.333 304 HD3 LYS 38 2HD LYS 38 -12.528 5.785 -5.669 305 HE2 LYS 38 1HE LYS 38 -11.811 8.224 -7.214 306 HE3 LYS 38 2HE LYS 38 -12.079 6.725 -8.101 307 HZ1 LYS 38 3HZ LYS 38 -13.988 8.174 -6.363 308 HZ2 LYS 38 1HZ LYS 38 -14.243 6.574 -6.852 309 HZ3 LYS 38 2HZ LYS 38 -14.145 7.806 -8.007 310 H ILE 39 H ILE 39 -8.330 5.641 -2.293 311 HA ILE 39 HA ILE 39 -9.365 4.335 -0.035 312 HB ILE 39 HB ILE 39 -6.586 4.433 -1.190 313 HG12 ILE 39 1HG1 ILE 39 -8.354 2.022 -1.001 314 HG13 ILE 39 2HG1 ILE 39 -8.666 3.227 -2.245 315 HG21 ILE 39 1HG2 ILE 39 -7.575 2.924 1.217 316 HG22 ILE 39 2HG2 ILE 39 -6.129 2.466 0.319 317 HG23 ILE 39 3HG2 ILE 39 -6.211 4.037 1.116 318 HD11 ILE 39 3HD1 ILE 39 -7.132 1.150 -2.700 319 HD12 ILE 39 1HD1 ILE 39 -6.763 2.729 -3.394 320 HD13 ILE 39 2HD1 ILE 39 -5.905 2.176 -1.956 321 H ALA 40 H ALA 40 -6.629 6.616 -0.253 322 HA ALA 40 HA ALA 40 -5.935 6.833 2.375 323 HB1 ALA 40 3HB ALA 40 -6.103 9.079 0.369 324 HB2 ALA 40 1HB ALA 40 -5.199 9.128 1.883 325 HB3 ALA 40 2HB ALA 40 -4.737 7.991 0.615 326 H ASP 41 H ASP 41 -8.448 8.767 0.747 327 HA ASP 41 HA ASP 41 -9.336 10.426 2.646 328 HB2 ASP 41 1HB ASP 41 -10.383 9.874 0.358 329 HB3 ASP 41 2HB ASP 41 -11.341 8.682 1.232 330 H GLU 42 H GLU 42 -10.441 7.039 2.459 331 HA GLU 42 HA GLU 42 -11.964 6.997 4.771 332 HB2 GLU 42 1HB GLU 42 -10.472 4.906 3.242 333 HB3 GLU 42 2HB GLU 42 -11.169 4.484 4.800 334 HG2 GLU 42 1HG GLU 42 -12.742 5.707 2.549 335 HG3 GLU 42 2HG GLU 42 -12.598 3.971 2.817 336 H LEU 43 H LEU 43 -8.571 5.945 4.441 337 HA LEU 43 HA LEU 43 -8.043 5.377 7.085 338 HB2 LEU 43 1HB LEU 43 -6.253 6.538 4.963 339 HB3 LEU 43 2HB LEU 43 -5.666 6.003 6.536 340 HG LEU 43 HG LEU 43 -7.165 4.113 4.763 341 HD11 LEU 43 1HD1 LEU 43 -4.183 4.397 4.643 342 HD12 LEU 43 2HD1 LEU 43 -5.238 5.273 3.535 343 HD13 LEU 43 3HD1 LEU 43 -5.259 3.510 3.563 344 HD21 LEU 43 3HD2 LEU 43 -6.816 2.936 6.644 345 HD22 LEU 43 1HD2 LEU 43 -5.527 4.004 7.197 346 HD23 LEU 43 2HD2 LEU 43 -5.181 2.745 6.011 347 H GLY 44 H GLY 44 -7.455 8.489 5.436 348 HA2 GLY 44 1HA GLY 44 -7.855 10.620 6.339 349 HA3 GLY 44 2HA GLY 44 -8.067 9.886 7.921 350 H ASN 45 H ASN 45 -5.714 8.461 8.176 351 HA ASN 45 HA ASN 45 -3.887 10.589 8.810 352 HB2 ASN 45 1HB ASN 45 -3.936 8.907 10.440 353 HB3 ASN 45 2HB ASN 45 -3.895 7.615 9.244 354 HD21 ASN 45 1HD2 ASN 45 -1.928 10.414 10.198 355 HD22 ASN 45 2HD2 ASN 45 -0.415 9.583 10.137 356 H ARG 46 H ARG 46 -3.878 7.798 6.617 357 HA ARG 46 HA ARG 46 -1.319 8.517 5.498 358 HB2 ARG 46 1HB ARG 46 -3.333 6.359 4.984 359 HB3 ARG 46 2HB ARG 46 -2.071 6.671 3.800 360 HG2 ARG 46 1HG ARG 46 -1.492 6.126 6.697 361 HG3 ARG 46 2HG ARG 46 -1.597 4.856 5.476 362 HD2 ARG 46 1HD ARG 46 0.230 5.793 4.249 363 HD3 ARG 46 2HD ARG 46 0.246 7.230 5.271 364 HE ARG 46 HE ARG 46 1.438 4.682 5.845 365 HH11 ARG 46 1HH1 ARG 46 0.123 7.595 7.224 366 HH12 ARG 46 2HH1 ARG 46 1.017 7.455 8.701 367 HH21 ARG 46 1HH2 ARG 46 2.620 4.486 7.786 368 HH22 ARG 46 2HH2 ARG 46 2.438 5.686 9.020 369 H THR 47 H THR 47 -1.187 8.578 3.008 370 HA THR 47 HA THR 47 -3.410 10.099 1.850 371 HB THR 47 HB THR 47 -1.957 11.810 0.961 372 HG1 THR 47 1HG THR 47 0.317 11.702 1.967 373 HG21 THR 47 3HG2 THR 47 -1.321 12.959 2.999 374 HG22 THR 47 1HG2 THR 47 -1.369 11.445 3.901 375 HG23 THR 47 2HG2 THR 47 -2.857 12.128 3.245 376 H ALA 48 H ALA 48 -3.333 10.236 -0.492 377 HA ALA 48 HA ALA 48 -3.147 7.968 -1.874 378 HB1 ALA 48 3HB ALA 48 -3.947 9.722 -3.130 379 HB2 ALA 48 1HB ALA 48 -2.591 10.774 -2.723 380 HB3 ALA 48 2HB ALA 48 -2.372 9.457 -3.877 381 H LYS 49 H LYS 49 -0.386 10.207 -1.585 382 HA LYS 49 HA LYS 49 1.483 8.632 -2.934 383 HB2 LYS 49 1HB LYS 49 1.637 10.851 -0.949 384 HB3 LYS 49 2HB LYS 49 3.101 9.929 -1.266 385 HG2 LYS 49 1HG LYS 49 1.565 10.935 -3.597 386 HG3 LYS 49 2HG LYS 49 2.484 12.099 -2.638 387 HD2 LYS 49 1HD LYS 49 3.948 11.388 -4.344 388 HD3 LYS 49 2HD LYS 49 4.461 10.524 -2.893 389 HE2 LYS 49 1HE LYS 49 2.460 9.218 -4.658 390 HE3 LYS 49 2HE LYS 49 4.126 9.301 -5.226 391 HZ1 LYS 49 3HZ LYS 49 3.383 8.239 -2.561 392 HZ2 LYS 49 1HZ LYS 49 4.873 8.104 -3.351 393 HZ3 LYS 49 2HZ LYS 49 3.527 7.261 -3.933 394 H GLN 50 H GLN 50 1.468 9.120 0.597 395 HA GLN 50 HA GLN 50 3.146 7.140 1.364 396 HB2 GLN 50 1HB GLN 50 0.550 7.762 2.781 397 HB3 GLN 50 2HB GLN 50 1.999 7.072 3.500 398 HG2 GLN 50 1HG GLN 50 3.167 9.222 2.769 399 HG3 GLN 50 2HG GLN 50 1.544 9.865 2.519 400 HE21 GLN 50 1HE2 GLN 50 3.957 9.979 4.589 401 HE22 GLN 50 2HE2 GLN 50 3.112 10.117 6.089 402 H VAL 51 H VAL 51 -0.139 6.755 0.234 403 HA VAL 51 HA VAL 51 -0.382 4.008 1.006 404 HB VAL 51 HB VAL 51 -1.983 5.598 -1.003 405 HG11 VAL 51 1HG1 VAL 51 -3.084 3.207 0.360 406 HG12 VAL 51 2HG1 VAL 51 -3.404 3.840 -1.256 407 HG13 VAL 51 3HG1 VAL 51 -1.922 2.938 -0.939 408 HG21 VAL 51 3HG2 VAL 51 -1.859 5.852 1.771 409 HG22 VAL 51 1HG2 VAL 51 -3.101 6.497 0.698 410 HG23 VAL 51 2HG2 VAL 51 -3.325 4.923 1.461 411 H ALA 52 H ALA 52 0.476 5.722 -1.961 412 HA ALA 52 HA ALA 52 0.511 3.570 -3.729 413 HB1 ALA 52 3HB ALA 52 2.555 5.138 -4.639 414 HB2 ALA 52 1HB ALA 52 0.843 5.397 -4.977 415 HB3 ALA 52 2HB ALA 52 1.625 6.272 -3.660 416 H SER 53 H SER 53 3.149 4.869 -1.724 417 HA SER 53 HA SER 53 5.170 3.148 -2.537 418 HB2 SER 53 1HB SER 53 5.286 5.190 -0.961 419 HB3 SER 53 2HB SER 53 4.892 4.049 0.325 420 HG SER 53 HG SER 53 6.761 2.910 -0.153 421 H GLN 54 H GLN 54 2.810 2.736 0.084 422 HA GLN 54 HA GLN 54 3.757 0.264 1.016 423 HB2 GLN 54 1HB GLN 54 1.962 1.932 1.978 424 HB3 GLN 54 2HB GLN 54 0.839 0.909 1.092 425 HG2 GLN 54 1HG GLN 54 0.927 0.121 3.327 426 HG3 GLN 54 2HG GLN 54 1.770 -1.050 2.315 427 HE21 GLN 54 1HE2 GLN 54 2.334 -1.337 4.816 428 HE22 GLN 54 2HE2 GLN 54 3.864 -0.663 5.250 429 H VAL 55 H VAL 55 1.234 1.032 -1.362 430 HA VAL 55 HA VAL 55 0.302 -1.501 -1.918 431 HB VAL 55 HB VAL 55 0.738 0.741 -3.896 432 HG11 VAL 55 1HG1 VAL 55 -0.542 -0.368 -5.430 433 HG12 VAL 55 2HG1 VAL 55 0.242 -1.743 -4.648 434 HG13 VAL 55 3HG1 VAL 55 -1.406 -1.295 -4.204 435 HG21 VAL 55 3HG2 VAL 55 -1.124 0.372 -1.709 436 HG22 VAL 55 1HG2 VAL 55 -0.819 1.797 -2.703 437 HG23 VAL 55 2HG2 VAL 55 -1.957 0.567 -3.252 438 H GLN 56 H GLN 56 3.180 0.109 -3.194 439 HA GLN 56 HA GLN 56 3.910 -1.722 -5.147 440 HB2 GLN 56 1HB GLN 56 5.477 0.142 -3.397 441 HB3 GLN 56 2HB GLN 56 6.315 -0.959 -4.482 442 HG2 GLN 56 1HG GLN 56 5.184 0.003 -6.388 443 HG3 GLN 56 2HG GLN 56 4.242 1.052 -5.329 444 HE21 GLN 56 1HE2 GLN 56 7.238 0.553 -6.922 445 HE22 GLN 56 2HE2 GLN 56 7.989 2.037 -6.455 446 H LYS 57 H LYS 57 4.784 -1.688 -1.701 447 HA LYS 57 HA LYS 57 6.116 -4.249 -1.923 448 HB2 LYS 57 1HB LYS 57 5.502 -2.564 0.513 449 HB3 LYS 57 2HB LYS 57 6.536 -3.987 0.487 450 HG2 LYS 57 1HG LYS 57 8.238 -2.901 -0.607 451 HG3 LYS 57 2HG LYS 57 7.157 -1.704 -1.326 452 HD2 LYS 57 1HD LYS 57 7.119 -0.404 0.566 453 HD3 LYS 57 2HD LYS 57 7.450 -1.766 1.639 454 HE2 LYS 57 1HE LYS 57 9.439 -0.573 1.690 455 HE3 LYS 57 2HE LYS 57 9.759 -1.816 0.481 456 HZ1 LYS 57 3HZ LYS 57 8.910 -0.007 -1.146 457 HZ2 LYS 57 1HZ LYS 57 10.497 0.072 -0.564 458 HZ3 LYS 57 2HZ LYS 57 9.301 1.063 0.104 459 H TYR 58 H TYR 58 3.223 -4.029 -2.496 460 HA TYR 58 HA TYR 58 2.287 -6.016 -0.535 461 HB2 TYR 58 1HB TYR 58 0.954 -3.547 -1.520 462 HB3 TYR 58 2HB TYR 58 -0.055 -4.970 -1.293 463 HD1 TYR 58 1HD TYR 58 2.809 -3.548 0.646 464 HD2 TYR 58 2HD TYR 58 -1.268 -4.765 0.658 465 HE1 TYR 58 1HE TYR 58 2.678 -3.063 3.054 466 HE2 TYR 58 2HE TYR 58 -1.411 -4.282 3.066 467 HH TYR 58 HH TYR 58 0.809 -4.152 5.050 468 H PHE 59 H PHE 59 2.339 -4.882 -3.840 469 HA PHE 59 HA PHE 59 1.087 -7.407 -4.699 470 HB2 PHE 59 1HB PHE 59 1.212 -4.737 -6.115 471 HB3 PHE 59 2HB PHE 59 0.560 -6.212 -6.823 472 HD1 PHE 59 2HD PHE 59 0.178 -4.364 -3.598 473 HD2 PHE 59 1HD PHE 59 -1.721 -6.295 -6.882 474 HE1 PHE 59 2HE PHE 59 -2.022 -3.854 -2.621 475 HE2 PHE 59 1HE PHE 59 -3.924 -5.788 -5.911 476 HZ PHE 59 HZ PHE 59 -4.077 -4.567 -3.777 477 H ILE 60 H ILE 60 3.671 -5.092 -5.403 478 HA ILE 60 HA ILE 60 4.879 -6.679 -7.439 479 HB ILE 60 HB ILE 60 6.084 -4.453 -5.790 480 HG12 ILE 60 1HG1 ILE 60 4.922 -4.337 -8.578 481 HG13 ILE 60 2HG1 ILE 60 4.033 -3.872 -7.131 482 HG21 ILE 60 1HG2 ILE 60 7.255 -6.256 -7.658 483 HG22 ILE 60 2HG2 ILE 60 7.234 -4.641 -8.365 484 HG23 ILE 60 3HG2 ILE 60 8.005 -4.908 -6.802 485 HD11 ILE 60 3HD1 ILE 60 6.664 -2.599 -7.522 486 HD12 ILE 60 1HD1 ILE 60 5.384 -2.142 -8.645 487 HD13 ILE 60 2HD1 ILE 60 5.153 -1.929 -6.909 488 H LYS 61 H LYS 61 5.406 -6.282 -3.974 489 HA LYS 61 HA LYS 61 7.804 -7.614 -3.655 490 HB2 LYS 61 1HB LYS 61 6.703 -6.471 -1.814 491 HB3 LYS 61 2HB LYS 61 5.381 -7.632 -1.845 492 HG2 LYS 61 1HG LYS 61 7.065 -9.411 -1.295 493 HG3 LYS 61 2HG LYS 61 8.234 -8.115 -1.030 494 HD2 LYS 61 1HD LYS 61 6.576 -7.133 0.609 495 HD3 LYS 61 2HD LYS 61 5.679 -8.647 0.472 496 HE2 LYS 61 1HE LYS 61 7.979 -9.738 1.019 497 HE3 LYS 61 2HE LYS 61 8.385 -8.140 1.643 498 HZ1 LYS 61 3HZ LYS 61 5.913 -9.514 2.489 499 HZ2 LYS 61 1HZ LYS 61 6.762 -8.278 3.273 500 HZ3 LYS 61 2HZ LYS 61 7.391 -9.847 3.242 501 H LEU 62 H LEU 62 4.540 -8.972 -3.881 502 HA LEU 62 HA LEU 62 5.236 -11.650 -3.385 503 HB2 LEU 62 1HB LEU 62 3.002 -10.726 -5.174 504 HB3 LEU 62 2HB LEU 62 3.097 -12.225 -4.252 505 HG LEU 62 HG LEU 62 3.106 -9.642 -2.768 506 HD11 LEU 62 1HD1 LEU 62 1.303 -9.433 -4.452 507 HD12 LEU 62 2HD1 LEU 62 0.707 -9.501 -2.794 508 HD13 LEU 62 3HD1 LEU 62 0.594 -10.923 -3.831 509 HD21 LEU 62 3HD2 LEU 62 2.120 -12.443 -2.291 510 HD22 LEU 62 1HD2 LEU 62 1.699 -11.093 -1.237 511 HD23 LEU 62 2HD2 LEU 62 3.387 -11.565 -1.433 512 H THR 63 H THR 63 5.053 -9.784 -6.383 513 HA THR 63 HA THR 63 5.503 -11.899 -8.174 514 HB THR 63 HB THR 63 6.199 -8.970 -8.453 515 HG1 THR 63 1HG THR 63 4.068 -10.271 -9.755 516 HG21 THR 63 3HG2 THR 63 6.563 -9.301 -10.743 517 HG22 THR 63 1HG2 THR 63 5.838 -10.908 -10.720 518 HG23 THR 63 2HG2 THR 63 7.417 -10.642 -9.981 519 H LYS 64 H LYS 64 7.830 -9.467 -6.985 520 HA LYS 64 HA LYS 64 10.123 -9.466 -7.005 521 HB2 LYS 64 1HB LYS 64 9.291 -11.052 -5.092 522 HB3 LYS 64 2HB LYS 64 9.986 -12.318 -6.095 523 HG2 LYS 64 1HG LYS 64 11.784 -11.856 -4.795 524 HG3 LYS 64 2HG LYS 64 12.065 -10.679 -6.081 525 HD2 LYS 64 1HD LYS 64 10.398 -9.876 -3.745 526 HD3 LYS 64 2HD LYS 64 12.148 -9.977 -3.541 527 HE2 LYS 64 1HE LYS 64 11.984 -7.810 -4.224 528 HE3 LYS 64 2HE LYS 64 12.118 -8.591 -5.798 529 HZ1 LYS 64 3HZ LYS 64 10.200 -7.649 -6.323 530 HZ2 LYS 64 1HZ LYS 64 9.985 -7.056 -4.753 531 HZ3 LYS 64 2HZ LYS 64 9.431 -8.602 -5.156 532 H ALA 65 H ALA 65 9.340 -9.858 -9.540 533 HA ALA 65 HA ALA 65 10.940 -12.117 -10.539 534 HB1 ALA 65 3HB ALA 65 9.701 -11.416 -12.742 535 HB2 ALA 65 1HB ALA 65 8.886 -12.394 -11.520 536 HB3 ALA 65 2HB ALA 65 8.574 -10.660 -11.615 537 H GLY 66 H GLY 66 11.619 -11.410 -13.007 538 HA2 GLY 66 1HA GLY 66 13.919 -10.021 -12.900 539 HA3 GLY 66 2HA GLY 66 12.899 -10.001 -14.331 540 H ILE 67 H ILE 67 10.748 -8.611 -12.767 541 HA ILE 67 HA ILE 67 10.896 -6.088 -13.590 542 HB ILE 67 HB ILE 67 9.861 -7.108 -10.965 543 HG12 ILE 67 1HG1 ILE 67 8.406 -5.871 -13.305 544 HG13 ILE 67 2HG1 ILE 67 8.737 -7.596 -13.183 545 HG21 ILE 67 1HG2 ILE 67 10.586 -4.822 -10.545 546 HG22 ILE 67 2HG2 ILE 67 9.685 -4.265 -11.954 547 HG23 ILE 67 3HG2 ILE 67 8.826 -4.926 -10.562 548 HD11 ILE 67 3HD1 ILE 67 6.630 -7.526 -12.336 549 HD12 ILE 67 1HD1 ILE 67 7.556 -7.311 -10.851 550 HD13 ILE 67 2HD1 ILE 67 6.836 -5.914 -11.652 551 HA PRO 68 HA PRO 68 14.535 -4.264 -11.855 552 HB2 PRO 68 1HB PRO 68 13.992 -1.694 -12.541 553 HB3 PRO 68 2HB PRO 68 14.537 -2.905 -13.707 554 HG2 PRO 68 1HG PRO 68 11.764 -1.923 -13.153 555 HG3 PRO 68 2HG PRO 68 12.548 -2.242 -14.712 556 HD2 PRO 68 1HD PRO 68 10.821 -3.984 -13.566 557 HD3 PRO 68 2HD PRO 68 12.184 -4.513 -14.573 558 H VAL 69 H VAL 69 15.043 -2.282 -10.449 559 HA VAL 69 HA VAL 69 12.903 -1.891 -8.459 560 HB VAL 69 HB VAL 69 14.584 -3.422 -7.559 561 HG11 VAL 69 1HG1 VAL 69 16.648 -1.268 -7.607 562 HG12 VAL 69 2HG1 VAL 69 16.849 -3.017 -7.488 563 HG13 VAL 69 3HG1 VAL 69 16.419 -2.281 -9.032 564 HG21 VAL 69 3HG2 VAL 69 13.656 -2.230 -5.827 565 HG22 VAL 69 1HG2 VAL 69 15.362 -1.834 -5.624 566 HG23 VAL 69 2HG2 VAL 69 14.279 -0.687 -6.411 567 H SER 70 H SER 70 12.320 0.165 -8.351 568 HA SER 70 HA SER 70 14.270 2.238 -9.085 569 HB2 SER 70 1HB SER 70 11.248 2.239 -9.046 570 HB3 SER 70 2HB SER 70 12.207 3.701 -9.283 571 HG SER 70 HG SER 70 13.236 2.172 -10.997 572 H GLY 71 H GLY 71 14.493 4.118 -7.807 573 HA2 GLY 71 1HA GLY 71 13.931 3.627 -4.969 574 HA3 GLY 71 2HA GLY 71 15.126 4.749 -5.603 575 HA PRO 72 HA PRO 72 10.801 6.706 -4.738 576 HB2 PRO 72 1HB PRO 72 10.993 7.318 -2.100 577 HB3 PRO 72 2HB PRO 72 10.280 5.810 -2.687 578 HG2 PRO 72 1HG PRO 72 13.032 6.316 -1.621 579 HG3 PRO 72 2HG PRO 72 11.937 4.960 -1.294 580 HD2 PRO 72 1HD PRO 72 13.997 4.780 -3.042 581 HD3 PRO 72 2HD PRO 72 12.480 3.884 -3.258 582 H SER 73 H SER 73 13.884 7.462 -3.126 583 HA SER 73 HA SER 73 13.686 10.156 -2.779 584 HB2 SER 73 1HB SER 73 15.674 8.585 -2.296 585 HB3 SER 73 2HB SER 73 16.198 8.962 -3.937 586 HG SER 73 HG SER 73 16.914 10.327 -2.008 587 H SER 74 H SER 74 15.337 8.829 -5.645 588 HA SER 74 HA SER 74 14.126 10.992 -7.237 589 HB2 SER 74 1HB SER 74 16.337 10.942 -8.550 590 HB3 SER 74 2HB SER 74 16.355 11.719 -6.967 591 HG SER 74 HG SER 74 17.169 9.054 -7.517 592 H GLY 75 H GLY 75 15.499 7.745 -7.183 593 HA2 GLY 75 1HA GLY 75 14.441 5.941 -8.341 594 HA3 GLY 75 2HA GLY 75 13.839 7.095 -9.522 Start of MODEL 15 1 H1 GLY 1 H GLY 1 15.787 -7.090 6.527 2 HA2 GLY 1 1HA GLY 1 15.589 -4.429 6.924 3 HA3 GLY 1 2HA GLY 1 14.272 -5.048 7.910 4 H SER 2 H SER 2 15.492 -4.038 9.671 5 HA SER 2 HA SER 2 17.876 -5.537 10.490 6 HB2 SER 2 1HB SER 2 18.037 -3.068 10.462 7 HB3 SER 2 2HB SER 2 16.725 -2.981 11.637 8 HG SER 2 HG SER 2 18.134 -3.338 13.140 9 H SER 3 H SER 3 15.480 -6.924 10.662 10 HA SER 3 HA SER 3 14.068 -8.028 12.084 11 HB2 SER 3 1HB SER 3 16.596 -7.821 13.729 12 HB3 SER 3 2HB SER 3 15.221 -8.826 14.188 13 HG SER 3 HG SER 3 15.830 -10.250 12.774 14 H GLY 4 H GLY 4 13.551 -5.300 12.092 15 HA2 GLY 4 1HA GLY 4 12.072 -3.978 13.310 16 HA3 GLY 4 2HA GLY 4 12.311 -5.033 14.695 17 H SER 5 H SER 5 12.489 -1.988 14.052 18 HA SER 5 HA SER 5 14.983 -1.574 15.563 19 HB2 SER 5 1HB SER 5 14.985 -0.861 13.071 20 HB3 SER 5 2HB SER 5 13.944 0.459 13.603 21 HG SER 5 HG SER 5 15.572 1.336 14.683 22 H SER 6 H SER 6 11.744 -0.393 14.812 23 HA SER 6 HA SER 6 10.230 0.793 16.028 24 HB2 SER 6 1HB SER 6 10.727 -0.899 17.771 25 HB3 SER 6 2HB SER 6 12.022 0.133 18.379 26 HG SER 6 HG SER 6 9.637 0.203 19.223 27 H GLY 7 H GLY 7 12.143 2.260 14.683 28 HA2 GLY 7 1HA GLY 7 12.235 4.654 16.362 29 HA3 GLY 7 2HA GLY 7 13.757 4.078 15.699 30 H ASN 8 H ASN 8 10.493 4.297 14.298 31 HA ASN 8 HA ASN 8 11.058 6.515 12.645 32 HB2 ASN 8 1HB ASN 8 10.919 5.047 10.469 33 HB3 ASN 8 2HB ASN 8 12.468 5.305 11.266 34 HD21 ASN 8 1HD2 ASN 8 13.441 3.450 10.620 35 HD22 ASN 8 2HD2 ASN 8 12.930 1.875 11.112 36 H GLN 9 H GLN 9 9.350 6.807 10.941 37 HA GLN 9 HA GLN 9 6.793 6.245 12.086 38 HB2 GLN 9 1HB GLN 9 5.907 7.471 10.128 39 HB3 GLN 9 2HB GLN 9 7.172 8.359 10.966 40 HG2 GLN 9 1HG GLN 9 8.746 7.307 9.209 41 HG3 GLN 9 2HG GLN 9 7.262 7.007 8.305 42 HE21 GLN 9 1HE2 GLN 9 7.505 8.422 6.673 43 HE22 GLN 9 2HE2 GLN 9 7.627 10.134 6.871 44 H LEU 10 H LEU 10 6.661 3.967 12.061 45 HA LEU 10 HA LEU 10 6.553 2.672 9.440 46 HB2 LEU 10 1HB LEU 10 6.914 1.752 12.235 47 HB3 LEU 10 2HB LEU 10 6.119 0.647 11.116 48 HG LEU 10 HG LEU 10 8.813 1.865 10.553 49 HD11 LEU 10 1HD1 LEU 10 8.228 -0.792 11.851 50 HD12 LEU 10 2HD1 LEU 10 8.921 0.613 12.659 51 HD13 LEU 10 3HD1 LEU 10 9.814 -0.189 11.367 52 HD21 LEU 10 3HD2 LEU 10 9.011 0.133 8.931 53 HD22 LEU 10 1HD2 LEU 10 7.445 0.907 8.686 54 HD23 LEU 10 2HD2 LEU 10 7.538 -0.654 9.502 55 H TRP 11 H TRP 11 4.787 0.970 9.211 56 HA TRP 11 HA TRP 11 2.252 2.291 9.552 57 HB2 TRP 11 1HB TRP 11 3.213 -0.156 8.135 58 HB3 TRP 11 2HB TRP 11 1.493 -0.010 8.487 59 HD1 TRP 11 HD TRP 11 4.140 2.435 7.006 60 HE1 TRP 11 1HE TRP 11 3.098 3.552 4.935 61 HE3 TRP 11 3HE TRP 11 -0.431 0.145 7.062 62 HZ2 TRP 11 2HZ TRP 11 0.660 3.474 3.513 63 HZ3 TRP 11 3HZ TRP 11 -2.061 0.723 5.312 64 HH2 TRP 11 HH TRP 11 -1.525 2.353 3.575 65 H THR 12 H THR 12 0.519 1.631 10.788 66 HA THR 12 HA THR 12 1.197 -0.119 13.031 67 HB THR 12 HB THR 12 0.297 2.084 13.597 68 HG1 THR 12 1HG THR 12 -1.122 -0.259 14.216 69 HG21 THR 12 3HG2 THR 12 -1.114 2.252 11.500 70 HG22 THR 12 1HG2 THR 12 -1.881 2.806 12.988 71 HG23 THR 12 2HG2 THR 12 -2.293 1.228 12.318 72 H VAL 13 H VAL 13 0.058 -1.945 13.560 73 HA VAL 13 HA VAL 13 -0.860 -3.700 11.784 74 HB VAL 13 HB VAL 13 -2.160 -3.245 14.473 75 HG11 VAL 13 1HG1 VAL 13 -3.139 -5.328 14.336 76 HG12 VAL 13 2HG1 VAL 13 -3.297 -4.755 12.675 77 HG13 VAL 13 3HG1 VAL 13 -2.016 -5.892 13.099 78 HG21 VAL 13 3HG2 VAL 13 -0.592 -5.012 15.225 79 HG22 VAL 13 1HG2 VAL 13 0.183 -4.951 13.642 80 HG23 VAL 13 2HG2 VAL 13 0.222 -3.539 14.697 81 H GLU 14 H GLU 14 -3.325 -1.915 13.631 82 HA GLU 14 HA GLU 14 -5.553 -2.406 12.260 83 HB2 GLU 14 1HB GLU 14 -6.314 -0.077 12.719 84 HB3 GLU 14 2HB GLU 14 -5.592 -0.873 14.110 85 HG2 GLU 14 1HG GLU 14 -3.477 0.317 13.643 86 HG3 GLU 14 2HG GLU 14 -4.287 1.176 12.335 87 H GLU 15 H GLU 15 -3.105 -0.066 11.204 88 HA GLU 15 HA GLU 15 -4.491 0.688 8.836 89 HB2 GLU 15 1HB GLU 15 -1.755 1.120 9.939 90 HB3 GLU 15 2HB GLU 15 -2.008 1.403 8.223 91 HG2 GLU 15 1HG GLU 15 -2.246 3.376 9.839 92 HG3 GLU 15 2HG GLU 15 -3.473 3.157 8.592 93 H GLN 16 H GLN 16 -1.724 -1.466 9.438 94 HA GLN 16 HA GLN 16 -1.055 -2.264 6.936 95 HB2 GLN 16 1HB GLN 16 -1.189 -3.735 9.533 96 HB3 GLN 16 2HB GLN 16 -0.810 -4.634 8.070 97 HG2 GLN 16 1HG GLN 16 0.931 -2.671 7.750 98 HG3 GLN 16 2HG GLN 16 0.775 -2.580 9.504 99 HE21 GLN 16 1HE2 GLN 16 1.084 -4.627 10.685 100 HE22 GLN 16 2HE2 GLN 16 2.270 -5.736 10.097 101 H LYS 17 H LYS 17 -3.590 -3.839 8.890 102 HA LYS 17 HA LYS 17 -4.517 -5.448 6.732 103 HB2 LYS 17 1HB LYS 17 -6.409 -5.974 8.238 104 HB3 LYS 17 2HB LYS 17 -4.847 -6.170 9.021 105 HG2 LYS 17 1HG LYS 17 -5.119 -4.046 10.158 106 HG3 LYS 17 2HG LYS 17 -6.654 -3.780 9.327 107 HD2 LYS 17 1HD LYS 17 -7.760 -5.354 10.580 108 HD3 LYS 17 2HD LYS 17 -6.295 -6.287 10.897 109 HE2 LYS 17 1HE LYS 17 -5.521 -4.413 12.360 110 HE3 LYS 17 2HE LYS 17 -7.102 -3.664 12.146 111 HZ1 LYS 17 3HZ LYS 17 -7.357 -4.831 14.098 112 HZ2 LYS 17 1HZ LYS 17 -6.402 -6.132 13.589 113 HZ3 LYS 17 2HZ LYS 17 -7.964 -5.937 12.971 114 H LYS 18 H LYS 18 -5.737 -2.489 8.271 115 HA LYS 18 HA LYS 18 -8.098 -2.115 6.951 116 HB2 LYS 18 1HB LYS 18 -7.253 -0.598 8.685 117 HB3 LYS 18 2HB LYS 18 -6.034 0.007 7.571 118 HG2 LYS 18 1HG LYS 18 -7.528 1.259 6.394 119 HG3 LYS 18 2HG LYS 18 -8.878 0.176 6.741 120 HD2 LYS 18 1HD LYS 18 -8.964 0.997 9.034 121 HD3 LYS 18 2HD LYS 18 -7.579 2.046 8.724 122 HE2 LYS 18 1HE LYS 18 -9.463 3.439 8.537 123 HE3 LYS 18 2HE LYS 18 -8.982 3.089 6.878 124 HZ1 LYS 18 3HZ LYS 18 -11.028 2.360 6.524 125 HZ2 LYS 18 1HZ LYS 18 -11.444 2.564 8.152 126 HZ3 LYS 18 2HZ LYS 18 -10.767 1.105 7.628 127 H LEU 19 H LEU 19 -4.855 -1.324 5.757 128 HA LEU 19 HA LEU 19 -5.672 -0.146 3.332 129 HB2 LEU 19 1HB LEU 19 -3.480 0.301 3.937 130 HB3 LEU 19 2HB LEU 19 -3.136 -1.386 4.314 131 HG LEU 19 HG LEU 19 -3.181 -1.882 1.878 132 HD11 LEU 19 1HD1 LEU 19 -4.481 -0.231 0.894 133 HD12 LEU 19 2HD1 LEU 19 -2.841 0.225 0.433 134 HD13 LEU 19 3HD1 LEU 19 -3.655 1.072 1.749 135 HD21 LEU 19 3HD2 LEU 19 -1.213 -0.279 3.314 136 HD22 LEU 19 1HD2 LEU 19 -1.092 -0.130 1.561 137 HD23 LEU 19 2HD2 LEU 19 -0.996 -1.720 2.319 138 H GLU 20 H GLU 20 -4.618 -3.461 4.079 139 HA GLU 20 HA GLU 20 -4.743 -4.572 1.562 140 HB2 GLU 20 1HB GLU 20 -5.480 -5.811 4.217 141 HB3 GLU 20 2HB GLU 20 -5.275 -6.725 2.729 142 HG2 GLU 20 1HG GLU 20 -2.934 -5.631 2.663 143 HG3 GLU 20 2HG GLU 20 -3.223 -5.308 4.371 144 H GLN 21 H GLN 21 -7.383 -4.098 3.875 145 HA GLN 21 HA GLN 21 -9.375 -5.376 2.327 146 HB2 GLN 21 1HB GLN 21 -9.512 -3.343 4.549 147 HB3 GLN 21 2HB GLN 21 -10.951 -4.010 3.790 148 HG2 GLN 21 1HG GLN 21 -8.870 -5.830 4.916 149 HG3 GLN 21 2HG GLN 21 -10.047 -5.056 5.976 150 HE21 GLN 21 1HE2 GLN 21 -9.451 -7.585 3.800 151 HE22 GLN 21 2HE2 GLN 21 -11.046 -8.247 3.755 152 H LEU 22 H LEU 22 -8.786 -1.900 2.881 153 HA LEU 22 HA LEU 22 -10.632 -0.819 1.186 154 HB2 LEU 22 1HB LEU 22 -7.804 0.088 1.686 155 HB3 LEU 22 2HB LEU 22 -9.018 1.061 0.859 156 HG LEU 22 HG LEU 22 -9.630 0.055 3.595 157 HD11 LEU 22 1HD1 LEU 22 -7.401 1.817 2.926 158 HD12 LEU 22 2HD1 LEU 22 -7.772 0.972 4.429 159 HD13 LEU 22 3HD1 LEU 22 -8.542 2.518 4.074 160 HD21 LEU 22 3HD2 LEU 22 -10.556 2.496 3.587 161 HD22 LEU 22 1HD2 LEU 22 -11.416 1.219 2.726 162 HD23 LEU 22 2HD2 LEU 22 -10.391 2.345 1.837 163 H LEU 23 H LEU 23 -7.313 -1.754 0.286 164 HA LEU 23 HA LEU 23 -7.145 -1.098 -2.307 165 HB2 LEU 23 1HB LEU 23 -6.341 -3.622 -0.914 166 HB3 LEU 23 2HB LEU 23 -6.041 -3.419 -2.639 167 HG LEU 23 HG LEU 23 -5.023 -1.480 -0.574 168 HD11 LEU 23 1HD1 LEU 23 -3.293 -2.788 -0.058 169 HD12 LEU 23 2HD1 LEU 23 -3.071 -3.303 -1.730 170 HD13 LEU 23 3HD1 LEU 23 -4.256 -4.115 -0.708 171 HD21 LEU 23 3HD2 LEU 23 -3.564 -1.914 -3.068 172 HD22 LEU 23 1HD2 LEU 23 -4.042 -0.412 -2.277 173 HD23 LEU 23 2HD2 LEU 23 -5.194 -1.278 -3.296 174 H ILE 24 H ILE 24 -8.922 -3.920 -1.091 175 HA ILE 24 HA ILE 24 -9.868 -4.638 -3.714 176 HB ILE 24 HB ILE 24 -10.735 -5.644 -1.001 177 HG12 ILE 24 1HG1 ILE 24 -9.062 -7.186 -2.948 178 HG13 ILE 24 2HG1 ILE 24 -8.294 -5.982 -1.919 179 HG21 ILE 24 1HG2 ILE 24 -11.541 -7.608 -2.405 180 HG22 ILE 24 2HG2 ILE 24 -12.494 -6.127 -2.477 181 HG23 ILE 24 3HG2 ILE 24 -11.392 -6.530 -3.793 182 HD11 ILE 24 3HD1 ILE 24 -8.142 -7.529 -0.351 183 HD12 ILE 24 1HD1 ILE 24 -9.900 -7.501 -0.217 184 HD13 ILE 24 2HD1 ILE 24 -9.116 -8.654 -1.297 185 H LYS 25 H LYS 25 -11.184 -3.034 -0.858 186 HA LYS 25 HA LYS 25 -13.857 -2.898 -1.500 187 HB2 LYS 25 1HB LYS 25 -12.895 -2.078 0.615 188 HB3 LYS 25 2HB LYS 25 -12.186 -0.715 -0.240 189 HG2 LYS 25 1HG LYS 25 -14.495 -0.017 -0.884 190 HG3 LYS 25 2HG LYS 25 -15.109 -1.285 0.179 191 HD2 LYS 25 1HD LYS 25 -14.113 -0.251 2.096 192 HD3 LYS 25 2HD LYS 25 -13.257 0.915 1.084 193 HE2 LYS 25 1HE LYS 25 -16.236 0.761 0.961 194 HE3 LYS 25 2HE LYS 25 -15.466 1.592 2.311 195 HZ1 LYS 25 3HZ LYS 25 -15.465 2.293 -0.542 196 HZ2 LYS 25 1HZ LYS 25 -14.158 2.768 0.422 197 HZ3 LYS 25 2HZ LYS 25 -15.723 3.282 0.807 198 H TYR 26 H TYR 26 -11.354 -0.518 -2.384 199 HA TYR 26 HA TYR 26 -13.180 0.792 -4.215 200 HB2 TYR 26 1HB TYR 26 -10.330 1.333 -3.391 201 HB3 TYR 26 2HB TYR 26 -11.130 2.242 -4.669 202 HD1 TYR 26 1HD TYR 26 -12.961 3.774 -4.148 203 HD2 TYR 26 2HD TYR 26 -10.937 1.642 -1.071 204 HE1 TYR 26 1HE TYR 26 -13.934 5.285 -2.469 205 HE2 TYR 26 2HE TYR 26 -11.905 3.147 0.616 206 HH TYR 26 HH TYR 26 -13.872 5.931 -0.317 207 HA PRO 27 HA PRO 27 -11.920 -1.820 -7.592 208 HB2 PRO 27 1HB PRO 27 -13.379 -0.544 -9.493 209 HB3 PRO 27 2HB PRO 27 -14.093 -1.657 -8.320 210 HG2 PRO 27 1HG PRO 27 -14.018 1.335 -8.288 211 HG3 PRO 27 2HG PRO 27 -15.361 0.246 -7.897 212 HD2 PRO 27 1HD PRO 27 -13.841 1.428 -5.992 213 HD3 PRO 27 2HD PRO 27 -14.563 -0.180 -5.776 214 HA PRO 28 HA PRO 28 -8.749 0.317 -9.762 215 HB2 PRO 28 1HB PRO 28 -8.926 -0.715 -12.266 216 HB3 PRO 28 2HB PRO 28 -8.316 -1.638 -10.887 217 HG2 PRO 28 1HG PRO 28 -11.036 -1.674 -12.137 218 HG3 PRO 28 2HG PRO 28 -10.044 -3.033 -11.577 219 HD2 PRO 28 1HD PRO 28 -12.092 -2.026 -10.120 220 HD3 PRO 28 2HD PRO 28 -10.640 -2.723 -9.372 221 H GLU 29 H GLU 29 -8.257 1.807 -11.529 222 HA GLU 29 HA GLU 29 -10.540 2.979 -12.909 223 HB2 GLU 29 1HB GLU 29 -9.725 5.289 -12.170 224 HB3 GLU 29 2HB GLU 29 -10.620 4.336 -10.994 225 HG2 GLU 29 1HG GLU 29 -8.374 5.594 -10.386 226 HG3 GLU 29 2HG GLU 29 -8.831 4.065 -9.638 227 H GLU 30 H GLU 30 -9.504 5.128 -14.068 228 HA GLU 30 HA GLU 30 -7.537 4.004 -15.859 229 HB2 GLU 30 1HB GLU 30 -7.826 6.432 -16.865 230 HB3 GLU 30 2HB GLU 30 -9.050 5.193 -17.102 231 HG2 GLU 30 1HG GLU 30 -10.440 6.121 -15.422 232 HG3 GLU 30 2HG GLU 30 -9.164 7.207 -14.876 233 H VAL 31 H VAL 31 -7.669 6.422 -13.336 234 HA VAL 31 HA VAL 31 -4.832 7.057 -13.798 235 HB VAL 31 HB VAL 31 -6.814 8.597 -12.119 236 HG11 VAL 31 1HG1 VAL 31 -4.522 8.911 -11.404 237 HG12 VAL 31 2HG1 VAL 31 -4.027 9.263 -13.061 238 HG13 VAL 31 3HG1 VAL 31 -5.105 10.368 -12.208 239 HG21 VAL 31 3HG2 VAL 31 -7.262 9.993 -13.886 240 HG22 VAL 31 1HG2 VAL 31 -5.758 9.600 -14.718 241 HG23 VAL 31 2HG2 VAL 31 -7.097 8.452 -14.727 242 H GLU 32 H GLU 32 -3.897 5.323 -12.730 243 HA GLU 32 HA GLU 32 -4.525 4.082 -10.417 244 HB2 GLU 32 1HB GLU 32 -2.396 3.944 -11.989 245 HB3 GLU 32 2HB GLU 32 -1.675 4.913 -10.711 246 HG2 GLU 32 1HG GLU 32 -2.079 3.221 -9.089 247 HG3 GLU 32 2HG GLU 32 -3.064 2.294 -10.220 248 H SER 33 H SER 33 -3.402 7.350 -10.745 249 HA SER 33 HA SER 33 -2.586 7.791 -8.077 250 HB2 SER 33 1HB SER 33 -3.765 9.923 -9.851 251 HB3 SER 33 2HB SER 33 -2.505 10.086 -8.628 252 HG SER 33 HG SER 33 -2.064 9.854 -11.116 253 H ARG 34 H ARG 34 -5.522 9.066 -9.651 254 HA ARG 34 HA ARG 34 -6.895 9.935 -7.481 255 HB2 ARG 34 1HB ARG 34 -8.824 9.891 -8.769 256 HB3 ARG 34 2HB ARG 34 -7.563 9.864 -9.995 257 HG2 ARG 34 1HG ARG 34 -7.860 7.538 -10.369 258 HG3 ARG 34 2HG ARG 34 -8.911 7.385 -8.959 259 HD2 ARG 34 1HD ARG 34 -9.533 9.034 -11.407 260 HD3 ARG 34 2HD ARG 34 -10.143 7.406 -11.108 261 HE ARG 34 HE ARG 34 -10.947 8.706 -8.910 262 HH11 ARG 34 1HH1 ARG 34 -11.172 9.513 -12.289 263 HH12 ARG 34 2HH1 ARG 34 -12.639 10.417 -12.110 264 HH21 ARG 34 1HH2 ARG 34 -12.879 9.893 -8.661 265 HH22 ARG 34 2HH2 ARG 34 -13.609 10.633 -10.045 266 H ARG 35 H ARG 35 -6.427 6.609 -8.462 267 HA ARG 35 HA ARG 35 -8.376 5.371 -6.889 268 HB2 ARG 35 1HB ARG 35 -7.095 4.199 -8.628 269 HB3 ARG 35 2HB ARG 35 -5.639 4.336 -7.651 270 HG2 ARG 35 1HG ARG 35 -6.714 2.964 -5.908 271 HG3 ARG 35 2HG ARG 35 -8.119 2.776 -6.959 272 HD2 ARG 35 1HD ARG 35 -6.974 1.450 -8.471 273 HD3 ARG 35 2HD ARG 35 -5.399 2.060 -7.966 274 HE ARG 35 HE ARG 35 -6.425 0.736 -5.781 275 HH11 ARG 35 1HH1 ARG 35 -5.616 -0.062 -9.072 276 HH12 ARG 35 2HH1 ARG 35 -5.225 -1.712 -8.713 277 HH21 ARG 35 1HH2 ARG 35 -5.914 -1.433 -5.296 278 HH22 ARG 35 2HH2 ARG 35 -5.396 -2.491 -6.565 279 H TRP 36 H TRP 36 -4.915 5.811 -6.140 280 HA TRP 36 HA TRP 36 -4.958 4.853 -3.543 281 HB2 TRP 36 1HB TRP 36 -3.254 7.182 -4.428 282 HB3 TRP 36 2HB TRP 36 -2.876 5.964 -3.214 283 HD1 TRP 36 HD TRP 36 -1.576 6.813 -6.328 284 HE1 TRP 36 1HE TRP 36 -0.785 4.795 -7.716 285 HE3 TRP 36 3HE TRP 36 -4.056 3.096 -3.843 286 HZ2 TRP 36 2HZ TRP 36 -1.163 1.997 -7.753 287 HZ3 TRP 36 3HZ TRP 36 -3.788 0.777 -4.618 288 HH2 TRP 36 HH TRP 36 -2.371 0.241 -6.533 289 H GLN 37 H GLN 37 -5.927 7.980 -4.784 290 HA GLN 37 HA GLN 37 -6.030 9.393 -2.360 291 HB2 GLN 37 1HB GLN 37 -7.241 9.701 -5.055 292 HB3 GLN 37 2HB GLN 37 -7.985 10.599 -3.739 293 HG2 GLN 37 1HG GLN 37 -5.036 10.743 -4.040 294 HG3 GLN 37 2HG GLN 37 -6.040 11.615 -5.197 295 HE21 GLN 37 1HE2 GLN 37 -4.968 11.403 -1.917 296 HE22 GLN 37 2HE2 GLN 37 -5.620 12.911 -1.384 297 H LYS 38 H LYS 38 -8.566 7.592 -4.087 298 HA LYS 38 HA LYS 38 -10.657 8.040 -2.309 299 HB2 LYS 38 1HB LYS 38 -10.082 5.617 -4.021 300 HB3 LYS 38 2HB LYS 38 -11.611 5.912 -3.206 301 HG2 LYS 38 1HG LYS 38 -11.695 8.104 -4.492 302 HG3 LYS 38 2HG LYS 38 -10.378 7.448 -5.468 303 HD2 LYS 38 1HD LYS 38 -12.001 5.373 -5.636 304 HD3 LYS 38 2HD LYS 38 -13.227 6.596 -5.290 305 HE2 LYS 38 1HE LYS 38 -12.111 7.941 -7.179 306 HE3 LYS 38 2HE LYS 38 -11.350 6.414 -7.624 307 HZ1 LYS 38 3HZ LYS 38 -13.870 7.290 -8.330 308 HZ2 LYS 38 1HZ LYS 38 -14.127 6.051 -7.207 309 HZ3 LYS 38 2HZ LYS 38 -13.211 5.755 -8.598 310 H ILE 39 H ILE 39 -8.137 5.561 -2.262 311 HA ILE 39 HA ILE 39 -9.177 4.152 -0.021 312 HB ILE 39 HB ILE 39 -6.438 4.201 -1.277 313 HG12 ILE 39 1HG1 ILE 39 -8.247 1.825 -1.147 314 HG13 ILE 39 2HG1 ILE 39 -8.621 3.106 -2.294 315 HG21 ILE 39 1HG2 ILE 39 -6.159 2.061 0.151 316 HG22 ILE 39 2HG2 ILE 39 -5.894 3.634 0.903 317 HG23 ILE 39 3HG2 ILE 39 -7.411 2.775 1.166 318 HD11 ILE 39 3HD1 ILE 39 -7.356 1.500 -3.461 319 HD12 ILE 39 1HD1 ILE 39 -6.269 2.855 -3.155 320 HD13 ILE 39 2HD1 ILE 39 -6.159 1.396 -2.170 321 H ALA 40 H ALA 40 -6.398 6.368 -0.337 322 HA ALA 40 HA ALA 40 -5.605 6.510 2.283 323 HB1 ALA 40 3HB ALA 40 -5.711 8.996 0.616 324 HB2 ALA 40 1HB ALA 40 -4.467 8.464 1.748 325 HB3 ALA 40 2HB ALA 40 -4.640 7.662 0.187 326 H ASP 41 H ASP 41 -8.076 8.537 0.713 327 HA ASP 41 HA ASP 41 -8.788 10.220 2.722 328 HB2 ASP 41 1HB ASP 41 -9.822 9.884 0.361 329 HB3 ASP 41 2HB ASP 41 -10.946 8.805 1.183 330 H GLU 42 H GLU 42 -10.000 6.899 2.311 331 HA GLU 42 HA GLU 42 -11.674 6.836 4.543 332 HB2 GLU 42 1HB GLU 42 -10.266 4.763 2.921 333 HB3 GLU 42 2HB GLU 42 -11.006 4.277 4.439 334 HG2 GLU 42 1HG GLU 42 -12.415 5.618 2.143 335 HG3 GLU 42 2HG GLU 42 -12.500 3.906 2.556 336 H LEU 43 H LEU 43 -8.249 5.953 4.242 337 HA LEU 43 HA LEU 43 -7.866 5.060 6.867 338 HB2 LEU 43 1HB LEU 43 -6.036 6.209 4.792 339 HB3 LEU 43 2HB LEU 43 -5.439 5.809 6.402 340 HG LEU 43 HG LEU 43 -6.885 3.716 4.846 341 HD11 LEU 43 1HD1 LEU 43 -4.749 5.073 3.711 342 HD12 LEU 43 2HD1 LEU 43 -5.347 3.477 3.260 343 HD13 LEU 43 3HD1 LEU 43 -4.026 3.628 4.418 344 HD21 LEU 43 3HD2 LEU 43 -4.403 3.316 6.440 345 HD22 LEU 43 1HD2 LEU 43 -5.795 2.254 6.227 346 HD23 LEU 43 2HD2 LEU 43 -5.910 3.655 7.292 347 H GLY 44 H GLY 44 -7.431 8.289 5.447 348 HA2 GLY 44 1HA GLY 44 -7.699 10.350 6.483 349 HA3 GLY 44 2HA GLY 44 -8.010 9.514 7.997 350 H ASN 45 H ASN 45 -5.626 7.970 8.073 351 HA ASN 45 HA ASN 45 -3.808 10.025 9.006 352 HB2 ASN 45 1HB ASN 45 -4.345 7.893 10.282 353 HB3 ASN 45 2HB ASN 45 -3.375 7.038 9.086 354 HD21 ASN 45 1HD2 ASN 45 -1.504 6.531 9.953 355 HD22 ASN 45 2HD2 ASN 45 -0.512 7.570 10.914 356 H ARG 46 H ARG 46 -3.922 7.533 6.516 357 HA ARG 46 HA ARG 46 -1.248 8.197 5.590 358 HB2 ARG 46 1HB ARG 46 -3.279 6.113 4.870 359 HB3 ARG 46 2HB ARG 46 -1.960 6.469 3.763 360 HG2 ARG 46 1HG ARG 46 -1.532 5.727 6.643 361 HG3 ARG 46 2HG ARG 46 -1.583 4.547 5.332 362 HD2 ARG 46 1HD ARG 46 0.364 5.375 4.351 363 HD3 ARG 46 2HD ARG 46 0.250 6.913 5.206 364 HE ARG 46 HE ARG 46 1.582 4.587 6.101 365 HH11 ARG 46 1HH1 ARG 46 -0.399 7.211 7.244 366 HH12 ARG 46 2HH1 ARG 46 0.252 7.175 8.849 367 HH21 ARG 46 1HH2 ARG 46 2.447 4.530 8.211 368 HH22 ARG 46 2HH2 ARG 46 1.871 5.651 9.398 369 H THR 47 H THR 47 -1.106 8.296 3.053 370 HA THR 47 HA THR 47 -3.219 10.030 1.986 371 HB THR 47 HB THR 47 -1.612 11.623 1.101 372 HG1 THR 47 1HG THR 47 0.612 11.427 1.786 373 HG21 THR 47 3HG2 THR 47 -2.515 11.739 3.524 374 HG22 THR 47 1HG2 THR 47 -1.178 12.795 3.069 375 HG23 THR 47 2HG2 THR 47 -0.866 11.324 3.991 376 H ALA 48 H ALA 48 -3.101 10.292 -0.368 377 HA ALA 48 HA ALA 48 -3.065 7.978 -1.786 378 HB1 ALA 48 3HB ALA 48 -3.737 9.355 -3.388 379 HB2 ALA 48 1HB ALA 48 -3.235 10.732 -2.405 380 HB3 ALA 48 2HB ALA 48 -2.103 10.001 -3.544 381 H LYS 49 H LYS 49 -0.307 10.046 -1.079 382 HA LYS 49 HA LYS 49 1.521 8.668 -2.782 383 HB2 LYS 49 1HB LYS 49 1.754 10.712 -0.613 384 HB3 LYS 49 2HB LYS 49 3.201 9.858 -1.132 385 HG2 LYS 49 1HG LYS 49 1.473 11.067 -3.220 386 HG3 LYS 49 2HG LYS 49 2.460 12.140 -2.225 387 HD2 LYS 49 1HD LYS 49 3.942 11.703 -3.910 388 HD3 LYS 49 2HD LYS 49 4.339 10.377 -2.815 389 HE2 LYS 49 1HE LYS 49 3.063 8.832 -4.090 390 HE3 LYS 49 2HE LYS 49 2.331 10.122 -5.043 391 HZ1 LYS 49 3HZ LYS 49 3.933 9.426 -6.476 392 HZ2 LYS 49 1HZ LYS 49 4.997 8.936 -5.255 393 HZ3 LYS 49 2HZ LYS 49 4.837 10.577 -5.628 394 H GLN 50 H GLN 50 1.481 8.864 0.782 395 HA GLN 50 HA GLN 50 3.241 6.905 1.408 396 HB2 GLN 50 1HB GLN 50 0.627 7.584 2.749 397 HB3 GLN 50 2HB GLN 50 1.782 6.453 3.442 398 HG2 GLN 50 1HG GLN 50 1.778 8.972 4.139 399 HG3 GLN 50 2HG GLN 50 3.290 8.083 3.956 400 HE21 GLN 50 1HE2 GLN 50 1.830 10.913 3.295 401 HE22 GLN 50 2HE2 GLN 50 2.729 11.404 1.905 402 H VAL 51 H VAL 51 -0.095 6.448 0.370 403 HA VAL 51 HA VAL 51 -0.134 3.629 0.809 404 HB VAL 51 HB VAL 51 -1.896 5.346 -0.945 405 HG11 VAL 51 1HG1 VAL 51 -2.961 2.817 0.065 406 HG12 VAL 51 2HG1 VAL 51 -3.078 3.538 -1.541 407 HG13 VAL 51 3HG1 VAL 51 -1.638 2.628 -1.085 408 HG21 VAL 51 3HG2 VAL 51 -2.448 6.105 1.126 409 HG22 VAL 51 1HG2 VAL 51 -3.463 4.664 1.099 410 HG23 VAL 51 2HG2 VAL 51 -1.909 4.632 1.932 411 H ALA 52 H ALA 52 0.537 5.698 -1.971 412 HA ALA 52 HA ALA 52 0.595 3.817 -3.999 413 HB1 ALA 52 3HB ALA 52 2.322 5.351 -5.051 414 HB2 ALA 52 1HB ALA 52 0.780 6.084 -4.605 415 HB3 ALA 52 2HB ALA 52 2.200 6.324 -3.585 416 H SER 53 H SER 53 3.191 4.737 -1.760 417 HA SER 53 HA SER 53 5.084 2.913 -2.890 418 HB2 SER 53 1HB SER 53 5.067 4.453 -0.287 419 HB3 SER 53 2HB SER 53 6.422 3.465 -0.833 420 HG SER 53 HG SER 53 6.459 5.799 -1.359 421 H GLN 54 H GLN 54 2.691 2.772 -0.364 422 HA GLN 54 HA GLN 54 3.683 0.426 0.911 423 HB2 GLN 54 1HB GLN 54 1.961 2.232 1.736 424 HB3 GLN 54 2HB GLN 54 0.786 1.172 0.970 425 HG2 GLN 54 1HG GLN 54 0.945 0.662 3.314 426 HG3 GLN 54 2HG GLN 54 1.573 -0.685 2.366 427 HE21 GLN 54 1HE2 GLN 54 2.319 -0.844 4.814 428 HE22 GLN 54 2HE2 GLN 54 3.937 -0.299 5.079 429 H VAL 55 H VAL 55 1.398 1.044 -1.693 430 HA VAL 55 HA VAL 55 0.418 -1.615 -1.890 431 HB VAL 55 HB VAL 55 0.453 0.614 -3.928 432 HG11 VAL 55 1HG1 VAL 55 -1.233 -1.878 -4.003 433 HG12 VAL 55 2HG1 VAL 55 -1.064 -0.642 -5.251 434 HG13 VAL 55 3HG1 VAL 55 0.287 -1.714 -4.882 435 HG21 VAL 55 3HG2 VAL 55 -0.839 0.913 -1.763 436 HG22 VAL 55 1HG2 VAL 55 -1.757 1.092 -3.258 437 HG23 VAL 55 2HG2 VAL 55 -1.880 -0.397 -2.321 438 H GLN 56 H GLN 56 2.835 0.196 -3.777 439 HA GLN 56 HA GLN 56 3.543 -1.794 -5.569 440 HB2 GLN 56 1HB GLN 56 5.489 -0.544 -6.025 441 HB3 GLN 56 2HB GLN 56 4.294 0.642 -5.519 442 HG2 GLN 56 1HG GLN 56 5.318 0.977 -3.457 443 HG3 GLN 56 2HG GLN 56 6.234 -0.526 -3.564 444 HE21 GLN 56 1HE2 GLN 56 7.848 -0.619 -5.341 445 HE22 GLN 56 2HE2 GLN 56 8.741 0.819 -5.688 446 H LYS 57 H LYS 57 4.520 -1.330 -2.235 447 HA LYS 57 HA LYS 57 6.452 -3.500 -2.375 448 HB2 LYS 57 1HB LYS 57 5.609 -1.617 -0.177 449 HB3 LYS 57 2HB LYS 57 6.690 -2.973 0.112 450 HG2 LYS 57 1HG LYS 57 8.283 -2.063 -1.489 451 HG3 LYS 57 2HG LYS 57 7.193 -0.713 -1.815 452 HD2 LYS 57 1HD LYS 57 7.330 -0.199 0.670 453 HD3 LYS 57 2HD LYS 57 8.673 -1.343 0.728 454 HE2 LYS 57 1HE LYS 57 9.636 0.802 0.469 455 HE3 LYS 57 2HE LYS 57 9.750 0.015 -1.104 456 HZ1 LYS 57 3HZ LYS 57 7.345 1.316 -1.155 457 HZ2 LYS 57 1HZ LYS 57 8.771 1.819 -1.914 458 HZ3 LYS 57 2HZ LYS 57 8.378 2.407 -0.377 459 H TYR 58 H TYR 58 3.371 -3.698 -2.569 460 HA TYR 58 HA TYR 58 3.071 -5.805 -0.529 461 HB2 TYR 58 1HB TYR 58 1.199 -3.702 -1.485 462 HB3 TYR 58 2HB TYR 58 0.513 -5.281 -1.118 463 HD1 TYR 58 1HD TYR 58 3.383 -3.742 0.636 464 HD2 TYR 58 2HD TYR 58 -0.760 -4.696 0.796 465 HE1 TYR 58 1HE TYR 58 3.349 -3.166 3.027 466 HE2 TYR 58 2HE TYR 58 -0.806 -4.121 3.187 467 HH TYR 58 HH TYR 58 0.551 -2.646 4.752 468 H PHE 59 H PHE 59 2.833 -4.930 -3.869 469 HA PHE 59 HA PHE 59 1.935 -7.662 -4.512 470 HB2 PHE 59 1HB PHE 59 1.553 -5.114 -6.097 471 HB3 PHE 59 2HB PHE 59 1.103 -6.721 -6.658 472 HD1 PHE 59 2HD PHE 59 0.611 -4.689 -3.561 473 HD2 PHE 59 1HD PHE 59 -1.133 -7.173 -6.546 474 HE1 PHE 59 2HE PHE 59 -1.584 -4.446 -2.476 475 HE2 PHE 59 1HE PHE 59 -3.331 -6.933 -5.466 476 HZ PHE 59 HZ PHE 59 -3.558 -5.569 -3.428 477 H ILE 60 H ILE 60 4.101 -5.024 -5.419 478 HA ILE 60 HA ILE 60 5.473 -6.594 -7.404 479 HB ILE 60 HB ILE 60 6.506 -4.044 -6.189 480 HG12 ILE 60 1HG1 ILE 60 4.549 -4.266 -8.484 481 HG13 ILE 60 2HG1 ILE 60 4.110 -3.782 -6.850 482 HG21 ILE 60 1HG2 ILE 60 8.136 -4.832 -7.600 483 HG22 ILE 60 2HG2 ILE 60 6.977 -5.594 -8.689 484 HG23 ILE 60 3HG2 ILE 60 7.188 -3.844 -8.712 485 HD11 ILE 60 3HD1 ILE 60 6.032 -2.007 -7.277 486 HD12 ILE 60 1HD1 ILE 60 5.556 -2.288 -8.951 487 HD13 ILE 60 2HD1 ILE 60 4.363 -1.735 -7.776 488 H LYS 61 H LYS 61 5.745 -6.058 -4.014 489 HA LYS 61 HA LYS 61 8.509 -6.837 -3.810 490 HB2 LYS 61 1HB LYS 61 7.368 -5.306 -2.188 491 HB3 LYS 61 2HB LYS 61 6.431 -6.682 -1.620 492 HG2 LYS 61 1HG LYS 61 8.458 -7.795 -0.890 493 HG3 LYS 61 2HG LYS 61 9.434 -6.467 -1.522 494 HD2 LYS 61 1HD LYS 61 8.505 -4.940 0.073 495 HD3 LYS 61 2HD LYS 61 7.320 -6.136 0.603 496 HE2 LYS 61 1HE LYS 61 9.117 -5.994 2.214 497 HE3 LYS 61 2HE LYS 61 9.161 -7.562 1.410 498 HZ1 LYS 61 3HZ LYS 61 11.247 -7.152 0.849 499 HZ2 LYS 61 1HZ LYS 61 11.182 -5.618 1.561 500 HZ3 LYS 61 2HZ LYS 61 10.754 -5.815 -0.063 501 H LEU 62 H LEU 62 5.422 -8.330 -2.826 502 HA LEU 62 HA LEU 62 6.148 -10.693 -1.806 503 HB2 LEU 62 1HB LEU 62 4.119 -11.601 -2.494 504 HB3 LEU 62 2HB LEU 62 3.822 -9.865 -2.445 505 HG LEU 62 HG LEU 62 4.274 -9.903 -4.966 506 HD11 LEU 62 1HD1 LEU 62 4.792 -11.821 -5.945 507 HD12 LEU 62 2HD1 LEU 62 3.312 -12.560 -5.333 508 HD13 LEU 62 3HD1 LEU 62 4.789 -12.614 -4.370 509 HD21 LEU 62 3HD2 LEU 62 1.980 -10.433 -5.446 510 HD22 LEU 62 1HD2 LEU 62 2.059 -9.611 -3.888 511 HD23 LEU 62 2HD2 LEU 62 1.836 -11.359 -3.952 512 H THR 63 H THR 63 6.493 -9.772 -5.167 513 HA THR 63 HA THR 63 6.898 -12.074 -6.515 514 HB THR 63 HB THR 63 7.257 -9.688 -7.355 515 HG1 THR 63 1HG THR 63 8.496 -12.030 -8.126 516 HG21 THR 63 3HG2 THR 63 8.961 -8.922 -5.862 517 HG22 THR 63 1HG2 THR 63 9.677 -9.028 -7.470 518 HG23 THR 63 2HG2 THR 63 10.010 -10.279 -6.272 519 H LYS 64 H LYS 64 8.619 -13.498 -6.925 520 HA LYS 64 HA LYS 64 9.966 -14.557 -4.804 521 HB2 LYS 64 1HB LYS 64 10.575 -14.565 -7.744 522 HB3 LYS 64 2HB LYS 64 11.649 -15.375 -6.611 523 HG2 LYS 64 1HG LYS 64 8.739 -15.978 -6.492 524 HG3 LYS 64 2HG LYS 64 9.701 -16.664 -7.804 525 HD2 LYS 64 1HD LYS 64 10.505 -16.900 -4.915 526 HD3 LYS 64 2HD LYS 64 9.456 -18.078 -5.706 527 HE2 LYS 64 1HE LYS 64 12.206 -17.312 -6.676 528 HE3 LYS 64 2HE LYS 64 11.858 -18.723 -5.678 529 HZ1 LYS 64 3HZ LYS 64 10.120 -19.071 -7.664 530 HZ2 LYS 64 1HZ LYS 64 11.682 -19.720 -7.669 531 HZ3 LYS 64 2HZ LYS 64 11.361 -18.284 -8.502 532 H ALA 65 H ALA 65 12.064 -14.434 -3.966 533 HA ALA 65 HA ALA 65 13.213 -11.791 -4.029 534 HB1 ALA 65 3HB ALA 65 13.465 -14.189 -2.352 535 HB2 ALA 65 1HB ALA 65 14.940 -13.236 -2.522 536 HB3 ALA 65 2HB ALA 65 13.468 -12.483 -1.906 537 H GLY 66 H GLY 66 13.377 -12.972 -6.547 538 HA2 GLY 66 1HA GLY 66 16.288 -13.432 -6.781 539 HA3 GLY 66 2HA GLY 66 15.116 -14.272 -7.785 540 H ILE 67 H ILE 67 15.240 -10.851 -6.855 541 HA ILE 67 HA ILE 67 15.887 -10.130 -9.615 542 HB ILE 67 HB ILE 67 13.508 -8.976 -8.153 543 HG12 ILE 67 1HG1 ILE 67 13.518 -10.681 -10.648 544 HG13 ILE 67 2HG1 ILE 67 13.237 -11.329 -9.036 545 HG21 ILE 67 1HG2 ILE 67 14.803 -7.442 -9.665 546 HG22 ILE 67 2HG2 ILE 67 14.365 -8.508 -10.999 547 HG23 ILE 67 3HG2 ILE 67 13.107 -7.667 -10.094 548 HD11 ILE 67 3HD1 ILE 67 11.494 -9.139 -9.366 549 HD12 ILE 67 1HD1 ILE 67 11.391 -10.123 -10.825 550 HD13 ILE 67 2HD1 ILE 67 11.094 -10.852 -9.247 551 HA PRO 68 HA PRO 68 18.443 -7.204 -7.517 552 HB2 PRO 68 1HB PRO 68 19.048 -5.641 -9.653 553 HB3 PRO 68 2HB PRO 68 19.755 -7.241 -9.403 554 HG2 PRO 68 1HG PRO 68 17.474 -6.432 -11.165 555 HG3 PRO 68 2HG PRO 68 18.818 -7.537 -11.510 556 HD2 PRO 68 1HD PRO 68 16.349 -8.414 -10.825 557 HD3 PRO 68 2HD PRO 68 17.830 -9.290 -10.387 558 H VAL 69 H VAL 69 18.561 -4.906 -7.047 559 HA VAL 69 HA VAL 69 16.269 -3.281 -7.818 560 HB VAL 69 HB VAL 69 16.900 -3.884 -4.925 561 HG11 VAL 69 1HG1 VAL 69 15.285 -1.775 -6.249 562 HG12 VAL 69 2HG1 VAL 69 14.646 -2.496 -4.771 563 HG13 VAL 69 3HG1 VAL 69 16.227 -1.713 -4.760 564 HG21 VAL 69 3HG2 VAL 69 14.399 -4.585 -5.054 565 HG22 VAL 69 1HG2 VAL 69 14.718 -4.736 -6.782 566 HG23 VAL 69 2HG2 VAL 69 15.644 -5.695 -5.627 567 H SER 70 H SER 70 16.626 -1.081 -7.674 568 HA SER 70 HA SER 70 19.174 -0.171 -6.551 569 HB2 SER 70 1HB SER 70 19.534 1.226 -8.627 570 HB3 SER 70 2HB SER 70 19.746 -0.510 -8.853 571 HG SER 70 HG SER 70 18.354 0.839 -10.389 572 H GLY 71 H GLY 71 19.290 2.272 -6.543 573 HA2 GLY 71 1HA GLY 71 16.630 3.514 -6.391 574 HA3 GLY 71 2HA GLY 71 17.679 3.574 -4.982 575 HA PRO 72 HA PRO 72 19.549 6.325 -8.544 576 HB2 PRO 72 1HB PRO 72 17.679 7.302 -10.252 577 HB3 PRO 72 2HB PRO 72 18.567 5.804 -10.555 578 HG2 PRO 72 1HG PRO 72 15.809 6.181 -9.454 579 HG3 PRO 72 2HG PRO 72 16.385 5.008 -10.653 580 HD2 PRO 72 1HD PRO 72 15.987 4.359 -8.054 581 HD3 PRO 72 2HD PRO 72 17.249 3.600 -9.046 582 H SER 73 H SER 73 16.667 6.698 -6.737 583 HA SER 73 HA SER 73 16.012 9.342 -6.870 584 HB2 SER 73 1HB SER 73 16.154 7.505 -4.481 585 HB3 SER 73 2HB SER 73 15.514 9.144 -4.367 586 HG SER 73 HG SER 73 13.800 8.577 -5.511 587 H SER 74 H SER 74 16.954 11.231 -6.434 588 HA SER 74 HA SER 74 18.873 11.648 -4.400 589 HB2 SER 74 1HB SER 74 20.890 11.905 -5.615 590 HB3 SER 74 2HB SER 74 20.213 10.377 -6.175 591 HG SER 74 HG SER 74 20.662 11.377 -8.027 592 H GLY 75 H GLY 75 19.362 13.834 -4.108 593 HA2 GLY 75 1HA GLY 75 19.322 16.123 -4.612 594 HA3 GLY 75 2HA GLY 75 18.445 15.759 -6.090 Start of MODEL 16 1 H1 GLY 1 H GLY 1 18.661 0.434 -7.164 2 HA2 GLY 1 1HA GLY 1 17.474 -0.761 -9.470 3 HA3 GLY 1 2HA GLY 1 17.833 -1.964 -8.240 4 H SER 2 H SER 2 17.264 -0.655 -5.920 5 HA SER 2 HA SER 2 14.381 -0.119 -6.203 6 HB2 SER 2 1HB SER 2 15.925 -1.390 -3.936 7 HB3 SER 2 2HB SER 2 14.234 -0.907 -3.811 8 HG SER 2 HG SER 2 14.314 -3.061 -4.397 9 H SER 3 H SER 3 13.513 1.679 -5.304 10 HA SER 3 HA SER 3 15.271 3.400 -3.692 11 HB2 SER 3 1HB SER 3 13.647 4.178 -6.113 12 HB3 SER 3 2HB SER 3 14.196 5.363 -4.928 13 HG SER 3 HG SER 3 15.961 3.555 -6.201 14 H GLY 4 H GLY 4 13.972 5.216 -2.643 15 HA2 GLY 4 1HA GLY 4 12.141 5.963 -1.436 16 HA3 GLY 4 2HA GLY 4 11.169 4.716 -2.203 17 H SER 5 H SER 5 13.723 5.142 0.232 18 HA SER 5 HA SER 5 12.455 2.980 1.782 19 HB2 SER 5 1HB SER 5 14.719 2.413 0.757 20 HB3 SER 5 2HB SER 5 15.408 3.607 1.856 21 HG SER 5 HG SER 5 13.725 1.633 2.905 22 H SER 6 H SER 6 14.423 5.924 1.938 23 HA SER 6 HA SER 6 14.638 6.405 4.588 24 HB2 SER 6 1HB SER 6 15.385 7.932 2.736 25 HB3 SER 6 2HB SER 6 13.727 8.522 2.627 26 HG SER 6 HG SER 6 14.860 9.887 3.975 27 H GLY 7 H GLY 7 13.387 7.125 6.271 28 HA2 GLY 7 1HA GLY 7 11.232 8.325 6.818 29 HA3 GLY 7 2HA GLY 7 10.477 7.137 5.765 30 H ASN 8 H ASN 8 11.706 7.794 8.909 31 HA ASN 8 HA ASN 8 11.620 5.051 9.803 32 HB2 ASN 8 1HB ASN 8 11.841 6.287 12.104 33 HB3 ASN 8 2HB ASN 8 13.211 6.240 10.998 34 HD21 ASN 8 1HD2 ASN 8 14.087 8.100 11.908 35 HD22 ASN 8 2HD2 ASN 8 13.425 9.666 11.604 36 H GLN 9 H GLN 9 9.202 5.690 8.674 37 HA GLN 9 HA GLN 9 7.431 5.700 11.024 38 HB2 GLN 9 1HB GLN 9 5.740 6.904 9.699 39 HB3 GLN 9 2HB GLN 9 7.208 7.850 9.908 40 HG2 GLN 9 1HG GLN 9 7.877 6.887 7.609 41 HG3 GLN 9 2HG GLN 9 6.162 6.511 7.452 42 HE21 GLN 9 1HE2 GLN 9 6.592 8.029 5.586 43 HE22 GLN 9 2HE2 GLN 9 6.320 9.710 5.880 44 H LEU 10 H LEU 10 7.098 3.521 11.107 45 HA LEU 10 HA LEU 10 6.450 2.019 8.725 46 HB2 LEU 10 1HB LEU 10 6.144 0.140 10.355 47 HB3 LEU 10 2HB LEU 10 7.748 0.870 10.330 48 HG LEU 10 HG LEU 10 6.550 0.245 12.591 49 HD11 LEU 10 1HD1 LEU 10 8.563 2.109 11.794 50 HD12 LEU 10 2HD1 LEU 10 8.444 1.165 13.278 51 HD13 LEU 10 3HD1 LEU 10 7.684 2.753 13.181 52 HD21 LEU 10 3HD2 LEU 10 5.372 2.119 13.575 53 HD22 LEU 10 1HD2 LEU 10 4.543 1.586 12.112 54 HD23 LEU 10 2HD2 LEU 10 5.539 3.042 12.081 55 H TRP 11 H TRP 11 4.499 0.510 8.851 56 HA TRP 11 HA TRP 11 2.159 2.165 9.363 57 HB2 TRP 11 1HB TRP 11 2.679 -0.331 7.785 58 HB3 TRP 11 2HB TRP 11 1.029 0.079 8.248 59 HD1 TRP 11 HD TRP 11 3.954 2.109 6.667 60 HE1 TRP 11 1HE TRP 11 2.992 3.462 4.701 61 HE3 TRP 11 3HE TRP 11 -0.925 0.610 6.960 62 HZ2 TRP 11 2HZ TRP 11 0.495 3.845 3.441 63 HZ3 TRP 11 3HZ TRP 11 -2.536 1.517 5.337 64 HH2 TRP 11 HH TRP 11 -1.839 3.101 3.615 65 H THR 12 H THR 12 0.557 1.701 10.803 66 HA THR 12 HA THR 12 1.232 -0.125 12.941 67 HB THR 12 HB THR 12 0.308 2.083 13.482 68 HG1 THR 12 1HG THR 12 -0.337 0.960 15.155 69 HG21 THR 12 3HG2 THR 12 -1.411 1.641 11.382 70 HG22 THR 12 1HG2 THR 12 -1.558 2.934 12.571 71 HG23 THR 12 2HG2 THR 12 -2.453 1.430 12.789 72 H VAL 13 H VAL 13 0.168 -1.977 13.505 73 HA VAL 13 HA VAL 13 -0.793 -3.753 11.771 74 HB VAL 13 HB VAL 13 -1.938 -3.317 14.533 75 HG11 VAL 13 1HG1 VAL 13 -2.861 -5.028 12.525 76 HG12 VAL 13 2HG1 VAL 13 -1.931 -6.048 13.625 77 HG13 VAL 13 3HG1 VAL 13 -3.267 -5.073 14.241 78 HG21 VAL 13 3HG2 VAL 13 -0.326 -5.005 15.231 79 HG22 VAL 13 1HG2 VAL 13 0.276 -5.131 13.577 80 HG23 VAL 13 2HG2 VAL 13 0.494 -3.634 14.484 81 H GLU 14 H GLU 14 -2.865 -1.358 13.395 82 HA GLU 14 HA GLU 14 -5.298 -2.084 12.281 83 HB2 GLU 14 1HB GLU 14 -4.262 0.632 13.094 84 HB3 GLU 14 2HB GLU 14 -5.932 0.335 12.630 85 HG2 GLU 14 1HG GLU 14 -4.640 -1.243 14.818 86 HG3 GLU 14 2HG GLU 14 -5.322 0.353 15.123 87 H GLU 15 H GLU 15 -2.989 0.350 11.078 88 HA GLU 15 HA GLU 15 -4.427 0.950 8.726 89 HB2 GLU 15 1HB GLU 15 -1.496 1.265 9.388 90 HB3 GLU 15 2HB GLU 15 -2.250 1.913 7.938 91 HG2 GLU 15 1HG GLU 15 -3.560 3.429 9.169 92 HG3 GLU 15 2HG GLU 15 -3.213 2.611 10.691 93 H GLN 16 H GLN 16 -1.606 -1.153 9.268 94 HA GLN 16 HA GLN 16 -1.064 -2.039 6.764 95 HB2 GLN 16 1HB GLN 16 -1.160 -3.621 9.331 96 HB3 GLN 16 2HB GLN 16 -0.505 -4.268 7.832 97 HG2 GLN 16 1HG GLN 16 0.998 -2.173 7.852 98 HG3 GLN 16 2HG GLN 16 0.548 -2.065 9.553 99 HE21 GLN 16 1HE2 GLN 16 0.805 -4.175 10.770 100 HE22 GLN 16 2HE2 GLN 16 2.250 -5.070 10.460 101 H LYS 17 H LYS 17 -3.196 -3.941 8.895 102 HA LYS 17 HA LYS 17 -4.283 -5.528 6.878 103 HB2 LYS 17 1HB LYS 17 -5.971 -6.168 8.476 104 HB3 LYS 17 2HB LYS 17 -4.433 -6.001 9.314 105 HG2 LYS 17 1HG LYS 17 -5.106 -3.823 10.155 106 HG3 LYS 17 2HG LYS 17 -6.634 -3.944 9.280 107 HD2 LYS 17 1HD LYS 17 -7.500 -5.484 10.732 108 HD3 LYS 17 2HD LYS 17 -5.916 -6.148 11.141 109 HE2 LYS 17 1HE LYS 17 -6.795 -4.990 13.056 110 HE3 LYS 17 2HE LYS 17 -5.431 -4.077 12.413 111 HZ1 LYS 17 3HZ LYS 17 -7.370 -2.692 13.019 112 HZ2 LYS 17 1HZ LYS 17 -8.272 -3.463 11.812 113 HZ3 LYS 17 2HZ LYS 17 -6.920 -2.535 11.396 114 H LYS 18 H LYS 18 -5.500 -2.511 8.294 115 HA LYS 18 HA LYS 18 -7.943 -2.280 7.096 116 HB2 LYS 18 1HB LYS 18 -7.087 -0.626 8.667 117 HB3 LYS 18 2HB LYS 18 -5.889 -0.097 7.493 118 HG2 LYS 18 1HG LYS 18 -7.405 1.071 6.260 119 HG3 LYS 18 2HG LYS 18 -8.747 0.012 6.703 120 HD2 LYS 18 1HD LYS 18 -8.442 0.992 9.071 121 HD3 LYS 18 2HD LYS 18 -7.521 2.262 8.262 122 HE2 LYS 18 1HE LYS 18 -9.638 3.169 8.281 123 HE3 LYS 18 2HE LYS 18 -9.605 2.389 6.701 124 HZ1 LYS 18 3HZ LYS 18 -11.568 1.597 7.478 125 HZ2 LYS 18 1HZ LYS 18 -11.101 1.661 9.103 126 HZ3 LYS 18 2HZ LYS 18 -10.557 0.400 8.116 127 H LEU 19 H LEU 19 -4.958 -0.894 5.711 128 HA LEU 19 HA LEU 19 -5.896 -0.094 3.279 129 HB2 LEU 19 1HB LEU 19 -3.696 0.457 3.648 130 HB3 LEU 19 2HB LEU 19 -3.271 -1.165 4.190 131 HG LEU 19 HG LEU 19 -3.449 -1.918 1.810 132 HD11 LEU 19 1HD1 LEU 19 -4.898 -0.042 1.069 133 HD12 LEU 19 2HD1 LEU 19 -3.485 -0.295 0.046 134 HD13 LEU 19 3HD1 LEU 19 -3.507 1.034 1.205 135 HD21 LEU 19 3HD2 LEU 19 -1.451 0.240 2.478 136 HD22 LEU 19 1HD2 LEU 19 -1.306 -0.882 1.125 137 HD23 LEU 19 2HD2 LEU 19 -1.287 -1.490 2.781 138 H GLU 20 H GLU 20 -4.500 -3.311 3.942 139 HA GLU 20 HA GLU 20 -4.738 -4.565 1.576 140 HB2 GLU 20 1HB GLU 20 -5.550 -5.675 4.267 141 HB3 GLU 20 2HB GLU 20 -5.299 -6.655 2.829 142 HG2 GLU 20 1HG GLU 20 -2.957 -5.684 2.757 143 HG3 GLU 20 2HG GLU 20 -3.273 -5.082 4.383 144 H GLN 21 H GLN 21 -7.419 -3.999 3.827 145 HA GLN 21 HA GLN 21 -9.378 -5.295 2.231 146 HB2 GLN 21 1HB GLN 21 -9.658 -3.237 4.426 147 HB3 GLN 21 2HB GLN 21 -11.005 -4.107 3.704 148 HG2 GLN 21 1HG GLN 21 -8.713 -5.572 4.950 149 HG3 GLN 21 2HG GLN 21 -10.041 -4.948 5.927 150 HE21 GLN 21 1HE2 GLN 21 -9.677 -7.557 6.038 151 HE22 GLN 21 2HE2 GLN 21 -10.873 -8.413 5.132 152 H LEU 22 H LEU 22 -8.625 -1.855 2.765 153 HA LEU 22 HA LEU 22 -10.511 -0.718 1.109 154 HB2 LEU 22 1HB LEU 22 -7.676 0.139 1.651 155 HB3 LEU 22 2HB LEU 22 -8.856 1.139 0.808 156 HG LEU 22 HG LEU 22 -9.255 0.139 3.621 157 HD11 LEU 22 1HD1 LEU 22 -8.313 2.062 4.489 158 HD12 LEU 22 2HD1 LEU 22 -8.404 2.926 2.955 159 HD13 LEU 22 3HD1 LEU 22 -7.201 1.656 3.181 160 HD21 LEU 22 3HD2 LEU 22 -11.267 1.051 3.426 161 HD22 LEU 22 1HD2 LEU 22 -10.925 1.441 1.740 162 HD23 LEU 22 2HD2 LEU 22 -10.540 2.603 3.010 163 H LEU 23 H LEU 23 -7.295 -1.938 0.243 164 HA LEU 23 HA LEU 23 -7.136 -1.172 -2.387 165 HB2 LEU 23 1HB LEU 23 -6.204 -3.632 -0.958 166 HB3 LEU 23 2HB LEU 23 -5.926 -3.438 -2.687 167 HG LEU 23 HG LEU 23 -5.013 -1.352 -0.735 168 HD11 LEU 23 1HD1 LEU 23 -3.212 -3.555 -1.648 169 HD12 LEU 23 2HD1 LEU 23 -4.199 -3.753 -0.201 170 HD13 LEU 23 3HD1 LEU 23 -3.024 -2.442 -0.293 171 HD21 LEU 23 3HD2 LEU 23 -3.480 -0.770 -2.465 172 HD22 LEU 23 1HD2 LEU 23 -5.077 -0.921 -3.200 173 HD23 LEU 23 2HD2 LEU 23 -3.891 -2.212 -3.395 174 H ILE 24 H ILE 24 -8.756 -4.051 -1.085 175 HA ILE 24 HA ILE 24 -9.600 -5.088 -3.566 176 HB ILE 24 HB ILE 24 -10.846 -5.449 -0.839 177 HG12 ILE 24 1HG1 ILE 24 -9.121 -7.461 -2.238 178 HG13 ILE 24 2HG1 ILE 24 -8.369 -6.136 -1.357 179 HG21 ILE 24 1HG2 ILE 24 -12.445 -6.049 -2.518 180 HG22 ILE 24 2HG2 ILE 24 -11.233 -6.965 -3.412 181 HG23 ILE 24 3HG2 ILE 24 -11.780 -7.532 -1.834 182 HD11 ILE 24 3HD1 ILE 24 -9.236 -6.864 0.690 183 HD12 ILE 24 1HD1 ILE 24 -10.404 -7.932 -0.087 184 HD13 ILE 24 2HD1 ILE 24 -8.685 -8.328 -0.124 185 H LYS 25 H LYS 25 -11.257 -3.030 -1.191 186 HA LYS 25 HA LYS 25 -13.714 -2.837 -2.515 187 HB2 LYS 25 1HB LYS 25 -13.390 -2.116 -0.198 188 HB3 LYS 25 2HB LYS 25 -12.348 -0.807 -0.738 189 HG2 LYS 25 1HG LYS 25 -14.349 0.023 -2.071 190 HG3 LYS 25 2HG LYS 25 -15.307 -1.113 -1.120 191 HD2 LYS 25 1HD LYS 25 -14.069 0.055 0.894 192 HD3 LYS 25 2HD LYS 25 -13.901 1.372 -0.269 193 HE2 LYS 25 1HE LYS 25 -15.901 1.902 0.745 194 HE3 LYS 25 2HE LYS 25 -16.448 0.983 -0.657 195 HZ1 LYS 25 3HZ LYS 25 -17.193 0.486 1.871 196 HZ2 LYS 25 1HZ LYS 25 -15.917 -0.610 1.693 197 HZ3 LYS 25 2HZ LYS 25 -17.228 -0.658 0.626 198 H TYR 26 H TYR 26 -10.762 -0.922 -2.829 199 HA TYR 26 HA TYR 26 -11.997 0.571 -5.038 200 HB2 TYR 26 1HB TYR 26 -9.643 1.145 -3.252 201 HB3 TYR 26 2HB TYR 26 -9.879 2.011 -4.767 202 HD1 TYR 26 1HD TYR 26 -12.142 3.211 -5.083 203 HD2 TYR 26 2HD TYR 26 -10.696 1.883 -1.308 204 HE1 TYR 26 1HE TYR 26 -13.665 4.778 -3.955 205 HE2 TYR 26 2HE TYR 26 -12.216 3.445 -0.170 206 HH TYR 26 HH TYR 26 -13.619 5.177 -0.442 207 HA PRO 27 HA PRO 27 -9.436 -2.405 -7.363 208 HB2 PRO 27 1HB PRO 27 -10.959 -2.268 -9.607 209 HB3 PRO 27 2HB PRO 27 -11.362 -3.306 -8.234 210 HG2 PRO 27 1HG PRO 27 -12.452 -0.613 -8.956 211 HG3 PRO 27 2HG PRO 27 -13.314 -2.051 -8.380 212 HD2 PRO 27 1HD PRO 27 -12.684 0.019 -6.753 213 HD3 PRO 27 2HD PRO 27 -12.755 -1.659 -6.179 214 HA PRO 28 HA PRO 28 -7.035 0.357 -9.801 215 HB2 PRO 28 1HB PRO 28 -6.370 -1.165 -11.948 216 HB3 PRO 28 2HB PRO 28 -5.689 -1.426 -10.338 217 HG2 PRO 28 1HG PRO 28 -7.926 -2.871 -11.705 218 HG3 PRO 28 2HG PRO 28 -6.592 -3.531 -10.742 219 HD2 PRO 28 1HD PRO 28 -9.084 -3.192 -9.739 220 HD3 PRO 28 2HD PRO 28 -7.623 -3.035 -8.742 221 H GLU 29 H GLU 29 -7.195 1.859 -11.421 222 HA GLU 29 HA GLU 29 -9.267 1.483 -13.462 223 HB2 GLU 29 1HB GLU 29 -9.926 3.902 -13.102 224 HB3 GLU 29 2HB GLU 29 -10.425 2.775 -11.849 225 HG2 GLU 29 1HG GLU 29 -8.654 3.506 -10.406 226 HG3 GLU 29 2HG GLU 29 -7.982 4.522 -11.680 227 H GLU 30 H GLU 30 -9.147 3.718 -14.869 228 HA GLU 30 HA GLU 30 -6.846 3.515 -16.395 229 HB2 GLU 30 1HB GLU 30 -7.507 5.762 -17.319 230 HB3 GLU 30 2HB GLU 30 -8.771 4.541 -17.348 231 HG2 GLU 30 1HG GLU 30 -9.877 5.525 -15.488 232 HG3 GLU 30 2HG GLU 30 -8.525 6.615 -15.187 233 H VAL 31 H VAL 31 -7.585 5.765 -13.765 234 HA VAL 31 HA VAL 31 -4.797 6.708 -13.853 235 HB VAL 31 HB VAL 31 -7.150 8.013 -12.480 236 HG11 VAL 31 1HG1 VAL 31 -5.695 9.401 -11.533 237 HG12 VAL 31 2HG1 VAL 31 -4.398 8.353 -12.111 238 HG13 VAL 31 3HG1 VAL 31 -4.922 9.729 -13.084 239 HG21 VAL 31 3HG2 VAL 31 -7.706 8.417 -14.653 240 HG22 VAL 31 1HG2 VAL 31 -6.562 9.737 -14.411 241 HG23 VAL 31 2HG2 VAL 31 -6.045 8.260 -15.224 242 H GLU 32 H GLU 32 -3.584 5.523 -12.515 243 HA GLU 32 HA GLU 32 -4.538 4.145 -10.250 244 HB2 GLU 32 1HB GLU 32 -2.178 3.760 -9.718 245 HB3 GLU 32 2HB GLU 32 -2.500 3.478 -11.423 246 HG2 GLU 32 1HG GLU 32 -1.704 5.894 -11.763 247 HG3 GLU 32 2HG GLU 32 -1.032 5.746 -10.140 248 H SER 33 H SER 33 -3.141 7.335 -10.676 249 HA SER 33 HA SER 33 -2.486 8.004 -8.081 250 HB2 SER 33 1HB SER 33 -3.649 9.711 -10.288 251 HB3 SER 33 2HB SER 33 -3.054 10.375 -8.767 252 HG SER 33 HG SER 33 -1.667 9.617 -10.943 253 H ARG 34 H ARG 34 -5.611 8.651 -9.678 254 HA ARG 34 HA ARG 34 -6.979 9.654 -7.499 255 HB2 ARG 34 1HB ARG 34 -7.980 8.008 -9.823 256 HB3 ARG 34 2HB ARG 34 -9.046 8.780 -8.658 257 HG2 ARG 34 1HG ARG 34 -8.389 10.940 -9.334 258 HG3 ARG 34 2HG ARG 34 -7.011 10.315 -10.243 259 HD2 ARG 34 1HD ARG 34 -8.304 9.637 -12.003 260 HD3 ARG 34 2HD ARG 34 -9.726 9.370 -10.994 261 HE ARG 34 HE ARG 34 -8.933 11.837 -12.278 262 HH11 ARG 34 1HH1 ARG 34 -10.899 10.330 -9.832 263 HH12 ARG 34 2HH1 ARG 34 -12.037 11.635 -9.757 264 HH21 ARG 34 1HH2 ARG 34 -10.423 13.561 -12.189 265 HH22 ARG 34 2HH2 ARG 34 -11.765 13.472 -11.099 266 H ARG 35 H ARG 35 -6.842 6.264 -8.587 267 HA ARG 35 HA ARG 35 -8.443 5.006 -6.815 268 HB2 ARG 35 1HB ARG 35 -7.285 3.703 -8.433 269 HB3 ARG 35 2HB ARG 35 -5.716 4.184 -7.800 270 HG2 ARG 35 1HG ARG 35 -6.308 2.966 -5.687 271 HG3 ARG 35 2HG ARG 35 -7.719 2.334 -6.537 272 HD2 ARG 35 1HD ARG 35 -6.300 1.281 -8.186 273 HD3 ARG 35 2HD ARG 35 -4.866 2.001 -7.455 274 HE ARG 35 HE ARG 35 -5.883 0.597 -5.412 275 HH11 ARG 35 1HH1 ARG 35 -5.267 -0.251 -8.732 276 HH12 ARG 35 2HH1 ARG 35 -4.963 -1.921 -8.386 277 HH21 ARG 35 1HH2 ARG 35 -5.485 -1.599 -4.943 278 HH22 ARG 35 2HH2 ARG 35 -5.088 -2.687 -6.230 279 H TRP 36 H TRP 36 -5.016 5.748 -6.160 280 HA TRP 36 HA TRP 36 -4.941 4.866 -3.527 281 HB2 TRP 36 1HB TRP 36 -3.408 7.277 -4.484 282 HB3 TRP 36 2HB TRP 36 -2.917 6.068 -3.300 283 HD1 TRP 36 HD TRP 36 -1.745 7.029 -6.420 284 HE1 TRP 36 1HE TRP 36 -0.896 5.080 -7.872 285 HE3 TRP 36 3HE TRP 36 -3.991 3.149 -3.963 286 HZ2 TRP 36 2HZ TRP 36 -1.147 2.270 -7.964 287 HZ3 TRP 36 3HZ TRP 36 -3.636 0.861 -4.797 288 HH2 TRP 36 HH TRP 36 -2.243 0.433 -6.757 289 H GLN 37 H GLN 37 -5.613 8.144 -4.743 290 HA GLN 37 HA GLN 37 -5.930 9.509 -2.396 291 HB2 GLN 37 1HB GLN 37 -6.098 10.612 -4.546 292 HB3 GLN 37 2HB GLN 37 -7.583 9.745 -4.915 293 HG2 GLN 37 1HG GLN 37 -8.368 11.807 -4.279 294 HG3 GLN 37 2HG GLN 37 -8.491 10.887 -2.780 295 HE21 GLN 37 1HE2 GLN 37 -7.000 11.279 -1.119 296 HE22 GLN 37 2HE2 GLN 37 -6.087 12.743 -1.051 297 H LYS 38 H LYS 38 -8.345 7.484 -4.020 298 HA LYS 38 HA LYS 38 -10.478 7.965 -2.270 299 HB2 LYS 38 1HB LYS 38 -9.859 5.454 -3.839 300 HB3 LYS 38 2HB LYS 38 -11.417 5.855 -3.127 301 HG2 LYS 38 1HG LYS 38 -11.779 7.611 -4.640 302 HG3 LYS 38 2HG LYS 38 -10.089 7.632 -5.148 303 HD2 LYS 38 1HD LYS 38 -10.431 5.328 -6.070 304 HD3 LYS 38 2HD LYS 38 -12.152 5.509 -5.724 305 HE2 LYS 38 1HE LYS 38 -10.546 7.356 -7.486 306 HE3 LYS 38 2HE LYS 38 -11.551 6.032 -8.074 307 HZ1 LYS 38 3HZ LYS 38 -13.216 7.435 -6.446 308 HZ2 LYS 38 1HZ LYS 38 -13.176 7.530 -8.135 309 HZ3 LYS 38 2HZ LYS 38 -12.317 8.651 -7.204 310 H ILE 39 H ILE 39 -8.035 5.380 -2.241 311 HA ILE 39 HA ILE 39 -8.967 4.051 0.045 312 HB ILE 39 HB ILE 39 -6.231 4.212 -1.198 313 HG12 ILE 39 1HG1 ILE 39 -7.990 1.790 -0.944 314 HG13 ILE 39 2HG1 ILE 39 -8.271 2.967 -2.222 315 HG21 ILE 39 1HG2 ILE 39 -7.095 2.841 1.317 316 HG22 ILE 39 2HG2 ILE 39 -5.809 2.161 0.321 317 HG23 ILE 39 3HG2 ILE 39 -5.636 3.780 1.000 318 HD11 ILE 39 3HD1 ILE 39 -6.919 1.080 -2.977 319 HD12 ILE 39 1HD1 ILE 39 -6.037 2.604 -3.078 320 HD13 ILE 39 2HD1 ILE 39 -5.700 1.474 -1.765 321 H ALA 40 H ALA 40 -6.420 6.518 -0.284 322 HA ALA 40 HA ALA 40 -5.607 6.708 2.340 323 HB1 ALA 40 3HB ALA 40 -4.911 8.990 1.831 324 HB2 ALA 40 1HB ALA 40 -4.525 7.898 0.501 325 HB3 ALA 40 2HB ALA 40 -5.913 8.980 0.380 326 H ASP 41 H ASP 41 -8.104 8.745 0.803 327 HA ASP 41 HA ASP 41 -8.993 10.275 2.802 328 HB2 ASP 41 1HB ASP 41 -10.018 9.860 0.455 329 HB3 ASP 41 2HB ASP 41 -11.040 8.687 1.279 330 H GLU 42 H GLU 42 -10.023 6.888 2.395 331 HA GLU 42 HA GLU 42 -11.627 6.721 4.669 332 HB2 GLU 42 1HB GLU 42 -10.148 4.730 3.005 333 HB3 GLU 42 2HB GLU 42 -10.845 4.202 4.530 334 HG2 GLU 42 1HG GLU 42 -12.425 5.604 2.394 335 HG3 GLU 42 2HG GLU 42 -12.272 3.852 2.500 336 H LEU 43 H LEU 43 -8.219 5.744 4.292 337 HA LEU 43 HA LEU 43 -7.738 4.969 6.910 338 HB2 LEU 43 1HB LEU 43 -5.919 6.207 4.859 339 HB3 LEU 43 2HB LEU 43 -5.344 5.608 6.414 340 HG LEU 43 HG LEU 43 -6.867 3.769 4.624 341 HD11 LEU 43 1HD1 LEU 43 -5.252 3.512 3.095 342 HD12 LEU 43 2HD1 LEU 43 -3.961 3.716 4.279 343 HD13 LEU 43 3HD1 LEU 43 -4.753 5.131 3.585 344 HD21 LEU 43 3HD2 LEU 43 -4.664 3.472 6.657 345 HD22 LEU 43 1HD2 LEU 43 -5.261 2.150 5.653 346 HD23 LEU 43 2HD2 LEU 43 -6.342 2.944 6.799 347 H GLY 44 H GLY 44 -7.256 8.178 5.439 348 HA2 GLY 44 1HA GLY 44 -7.533 10.256 6.448 349 HA3 GLY 44 2HA GLY 44 -7.847 9.444 7.974 350 H ASN 45 H ASN 45 -5.629 8.006 8.451 351 HA ASN 45 HA ASN 45 -3.778 9.984 9.295 352 HB2 ASN 45 1HB ASN 45 -3.965 7.017 9.462 353 HB3 ASN 45 2HB ASN 45 -2.380 7.744 9.705 354 HD21 ASN 45 1HD2 ASN 45 -2.124 9.268 11.411 355 HD22 ASN 45 2HD2 ASN 45 -3.164 9.218 12.790 356 H ARG 46 H ARG 46 -3.726 7.545 6.729 357 HA ARG 46 HA ARG 46 -1.116 8.455 5.823 358 HB2 ARG 46 1HB ARG 46 -2.956 6.234 4.953 359 HB3 ARG 46 2HB ARG 46 -1.517 6.666 4.039 360 HG2 ARG 46 1HG ARG 46 -1.568 5.770 6.914 361 HG3 ARG 46 2HG ARG 46 -1.113 4.778 5.527 362 HD2 ARG 46 1HD ARG 46 0.677 6.479 5.040 363 HD3 ARG 46 2HD ARG 46 0.299 7.212 6.599 364 HE ARG 46 HE ARG 46 1.697 4.722 6.132 365 HH11 ARG 46 1HH1 ARG 46 -0.002 6.728 8.414 366 HH12 ARG 46 2HH1 ARG 46 0.713 5.979 9.803 367 HH21 ARG 46 1HH2 ARG 46 2.645 3.728 7.952 368 HH22 ARG 46 2HH2 ARG 46 2.219 4.273 9.539 369 H THR 47 H THR 47 -0.914 8.677 3.341 370 HA THR 47 HA THR 47 -3.181 10.230 2.287 371 HB THR 47 HB THR 47 -1.715 11.910 1.387 372 HG1 THR 47 1HG THR 47 0.513 10.704 2.649 373 HG21 THR 47 3HG2 THR 47 -0.873 11.421 4.244 374 HG22 THR 47 1HG2 THR 47 -2.425 12.114 3.775 375 HG23 THR 47 2HG2 THR 47 -0.929 12.967 3.397 376 H ALA 48 H ALA 48 -3.255 10.394 -0.040 377 HA ALA 48 HA ALA 48 -3.213 8.156 -1.479 378 HB1 ALA 48 3HB ALA 48 -4.026 10.174 -2.459 379 HB2 ALA 48 1HB ALA 48 -2.414 10.890 -2.458 380 HB3 ALA 48 2HB ALA 48 -2.775 9.530 -3.522 381 H LYS 49 H LYS 49 -0.399 10.353 -1.463 382 HA LYS 49 HA LYS 49 1.351 8.813 -2.929 383 HB2 LYS 49 1HB LYS 49 1.578 11.190 -1.776 384 HB3 LYS 49 2HB LYS 49 2.413 10.256 -0.542 385 HG2 LYS 49 1HG LYS 49 3.161 10.091 -3.443 386 HG3 LYS 49 2HG LYS 49 3.833 11.312 -2.359 387 HD2 LYS 49 1HD LYS 49 5.047 9.783 -1.167 388 HD3 LYS 49 2HD LYS 49 3.907 8.472 -1.482 389 HE2 LYS 49 1HE LYS 49 5.805 7.907 -2.729 390 HE3 LYS 49 2HE LYS 49 4.699 8.609 -3.908 391 HZ1 LYS 49 3HZ LYS 49 6.116 10.252 -4.335 392 HZ2 LYS 49 1HZ LYS 49 7.283 9.358 -3.497 393 HZ3 LYS 49 2HZ LYS 49 6.405 10.563 -2.698 394 H GLN 50 H GLN 50 1.426 8.979 0.635 395 HA GLN 50 HA GLN 50 3.129 6.968 1.213 396 HB2 GLN 50 1HB GLN 50 0.656 7.939 2.566 397 HB3 GLN 50 2HB GLN 50 1.411 6.473 3.175 398 HG2 GLN 50 1HG GLN 50 3.274 7.568 3.913 399 HG3 GLN 50 2HG GLN 50 3.120 8.860 2.724 400 HE21 GLN 50 1HE2 GLN 50 3.628 10.057 4.786 401 HE22 GLN 50 2HE2 GLN 50 2.281 10.589 5.727 402 H VAL 51 H VAL 51 -0.352 6.518 0.613 403 HA VAL 51 HA VAL 51 -0.484 3.768 0.924 404 HB VAL 51 HB VAL 51 -2.035 5.455 -1.046 405 HG11 VAL 51 1HG1 VAL 51 -1.952 2.791 -1.105 406 HG12 VAL 51 2HG1 VAL 51 -3.172 2.998 0.153 407 HG13 VAL 51 3HG1 VAL 51 -3.422 3.704 -1.444 408 HG21 VAL 51 3HG2 VAL 51 -3.738 5.570 0.697 409 HG22 VAL 51 1HG2 VAL 51 -2.702 4.643 1.782 410 HG23 VAL 51 2HG2 VAL 51 -2.215 6.257 1.263 411 H ALA 52 H ALA 52 0.284 5.638 -1.994 412 HA ALA 52 HA ALA 52 0.467 3.556 -3.819 413 HB1 ALA 52 3HB ALA 52 2.519 5.460 -4.377 414 HB2 ALA 52 1HB ALA 52 0.960 5.241 -5.173 415 HB3 ALA 52 2HB ALA 52 1.093 6.305 -3.772 416 H SER 53 H SER 53 3.013 4.911 -1.736 417 HA SER 53 HA SER 53 5.117 3.300 -2.608 418 HB2 SER 53 1HB SER 53 4.560 4.672 0.016 419 HB3 SER 53 2HB SER 53 6.027 3.725 -0.234 420 HG SER 53 HG SER 53 6.130 6.057 -0.720 421 H GLN 54 H GLN 54 2.702 2.739 -0.084 422 HA GLN 54 HA GLN 54 3.802 0.294 0.836 423 HB2 GLN 54 1HB GLN 54 1.995 1.906 1.884 424 HB3 GLN 54 2HB GLN 54 0.873 0.854 1.031 425 HG2 GLN 54 1HG GLN 54 1.073 0.049 3.253 426 HG3 GLN 54 2HG GLN 54 1.914 -1.084 2.197 427 HE21 GLN 54 1HE2 GLN 54 2.465 -1.183 4.812 428 HE22 GLN 54 2HE2 GLN 54 4.034 -0.537 5.140 429 H VAL 55 H VAL 55 1.338 1.094 -1.567 430 HA VAL 55 HA VAL 55 0.345 -1.434 -2.109 431 HB VAL 55 HB VAL 55 0.820 0.808 -4.079 432 HG11 VAL 55 1HG1 VAL 55 -1.323 -1.241 -4.383 433 HG12 VAL 55 2HG1 VAL 55 -0.507 -0.271 -5.611 434 HG13 VAL 55 3HG1 VAL 55 0.323 -1.641 -4.873 435 HG21 VAL 55 3HG2 VAL 55 -1.881 0.658 -3.446 436 HG22 VAL 55 1HG2 VAL 55 -1.052 0.460 -1.901 437 HG23 VAL 55 2HG2 VAL 55 -0.735 1.881 -2.897 438 H GLN 56 H GLN 56 3.296 0.109 -3.262 439 HA GLN 56 HA GLN 56 4.005 -1.713 -5.252 440 HB2 GLN 56 1HB GLN 56 5.538 0.166 -3.502 441 HB3 GLN 56 2HB GLN 56 6.421 -0.988 -4.492 442 HG2 GLN 56 1HG GLN 56 5.580 -0.071 -6.491 443 HG3 GLN 56 2HG GLN 56 4.354 0.862 -5.635 444 HE21 GLN 56 1HE2 GLN 56 6.328 1.809 -7.506 445 HE22 GLN 56 2HE2 GLN 56 7.297 2.966 -6.665 446 H LYS 57 H LYS 57 4.768 -1.722 -1.785 447 HA LYS 57 HA LYS 57 6.154 -4.247 -1.969 448 HB2 LYS 57 1HB LYS 57 5.339 -2.548 0.393 449 HB3 LYS 57 2HB LYS 57 6.249 -4.046 0.533 450 HG2 LYS 57 1HG LYS 57 8.090 -3.111 -0.686 451 HG3 LYS 57 2HG LYS 57 7.167 -1.649 -1.040 452 HD2 LYS 57 1HD LYS 57 6.992 -1.375 1.504 453 HD3 LYS 57 2HD LYS 57 8.281 -2.578 1.591 454 HE2 LYS 57 1HE LYS 57 9.698 -1.154 0.192 455 HE3 LYS 57 2HE LYS 57 8.408 0.044 0.101 456 HZ1 LYS 57 3HZ LYS 57 8.712 -0.343 2.765 457 HZ2 LYS 57 1HZ LYS 57 9.379 0.935 1.880 458 HZ3 LYS 57 2HZ LYS 57 10.303 -0.445 2.201 459 H TYR 58 H TYR 58 3.148 -3.816 -2.538 460 HA TYR 58 HA TYR 58 2.171 -5.975 -0.787 461 HB2 TYR 58 1HB TYR 58 0.876 -3.509 -1.825 462 HB3 TYR 58 2HB TYR 58 -0.124 -4.952 -1.709 463 HD1 TYR 58 1HD TYR 58 2.634 -4.249 0.621 464 HD2 TYR 58 2HD TYR 58 -1.572 -4.090 0.004 465 HE1 TYR 58 1HE TYR 58 2.304 -3.822 3.021 466 HE2 TYR 58 2HE TYR 58 -1.914 -3.662 2.402 467 HH TYR 58 HH TYR 58 -0.868 -3.823 4.468 468 H PHE 59 H PHE 59 2.628 -4.868 -4.037 469 HA PHE 59 HA PHE 59 1.415 -7.360 -5.040 470 HB2 PHE 59 1HB PHE 59 1.620 -4.647 -6.354 471 HB3 PHE 59 2HB PHE 59 1.153 -6.109 -7.216 472 HD1 PHE 59 2HD PHE 59 0.236 -4.541 -3.952 473 HD2 PHE 59 1HD PHE 59 -1.091 -6.222 -7.630 474 HE1 PHE 59 2HE PHE 59 -2.100 -4.194 -3.264 475 HE2 PHE 59 1HE PHE 59 -3.430 -5.876 -6.949 476 HZ PHE 59 HZ PHE 59 -3.937 -4.862 -4.762 477 H ILE 60 H ILE 60 4.195 -5.292 -4.992 478 HA ILE 60 HA ILE 60 5.566 -6.903 -7.011 479 HB ILE 60 HB ILE 60 6.635 -4.495 -5.540 480 HG12 ILE 60 1HG1 ILE 60 5.380 -4.564 -8.290 481 HG13 ILE 60 2HG1 ILE 60 4.536 -4.025 -6.842 482 HG21 ILE 60 1HG2 ILE 60 8.242 -4.385 -7.352 483 HG22 ILE 60 2HG2 ILE 60 8.309 -5.967 -6.577 484 HG23 ILE 60 3HG2 ILE 60 7.493 -5.779 -8.129 485 HD11 ILE 60 3HD1 ILE 60 7.122 -2.728 -7.356 486 HD12 ILE 60 1HD1 ILE 60 5.846 -2.391 -8.525 487 HD13 ILE 60 2HD1 ILE 60 5.589 -2.045 -6.815 488 H LYS 61 H LYS 61 5.264 -6.611 -3.626 489 HA LYS 61 HA LYS 61 7.845 -7.801 -3.037 490 HB2 LYS 61 1HB LYS 61 6.834 -6.080 -1.550 491 HB3 LYS 61 2HB LYS 61 5.536 -7.207 -1.177 492 HG2 LYS 61 1HG LYS 61 7.572 -8.763 -0.518 493 HG3 LYS 61 2HG LYS 61 8.364 -7.203 -0.289 494 HD2 LYS 61 1HD LYS 61 7.448 -7.696 1.807 495 HD3 LYS 61 2HD LYS 61 6.296 -6.569 1.087 496 HE2 LYS 61 1HE LYS 61 5.023 -8.317 2.060 497 HE3 LYS 61 2HE LYS 61 4.985 -8.574 0.316 498 HZ1 LYS 61 3HZ LYS 61 7.101 -9.917 1.807 499 HZ2 LYS 61 1HZ LYS 61 6.212 -10.451 0.471 500 HZ3 LYS 61 2HZ LYS 61 5.529 -10.505 2.018 501 H LEU 62 H LEU 62 4.427 -8.708 -2.969 502 HA LEU 62 HA LEU 62 4.911 -11.335 -1.949 503 HB2 LEU 62 1HB LEU 62 2.624 -11.681 -2.124 504 HB3 LEU 62 2HB LEU 62 2.761 -9.950 -1.823 505 HG LEU 62 HG LEU 62 1.105 -10.123 -3.455 506 HD11 LEU 62 1HD1 LEU 62 2.758 -8.444 -4.034 507 HD12 LEU 62 2HD1 LEU 62 2.094 -9.183 -5.491 508 HD13 LEU 62 3HD1 LEU 62 3.697 -9.647 -4.920 509 HD21 LEU 62 3HD2 LEU 62 2.012 -12.587 -3.961 510 HD22 LEU 62 1HD2 LEU 62 2.654 -11.753 -5.377 511 HD23 LEU 62 2HD2 LEU 62 0.921 -11.724 -5.047 512 H THR 63 H THR 63 5.845 -10.075 -4.757 513 HA THR 63 HA THR 63 4.941 -11.775 -6.773 514 HB THR 63 HB THR 63 6.319 -9.705 -7.114 515 HG1 THR 63 1HG THR 63 7.387 -10.602 -8.940 516 HG21 THR 63 3HG2 THR 63 8.709 -9.811 -6.965 517 HG22 THR 63 1HG2 THR 63 8.660 -11.519 -6.533 518 HG23 THR 63 2HG2 THR 63 8.050 -10.307 -5.406 519 H LYS 64 H LYS 64 6.205 -13.472 -7.893 520 HA LYS 64 HA LYS 64 6.836 -15.586 -6.125 521 HB2 LYS 64 1HB LYS 64 7.417 -16.846 -8.127 522 HB3 LYS 64 2HB LYS 64 5.927 -15.948 -8.383 523 HG2 LYS 64 1HG LYS 64 7.261 -14.202 -9.555 524 HG3 LYS 64 2HG LYS 64 8.667 -15.261 -9.420 525 HD2 LYS 64 1HD LYS 64 7.472 -16.993 -10.680 526 HD3 LYS 64 2HD LYS 64 6.076 -15.922 -10.823 527 HE2 LYS 64 1HE LYS 64 8.765 -15.015 -11.766 528 HE3 LYS 64 2HE LYS 64 7.795 -16.090 -12.774 529 HZ1 LYS 64 3HZ LYS 64 7.594 -13.490 -12.947 530 HZ2 LYS 64 1HZ LYS 64 6.501 -13.708 -11.674 531 HZ3 LYS 64 2HZ LYS 64 6.245 -14.491 -13.151 532 H ALA 65 H ALA 65 8.846 -16.706 -5.882 533 HA ALA 65 HA ALA 65 11.106 -14.878 -5.747 534 HB1 ALA 65 3HB ALA 65 10.214 -16.784 -4.030 535 HB2 ALA 65 1HB ALA 65 11.510 -17.644 -4.860 536 HB3 ALA 65 2HB ALA 65 11.848 -16.123 -4.033 537 H GLY 66 H GLY 66 10.003 -17.589 -7.610 538 HA2 GLY 66 1HA GLY 66 12.212 -18.787 -8.614 539 HA3 GLY 66 2HA GLY 66 10.824 -18.392 -9.617 540 H ILE 67 H ILE 67 11.142 -15.524 -9.363 541 HA ILE 67 HA ILE 67 12.508 -14.855 -11.598 542 HB ILE 67 HB ILE 67 12.381 -13.195 -9.078 543 HG12 ILE 67 1HG1 ILE 67 10.617 -13.004 -11.516 544 HG13 ILE 67 2HG1 ILE 67 10.212 -14.031 -10.146 545 HG21 ILE 67 1HG2 ILE 67 12.971 -11.314 -10.324 546 HG22 ILE 67 2HG2 ILE 67 14.087 -12.558 -10.885 547 HG23 ILE 67 3HG2 ILE 67 12.683 -12.126 -11.862 548 HD11 ILE 67 3HD1 ILE 67 10.488 -11.889 -8.747 549 HD12 ILE 67 1HD1 ILE 67 10.351 -11.051 -10.292 550 HD13 ILE 67 2HD1 ILE 67 9.037 -12.085 -9.729 551 HA PRO 68 HA PRO 68 16.786 -15.637 -10.859 552 HB2 PRO 68 1HB PRO 68 17.809 -14.120 -12.865 553 HB3 PRO 68 2HB PRO 68 17.011 -15.672 -13.145 554 HG2 PRO 68 1HG PRO 68 15.916 -12.900 -13.427 555 HG3 PRO 68 2HG PRO 68 15.712 -14.298 -14.499 556 HD2 PRO 68 1HD PRO 68 13.811 -13.529 -12.731 557 HD3 PRO 68 2HD PRO 68 14.065 -15.227 -13.182 558 H VAL 69 H VAL 69 18.578 -14.674 -9.925 559 HA VAL 69 HA VAL 69 19.371 -13.211 -8.293 560 HB VAL 69 HB VAL 69 20.398 -12.722 -10.612 561 HG11 VAL 69 1HG1 VAL 69 19.527 -9.971 -10.531 562 HG12 VAL 69 2HG1 VAL 69 19.552 -11.104 -11.884 563 HG13 VAL 69 3HG1 VAL 69 18.168 -11.064 -10.790 564 HG21 VAL 69 3HG2 VAL 69 21.938 -11.476 -9.539 565 HG22 VAL 69 1HG2 VAL 69 20.746 -10.307 -8.970 566 HG23 VAL 69 2HG2 VAL 69 20.959 -11.836 -8.117 567 H SER 70 H SER 70 16.567 -13.184 -8.150 568 HA SER 70 HA SER 70 15.086 -10.984 -8.391 569 HB2 SER 70 1HB SER 70 15.366 -12.879 -6.093 570 HB3 SER 70 2HB SER 70 14.325 -11.468 -5.907 571 HG SER 70 HG SER 70 14.136 -13.437 -7.945 572 H GLY 71 H GLY 71 14.697 -9.034 -7.264 573 HA2 GLY 71 1HA GLY 71 16.653 -7.287 -6.838 574 HA3 GLY 71 2HA GLY 71 15.210 -7.262 -5.835 575 HA PRO 72 HA PRO 72 18.929 -9.434 -3.535 576 HB2 PRO 72 1HB PRO 72 21.298 -8.241 -4.109 577 HB3 PRO 72 2HB PRO 72 20.701 -9.659 -4.979 578 HG2 PRO 72 1HG PRO 72 20.597 -6.772 -5.764 579 HG3 PRO 72 2HG PRO 72 20.995 -8.187 -6.756 580 HD2 PRO 72 1HD PRO 72 18.560 -7.006 -6.816 581 HD3 PRO 72 2HD PRO 72 18.782 -8.749 -7.068 582 H SER 73 H SER 73 20.648 -8.362 -1.971 583 HA SER 73 HA SER 73 19.439 -5.850 -1.025 584 HB2 SER 73 1HB SER 73 20.147 -6.483 1.214 585 HB3 SER 73 2HB SER 73 19.227 -7.806 0.498 586 HG SER 73 HG SER 73 21.324 -8.710 -0.089 587 H SER 74 H SER 74 21.010 -4.517 0.348 588 HA SER 74 HA SER 74 23.361 -4.023 -1.287 589 HB2 SER 74 1HB SER 74 21.757 -2.211 -0.443 590 HB3 SER 74 2HB SER 74 22.510 -2.437 1.135 591 HG SER 74 HG SER 74 24.260 -1.467 0.446 592 H GLY 75 H GLY 75 25.450 -3.515 -0.217 593 HA2 GLY 75 1HA GLY 75 25.920 -4.719 2.377 594 HA3 GLY 75 2HA GLY 75 26.633 -5.587 1.025 Start of MODEL 17 1 H1 GLY 1 H GLY 1 12.515 -0.622 -13.787 2 HA2 GLY 1 1HA GLY 1 12.095 -0.520 -11.473 3 HA3 GLY 1 2HA GLY 1 13.527 -1.536 -11.547 4 H SER 2 H SER 2 12.882 -0.018 -9.303 5 HA SER 2 HA SER 2 15.313 1.395 -8.904 6 HB2 SER 2 1HB SER 2 14.026 3.100 -10.206 7 HB3 SER 2 2HB SER 2 12.814 3.103 -8.925 8 HG SER 2 HG SER 2 14.788 4.661 -8.970 9 H SER 3 H SER 3 15.517 2.222 -6.707 10 HA SER 3 HA SER 3 13.452 1.321 -4.839 11 HB2 SER 3 1HB SER 3 16.327 0.411 -4.853 12 HB3 SER 3 2HB SER 3 15.337 0.354 -3.395 13 HG SER 3 HG SER 3 15.433 -1.568 -4.908 14 H GLY 4 H GLY 4 13.131 2.709 -3.207 15 HA2 GLY 4 1HA GLY 4 14.188 5.259 -3.158 16 HA3 GLY 4 2HA GLY 4 13.432 4.481 -1.776 17 H SER 5 H SER 5 15.846 6.292 -2.158 18 HA SER 5 HA SER 5 17.988 4.593 -1.141 19 HB2 SER 5 1HB SER 5 17.914 7.510 -1.938 20 HB3 SER 5 2HB SER 5 19.342 6.714 -1.275 21 HG SER 5 HG SER 5 17.969 6.025 -3.664 22 H SER 6 H SER 6 16.439 7.662 -0.184 23 HA SER 6 HA SER 6 16.768 6.853 2.624 24 HB2 SER 6 1HB SER 6 18.532 8.508 1.953 25 HB3 SER 6 2HB SER 6 17.245 9.664 1.609 26 HG SER 6 HG SER 6 18.362 9.506 3.839 27 H GLY 7 H GLY 7 14.901 6.882 3.681 28 HA2 GLY 7 1HA GLY 7 13.023 8.352 4.389 29 HA3 GLY 7 2HA GLY 7 12.767 8.666 2.679 30 H ASN 8 H ASN 8 11.986 6.683 5.315 31 HA ASN 8 HA ASN 8 10.114 5.191 3.694 32 HB2 ASN 8 1HB ASN 8 12.346 3.915 3.711 33 HB3 ASN 8 2HB ASN 8 12.011 3.601 5.412 34 HD21 ASN 8 1HD2 ASN 8 11.181 1.681 5.732 35 HD22 ASN 8 2HD2 ASN 8 10.088 0.849 4.683 36 H GLN 9 H GLN 9 8.298 5.550 4.782 37 HA GLN 9 HA GLN 9 8.360 5.650 7.706 38 HB2 GLN 9 1HB GLN 9 6.315 6.519 5.668 39 HB3 GLN 9 2HB GLN 9 5.967 6.469 7.392 40 HG2 GLN 9 1HG GLN 9 6.578 8.709 6.649 41 HG3 GLN 9 2HG GLN 9 7.725 8.073 7.826 42 HE21 GLN 9 1HE2 GLN 9 7.191 8.714 4.420 43 HE22 GLN 9 2HE2 GLN 9 8.859 8.796 3.979 44 H LEU 10 H LEU 10 7.866 3.889 8.816 45 HA LEU 10 HA LEU 10 6.745 1.573 7.597 46 HB2 LEU 10 1HB LEU 10 7.639 2.343 10.323 47 HB3 LEU 10 2HB LEU 10 6.561 0.957 10.173 48 HG LEU 10 HG LEU 10 9.085 1.109 8.564 49 HD11 LEU 10 1HD1 LEU 10 9.750 1.498 10.875 50 HD12 LEU 10 2HD1 LEU 10 10.237 -0.110 10.339 51 HD13 LEU 10 3HD1 LEU 10 8.832 0.082 11.388 52 HD21 LEU 10 3HD2 LEU 10 8.200 -0.794 7.814 53 HD22 LEU 10 1HD2 LEU 10 6.981 -0.823 9.089 54 HD23 LEU 10 2HD2 LEU 10 8.591 -1.478 9.393 55 H TRP 11 H TRP 11 4.810 0.448 8.418 56 HA TRP 11 HA TRP 11 2.658 2.377 8.987 57 HB2 TRP 11 1HB TRP 11 2.660 -0.219 7.453 58 HB3 TRP 11 2HB TRP 11 1.171 0.542 8.006 59 HD1 TRP 11 HD TRP 11 4.287 2.037 6.217 60 HE1 TRP 11 1HE TRP 11 3.454 3.379 4.184 61 HE3 TRP 11 3HE TRP 11 -0.726 1.128 6.642 62 HZ2 TRP 11 2HZ TRP 11 0.997 3.975 2.928 63 HZ3 TRP 11 3HZ TRP 11 -2.250 2.122 4.985 64 HH2 TRP 11 HH TRP 11 -1.404 3.516 3.168 65 H THR 12 H THR 12 0.764 1.413 10.169 66 HA THR 12 HA THR 12 1.755 -0.304 12.347 67 HB THR 12 HB THR 12 1.136 1.833 13.224 68 HG1 THR 12 1HG THR 12 -1.194 0.373 13.804 69 HG21 THR 12 3HG2 THR 12 -0.227 2.691 11.435 70 HG22 THR 12 1HG2 THR 12 -1.172 2.729 12.923 71 HG23 THR 12 2HG2 THR 12 -1.460 1.465 11.727 72 H VAL 13 H VAL 13 0.578 -2.065 13.015 73 HA VAL 13 HA VAL 13 -0.698 -3.715 11.373 74 HB VAL 13 HB VAL 13 -1.515 -3.209 14.236 75 HG11 VAL 13 1HG1 VAL 13 -2.044 -5.851 13.685 76 HG12 VAL 13 2HG1 VAL 13 -3.241 -4.560 13.800 77 HG13 VAL 13 3HG1 VAL 13 -2.591 -5.024 12.227 78 HG21 VAL 13 3HG2 VAL 13 0.863 -3.840 13.803 79 HG22 VAL 13 1HG2 VAL 13 -0.026 -4.998 14.794 80 HG23 VAL 13 2HG2 VAL 13 0.279 -5.345 13.092 81 H GLU 14 H GLU 14 -2.537 -1.388 13.361 82 HA GLU 14 HA GLU 14 -5.062 -1.779 12.495 83 HB2 GLU 14 1HB GLU 14 -3.715 0.897 12.891 84 HB3 GLU 14 2HB GLU 14 -5.454 0.662 12.793 85 HG2 GLU 14 1HG GLU 14 -5.005 -1.039 14.743 86 HG3 GLU 14 2HG GLU 14 -3.561 -0.053 14.968 87 H GLU 15 H GLU 15 -3.006 0.688 10.938 88 HA GLU 15 HA GLU 15 -4.628 1.040 8.695 89 HB2 GLU 15 1HB GLU 15 -1.656 1.467 9.030 90 HB3 GLU 15 2HB GLU 15 -2.575 2.008 7.632 91 HG2 GLU 15 1HG GLU 15 -3.022 2.885 10.476 92 HG3 GLU 15 2HG GLU 15 -2.201 3.813 9.222 93 H GLN 16 H GLN 16 -1.740 -0.994 9.100 94 HA GLN 16 HA GLN 16 -1.340 -2.008 6.635 95 HB2 GLN 16 1HB GLN 16 -1.290 -3.370 9.311 96 HB3 GLN 16 2HB GLN 16 -0.900 -4.259 7.844 97 HG2 GLN 16 1HG GLN 16 0.798 -2.414 7.384 98 HG3 GLN 16 2HG GLN 16 0.549 -1.937 9.063 99 HE21 GLN 16 1HE2 GLN 16 2.700 -3.377 7.290 100 HE22 GLN 16 2HE2 GLN 16 3.248 -4.637 8.337 101 H LYS 17 H LYS 17 -3.440 -3.761 8.921 102 HA LYS 17 HA LYS 17 -4.652 -5.348 6.936 103 HB2 LYS 17 1HB LYS 17 -6.426 -5.688 8.778 104 HB3 LYS 17 2HB LYS 17 -4.781 -6.220 9.099 105 HG2 LYS 17 1HG LYS 17 -4.402 -4.578 10.646 106 HG3 LYS 17 2HG LYS 17 -5.577 -3.475 9.925 107 HD2 LYS 17 1HD LYS 17 -7.344 -4.426 11.019 108 HD3 LYS 17 2HD LYS 17 -6.586 -6.019 11.084 109 HE2 LYS 17 1HE LYS 17 -5.341 -3.809 12.633 110 HE3 LYS 17 2HE LYS 17 -6.846 -4.498 13.238 111 HZ1 LYS 17 3HZ LYS 17 -4.818 -5.570 14.128 112 HZ2 LYS 17 1HZ LYS 17 -4.441 -6.101 12.566 113 HZ3 LYS 17 2HZ LYS 17 -5.848 -6.648 13.329 114 H LYS 18 H LYS 18 -5.595 -2.296 8.433 115 HA LYS 18 HA LYS 18 -8.186 -2.093 7.412 116 HB2 LYS 18 1HB LYS 18 -7.186 -0.605 9.148 117 HB3 LYS 18 2HB LYS 18 -6.247 0.178 7.883 118 HG2 LYS 18 1HG LYS 18 -9.181 0.042 7.509 119 HG3 LYS 18 2HG LYS 18 -8.564 1.138 8.747 120 HD2 LYS 18 1HD LYS 18 -7.011 2.063 6.988 121 HD3 LYS 18 2HD LYS 18 -7.922 1.123 5.803 122 HE2 LYS 18 1HE LYS 18 -8.964 3.319 7.586 123 HE3 LYS 18 2HE LYS 18 -8.777 3.368 5.834 124 HZ1 LYS 18 3HZ LYS 18 -10.827 2.592 5.661 125 HZ2 LYS 18 1HZ LYS 18 -10.969 2.450 7.341 126 HZ3 LYS 18 2HZ LYS 18 -10.358 1.161 6.431 127 H LEU 19 H LEU 19 -5.101 -1.641 5.888 128 HA LEU 19 HA LEU 19 -6.184 -0.262 3.591 129 HB2 LEU 19 1HB LEU 19 -3.986 0.349 4.125 130 HB3 LEU 19 2HB LEU 19 -3.478 -1.327 4.324 131 HG LEU 19 HG LEU 19 -3.627 -1.652 1.897 132 HD11 LEU 19 1HD1 LEU 19 -3.730 0.622 0.604 133 HD12 LEU 19 2HD1 LEU 19 -4.662 1.139 2.008 134 HD13 LEU 19 3HD1 LEU 19 -5.210 -0.231 1.042 135 HD21 LEU 19 3HD2 LEU 19 -1.508 -0.999 1.729 136 HD22 LEU 19 1HD2 LEU 19 -1.695 -0.244 3.312 137 HD23 LEU 19 2HD2 LEU 19 -1.952 0.705 1.848 138 H GLU 20 H GLU 20 -4.721 -3.454 4.196 139 HA GLU 20 HA GLU 20 -4.837 -4.630 1.768 140 HB2 GLU 20 1HB GLU 20 -5.354 -5.674 4.515 141 HB3 GLU 20 2HB GLU 20 -5.680 -6.730 3.148 142 HG2 GLU 20 1HG GLU 20 -3.387 -6.497 2.391 143 HG3 GLU 20 2HG GLU 20 -3.048 -5.385 3.716 144 H GLN 21 H GLN 21 -7.586 -4.153 3.945 145 HA GLN 21 HA GLN 21 -9.483 -5.512 2.346 146 HB2 GLN 21 1HB GLN 21 -9.626 -3.576 4.617 147 HB3 GLN 21 2HB GLN 21 -11.088 -3.916 3.701 148 HG2 GLN 21 1HG GLN 21 -10.729 -5.290 5.777 149 HG3 GLN 21 2HG GLN 21 -11.059 -6.189 4.297 150 HE21 GLN 21 1HE2 GLN 21 -9.505 -7.507 3.444 151 HE22 GLN 21 2HE2 GLN 21 -8.025 -7.877 4.255 152 H LEU 22 H LEU 22 -8.860 -2.027 2.772 153 HA LEU 22 HA LEU 22 -10.690 -1.066 0.928 154 HB2 LEU 22 1HB LEU 22 -8.034 -0.029 1.859 155 HB3 LEU 22 2HB LEU 22 -9.003 0.854 0.681 156 HG LEU 22 HG LEU 22 -10.261 0.073 3.268 157 HD11 LEU 22 1HD1 LEU 22 -7.919 1.128 3.612 158 HD12 LEU 22 2HD1 LEU 22 -9.297 1.767 4.507 159 HD13 LEU 22 3HD1 LEU 22 -8.702 2.616 3.080 160 HD21 LEU 22 3HD2 LEU 22 -11.820 1.557 2.663 161 HD22 LEU 22 1HD2 LEU 22 -11.088 1.471 1.060 162 HD23 LEU 22 2HD2 LEU 22 -10.620 2.756 2.175 163 H LEU 23 H LEU 23 -7.284 -1.943 0.400 164 HA LEU 23 HA LEU 23 -6.854 -1.268 -2.172 165 HB2 LEU 23 1HB LEU 23 -6.052 -3.616 -0.550 166 HB3 LEU 23 2HB LEU 23 -5.752 -3.692 -2.285 167 HG LEU 23 HG LEU 23 -4.785 -1.371 -0.650 168 HD11 LEU 23 1HD1 LEU 23 -3.300 -3.953 -1.112 169 HD12 LEU 23 2HD1 LEU 23 -3.971 -3.423 0.430 170 HD13 LEU 23 3HD1 LEU 23 -2.671 -2.504 -0.328 171 HD21 LEU 23 3HD2 LEU 23 -4.562 -0.903 -2.912 172 HD22 LEU 23 1HD2 LEU 23 -4.169 -2.573 -3.322 173 HD23 LEU 23 2HD2 LEU 23 -2.982 -1.566 -2.492 174 H ILE 24 H ILE 24 -8.606 -4.180 -1.131 175 HA ILE 24 HA ILE 24 -9.202 -5.061 -3.767 176 HB ILE 24 HB ILE 24 -10.576 -5.741 -1.164 177 HG12 ILE 24 1HG1 ILE 24 -8.708 -7.579 -2.593 178 HG13 ILE 24 2HG1 ILE 24 -8.020 -6.252 -1.666 179 HG21 ILE 24 1HG2 ILE 24 -11.050 -7.878 -2.642 180 HG22 ILE 24 2HG2 ILE 24 -12.117 -6.475 -2.679 181 HG23 ILE 24 3HG2 ILE 24 -10.920 -6.706 -3.953 182 HD11 ILE 24 3HD1 ILE 24 -8.288 -8.507 -0.513 183 HD12 ILE 24 1HD1 ILE 24 -8.854 -7.075 0.347 184 HD13 ILE 24 2HD1 ILE 24 -10.011 -8.134 -0.461 185 H LYS 25 H LYS 25 -11.089 -3.322 -1.309 186 HA LYS 25 HA LYS 25 -13.515 -3.139 -2.601 187 HB2 LYS 25 1HB LYS 25 -13.234 -2.349 -0.334 188 HB3 LYS 25 2HB LYS 25 -12.127 -1.091 -0.865 189 HG2 LYS 25 1HG LYS 25 -14.865 -1.117 -2.012 190 HG3 LYS 25 2HG LYS 25 -14.659 -0.585 -0.342 191 HD2 LYS 25 1HD LYS 25 -13.438 1.265 -0.939 192 HD3 LYS 25 2HD LYS 25 -12.844 0.525 -2.428 193 HE2 LYS 25 1HE LYS 25 -15.751 1.156 -2.112 194 HE3 LYS 25 2HE LYS 25 -14.611 2.428 -2.549 195 HZ1 LYS 25 3HZ LYS 25 -14.477 -0.055 -4.073 196 HZ2 LYS 25 1HZ LYS 25 -14.262 1.543 -4.586 197 HZ3 LYS 25 2HZ LYS 25 -15.821 0.935 -4.346 198 H TYR 26 H TYR 26 -10.771 -0.885 -2.863 199 HA TYR 26 HA TYR 26 -12.074 0.461 -5.097 200 HB2 TYR 26 1HB TYR 26 -9.611 1.046 -3.467 201 HB3 TYR 26 2HB TYR 26 -9.958 1.915 -4.958 202 HD1 TYR 26 1HD TYR 26 -12.096 3.244 -5.118 203 HD2 TYR 26 2HD TYR 26 -10.683 1.624 -1.446 204 HE1 TYR 26 1HE TYR 26 -13.549 4.796 -3.882 205 HE2 TYR 26 2HE TYR 26 -12.133 3.170 -0.200 206 HH TYR 26 HH TYR 26 -13.303 5.794 -1.187 207 HA PRO 27 HA PRO 27 -9.790 -2.347 -7.776 208 HB2 PRO 27 1HB PRO 27 -11.122 -1.631 -10.030 209 HB3 PRO 27 2HB PRO 27 -11.783 -2.761 -8.842 210 HG2 PRO 27 1HG PRO 27 -12.347 0.157 -9.200 211 HG3 PRO 27 2HG PRO 27 -13.478 -1.169 -8.876 212 HD2 PRO 27 1HD PRO 27 -12.607 0.509 -6.938 213 HD3 PRO 27 2HD PRO 27 -13.000 -1.193 -6.621 214 HA PRO 28 HA PRO 28 -6.779 0.315 -9.565 215 HB2 PRO 28 1HB PRO 28 -6.012 -1.132 -11.730 216 HB3 PRO 28 2HB PRO 28 -5.580 -1.577 -10.075 217 HG2 PRO 28 1HG PRO 28 -7.764 -2.652 -11.816 218 HG3 PRO 28 2HG PRO 28 -6.648 -3.528 -10.753 219 HD2 PRO 28 1HD PRO 28 -9.197 -2.960 -10.038 220 HD3 PRO 28 2HD PRO 28 -7.870 -3.044 -8.860 221 H GLU 29 H GLU 29 -6.425 1.815 -11.216 222 HA GLU 29 HA GLU 29 -8.271 1.854 -13.477 223 HB2 GLU 29 1HB GLU 29 -8.847 4.228 -13.055 224 HB3 GLU 29 2HB GLU 29 -9.458 3.143 -11.815 225 HG2 GLU 29 1HG GLU 29 -7.583 3.763 -10.363 226 HG3 GLU 29 2HG GLU 29 -7.010 4.879 -11.600 227 H GLU 30 H GLU 30 -7.622 3.293 -15.181 228 HA GLU 30 HA GLU 30 -5.113 3.175 -16.067 229 HB2 GLU 30 1HB GLU 30 -6.985 4.226 -17.302 230 HB3 GLU 30 2HB GLU 30 -6.806 5.668 -16.312 231 HG2 GLU 30 1HG GLU 30 -4.446 4.665 -17.816 232 HG3 GLU 30 2HG GLU 30 -5.724 5.505 -18.693 233 H VAL 31 H VAL 31 -6.276 5.823 -13.992 234 HA VAL 31 HA VAL 31 -3.496 6.634 -13.526 235 HB VAL 31 HB VAL 31 -6.034 8.070 -12.736 236 HG11 VAL 31 1HG1 VAL 31 -3.435 8.395 -11.809 237 HG12 VAL 31 2HG1 VAL 31 -3.643 9.673 -13.008 238 HG13 VAL 31 3HG1 VAL 31 -4.764 9.543 -11.653 239 HG21 VAL 31 3HG2 VAL 31 -4.732 9.554 -14.681 240 HG22 VAL 31 1HG2 VAL 31 -4.632 7.893 -15.266 241 HG23 VAL 31 2HG2 VAL 31 -6.203 8.604 -14.895 242 H GLU 32 H GLU 32 -2.779 5.151 -12.030 243 HA GLU 32 HA GLU 32 -4.114 4.084 -9.875 244 HB2 GLU 32 1HB GLU 32 -1.863 3.838 -8.812 245 HB3 GLU 32 2HB GLU 32 -1.946 3.257 -10.469 246 HG2 GLU 32 1HG GLU 32 -1.086 5.651 -11.046 247 HG3 GLU 32 2HG GLU 32 -0.552 5.646 -9.366 248 H SER 33 H SER 33 -2.530 7.215 -10.138 249 HA SER 33 HA SER 33 -2.365 8.068 -7.561 250 HB2 SER 33 1HB SER 33 -1.720 9.433 -9.519 251 HB3 SER 33 2HB SER 33 -3.424 9.717 -9.871 252 HG SER 33 HG SER 33 -3.482 11.172 -8.354 253 H ARG 34 H ARG 34 -5.275 8.366 -9.600 254 HA ARG 34 HA ARG 34 -6.984 9.474 -7.732 255 HB2 ARG 34 1HB ARG 34 -7.444 7.651 -10.073 256 HB3 ARG 34 2HB ARG 34 -8.788 8.149 -9.054 257 HG2 ARG 34 1HG ARG 34 -8.572 10.391 -9.659 258 HG3 ARG 34 2HG ARG 34 -6.936 10.159 -10.279 259 HD2 ARG 34 1HD ARG 34 -7.726 8.996 -12.184 260 HD3 ARG 34 2HD ARG 34 -9.343 8.832 -11.500 261 HE ARG 34 HE ARG 34 -8.260 11.118 -12.878 262 HH11 ARG 34 1HH1 ARG 34 -10.675 9.979 -10.643 263 HH12 ARG 34 2HH1 ARG 34 -11.759 11.298 -10.940 264 HH21 ARG 34 1HH2 ARG 34 -9.679 12.858 -13.278 265 HH22 ARG 34 2HH2 ARG 34 -11.192 12.934 -12.440 266 H ARG 35 H ARG 35 -6.290 6.045 -8.324 267 HA ARG 35 HA ARG 35 -8.116 4.926 -6.553 268 HB2 ARG 35 1HB ARG 35 -6.909 3.532 -8.096 269 HB3 ARG 35 2HB ARG 35 -5.369 3.983 -7.378 270 HG2 ARG 35 1HG ARG 35 -6.021 2.850 -5.301 271 HG3 ARG 35 2HG ARG 35 -7.540 2.367 -6.059 272 HD2 ARG 35 1HD ARG 35 -6.356 1.064 -7.705 273 HD3 ARG 35 2HD ARG 35 -4.805 1.640 -7.097 274 HE ARG 35 HE ARG 35 -5.899 0.468 -4.929 275 HH11 ARG 35 1HH1 ARG 35 -5.420 -0.593 -8.210 276 HH12 ARG 35 2HH1 ARG 35 -5.254 -2.264 -7.783 277 HH21 ARG 35 1HH2 ARG 35 -5.682 -1.728 -4.354 278 HH22 ARG 35 2HH2 ARG 35 -5.404 -2.909 -5.590 279 H TRP 36 H TRP 36 -4.652 5.512 -5.918 280 HA TRP 36 HA TRP 36 -4.620 4.903 -3.233 281 HB2 TRP 36 1HB TRP 36 -3.034 7.222 -4.309 282 HB3 TRP 36 2HB TRP 36 -2.564 6.031 -3.099 283 HD1 TRP 36 HD TRP 36 -1.297 6.868 -6.180 284 HE1 TRP 36 1HE TRP 36 -0.548 4.869 -7.616 285 HE3 TRP 36 3HE TRP 36 -3.848 3.144 -3.780 286 HZ2 TRP 36 2HZ TRP 36 -0.981 2.081 -7.719 287 HZ3 TRP 36 3HZ TRP 36 -3.626 0.838 -4.611 288 HH2 TRP 36 HH TRP 36 -2.222 0.320 -6.540 289 H GLN 37 H GLN 37 -5.614 7.900 -4.793 290 HA GLN 37 HA GLN 37 -5.813 9.504 -2.499 291 HB2 GLN 37 1HB GLN 37 -5.887 10.407 -4.781 292 HB3 GLN 37 2HB GLN 37 -7.440 9.625 -5.045 293 HG2 GLN 37 1HG GLN 37 -7.583 12.052 -4.548 294 HG3 GLN 37 2HG GLN 37 -8.506 11.030 -3.447 295 HE21 GLN 37 1HE2 GLN 37 -8.377 11.643 -1.423 296 HE22 GLN 37 2HE2 GLN 37 -7.018 12.392 -0.662 297 H LYS 38 H LYS 38 -8.198 7.419 -4.093 298 HA LYS 38 HA LYS 38 -10.386 8.031 -2.456 299 HB2 LYS 38 1HB LYS 38 -9.737 5.440 -3.874 300 HB3 LYS 38 2HB LYS 38 -11.310 5.864 -3.211 301 HG2 LYS 38 1HG LYS 38 -11.475 7.733 -4.762 302 HG3 LYS 38 2HG LYS 38 -9.883 7.341 -5.414 303 HD2 LYS 38 1HD LYS 38 -10.738 5.135 -6.107 304 HD3 LYS 38 2HD LYS 38 -12.336 5.583 -5.504 305 HE2 LYS 38 1HE LYS 38 -11.956 7.661 -7.093 306 HE3 LYS 38 2HE LYS 38 -10.865 6.541 -7.907 307 HZ1 LYS 38 3HZ LYS 38 -13.281 6.619 -8.669 308 HZ2 LYS 38 1HZ LYS 38 -13.638 5.767 -7.252 309 HZ3 LYS 38 2HZ LYS 38 -12.597 5.095 -8.402 310 H ILE 39 H ILE 39 -7.959 5.451 -2.170 311 HA ILE 39 HA ILE 39 -9.019 4.305 0.182 312 HB ILE 39 HB ILE 39 -6.179 4.253 -0.846 313 HG12 ILE 39 1HG1 ILE 39 -8.116 1.981 -1.055 314 HG13 ILE 39 2HG1 ILE 39 -8.224 3.304 -2.211 315 HG21 ILE 39 1HG2 ILE 39 -7.559 2.747 1.351 316 HG22 ILE 39 2HG2 ILE 39 -6.140 2.097 0.532 317 HG23 ILE 39 3HG2 ILE 39 -6.031 3.626 1.402 318 HD11 ILE 39 3HD1 ILE 39 -5.905 1.456 -1.740 319 HD12 ILE 39 1HD1 ILE 39 -6.895 1.612 -3.191 320 HD13 ILE 39 2HD1 ILE 39 -5.802 2.916 -2.724 321 H ALA 40 H ALA 40 -6.282 6.539 -0.286 322 HA ALA 40 HA ALA 40 -5.410 6.905 2.256 323 HB1 ALA 40 3HB ALA 40 -5.862 9.231 0.401 324 HB2 ALA 40 1HB ALA 40 -4.603 9.039 1.622 325 HB3 ALA 40 2HB ALA 40 -4.579 8.044 0.165 326 H ASP 41 H ASP 41 -8.258 8.436 0.802 327 HA ASP 41 HA ASP 41 -8.966 10.149 2.859 328 HB2 ASP 41 1HB ASP 41 -10.037 9.884 0.547 329 HB3 ASP 41 2HB ASP 41 -10.994 8.591 1.264 330 H GLU 42 H GLU 42 -9.979 6.768 2.386 331 HA GLU 42 HA GLU 42 -11.538 6.563 4.706 332 HB2 GLU 42 1HB GLU 42 -10.231 4.638 2.854 333 HB3 GLU 42 2HB GLU 42 -10.753 4.025 4.417 334 HG2 GLU 42 1HG GLU 42 -12.659 5.622 2.782 335 HG3 GLU 42 2HG GLU 42 -12.337 3.946 2.339 336 H LEU 43 H LEU 43 -8.137 5.692 4.143 337 HA LEU 43 HA LEU 43 -7.546 4.703 6.672 338 HB2 LEU 43 1HB LEU 43 -5.822 6.168 4.688 339 HB3 LEU 43 2HB LEU 43 -5.190 5.420 6.153 340 HG LEU 43 HG LEU 43 -6.752 3.732 4.260 341 HD11 LEU 43 1HD1 LEU 43 -3.867 4.495 3.830 342 HD12 LEU 43 2HD1 LEU 43 -5.221 4.989 2.815 343 HD13 LEU 43 3HD1 LEU 43 -4.777 3.286 2.923 344 HD21 LEU 43 3HD2 LEU 43 -5.455 3.260 6.608 345 HD22 LEU 43 1HD2 LEU 43 -4.227 2.810 5.425 346 HD23 LEU 43 2HD2 LEU 43 -5.812 2.037 5.388 347 H GLY 44 H GLY 44 -7.358 8.037 5.461 348 HA2 GLY 44 1HA GLY 44 -7.585 10.017 6.636 349 HA3 GLY 44 2HA GLY 44 -7.845 9.076 8.097 350 H ASN 45 H ASN 45 -5.569 7.652 8.379 351 HA ASN 45 HA ASN 45 -3.738 9.642 9.298 352 HB2 ASN 45 1HB ASN 45 -3.621 6.625 9.235 353 HB3 ASN 45 2HB ASN 45 -2.333 7.618 9.910 354 HD21 ASN 45 1HD2 ASN 45 -3.165 6.038 11.689 355 HD22 ASN 45 2HD2 ASN 45 -4.309 6.729 12.783 356 H ARG 46 H ARG 46 -3.641 7.179 6.743 357 HA ARG 46 HA ARG 46 -1.094 8.211 5.782 358 HB2 ARG 46 1HB ARG 46 -2.805 5.856 5.006 359 HB3 ARG 46 2HB ARG 46 -1.410 6.349 4.055 360 HG2 ARG 46 1HG ARG 46 -1.220 5.732 6.986 361 HG3 ARG 46 2HG ARG 46 -1.050 4.496 5.738 362 HD2 ARG 46 1HD ARG 46 0.960 5.298 5.024 363 HD3 ARG 46 2HD ARG 46 0.570 6.963 5.453 364 HE ARG 46 HE ARG 46 0.785 5.776 7.858 365 HH11 ARG 46 1HH1 ARG 46 2.848 5.809 5.054 366 HH12 ARG 46 2HH1 ARG 46 4.311 5.638 5.966 367 HH21 ARG 46 1HH2 ARG 46 2.704 5.550 9.071 368 HH22 ARG 46 2HH2 ARG 46 4.228 5.490 8.251 369 H THR 47 H THR 47 -0.776 8.988 3.657 370 HA THR 47 HA THR 47 -3.189 10.201 2.492 371 HB THR 47 HB THR 47 -1.692 11.929 3.091 372 HG1 THR 47 1HG THR 47 -0.748 11.946 0.544 373 HG21 THR 47 3HG2 THR 47 0.453 10.223 1.838 374 HG22 THR 47 1HG2 THR 47 0.328 10.747 3.517 375 HG23 THR 47 2HG2 THR 47 0.691 11.921 2.251 376 H ALA 48 H ALA 48 -3.155 10.496 0.109 377 HA ALA 48 HA ALA 48 -3.207 8.234 -1.331 378 HB1 ALA 48 3HB ALA 48 -2.354 10.960 -2.283 379 HB2 ALA 48 1HB ALA 48 -2.713 9.614 -3.365 380 HB3 ALA 48 2HB ALA 48 -3.973 10.261 -2.314 381 H LYS 49 H LYS 49 -0.317 10.290 -1.022 382 HA LYS 49 HA LYS 49 1.424 8.823 -2.599 383 HB2 LYS 49 1HB LYS 49 1.738 10.687 -0.305 384 HB3 LYS 49 2HB LYS 49 3.135 9.711 -0.741 385 HG2 LYS 49 1HG LYS 49 1.731 11.136 -2.926 386 HG3 LYS 49 2HG LYS 49 2.683 12.100 -1.794 387 HD2 LYS 49 1HD LYS 49 4.313 11.604 -3.310 388 HD3 LYS 49 2HD LYS 49 4.469 10.193 -2.261 389 HE2 LYS 49 1HE LYS 49 4.450 9.541 -4.610 390 HE3 LYS 49 2HE LYS 49 3.034 8.912 -3.769 391 HZ1 LYS 49 3HZ LYS 49 2.405 11.434 -4.820 392 HZ2 LYS 49 1HZ LYS 49 1.749 9.930 -5.234 393 HZ3 LYS 49 2HZ LYS 49 3.108 10.515 -6.053 394 H GLN 50 H GLN 50 1.470 8.704 0.964 395 HA GLN 50 HA GLN 50 3.033 6.546 1.381 396 HB2 GLN 50 1HB GLN 50 0.443 6.996 2.869 397 HB3 GLN 50 2HB GLN 50 1.869 6.157 3.465 398 HG2 GLN 50 1HG GLN 50 1.342 9.055 3.194 399 HG3 GLN 50 2HG GLN 50 2.174 8.165 4.469 400 HE21 GLN 50 1HE2 GLN 50 2.546 10.195 1.856 401 HE22 GLN 50 2HE2 GLN 50 4.244 10.004 1.606 402 H VAL 51 H VAL 51 -0.367 6.461 0.432 403 HA VAL 51 HA VAL 51 -0.674 3.649 0.619 404 HB VAL 51 HB VAL 51 -2.215 5.648 -1.042 405 HG11 VAL 51 1HG1 VAL 51 -3.585 3.208 -0.230 406 HG12 VAL 51 2HG1 VAL 51 -3.528 4.007 -1.803 407 HG13 VAL 51 3HG1 VAL 51 -2.231 2.913 -1.320 408 HG21 VAL 51 3HG2 VAL 51 -2.075 5.486 1.679 409 HG22 VAL 51 1HG2 VAL 51 -3.442 6.134 0.771 410 HG23 VAL 51 2HG2 VAL 51 -3.465 4.459 1.325 411 H ALA 52 H ALA 52 0.253 5.817 -2.010 412 HA ALA 52 HA ALA 52 0.196 3.989 -4.120 413 HB1 ALA 52 3HB ALA 52 1.706 6.517 -3.617 414 HB2 ALA 52 1HB ALA 52 2.067 5.542 -5.042 415 HB3 ALA 52 2HB ALA 52 0.441 6.181 -4.799 416 H SER 53 H SER 53 3.024 5.011 -2.194 417 HA SER 53 HA SER 53 4.802 3.132 -3.285 418 HB2 SER 53 1HB SER 53 4.886 4.438 -0.553 419 HB3 SER 53 2HB SER 53 6.241 3.646 -1.358 420 HG SER 53 HG SER 53 6.595 5.493 -2.273 421 H GLN 54 H GLN 54 2.636 2.975 -0.511 422 HA GLN 54 HA GLN 54 3.577 0.574 0.595 423 HB2 GLN 54 1HB GLN 54 2.040 2.123 1.754 424 HB3 GLN 54 2HB GLN 54 0.760 1.672 0.635 425 HG2 GLN 54 1HG GLN 54 0.504 0.517 2.745 426 HG3 GLN 54 2HG GLN 54 0.851 -0.625 1.447 427 HE21 GLN 54 1HE2 GLN 54 1.514 0.074 4.552 428 HE22 GLN 54 2HE2 GLN 54 3.074 -0.654 4.704 429 H VAL 55 H VAL 55 0.984 1.178 -1.758 430 HA VAL 55 HA VAL 55 0.108 -1.446 -2.077 431 HB VAL 55 HB VAL 55 0.196 0.761 -4.139 432 HG11 VAL 55 1HG1 VAL 55 -0.340 -0.903 -5.550 433 HG12 VAL 55 2HG1 VAL 55 -0.776 -2.007 -4.244 434 HG13 VAL 55 3HG1 VAL 55 -1.931 -0.793 -4.797 435 HG21 VAL 55 3HG2 VAL 55 -2.410 0.234 -3.144 436 HG22 VAL 55 1HG2 VAL 55 -1.329 0.439 -1.766 437 HG23 VAL 55 2HG2 VAL 55 -1.451 1.705 -2.987 438 H GLN 56 H GLN 56 2.826 0.244 -3.532 439 HA GLN 56 HA GLN 56 3.465 -1.573 -5.552 440 HB2 GLN 56 1HB GLN 56 5.001 0.457 -3.995 441 HB3 GLN 56 2HB GLN 56 5.895 -0.683 -4.991 442 HG2 GLN 56 1HG GLN 56 4.829 0.068 -6.967 443 HG3 GLN 56 2HG GLN 56 3.647 1.002 -6.052 444 HE21 GLN 56 1HE2 GLN 56 5.126 2.134 -8.074 445 HE22 GLN 56 2HE2 GLN 56 6.230 3.282 -7.406 446 H LYS 57 H LYS 57 4.693 -1.405 -2.214 447 HA LYS 57 HA LYS 57 6.134 -3.879 -2.481 448 HB2 LYS 57 1HB LYS 57 5.522 -2.147 -0.081 449 HB3 LYS 57 2HB LYS 57 6.531 -3.587 -0.023 450 HG2 LYS 57 1HG LYS 57 8.242 -2.600 -1.216 451 HG3 LYS 57 2HG LYS 57 7.178 -1.393 -1.943 452 HD2 LYS 57 1HD LYS 57 8.390 -0.172 -0.371 453 HD3 LYS 57 2HD LYS 57 6.876 -0.525 0.464 454 HE2 LYS 57 1HE LYS 57 7.914 -2.352 1.655 455 HE3 LYS 57 2HE LYS 57 9.410 -2.136 0.746 456 HZ1 LYS 57 3HZ LYS 57 8.461 0.217 2.144 457 HZ2 LYS 57 1HZ LYS 57 10.027 -0.408 2.012 458 HZ3 LYS 57 2HZ LYS 57 8.951 -1.058 3.143 459 H TYR 58 H TYR 58 3.005 -3.475 -2.542 460 HA TYR 58 HA TYR 58 2.348 -5.595 -0.616 461 HB2 TYR 58 1HB TYR 58 0.822 -3.333 -1.800 462 HB3 TYR 58 2HB TYR 58 -0.070 -4.808 -1.445 463 HD1 TYR 58 1HD TYR 58 2.796 -3.497 0.498 464 HD2 TYR 58 2HD TYR 58 -1.421 -4.036 0.337 465 HE1 TYR 58 1HE TYR 58 2.626 -2.820 2.857 466 HE2 TYR 58 2HE TYR 58 -1.603 -3.359 2.695 467 HH TYR 58 HH TYR 58 1.084 -2.026 4.438 468 H PHE 59 H PHE 59 2.291 -4.737 -4.006 469 HA PHE 59 HA PHE 59 1.213 -7.400 -4.647 470 HB2 PHE 59 1HB PHE 59 1.257 -4.870 -6.304 471 HB3 PHE 59 2HB PHE 59 0.685 -6.431 -6.883 472 HD1 PHE 59 2HD PHE 59 0.150 -4.312 -3.853 473 HD2 PHE 59 1HD PHE 59 -1.589 -6.619 -6.978 474 HE1 PHE 59 2HE PHE 59 -2.091 -3.811 -2.970 475 HE2 PHE 59 1HE PHE 59 -3.833 -6.121 -6.101 476 HZ PHE 59 HZ PHE 59 -4.086 -4.717 -4.094 477 H ILE 60 H ILE 60 3.768 -5.086 -5.383 478 HA ILE 60 HA ILE 60 5.070 -6.675 -7.342 479 HB ILE 60 HB ILE 60 6.265 -4.516 -5.601 480 HG12 ILE 60 1HG1 ILE 60 5.146 -4.251 -8.395 481 HG13 ILE 60 2HG1 ILE 60 4.228 -3.858 -6.946 482 HG21 ILE 60 1HG2 ILE 60 8.045 -5.687 -6.581 483 HG22 ILE 60 2HG2 ILE 60 7.188 -5.881 -8.109 484 HG23 ILE 60 3HG2 ILE 60 7.791 -4.294 -7.632 485 HD11 ILE 60 3HD1 ILE 60 5.853 -2.150 -6.365 486 HD12 ILE 60 1HD1 ILE 60 6.808 -2.560 -7.790 487 HD13 ILE 60 2HD1 ILE 60 5.193 -1.875 -7.977 488 H LYS 61 H LYS 61 5.190 -6.549 -3.861 489 HA LYS 61 HA LYS 61 7.633 -7.953 -3.521 490 HB2 LYS 61 1HB LYS 61 6.544 -6.573 -1.758 491 HB3 LYS 61 2HB LYS 61 5.283 -7.791 -1.624 492 HG2 LYS 61 1HG LYS 61 6.797 -9.398 -0.773 493 HG3 LYS 61 2HG LYS 61 8.193 -8.398 -1.184 494 HD2 LYS 61 1HD LYS 61 7.395 -6.703 0.441 495 HD3 LYS 61 2HD LYS 61 6.094 -7.803 0.901 496 HE2 LYS 61 1HE LYS 61 7.731 -8.184 2.513 497 HE3 LYS 61 2HE LYS 61 7.971 -9.497 1.362 498 HZ1 LYS 61 3HZ LYS 61 9.625 -7.100 1.802 499 HZ2 LYS 61 1HZ LYS 61 9.661 -7.891 0.307 500 HZ3 LYS 61 2HZ LYS 61 10.099 -8.721 1.713 501 H LEU 62 H LEU 62 4.289 -8.946 -3.915 502 HA LEU 62 HA LEU 62 4.927 -11.734 -3.410 503 HB2 LEU 62 1HB LEU 62 2.529 -12.107 -3.894 504 HB3 LEU 62 2HB LEU 62 2.821 -10.960 -2.589 505 HG LEU 62 HG LEU 62 2.439 -9.129 -4.309 506 HD11 LEU 62 1HD1 LEU 62 0.907 -9.955 -6.190 507 HD12 LEU 62 2HD1 LEU 62 1.613 -11.542 -5.886 508 HD13 LEU 62 3HD1 LEU 62 2.645 -10.197 -6.372 509 HD21 LEU 62 3HD2 LEU 62 -0.086 -10.638 -4.127 510 HD22 LEU 62 1HD2 LEU 62 0.298 -8.993 -3.618 511 HD23 LEU 62 2HD2 LEU 62 0.757 -10.360 -2.602 512 H THR 63 H THR 63 6.248 -10.439 -5.622 513 HA THR 63 HA THR 63 4.973 -11.469 -8.019 514 HB THR 63 HB THR 63 6.234 -9.282 -7.976 515 HG1 THR 63 1HG THR 63 7.360 -11.095 -9.844 516 HG21 THR 63 3HG2 THR 63 8.298 -9.269 -7.135 517 HG22 THR 63 1HG2 THR 63 8.822 -10.216 -8.526 518 HG23 THR 63 2HG2 THR 63 8.321 -11.029 -7.044 519 H LYS 64 H LYS 64 6.382 -12.724 -9.579 520 HA LYS 64 HA LYS 64 6.909 -15.239 -8.732 521 HB2 LYS 64 1HB LYS 64 8.336 -13.696 -10.902 522 HB3 LYS 64 2HB LYS 64 8.490 -15.434 -10.680 523 HG2 LYS 64 1HG LYS 64 6.340 -15.853 -11.385 524 HG3 LYS 64 2HG LYS 64 5.779 -14.228 -10.984 525 HD2 LYS 64 1HD LYS 64 5.869 -14.141 -13.290 526 HD3 LYS 64 2HD LYS 64 7.449 -13.492 -12.845 527 HE2 LYS 64 1HE LYS 64 7.970 -15.021 -14.509 528 HE3 LYS 64 2HE LYS 64 8.247 -15.942 -13.032 529 HZ1 LYS 64 3HZ LYS 64 6.367 -17.200 -13.358 530 HZ2 LYS 64 1HZ LYS 64 6.891 -16.983 -14.952 531 HZ3 LYS 64 2HZ LYS 64 5.617 -16.050 -14.346 532 H ALA 65 H ALA 65 8.954 -16.434 -8.464 533 HA ALA 65 HA ALA 65 10.413 -15.707 -6.292 534 HB1 ALA 65 3HB ALA 65 11.948 -17.148 -8.368 535 HB2 ALA 65 1HB ALA 65 11.680 -17.546 -6.671 536 HB3 ALA 65 2HB ALA 65 10.420 -17.869 -7.863 537 H GLY 66 H GLY 66 12.579 -14.923 -5.973 538 HA2 GLY 66 1HA GLY 66 14.569 -13.882 -6.939 539 HA3 GLY 66 2HA GLY 66 13.515 -13.139 -8.133 540 H ILE 67 H ILE 67 13.149 -13.377 -4.610 541 HA ILE 67 HA ILE 67 13.139 -10.431 -4.518 542 HB ILE 67 HB ILE 67 11.608 -12.325 -2.732 543 HG12 ILE 67 1HG1 ILE 67 10.588 -12.286 -4.911 544 HG13 ILE 67 2HG1 ILE 67 9.611 -11.289 -3.839 545 HG21 ILE 67 1HG2 ILE 67 10.710 -10.442 -1.645 546 HG22 ILE 67 2HG2 ILE 67 12.443 -10.137 -1.749 547 HG23 ILE 67 3HG2 ILE 67 11.339 -9.336 -2.866 548 HD11 ILE 67 3HD1 ILE 67 10.692 -9.285 -4.761 549 HD12 ILE 67 1HD1 ILE 67 11.600 -10.310 -5.872 550 HD13 ILE 67 2HD1 ILE 67 9.842 -10.226 -5.987 551 HA PRO 68 HA PRO 68 16.574 -10.752 -1.765 552 HB2 PRO 68 1HB PRO 68 16.448 -8.255 -0.707 553 HB3 PRO 68 2HB PRO 68 17.035 -8.577 -2.343 554 HG2 PRO 68 1HG PRO 68 14.339 -7.630 -1.448 555 HG3 PRO 68 2HG PRO 68 15.324 -7.073 -2.813 556 HD2 PRO 68 1HD PRO 68 13.245 -8.780 -3.119 557 HD3 PRO 68 2HD PRO 68 14.685 -8.832 -4.157 558 H VAL 69 H VAL 69 17.082 -10.754 0.493 559 HA VAL 69 HA VAL 69 14.701 -10.971 2.219 560 HB VAL 69 HB VAL 69 17.341 -12.410 2.517 561 HG11 VAL 69 1HG1 VAL 69 15.678 -13.745 4.121 562 HG12 VAL 69 2HG1 VAL 69 16.640 -12.374 4.676 563 HG13 VAL 69 3HG1 VAL 69 14.946 -12.145 4.238 564 HG21 VAL 69 3HG2 VAL 69 16.157 -13.322 0.646 565 HG22 VAL 69 1HG2 VAL 69 15.973 -14.434 2.003 566 HG23 VAL 69 2HG2 VAL 69 14.647 -13.362 1.556 567 H SER 70 H SER 70 18.218 -10.435 2.523 568 HA SER 70 HA SER 70 19.390 -9.240 4.102 569 HB2 SER 70 1HB SER 70 18.715 -7.600 2.302 570 HB3 SER 70 2HB SER 70 17.395 -7.094 3.355 571 HG SER 70 HG SER 70 19.951 -7.157 4.456 572 H GLY 71 H GLY 71 17.652 -10.827 5.456 573 HA2 GLY 71 1HA GLY 71 17.337 -9.418 7.905 574 HA3 GLY 71 2HA GLY 71 15.778 -9.655 7.129 575 HA PRO 72 HA PRO 72 17.513 -13.558 9.374 576 HB2 PRO 72 1HB PRO 72 16.684 -13.142 11.926 577 HB3 PRO 72 2HB PRO 72 18.285 -12.667 11.346 578 HG2 PRO 72 1HG PRO 72 15.828 -10.996 11.705 579 HG3 PRO 72 2HG PRO 72 17.509 -10.616 12.121 580 HD2 PRO 72 1HD PRO 72 16.313 -9.673 9.883 581 HD3 PRO 72 2HD PRO 72 18.047 -10.044 9.954 582 H SER 73 H SER 73 16.185 -15.300 10.078 583 HA SER 73 HA SER 73 13.318 -14.829 9.614 584 HB2 SER 73 1HB SER 73 14.650 -16.421 8.101 585 HB3 SER 73 2HB SER 73 14.686 -17.513 9.485 586 HG SER 73 HG SER 73 12.296 -16.422 8.422 587 H SER 74 H SER 74 11.822 -16.257 10.821 588 HA SER 74 HA SER 74 12.849 -16.961 13.487 589 HB2 SER 74 1HB SER 74 10.301 -15.451 12.861 590 HB3 SER 74 2HB SER 74 10.712 -16.095 14.451 591 HG SER 74 HG SER 74 12.755 -14.787 14.065 592 H GLY 75 H GLY 75 9.879 -17.188 11.513 593 HA2 GLY 75 1HA GLY 75 8.697 -19.071 10.864 594 HA3 GLY 75 2HA GLY 75 9.939 -20.065 11.611 Start of MODEL 18 1 H1 GLY 1 H GLY 1 21.727 -11.174 -1.110 2 HA2 GLY 1 1HA GLY 1 22.281 -9.067 -0.381 3 HA3 GLY 1 2HA GLY 1 20.842 -8.492 -1.211 4 H SER 2 H SER 2 22.228 -9.418 1.812 5 HA SER 2 HA SER 2 19.689 -8.802 3.173 6 HB2 SER 2 1HB SER 2 20.656 -10.029 5.120 7 HB3 SER 2 2HB SER 2 20.455 -11.044 3.691 8 HG SER 2 HG SER 2 22.511 -11.297 4.724 9 H SER 3 H SER 3 19.611 -6.817 3.966 10 HA SER 3 HA SER 3 21.957 -5.740 5.346 11 HB2 SER 3 1HB SER 3 21.652 -4.902 2.877 12 HB3 SER 3 2HB SER 3 20.379 -3.903 3.578 13 HG SER 3 HG SER 3 21.886 -2.631 4.269 14 H GLY 4 H GLY 4 21.350 -3.684 6.564 15 HA2 GLY 4 1HA GLY 4 18.983 -4.268 8.113 16 HA3 GLY 4 2HA GLY 4 20.156 -3.000 8.434 17 H SER 5 H SER 5 17.326 -2.730 8.610 18 HA SER 5 HA SER 5 16.946 -0.620 6.604 19 HB2 SER 5 1HB SER 5 14.614 -1.263 6.282 20 HB3 SER 5 2HB SER 5 15.669 -2.620 5.886 21 HG SER 5 HG SER 5 15.158 -3.559 7.848 22 H SER 6 H SER 6 16.279 1.257 7.439 23 HA SER 6 HA SER 6 14.918 1.277 10.033 24 HB2 SER 6 1HB SER 6 17.335 1.602 10.476 25 HB3 SER 6 2HB SER 6 17.328 2.999 9.400 26 HG SER 6 HG SER 6 15.467 3.624 10.950 27 H GLY 7 H GLY 7 13.095 2.373 9.777 28 HA2 GLY 7 1HA GLY 7 13.146 4.802 8.105 29 HA3 GLY 7 2HA GLY 7 11.862 3.617 7.921 30 H ASN 8 H ASN 8 11.071 6.104 8.428 31 HA ASN 8 HA ASN 8 10.387 6.094 11.295 32 HB2 ASN 8 1HB ASN 8 10.503 8.505 9.473 33 HB3 ASN 8 2HB ASN 8 10.217 8.509 11.210 34 HD21 ASN 8 1HD2 ASN 8 12.066 6.981 12.274 35 HD22 ASN 8 2HD2 ASN 8 13.659 7.530 11.895 36 H GLN 9 H GLN 9 8.261 6.556 11.890 37 HA GLN 9 HA GLN 9 5.995 6.445 11.719 38 HB2 GLN 9 1HB GLN 9 6.816 8.089 9.380 39 HB3 GLN 9 2HB GLN 9 5.157 7.506 9.417 40 HG2 GLN 9 1HG GLN 9 5.148 9.659 10.380 41 HG3 GLN 9 2HG GLN 9 4.956 8.510 11.703 42 HE21 GLN 9 1HE2 GLN 9 6.673 11.145 10.558 43 HE22 GLN 9 2HE2 GLN 9 7.969 11.129 11.700 44 H LEU 10 H LEU 10 7.225 4.093 11.115 45 HA LEU 10 HA LEU 10 6.558 2.967 8.624 46 HB2 LEU 10 1HB LEU 10 7.350 1.932 11.288 47 HB3 LEU 10 2HB LEU 10 6.604 0.796 10.166 48 HG LEU 10 HG LEU 10 9.035 0.670 10.072 49 HD11 LEU 10 1HD1 LEU 10 7.332 0.767 7.957 50 HD12 LEU 10 2HD1 LEU 10 9.033 0.315 7.861 51 HD13 LEU 10 3HD1 LEU 10 8.538 1.967 7.493 52 HD21 LEU 10 3HD2 LEU 10 10.298 2.484 10.245 53 HD22 LEU 10 1HD2 LEU 10 8.854 3.497 10.231 54 HD23 LEU 10 2HD2 LEU 10 9.657 3.087 8.715 55 H TRP 11 H TRP 11 4.951 1.308 8.189 56 HA TRP 11 HA TRP 11 2.346 2.131 8.880 57 HB2 TRP 11 1HB TRP 11 3.457 -0.285 7.477 58 HB3 TRP 11 2HB TRP 11 1.736 -0.160 7.830 59 HD1 TRP 11 HD TRP 11 4.464 1.876 5.965 60 HE1 TRP 11 1HE TRP 11 3.343 3.059 3.973 61 HE3 TRP 11 3HE TRP 11 -0.379 0.473 6.810 62 HZ2 TRP 11 2HZ TRP 11 0.748 3.359 2.902 63 HZ3 TRP 11 3HZ TRP 11 -2.120 1.251 5.255 64 HH2 TRP 11 HH TRP 11 -1.566 2.664 3.343 65 H THR 12 H THR 12 0.786 1.207 10.201 66 HA THR 12 HA THR 12 1.838 -0.601 12.277 67 HB THR 12 HB THR 12 1.208 1.575 13.178 68 HG1 THR 12 1HG THR 12 -0.391 -0.668 13.819 69 HG21 THR 12 3HG2 THR 12 -1.518 0.977 12.025 70 HG22 THR 12 1HG2 THR 12 -0.424 2.264 11.518 71 HG23 THR 12 2HG2 THR 12 -1.153 2.306 13.124 72 H VAL 13 H VAL 13 0.624 -2.358 12.945 73 HA VAL 13 HA VAL 13 -0.688 -3.926 11.218 74 HB VAL 13 HB VAL 13 -0.162 -4.590 13.536 75 HG11 VAL 13 1HG1 VAL 13 -1.294 -3.862 15.390 76 HG12 VAL 13 2HG1 VAL 13 -1.352 -2.406 14.395 77 HG13 VAL 13 3HG1 VAL 13 -2.754 -3.473 14.483 78 HG21 VAL 13 3HG2 VAL 13 -2.058 -6.077 13.852 79 HG22 VAL 13 1HG2 VAL 13 -3.043 -5.078 12.783 80 HG23 VAL 13 2HG2 VAL 13 -1.657 -5.957 12.139 81 H GLU 14 H GLU 14 -2.134 -1.244 12.984 82 HA GLU 14 HA GLU 14 -4.819 -1.703 12.401 83 HB2 GLU 14 1HB GLU 14 -3.195 0.694 13.090 84 HB3 GLU 14 2HB GLU 14 -4.807 0.964 12.442 85 HG2 GLU 14 1HG GLU 14 -4.175 -0.735 14.844 86 HG3 GLU 14 2HG GLU 14 -4.747 0.932 14.899 87 H GLU 15 H GLU 15 -2.386 0.121 10.567 88 HA GLU 15 HA GLU 15 -4.230 0.684 8.425 89 HB2 GLU 15 1HB GLU 15 -1.244 1.095 8.652 90 HB3 GLU 15 2HB GLU 15 -2.225 1.645 7.301 91 HG2 GLU 15 1HG GLU 15 -2.549 2.520 10.163 92 HG3 GLU 15 2HG GLU 15 -1.742 3.438 8.892 93 H GLN 16 H GLN 16 -1.570 -1.549 9.023 94 HA GLN 16 HA GLN 16 -1.193 -2.578 6.482 95 HB2 GLN 16 1HB GLN 16 -0.863 -3.682 9.235 96 HB3 GLN 16 2HB GLN 16 -0.730 -4.782 7.870 97 HG2 GLN 16 1HG GLN 16 0.954 -3.099 6.927 98 HG3 GLN 16 2HG GLN 16 0.988 -2.429 8.557 99 HE21 GLN 16 1HE2 GLN 16 2.916 -3.019 9.308 100 HE22 GLN 16 2HE2 GLN 16 3.505 -4.641 9.380 101 H LYS 17 H LYS 17 -3.558 -3.547 8.938 102 HA LYS 17 HA LYS 17 -4.711 -5.580 7.263 103 HB2 LYS 17 1HB LYS 17 -6.388 -5.785 9.055 104 HB3 LYS 17 2HB LYS 17 -4.746 -5.843 9.682 105 HG2 LYS 17 1HG LYS 17 -5.163 -3.247 9.988 106 HG3 LYS 17 2HG LYS 17 -6.845 -3.781 10.037 107 HD2 LYS 17 1HD LYS 17 -4.754 -5.132 11.706 108 HD3 LYS 17 2HD LYS 17 -5.517 -3.637 12.250 109 HE2 LYS 17 1HE LYS 17 -7.661 -4.635 12.283 110 HE3 LYS 17 2HE LYS 17 -7.101 -6.042 11.380 111 HZ1 LYS 17 3HZ LYS 17 -5.759 -6.688 13.275 112 HZ2 LYS 17 1HZ LYS 17 -7.380 -6.534 13.733 113 HZ3 LYS 17 2HZ LYS 17 -6.268 -5.327 14.140 114 H LYS 18 H LYS 18 -5.707 -2.359 8.386 115 HA LYS 18 HA LYS 18 -8.202 -2.222 7.192 116 HB2 LYS 18 1HB LYS 18 -7.007 -0.543 8.751 117 HB3 LYS 18 2HB LYS 18 -6.349 0.146 7.272 118 HG2 LYS 18 1HG LYS 18 -8.428 0.858 6.527 119 HG3 LYS 18 2HG LYS 18 -9.297 -0.256 7.585 120 HD2 LYS 18 1HD LYS 18 -8.847 1.048 9.497 121 HD3 LYS 18 2HD LYS 18 -7.607 1.987 8.662 122 HE2 LYS 18 1HE LYS 18 -9.338 2.956 7.214 123 HE3 LYS 18 2HE LYS 18 -10.567 2.036 8.080 124 HZ1 LYS 18 3HZ LYS 18 -10.528 4.229 8.960 125 HZ2 LYS 18 1HZ LYS 18 -8.849 4.195 9.170 126 HZ3 LYS 18 2HZ LYS 18 -9.841 3.214 10.126 127 H LEU 19 H LEU 19 -5.154 -0.950 5.837 128 HA LEU 19 HA LEU 19 -6.028 -0.154 3.374 129 HB2 LEU 19 1HB LEU 19 -3.797 0.296 3.922 130 HB3 LEU 19 2HB LEU 19 -3.444 -1.400 4.247 131 HG LEU 19 HG LEU 19 -3.612 -1.862 1.824 132 HD11 LEU 19 1HD1 LEU 19 -3.954 1.125 1.645 133 HD12 LEU 19 2HD1 LEU 19 -5.092 -0.115 1.119 134 HD13 LEU 19 3HD1 LEU 19 -3.554 0.084 0.279 135 HD21 LEU 19 3HD2 LEU 19 -1.550 -0.379 1.229 136 HD22 LEU 19 1HD2 LEU 19 -1.417 -1.617 2.478 137 HD23 LEU 19 2HD2 LEU 19 -1.627 0.074 2.932 138 H GLU 20 H GLU 20 -4.804 -3.409 4.167 139 HA GLU 20 HA GLU 20 -5.025 -4.698 1.803 140 HB2 GLU 20 1HB GLU 20 -5.558 -5.560 4.607 141 HB3 GLU 20 2HB GLU 20 -5.987 -6.663 3.307 142 HG2 GLU 20 1HG GLU 20 -3.784 -6.912 2.619 143 HG3 GLU 20 2HG GLU 20 -3.262 -5.441 3.437 144 H GLN 21 H GLN 21 -7.712 -3.996 4.005 145 HA GLN 21 HA GLN 21 -9.702 -5.282 2.458 146 HB2 GLN 21 1HB GLN 21 -9.718 -3.284 4.684 147 HB3 GLN 21 2HB GLN 21 -11.207 -3.597 3.803 148 HG2 GLN 21 1HG GLN 21 -9.553 -5.704 5.173 149 HG3 GLN 21 2HG GLN 21 -10.979 -4.931 5.865 150 HE21 GLN 21 1HE2 GLN 21 -10.040 -7.686 4.587 151 HE22 GLN 21 2HE2 GLN 21 -11.470 -8.181 3.754 152 H LEU 22 H LEU 22 -8.590 -1.923 2.628 153 HA LEU 22 HA LEU 22 -10.488 -0.839 0.859 154 HB2 LEU 22 1HB LEU 22 -7.728 0.013 1.675 155 HB3 LEU 22 2HB LEU 22 -8.682 0.940 0.519 156 HG LEU 22 HG LEU 22 -9.889 0.307 3.167 157 HD11 LEU 22 1HD1 LEU 22 -8.356 1.376 4.354 158 HD12 LEU 22 2HD1 LEU 22 -8.598 2.815 3.365 159 HD13 LEU 22 3HD1 LEU 22 -7.382 1.625 2.905 160 HD21 LEU 22 3HD2 LEU 22 -10.726 2.678 2.772 161 HD22 LEU 22 1HD2 LEU 22 -11.321 1.428 1.678 162 HD23 LEU 22 2HD2 LEU 22 -10.048 2.529 1.150 163 H LEU 23 H LEU 23 -7.103 -1.786 0.253 164 HA LEU 23 HA LEU 23 -6.790 -1.291 -2.367 165 HB2 LEU 23 1HB LEU 23 -5.917 -3.541 -0.645 166 HB3 LEU 23 2HB LEU 23 -5.685 -3.714 -2.383 167 HG LEU 23 HG LEU 23 -4.625 -1.378 -0.805 168 HD11 LEU 23 1HD1 LEU 23 -3.375 -3.019 0.167 169 HD12 LEU 23 2HD1 LEU 23 -2.418 -2.740 -1.287 170 HD13 LEU 23 3HD1 LEU 23 -3.527 -4.109 -1.211 171 HD21 LEU 23 3HD2 LEU 23 -4.293 -0.603 -2.871 172 HD22 LEU 23 1HD2 LEU 23 -4.661 -2.163 -3.607 173 HD23 LEU 23 2HD2 LEU 23 -3.036 -1.833 -3.006 174 H ILE 24 H ILE 24 -8.502 -4.123 -1.076 175 HA ILE 24 HA ILE 24 -9.209 -5.152 -3.635 176 HB ILE 24 HB ILE 24 -10.467 -5.711 -0.946 177 HG12 ILE 24 1HG1 ILE 24 -8.495 -7.458 -2.402 178 HG13 ILE 24 2HG1 ILE 24 -7.953 -6.183 -1.317 179 HG21 ILE 24 1HG2 ILE 24 -11.153 -6.548 -3.611 180 HG22 ILE 24 2HG2 ILE 24 -10.693 -7.934 -2.625 181 HG23 ILE 24 3HG2 ILE 24 -11.986 -6.861 -2.089 182 HD11 ILE 24 3HD1 ILE 24 -8.675 -7.274 0.546 183 HD12 ILE 24 1HD1 ILE 24 -9.959 -8.124 -0.311 184 HD13 ILE 24 2HD1 ILE 24 -8.285 -8.650 -0.485 185 H LYS 25 H LYS 25 -11.039 -3.386 -1.145 186 HA LYS 25 HA LYS 25 -13.505 -3.261 -2.351 187 HB2 LYS 25 1HB LYS 25 -13.100 -2.404 -0.109 188 HB3 LYS 25 2HB LYS 25 -12.105 -1.106 -0.757 189 HG2 LYS 25 1HG LYS 25 -14.279 -0.510 -2.085 190 HG3 LYS 25 2HG LYS 25 -15.064 -1.432 -0.800 191 HD2 LYS 25 1HD LYS 25 -13.856 0.018 0.851 192 HD3 LYS 25 2HD LYS 25 -13.320 1.010 -0.507 193 HE2 LYS 25 1HE LYS 25 -15.235 2.083 0.351 194 HE3 LYS 25 2HE LYS 25 -15.769 1.255 -1.111 195 HZ1 LYS 25 3HZ LYS 25 -16.128 0.270 1.669 196 HZ2 LYS 25 1HZ LYS 25 -16.628 -0.538 0.269 197 HZ3 LYS 25 2HZ LYS 25 -17.336 0.938 0.691 198 H TYR 26 H TYR 26 -10.712 -1.151 -2.906 199 HA TYR 26 HA TYR 26 -12.153 0.160 -5.096 200 HB2 TYR 26 1HB TYR 26 -9.642 0.864 -3.584 201 HB3 TYR 26 2HB TYR 26 -10.096 1.683 -5.075 202 HD1 TYR 26 1HD TYR 26 -12.188 3.027 -5.154 203 HD2 TYR 26 2HD TYR 26 -10.721 1.366 -1.521 204 HE1 TYR 26 1HE TYR 26 -13.627 4.561 -3.879 205 HE2 TYR 26 2HE TYR 26 -12.157 2.895 -0.236 206 HH TYR 26 HH TYR 26 -13.694 4.489 -0.326 207 HA PRO 27 HA PRO 27 -9.815 -2.773 -7.633 208 HB2 PRO 27 1HB PRO 27 -11.371 -2.428 -9.831 209 HB3 PRO 27 2HB PRO 27 -11.823 -3.488 -8.491 210 HG2 PRO 27 1HG PRO 27 -12.717 -0.693 -9.080 211 HG3 PRO 27 2HG PRO 27 -13.676 -2.084 -8.540 212 HD2 PRO 27 1HD PRO 27 -12.853 -0.136 -6.848 213 HD3 PRO 27 2HD PRO 27 -13.040 -1.827 -6.339 214 HA PRO 28 HA PRO 28 -7.260 -0.101 -10.013 215 HB2 PRO 28 1HB PRO 28 -6.749 -1.585 -12.229 216 HB3 PRO 28 2HB PRO 28 -6.060 -1.956 -10.644 217 HG2 PRO 28 1HG PRO 28 -8.423 -3.180 -12.016 218 HG3 PRO 28 2HG PRO 28 -7.123 -3.972 -11.106 219 HD2 PRO 28 1HD PRO 28 -9.564 -3.490 -10.038 220 HD3 PRO 28 2HD PRO 28 -8.078 -3.478 -9.067 221 H GLU 29 H GLU 29 -7.812 1.685 -11.079 222 HA GLU 29 HA GLU 29 -9.747 1.464 -13.291 223 HB2 GLU 29 1HB GLU 29 -10.406 3.812 -12.729 224 HB3 GLU 29 2HB GLU 29 -10.812 2.630 -11.492 225 HG2 GLU 29 1HG GLU 29 -8.512 3.344 -10.478 226 HG3 GLU 29 2HG GLU 29 -8.768 4.792 -11.450 227 H GLU 30 H GLU 30 -9.530 3.097 -14.983 228 HA GLU 30 HA GLU 30 -7.225 3.174 -16.315 229 HB2 GLU 30 1HB GLU 30 -7.909 5.294 -17.358 230 HB3 GLU 30 2HB GLU 30 -9.259 4.180 -17.195 231 HG2 GLU 30 1HG GLU 30 -9.969 5.401 -15.166 232 HG3 GLU 30 2HG GLU 30 -8.672 6.560 -15.452 233 H VAL 31 H VAL 31 -8.093 5.616 -13.875 234 HA VAL 31 HA VAL 31 -5.369 6.658 -13.923 235 HB VAL 31 HB VAL 31 -7.796 7.594 -12.386 236 HG11 VAL 31 1HG1 VAL 31 -5.219 8.034 -11.670 237 HG12 VAL 31 2HG1 VAL 31 -5.509 9.403 -12.745 238 HG13 VAL 31 3HG1 VAL 31 -6.547 9.146 -11.342 239 HG21 VAL 31 3HG2 VAL 31 -6.695 9.402 -14.363 240 HG22 VAL 31 1HG2 VAL 31 -7.199 7.872 -15.080 241 HG23 VAL 31 2HG2 VAL 31 -8.351 8.834 -14.154 242 H GLU 32 H GLU 32 -3.894 6.360 -12.345 243 HA GLU 32 HA GLU 32 -4.553 4.439 -10.252 244 HB2 GLU 32 1HB GLU 32 -2.434 4.483 -11.844 245 HB3 GLU 32 2HB GLU 32 -1.806 5.549 -10.596 246 HG2 GLU 32 1HG GLU 32 -2.351 3.763 -8.927 247 HG3 GLU 32 2HG GLU 32 -2.714 2.702 -10.286 248 H SER 33 H SER 33 -3.613 7.781 -10.662 249 HA SER 33 HA SER 33 -2.839 8.400 -8.056 250 HB2 SER 33 1HB SER 33 -2.452 10.012 -9.776 251 HB3 SER 33 2HB SER 33 -4.166 10.081 -10.187 252 HG SER 33 HG SER 33 -4.541 11.334 -8.498 253 H ARG 34 H ARG 34 -6.024 9.090 -9.514 254 HA ARG 34 HA ARG 34 -7.369 9.840 -7.242 255 HB2 ARG 34 1HB ARG 34 -9.408 9.342 -8.391 256 HB3 ARG 34 2HB ARG 34 -8.248 9.900 -9.590 257 HG2 ARG 34 1HG ARG 34 -7.887 7.691 -10.389 258 HG3 ARG 34 2HG ARG 34 -8.797 6.995 -9.047 259 HD2 ARG 34 1HD ARG 34 -10.234 6.947 -10.927 260 HD3 ARG 34 2HD ARG 34 -10.800 8.264 -9.900 261 HE ARG 34 HE ARG 34 -8.959 9.063 -11.973 262 HH11 ARG 34 1HH1 ARG 34 -12.290 8.543 -11.103 263 HH12 ARG 34 2HH1 ARG 34 -12.911 9.605 -12.324 264 HH21 ARG 34 1HH2 ARG 34 -9.764 10.463 -13.584 265 HH22 ARG 34 2HH2 ARG 34 -11.473 10.696 -13.735 266 H ARG 35 H ARG 35 -6.766 6.570 -8.430 267 HA ARG 35 HA ARG 35 -8.393 5.126 -6.711 268 HB2 ARG 35 1HB ARG 35 -7.297 3.992 -8.502 269 HB3 ARG 35 2HB ARG 35 -5.708 4.459 -7.911 270 HG2 ARG 35 1HG ARG 35 -6.121 3.057 -5.894 271 HG3 ARG 35 2HG ARG 35 -7.611 2.496 -6.656 272 HD2 ARG 35 1HD ARG 35 -6.351 1.580 -8.511 273 HD3 ARG 35 2HD ARG 35 -4.852 2.221 -7.841 274 HE ARG 35 HE ARG 35 -5.905 0.614 -5.878 275 HH11 ARG 35 1HH1 ARG 35 -4.900 0.212 -9.186 276 HH12 ARG 35 2HH1 ARG 35 -4.437 -1.445 -8.981 277 HH21 ARG 35 1HH2 ARG 35 -5.300 -1.567 -5.595 278 HH22 ARG 35 2HH2 ARG 35 -4.666 -2.456 -6.938 279 H TRP 36 H TRP 36 -5.116 6.357 -6.186 280 HA TRP 36 HA TRP 36 -4.867 5.200 -3.582 281 HB2 TRP 36 1HB TRP 36 -3.267 7.504 -4.703 282 HB3 TRP 36 2HB TRP 36 -2.790 6.382 -3.431 283 HD1 TRP 36 HD TRP 36 -1.732 7.026 -6.695 284 HE1 TRP 36 1HE TRP 36 -0.976 4.925 -7.974 285 HE3 TRP 36 3HE TRP 36 -3.906 3.457 -3.750 286 HZ2 TRP 36 2HZ TRP 36 -1.264 2.125 -7.764 287 HZ3 TRP 36 3HZ TRP 36 -3.618 1.090 -4.359 288 HH2 TRP 36 HH TRP 36 -2.324 0.440 -6.325 289 H GLN 37 H GLN 37 -5.875 8.316 -4.856 290 HA GLN 37 HA GLN 37 -5.850 9.810 -2.502 291 HB2 GLN 37 1HB GLN 37 -6.283 10.596 -4.898 292 HB3 GLN 37 2HB GLN 37 -7.952 10.103 -4.639 293 HG2 GLN 37 1HG GLN 37 -7.807 12.437 -4.231 294 HG3 GLN 37 2HG GLN 37 -8.030 11.632 -2.679 295 HE21 GLN 37 1HE2 GLN 37 -6.147 11.337 -1.337 296 HE22 GLN 37 2HE2 GLN 37 -4.848 12.471 -1.426 297 H LYS 38 H LYS 38 -8.261 7.585 -3.781 298 HA LYS 38 HA LYS 38 -10.271 8.174 -1.862 299 HB2 LYS 38 1HB LYS 38 -9.808 5.800 -3.666 300 HB3 LYS 38 2HB LYS 38 -11.200 5.928 -2.599 301 HG2 LYS 38 1HG LYS 38 -11.950 7.913 -3.746 302 HG3 LYS 38 2HG LYS 38 -10.503 7.910 -4.756 303 HD2 LYS 38 1HD LYS 38 -11.352 5.462 -5.317 304 HD3 LYS 38 2HD LYS 38 -12.907 6.163 -4.863 305 HE2 LYS 38 1HE LYS 38 -12.188 8.090 -6.464 306 HE3 LYS 38 2HE LYS 38 -11.085 6.882 -7.122 307 HZ1 LYS 38 3HZ LYS 38 -13.066 6.788 -8.384 308 HZ2 LYS 38 1HZ LYS 38 -14.044 6.748 -7.004 309 HZ3 LYS 38 2HZ LYS 38 -13.075 5.418 -7.391 310 H ILE 39 H ILE 39 -8.205 5.279 -2.188 311 HA ILE 39 HA ILE 39 -8.802 4.002 0.146 312 HB ILE 39 HB ILE 39 -6.117 4.246 -1.206 313 HG12 ILE 39 1HG1 ILE 39 -7.905 1.833 -1.144 314 HG13 ILE 39 2HG1 ILE 39 -8.200 3.130 -2.296 315 HG21 ILE 39 1HG2 ILE 39 -6.933 2.330 0.975 316 HG22 ILE 39 2HG2 ILE 39 -5.405 2.313 0.096 317 HG23 ILE 39 3HG2 ILE 39 -5.801 3.670 1.150 318 HD11 ILE 39 3HD1 ILE 39 -6.912 1.436 -3.367 319 HD12 ILE 39 1HD1 ILE 39 -5.874 2.839 -3.116 320 HD13 ILE 39 2HD1 ILE 39 -5.730 1.434 -2.059 321 H ALA 40 H ALA 40 -6.364 6.557 -0.270 322 HA ALA 40 HA ALA 40 -5.500 6.615 2.409 323 HB1 ALA 40 3HB ALA 40 -5.441 9.140 0.871 324 HB2 ALA 40 1HB ALA 40 -4.163 8.331 1.778 325 HB3 ALA 40 2HB ALA 40 -4.601 7.758 0.168 326 H ASP 41 H ASP 41 -7.424 9.143 0.790 327 HA ASP 41 HA ASP 41 -8.263 10.544 2.964 328 HB2 ASP 41 1HB ASP 41 -9.448 10.012 0.293 329 HB3 ASP 41 2HB ASP 41 -10.510 10.722 1.505 330 H GLU 42 H GLU 42 -9.336 7.393 1.967 331 HA GLU 42 HA GLU 42 -11.707 7.316 3.543 332 HB2 GLU 42 1HB GLU 42 -10.034 5.253 2.150 333 HB3 GLU 42 2HB GLU 42 -11.317 4.755 3.243 334 HG2 GLU 42 1HG GLU 42 -11.661 6.504 0.819 335 HG3 GLU 42 2HG GLU 42 -12.056 4.790 0.919 336 H LEU 43 H LEU 43 -8.371 6.263 4.056 337 HA LEU 43 HA LEU 43 -8.771 4.962 6.515 338 HB2 LEU 43 1HB LEU 43 -6.371 6.292 5.289 339 HB3 LEU 43 2HB LEU 43 -6.304 5.480 6.852 340 HG LEU 43 HG LEU 43 -7.324 3.955 4.506 341 HD11 LEU 43 1HD1 LEU 43 -5.276 3.565 3.553 342 HD12 LEU 43 2HD1 LEU 43 -4.387 4.025 5.005 343 HD13 LEU 43 3HD1 LEU 43 -5.118 5.267 3.988 344 HD21 LEU 43 3HD2 LEU 43 -5.680 3.280 6.942 345 HD22 LEU 43 1HD2 LEU 43 -6.154 2.128 5.694 346 HD23 LEU 43 2HD2 LEU 43 -7.386 2.916 6.680 347 H GLY 44 H GLY 44 -7.487 8.238 5.891 348 HA2 GLY 44 1HA GLY 44 -8.496 10.085 7.175 349 HA3 GLY 44 2HA GLY 44 -8.502 9.003 8.559 350 H ASN 45 H ASN 45 -5.823 7.951 7.877 351 HA ASN 45 HA ASN 45 -4.268 10.245 8.866 352 HB2 ASN 45 1HB ASN 45 -3.521 7.330 9.121 353 HB3 ASN 45 2HB ASN 45 -2.828 8.701 9.985 354 HD21 ASN 45 1HD2 ASN 45 -3.445 8.824 12.005 355 HD22 ASN 45 2HD2 ASN 45 -4.975 8.335 12.641 356 H ARG 46 H ARG 46 -3.822 7.285 6.922 357 HA ARG 46 HA ARG 46 -1.415 8.068 5.722 358 HB2 ARG 46 1HB ARG 46 -3.563 6.123 4.909 359 HB3 ARG 46 2HB ARG 46 -2.135 6.385 3.917 360 HG2 ARG 46 1HG ARG 46 -2.007 5.579 6.810 361 HG3 ARG 46 2HG ARG 46 -2.030 4.425 5.475 362 HD2 ARG 46 1HD ARG 46 0.078 4.968 4.789 363 HD3 ARG 46 2HD ARG 46 -0.044 6.629 5.367 364 HE ARG 46 HE ARG 46 -0.006 5.256 7.662 365 HH11 ARG 46 1HH1 ARG 46 1.992 5.056 4.818 366 HH12 ARG 46 2HH1 ARG 46 3.401 4.539 5.685 367 HH21 ARG 46 1HH2 ARG 46 1.842 4.575 8.814 368 HH22 ARG 46 2HH2 ARG 46 3.314 4.265 7.958 369 H THR 47 H THR 47 -1.216 8.338 3.264 370 HA THR 47 HA THR 47 -3.317 10.109 2.223 371 HB THR 47 HB THR 47 -1.823 11.796 1.565 372 HG1 THR 47 1HG THR 47 0.352 10.112 2.317 373 HG21 THR 47 3HG2 THR 47 -1.446 12.646 3.601 374 HG22 THR 47 1HG2 THR 47 -0.298 11.371 4.007 375 HG23 THR 47 2HG2 THR 47 -2.027 11.107 4.236 376 H ALA 48 H ALA 48 -3.312 10.349 -0.093 377 HA ALA 48 HA ALA 48 -3.310 8.139 -1.598 378 HB1 ALA 48 3HB ALA 48 -3.167 10.950 -2.153 379 HB2 ALA 48 1HB ALA 48 -2.244 10.047 -3.355 380 HB3 ALA 48 2HB ALA 48 -3.944 9.666 -3.079 381 H LYS 49 H LYS 49 -0.437 10.111 -0.968 382 HA LYS 49 HA LYS 49 1.331 8.677 -2.630 383 HB2 LYS 49 1HB LYS 49 1.559 10.975 -1.309 384 HB3 LYS 49 2HB LYS 49 2.338 9.937 -0.123 385 HG2 LYS 49 1HG LYS 49 3.176 9.886 -2.996 386 HG3 LYS 49 2HG LYS 49 3.793 11.110 -1.883 387 HD2 LYS 49 1HD LYS 49 4.983 9.586 -0.652 388 HD3 LYS 49 2HD LYS 49 3.893 8.255 -1.045 389 HE2 LYS 49 1HE LYS 49 5.506 9.487 -3.226 390 HE3 LYS 49 2HE LYS 49 6.306 8.402 -2.090 391 HZ1 LYS 49 3HZ LYS 49 4.331 6.853 -2.635 392 HZ2 LYS 49 1HZ LYS 49 5.609 6.977 -3.737 393 HZ3 LYS 49 2HZ LYS 49 4.164 7.810 -4.019 394 H GLN 50 H GLN 50 1.363 8.666 0.935 395 HA GLN 50 HA GLN 50 2.945 6.574 1.469 396 HB2 GLN 50 1HB GLN 50 0.382 7.427 2.767 397 HB3 GLN 50 2HB GLN 50 1.234 6.008 3.361 398 HG2 GLN 50 1HG GLN 50 2.089 8.869 3.384 399 HG3 GLN 50 2HG GLN 50 2.020 7.711 4.711 400 HE21 GLN 50 1HE2 GLN 50 4.126 9.442 3.140 401 HE22 GLN 50 2HE2 GLN 50 5.478 8.370 3.055 402 H VAL 51 H VAL 51 -0.450 6.292 0.491 403 HA VAL 51 HA VAL 51 -0.691 3.513 0.702 404 HB VAL 51 HB VAL 51 -2.073 5.361 -1.249 405 HG11 VAL 51 1HG1 VAL 51 -2.062 2.776 -1.611 406 HG12 VAL 51 2HG1 VAL 51 -3.216 2.780 -0.276 407 HG13 VAL 51 3HG1 VAL 51 -3.569 3.682 -1.750 408 HG21 VAL 51 3HG2 VAL 51 -3.607 4.398 1.022 409 HG22 VAL 51 1HG2 VAL 51 -2.205 5.350 1.511 410 HG23 VAL 51 2HG2 VAL 51 -3.400 6.040 0.413 411 H ALA 52 H ALA 52 0.056 5.481 -2.177 412 HA ALA 52 HA ALA 52 0.383 3.512 -4.050 413 HB1 ALA 52 3HB ALA 52 1.815 5.018 -5.260 414 HB2 ALA 52 1HB ALA 52 0.537 5.948 -4.476 415 HB3 ALA 52 2HB ALA 52 2.163 5.931 -3.792 416 H SER 53 H SER 53 3.083 4.897 -2.165 417 HA SER 53 HA SER 53 5.078 3.186 -2.920 418 HB2 SER 53 1HB SER 53 6.165 3.682 -0.768 419 HB3 SER 53 2HB SER 53 5.447 5.133 -1.468 420 HG SER 53 HG SER 53 3.570 4.564 -0.076 421 H GLN 54 H GLN 54 2.894 2.724 -0.144 422 HA GLN 54 HA GLN 54 3.846 0.266 0.714 423 HB2 GLN 54 1HB GLN 54 2.148 1.724 1.870 424 HB3 GLN 54 2HB GLN 54 0.944 1.100 0.749 425 HG2 GLN 54 1HG GLN 54 1.024 0.006 3.009 426 HG3 GLN 54 2HG GLN 54 1.109 -1.078 1.621 427 HE21 GLN 54 1HE2 GLN 54 2.622 -0.010 4.467 428 HE22 GLN 54 2HE2 GLN 54 4.061 -0.958 4.342 429 H VAL 55 H VAL 55 1.080 0.847 -1.463 430 HA VAL 55 HA VAL 55 0.249 -1.617 -2.100 431 HB VAL 55 HB VAL 55 0.846 0.530 -4.141 432 HG11 VAL 55 1HG1 VAL 55 -1.361 -1.420 -4.492 433 HG12 VAL 55 2HG1 VAL 55 -0.352 -0.618 -5.698 434 HG13 VAL 55 3HG1 VAL 55 0.283 -1.988 -4.786 435 HG21 VAL 55 3HG2 VAL 55 -0.754 1.681 -3.108 436 HG22 VAL 55 1HG2 VAL 55 -1.889 0.420 -3.588 437 HG23 VAL 55 2HG2 VAL 55 -1.093 0.338 -2.016 438 H GLN 56 H GLN 56 3.052 -0.083 -3.681 439 HA GLN 56 HA GLN 56 3.797 -2.246 -5.271 440 HB2 GLN 56 1HB GLN 56 5.563 -0.132 -4.025 441 HB3 GLN 56 2HB GLN 56 6.032 -1.194 -5.346 442 HG2 GLN 56 1HG GLN 56 4.356 -0.215 -6.780 443 HG3 GLN 56 2HG GLN 56 3.769 0.786 -5.453 444 HE21 GLN 56 1HE2 GLN 56 5.040 1.327 -8.152 445 HE22 GLN 56 2HE2 GLN 56 6.296 2.460 -7.801 446 H LYS 57 H LYS 57 4.657 -1.456 -1.938 447 HA LYS 57 HA LYS 57 6.470 -3.666 -1.668 448 HB2 LYS 57 1HB LYS 57 5.397 -1.535 0.106 449 HB3 LYS 57 2HB LYS 57 5.990 -2.999 0.880 450 HG2 LYS 57 1HG LYS 57 7.716 -1.707 -1.161 451 HG3 LYS 57 2HG LYS 57 7.558 -0.928 0.415 452 HD2 LYS 57 1HD LYS 57 8.003 -3.405 1.260 453 HD3 LYS 57 2HD LYS 57 8.799 -3.530 -0.311 454 HE2 LYS 57 1HE LYS 57 10.262 -1.711 0.213 455 HE3 LYS 57 2HE LYS 57 9.367 -1.347 1.688 456 HZ1 LYS 57 3HZ LYS 57 10.044 -3.516 2.561 457 HZ2 LYS 57 1HZ LYS 57 11.380 -2.540 2.205 458 HZ3 LYS 57 2HZ LYS 57 10.954 -3.802 1.163 459 H TYR 58 H TYR 58 3.348 -3.789 -2.201 460 HA TYR 58 HA TYR 58 2.839 -5.933 -0.245 461 HB2 TYR 58 1HB TYR 58 1.072 -3.849 -1.436 462 HB3 TYR 58 2HB TYR 58 0.366 -5.422 -1.081 463 HD1 TYR 58 1HD TYR 58 3.085 -4.076 0.969 464 HD2 TYR 58 2HD TYR 58 -1.132 -4.503 0.596 465 HE1 TYR 58 1HE TYR 58 2.816 -3.419 3.324 466 HE2 TYR 58 2HE TYR 58 -1.413 -3.846 2.950 467 HH TYR 58 HH TYR 58 -0.151 -2.554 4.663 468 H PHE 59 H PHE 59 2.207 -4.922 -3.594 469 HA PHE 59 HA PHE 59 1.591 -7.670 -4.338 470 HB2 PHE 59 1HB PHE 59 1.532 -5.100 -5.931 471 HB3 PHE 59 2HB PHE 59 1.082 -6.677 -6.571 472 HD1 PHE 59 2HD PHE 59 0.307 -4.689 -3.504 473 HD2 PHE 59 1HD PHE 59 -1.170 -7.001 -6.758 474 HE1 PHE 59 2HE PHE 59 -1.992 -4.358 -2.692 475 HE2 PHE 59 1HE PHE 59 -3.472 -6.673 -5.951 476 HZ PHE 59 HZ PHE 59 -3.885 -5.352 -3.915 477 H ILE 60 H ILE 60 3.861 -5.109 -5.318 478 HA ILE 60 HA ILE 60 5.380 -6.784 -7.034 479 HB ILE 60 HB ILE 60 6.389 -4.279 -5.697 480 HG12 ILE 60 1HG1 ILE 60 4.657 -4.548 -8.164 481 HG13 ILE 60 2HG1 ILE 60 4.208 -3.773 -6.648 482 HG21 ILE 60 1HG2 ILE 60 7.539 -6.073 -7.509 483 HG22 ILE 60 2HG2 ILE 60 7.104 -4.651 -8.456 484 HG23 ILE 60 3HG2 ILE 60 8.145 -4.484 -7.043 485 HD11 ILE 60 3HD1 ILE 60 6.607 -2.751 -8.049 486 HD12 ILE 60 1HD1 ILE 60 5.028 -2.402 -8.753 487 HD13 ILE 60 2HD1 ILE 60 5.390 -1.894 -7.103 488 H LYS 61 H LYS 61 5.644 -5.888 -3.643 489 HA LYS 61 HA LYS 61 8.191 -6.712 -3.026 490 HB2 LYS 61 1HB LYS 61 7.473 -6.950 -0.775 491 HB3 LYS 61 2HB LYS 61 6.483 -5.676 -1.474 492 HG2 LYS 61 1HG LYS 61 4.576 -6.914 -1.385 493 HG3 LYS 61 2HG LYS 61 5.430 -8.448 -1.560 494 HD2 LYS 61 1HD LYS 61 5.897 -6.863 0.912 495 HD3 LYS 61 2HD LYS 61 4.351 -7.698 0.743 496 HE2 LYS 61 1HE LYS 61 7.013 -9.053 0.364 497 HE3 LYS 61 2HE LYS 61 6.177 -8.986 1.914 498 HZ1 LYS 61 3HZ LYS 61 5.746 -10.746 -0.244 499 HZ2 LYS 61 1HZ LYS 61 4.331 -9.862 0.035 500 HZ3 LYS 61 2HZ LYS 61 5.030 -10.756 1.289 501 H LEU 62 H LEU 62 5.430 -8.658 -3.840 502 HA LEU 62 HA LEU 62 6.127 -11.119 -2.777 503 HB2 LEU 62 1HB LEU 62 4.745 -10.417 -5.356 504 HB3 LEU 62 2HB LEU 62 4.903 -12.072 -4.771 505 HG LEU 62 HG LEU 62 3.528 -9.894 -3.208 506 HD11 LEU 62 1HD1 LEU 62 2.613 -10.740 -5.594 507 HD12 LEU 62 2HD1 LEU 62 1.569 -10.268 -4.254 508 HD13 LEU 62 3HD1 LEU 62 1.921 -11.972 -4.539 509 HD21 LEU 62 3HD2 LEU 62 2.744 -11.603 -1.821 510 HD22 LEU 62 1HD2 LEU 62 4.433 -12.023 -2.106 511 HD23 LEU 62 2HD2 LEU 62 3.156 -12.863 -2.985 512 H THR 63 H THR 63 7.403 -9.447 -5.570 513 HA THR 63 HA THR 63 8.627 -11.356 -7.048 514 HB THR 63 HB THR 63 8.821 -8.936 -7.506 515 HG1 THR 63 1HG THR 63 11.475 -9.842 -7.371 516 HG21 THR 63 3HG2 THR 63 9.493 -7.633 -5.813 517 HG22 THR 63 1HG2 THR 63 11.130 -8.160 -6.202 518 HG23 THR 63 2HG2 THR 63 10.211 -8.992 -4.948 519 H LYS 64 H LYS 64 9.349 -10.537 -3.774 520 HA LYS 64 HA LYS 64 10.873 -11.304 -2.264 521 HB2 LYS 64 1HB LYS 64 10.324 -13.617 -4.055 522 HB3 LYS 64 2HB LYS 64 11.669 -13.764 -2.932 523 HG2 LYS 64 1HG LYS 64 9.996 -13.038 -1.133 524 HG3 LYS 64 2HG LYS 64 8.756 -13.408 -2.334 525 HD2 LYS 64 1HD LYS 64 10.897 -15.393 -1.635 526 HD3 LYS 64 2HD LYS 64 9.427 -15.250 -0.669 527 HE2 LYS 64 1HE LYS 64 8.171 -15.500 -2.885 528 HE3 LYS 64 2HE LYS 64 9.710 -16.042 -3.552 529 HZ1 LYS 64 3HZ LYS 64 8.762 -17.307 -1.090 530 HZ2 LYS 64 1HZ LYS 64 9.654 -17.965 -2.368 531 HZ3 LYS 64 2HZ LYS 64 7.988 -17.722 -2.536 532 H ALA 65 H ALA 65 12.006 -9.590 -4.067 533 HA ALA 65 HA ALA 65 14.752 -10.549 -4.092 534 HB1 ALA 65 3HB ALA 65 13.182 -10.488 -6.463 535 HB2 ALA 65 1HB ALA 65 14.421 -9.239 -6.579 536 HB3 ALA 65 2HB ALA 65 14.883 -10.914 -6.274 537 H GLY 66 H GLY 66 16.115 -8.989 -3.469 538 HA2 GLY 66 1HA GLY 66 17.006 -6.830 -3.331 539 HA3 GLY 66 2HA GLY 66 15.531 -6.199 -4.046 540 H ILE 67 H ILE 67 13.696 -7.409 -2.244 541 HA ILE 67 HA ILE 67 13.394 -5.490 -0.315 542 HB ILE 67 HB ILE 67 12.558 -8.384 -0.098 543 HG12 ILE 67 1HG1 ILE 67 10.308 -7.164 -0.761 544 HG13 ILE 67 2HG1 ILE 67 11.409 -5.977 -1.450 545 HG21 ILE 67 1HG2 ILE 67 11.065 -6.191 1.230 546 HG22 ILE 67 2HG2 ILE 67 11.263 -7.877 1.705 547 HG23 ILE 67 3HG2 ILE 67 12.573 -6.726 1.970 548 HD11 ILE 67 3HD1 ILE 67 10.481 -8.274 -2.664 549 HD12 ILE 67 1HD1 ILE 67 11.820 -7.264 -3.207 550 HD13 ILE 67 2HD1 ILE 67 12.133 -8.675 -2.195 551 HA PRO 68 HA PRO 68 16.614 -6.230 2.619 552 HB2 PRO 68 1HB PRO 68 15.610 -4.727 4.645 553 HB3 PRO 68 2HB PRO 68 16.362 -4.023 3.208 554 HG2 PRO 68 1HG PRO 68 13.459 -4.389 3.842 555 HG3 PRO 68 2HG PRO 68 14.280 -2.990 3.125 556 HD2 PRO 68 1HD PRO 68 12.904 -4.790 1.641 557 HD3 PRO 68 2HD PRO 68 14.336 -3.941 1.025 558 H VAL 69 H VAL 69 16.832 -8.098 3.667 559 HA VAL 69 HA VAL 69 15.016 -9.877 4.517 560 HB VAL 69 HB VAL 69 17.561 -9.175 5.986 561 HG11 VAL 69 1HG1 VAL 69 15.476 -11.088 6.597 562 HG12 VAL 69 2HG1 VAL 69 17.035 -11.875 6.345 563 HG13 VAL 69 3HG1 VAL 69 16.875 -10.600 7.554 564 HG21 VAL 69 3HG2 VAL 69 17.628 -9.860 3.521 565 HG22 VAL 69 1HG2 VAL 69 18.647 -10.760 4.646 566 HG23 VAL 69 2HG2 VAL 69 17.128 -11.456 4.081 567 H SER 70 H SER 70 13.741 -10.299 6.289 568 HA SER 70 HA SER 70 13.632 -8.289 8.419 569 HB2 SER 70 1HB SER 70 11.194 -9.271 6.916 570 HB3 SER 70 2HB SER 70 11.197 -8.147 8.275 571 HG SER 70 HG SER 70 12.454 -6.727 6.946 572 H GLY 71 H GLY 71 12.499 -9.020 10.342 573 HA2 GLY 71 1HA GLY 71 12.921 -11.878 10.756 574 HA3 GLY 71 2HA GLY 71 12.652 -10.673 12.007 575 HA PRO 72 HA PRO 72 8.681 -13.020 10.610 576 HB2 PRO 72 1HB PRO 72 8.750 -15.197 12.230 577 HB3 PRO 72 2HB PRO 72 9.418 -15.196 10.594 578 HG2 PRO 72 1HG PRO 72 10.827 -14.876 13.216 579 HG3 PRO 72 2HG PRO 72 11.301 -15.834 11.800 580 HD2 PRO 72 1HD PRO 72 12.374 -13.408 12.344 581 HD3 PRO 72 2HD PRO 72 12.146 -14.002 10.686 582 H SER 73 H SER 73 6.957 -12.217 11.622 583 HA SER 73 HA SER 73 6.972 -10.798 13.965 584 HB2 SER 73 1HB SER 73 5.122 -10.932 12.214 585 HB3 SER 73 2HB SER 73 4.561 -12.374 13.059 586 HG SER 73 HG SER 73 4.787 -10.739 14.969 587 H SER 74 H SER 74 6.511 -11.194 16.110 588 HA SER 74 HA SER 74 6.735 -14.008 16.925 589 HB2 SER 74 1HB SER 74 7.513 -11.420 18.241 590 HB3 SER 74 2HB SER 74 7.289 -12.881 19.202 591 HG SER 74 HG SER 74 8.866 -13.087 16.917 592 H GLY 75 H GLY 75 5.173 -14.988 18.083 593 HA2 GLY 75 1HA GLY 75 2.946 -13.313 19.061 594 HA3 GLY 75 2HA GLY 75 2.654 -14.797 18.166 Start of MODEL 19 1 H1 GLY 1 H GLY 1 5.658 -16.846 12.646 2 HA2 GLY 1 1HA GLY 1 4.155 -15.391 11.516 3 HA3 GLY 1 2HA GLY 1 3.842 -14.576 13.042 4 H SER 2 H SER 2 5.570 -14.499 10.142 5 HA SER 2 HA SER 2 7.924 -13.211 10.661 6 HB2 SER 2 1HB SER 2 6.755 -13.838 8.395 7 HB3 SER 2 2HB SER 2 6.191 -12.168 8.447 8 HG SER 2 HG SER 2 8.911 -12.750 8.860 9 H SER 3 H SER 3 8.545 -11.304 11.459 10 HA SER 3 HA SER 3 6.971 -8.934 11.302 11 HB2 SER 3 1HB SER 3 5.888 -10.328 13.185 12 HB3 SER 3 2HB SER 3 7.339 -9.952 14.114 13 HG SER 3 HG SER 3 5.204 -8.445 13.782 14 H GLY 4 H GLY 4 7.991 -7.150 12.692 15 HA2 GLY 4 1HA GLY 4 10.742 -7.568 13.465 16 HA3 GLY 4 2HA GLY 4 10.556 -6.650 11.978 17 H SER 5 H SER 5 10.646 -6.505 15.346 18 HA SER 5 HA SER 5 9.193 -3.999 15.552 19 HB2 SER 5 1HB SER 5 10.706 -5.617 17.614 20 HB3 SER 5 2HB SER 5 9.814 -4.137 17.965 21 HG SER 5 HG SER 5 8.864 -6.680 17.293 22 H SER 6 H SER 6 10.581 -2.813 14.090 23 HA SER 6 HA SER 6 12.572 -1.322 15.472 24 HB2 SER 6 1HB SER 6 14.049 -3.142 15.025 25 HB3 SER 6 2HB SER 6 13.471 -3.293 13.366 26 HG SER 6 HG SER 6 15.121 -1.306 14.497 27 H GLY 7 H GLY 7 12.401 0.682 14.725 28 HA2 GLY 7 1HA GLY 7 12.751 1.979 12.557 29 HA3 GLY 7 2HA GLY 7 11.369 1.056 11.986 30 H ASN 8 H ASN 8 11.181 3.723 11.837 31 HA ASN 8 HA ASN 8 9.309 4.379 14.013 32 HB2 ASN 8 1HB ASN 8 11.407 5.679 14.238 33 HB3 ASN 8 2HB ASN 8 11.161 6.325 12.618 34 HD21 ASN 8 1HD2 ASN 8 10.669 8.386 12.857 35 HD22 ASN 8 2HD2 ASN 8 9.463 9.020 13.920 36 H GLN 9 H GLN 9 7.605 5.879 13.418 37 HA GLN 9 HA GLN 9 5.773 6.266 12.098 38 HB2 GLN 9 1HB GLN 9 8.129 7.333 10.593 39 HB3 GLN 9 2HB GLN 9 6.533 7.405 9.858 40 HG2 GLN 9 1HG GLN 9 7.504 8.743 12.355 41 HG3 GLN 9 2HG GLN 9 6.821 9.473 10.904 42 HE21 GLN 9 1HE2 GLN 9 4.531 8.680 10.422 43 HE22 GLN 9 2HE2 GLN 9 3.452 8.629 11.770 44 H LEU 10 H LEU 10 6.311 3.616 11.994 45 HA LEU 10 HA LEU 10 6.149 2.895 9.148 46 HB2 LEU 10 1HB LEU 10 7.841 1.600 9.992 47 HB3 LEU 10 2HB LEU 10 7.101 1.483 11.587 48 HG LEU 10 HG LEU 10 5.638 -0.237 10.887 49 HD11 LEU 10 1HD1 LEU 10 6.287 -0.772 8.211 50 HD12 LEU 10 2HD1 LEU 10 5.974 0.961 8.306 51 HD13 LEU 10 3HD1 LEU 10 4.753 -0.187 8.856 52 HD21 LEU 10 3HD2 LEU 10 7.570 -1.363 11.314 53 HD22 LEU 10 1HD2 LEU 10 8.482 -0.494 10.079 54 HD23 LEU 10 2HD2 LEU 10 7.374 -1.784 9.612 55 H TRP 11 H TRP 11 4.362 1.961 8.323 56 HA TRP 11 HA TRP 11 1.869 2.297 9.193 57 HB2 TRP 11 1HB TRP 11 2.940 -0.149 7.779 58 HB3 TRP 11 2HB TRP 11 1.221 0.181 7.978 59 HD1 TRP 11 HD TRP 11 4.325 1.924 6.424 60 HE1 TRP 11 1HE TRP 11 3.540 3.224 4.347 61 HE3 TRP 11 3HE TRP 11 -0.695 1.008 6.741 62 HZ2 TRP 11 2HZ TRP 11 1.114 3.788 3.018 63 HZ3 TRP 11 3HZ TRP 11 -2.179 1.965 5.028 64 HH2 TRP 11 HH TRP 11 -1.291 3.327 3.206 65 H THR 12 H THR 12 0.489 1.557 10.705 66 HA THR 12 HA THR 12 1.541 -0.374 12.641 67 HB THR 12 HB THR 12 0.773 1.794 13.525 68 HG1 THR 12 1HG THR 12 -0.534 -0.603 14.242 69 HG21 THR 12 3HG2 THR 12 -1.038 2.085 11.790 70 HG22 THR 12 1HG2 THR 12 -1.505 2.479 13.444 71 HG23 THR 12 2HG2 THR 12 -2.008 0.949 12.726 72 H VAL 13 H VAL 13 0.337 -2.156 13.345 73 HA VAL 13 HA VAL 13 -0.812 -3.833 11.627 74 HB VAL 13 HB VAL 13 -1.760 -3.386 14.459 75 HG11 VAL 13 1HG1 VAL 13 -3.369 -4.646 12.991 76 HG12 VAL 13 2HG1 VAL 13 -2.117 -5.875 12.804 77 HG13 VAL 13 3HG1 VAL 13 -2.782 -5.528 14.401 78 HG21 VAL 13 3HG2 VAL 13 -0.017 -5.645 13.613 79 HG22 VAL 13 1HG2 VAL 13 0.703 -4.045 13.785 80 HG23 VAL 13 2HG2 VAL 13 -0.102 -4.802 15.160 81 H GLU 14 H GLU 14 -2.756 -1.513 13.519 82 HA GLU 14 HA GLU 14 -5.244 -2.013 12.518 83 HB2 GLU 14 1HB GLU 14 -3.901 0.480 13.461 84 HB3 GLU 14 2HB GLU 14 -5.487 0.615 12.717 85 HG2 GLU 14 1HG GLU 14 -6.398 -0.939 14.360 86 HG3 GLU 14 2HG GLU 14 -4.807 -1.087 15.104 87 H GLU 15 H GLU 15 -2.992 0.402 11.160 88 HA GLU 15 HA GLU 15 -4.531 0.976 8.884 89 HB2 GLU 15 1HB GLU 15 -1.615 1.309 9.534 90 HB3 GLU 15 2HB GLU 15 -2.244 1.738 7.950 91 HG2 GLU 15 1HG GLU 15 -2.039 3.567 9.739 92 HG3 GLU 15 2HG GLU 15 -3.514 3.482 8.778 93 H GLN 16 H GLN 16 -1.674 -1.129 9.223 94 HA GLN 16 HA GLN 16 -1.281 -2.071 6.746 95 HB2 GLN 16 1HB GLN 16 -1.292 -3.503 9.377 96 HB3 GLN 16 2HB GLN 16 -0.982 -4.402 7.898 97 HG2 GLN 16 1HG GLN 16 0.796 -2.586 7.446 98 HG3 GLN 16 2HG GLN 16 0.642 -2.240 9.167 99 HE21 GLN 16 1HE2 GLN 16 2.253 -3.124 10.231 100 HE22 GLN 16 2HE2 GLN 16 2.911 -4.699 9.967 101 H LYS 17 H LYS 17 -3.459 -3.886 8.906 102 HA LYS 17 HA LYS 17 -4.669 -5.387 6.889 103 HB2 LYS 17 1HB LYS 17 -6.376 -5.938 8.530 104 HB3 LYS 17 2HB LYS 17 -4.788 -5.951 9.285 105 HG2 LYS 17 1HG LYS 17 -5.228 -3.702 10.188 106 HG3 LYS 17 2HG LYS 17 -6.846 -3.761 9.484 107 HD2 LYS 17 1HD LYS 17 -7.587 -5.339 10.984 108 HD3 LYS 17 2HD LYS 17 -5.969 -5.983 11.269 109 HE2 LYS 17 1HE LYS 17 -5.385 -4.137 12.643 110 HE3 LYS 17 2HE LYS 17 -6.823 -3.238 12.162 111 HZ1 LYS 17 3HZ LYS 17 -6.719 -5.680 13.843 112 HZ2 LYS 17 1HZ LYS 17 -8.154 -5.011 13.248 113 HZ3 LYS 17 2HZ LYS 17 -7.191 -4.127 14.321 114 H LYS 18 H LYS 18 -5.700 -2.346 8.397 115 HA LYS 18 HA LYS 18 -8.164 -1.986 7.263 116 HB2 LYS 18 1HB LYS 18 -7.059 -0.442 8.879 117 HB3 LYS 18 2HB LYS 18 -6.070 0.174 7.562 118 HG2 LYS 18 1HG LYS 18 -7.810 1.304 6.595 119 HG3 LYS 18 2HG LYS 18 -9.031 0.220 7.268 120 HD2 LYS 18 1HD LYS 18 -8.414 1.175 9.539 121 HD3 LYS 18 2HD LYS 18 -7.514 2.415 8.663 122 HE2 LYS 18 1HE LYS 18 -9.416 3.381 7.807 123 HE3 LYS 18 2HE LYS 18 -10.349 1.888 7.908 124 HZ1 LYS 18 3HZ LYS 18 -10.852 3.769 9.556 125 HZ2 LYS 18 1HZ LYS 18 -9.451 3.262 10.358 126 HZ3 LYS 18 2HZ LYS 18 -10.743 2.190 10.153 127 H LEU 19 H LEU 19 -5.012 -1.406 5.777 128 HA LEU 19 HA LEU 19 -6.032 -0.282 3.375 129 HB2 LEU 19 1HB LEU 19 -3.812 0.238 3.802 130 HB3 LEU 19 2HB LEU 19 -3.402 -1.423 4.225 131 HG LEU 19 HG LEU 19 -3.582 -2.036 1.836 132 HD11 LEU 19 1HD1 LEU 19 -3.821 0.928 1.353 133 HD12 LEU 19 2HD1 LEU 19 -5.153 -0.219 1.215 134 HD13 LEU 19 3HD1 LEU 19 -3.762 -0.350 0.139 135 HD21 LEU 19 3HD2 LEU 19 -1.634 -0.120 1.320 136 HD22 LEU 19 1HD2 LEU 19 -1.385 -1.732 1.991 137 HD23 LEU 19 2HD2 LEU 19 -1.587 -0.350 3.068 138 H GLU 20 H GLU 20 -4.509 -3.463 3.942 139 HA GLU 20 HA GLU 20 -4.836 -4.736 1.624 140 HB2 GLU 20 1HB GLU 20 -5.574 -5.849 4.335 141 HB3 GLU 20 2HB GLU 20 -5.349 -6.829 2.893 142 HG2 GLU 20 1HG GLU 20 -3.019 -5.597 2.840 143 HG3 GLU 20 2HG GLU 20 -3.343 -5.419 4.563 144 H GLN 21 H GLN 21 -7.463 -4.012 3.863 145 HA GLN 21 HA GLN 21 -9.455 -5.387 2.336 146 HB2 GLN 21 1HB GLN 21 -9.538 -3.468 4.647 147 HB3 GLN 21 2HB GLN 21 -11.014 -3.968 3.833 148 HG2 GLN 21 1HG GLN 21 -9.075 -5.652 5.379 149 HG3 GLN 21 2HG GLN 21 -10.792 -5.388 5.683 150 HE21 GLN 21 1HE2 GLN 21 -9.181 -7.851 5.258 151 HE22 GLN 21 2HE2 GLN 21 -9.984 -8.696 3.983 152 H LEU 22 H LEU 22 -8.502 -1.994 2.723 153 HA LEU 22 HA LEU 22 -10.488 -0.850 1.123 154 HB2 LEU 22 1HB LEU 22 -7.679 0.004 1.763 155 HB3 LEU 22 2HB LEU 22 -8.766 0.989 0.786 156 HG LEU 22 HG LEU 22 -9.643 0.113 3.502 157 HD11 LEU 22 1HD1 LEU 22 -7.288 1.672 2.993 158 HD12 LEU 22 2HD1 LEU 22 -7.979 1.155 4.531 159 HD13 LEU 22 3HD1 LEU 22 -8.516 2.660 3.785 160 HD21 LEU 22 3HD2 LEU 22 -11.359 1.257 2.536 161 HD22 LEU 22 1HD2 LEU 22 -10.290 2.233 1.528 162 HD23 LEU 22 2HD2 LEU 22 -10.480 2.616 3.239 163 H LEU 23 H LEU 23 -7.352 -2.228 0.284 164 HA LEU 23 HA LEU 23 -7.070 -1.415 -2.326 165 HB2 LEU 23 1HB LEU 23 -6.377 -3.988 -0.953 166 HB3 LEU 23 2HB LEU 23 -6.016 -3.739 -2.660 167 HG LEU 23 HG LEU 23 -4.980 -1.996 -0.427 168 HD11 LEU 23 1HD1 LEU 23 -2.814 -3.126 -0.904 169 HD12 LEU 23 2HD1 LEU 23 -3.694 -4.294 -1.889 170 HD13 LEU 23 3HD1 LEU 23 -4.025 -4.172 -0.161 171 HD21 LEU 23 3HD2 LEU 23 -5.137 -1.593 -3.206 172 HD22 LEU 23 1HD2 LEU 23 -3.453 -1.975 -2.847 173 HD23 LEU 23 2HD2 LEU 23 -4.249 -0.636 -2.020 174 H ILE 24 H ILE 24 -8.862 -4.259 -1.160 175 HA ILE 24 HA ILE 24 -9.768 -5.096 -3.696 176 HB ILE 24 HB ILE 24 -11.023 -5.576 -0.991 177 HG12 ILE 24 1HG1 ILE 24 -9.313 -7.506 -2.540 178 HG13 ILE 24 2HG1 ILE 24 -8.588 -6.318 -1.462 179 HG21 ILE 24 1HG2 ILE 24 -12.118 -7.485 -2.047 180 HG22 ILE 24 2HG2 ILE 24 -12.587 -5.974 -2.823 181 HG23 ILE 24 3HG2 ILE 24 -11.414 -7.036 -3.601 182 HD11 ILE 24 3HD1 ILE 24 -9.034 -8.660 -0.554 183 HD12 ILE 24 1HD1 ILE 24 -9.537 -7.285 0.429 184 HD13 ILE 24 2HD1 ILE 24 -10.730 -8.179 -0.513 185 H LYS 25 H LYS 25 -11.314 -3.128 -1.174 186 HA LYS 25 HA LYS 25 -13.780 -2.743 -2.402 187 HB2 LYS 25 1HB LYS 25 -13.468 -2.079 -0.121 188 HB3 LYS 25 2HB LYS 25 -12.195 -0.949 -0.563 189 HG2 LYS 25 1HG LYS 25 -14.145 0.107 -2.010 190 HG3 LYS 25 2HG LYS 25 -15.138 -0.677 -0.779 191 HD2 LYS 25 1HD LYS 25 -12.810 1.092 -0.077 192 HD3 LYS 25 2HD LYS 25 -14.433 1.733 -0.341 193 HE2 LYS 25 1HE LYS 25 -15.311 0.403 1.453 194 HE3 LYS 25 2HE LYS 25 -13.776 -0.443 1.638 195 HZ1 LYS 25 3HZ LYS 25 -13.208 1.095 3.106 196 HZ2 LYS 25 1HZ LYS 25 -14.609 1.994 2.801 197 HZ3 LYS 25 2HZ LYS 25 -13.217 2.256 1.876 198 H TYR 26 H TYR 26 -10.768 -0.917 -2.755 199 HA TYR 26 HA TYR 26 -12.007 0.642 -4.915 200 HB2 TYR 26 1HB TYR 26 -9.610 1.129 -3.161 201 HB3 TYR 26 2HB TYR 26 -9.844 2.022 -4.659 202 HD1 TYR 26 1HD TYR 26 -12.050 3.313 -4.927 203 HD2 TYR 26 2HD TYR 26 -10.644 1.839 -1.191 204 HE1 TYR 26 1HE TYR 26 -13.514 4.904 -3.755 205 HE2 TYR 26 2HE TYR 26 -12.106 3.425 -0.009 206 HH TYR 26 HH TYR 26 -14.618 5.050 -1.468 207 HA PRO 27 HA PRO 27 -9.567 -2.350 -7.343 208 HB2 PRO 27 1HB PRO 27 -11.122 -2.125 -9.558 209 HB3 PRO 27 2HB PRO 27 -11.532 -3.180 -8.199 210 HG2 PRO 27 1HG PRO 27 -12.557 -0.443 -8.849 211 HG3 PRO 27 2HG PRO 27 -13.450 -1.868 -8.287 212 HD2 PRO 27 1HD PRO 27 -12.735 0.150 -6.629 213 HD3 PRO 27 2HD PRO 27 -12.844 -1.537 -6.088 214 HA PRO 28 HA PRO 28 -7.125 0.405 -9.747 215 HB2 PRO 28 1HB PRO 28 -6.495 -1.107 -11.912 216 HB3 PRO 28 2HB PRO 28 -5.812 -1.395 -10.307 217 HG2 PRO 28 1HG PRO 28 -8.078 -2.788 -11.679 218 HG3 PRO 28 2HG PRO 28 -6.751 -3.480 -10.728 219 HD2 PRO 28 1HD PRO 28 -9.233 -3.110 -9.711 220 HD3 PRO 28 2HD PRO 28 -7.766 -2.986 -8.719 221 H GLU 29 H GLU 29 -7.133 1.809 -11.519 222 HA GLU 29 HA GLU 29 -9.220 1.515 -13.531 223 HB2 GLU 29 1HB GLU 29 -9.813 4.002 -13.091 224 HB3 GLU 29 2HB GLU 29 -10.517 2.763 -12.063 225 HG2 GLU 29 1HG GLU 29 -8.384 3.271 -10.594 226 HG3 GLU 29 2HG GLU 29 -8.473 4.817 -11.435 227 H GLU 30 H GLU 30 -9.085 3.464 -15.103 228 HA GLU 30 HA GLU 30 -6.813 3.443 -16.532 229 HB2 GLU 30 1HB GLU 30 -9.048 4.743 -16.906 230 HB3 GLU 30 2HB GLU 30 -8.177 6.090 -16.187 231 HG2 GLU 30 1HG GLU 30 -6.657 6.208 -17.935 232 HG3 GLU 30 2HG GLU 30 -7.006 4.568 -18.478 233 H VAL 31 H VAL 31 -7.450 5.680 -13.849 234 HA VAL 31 HA VAL 31 -4.570 6.312 -13.801 235 HB VAL 31 HB VAL 31 -6.874 8.014 -12.840 236 HG11 VAL 31 1HG1 VAL 31 -3.954 8.743 -12.951 237 HG12 VAL 31 2HG1 VAL 31 -5.276 9.675 -12.244 238 HG13 VAL 31 3HG1 VAL 31 -4.759 8.165 -11.493 239 HG21 VAL 31 3HG2 VAL 31 -5.551 7.765 -15.393 240 HG22 VAL 31 1HG2 VAL 31 -6.980 8.701 -14.954 241 HG23 VAL 31 2HG2 VAL 31 -5.372 9.393 -14.740 242 H GLU 32 H GLU 32 -3.547 5.328 -12.196 243 HA GLU 32 HA GLU 32 -4.919 4.213 -9.950 244 HB2 GLU 32 1HB GLU 32 -2.651 3.583 -9.177 245 HB3 GLU 32 2HB GLU 32 -2.969 3.090 -10.834 246 HG2 GLU 32 1HG GLU 32 -1.623 5.697 -10.355 247 HG3 GLU 32 2HG GLU 32 -0.699 4.209 -10.153 248 H SER 33 H SER 33 -3.307 7.201 -10.603 249 HA SER 33 HA SER 33 -2.529 8.039 -8.084 250 HB2 SER 33 1HB SER 33 -3.535 9.518 -10.499 251 HB3 SER 33 2HB SER 33 -3.162 10.388 -9.011 252 HG SER 33 HG SER 33 -1.097 10.072 -9.337 253 H ARG 34 H ARG 34 -5.674 8.637 -9.657 254 HA ARG 34 HA ARG 34 -6.887 9.859 -7.440 255 HB2 ARG 34 1HB ARG 34 -9.040 9.249 -8.600 256 HB3 ARG 34 2HB ARG 34 -7.889 10.147 -9.580 257 HG2 ARG 34 1HG ARG 34 -7.246 8.168 -10.758 258 HG3 ARG 34 2HG ARG 34 -8.200 7.156 -9.672 259 HD2 ARG 34 1HD ARG 34 -9.664 7.323 -11.412 260 HD3 ARG 34 2HD ARG 34 -10.149 8.744 -10.488 261 HE ARG 34 HE ARG 34 -8.121 9.393 -12.364 262 HH11 ARG 34 1HH1 ARG 34 -11.521 8.690 -12.100 263 HH12 ARG 34 2HH1 ARG 34 -11.952 9.606 -13.506 264 HH21 ARG 34 1HH2 ARG 34 -8.677 10.601 -14.217 265 HH22 ARG 34 2HH2 ARG 34 -10.334 10.692 -14.710 266 H ARG 35 H ARG 35 -6.667 6.486 -8.435 267 HA ARG 35 HA ARG 35 -8.525 5.341 -6.727 268 HB2 ARG 35 1HB ARG 35 -7.560 3.929 -8.344 269 HB3 ARG 35 2HB ARG 35 -5.923 4.336 -7.847 270 HG2 ARG 35 1HG ARG 35 -6.430 3.180 -5.662 271 HG3 ARG 35 2HG ARG 35 -7.904 2.583 -6.427 272 HD2 ARG 35 1HD ARG 35 -6.586 1.498 -8.160 273 HD3 ARG 35 2HD ARG 35 -5.103 2.139 -7.453 274 HE ARG 35 HE ARG 35 -6.179 0.754 -5.409 275 HH11 ARG 35 1HH1 ARG 35 -5.541 -0.058 -8.734 276 HH12 ARG 35 2HH1 ARG 35 -5.279 -1.739 -8.409 277 HH21 ARG 35 1HH2 ARG 35 -5.836 -1.458 -4.969 278 HH22 ARG 35 2HH2 ARG 35 -5.448 -2.534 -6.267 279 H TRP 36 H TRP 36 -5.073 5.957 -6.121 280 HA TRP 36 HA TRP 36 -5.015 4.969 -3.498 281 HB2 TRP 36 1HB TRP 36 -3.300 7.245 -4.482 282 HB3 TRP 36 2HB TRP 36 -2.896 6.013 -3.289 283 HD1 TRP 36 HD TRP 36 -1.800 6.855 -6.514 284 HE1 TRP 36 1HE TRP 36 -1.087 4.820 -7.919 285 HE3 TRP 36 3HE TRP 36 -4.055 3.161 -3.794 286 HZ2 TRP 36 2HZ TRP 36 -1.436 2.019 -7.881 287 HZ3 TRP 36 3HZ TRP 36 -3.818 0.830 -4.546 288 HH2 TRP 36 HH TRP 36 -2.535 0.273 -6.548 289 H GLN 37 H GLN 37 -5.831 8.145 -4.778 290 HA GLN 37 HA GLN 37 -5.862 9.594 -2.394 291 HB2 GLN 37 1HB GLN 37 -6.024 10.687 -4.556 292 HB3 GLN 37 2HB GLN 37 -7.575 9.916 -4.863 293 HG2 GLN 37 1HG GLN 37 -7.409 12.397 -4.012 294 HG3 GLN 37 2HG GLN 37 -8.710 11.327 -3.494 295 HE21 GLN 37 1HE2 GLN 37 -5.334 11.889 -2.543 296 HE22 GLN 37 2HE2 GLN 37 -5.657 12.036 -0.852 297 H LYS 38 H LYS 38 -8.389 7.645 -3.923 298 HA LYS 38 HA LYS 38 -10.458 8.263 -2.123 299 HB2 LYS 38 1HB LYS 38 -10.018 5.742 -3.733 300 HB3 LYS 38 2HB LYS 38 -11.526 6.195 -2.952 301 HG2 LYS 38 1HG LYS 38 -11.675 8.172 -4.376 302 HG3 LYS 38 2HG LYS 38 -10.159 7.722 -5.159 303 HD2 LYS 38 1HD LYS 38 -11.454 5.451 -5.555 304 HD3 LYS 38 2HD LYS 38 -12.863 6.502 -5.396 305 HE2 LYS 38 1HE LYS 38 -10.612 7.286 -7.200 306 HE3 LYS 38 2HE LYS 38 -11.792 6.092 -7.739 307 HZ1 LYS 38 3HZ LYS 38 -13.465 7.626 -7.780 308 HZ2 LYS 38 1HZ LYS 38 -12.158 8.621 -8.182 309 HZ3 LYS 38 2HZ LYS 38 -12.761 8.616 -6.603 310 H ILE 39 H ILE 39 -8.066 5.645 -2.132 311 HA ILE 39 HA ILE 39 -9.032 4.326 0.168 312 HB ILE 39 HB ILE 39 -6.311 4.348 -1.126 313 HG12 ILE 39 1HG1 ILE 39 -8.132 1.984 -0.938 314 HG13 ILE 39 2HG1 ILE 39 -8.506 3.248 -2.104 315 HG21 ILE 39 1HG2 ILE 39 -5.735 2.446 0.304 316 HG22 ILE 39 2HG2 ILE 39 -6.022 3.907 1.249 317 HG23 ILE 39 3HG2 ILE 39 -7.254 2.647 1.178 318 HD11 ILE 39 3HD1 ILE 39 -7.244 1.487 -3.155 319 HD12 ILE 39 1HD1 ILE 39 -6.278 2.961 -3.094 320 HD13 ILE 39 2HD1 ILE 39 -5.962 1.651 -1.955 321 H ALA 40 H ALA 40 -6.357 6.640 -0.248 322 HA ALA 40 HA ALA 40 -5.473 6.788 2.361 323 HB1 ALA 40 3HB ALA 40 -5.570 9.384 1.007 324 HB2 ALA 40 1HB ALA 40 -4.192 8.476 1.633 325 HB3 ALA 40 2HB ALA 40 -4.861 8.084 0.048 326 H ASP 41 H ASP 41 -7.878 8.944 0.841 327 HA ASP 41 HA ASP 41 -8.578 10.469 3.003 328 HB2 ASP 41 1HB ASP 41 -9.477 10.383 0.511 329 HB3 ASP 41 2HB ASP 41 -10.787 9.473 1.258 330 H GLU 42 H GLU 42 -9.570 7.177 2.278 331 HA GLU 42 HA GLU 42 -11.547 7.014 4.324 332 HB2 GLU 42 1HB GLU 42 -10.171 5.067 2.529 333 HB3 GLU 42 2HB GLU 42 -11.022 4.449 3.937 334 HG2 GLU 42 1HG GLU 42 -12.214 6.135 1.747 335 HG3 GLU 42 2HG GLU 42 -12.432 4.400 1.963 336 H LEU 43 H LEU 43 -8.189 5.875 4.077 337 HA LEU 43 HA LEU 43 -7.917 4.595 6.490 338 HB2 LEU 43 1HB LEU 43 -6.069 6.115 4.735 339 HB3 LEU 43 2HB LEU 43 -5.506 5.712 6.356 340 HG LEU 43 HG LEU 43 -6.621 3.539 4.646 341 HD11 LEU 43 1HD1 LEU 43 -3.745 4.357 4.423 342 HD12 LEU 43 2HD1 LEU 43 -4.968 4.962 3.306 343 HD13 LEU 43 3HD1 LEU 43 -4.659 3.229 3.421 344 HD21 LEU 43 3HD2 LEU 43 -6.062 2.656 6.670 345 HD22 LEU 43 1HD2 LEU 43 -4.789 3.842 6.962 346 HD23 LEU 43 2HD2 LEU 43 -4.504 2.497 5.857 347 H GLY 44 H GLY 44 -7.835 8.063 5.843 348 HA2 GLY 44 1HA GLY 44 -8.813 9.427 7.682 349 HA3 GLY 44 2HA GLY 44 -7.771 8.514 8.764 350 H ASN 45 H ASN 45 -5.382 8.660 8.227 351 HA ASN 45 HA ASN 45 -4.760 11.471 7.650 352 HB2 ASN 45 1HB ASN 45 -3.420 9.363 9.319 353 HB3 ASN 45 2HB ASN 45 -2.512 10.763 8.756 354 HD21 ASN 45 1HD2 ASN 45 -2.320 12.181 10.320 355 HD22 ASN 45 2HD2 ASN 45 -3.555 12.645 11.436 356 H ARG 46 H ARG 46 -3.785 8.163 6.884 357 HA ARG 46 HA ARG 46 -1.587 8.555 5.307 358 HB2 ARG 46 1HB ARG 46 -3.811 6.576 5.266 359 HB3 ARG 46 2HB ARG 46 -2.725 6.611 3.884 360 HG2 ARG 46 1HG ARG 46 -1.784 6.346 6.728 361 HG3 ARG 46 2HG ARG 46 -2.125 4.973 5.674 362 HD2 ARG 46 1HD ARG 46 -0.367 5.499 4.226 363 HD3 ARG 46 2HD ARG 46 -0.245 7.151 4.832 364 HE ARG 46 HE ARG 46 1.117 4.886 5.834 365 HH11 ARG 46 1HH1 ARG 46 -0.482 7.797 6.877 366 HH12 ARG 46 2HH1 ARG 46 0.458 7.950 8.325 367 HH21 ARG 46 1HH2 ARG 46 2.361 5.076 7.737 368 HH22 ARG 46 2HH2 ARG 46 2.075 6.402 8.812 369 H THR 47 H THR 47 -1.166 9.114 3.199 370 HA THR 47 HA THR 47 -3.393 10.393 1.754 371 HB THR 47 HB THR 47 -1.822 12.082 2.307 372 HG1 THR 47 1HG THR 47 -0.794 12.370 0.067 373 HG21 THR 47 3HG2 THR 47 0.093 10.849 2.969 374 HG22 THR 47 1HG2 THR 47 0.601 11.845 1.607 375 HG23 THR 47 2HG2 THR 47 0.271 10.129 1.369 376 H ALA 48 H ALA 48 -3.156 10.423 -0.637 377 HA ALA 48 HA ALA 48 -3.185 7.973 -1.791 378 HB1 ALA 48 3HB ALA 48 -3.945 9.712 -3.130 379 HB2 ALA 48 1HB ALA 48 -2.465 10.649 -2.925 380 HB3 ALA 48 2HB ALA 48 -2.462 9.206 -3.938 381 H LYS 49 H LYS 49 -0.338 9.971 -1.222 382 HA LYS 49 HA LYS 49 1.519 8.467 -2.689 383 HB2 LYS 49 1HB LYS 49 1.667 10.428 -0.456 384 HB3 LYS 49 2HB LYS 49 3.090 9.440 -0.760 385 HG2 LYS 49 1HG LYS 49 3.364 11.460 -1.965 386 HG3 LYS 49 2HG LYS 49 2.997 10.199 -3.145 387 HD2 LYS 49 1HD LYS 49 0.522 11.014 -2.734 388 HD3 LYS 49 2HD LYS 49 1.336 12.498 -2.232 389 HE2 LYS 49 1HE LYS 49 1.943 11.135 -4.841 390 HE3 LYS 49 2HE LYS 49 0.645 12.317 -4.679 391 HZ1 LYS 49 3HZ LYS 49 3.181 13.174 -3.600 392 HZ2 LYS 49 1HZ LYS 49 2.089 14.003 -4.593 393 HZ3 LYS 49 2HZ LYS 49 3.194 12.918 -5.273 394 H GLN 50 H GLN 50 1.346 8.528 0.869 395 HA GLN 50 HA GLN 50 2.845 6.410 1.529 396 HB2 GLN 50 1HB GLN 50 0.112 6.805 2.746 397 HB3 GLN 50 2HB GLN 50 1.534 6.115 3.515 398 HG2 GLN 50 1HG GLN 50 0.842 8.947 2.992 399 HG3 GLN 50 2HG GLN 50 1.577 8.201 4.410 400 HE21 GLN 50 1HE2 GLN 50 2.128 10.175 1.837 401 HE22 GLN 50 2HE2 GLN 50 3.848 10.048 1.739 402 H VAL 51 H VAL 51 -0.528 6.175 0.447 403 HA VAL 51 HA VAL 51 -0.707 3.360 0.634 404 HB VAL 51 HB VAL 51 -2.274 5.253 -1.125 405 HG11 VAL 51 1HG1 VAL 51 -2.191 2.636 -1.534 406 HG12 VAL 51 2HG1 VAL 51 -3.361 2.644 -0.213 407 HG13 VAL 51 3HG1 VAL 51 -3.688 3.556 -1.688 408 HG21 VAL 51 3HG2 VAL 51 -2.492 5.820 1.220 409 HG22 VAL 51 1HG2 VAL 51 -3.985 5.079 0.644 410 HG23 VAL 51 2HG2 VAL 51 -2.855 4.141 1.620 411 H ALA 52 H ALA 52 0.146 5.535 -2.025 412 HA ALA 52 HA ALA 52 0.278 3.654 -4.083 413 HB1 ALA 52 3HB ALA 52 0.795 6.366 -3.815 414 HB2 ALA 52 1HB ALA 52 2.337 5.674 -4.322 415 HB3 ALA 52 2HB ALA 52 0.890 5.416 -5.298 416 H SER 53 H SER 53 2.952 4.905 -2.076 417 HA SER 53 HA SER 53 4.941 3.228 -3.082 418 HB2 SER 53 1HB SER 53 4.663 4.493 -0.347 419 HB3 SER 53 2HB SER 53 6.129 3.699 -0.922 420 HG SER 53 HG SER 53 6.051 5.232 -2.708 421 H GLN 54 H GLN 54 2.811 2.790 -0.275 422 HA GLN 54 HA GLN 54 3.841 0.390 0.669 423 HB2 GLN 54 1HB GLN 54 1.940 1.967 1.575 424 HB3 GLN 54 2HB GLN 54 0.887 0.857 0.707 425 HG2 GLN 54 1HG GLN 54 0.933 0.001 2.858 426 HG3 GLN 54 2HG GLN 54 2.102 -0.994 1.993 427 HE21 GLN 54 1HE2 GLN 54 2.252 -0.992 4.651 428 HE22 GLN 54 2HE2 GLN 54 3.617 -0.088 5.201 429 H VAL 55 H VAL 55 1.194 0.893 -1.658 430 HA VAL 55 HA VAL 55 0.504 -1.721 -2.167 431 HB VAL 55 HB VAL 55 0.667 0.518 -4.190 432 HG11 VAL 55 1HG1 VAL 55 0.465 -1.634 -5.285 433 HG12 VAL 55 2HG1 VAL 55 -0.889 -2.066 -4.238 434 HG13 VAL 55 3HG1 VAL 55 -1.057 -0.752 -5.404 435 HG21 VAL 55 3HG2 VAL 55 -1.161 1.407 -3.275 436 HG22 VAL 55 1HG2 VAL 55 -1.959 -0.163 -3.174 437 HG23 VAL 55 2HG2 VAL 55 -0.871 0.357 -1.888 438 H GLN 56 H GLN 56 3.326 0.035 -3.237 439 HA GLN 56 HA GLN 56 4.139 -1.695 -5.305 440 HB2 GLN 56 1HB GLN 56 5.905 -0.025 -3.510 441 HB3 GLN 56 2HB GLN 56 6.317 -0.645 -5.103 442 HG2 GLN 56 1HG GLN 56 4.377 0.726 -5.982 443 HG3 GLN 56 2HG GLN 56 4.346 1.503 -4.400 444 HE21 GLN 56 1HE2 GLN 56 6.814 0.548 -6.770 445 HE22 GLN 56 2HE2 GLN 56 7.652 2.059 -6.759 446 H LYS 57 H LYS 57 5.221 -1.509 -1.913 447 HA LYS 57 HA LYS 57 6.773 -3.895 -2.085 448 HB2 LYS 57 1HB LYS 57 7.428 -3.437 0.054 449 HB3 LYS 57 2HB LYS 57 6.835 -1.842 -0.391 450 HG2 LYS 57 1HG LYS 57 4.670 -2.395 0.664 451 HG3 LYS 57 2HG LYS 57 5.353 -3.937 1.185 452 HD2 LYS 57 1HD LYS 57 5.768 -2.715 3.062 453 HD3 LYS 57 2HD LYS 57 7.235 -2.330 2.159 454 HE2 LYS 57 1HE LYS 57 6.265 -0.256 1.392 455 HE3 LYS 57 2HE LYS 57 4.725 -0.657 2.149 456 HZ1 LYS 57 3HZ LYS 57 6.227 0.922 3.397 457 HZ2 LYS 57 1HZ LYS 57 7.226 -0.407 3.711 458 HZ3 LYS 57 2HZ LYS 57 5.633 -0.395 4.278 459 H TYR 58 H TYR 58 3.545 -3.529 -2.226 460 HA TYR 58 HA TYR 58 2.929 -5.906 -0.619 461 HB2 TYR 58 1HB TYR 58 1.280 -3.646 -1.691 462 HB3 TYR 58 2HB TYR 58 0.508 -5.179 -1.303 463 HD1 TYR 58 1HD TYR 58 3.387 -3.972 0.614 464 HD2 TYR 58 2HD TYR 58 -0.858 -4.198 0.445 465 HE1 TYR 58 1HE TYR 58 3.264 -3.307 2.978 466 HE2 TYR 58 2HE TYR 58 -0.993 -3.533 2.809 467 HH TYR 58 HH TYR 58 0.492 -2.235 4.445 468 H PHE 59 H PHE 59 2.861 -4.636 -3.888 469 HA PHE 59 HA PHE 59 1.977 -7.269 -4.864 470 HB2 PHE 59 1HB PHE 59 1.830 -4.551 -6.181 471 HB3 PHE 59 2HB PHE 59 1.396 -6.061 -6.975 472 HD1 PHE 59 2HD PHE 59 0.660 -4.413 -3.704 473 HD2 PHE 59 1HD PHE 59 -0.853 -6.429 -7.133 474 HE1 PHE 59 2HE PHE 59 -1.622 -4.222 -2.805 475 HE2 PHE 59 1HE PHE 59 -3.138 -6.241 -6.240 476 HZ PHE 59 HZ PHE 59 -3.525 -5.137 -4.073 477 H ILE 60 H ILE 60 4.018 -4.558 -5.972 478 HA ILE 60 HA ILE 60 5.523 -5.924 -7.835 479 HB ILE 60 HB ILE 60 6.534 -3.725 -6.028 480 HG12 ILE 60 1HG1 ILE 60 5.133 -3.572 -8.706 481 HG13 ILE 60 2HG1 ILE 60 4.444 -3.101 -7.156 482 HG21 ILE 60 1HG2 ILE 60 7.835 -3.281 -8.275 483 HG22 ILE 60 2HG2 ILE 60 8.439 -4.426 -7.079 484 HG23 ILE 60 3HG2 ILE 60 7.574 -5.010 -8.500 485 HD11 ILE 60 3HD1 ILE 60 5.234 -1.063 -7.451 486 HD12 ILE 60 1HD1 ILE 60 6.877 -1.704 -7.453 487 HD13 ILE 60 2HD1 ILE 60 5.986 -1.556 -8.968 488 H LYS 61 H LYS 61 6.194 -5.519 -4.369 489 HA LYS 61 HA LYS 61 8.630 -6.623 -4.053 490 HB2 LYS 61 1HB LYS 61 7.218 -5.868 -2.187 491 HB3 LYS 61 2HB LYS 61 6.205 -7.294 -2.375 492 HG2 LYS 61 1HG LYS 61 8.199 -8.696 -1.873 493 HG3 LYS 61 2HG LYS 61 9.091 -7.214 -1.523 494 HD2 LYS 61 1HD LYS 61 7.023 -6.760 0.057 495 HD3 LYS 61 2HD LYS 61 6.890 -8.519 -0.000 496 HE2 LYS 61 1HE LYS 61 9.109 -8.780 0.852 497 HE3 LYS 61 2HE LYS 61 9.428 -7.053 0.700 498 HZ1 LYS 61 3HZ LYS 61 7.143 -7.739 2.339 499 HZ2 LYS 61 1HZ LYS 61 8.370 -6.606 2.609 500 HZ3 LYS 61 2HZ LYS 61 8.636 -8.239 2.959 501 H LEU 62 H LEU 62 5.643 -8.423 -4.644 502 HA LEU 62 HA LEU 62 6.259 -10.995 -4.255 503 HB2 LEU 62 1HB LEU 62 4.943 -9.744 -6.647 504 HB3 LEU 62 2HB LEU 62 5.064 -11.492 -6.455 505 HG LEU 62 HG LEU 62 3.799 -9.826 -4.313 506 HD11 LEU 62 1HD1 LEU 62 2.894 -9.732 -6.914 507 HD12 LEU 62 2HD1 LEU 62 1.945 -9.394 -5.467 508 HD13 LEU 62 3HD1 LEU 62 1.916 -11.005 -6.184 509 HD21 LEU 62 3HD2 LEU 62 2.980 -12.556 -5.211 510 HD22 LEU 62 1HD2 LEU 62 2.845 -11.809 -3.619 511 HD23 LEU 62 2HD2 LEU 62 4.416 -12.352 -4.207 512 H THR 63 H THR 63 7.348 -9.136 -7.081 513 HA THR 63 HA THR 63 8.615 -10.888 -8.639 514 HB THR 63 HB THR 63 8.746 -8.418 -8.916 515 HG1 THR 63 1HG THR 63 11.220 -9.832 -9.063 516 HG21 THR 63 3HG2 THR 63 11.071 -7.619 -7.795 517 HG22 THR 63 1HG2 THR 63 10.477 -8.711 -6.545 518 HG23 THR 63 2HG2 THR 63 9.489 -7.346 -7.067 519 H LYS 64 H LYS 64 10.627 -11.937 -8.768 520 HA LYS 64 HA LYS 64 12.040 -12.255 -6.202 521 HB2 LYS 64 1HB LYS 64 11.242 -14.369 -8.201 522 HB3 LYS 64 2HB LYS 64 12.473 -14.641 -6.974 523 HG2 LYS 64 1HG LYS 64 10.739 -14.023 -5.257 524 HG3 LYS 64 2HG LYS 64 9.551 -14.076 -6.561 525 HD2 LYS 64 1HD LYS 64 11.384 -16.392 -6.039 526 HD3 LYS 64 2HD LYS 64 9.891 -16.185 -5.119 527 HE2 LYS 64 1HE LYS 64 9.975 -16.204 -8.127 528 HE3 LYS 64 2HE LYS 64 9.751 -17.665 -7.167 529 HZ1 LYS 64 3HZ LYS 64 8.000 -15.364 -6.667 530 HZ2 LYS 64 1HZ LYS 64 7.682 -17.017 -6.490 531 HZ3 LYS 64 2HZ LYS 64 7.711 -16.321 -8.032 532 H ALA 65 H ALA 65 12.921 -10.378 -7.934 533 HA ALA 65 HA ALA 65 15.436 -11.554 -8.867 534 HB1 ALA 65 3HB ALA 65 15.071 -11.158 -11.020 535 HB2 ALA 65 1HB ALA 65 13.406 -10.735 -10.619 536 HB3 ALA 65 2HB ALA 65 14.644 -9.480 -10.684 537 H GLY 66 H GLY 66 17.215 -10.189 -8.755 538 HA2 GLY 66 1HA GLY 66 18.488 -8.448 -7.969 539 HA3 GLY 66 2HA GLY 66 17.120 -7.411 -8.345 540 H ILE 67 H ILE 67 16.928 -10.080 -6.088 541 HA ILE 67 HA ILE 67 16.908 -8.169 -3.852 542 HB ILE 67 HB ILE 67 14.907 -10.388 -4.291 543 HG12 ILE 67 1HG1 ILE 67 14.433 -7.413 -4.062 544 HG13 ILE 67 2HG1 ILE 67 14.600 -8.251 -5.601 545 HG21 ILE 67 1HG2 ILE 67 14.868 -8.420 -2.030 546 HG22 ILE 67 2HG2 ILE 67 14.006 -9.950 -2.184 547 HG23 ILE 67 3HG2 ILE 67 15.747 -9.944 -1.907 548 HD11 ILE 67 3HD1 ILE 67 12.274 -7.919 -5.082 549 HD12 ILE 67 1HD1 ILE 67 12.657 -9.639 -5.027 550 HD13 ILE 67 2HD1 ILE 67 12.474 -8.727 -3.528 551 HA PRO 68 HA PRO 68 19.689 -11.051 -2.003 552 HB2 PRO 68 1HB PRO 68 19.498 -10.183 0.562 553 HB3 PRO 68 2HB PRO 68 20.379 -9.298 -0.688 554 HG2 PRO 68 1HG PRO 68 17.618 -8.834 0.371 555 HG3 PRO 68 2HG PRO 68 18.886 -7.652 -0.003 556 HD2 PRO 68 1HD PRO 68 16.816 -8.146 -1.677 557 HD3 PRO 68 2HD PRO 68 18.429 -7.687 -2.262 558 H VAL 69 H VAL 69 19.154 -13.125 -1.746 559 HA VAL 69 HA VAL 69 16.759 -14.215 -1.024 560 HB VAL 69 HB VAL 69 19.485 -15.367 -0.411 561 HG11 VAL 69 1HG1 VAL 69 17.392 -17.270 -1.000 562 HG12 VAL 69 2HG1 VAL 69 18.499 -17.203 0.373 563 HG13 VAL 69 3HG1 VAL 69 16.991 -16.289 0.409 564 HG21 VAL 69 3HG2 VAL 69 17.912 -15.071 -2.873 565 HG22 VAL 69 1HG2 VAL 69 19.645 -15.312 -2.652 566 HG23 VAL 69 2HG2 VAL 69 18.548 -16.692 -2.591 567 H SER 70 H SER 70 15.634 -14.558 0.799 568 HA SER 70 HA SER 70 16.913 -14.477 3.394 569 HB2 SER 70 1HB SER 70 16.422 -12.074 2.805 570 HB3 SER 70 2HB SER 70 14.709 -12.494 2.795 571 HG SER 70 HG SER 70 14.881 -13.059 4.973 572 H GLY 71 H GLY 71 15.912 -15.801 4.792 573 HA2 GLY 71 1HA GLY 71 14.191 -17.001 5.791 574 HA3 GLY 71 2HA GLY 71 13.075 -16.324 4.615 575 HA PRO 72 HA PRO 72 14.627 -20.769 3.572 576 HB2 PRO 72 1HB PRO 72 12.858 -22.298 4.952 577 HB3 PRO 72 2HB PRO 72 14.429 -21.819 5.606 578 HG2 PRO 72 1HG PRO 72 11.727 -20.629 6.104 579 HG3 PRO 72 2HG PRO 72 13.027 -20.976 7.259 580 HD2 PRO 72 1HD PRO 72 12.567 -18.491 6.286 581 HD3 PRO 72 2HD PRO 72 14.192 -19.063 6.714 582 H SER 73 H SER 73 11.652 -19.053 3.767 583 HA SER 73 HA SER 73 10.089 -20.825 2.158 584 HB2 SER 73 1HB SER 73 9.759 -18.014 3.150 585 HB3 SER 73 2HB SER 73 8.679 -18.630 1.900 586 HG SER 73 HG SER 73 7.697 -19.787 3.351 587 H SER 74 H SER 74 11.035 -17.478 1.398 588 HA SER 74 HA SER 74 10.733 -17.786 -1.378 589 HB2 SER 74 1HB SER 74 11.820 -15.618 -1.571 590 HB3 SER 74 2HB SER 74 10.716 -15.598 -0.196 591 HG SER 74 HG SER 74 13.415 -15.266 -0.258 592 H GLY 75 H GLY 75 13.734 -17.540 0.543 593 HA2 GLY 75 1HA GLY 75 15.405 -18.251 -1.660 594 HA3 GLY 75 2HA GLY 75 15.895 -18.148 0.024 Start of MODEL 20 1 H1 GLY 1 H GLY 1 6.116 -12.828 17.481 2 HA2 GLY 1 1HA GLY 1 5.106 -10.164 16.694 3 HA3 GLY 1 2HA GLY 1 5.737 -10.500 18.299 4 H SER 2 H SER 2 7.090 -8.593 17.681 5 HA SER 2 HA SER 2 9.441 -9.459 16.129 6 HB2 SER 2 1HB SER 2 8.308 -6.679 16.509 7 HB3 SER 2 2HB SER 2 9.857 -7.019 15.738 8 HG SER 2 HG SER 2 8.851 -7.681 14.001 9 H SER 3 H SER 3 11.430 -8.037 16.801 10 HA SER 3 HA SER 3 11.661 -8.301 19.716 11 HB2 SER 3 1HB SER 3 14.092 -8.393 19.332 12 HB3 SER 3 2HB SER 3 13.251 -9.626 18.393 13 HG SER 3 HG SER 3 13.301 -7.704 16.755 14 H GLY 4 H GLY 4 13.431 -6.738 20.624 15 HA2 GLY 4 1HA GLY 4 12.400 -4.085 20.257 16 HA3 GLY 4 2HA GLY 4 13.691 -4.561 21.352 17 H SER 5 H SER 5 13.146 -2.486 19.028 18 HA SER 5 HA SER 5 15.904 -2.237 18.312 19 HB2 SER 5 1HB SER 5 15.225 -3.972 16.699 20 HB3 SER 5 2HB SER 5 13.936 -2.921 16.114 21 HG SER 5 HG SER 5 15.734 -1.382 15.686 22 H SER 6 H SER 6 16.397 -0.222 17.421 23 HA SER 6 HA SER 6 14.558 1.856 18.041 24 HB2 SER 6 1HB SER 6 17.282 1.779 16.770 25 HB3 SER 6 2HB SER 6 16.361 3.281 16.833 26 HG SER 6 HG SER 6 17.271 1.695 18.994 27 H GLY 7 H GLY 7 13.411 3.227 16.705 28 HA2 GLY 7 1HA GLY 7 12.652 4.083 14.647 29 HA3 GLY 7 2HA GLY 7 13.494 2.781 13.820 30 H ASN 8 H ASN 8 12.189 1.385 12.865 31 HA ASN 8 HA ASN 8 10.438 -0.014 12.458 32 HB2 ASN 8 1HB ASN 8 9.580 0.478 15.314 33 HB3 ASN 8 2HB ASN 8 9.147 -0.888 14.290 34 HD21 ASN 8 1HD2 ASN 8 10.100 -1.552 16.630 35 HD22 ASN 8 2HD2 ASN 8 11.736 -2.100 16.541 36 H GLN 9 H GLN 9 10.228 2.696 11.790 37 HA GLN 9 HA GLN 9 7.556 3.566 12.518 38 HB2 GLN 9 1HB GLN 9 9.593 4.799 10.656 39 HB3 GLN 9 2HB GLN 9 8.070 5.541 11.128 40 HG2 GLN 9 1HG GLN 9 8.901 5.353 13.522 41 HG3 GLN 9 2HG GLN 9 10.480 4.993 12.825 42 HE21 GLN 9 1HE2 GLN 9 8.334 7.407 13.765 43 HE22 GLN 9 2HE2 GLN 9 9.172 8.763 13.100 44 H LEU 10 H LEU 10 7.540 1.125 11.190 45 HA LEU 10 HA LEU 10 6.653 1.766 8.467 46 HB2 LEU 10 1HB LEU 10 7.670 -0.681 9.810 47 HB3 LEU 10 2HB LEU 10 6.527 -0.884 8.484 48 HG LEU 10 HG LEU 10 8.961 0.803 8.082 49 HD11 LEU 10 1HD1 LEU 10 8.956 -2.184 7.723 50 HD12 LEU 10 2HD1 LEU 10 9.650 -1.377 9.128 51 HD13 LEU 10 3HD1 LEU 10 10.305 -1.066 7.520 52 HD21 LEU 10 3HD2 LEU 10 6.947 0.440 6.464 53 HD22 LEU 10 1HD2 LEU 10 7.740 -1.100 6.132 54 HD23 LEU 10 2HD2 LEU 10 8.597 0.414 5.840 55 H TRP 11 H TRP 11 4.681 0.740 7.672 56 HA TRP 11 HA TRP 11 2.409 1.370 8.969 57 HB2 TRP 11 1HB TRP 11 2.950 -0.908 7.076 58 HB3 TRP 11 2HB TRP 11 1.329 -0.589 7.688 59 HD1 TRP 11 HD TRP 11 4.100 1.611 6.057 60 HE1 TRP 11 1HE TRP 11 2.968 3.128 4.313 61 HE3 TRP 11 3HE TRP 11 -0.736 0.065 6.656 62 HZ2 TRP 11 2HZ TRP 11 0.369 3.606 3.322 63 HZ3 TRP 11 3HZ TRP 11 -2.485 1.103 5.271 64 HH2 TRP 11 HH TRP 11 -1.943 2.837 3.640 65 H THR 12 H THR 12 1.097 0.579 10.536 66 HA THR 12 HA THR 12 2.170 -1.607 12.153 67 HB THR 12 HB THR 12 1.554 0.584 13.217 68 HG1 THR 12 1HG THR 12 0.116 -0.646 14.848 69 HG21 THR 12 3HG2 THR 12 -0.554 0.807 11.787 70 HG22 THR 12 1HG2 THR 12 -0.692 1.234 13.492 71 HG23 THR 12 2HG2 THR 12 -1.299 -0.320 12.921 72 H VAL 13 H VAL 13 0.462 -3.018 13.242 73 HA VAL 13 HA VAL 13 -0.777 -4.643 11.389 74 HB VAL 13 HB VAL 13 -0.368 -5.409 13.648 75 HG11 VAL 13 1HG1 VAL 13 -1.450 -4.591 15.567 76 HG12 VAL 13 2HG1 VAL 13 -0.961 -3.152 14.670 77 HG13 VAL 13 3HG1 VAL 13 -2.638 -3.697 14.619 78 HG21 VAL 13 3HG2 VAL 13 -2.683 -5.890 12.181 79 HG22 VAL 13 1HG2 VAL 13 -2.021 -6.891 13.473 80 HG23 VAL 13 2HG2 VAL 13 -3.241 -5.672 13.839 81 H GLU 14 H GLU 14 -2.210 -2.010 13.292 82 HA GLU 14 HA GLU 14 -4.856 -2.294 12.506 83 HB2 GLU 14 1HB GLU 14 -3.214 0.075 13.338 84 HB3 GLU 14 2HB GLU 14 -4.883 0.290 12.829 85 HG2 GLU 14 1HG GLU 14 -4.144 -1.677 14.962 86 HG3 GLU 14 2HG GLU 14 -4.401 0.028 15.325 87 H GLU 15 H GLU 15 -2.541 0.048 11.126 88 HA GLU 15 HA GLU 15 -4.079 0.840 8.964 89 HB2 GLU 15 1HB GLU 15 -1.112 0.728 9.410 90 HB3 GLU 15 2HB GLU 15 -1.765 1.274 7.872 91 HG2 GLU 15 1HG GLU 15 -1.569 3.270 8.928 92 HG3 GLU 15 2HG GLU 15 -3.204 2.838 9.428 93 H GLN 16 H GLN 16 -1.649 -1.753 9.097 94 HA GLN 16 HA GLN 16 -1.513 -2.636 6.562 95 HB2 GLN 16 1HB GLN 16 -1.679 -4.144 9.144 96 HB3 GLN 16 2HB GLN 16 -1.612 -5.030 7.626 97 HG2 GLN 16 1HG GLN 16 0.451 -3.535 7.143 98 HG3 GLN 16 2HG GLN 16 0.449 -3.280 8.887 99 HE21 GLN 16 1HE2 GLN 16 0.796 -5.056 10.261 100 HE22 GLN 16 2HE2 GLN 16 1.564 -6.496 9.694 101 H LYS 17 H LYS 17 -3.934 -4.047 8.769 102 HA LYS 17 HA LYS 17 -5.466 -5.236 6.746 103 HB2 LYS 17 1HB LYS 17 -7.225 -5.446 8.470 104 HB3 LYS 17 2HB LYS 17 -5.647 -5.956 9.054 105 HG2 LYS 17 1HG LYS 17 -5.387 -3.750 10.146 106 HG3 LYS 17 2HG LYS 17 -7.029 -3.346 9.641 107 HD2 LYS 17 1HD LYS 17 -7.461 -4.138 11.740 108 HD3 LYS 17 2HD LYS 17 -7.573 -5.647 10.831 109 HE2 LYS 17 1HE LYS 17 -4.972 -4.747 12.018 110 HE3 LYS 17 2HE LYS 17 -6.167 -5.597 12.997 111 HZ1 LYS 17 3HZ LYS 17 -4.390 -6.620 10.992 112 HZ2 LYS 17 1HZ LYS 17 -5.992 -7.110 10.751 113 HZ3 LYS 17 2HZ LYS 17 -5.219 -7.438 12.219 114 H LYS 18 H LYS 18 -5.551 -2.029 8.149 115 HA LYS 18 HA LYS 18 -8.061 -1.204 7.199 116 HB2 LYS 18 1HB LYS 18 -6.758 0.032 8.890 117 HB3 LYS 18 2HB LYS 18 -5.581 0.465 7.657 118 HG2 LYS 18 1HG LYS 18 -6.817 2.357 7.625 119 HG3 LYS 18 2HG LYS 18 -7.761 1.415 6.468 120 HD2 LYS 18 1HD LYS 18 -8.448 1.145 9.343 121 HD3 LYS 18 2HD LYS 18 -8.874 2.660 8.542 122 HE2 LYS 18 1HE LYS 18 -10.070 1.390 6.813 123 HE3 LYS 18 2HE LYS 18 -9.661 -0.111 7.642 124 HZ1 LYS 18 3HZ LYS 18 -11.036 1.973 9.169 125 HZ2 LYS 18 1HZ LYS 18 -11.144 0.290 9.300 126 HZ3 LYS 18 2HZ LYS 18 -11.941 1.093 8.043 127 H LEU 19 H LEU 19 -4.935 -1.427 5.651 128 HA LEU 19 HA LEU 19 -5.850 0.003 3.292 129 HB2 LEU 19 1HB LEU 19 -3.640 0.507 3.694 130 HB3 LEU 19 2HB LEU 19 -3.256 -1.129 4.226 131 HG LEU 19 HG LEU 19 -3.429 -1.860 1.840 132 HD11 LEU 19 1HD1 LEU 19 -4.839 0.075 1.127 133 HD12 LEU 19 2HD1 LEU 19 -3.455 -0.248 0.084 134 HD13 LEU 19 3HD1 LEU 19 -3.400 1.090 1.232 135 HD21 LEU 19 3HD2 LEU 19 -1.269 -1.456 2.853 136 HD22 LEU 19 1HD2 LEU 19 -1.397 0.268 2.503 137 HD23 LEU 19 2HD2 LEU 19 -1.261 -0.891 1.181 138 H GLU 20 H GLU 20 -4.886 -3.282 4.211 139 HA GLU 20 HA GLU 20 -5.073 -4.512 1.730 140 HB2 GLU 20 1HB GLU 20 -5.653 -5.583 4.491 141 HB3 GLU 20 2HB GLU 20 -5.613 -6.595 3.055 142 HG2 GLU 20 1HG GLU 20 -3.265 -5.768 2.679 143 HG3 GLU 20 2HG GLU 20 -3.351 -5.051 4.287 144 H GLN 21 H GLN 21 -7.604 -3.873 4.120 145 HA GLN 21 HA GLN 21 -9.673 -5.222 2.739 146 HB2 GLN 21 1HB GLN 21 -9.711 -3.050 4.831 147 HB3 GLN 21 2HB GLN 21 -11.176 -3.781 4.191 148 HG2 GLN 21 1HG GLN 21 -10.108 -6.015 4.892 149 HG3 GLN 21 2HG GLN 21 -9.039 -5.017 5.876 150 HE21 GLN 21 1HE2 GLN 21 -12.009 -6.569 5.703 151 HE22 GLN 21 2HE2 GLN 21 -12.738 -5.887 7.113 152 H LEU 22 H LEU 22 -8.809 -1.774 2.927 153 HA LEU 22 HA LEU 22 -10.803 -0.808 1.229 154 HB2 LEU 22 1HB LEU 22 -8.047 0.195 1.878 155 HB3 LEU 22 2HB LEU 22 -9.139 1.076 0.811 156 HG LEU 22 HG LEU 22 -9.894 0.350 3.630 157 HD11 LEU 22 1HD1 LEU 22 -9.223 3.098 3.404 158 HD12 LEU 22 2HD1 LEU 22 -7.849 2.148 2.839 159 HD13 LEU 22 3HD1 LEU 22 -8.509 1.870 4.451 160 HD21 LEU 22 3HD2 LEU 22 -11.156 2.650 3.031 161 HD22 LEU 22 1HD2 LEU 22 -11.840 1.052 2.732 162 HD23 LEU 22 2HD2 LEU 22 -11.048 1.931 1.424 163 H LEU 23 H LEU 23 -7.532 -1.958 0.501 164 HA LEU 23 HA LEU 23 -7.303 -1.320 -2.152 165 HB2 LEU 23 1HB LEU 23 -6.411 -3.734 -0.613 166 HB3 LEU 23 2HB LEU 23 -6.050 -3.559 -2.329 167 HG LEU 23 HG LEU 23 -5.201 -1.590 -0.208 168 HD11 LEU 23 1HD1 LEU 23 -3.854 -4.008 -1.341 169 HD12 LEU 23 2HD1 LEU 23 -3.960 -3.468 0.334 170 HD13 LEU 23 3HD1 LEU 23 -2.907 -2.622 -0.800 171 HD21 LEU 23 3HD2 LEU 23 -5.308 -1.438 -3.028 172 HD22 LEU 23 1HD2 LEU 23 -3.611 -1.593 -2.572 173 HD23 LEU 23 2HD2 LEU 23 -4.590 -0.290 -1.897 174 H ILE 24 H ILE 24 -9.042 -4.063 -0.745 175 HA ILE 24 HA ILE 24 -9.761 -5.279 -3.192 176 HB ILE 24 HB ILE 24 -11.177 -5.421 -0.527 177 HG12 ILE 24 1HG1 ILE 24 -9.388 -7.557 -1.620 178 HG13 ILE 24 2HG1 ILE 24 -8.665 -6.153 -0.843 179 HG21 ILE 24 1HG2 ILE 24 -12.016 -7.602 -1.436 180 HG22 ILE 24 2HG2 ILE 24 -12.670 -6.166 -2.223 181 HG23 ILE 24 3HG2 ILE 24 -11.403 -7.104 -3.013 182 HD11 ILE 24 3HD1 ILE 24 -8.872 -7.882 0.776 183 HD12 ILE 24 1HD1 ILE 24 -10.059 -6.637 1.160 184 HD13 ILE 24 2HD1 ILE 24 -10.571 -8.131 0.374 185 H LYS 25 H LYS 25 -11.614 -3.162 -1.005 186 HA LYS 25 HA LYS 25 -13.945 -2.990 -2.508 187 HB2 LYS 25 1HB LYS 25 -13.825 -2.149 -0.236 188 HB3 LYS 25 2HB LYS 25 -12.663 -0.920 -0.716 189 HG2 LYS 25 1HG LYS 25 -14.575 -0.177 -2.340 190 HG3 LYS 25 2HG LYS 25 -15.598 -1.046 -1.194 191 HD2 LYS 25 1HD LYS 25 -14.385 0.327 0.611 192 HD3 LYS 25 2HD LYS 25 -13.862 1.357 -0.724 193 HE2 LYS 25 1HE LYS 25 -15.803 2.400 -0.007 194 HE3 LYS 25 2HE LYS 25 -16.371 1.409 -1.350 195 HZ1 LYS 25 3HZ LYS 25 -17.091 -0.264 0.247 196 HZ2 LYS 25 1HZ LYS 25 -17.839 1.223 0.550 197 HZ3 LYS 25 2HZ LYS 25 -16.562 0.704 1.529 198 H TYR 26 H TYR 26 -10.939 -1.173 -2.779 199 HA TYR 26 HA TYR 26 -12.035 0.271 -5.091 200 HB2 TYR 26 1HB TYR 26 -9.721 0.819 -3.247 201 HB3 TYR 26 2HB TYR 26 -9.853 1.620 -4.808 202 HD1 TYR 26 1HD TYR 26 -11.974 2.968 -5.276 203 HD2 TYR 26 2HD TYR 26 -10.877 1.643 -1.385 204 HE1 TYR 26 1HE TYR 26 -13.460 4.660 -4.288 205 HE2 TYR 26 2HE TYR 26 -12.361 3.331 -0.385 206 HH TYR 26 HH TYR 26 -14.611 4.613 -1.362 207 HA PRO 27 HA PRO 27 -9.552 -2.903 -7.221 208 HB2 PRO 27 1HB PRO 27 -10.978 -2.758 -9.526 209 HB3 PRO 27 2HB PRO 27 -11.491 -3.725 -8.139 210 HG2 PRO 27 1HG PRO 27 -12.399 -1.002 -8.988 211 HG3 PRO 27 2HG PRO 27 -13.362 -2.371 -8.402 212 HD2 PRO 27 1HD PRO 27 -12.679 -0.285 -6.817 213 HD3 PRO 27 2HD PRO 27 -12.866 -1.937 -6.193 214 HA PRO 28 HA PRO 28 -6.896 -0.309 -9.580 215 HB2 PRO 28 1HB PRO 28 -6.079 -1.992 -11.547 216 HB3 PRO 28 2HB PRO 28 -5.540 -2.141 -9.870 217 HG2 PRO 28 1HG PRO 28 -7.679 -3.659 -11.314 218 HG3 PRO 28 2HG PRO 28 -6.440 -4.260 -10.195 219 HD2 PRO 28 1HD PRO 28 -9.002 -3.822 -9.434 220 HD3 PRO 28 2HD PRO 28 -7.628 -3.606 -8.331 221 H GLU 29 H GLU 29 -7.423 1.308 -10.899 222 HA GLU 29 HA GLU 29 -9.202 0.744 -13.178 223 HB2 GLU 29 1HB GLU 29 -9.600 3.310 -13.003 224 HB3 GLU 29 2HB GLU 29 -10.408 2.232 -11.873 225 HG2 GLU 29 1HG GLU 29 -7.773 3.347 -11.091 226 HG3 GLU 29 2HG GLU 29 -9.171 4.420 -11.079 227 H GLU 30 H GLU 30 -8.926 2.871 -14.742 228 HA GLU 30 HA GLU 30 -6.680 2.429 -16.250 229 HB2 GLU 30 1HB GLU 30 -8.558 3.682 -17.117 230 HB3 GLU 30 2HB GLU 30 -8.273 4.980 -15.966 231 HG2 GLU 30 1HG GLU 30 -5.960 5.160 -17.101 232 HG3 GLU 30 2HG GLU 30 -6.714 4.247 -18.406 233 H VAL 31 H VAL 31 -7.124 4.984 -13.814 234 HA VAL 31 HA VAL 31 -4.210 5.413 -13.835 235 HB VAL 31 HB VAL 31 -6.493 7.230 -13.111 236 HG11 VAL 31 1HG1 VAL 31 -5.074 7.590 -11.283 237 HG12 VAL 31 2HG1 VAL 31 -3.618 7.425 -12.267 238 HG13 VAL 31 3HG1 VAL 31 -4.639 8.855 -12.432 239 HG21 VAL 31 3HG2 VAL 31 -6.001 8.274 -15.020 240 HG22 VAL 31 1HG2 VAL 31 -4.280 8.315 -14.637 241 HG23 VAL 31 2HG2 VAL 31 -4.978 6.891 -15.408 242 H GLU 32 H GLU 32 -3.094 5.616 -11.849 243 HA GLU 32 HA GLU 32 -4.356 4.115 -9.670 244 HB2 GLU 32 1HB GLU 32 -2.080 3.758 -8.838 245 HB3 GLU 32 2HB GLU 32 -2.237 3.231 -10.508 246 HG2 GLU 32 1HG GLU 32 -1.234 5.393 -11.217 247 HG3 GLU 32 2HG GLU 32 -0.947 5.761 -9.517 248 H SER 33 H SER 33 -2.937 7.203 -10.453 249 HA SER 33 HA SER 33 -2.390 8.287 -7.994 250 HB2 SER 33 1HB SER 33 -1.954 9.504 -10.053 251 HB3 SER 33 2HB SER 33 -3.683 9.645 -10.372 252 HG SER 33 HG SER 33 -3.673 10.742 -8.195 253 H ARG 34 H ARG 34 -5.485 8.843 -9.680 254 HA ARG 34 HA ARG 34 -6.860 9.878 -7.500 255 HB2 ARG 34 1HB ARG 34 -8.890 8.769 -8.857 256 HB3 ARG 34 2HB ARG 34 -8.075 10.235 -9.387 257 HG2 ARG 34 1HG ARG 34 -6.863 7.732 -10.329 258 HG3 ARG 34 2HG ARG 34 -8.486 8.063 -10.939 259 HD2 ARG 34 1HD ARG 34 -5.996 9.715 -11.232 260 HD3 ARG 34 2HD ARG 34 -7.030 9.050 -12.496 261 HE ARG 34 HE ARG 34 -8.705 10.718 -11.242 262 HH11 ARG 34 1HH1 ARG 34 -5.445 11.145 -12.387 263 HH12 ARG 34 2HH1 ARG 34 -5.639 12.838 -12.702 264 HH21 ARG 34 1HH2 ARG 34 -8.972 12.945 -11.652 265 HH22 ARG 34 2HH2 ARG 34 -7.645 13.861 -12.283 266 H ARG 35 H ARG 35 -6.558 6.523 -8.588 267 HA ARG 35 HA ARG 35 -8.371 5.298 -6.900 268 HB2 ARG 35 1HB ARG 35 -7.281 4.033 -8.625 269 HB3 ARG 35 2HB ARG 35 -5.700 4.322 -7.912 270 HG2 ARG 35 1HG ARG 35 -6.555 3.050 -5.884 271 HG3 ARG 35 2HG ARG 35 -7.900 2.548 -6.910 272 HD2 ARG 35 1HD ARG 35 -6.409 1.481 -8.451 273 HD3 ARG 35 2HD ARG 35 -5.001 2.142 -7.620 274 HE ARG 35 HE ARG 35 -6.366 0.655 -5.742 275 HH11 ARG 35 1HH1 ARG 35 -4.839 0.083 -8.818 276 HH12 ARG 35 2HH1 ARG 35 -4.418 -1.558 -8.451 277 HH21 ARG 35 1HH2 ARG 35 -5.818 -1.503 -5.247 278 HH22 ARG 35 2HH2 ARG 35 -4.977 -2.459 -6.420 279 H TRP 36 H TRP 36 -5.086 6.377 -6.232 280 HA TRP 36 HA TRP 36 -4.941 5.198 -3.637 281 HB2 TRP 36 1HB TRP 36 -3.322 7.526 -4.684 282 HB3 TRP 36 2HB TRP 36 -2.891 6.428 -3.375 283 HD1 TRP 36 HD TRP 36 -1.692 7.044 -6.597 284 HE1 TRP 36 1HE TRP 36 -0.846 4.937 -7.808 285 HE3 TRP 36 3HE TRP 36 -3.943 3.483 -3.700 286 HZ2 TRP 36 2HZ TRP 36 -1.099 2.135 -7.568 287 HZ3 TRP 36 3HZ TRP 36 -3.590 1.112 -4.259 288 HH2 TRP 36 HH TRP 36 -2.198 0.455 -6.153 289 H GLN 37 H GLN 37 -6.186 8.176 -4.910 290 HA GLN 37 HA GLN 37 -6.196 9.674 -2.508 291 HB2 GLN 37 1HB GLN 37 -6.485 10.573 -4.855 292 HB3 GLN 37 2HB GLN 37 -8.135 9.967 -4.801 293 HG2 GLN 37 1HG GLN 37 -7.906 12.384 -4.282 294 HG3 GLN 37 2HG GLN 37 -8.702 11.441 -3.024 295 HE21 GLN 37 1HE2 GLN 37 -7.768 11.257 -1.040 296 HE22 GLN 37 2HE2 GLN 37 -6.346 12.116 -0.569 297 H LYS 38 H LYS 38 -8.586 7.563 -4.041 298 HA LYS 38 HA LYS 38 -10.688 8.034 -2.231 299 HB2 LYS 38 1HB LYS 38 -10.077 5.581 -3.890 300 HB3 LYS 38 2HB LYS 38 -11.601 5.879 -3.064 301 HG2 LYS 38 1HG LYS 38 -12.221 7.550 -4.523 302 HG3 LYS 38 2HG LYS 38 -10.558 7.888 -5.008 303 HD2 LYS 38 1HD LYS 38 -10.512 5.649 -6.120 304 HD3 LYS 38 2HD LYS 38 -12.236 5.501 -5.769 305 HE2 LYS 38 1HE LYS 38 -11.983 6.292 -8.018 306 HE3 LYS 38 2HE LYS 38 -12.610 7.611 -7.031 307 HZ1 LYS 38 3HZ LYS 38 -10.015 7.334 -8.331 308 HZ2 LYS 38 1HZ LYS 38 -10.030 8.098 -6.821 309 HZ3 LYS 38 2HZ LYS 38 -10.963 8.714 -8.090 310 H ILE 39 H ILE 39 -8.364 5.331 -2.366 311 HA ILE 39 HA ILE 39 -9.172 4.053 -0.024 312 HB ILE 39 HB ILE 39 -6.500 4.138 -1.409 313 HG12 ILE 39 1HG1 ILE 39 -8.313 1.764 -1.097 314 HG13 ILE 39 2HG1 ILE 39 -8.643 2.973 -2.333 315 HG21 ILE 39 1HG2 ILE 39 -6.131 3.750 0.982 316 HG22 ILE 39 2HG2 ILE 39 -7.276 2.411 0.938 317 HG23 ILE 39 3HG2 ILE 39 -5.770 2.313 0.025 318 HD11 ILE 39 3HD1 ILE 39 -7.417 1.234 -3.359 319 HD12 ILE 39 1HD1 ILE 39 -6.313 2.596 -3.175 320 HD13 ILE 39 2HD1 ILE 39 -6.216 1.227 -2.068 321 H ALA 40 H ALA 40 -6.612 6.478 -0.495 322 HA ALA 40 HA ALA 40 -5.642 6.616 2.091 323 HB1 ALA 40 3HB ALA 40 -4.625 7.763 0.174 324 HB2 ALA 40 1HB ALA 40 -5.959 8.917 0.167 325 HB3 ALA 40 2HB ALA 40 -4.859 8.848 1.544 326 H ASP 41 H ASP 41 -8.147 8.723 0.666 327 HA ASP 41 HA ASP 41 -8.862 10.271 2.748 328 HB2 ASP 41 1HB ASP 41 -9.961 9.987 0.403 329 HB3 ASP 41 2HB ASP 41 -11.050 8.881 1.234 330 H GLU 42 H GLU 42 -10.020 6.943 2.260 331 HA GLU 42 HA GLU 42 -11.637 6.770 4.525 332 HB2 GLU 42 1HB GLU 42 -10.213 4.781 2.813 333 HB3 GLU 42 2HB GLU 42 -10.911 4.233 4.331 334 HG2 GLU 42 1HG GLU 42 -12.557 5.803 2.396 335 HG3 GLU 42 2HG GLU 42 -12.298 4.076 2.159 336 H LEU 43 H LEU 43 -8.280 5.623 4.146 337 HA LEU 43 HA LEU 43 -7.732 4.710 6.637 338 HB2 LEU 43 1HB LEU 43 -5.984 6.400 4.860 339 HB3 LEU 43 2HB LEU 43 -5.398 5.573 6.303 340 HG LEU 43 HG LEU 43 -6.745 3.989 4.160 341 HD11 LEU 43 1HD1 LEU 43 -4.618 5.644 3.547 342 HD12 LEU 43 2HD1 LEU 43 -5.128 4.215 2.650 343 HD13 LEU 43 3HD1 LEU 43 -3.863 4.084 3.871 344 HD21 LEU 43 3HD2 LEU 43 -6.206 2.439 5.674 345 HD22 LEU 43 1HD2 LEU 43 -5.115 3.528 6.529 346 HD23 LEU 43 2HD2 LEU 43 -4.546 2.643 5.113 347 H GLY 44 H GLY 44 -7.484 8.123 5.638 348 HA2 GLY 44 1HA GLY 44 -8.124 9.959 6.974 349 HA3 GLY 44 2HA GLY 44 -8.095 8.913 8.385 350 H ASN 45 H ASN 45 -5.467 7.823 7.833 351 HA ASN 45 HA ASN 45 -3.891 10.122 8.735 352 HB2 ASN 45 1HB ASN 45 -2.229 8.278 9.381 353 HB3 ASN 45 2HB ASN 45 -3.731 8.361 10.297 354 HD21 ASN 45 1HD2 ASN 45 -5.438 6.878 9.701 355 HD22 ASN 45 2HD2 ASN 45 -5.026 5.329 9.055 356 H ARG 46 H ARG 46 -3.381 7.225 6.711 357 HA ARG 46 HA ARG 46 -1.086 8.236 5.420 358 HB2 ARG 46 1HB ARG 46 -3.023 6.042 4.691 359 HB3 ARG 46 2HB ARG 46 -1.604 6.414 3.721 360 HG2 ARG 46 1HG ARG 46 -1.596 5.558 6.609 361 HG3 ARG 46 2HG ARG 46 -1.184 4.549 5.221 362 HD2 ARG 46 1HD ARG 46 0.592 6.306 4.694 363 HD3 ARG 46 2HD ARG 46 0.299 6.919 6.320 364 HE ARG 46 HE ARG 46 1.708 4.521 5.599 365 HH11 ARG 46 1HH1 ARG 46 -0.095 6.140 8.098 366 HH12 ARG 46 2HH1 ARG 46 0.620 5.228 9.386 367 HH21 ARG 46 1HH2 ARG 46 2.658 3.314 7.286 368 HH22 ARG 46 2HH2 ARG 46 2.187 3.622 8.923 369 H THR 47 H THR 47 -0.971 8.541 2.998 370 HA THR 47 HA THR 47 -3.313 10.034 2.016 371 HB THR 47 HB THR 47 -1.544 11.601 2.751 372 HG1 THR 47 1HG THR 47 -1.287 12.496 0.432 373 HG21 THR 47 3HG2 THR 47 0.392 10.144 2.298 374 HG22 THR 47 1HG2 THR 47 0.564 11.727 1.541 375 HG23 THR 47 2HG2 THR 47 0.110 10.327 0.568 376 H ALA 48 H ALA 48 -3.258 10.362 -0.379 377 HA ALA 48 HA ALA 48 -3.317 8.049 -1.795 378 HB1 ALA 48 3HB ALA 48 -3.304 10.849 -2.440 379 HB2 ALA 48 1HB ALA 48 -2.429 9.930 -3.666 380 HB3 ALA 48 2HB ALA 48 -4.097 9.511 -3.272 381 H LYS 49 H LYS 49 -0.500 10.138 -1.335 382 HA LYS 49 HA LYS 49 1.230 8.665 -3.039 383 HB2 LYS 49 1HB LYS 49 1.572 10.785 -0.966 384 HB3 LYS 49 2HB LYS 49 2.992 9.878 -1.471 385 HG2 LYS 49 1HG LYS 49 1.246 11.021 -3.582 386 HG3 LYS 49 2HG LYS 49 2.274 12.120 -2.659 387 HD2 LYS 49 1HD LYS 49 3.723 11.575 -4.336 388 HD3 LYS 49 2HD LYS 49 4.099 10.276 -3.201 389 HE2 LYS 49 1HE LYS 49 3.790 9.509 -5.547 390 HE3 LYS 49 2HE LYS 49 2.696 8.744 -4.395 391 HZ1 LYS 49 3HZ LYS 49 1.891 11.118 -5.964 392 HZ2 LYS 49 1HZ LYS 49 0.903 10.009 -5.154 393 HZ3 LYS 49 2HZ LYS 49 1.708 9.549 -6.568 394 H GLN 50 H GLN 50 1.499 9.005 0.499 395 HA GLN 50 HA GLN 50 3.211 7.000 1.068 396 HB2 GLN 50 1HB GLN 50 0.745 7.842 2.583 397 HB3 GLN 50 2HB GLN 50 1.900 6.684 3.229 398 HG2 GLN 50 1HG GLN 50 2.065 9.221 3.824 399 HG3 GLN 50 2HG GLN 50 3.516 8.259 3.554 400 HE21 GLN 50 1HE2 GLN 50 2.081 11.115 2.876 401 HE22 GLN 50 2HE2 GLN 50 2.901 11.520 1.410 402 H VAL 51 H VAL 51 -0.163 6.636 0.192 403 HA VAL 51 HA VAL 51 -0.331 3.856 0.822 404 HB VAL 51 HB VAL 51 -2.060 5.533 -1.003 405 HG11 VAL 51 1HG1 VAL 51 -3.353 3.751 -1.413 406 HG12 VAL 51 2HG1 VAL 51 -1.946 2.803 -0.928 407 HG13 VAL 51 3HG1 VAL 51 -3.220 3.155 0.241 408 HG21 VAL 51 3HG2 VAL 51 -1.773 5.803 1.687 409 HG22 VAL 51 1HG2 VAL 51 -3.239 6.201 0.790 410 HG23 VAL 51 2HG2 VAL 51 -3.094 4.638 1.595 411 H ALA 52 H ALA 52 0.316 5.706 -2.120 412 HA ALA 52 HA ALA 52 0.270 3.615 -3.966 413 HB1 ALA 52 3HB ALA 52 1.476 6.316 -3.871 414 HB2 ALA 52 1HB ALA 52 2.108 5.197 -5.080 415 HB3 ALA 52 2HB ALA 52 0.390 5.597 -5.061 416 H SER 53 H SER 53 2.980 4.894 -2.055 417 HA SER 53 HA SER 53 4.962 3.202 -3.094 418 HB2 SER 53 1HB SER 53 4.690 4.721 -0.512 419 HB3 SER 53 2HB SER 53 6.079 3.674 -0.801 420 HG SER 53 HG SER 53 5.304 5.632 -2.678 421 H GLN 54 H GLN 54 2.968 2.876 -0.166 422 HA GLN 54 HA GLN 54 3.978 0.515 0.827 423 HB2 GLN 54 1HB GLN 54 2.094 2.077 1.719 424 HB3 GLN 54 2HB GLN 54 1.019 1.009 0.828 425 HG2 GLN 54 1HG GLN 54 1.165 0.354 3.157 426 HG3 GLN 54 2HG GLN 54 1.832 -0.896 2.108 427 HE21 GLN 54 1HE2 GLN 54 2.686 -1.422 4.362 428 HE22 GLN 54 2HE2 GLN 54 4.243 -0.783 4.749 429 H VAL 55 H VAL 55 1.401 0.920 -1.587 430 HA VAL 55 HA VAL 55 0.727 -1.736 -1.977 431 HB VAL 55 HB VAL 55 0.816 0.506 -3.998 432 HG11 VAL 55 1HG1 VAL 55 0.483 -1.065 -5.545 433 HG12 VAL 55 2HG1 VAL 55 0.247 -2.323 -4.330 434 HG13 VAL 55 3HG1 VAL 55 -1.106 -1.302 -4.818 435 HG21 VAL 55 3HG2 VAL 55 -1.524 -0.660 -2.495 436 HG22 VAL 55 1HG2 VAL 55 -0.661 0.800 -2.014 437 HG23 VAL 55 2HG2 VAL 55 -1.529 0.754 -3.548 438 H GLN 56 H GLN 56 3.365 0.127 -3.418 439 HA GLN 56 HA GLN 56 4.255 -1.655 -5.328 440 HB2 GLN 56 1HB GLN 56 5.944 0.106 -3.543 441 HB3 GLN 56 2HB GLN 56 6.473 -0.620 -5.055 442 HG2 GLN 56 1HG GLN 56 4.248 1.386 -4.761 443 HG3 GLN 56 2HG GLN 56 5.884 1.735 -5.318 444 HE21 GLN 56 1HE2 GLN 56 6.128 1.822 -7.424 445 HE22 GLN 56 2HE2 GLN 56 5.149 1.021 -8.601 446 H LYS 57 H LYS 57 5.252 -1.480 -1.915 447 HA LYS 57 HA LYS 57 6.746 -3.947 -2.140 448 HB2 LYS 57 1HB LYS 57 6.200 -2.035 0.121 449 HB3 LYS 57 2HB LYS 57 7.006 -3.575 0.388 450 HG2 LYS 57 1HG LYS 57 8.718 -2.884 -1.290 451 HG3 LYS 57 2HG LYS 57 7.953 -1.294 -1.331 452 HD2 LYS 57 1HD LYS 57 8.258 -1.449 1.280 453 HD3 LYS 57 2HD LYS 57 9.525 -2.597 0.841 454 HE2 LYS 57 1HE LYS 57 10.782 -0.991 -0.249 455 HE3 LYS 57 2HE LYS 57 9.394 0.062 -0.516 456 HZ1 LYS 57 3HZ LYS 57 9.746 -0.224 2.241 457 HZ2 LYS 57 1HZ LYS 57 9.943 1.170 1.302 458 HZ3 LYS 57 2HZ LYS 57 11.257 0.140 1.575 459 H TYR 58 H TYR 58 3.744 -3.800 -2.478 460 HA TYR 58 HA TYR 58 3.059 -5.838 -0.462 461 HB2 TYR 58 1HB TYR 58 1.523 -3.505 -1.484 462 HB3 TYR 58 2HB TYR 58 0.623 -4.983 -1.161 463 HD1 TYR 58 1HD TYR 58 3.543 -3.576 0.672 464 HD2 TYR 58 2HD TYR 58 -0.611 -4.496 0.759 465 HE1 TYR 58 1HE TYR 58 3.472 -3.003 3.063 466 HE2 TYR 58 2HE TYR 58 -0.693 -3.924 3.149 467 HH TYR 58 HH TYR 58 2.158 -3.388 5.010 468 H PHE 59 H PHE 59 2.720 -4.771 -3.800 469 HA PHE 59 HA PHE 59 1.642 -7.409 -4.517 470 HB2 PHE 59 1HB PHE 59 1.636 -4.805 -6.055 471 HB3 PHE 59 2HB PHE 59 1.006 -6.330 -6.669 472 HD1 PHE 59 2HD PHE 59 0.673 -4.332 -3.530 473 HD2 PHE 59 1HD PHE 59 -1.272 -6.489 -6.642 474 HE1 PHE 59 2HE PHE 59 -1.508 -3.839 -2.504 475 HE2 PHE 59 1HE PHE 59 -3.456 -5.998 -5.621 476 HZ PHE 59 HZ PHE 59 -3.576 -4.673 -3.549 477 H ILE 60 H ILE 60 3.985 -4.981 -5.652 478 HA ILE 60 HA ILE 60 5.220 -6.578 -7.591 479 HB ILE 60 HB ILE 60 6.502 -4.380 -5.964 480 HG12 ILE 60 1HG1 ILE 60 5.133 -4.172 -8.651 481 HG13 ILE 60 2HG1 ILE 60 4.354 -3.762 -7.127 482 HG21 ILE 60 1HG2 ILE 60 7.638 -6.133 -7.796 483 HG22 ILE 60 2HG2 ILE 60 7.363 -4.650 -8.709 484 HG23 ILE 60 3HG2 ILE 60 8.319 -4.609 -7.228 485 HD11 ILE 60 3HD1 ILE 60 5.940 -2.125 -8.769 486 HD12 ILE 60 1HD1 ILE 60 5.222 -1.734 -7.207 487 HD13 ILE 60 2HD1 ILE 60 6.852 -2.403 -7.286 488 H LYS 61 H LYS 61 5.970 -6.112 -4.161 489 HA LYS 61 HA LYS 61 8.349 -7.473 -3.954 490 HB2 LYS 61 1HB LYS 61 7.348 -6.300 -2.071 491 HB3 LYS 61 2HB LYS 61 6.033 -7.466 -2.010 492 HG2 LYS 61 1HG LYS 61 7.863 -9.216 -1.611 493 HG3 LYS 61 2HG LYS 61 8.907 -7.838 -1.257 494 HD2 LYS 61 1HD LYS 61 7.291 -7.097 0.458 495 HD3 LYS 61 2HD LYS 61 6.319 -8.534 0.133 496 HE2 LYS 61 1HE LYS 61 8.043 -9.974 0.913 497 HE3 LYS 61 2HE LYS 61 9.208 -8.653 0.972 498 HZ1 LYS 61 3HZ LYS 61 8.630 -8.710 3.143 499 HZ2 LYS 61 1HZ LYS 61 7.090 -9.347 2.851 500 HZ3 LYS 61 2HZ LYS 61 7.383 -7.698 2.612 501 H LEU 62 H LEU 62 5.074 -8.813 -4.011 502 HA LEU 62 HA LEU 62 5.791 -11.492 -3.516 503 HB2 LEU 62 1HB LEU 62 3.449 -10.536 -5.149 504 HB3 LEU 62 2HB LEU 62 3.599 -12.067 -4.289 505 HG LEU 62 HG LEU 62 3.564 -9.416 -2.868 506 HD11 LEU 62 1HD1 LEU 62 1.240 -11.190 -3.596 507 HD12 LEU 62 2HD1 LEU 62 1.508 -9.524 -4.106 508 HD13 LEU 62 3HD1 LEU 62 1.174 -9.884 -2.413 509 HD21 LEU 62 3HD2 LEU 62 4.065 -10.733 -1.146 510 HD22 LEU 62 1HD2 LEU 62 3.821 -12.195 -2.103 511 HD23 LEU 62 2HD2 LEU 62 2.449 -11.422 -1.308 512 H THR 63 H THR 63 5.363 -9.678 -6.529 513 HA THR 63 HA THR 63 5.509 -11.569 -8.452 514 HB THR 63 HB THR 63 7.216 -9.078 -8.543 515 HG1 THR 63 1HG THR 63 5.093 -8.387 -9.662 516 HG21 THR 63 3HG2 THR 63 6.483 -9.227 -10.994 517 HG22 THR 63 1HG2 THR 63 6.014 -10.885 -10.623 518 HG23 THR 63 2HG2 THR 63 7.694 -10.382 -10.438 519 H LYS 64 H LYS 64 8.422 -10.072 -7.030 520 HA LYS 64 HA LYS 64 10.532 -10.858 -6.709 521 HB2 LYS 64 1HB LYS 64 9.156 -12.755 -5.650 522 HB3 LYS 64 2HB LYS 64 9.483 -13.648 -7.130 523 HG2 LYS 64 1HG LYS 64 11.739 -13.829 -6.682 524 HG3 LYS 64 2HG LYS 64 11.739 -12.442 -5.590 525 HD2 LYS 64 1HD LYS 64 10.227 -14.956 -4.946 526 HD3 LYS 64 2HD LYS 64 11.940 -14.779 -4.556 527 HE2 LYS 64 1HE LYS 64 11.364 -12.697 -3.310 528 HE3 LYS 64 2HE LYS 64 9.661 -13.056 -3.591 529 HZ1 LYS 64 3HZ LYS 64 10.898 -15.337 -2.530 530 HZ2 LYS 64 1HZ LYS 64 9.681 -14.385 -1.841 531 HZ3 LYS 64 2HZ LYS 64 11.307 -14.017 -1.554 532 H ALA 65 H ALA 65 9.850 -10.036 -9.276 533 HA ALA 65 HA ALA 65 11.958 -11.152 -10.791 534 HB1 ALA 65 3HB ALA 65 9.182 -11.935 -11.673 535 HB2 ALA 65 1HB ALA 65 10.657 -12.163 -12.613 536 HB3 ALA 65 2HB ALA 65 10.441 -13.022 -11.088 537 H GLY 66 H GLY 66 12.302 -10.054 -12.792 538 HA2 GLY 66 1HA GLY 66 12.341 -8.163 -14.093 539 HA3 GLY 66 2HA GLY 66 10.588 -8.220 -13.988 540 H ILE 67 H ILE 67 12.919 -7.710 -11.373 541 HA ILE 67 HA ILE 67 11.686 -5.072 -10.925 542 HB ILE 67 HB ILE 67 12.967 -6.925 -8.913 543 HG12 ILE 67 1HG1 ILE 67 10.115 -5.984 -8.892 544 HG13 ILE 67 2HG1 ILE 67 10.585 -7.368 -9.872 545 HG21 ILE 67 1HG2 ILE 67 11.520 -4.379 -8.271 546 HG22 ILE 67 2HG2 ILE 67 12.608 -5.324 -7.255 547 HG23 ILE 67 3HG2 ILE 67 13.251 -4.393 -8.607 548 HD11 ILE 67 3HD1 ILE 67 10.106 -8.541 -8.037 549 HD12 ILE 67 1HD1 ILE 67 11.691 -8.007 -7.480 550 HD13 ILE 67 2HD1 ILE 67 10.241 -7.136 -6.981 551 HA PRO 68 HA PRO 68 15.622 -3.258 -11.749 552 HB2 PRO 68 1HB PRO 68 15.188 -0.845 -10.581 553 HB3 PRO 68 2HB PRO 68 14.466 -1.308 -12.127 554 HG2 PRO 68 1HG PRO 68 13.259 -1.339 -9.387 555 HG3 PRO 68 2HG PRO 68 12.546 -0.799 -10.918 556 HD2 PRO 68 1HD PRO 68 12.001 -3.217 -9.830 557 HD3 PRO 68 2HD PRO 68 12.038 -2.946 -11.584 558 H VAL 69 H VAL 69 17.555 -2.724 -10.714 559 HA VAL 69 HA VAL 69 17.588 -3.183 -7.801 560 HB VAL 69 HB VAL 69 18.675 -5.011 -9.005 561 HG11 VAL 69 1HG1 VAL 69 19.317 -3.825 -11.026 562 HG12 VAL 69 2HG1 VAL 69 20.489 -2.870 -10.115 563 HG13 VAL 69 3HG1 VAL 69 20.721 -4.609 -10.302 564 HG21 VAL 69 3HG2 VAL 69 21.080 -4.548 -8.012 565 HG22 VAL 69 1HG2 VAL 69 20.250 -3.180 -7.271 566 HG23 VAL 69 2HG2 VAL 69 19.688 -4.823 -6.963 567 H SER 70 H SER 70 19.106 -1.441 -10.483 568 HA SER 70 HA SER 70 20.028 0.576 -8.541 569 HB2 SER 70 1HB SER 70 21.390 -0.519 -10.992 570 HB3 SER 70 2HB SER 70 21.809 1.070 -10.351 571 HG SER 70 HG SER 70 22.700 -1.262 -9.539 572 H GLY 71 H GLY 71 19.619 2.697 -8.984 573 HA2 GLY 71 1HA GLY 71 18.578 3.452 -11.600 574 HA3 GLY 71 2HA GLY 71 17.467 3.608 -10.248 575 HA PRO 72 HA PRO 72 21.126 6.766 -9.667 576 HB2 PRO 72 1HB PRO 72 22.383 7.446 -11.975 577 HB3 PRO 72 2HB PRO 72 22.942 6.137 -10.926 578 HG2 PRO 72 1HG PRO 72 21.316 5.991 -13.436 579 HG3 PRO 72 2HG PRO 72 22.673 4.972 -12.920 580 HD2 PRO 72 1HD PRO 72 20.092 4.190 -12.682 581 HD3 PRO 72 2HD PRO 72 21.350 3.693 -11.532 582 H SER 73 H SER 73 19.471 6.791 -12.815 583 HA SER 73 HA SER 73 19.180 9.564 -13.056 584 HB2 SER 73 1HB SER 73 17.376 7.372 -14.110 585 HB3 SER 73 2HB SER 73 17.371 9.049 -14.658 586 HG SER 73 HG SER 73 18.939 8.532 -15.938 587 H SER 74 H SER 74 17.879 11.009 -12.123 588 HA SER 74 HA SER 74 16.211 10.216 -9.936 589 HB2 SER 74 1HB SER 74 15.805 12.601 -9.635 590 HB3 SER 74 2HB SER 74 17.521 12.322 -9.926 591 HG SER 74 HG SER 74 16.889 14.017 -11.213 592 H GLY 75 H GLY 75 15.622 11.611 -13.150 593 HA2 GLY 75 1HA GLY 75 13.775 11.145 -14.519 594 HA3 GLY 75 2HA GLY 75 12.962 10.422 -13.140
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