data_11029_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11029
_Entry.PDB_ID 2RNN
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 5 . 1 1 1 A 2 2 SER N N -2 115.414 120.779 -5.365 1
1 6 . 1 1 1 A 2 2 SER H H -2 8.737 8.552 0.185 1
1 7 . 1 1 1 A 2 2 SER CA C -2 57.710 58.281 -0.571 1
1 8 . 1 1 1 A 2 2 SER HA H -2 4.446 4.661 -0.215 1
1 9 . 1 1 1 A 2 2 SER CB C -2 63.365 64.932 -1.567 1
1 12 . 1 1 1 A 2 2 SER C C -2 173.826 173.911 -0.085 1
1 40 . 1 1 1 A 5 5 ILE N N 2 122.114 119.845 2.269 1
1 41 . 1 1 1 A 5 5 ILE H H 2 8.292 7.532 0.760 1
1 42 . 1 1 1 A 5 5 ILE CA C 2 60.568 59.519 1.049 1
1 43 . 1 1 1 A 5 5 ILE HA H 2 4.102 4.758 -0.656 1
1 44 . 1 1 1 A 5 5 ILE CB C 2 38.417 41.901 -3.484 1
1 57 . 1 1 1 A 5 5 ILE C C 2 174.970 174.202 0.768 1
1 58 . 1 1 1 A 6 6 ASN N N 3 122.794 120.816 1.978 1
1 59 . 1 1 1 A 6 6 ASN H H 3 8.636 8.755 -0.119 1
1 60 . 1 1 1 A 6 6 ASN CA C 3 52.274 53.288 -1.014 1
1 61 . 1 1 1 A 6 6 ASN HA H 3 4.712 5.205 -0.493 1
1 62 . 1 1 1 A 6 6 ASN CB C 3 38.194 42.430 -4.236 1
1 68 . 1 1 1 A 6 6 ASN C C 3 174.766 175.171 -0.405 1
1 69 . 1 1 1 A 7 7 LEU N N 4 123.220 124.487 -1.267 1
1 70 . 1 1 1 A 7 7 LEU H H 4 8.484 8.872 -0.388 1
1 71 . 1 1 1 A 7 7 LEU CA C 4 55.359 58.148 -2.789 1
1 72 . 1 1 1 A 7 7 LEU HA H 4 4.197 4.197 0.000 1
1 73 . 1 1 1 A 7 7 LEU CB C 4 41.461 41.634 -0.173 1
1 86 . 1 1 1 A 7 7 LEU C C 4 177.248 177.936 -0.688 1
1 87 . 1 1 1 A 8 8 GLU N N 5 119.354 117.799 1.555 1
1 88 . 1 1 1 A 8 8 GLU H H 5 8.455 7.692 0.763 1
1 89 . 1 1 1 A 8 8 GLU CA C 5 56.589 57.021 -0.432 1
1 90 . 1 1 1 A 8 8 GLU HA H 5 4.091 4.342 -0.251 1
1 91 . 1 1 1 A 8 8 GLU CB C 5 29.275 30.222 -0.947 1
1 97 . 1 1 1 A 8 8 GLU C C 5 175.981 176.274 -0.293 1
1 98 . 1 1 1 A 9 9 ASP N N 6 119.780 121.584 -1.804 1
1 99 . 1 1 1 A 9 9 ASP H H 6 8.136 8.109 0.027 1
1 100 . 1 1 1 A 9 9 ASP CA C 6 53.931 53.406 0.525 1
1 101 . 1 1 1 A 9 9 ASP HA H 6 4.492 4.925 -0.433 1
1 102 . 1 1 1 A 9 9 ASP CB C 6 40.360 41.849 -1.489 1
1 105 . 1 1 1 A 9 9 ASP C C 6 175.397 175.549 -0.152 1
1 106 . 1 1 1 A 10 10 TYR N N 7 119.939 120.016 -0.077 1
1 107 . 1 1 1 A 10 10 TYR H H 7 7.902 7.881 0.021 1
1 108 . 1 1 1 A 10 10 TYR CA C 7 57.667 57.190 0.477 1
1 109 . 1 1 1 A 10 10 TYR HA H 7 4.431 4.794 -0.363 1
1 110 . 1 1 1 A 10 10 TYR CB C 7 38.236 39.632 -1.396 1
1 119 . 1 1 1 A 10 10 TYR C C 7 174.898 175.648 -0.750 1
1 120 . 1 1 1 A 11 11 TRP N N 8 122.648 121.882 0.766 1
1 121 . 1 1 1 A 11 11 TRP H H 8 7.917 8.195 -0.278 1
1 122 . 1 1 1 A 11 11 TRP CA C 8 56.562 58.017 -1.455 1
1 123 . 1 1 1 A 11 11 TRP HA H 8 4.578 4.597 -0.019 1
1 124 . 1 1 1 A 11 11 TRP CB C 8 29.293 30.239 -0.946 1
1 139 . 1 1 1 A 11 11 TRP C C 8 175.212 176.363 -1.151 1
1 140 . 1 1 1 A 12 12 GLU N N 9 122.189 115.146 7.043 1
1 141 . 1 1 1 A 12 12 GLU H H 9 8.030 7.799 0.231 1
1 142 . 1 1 1 A 12 12 GLU CA C 9 55.743 55.643 0.100 1
1 143 . 1 1 1 A 12 12 GLU HA H 9 4.137 4.605 -0.468 1
1 144 . 1 1 1 A 12 12 GLU CB C 9 30.001 32.493 -2.492 1
1 150 . 1 1 1 A 12 12 GLU C C 9 175.138 174.932 0.206 1
1 151 . 1 1 1 A 13 13 ASP N N 10 121.099 122.269 -1.170 1
1 152 . 1 1 1 A 13 13 ASP H H 10 8.253 8.676 -0.423 1
1 153 . 1 1 1 A 13 13 ASP CA C 10 53.843 53.252 0.591 1
1 154 . 1 1 1 A 13 13 ASP HA H 10 4.500 5.006 -0.506 1
1 155 . 1 1 1 A 13 13 ASP CB C 10 40.715 42.098 -1.383 1
1 158 . 1 1 1 A 13 13 ASP C C 10 175.700 175.648 0.052 1
1 159 . 1 1 1 A 14 14 GLU N N 11 121.240 116.036 5.204 1
1 160 . 1 1 1 A 14 14 GLU H H 11 8.435 8.108 0.327 1
1 161 . 1 1 1 A 14 14 GLU CA C 11 55.858 57.470 -1.612 1
1 162 . 1 1 1 A 14 14 GLU HA H 11 4.289 3.899 0.390 1
1 163 . 1 1 1 A 14 14 GLU CB C 11 29.758 27.726 2.032 1
1 169 . 1 1 1 A 14 14 GLU C C 11 176.002 175.473 0.529 1
1 170 . 1 1 1 A 15 15 THR N N 12 118.367 114.311 4.056 1
1 171 . 1 1 1 A 15 15 THR H H 12 8.407 7.839 0.568 1
1 172 . 1 1 1 A 15 15 THR CA C 12 59.646 60.356 -0.710 1
1 173 . 1 1 1 A 15 15 THR HA H 12 4.503 4.310 0.193 1
1 174 . 1 1 1 A 15 15 THR CB C 12 69.084 69.809 -0.725 1
1 181 . 1 1 1 A 16 16 PRO CA C 13 62.791 62.274 0.517 1
1 182 . 1 1 1 A 16 16 PRO HA H 13 4.408 4.563 -0.155 1
1 183 . 1 1 1 A 16 16 PRO CB C 13 31.771 33.276 -1.505 1
1 191 . 1 1 1 A 16 16 PRO C C 13 176.689 176.177 0.512 1
1 192 . 1 1 1 A 17 17 GLY N N 14 109.540 106.973 2.567 1
1 193 . 1 1 1 A 17 17 GLY H H 14 8.423 8.315 0.108 1
1 194 . 1 1 1 A 17 17 GLY CA C 14 44.219 46.450 -2.231 1
1 195 . 1 1 1 A 17 17 GLY HA2 H 14 4.010 4.380 -0.370 1
1 196 . 1 1 1 A 17 17 GLY HA3 H 14 4.159 4.381 -0.222 1
1 198 . 1 1 1 A 18 18 PRO CA C 15 62.843 62.937 -0.094 1
1 199 . 1 1 1 A 18 18 PRO HA H 15 4.412 4.653 -0.241 1
1 200 . 1 1 1 A 18 18 PRO CB C 15 31.667 33.456 -1.789 1
1 208 . 1 1 1 A 18 18 PRO C C 15 176.447 176.068 0.379 1
1 209 . 1 1 1 A 19 19 ASP N N 16 119.197 121.264 -2.067 1
1 210 . 1 1 1 A 19 19 ASP H H 16 8.517 8.700 -0.183 1
1 211 . 1 1 1 A 19 19 ASP CA C 16 53.940 53.942 -0.002 1
1 212 . 1 1 1 A 19 19 ASP HA H 16 4.559 4.936 -0.377 1
1 213 . 1 1 1 A 19 19 ASP CB C 16 40.180 42.278 -2.098 1
1 216 . 1 1 1 A 19 19 ASP C C 16 175.764 176.635 -0.871 1
1 217 . 1 1 1 A 20 20 ARG N N 17 120.435 115.855 4.580 1
1 218 . 1 1 1 A 20 20 ARG H H 17 8.201 7.840 0.361 1
1 219 . 1 1 1 A 20 20 ARG CA C 17 55.216 56.467 -1.251 1
1 220 . 1 1 1 A 20 20 ARG HA H 17 4.356 4.532 -0.176 1
1 221 . 1 1 1 A 20 20 ARG CB C 17 30.184 32.172 -1.988 1
1 237 . 1 1 1 A 20 20 ARG C C 17 175.724 175.810 -0.086 1
1 238 . 1 1 1 A 21 21 GLU N N 18 122.477 120.868 1.609 1
1 239 . 1 1 1 A 21 21 GLU H H 18 8.371 7.871 0.500 1
1 240 . 1 1 1 A 21 21 GLU CA C 18 53.658 53.824 -0.166 1
1 241 . 1 1 1 A 21 21 GLU HA H 18 4.657 4.705 -0.048 1
1 242 . 1 1 1 A 21 21 GLU CB C 18 28.984 30.889 -1.905 1
1 249 . 1 1 1 A 22 22 PRO CA C 19 62.442 62.622 -0.180 1
1 250 . 1 1 1 A 22 22 PRO HA H 19 4.516 4.757 -0.241 1
1 251 . 1 1 1 A 22 22 PRO CB C 19 31.903 32.809 -0.906 1
1 259 . 1 1 1 A 22 22 PRO C C 19 176.323 175.917 0.406 1
1 260 . 1 1 1 A 23 23 THR N N 20 112.531 115.944 -3.413 1
1 261 . 1 1 1 A 23 23 THR H H 20 7.946 8.451 -0.505 1
1 262 . 1 1 1 A 23 23 THR CA C 20 60.521 60.743 -0.222 1
1 263 . 1 1 1 A 23 23 THR HA H 20 4.373 4.805 -0.432 1
1 264 . 1 1 1 A 23 23 THR CB C 20 70.238 71.147 -0.909 1
1 270 . 1 1 1 A 23 23 THR C C 20 174.678 174.966 -0.288 1
1 271 . 1 1 1 A 24 24 ASN N N 21 120.631 123.436 -2.805 1
1 272 . 1 1 1 A 24 24 ASN H H 21 8.958 9.191 -0.233 1
1 273 . 1 1 1 A 24 24 ASN CA C 21 54.854 57.182 -2.328 1
1 274 . 1 1 1 A 24 24 ASN HA H 21 4.467 4.361 0.106 1
1 275 . 1 1 1 A 24 24 ASN CB C 21 37.535 37.842 -0.307 1
1 281 . 1 1 1 A 24 24 ASN C C 21 176.397 177.763 -1.366 1
1 282 . 1 1 1 A 25 25 GLU N N 22 120.237 118.169 2.068 1
1 283 . 1 1 1 A 25 25 GLU H H 22 8.644 8.294 0.350 1
1 284 . 1 1 1 A 25 25 GLU CA C 22 59.195 59.175 0.020 1
1 285 . 1 1 1 A 25 25 GLU HA H 22 4.076 4.073 0.003 1
1 286 . 1 1 1 A 25 25 GLU CB C 22 28.567 28.651 -0.084 1
1 292 . 1 1 1 A 25 25 GLU C C 22 177.942 179.004 -1.062 1
1 293 . 1 1 1 A 26 26 LEU N N 23 122.376 123.005 -0.629 1
1 294 . 1 1 1 A 26 26 LEU H H 23 8.109 7.990 0.119 1
1 295 . 1 1 1 A 26 26 LEU CA C 23 56.940 58.140 -1.200 1
1 296 . 1 1 1 A 26 26 LEU HA H 23 4.247 3.995 0.252 1
1 297 . 1 1 1 A 26 26 LEU CB C 23 40.425 41.887 -1.462 1
1 310 . 1 1 1 A 26 26 LEU C C 23 178.298 178.330 -0.032 1
1 311 . 1 1 1 A 27 27 ARG N N 24 118.606 118.204 0.402 1
1 312 . 1 1 1 A 27 27 ARG H H 24 8.225 8.252 -0.027 1
1 313 . 1 1 1 A 27 27 ARG CA C 24 59.892 58.868 1.024 1
1 314 . 1 1 1 A 27 27 ARG HA H 24 3.875 4.041 -0.166 1
1 315 . 1 1 1 A 27 27 ARG CB C 24 28.853 29.688 -0.835 1
1 331 . 1 1 1 A 27 27 ARG C C 24 178.374 178.527 -0.153 1
1 332 . 1 1 1 A 28 28 ASN N N 25 117.812 118.630 -0.818 1
1 333 . 1 1 1 A 28 28 ASN H H 25 8.146 8.291 -0.145 1
1 334 . 1 1 1 A 28 28 ASN CA C 25 55.753 56.374 -0.621 1
1 335 . 1 1 1 A 28 28 ASN HA H 25 4.452 4.444 0.008 1
1 336 . 1 1 1 A 28 28 ASN CB C 25 37.388 38.975 -1.587 1
1 342 . 1 1 1 A 28 28 ASN C C 25 177.043 178.028 -0.985 1
1 343 . 1 1 1 A 29 29 GLU N N 26 121.177 117.978 3.199 1
1 344 . 1 1 1 A 29 29 GLU H H 26 8.247 8.537 -0.290 1
1 345 . 1 1 1 A 29 29 GLU CA C 26 58.897 59.117 -0.220 1
1 346 . 1 1 1 A 29 29 GLU HA H 26 4.075 4.073 0.002 1
1 347 . 1 1 1 A 29 29 GLU CB C 26 29.202 29.417 -0.215 1
1 353 . 1 1 1 A 29 29 GLU C C 26 180.215 179.654 0.561 1
1 354 . 1 1 1 A 30 30 VAL N N 27 123.509 121.220 2.289 1
1 355 . 1 1 1 A 30 30 VAL H H 27 8.793 7.866 0.927 1
1 356 . 1 1 1 A 30 30 VAL CA C 27 68.051 66.656 1.395 1
1 357 . 1 1 1 A 30 30 VAL HA H 27 3.413 3.815 -0.402 1
1 358 . 1 1 1 A 30 30 VAL CB C 27 31.196 31.631 -0.435 1
1 368 . 1 1 1 A 30 30 VAL C C 27 176.589 177.873 -1.284 1
1 369 . 1 1 1 A 31 31 GLU N N 28 119.159 118.510 0.649 1
1 370 . 1 1 1 A 31 31 GLU H H 28 8.042 8.502 -0.460 1
1 371 . 1 1 1 A 31 31 GLU CA C 28 59.379 59.845 -0.466 1
1 372 . 1 1 1 A 31 31 GLU HA H 28 3.946 3.959 -0.013 1
1 373 . 1 1 1 A 31 31 GLU CB C 28 28.603 29.278 -0.675 1
1 379 . 1 1 1 A 31 31 GLU C C 28 179.282 179.257 0.025 1
1 380 . 1 1 1 A 32 32 GLU N N 29 118.871 120.669 -1.798 1
1 381 . 1 1 1 A 32 32 GLU H H 29 8.550 8.130 0.420 1
1 382 . 1 1 1 A 32 32 GLU CA C 29 58.770 59.370 -0.600 1
1 383 . 1 1 1 A 32 32 GLU HA H 29 4.056 4.070 -0.014 1
1 384 . 1 1 1 A 32 32 GLU CB C 29 29.214 29.767 -0.553 1
1 390 . 1 1 1 A 32 32 GLU C C 29 178.791 178.568 0.223 1
1 391 . 1 1 1 A 33 33 THR N N 30 117.719 114.136 3.583 1
1 392 . 1 1 1 A 33 33 THR H H 30 8.205 8.217 -0.012 1
1 393 . 1 1 1 A 33 33 THR CA C 30 67.465 65.879 1.586 1
1 394 . 1 1 1 A 33 33 THR HA H 30 3.816 4.042 -0.226 1
1 395 . 1 1 1 A 33 33 THR CB C 30 66.888 68.323 -1.435 1
1 401 . 1 1 1 A 33 33 THR C C 30 175.681 177.639 -1.958 1
1 402 . 1 1 1 A 34 34 ILE N N 31 123.925 123.251 0.674 1
1 403 . 1 1 1 A 34 34 ILE H H 31 8.698 8.132 0.566 1
1 404 . 1 1 1 A 34 34 ILE CA C 31 66.438 64.678 1.760 1
1 405 . 1 1 1 A 34 34 ILE HA H 31 3.442 3.721 -0.279 1
1 406 . 1 1 1 A 34 34 ILE CB C 31 37.311 37.362 -0.051 1
1 416 . 1 1 1 A 34 34 ILE C C 31 176.731 178.133 -1.402 1
1 417 . 1 1 1 A 35 35 THR N N 32 116.478 118.398 -1.920 1
1 418 . 1 1 1 A 35 35 THR H H 32 7.956 8.141 -0.185 1
1 419 . 1 1 1 A 35 35 THR CA C 32 66.447 67.147 -0.700 1
1 420 . 1 1 1 A 35 35 THR HA H 32 3.929 3.919 0.010 1
1 421 . 1 1 1 A 35 35 THR CB C 32 67.964 67.954 0.010 1
1 427 . 1 1 1 A 35 35 THR C C 32 176.226 176.593 -0.367 1
1 428 . 1 1 1 A 36 36 LEU N N 33 119.834 120.343 -0.509 1
1 429 . 1 1 1 A 36 36 LEU H H 33 7.663 8.290 -0.627 1
1 430 . 1 1 1 A 36 36 LEU CA C 33 57.274 57.818 -0.544 1
1 431 . 1 1 1 A 36 36 LEU HA H 33 4.075 4.030 0.045 1
1 432 . 1 1 1 A 36 36 LEU CB C 33 42.188 41.246 0.942 1
1 445 . 1 1 1 A 36 36 LEU C C 33 179.412 179.787 -0.375 1
1 446 . 1 1 1 A 37 37 MET N N 34 119.993 118.114 1.879 1
1 447 . 1 1 1 A 37 37 MET H H 34 8.509 8.548 -0.039 1
1 448 . 1 1 1 A 37 37 MET CA C 34 57.865 57.845 0.020 1
1 449 . 1 1 1 A 37 37 MET HA H 34 3.865 4.209 -0.344 1
1 450 . 1 1 1 A 37 37 MET CB C 34 28.735 32.348 -3.613 1
1 460 . 1 1 1 A 37 37 MET C C 34 178.772 178.171 0.601 1
1 461 . 1 1 1 A 38 38 GLU N N 35 120.011 120.671 -0.660 1
1 462 . 1 1 1 A 38 38 GLU H H 35 8.321 8.288 0.033 1
1 463 . 1 1 1 A 38 38 GLU CA C 35 58.442 58.848 -0.406 1
1 464 . 1 1 1 A 38 38 GLU HA H 35 3.928 4.066 -0.138 1
1 465 . 1 1 1 A 38 38 GLU CB C 35 28.943 29.590 -0.647 1
1 471 . 1 1 1 A 38 38 GLU C C 35 176.040 177.808 -1.768 1
1 472 . 1 1 1 A 39 39 LEU N N 36 118.349 117.895 0.454 1
1 473 . 1 1 1 A 39 39 LEU H H 36 7.441 7.228 0.213 1
1 474 . 1 1 1 A 39 39 LEU CA C 36 54.614 54.107 0.507 1
1 475 . 1 1 1 A 39 39 LEU HA H 36 4.393 4.503 -0.110 1
1 476 . 1 1 1 A 39 39 LEU CB C 36 42.210 41.256 0.954 1
1 489 . 1 1 1 A 39 39 LEU C C 36 178.113 176.322 1.791 1
1 490 . 1 1 1 A 40 40 LEU N N 37 118.362 121.875 -3.513 1
1 491 . 1 1 1 A 40 40 LEU H H 37 7.464 7.373 0.091 1
1 492 . 1 1 1 A 40 40 LEU CA C 37 54.659 55.851 -1.192 1
1 493 . 1 1 1 A 40 40 LEU HA H 37 4.400 4.177 0.223 1
1 494 . 1 1 1 A 40 40 LEU CB C 37 40.993 42.491 -1.498 1
1 507 . 1 1 1 A 40 40 LEU C C 37 177.827 176.282 1.545 1
1 508 . 1 1 1 A 41 41 LYS N N 38 120.851 120.714 0.137 1
1 509 . 1 1 1 A 41 41 LYS H H 38 9.254 8.210 1.044 1
1 510 . 1 1 1 A 41 41 LYS CA C 38 54.727 54.065 0.662 1
1 511 . 1 1 1 A 41 41 LYS HA H 38 4.572 4.811 -0.239 1
1 512 . 1 1 1 A 41 41 LYS CB C 38 33.768 35.399 -1.631 1
1 524 . 1 1 1 A 41 41 LYS C C 38 177.911 177.671 0.240 1
1 525 . 1 1 1 A 42 42 VAL N N 39 122.215 118.420 3.795 1
1 526 . 1 1 1 A 42 42 VAL H H 39 9.039 8.833 0.206 1
1 527 . 1 1 1 A 42 42 VAL CA C 39 67.408 65.374 2.034 1
1 528 . 1 1 1 A 42 42 VAL HA H 39 3.699 3.736 -0.037 1
1 529 . 1 1 1 A 42 42 VAL CB C 39 31.056 31.708 -0.652 1
1 539 . 1 1 1 A 42 42 VAL C C 39 176.560 177.379 -0.819 1
1 540 . 1 1 1 A 43 43 SER N N 40 114.377 117.134 -2.757 1
1 541 . 1 1 1 A 43 43 SER H H 40 8.686 8.118 0.568 1
1 542 . 1 1 1 A 43 43 SER CA C 40 61.144 62.068 -0.924 1
1 543 . 1 1 1 A 43 43 SER HA H 40 3.933 4.036 -0.103 1
1 544 . 1 1 1 A 43 43 SER CB C 40 60.933 62.728 -1.795 1
1 547 . 1 1 1 A 43 43 SER C C 40 175.910 176.982 -1.072 1
1 548 . 1 1 1 A 44 44 GLU N N 41 122.833 121.480 1.353 1
1 549 . 1 1 1 A 44 44 GLU H H 41 6.661 7.773 -1.112 1
1 550 . 1 1 1 A 44 44 GLU CA C 41 57.315 59.422 -2.107 1
1 551 . 1 1 1 A 44 44 GLU HA H 41 4.363 4.024 0.339 1
1 552 . 1 1 1 A 44 44 GLU CB C 41 30.399 29.547 0.852 1
1 558 . 1 1 1 A 44 44 GLU C C 41 178.185 179.363 -1.178 1
1 559 . 1 1 1 A 45 45 LEU N N 42 119.110 120.460 -1.350 1
1 560 . 1 1 1 A 45 45 LEU H H 42 8.393 8.633 -0.240 1
1 561 . 1 1 1 A 45 45 LEU CA C 42 57.359 57.722 -0.363 1
1 562 . 1 1 1 A 45 45 LEU HA H 42 3.918 3.884 0.034 1
1 563 . 1 1 1 A 45 45 LEU CB C 42 42.476 41.507 0.969 1
1 576 . 1 1 1 A 45 45 LEU C C 42 179.735 179.386 0.349 1
1 577 . 1 1 1 A 46 46 LYS N N 43 118.025 117.623 0.402 1
1 578 . 1 1 1 A 46 46 LYS H H 43 8.596 8.220 0.376 1
1 579 . 1 1 1 A 46 46 LYS CA C 43 60.844 60.441 0.403 1
1 580 . 1 1 1 A 46 46 LYS HA H 43 3.816 3.898 -0.082 1
1 581 . 1 1 1 A 46 46 LYS CB C 43 31.918 32.329 -0.411 1
1 593 . 1 1 1 A 46 46 LYS C C 43 177.672 179.328 -1.656 1
1 594 . 1 1 1 A 47 47 ASP N N 44 119.267 119.735 -0.468 1
1 595 . 1 1 1 A 47 47 ASP H H 44 7.448 8.184 -0.736 1
1 596 . 1 1 1 A 47 47 ASP CA C 44 57.422 57.382 0.040 1
1 597 . 1 1 1 A 47 47 ASP HA H 44 4.555 4.357 0.198 1
1 598 . 1 1 1 A 47 47 ASP CB C 44 39.264 40.768 -1.504 1
1 601 . 1 1 1 A 47 47 ASP C C 44 179.284 178.931 0.353 1
1 602 . 1 1 1 A 48 48 ILE N N 45 120.817 119.190 1.627 1
1 603 . 1 1 1 A 48 48 ILE H H 45 7.871 8.148 -0.277 1
1 604 . 1 1 1 A 48 48 ILE CA C 45 64.604 65.358 -0.754 1
1 605 . 1 1 1 A 48 48 ILE HA H 45 3.653 3.522 0.131 1
1 606 . 1 1 1 A 48 48 ILE CB C 45 36.293 38.215 -1.922 1
1 619 . 1 1 1 A 48 48 ILE C C 45 177.180 177.602 -0.422 1
1 620 . 1 1 1 A 49 49 CYS N N 46 117.775 119.817 -2.042 1
1 621 . 1 1 1 A 49 49 CYS H H 46 8.543 8.290 0.253 1
1 622 . 1 1 1 A 49 49 CYS CA C 46 64.971 63.390 1.581 1
1 623 . 1 1 1 A 49 49 CYS HA H 46 3.852 3.950 -0.098 1
1 624 . 1 1 1 A 49 49 CYS CB C 46 25.872 26.808 -0.936 1
1 627 . 1 1 1 A 49 49 CYS C C 46 176.288 177.264 -0.976 1
1 628 . 1 1 1 A 50 50 ARG N N 47 118.702 122.479 -3.777 1
1 629 . 1 1 1 A 50 50 ARG H H 47 8.626 7.996 0.630 1
1 630 . 1 1 1 A 50 50 ARG CA C 47 58.983 59.118 -0.135 1
1 631 . 1 1 1 A 50 50 ARG HA H 47 4.058 4.085 -0.027 1
1 632 . 1 1 1 A 50 50 ARG CB C 47 29.512 30.240 -0.728 1
1 648 . 1 1 1 A 50 50 ARG C C 47 179.270 177.986 1.284 1
1 649 . 1 1 1 A 51 51 SER N N 48 114.502 114.361 0.141 1
1 650 . 1 1 1 A 51 51 SER H H 48 7.514 7.965 -0.451 1
1 651 . 1 1 1 A 51 51 SER CA C 48 61.745 61.741 0.004 1
1 652 . 1 1 1 A 51 51 SER HA H 48 4.308 4.216 0.092 1
1 653 . 1 1 1 A 51 51 SER CB C 48 62.780 63.281 -0.501 1
1 656 . 1 1 1 A 51 51 SER C C 48 176.764 177.170 -0.406 1
1 657 . 1 1 1 A 52 52 VAL N N 49 113.832 120.634 -6.802 1
1 658 . 1 1 1 A 52 52 VAL H H 49 7.511 8.065 -0.554 1
1 659 . 1 1 1 A 52 52 VAL CA C 49 60.751 63.093 -2.342 1
1 660 . 1 1 1 A 52 52 VAL HA H 49 3.760 3.694 0.066 1
1 661 . 1 1 1 A 52 52 VAL CB C 49 30.719 31.332 -0.613 1
1 671 . 1 1 1 A 52 52 VAL C C 49 173.462 174.991 -1.529 1
1 672 . 1 1 1 A 53 53 SER N N 50 112.698 115.034 -2.336 1
1 673 . 1 1 1 A 53 53 SER H H 50 7.653 7.892 -0.239 1
1 674 . 1 1 1 A 53 53 SER CA C 50 59.025 59.725 -0.700 1
1 675 . 1 1 1 A 53 53 SER HA H 50 3.911 4.152 -0.241 1
1 676 . 1 1 1 A 53 53 SER CB C 50 60.895 61.343 -0.448 1
1 679 . 1 1 1 A 53 53 SER C C 50 174.065 173.475 0.590 1
1 680 . 1 1 1 A 54 54 PHE N N 51 120.132 120.266 -0.134 1
1 681 . 1 1 1 A 54 54 PHE H H 51 8.332 7.865 0.467 1
1 682 . 1 1 1 A 54 54 PHE CA C 51 51.743 56.762 -5.019 1
1 683 . 1 1 1 A 54 54 PHE HA H 51 5.171 4.507 0.664 1
1 684 . 1 1 1 A 54 54 PHE CB C 51 37.762 38.742 -0.980 1
1 696 . 1 1 1 A 55 55 PRO CA C 52 62.176 62.656 -0.480 1
1 697 . 1 1 1 A 55 55 PRO HA H 52 4.417 4.670 -0.253 1
1 698 . 1 1 1 A 55 55 PRO CB C 52 31.347 31.625 -0.278 1
1 706 . 1 1 1 A 55 55 PRO C C 52 176.296 177.072 -0.776 1
1 707 . 1 1 1 A 56 56 VAL N N 53 109.933 125.236 -15.303 1
1 708 . 1 1 1 A 56 56 VAL H H 53 7.986 8.917 -0.931 1
1 709 . 1 1 1 A 56 56 VAL CA C 53 59.863 62.294 -2.431 1
1 710 . 1 1 1 A 56 56 VAL HA H 53 4.404 4.402 0.002 1
1 711 . 1 1 1 A 56 56 VAL CB C 53 31.483 31.909 -0.426 1
1 721 . 1 1 1 A 56 56 VAL C C 53 175.074 176.568 -1.494 1
1 722 . 1 1 1 A 57 57 SER N N 54 114.614 117.715 -3.101 1
1 723 . 1 1 1 A 57 57 SER H H 54 7.304 7.919 -0.615 1
1 724 . 1 1 1 A 57 57 SER CA C 54 57.295 60.715 -3.420 1
1 725 . 1 1 1 A 57 57 SER HA H 54 4.363 4.449 -0.086 1
1 726 . 1 1 1 A 57 57 SER CB C 54 63.351 63.679 -0.328 1
1 729 . 1 1 1 A 57 57 SER C C 54 174.225 175.489 -1.264 1
1 730 . 1 1 1 A 58 58 GLY N N 55 110.300 109.205 1.095 1
1 731 . 1 1 1 A 58 58 GLY H H 55 8.545 7.818 0.727 1
1 732 . 1 1 1 A 58 58 GLY CA C 55 43.806 44.326 -0.520 1
1 733 . 1 1 1 A 58 58 GLY HA2 H 55 4.009 4.022 -0.013 1
1 734 . 1 1 1 A 58 58 GLY HA3 H 55 3.715 4.028 -0.313 1
1 735 . 1 1 1 A 58 58 GLY C C 55 172.483 173.205 -0.722 1
1 736 . 1 1 1 A 59 59 ARG N N 56 116.392 120.091 -3.699 1
1 737 . 1 1 1 A 59 59 ARG H H 56 7.913 8.657 -0.744 1
1 738 . 1 1 1 A 59 59 ARG CA C 56 54.769 53.987 0.782 1
1 739 . 1 1 1 A 59 59 ARG HA H 56 4.371 4.918 -0.547 1
1 740 . 1 1 1 A 59 59 ARG CB C 56 30.447 33.031 -2.584 1
1 752 . 1 1 1 A 59 59 ARG C C 56 176.019 176.209 -0.190 1
1 753 . 1 1 1 A 60 60 LYS N N 57 122.009 117.743 4.266 1
1 754 . 1 1 1 A 60 60 LYS H H 57 8.811 8.873 -0.062 1
1 755 . 1 1 1 A 60 60 LYS CA C 57 61.236 59.079 2.157 1
1 756 . 1 1 1 A 60 60 LYS HA H 57 3.606 4.041 -0.435 1
1 757 . 1 1 1 A 60 60 LYS CB C 57 32.419 31.922 0.497 1
1 769 . 1 1 1 A 60 60 LYS C C 57 176.824 178.596 -1.772 1
1 770 . 1 1 1 A 61 61 ALA N N 58 116.880 121.887 -5.007 1
1 771 . 1 1 1 A 61 61 ALA H H 58 8.794 7.839 0.955 1
1 772 . 1 1 1 A 61 61 ALA CA C 58 54.617 55.097 -0.480 1
1 773 . 1 1 1 A 61 61 ALA HA H 58 4.129 4.357 -0.228 1
1 777 . 1 1 1 A 61 61 ALA CB C 58 18.103 18.359 -0.256 1
1 778 . 1 1 1 A 61 61 ALA C C 58 179.574 179.959 -0.385 1
1 779 . 1 1 1 A 62 62 VAL N N 59 117.408 118.492 -1.084 1
1 780 . 1 1 1 A 62 62 VAL H H 59 7.047 7.939 -0.892 1
1 781 . 1 1 1 A 62 62 VAL CA C 59 64.864 67.059 -2.195 1
1 782 . 1 1 1 A 62 62 VAL HA H 59 3.701 3.508 0.193 1
1 783 . 1 1 1 A 62 62 VAL CB C 59 31.301 31.360 -0.059 1
1 793 . 1 1 1 A 62 62 VAL C C 59 178.103 178.237 -0.134 1
1 794 . 1 1 1 A 63 63 LEU N N 60 119.573 119.754 -0.181 1
1 795 . 1 1 1 A 63 63 LEU H H 60 7.585 8.240 -0.655 1
1 796 . 1 1 1 A 63 63 LEU CA C 60 57.571 58.305 -0.734 1
1 797 . 1 1 1 A 63 63 LEU HA H 60 3.923 3.903 0.020 1
1 798 . 1 1 1 A 63 63 LEU CB C 60 41.711 41.775 -0.064 1
1 810 . 1 1 1 A 63 63 LEU C C 60 178.692 179.060 -0.368 1
1 811 . 1 1 1 A 64 64 GLN N N 61 114.206 117.364 -3.158 1
1 812 . 1 1 1 A 64 64 GLN H H 61 8.373 8.504 -0.131 1
1 813 . 1 1 1 A 64 64 GLN CA C 61 58.039 58.475 -0.436 1
1 814 . 1 1 1 A 64 64 GLN HA H 61 4.090 4.058 0.032 1
1 815 . 1 1 1 A 64 64 GLN CB C 61 28.670 28.568 0.102 1
1 821 . 1 1 1 A 64 64 GLN C C 61 178.207 177.429 0.778 1
1 822 . 1 1 1 A 65 65 ASP N N 62 118.671 120.463 -1.792 1
1 823 . 1 1 1 A 65 65 ASP H H 62 7.973 7.917 0.056 1
1 824 . 1 1 1 A 65 65 ASP CA C 62 56.961 57.386 -0.425 1
1 825 . 1 1 1 A 65 65 ASP HA H 62 4.353 4.458 -0.105 1
1 826 . 1 1 1 A 65 65 ASP CB C 62 39.856 40.581 -0.725 1
1 829 . 1 1 1 A 65 65 ASP C C 62 178.113 178.951 -0.838 1
1 830 . 1 1 1 A 66 66 LEU N N 63 119.708 120.869 -1.161 1
1 831 . 1 1 1 A 66 66 LEU H H 63 7.970 8.181 -0.211 1
1 832 . 1 1 1 A 66 66 LEU CA C 63 57.549 58.083 -0.534 1
1 833 . 1 1 1 A 66 66 LEU HA H 63 3.838 3.968 -0.130 1
1 834 . 1 1 1 A 66 66 LEU CB C 63 41.235 42.173 -0.938 1
1 847 . 1 1 1 A 66 66 LEU C C 63 180.041 179.193 0.848 1
1 848 . 1 1 1 A 67 67 ILE N N 64 118.309 119.503 -1.194 1
1 849 . 1 1 1 A 67 67 ILE H H 64 7.555 8.210 -0.655 1
1 850 . 1 1 1 A 67 67 ILE CA C 64 63.895 65.542 -1.647 1
1 851 . 1 1 1 A 67 67 ILE HA H 64 3.794 3.716 0.078 1
1 852 . 1 1 1 A 67 67 ILE CB C 64 37.181 37.706 -0.525 1
1 865 . 1 1 1 A 67 67 ILE C C 64 176.949 178.152 -1.203 1
1 866 . 1 1 1 A 68 68 ARG N N 65 122.359 120.423 1.936 1
1 867 . 1 1 1 A 68 68 ARG H H 65 9.489 8.312 1.177 1
1 868 . 1 1 1 A 68 68 ARG CA C 65 60.488 60.011 0.477 1
1 869 . 1 1 1 A 68 68 ARG HA H 65 3.692 3.923 -0.231 1
1 870 . 1 1 1 A 68 68 ARG CB C 65 29.897 30.129 -0.232 1
1 880 . 1 1 1 A 68 68 ARG C C 65 177.728 179.087 -1.359 1
1 881 . 1 1 1 A 69 69 ASN N N 66 116.248 115.778 0.470 1
1 882 . 1 1 1 A 69 69 ASN H H 66 8.546 8.479 0.067 1
1 883 . 1 1 1 A 69 69 ASN CA C 66 55.945 56.309 -0.364 1
1 884 . 1 1 1 A 69 69 ASN HA H 66 4.391 4.436 -0.045 1
1 885 . 1 1 1 A 69 69 ASN CB C 66 37.828 37.725 0.103 1
1 891 . 1 1 1 A 69 69 ASN C C 66 176.520 178.520 -2.000 1
1 892 . 1 1 1 A 70 70 PHE N N 67 121.134 120.146 0.988 1
1 893 . 1 1 1 A 70 70 PHE H H 67 7.693 8.182 -0.489 1
1 894 . 1 1 1 A 70 70 PHE CA C 67 60.170 60.535 -0.365 1
1 895 . 1 1 1 A 70 70 PHE HA H 67 4.535 4.297 0.238 1
1 896 . 1 1 1 A 70 70 PHE CB C 67 39.838 39.019 0.819 1
1 902 . 1 1 1 A 70 70 PHE C C 67 177.756 178.318 -0.562 1
1 903 . 1 1 1 A 71 71 LEU N N 68 117.959 119.714 -1.755 1
1 904 . 1 1 1 A 71 71 LEU H H 68 8.336 8.592 -0.256 1
1 905 . 1 1 1 A 71 71 LEU CA C 68 57.468 57.890 -0.422 1
1 906 . 1 1 1 A 71 71 LEU HA H 68 3.828 3.983 -0.155 1
1 907 . 1 1 1 A 71 71 LEU CB C 68 42.156 41.366 0.790 1
1 919 . 1 1 1 A 71 71 LEU C C 68 178.037 179.341 -1.304 1
1 920 . 1 1 1 A 72 72 GLN N N 69 117.479 118.333 -0.854 1
1 921 . 1 1 1 A 72 72 GLN H H 69 8.802 8.327 0.475 1
1 922 . 1 1 1 A 72 72 GLN CA C 69 58.632 59.134 -0.502 1
1 923 . 1 1 1 A 72 72 GLN HA H 69 3.906 4.041 -0.135 1
1 924 . 1 1 1 A 72 72 GLN CB C 69 27.010 28.084 -1.074 1
1 933 . 1 1 1 A 72 72 GLN C C 69 179.337 177.885 1.452 1
1 934 . 1 1 1 A 73 73 ASN N N 70 117.551 116.561 0.990 1
1 935 . 1 1 1 A 73 73 ASN H H 70 8.124 8.292 -0.168 1
1 936 . 1 1 1 A 73 73 ASN CA C 70 54.051 55.062 -1.011 1
1 937 . 1 1 1 A 73 73 ASN HA H 70 4.602 4.525 0.077 1
1 938 . 1 1 1 A 73 73 ASN CB C 70 37.810 38.404 -0.594 1
1 944 . 1 1 1 A 73 73 ASN C C 70 175.490 177.815 -2.325 1
1 945 . 1 1 1 A 74 74 ALA N N 71 120.962 120.859 0.103 1
1 946 . 1 1 1 A 74 74 ALA H H 71 7.787 7.716 0.071 1
1 947 . 1 1 1 A 74 74 ALA CA C 71 53.143 54.157 -1.014 1
1 948 . 1 1 1 A 74 74 ALA HA H 71 4.193 4.171 0.022 1
1 952 . 1 1 1 A 74 74 ALA CB C 71 19.064 18.528 0.536 1
1 953 . 1 1 1 A 74 74 ALA C C 71 176.255 177.906 -1.651 1
1 954 . 1 1 1 A 75 75 LEU N N 72 112.822 111.177 1.645 1
1 955 . 1 1 1 A 75 75 LEU H H 72 7.381 7.547 -0.166 1
1 956 . 1 1 1 A 75 75 LEU CA C 72 52.987 53.544 -0.557 1
1 957 . 1 1 1 A 75 75 LEU HA H 72 4.305 4.613 -0.308 1
1 958 . 1 1 1 A 75 75 LEU CB C 72 41.490 41.846 -0.356 1
1 971 . 1 1 1 A 75 75 LEU C C 72 175.867 176.014 -0.147 1
1 972 . 1 1 1 A 76 76 VAL N N 73 120.671 121.007 -0.336 1
1 973 . 1 1 1 A 76 76 VAL H H 73 6.797 7.981 -1.184 1
1 974 . 1 1 1 A 76 76 VAL CA C 73 62.994 60.536 2.458 1
1 975 . 1 1 1 A 76 76 VAL HA H 73 3.707 4.496 -0.789 1
1 976 . 1 1 1 A 76 76 VAL CB C 73 32.014 34.389 -2.375 1
1 986 . 1 1 1 A 76 76 VAL C C 73 176.144 175.949 0.195 1
1 987 . 1 1 1 A 77 77 VAL N N 74 128.303 125.848 2.455 1
1 988 . 1 1 1 A 77 77 VAL H H 74 8.407 8.586 -0.179 1
1 989 . 1 1 1 A 77 77 VAL CA C 74 64.673 65.193 -0.520 1
1 990 . 1 1 1 A 77 77 VAL HA H 74 3.651 3.545 0.106 1
1 991 . 1 1 1 A 77 77 VAL CB C 74 30.789 31.438 -0.649 1
1 1001 . 1 1 1 A 77 77 VAL C C 74 176.911 177.380 -0.469 1
1 1002 . 1 1 1 A 78 78 GLY N N 75 116.087 115.487 0.600 1
1 1003 . 1 1 1 A 78 78 GLY H H 75 8.827 8.992 -0.165 1
1 1004 . 1 1 1 A 78 78 GLY CA C 75 45.004 46.196 -1.192 1
1 1005 . 1 1 1 A 78 78 GLY HA2 H 75 4.236 3.945 0.291 1
1 1006 . 1 1 1 A 78 78 GLY HA3 H 75 3.738 3.946 -0.208 1
1 1007 . 1 1 1 A 78 78 GLY C C 75 173.779 174.355 -0.576 1
1 1008 . 1 1 1 A 79 79 LYS N N 76 121.612 120.442 1.170 1
1 1009 . 1 1 1 A 79 79 LYS H H 76 8.140 7.706 0.434 1
1 1010 . 1 1 1 A 79 79 LYS CA C 76 54.078 55.485 -1.407 1
1 1011 . 1 1 1 A 79 79 LYS HA H 76 4.588 4.526 0.062 1
1 1012 . 1 1 1 A 79 79 LYS CB C 76 32.708 33.464 -0.756 1
1 1024 . 1 1 1 A 79 79 LYS C C 76 175.177 175.482 -0.305 1
1 1025 . 1 1 1 A 80 80 SER N N 77 117.166 117.279 -0.113 1
1 1026 . 1 1 1 A 80 80 SER H H 77 8.241 7.710 0.531 1
1 1027 . 1 1 1 A 80 80 SER CA C 77 59.173 59.777 -0.604 1
1 1028 . 1 1 1 A 80 80 SER HA H 77 4.356 4.393 -0.037 1
1 1029 . 1 1 1 A 80 80 SER CB C 77 63.288 63.768 -0.480 1
1 1032 . 1 1 1 A 80 80 SER C C 77 174.793 173.462 1.331 1
1 1033 . 1 1 1 A 81 81 ASP N N 78 118.775 123.761 -4.986 1
1 1034 . 1 1 1 A 81 81 ASP H H 78 8.506 8.887 -0.381 1
1 1035 . 1 1 1 A 81 81 ASP CA C 78 50.069 51.387 -1.318 1
1 1036 . 1 1 1 A 81 81 ASP HA H 78 5.423 5.053 0.370 1
1 1037 . 1 1 1 A 81 81 ASP CB C 78 41.498 41.367 0.131 1
1 1041 . 1 1 1 A 82 82 PRO CA C 79 63.656 64.331 -0.675 1
1 1042 . 1 1 1 A 82 82 PRO HA H 79 4.271 4.308 -0.037 1
1 1043 . 1 1 1 A 82 82 PRO CB C 79 31.303 31.762 -0.459 1
1 1051 . 1 1 1 A 82 82 PRO C C 79 178.645 177.947 0.698 1
1 1052 . 1 1 1 A 83 83 TYR N N 80 117.360 117.307 0.053 1
1 1053 . 1 1 1 A 83 83 TYR H H 80 7.561 7.377 0.184 1
1 1054 . 1 1 1 A 83 83 TYR CA C 80 59.635 61.541 -1.906 1
1 1055 . 1 1 1 A 83 83 TYR HA H 80 4.163 4.426 -0.263 1
1 1056 . 1 1 1 A 83 83 TYR CB C 80 35.602 38.450 -2.848 1
1 1065 . 1 1 1 A 83 83 TYR C C 80 176.904 178.391 -1.487 1
1 1066 . 1 1 1 A 84 84 ARG N N 81 120.833 118.846 1.987 1
1 1067 . 1 1 1 A 84 84 ARG H H 81 7.898 8.244 -0.346 1
1 1068 . 1 1 1 A 84 84 ARG CA C 81 58.332 59.093 -0.761 1
1 1069 . 1 1 1 A 84 84 ARG HA H 81 4.615 3.869 0.746 1
1 1070 . 1 1 1 A 84 84 ARG CB C 81 28.242 29.686 -1.444 1
1 1071 . 1 1 1 A 84 84 ARG C C 81 176.940 179.050 -2.110 1
1 1072 . 1 1 1 A 85 85 VAL N N 82 117.345 119.984 -2.639 1
1 1073 . 1 1 1 A 85 85 VAL H H 82 6.971 8.109 -1.138 1
1 1074 . 1 1 1 A 85 85 VAL CA C 82 65.663 66.873 -1.210 1
1 1075 . 1 1 1 A 85 85 VAL HA H 82 3.417 3.517 -0.100 1
1 1076 . 1 1 1 A 85 85 VAL CB C 82 31.165 31.582 -0.417 1
1 1085 . 1 1 1 A 85 85 VAL C C 82 176.601 177.900 -1.299 1
1 1086 . 1 1 1 A 86 86 GLN N N 83 117.137 120.062 -2.925 1
1 1087 . 1 1 1 A 86 86 GLN H H 83 7.536 8.457 -0.921 1
1 1088 . 1 1 1 A 86 86 GLN CA C 83 58.230 58.457 -0.227 1
1 1089 . 1 1 1 A 86 86 GLN HA H 83 3.953 4.069 -0.116 1
1 1090 . 1 1 1 A 86 86 GLN CB C 83 28.240 28.125 0.115 1
1 1099 . 1 1 1 A 86 86 GLN C C 83 178.602 178.077 0.525 1
1 1100 . 1 1 1 A 87 87 ALA N N 84 121.452 122.288 -0.836 1
1 1101 . 1 1 1 A 87 87 ALA H H 84 8.843 7.908 0.935 1
1 1102 . 1 1 1 A 87 87 ALA CA C 84 54.905 55.144 -0.239 1
1 1103 . 1 1 1 A 87 87 ALA HA H 84 4.048 4.149 -0.101 1
1 1107 . 1 1 1 A 87 87 ALA CB C 84 18.088 18.447 -0.359 1
1 1108 . 1 1 1 A 87 87 ALA C C 84 178.498 179.792 -1.294 1
1 1109 . 1 1 1 A 88 88 VAL N N 85 117.570 118.350 -0.780 1
1 1110 . 1 1 1 A 88 88 VAL H H 85 8.515 8.423 0.092 1
1 1111 . 1 1 1 A 88 88 VAL CA C 85 67.315 66.479 0.836 1
1 1112 . 1 1 1 A 88 88 VAL HA H 85 3.764 3.409 0.355 1
1 1113 . 1 1 1 A 88 88 VAL CB C 85 30.610 31.445 -0.835 1
1 1123 . 1 1 1 A 88 88 VAL C C 85 177.138 177.815 -0.677 1
1 1124 . 1 1 1 A 89 89 LYS N N 86 120.005 120.591 -0.586 1
1 1125 . 1 1 1 A 89 89 LYS H H 86 8.612 8.336 0.276 1
1 1126 . 1 1 1 A 89 89 LYS CA C 86 60.851 59.464 1.387 1
1 1127 . 1 1 1 A 89 89 LYS HA H 86 3.827 3.996 -0.169 1
1 1128 . 1 1 1 A 89 89 LYS CB C 86 31.974 32.105 -0.131 1
1 1140 . 1 1 1 A 89 89 LYS C C 86 178.096 178.682 -0.586 1
1 1141 . 1 1 1 A 90 90 PHE N N 87 119.839 120.461 -0.622 1
1 1142 . 1 1 1 A 90 90 PHE H H 87 8.184 8.187 -0.003 1
1 1143 . 1 1 1 A 90 90 PHE CA C 87 60.604 61.296 -0.692 1
1 1144 . 1 1 1 A 90 90 PHE HA H 87 4.302 4.187 0.115 1
1 1145 . 1 1 1 A 90 90 PHE CB C 87 38.349 39.352 -1.003 1
1 1154 . 1 1 1 A 90 90 PHE C C 87 177.748 177.668 0.080 1
1 1155 . 1 1 1 A 91 91 LEU N N 88 118.977 119.732 -0.755 1
1 1156 . 1 1 1 A 91 91 LEU H H 88 8.604 8.509 0.095 1
1 1157 . 1 1 1 A 91 91 LEU CA C 88 58.058 58.418 -0.360 1
1 1158 . 1 1 1 A 91 91 LEU HA H 88 3.975 3.784 0.191 1
1 1159 . 1 1 1 A 91 91 LEU CB C 88 41.114 42.010 -0.896 1
1 1169 . 1 1 1 A 91 91 LEU C C 88 178.106 179.166 -1.060 1
1 1170 . 1 1 1 A 92 92 ILE N N 89 118.378 118.709 -0.331 1
1 1171 . 1 1 1 A 92 92 ILE H H 89 8.420 8.520 -0.100 1
1 1172 . 1 1 1 A 92 92 ILE CA C 89 65.761 65.772 -0.011 1
1 1173 . 1 1 1 A 92 92 ILE HA H 89 3.542 3.436 0.106 1
1 1174 . 1 1 1 A 92 92 ILE CB C 89 37.372 37.948 -0.576 1
1 1184 . 1 1 1 A 92 92 ILE C C 89 176.952 178.324 -1.372 1
1 1185 . 1 1 1 A 93 93 GLU N N 90 120.262 120.610 -0.348 1
1 1186 . 1 1 1 A 93 93 GLU H H 90 8.133 8.238 -0.105 1
1 1187 . 1 1 1 A 93 93 GLU CA C 90 58.766 59.994 -1.228 1
1 1188 . 1 1 1 A 93 93 GLU HA H 90 4.038 3.842 0.196 1
1 1189 . 1 1 1 A 93 93 GLU CB C 90 28.466 29.099 -0.633 1
1 1195 . 1 1 1 A 93 93 GLU C C 90 178.689 178.202 0.487 1
1 1196 . 1 1 1 A 94 94 ARG N N 91 117.630 118.879 -1.249 1
1 1197 . 1 1 1 A 94 94 ARG H H 91 7.952 8.180 -0.228 1
1 1198 . 1 1 1 A 94 94 ARG CA C 91 58.343 58.920 -0.577 1
1 1199 . 1 1 1 A 94 94 ARG HA H 91 3.941 3.879 0.062 1
1 1200 . 1 1 1 A 94 94 ARG CB C 91 29.048 29.742 -0.694 1
1 1215 . 1 1 1 A 94 94 ARG C C 91 178.875 178.995 -0.120 1
1 1216 . 1 1 1 A 95 95 ILE N N 92 120.056 120.319 -0.263 1
1 1217 . 1 1 1 A 95 95 ILE H H 92 8.225 8.051 0.174 1
1 1218 . 1 1 1 A 95 95 ILE CA C 92 63.296 65.296 -2.000 1
1 1219 . 1 1 1 A 95 95 ILE HA H 92 3.972 3.761 0.211 1
1 1220 . 1 1 1 A 95 95 ILE CB C 92 36.921 36.862 0.059 1
1 1233 . 1 1 1 A 95 95 ILE C C 92 180.242 178.786 1.456 1
1 1234 . 1 1 1 A 96 96 ARG N N 93 121.023 120.611 0.412 1
1 1235 . 1 1 1 A 96 96 ARG H H 93 8.259 8.060 0.199 1
1 1236 . 1 1 1 A 96 96 ARG CA C 93 58.401 58.779 -0.378 1
1 1237 . 1 1 1 A 96 96 ARG HA H 93 4.068 4.195 -0.127 1
1 1238 . 1 1 1 A 96 96 ARG CB C 93 29.474 30.236 -0.762 1
1 1254 . 1 1 1 A 96 96 ARG C C 93 177.500 177.125 0.375 1
1 1255 . 1 1 1 A 97 97 LYS N N 94 116.750 117.522 -0.772 1
1 1256 . 1 1 1 A 97 97 LYS H H 94 7.527 7.603 -0.076 1
1 1257 . 1 1 1 A 97 97 LYS CA C 94 55.282 55.300 -0.018 1
1 1258 . 1 1 1 A 97 97 LYS HA H 94 4.274 4.399 -0.125 1
1 1259 . 1 1 1 A 97 97 LYS CB C 94 32.112 33.572 -1.460 1
1 1271 . 1 1 1 A 97 97 LYS C C 94 174.901 175.672 -0.771 1
1 1272 . 1 1 1 A 98 98 ASN N N 95 116.979 116.446 0.533 1
1 1273 . 1 1 1 A 98 98 ASN H H 95 8.150 7.893 0.257 1
1 1274 . 1 1 1 A 98 98 ASN CA C 95 53.822 54.444 -0.622 1
1 1275 . 1 1 1 A 98 98 ASN HA H 95 4.370 4.221 0.149 1
1 1276 . 1 1 1 A 98 98 ASN CB C 95 36.674 37.279 -0.605 1
1 1282 . 1 1 1 A 98 98 ASN C C 95 173.779 174.171 -0.392 1
1 1283 . 1 1 1 A 99 99 GLU N N 96 118.529 118.529 0.000 1
1 1284 . 1 1 1 A 99 99 GLU H H 96 8.236 8.335 -0.099 1
1 1285 . 1 1 1 A 99 99 GLU CA C 96 52.891 54.678 -1.787 1
1 1286 . 1 1 1 A 99 99 GLU HA H 96 4.673 4.600 0.073 1
1 1287 . 1 1 1 A 99 99 GLU CB C 96 30.358 28.644 1.714 1
1 1292 . 1 1 1 A 100 100 PRO CA C 97 62.037 62.641 -0.604 1
1 1293 . 1 1 1 A 100 100 PRO HA H 97 4.272 4.576 -0.304 1
1 1294 . 1 1 1 A 100 100 PRO CB C 97 31.609 32.593 -0.984 1
1 1302 . 1 1 1 A 100 100 PRO C C 97 176.184 175.647 0.537 1
1 1303 . 1 1 1 A 101 101 LEU N N 98 122.794 123.395 -0.601 1
1 1304 . 1 1 1 A 101 101 LEU H H 98 8.832 8.449 0.383 1
1 1305 . 1 1 1 A 101 101 LEU CA C 98 52.524 52.135 0.389 1
1 1306 . 1 1 1 A 101 101 LEU HA H 98 4.654 4.859 -0.205 1
1 1307 . 1 1 1 A 101 101 LEU CB C 98 40.422 42.432 -2.010 1
1 1321 . 1 1 1 A 102 102 PRO CA C 99 61.075 62.276 -1.201 1
1 1322 . 1 1 1 A 102 102 PRO HA H 99 4.629 4.637 -0.008 1
1 1323 . 1 1 1 A 102 102 PRO CB C 99 31.778 33.190 -1.412 1
1 1328 . 1 1 1 A 102 102 PRO C C 99 174.604 176.251 -1.647 1
1 1329 . 1 1 1 A 103 103 VAL N N 100 120.834 120.967 -0.133 1
1 1330 . 1 1 1 A 103 103 VAL H H 100 8.661 8.539 0.122 1
1 1331 . 1 1 1 A 103 103 VAL CA C 100 62.977 62.708 0.269 1
1 1332 . 1 1 1 A 103 103 VAL HA H 100 3.860 4.111 -0.251 1
1 1333 . 1 1 1 A 103 103 VAL CB C 100 31.731 31.868 -0.137 1
1 1342 . 1 1 1 A 103 103 VAL C C 100 177.396 176.455 0.941 1
1 1343 . 1 1 1 A 104 104 TYR N N 101 129.973 127.951 2.022 1
1 1344 . 1 1 1 A 104 104 TYR H H 101 8.487 9.198 -0.711 1
1 1345 . 1 1 1 A 104 104 TYR CA C 101 62.855 62.230 0.625 1
1 1346 . 1 1 1 A 104 104 TYR HA H 101 3.802 4.117 -0.315 1
1 1347 . 1 1 1 A 104 104 TYR CB C 101 38.429 38.804 -0.375 1
1 1356 . 1 1 1 A 104 104 TYR C C 101 175.877 177.513 -1.636 1
1 1357 . 1 1 1 A 105 105 LYS N N 102 117.165 119.770 -2.605 1
1 1358 . 1 1 1 A 105 105 LYS H H 102 8.848 8.396 0.452 1
1 1359 . 1 1 1 A 105 105 LYS CA C 102 59.343 59.970 -0.627 1
1 1360 . 1 1 1 A 105 105 LYS HA H 102 3.810 3.924 -0.114 1
1 1361 . 1 1 1 A 105 105 LYS CB C 102 31.739 32.134 -0.395 1
1 1373 . 1 1 1 A 105 105 LYS C C 102 177.370 178.371 -1.001 1
1 1374 . 1 1 1 A 106 106 ASP N N 103 117.011 120.055 -3.044 1
1 1375 . 1 1 1 A 106 106 ASP H H 103 6.781 8.271 -1.490 1
1 1376 . 1 1 1 A 106 106 ASP CA C 103 56.155 57.498 -1.343 1
1 1377 . 1 1 1 A 106 106 ASP HA H 103 4.454 4.309 0.145 1
1 1378 . 1 1 1 A 106 106 ASP CB C 103 39.467 41.347 -1.880 1
1 1381 . 1 1 1 A 106 106 ASP C C 103 178.180 178.102 0.078 1
1 1382 . 1 1 1 A 107 107 LEU N N 104 124.145 119.917 4.228 1
1 1383 . 1 1 1 A 107 107 LEU H H 104 7.687 8.356 -0.669 1
1 1384 . 1 1 1 A 107 107 LEU CA C 104 56.938 58.038 -1.100 1
1 1385 . 1 1 1 A 107 107 LEU HA H 104 4.000 3.999 0.001 1
1 1386 . 1 1 1 A 107 107 LEU CB C 104 41.707 41.786 -0.079 1
1 1399 . 1 1 1 A 107 107 LEU C C 104 176.403 178.826 -2.423 1
1 1400 . 1 1 1 A 108 108 TRP N N 105 120.039 120.561 -0.522 1
1 1401 . 1 1 1 A 108 108 TRP H H 105 9.072 8.244 0.828 1
1 1402 . 1 1 1 A 108 108 TRP CA C 105 62.392 60.695 1.697 1
1 1403 . 1 1 1 A 108 108 TRP HA H 105 3.547 3.958 -0.411 1
1 1404 . 1 1 1 A 108 108 TRP CB C 105 28.316 29.062 -0.746 1
1 1415 . 1 1 1 A 108 108 TRP C C 105 176.983 177.911 -0.928 1
1 1416 . 1 1 1 A 109 109 ASN N N 106 113.557 116.292 -2.735 1
1 1417 . 1 1 1 A 109 109 ASN H H 106 8.058 8.315 -0.257 1
1 1418 . 1 1 1 A 109 109 ASN CA C 106 55.662 55.930 -0.268 1
1 1419 . 1 1 1 A 109 109 ASN HA H 106 3.994 3.819 0.175 1
1 1420 . 1 1 1 A 109 109 ASN CB C 106 37.973 37.480 0.493 1
1 1426 . 1 1 1 A 109 109 ASN C C 106 176.928 177.353 -0.425 1
1 1427 . 1 1 1 A 110 110 ALA N N 107 121.997 122.621 -0.624 1
1 1428 . 1 1 1 A 110 110 ALA H H 107 7.718 7.767 -0.049 1
1 1429 . 1 1 1 A 110 110 ALA CA C 107 54.261 55.005 -0.744 1
1 1430 . 1 1 1 A 110 110 ALA HA H 107 3.979 4.025 -0.046 1
1 1434 . 1 1 1 A 110 110 ALA CB C 107 17.322 18.439 -1.117 1
1 1435 . 1 1 1 A 110 110 ALA C C 107 180.452 180.047 0.405 1
1 1436 . 1 1 1 A 111 111 LEU N N 108 119.150 117.798 1.352 1
1 1437 . 1 1 1 A 111 111 LEU H H 108 8.200 8.117 0.083 1
1 1438 . 1 1 1 A 111 111 LEU CA C 108 56.264 57.396 -1.132 1
1 1439 . 1 1 1 A 111 111 LEU HA H 108 3.857 3.922 -0.065 1
1 1440 . 1 1 1 A 111 111 LEU CB C 108 41.134 40.956 0.178 1
1 1453 . 1 1 1 A 111 111 LEU C C 108 178.144 179.300 -1.156 1
1 1454 . 1 1 1 A 112 112 ARG N N 109 117.178 120.105 -2.927 1
1 1455 . 1 1 1 A 112 112 ARG H H 109 7.365 7.999 -0.634 1
1 1456 . 1 1 1 A 112 112 ARG CA C 109 56.443 59.793 -3.350 1
1 1457 . 1 1 1 A 112 112 ARG HA H 109 2.642 3.932 -1.290 1
1 1458 . 1 1 1 A 112 112 ARG CB C 109 28.901 29.563 -0.662 1
1 1469 . 1 1 1 A 112 112 ARG C C 109 176.348 178.804 -2.456 1
1 1470 . 1 1 1 A 113 113 LYS N N 110 118.628 118.444 0.184 1
1 1471 . 1 1 1 A 113 113 LYS H H 110 7.145 7.892 -0.747 1
1 1472 . 1 1 1 A 113 113 LYS CA C 110 56.410 58.353 -1.943 1
1 1473 . 1 1 1 A 113 113 LYS HA H 110 4.018 4.062 -0.044 1
1 1474 . 1 1 1 A 113 113 LYS CB C 110 32.091 32.226 -0.135 1
1 1486 . 1 1 1 A 113 113 LYS C C 110 176.164 178.864 -2.700 1
1 5 . 2 1 1 A 2 2 SER N N -2 115.414 113.072 2.342 1
1 6 . 2 1 1 A 2 2 SER H H -2 8.737 7.915 0.822 1
1 7 . 2 1 1 A 2 2 SER CA C -2 57.710 59.298 -1.588 1
1 8 . 2 1 1 A 2 2 SER HA H -2 4.446 4.545 -0.099 1
1 9 . 2 1 1 A 2 2 SER CB C -2 63.365 64.493 -1.128 1
1 12 . 2 1 1 A 2 2 SER C C -2 173.826 174.344 -0.518 1
1 40 . 2 1 1 A 5 5 ILE N N 2 122.114 118.470 3.644 1
1 41 . 2 1 1 A 5 5 ILE H H 2 8.292 8.017 0.275 1
1 42 . 2 1 1 A 5 5 ILE CA C 2 60.568 63.554 -2.986 1
1 43 . 2 1 1 A 5 5 ILE HA H 2 4.102 4.013 0.089 1
1 44 . 2 1 1 A 5 5 ILE CB C 2 38.417 38.234 0.183 1
1 57 . 2 1 1 A 5 5 ILE C C 2 174.970 175.819 -0.849 1
1 58 . 2 1 1 A 6 6 ASN N N 3 122.794 115.061 7.733 1
1 59 . 2 1 1 A 6 6 ASN H H 3 8.636 7.633 1.003 1
1 60 . 2 1 1 A 6 6 ASN CA C 3 52.274 52.888 -0.614 1
1 61 . 2 1 1 A 6 6 ASN HA H 3 4.712 4.954 -0.242 1
1 62 . 2 1 1 A 6 6 ASN CB C 3 38.194 41.429 -3.235 1
1 68 . 2 1 1 A 6 6 ASN C C 3 174.766 174.110 0.656 1
1 69 . 2 1 1 A 7 7 LEU N N 4 123.220 122.820 0.400 1
1 70 . 2 1 1 A 7 7 LEU H H 4 8.484 8.625 -0.141 1
1 71 . 2 1 1 A 7 7 LEU CA C 4 55.359 55.846 -0.487 1
1 72 . 2 1 1 A 7 7 LEU HA H 4 4.197 4.395 -0.198 1
1 73 . 2 1 1 A 7 7 LEU CB C 4 41.461 43.082 -1.621 1
1 86 . 2 1 1 A 7 7 LEU C C 4 177.248 177.206 0.042 1
1 87 . 2 1 1 A 8 8 GLU N N 5 119.354 117.595 1.759 1
1 88 . 2 1 1 A 8 8 GLU H H 5 8.455 7.705 0.750 1
1 89 . 2 1 1 A 8 8 GLU CA C 5 56.589 56.544 0.045 1
1 90 . 2 1 1 A 8 8 GLU HA H 5 4.091 4.377 -0.286 1
1 91 . 2 1 1 A 8 8 GLU CB C 5 29.275 30.338 -1.063 1
1 97 . 2 1 1 A 8 8 GLU C C 5 175.981 176.304 -0.323 1
1 98 . 2 1 1 A 9 9 ASP N N 6 119.780 122.149 -2.369 1
1 99 . 2 1 1 A 9 9 ASP H H 6 8.136 8.216 -0.080 1
1 100 . 2 1 1 A 9 9 ASP CA C 6 53.931 53.216 0.715 1
1 101 . 2 1 1 A 9 9 ASP HA H 6 4.492 5.013 -0.521 1
1 102 . 2 1 1 A 9 9 ASP CB C 6 40.360 41.611 -1.251 1
1 105 . 2 1 1 A 9 9 ASP C C 6 175.397 176.292 -0.895 1
1 106 . 2 1 1 A 10 10 TYR N N 7 119.939 120.811 -0.872 1
1 107 . 2 1 1 A 10 10 TYR H H 7 7.902 8.067 -0.165 1
1 108 . 2 1 1 A 10 10 TYR CA C 7 57.667 58.872 -1.205 1
1 109 . 2 1 1 A 10 10 TYR HA H 7 4.431 4.728 -0.297 1
1 110 . 2 1 1 A 10 10 TYR CB C 7 38.236 38.887 -0.651 1
1 119 . 2 1 1 A 10 10 TYR C C 7 174.898 175.738 -0.840 1
1 120 . 2 1 1 A 11 11 TRP N N 8 122.648 121.704 0.944 1
1 121 . 2 1 1 A 11 11 TRP H H 8 7.917 7.998 -0.081 1
1 122 . 2 1 1 A 11 11 TRP CA C 8 56.562 58.308 -1.746 1
1 123 . 2 1 1 A 11 11 TRP HA H 8 4.578 4.242 0.336 1
1 124 . 2 1 1 A 11 11 TRP CB C 8 29.293 27.435 1.858 1
1 139 . 2 1 1 A 11 11 TRP C C 8 175.212 174.884 0.328 1
1 140 . 2 1 1 A 12 12 GLU N N 9 122.189 118.873 3.316 1
1 141 . 2 1 1 A 12 12 GLU H H 9 8.030 7.763 0.267 1
1 142 . 2 1 1 A 12 12 GLU CA C 9 55.743 55.322 0.421 1
1 143 . 2 1 1 A 12 12 GLU HA H 9 4.137 4.813 -0.676 1
1 144 . 2 1 1 A 12 12 GLU CB C 9 30.001 32.186 -2.185 1
1 150 . 2 1 1 A 12 12 GLU C C 9 175.138 175.197 -0.059 1
1 151 . 2 1 1 A 13 13 ASP N N 10 121.099 126.272 -5.173 1
1 152 . 2 1 1 A 13 13 ASP H H 10 8.253 9.169 -0.916 1
1 153 . 2 1 1 A 13 13 ASP CA C 10 53.843 53.866 -0.023 1
1 154 . 2 1 1 A 13 13 ASP HA H 10 4.500 5.026 -0.526 1
1 155 . 2 1 1 A 13 13 ASP CB C 10 40.715 42.210 -1.495 1
1 158 . 2 1 1 A 13 13 ASP C C 10 175.700 176.411 -0.711 1
1 159 . 2 1 1 A 14 14 GLU N N 11 121.240 117.701 3.539 1
1 160 . 2 1 1 A 14 14 GLU H H 11 8.435 8.268 0.167 1
1 161 . 2 1 1 A 14 14 GLU CA C 11 55.858 55.551 0.307 1
1 162 . 2 1 1 A 14 14 GLU HA H 11 4.289 4.508 -0.219 1
1 163 . 2 1 1 A 14 14 GLU CB C 11 29.758 29.360 0.398 1
1 169 . 2 1 1 A 14 14 GLU C C 11 176.002 176.384 -0.382 1
1 170 . 2 1 1 A 15 15 THR N N 12 118.367 112.532 5.835 1
1 171 . 2 1 1 A 15 15 THR H H 12 8.407 7.222 1.185 1
1 172 . 2 1 1 A 15 15 THR CA C 12 59.646 59.905 -0.259 1
1 173 . 2 1 1 A 15 15 THR HA H 12 4.503 4.586 -0.083 1
1 174 . 2 1 1 A 15 15 THR CB C 12 69.084 68.752 0.332 1
1 181 . 2 1 1 A 16 16 PRO CA C 13 62.791 62.453 0.338 1
1 182 . 2 1 1 A 16 16 PRO HA H 13 4.408 4.509 -0.101 1
1 183 . 2 1 1 A 16 16 PRO CB C 13 31.771 33.093 -1.322 1
1 191 . 2 1 1 A 16 16 PRO C C 13 176.689 175.964 0.725 1
1 192 . 2 1 1 A 17 17 GLY N N 14 109.540 106.017 3.523 1
1 193 . 2 1 1 A 17 17 GLY H H 14 8.423 8.107 0.316 1
1 194 . 2 1 1 A 17 17 GLY CA C 14 44.219 45.212 -0.993 1
1 195 . 2 1 1 A 17 17 GLY HA2 H 14 4.010 4.169 -0.159 1
1 196 . 2 1 1 A 17 17 GLY HA3 H 14 4.159 4.178 -0.019 1
1 198 . 2 1 1 A 18 18 PRO CA C 15 62.843 62.765 0.078 1
1 199 . 2 1 1 A 18 18 PRO HA H 15 4.412 4.606 -0.194 1
1 200 . 2 1 1 A 18 18 PRO CB C 15 31.667 32.820 -1.153 1
1 208 . 2 1 1 A 18 18 PRO C C 15 176.447 175.954 0.493 1
1 209 . 2 1 1 A 19 19 ASP N N 16 119.197 119.429 -0.232 1
1 210 . 2 1 1 A 19 19 ASP H H 16 8.517 8.372 0.145 1
1 211 . 2 1 1 A 19 19 ASP CA C 16 53.940 53.693 0.247 1
1 212 . 2 1 1 A 19 19 ASP HA H 16 4.559 4.672 -0.113 1
1 213 . 2 1 1 A 19 19 ASP CB C 16 40.180 40.430 -0.250 1
1 216 . 2 1 1 A 19 19 ASP C C 16 175.764 175.967 -0.203 1
1 217 . 2 1 1 A 20 20 ARG N N 17 120.435 117.346 3.089 1
1 218 . 2 1 1 A 20 20 ARG H H 17 8.201 7.998 0.203 1
1 219 . 2 1 1 A 20 20 ARG CA C 17 55.216 56.935 -1.719 1
1 220 . 2 1 1 A 20 20 ARG HA H 17 4.356 4.507 -0.151 1
1 221 . 2 1 1 A 20 20 ARG CB C 17 30.184 32.888 -2.704 1
1 237 . 2 1 1 A 20 20 ARG C C 17 175.724 175.450 0.274 1
1 238 . 2 1 1 A 21 21 GLU N N 18 122.477 117.491 4.986 1
1 239 . 2 1 1 A 21 21 GLU H H 18 8.371 7.664 0.707 1
1 240 . 2 1 1 A 21 21 GLU CA C 18 53.658 55.533 -1.875 1
1 241 . 2 1 1 A 21 21 GLU HA H 18 4.657 4.481 0.176 1
1 242 . 2 1 1 A 21 21 GLU CB C 18 28.984 30.049 -1.065 1
1 249 . 2 1 1 A 22 22 PRO CA C 19 62.442 62.669 -0.227 1
1 250 . 2 1 1 A 22 22 PRO HA H 19 4.516 4.750 -0.234 1
1 251 . 2 1 1 A 22 22 PRO CB C 19 31.903 32.740 -0.837 1
1 259 . 2 1 1 A 22 22 PRO C C 19 176.323 175.980 0.343 1
1 260 . 2 1 1 A 23 23 THR N N 20 112.531 113.764 -1.233 1
1 261 . 2 1 1 A 23 23 THR H H 20 7.946 8.325 -0.379 1
1 262 . 2 1 1 A 23 23 THR CA C 20 60.521 59.981 0.540 1
1 263 . 2 1 1 A 23 23 THR HA H 20 4.373 4.871 -0.498 1
1 264 . 2 1 1 A 23 23 THR CB C 20 70.238 71.247 -1.009 1
1 270 . 2 1 1 A 23 23 THR C C 20 174.678 175.232 -0.554 1
1 271 . 2 1 1 A 24 24 ASN N N 21 120.631 122.772 -2.141 1
1 272 . 2 1 1 A 24 24 ASN H H 21 8.958 9.119 -0.161 1
1 273 . 2 1 1 A 24 24 ASN CA C 21 54.854 56.884 -2.030 1
1 274 . 2 1 1 A 24 24 ASN HA H 21 4.467 4.285 0.182 1
1 275 . 2 1 1 A 24 24 ASN CB C 21 37.535 38.784 -1.249 1
1 281 . 2 1 1 A 24 24 ASN C C 21 176.397 176.927 -0.530 1
1 282 . 2 1 1 A 25 25 GLU N N 22 120.237 119.275 0.962 1
1 283 . 2 1 1 A 25 25 GLU H H 22 8.644 8.258 0.386 1
1 284 . 2 1 1 A 25 25 GLU CA C 22 59.195 58.963 0.232 1
1 285 . 2 1 1 A 25 25 GLU HA H 22 4.076 4.121 -0.045 1
1 286 . 2 1 1 A 25 25 GLU CB C 22 28.567 29.532 -0.965 1
1 292 . 2 1 1 A 25 25 GLU C C 22 177.942 178.705 -0.763 1
1 293 . 2 1 1 A 26 26 LEU N N 23 122.376 121.321 1.055 1
1 294 . 2 1 1 A 26 26 LEU H H 23 8.109 7.997 0.112 1
1 295 . 2 1 1 A 26 26 LEU CA C 23 56.940 58.144 -1.204 1
1 296 . 2 1 1 A 26 26 LEU HA H 23 4.247 3.997 0.250 1
1 297 . 2 1 1 A 26 26 LEU CB C 23 40.425 41.885 -1.460 1
1 310 . 2 1 1 A 26 26 LEU C C 23 178.298 178.328 -0.030 1
1 311 . 2 1 1 A 27 27 ARG N N 24 118.606 118.207 0.399 1
1 312 . 2 1 1 A 27 27 ARG H H 24 8.225 8.236 -0.011 1
1 313 . 2 1 1 A 27 27 ARG CA C 24 59.892 58.962 0.930 1
1 314 . 2 1 1 A 27 27 ARG HA H 24 3.875 4.041 -0.166 1
1 315 . 2 1 1 A 27 27 ARG CB C 24 28.853 29.686 -0.833 1
1 331 . 2 1 1 A 27 27 ARG C C 24 178.374 178.540 -0.166 1
1 332 . 2 1 1 A 28 28 ASN N N 25 117.812 118.534 -0.722 1
1 333 . 2 1 1 A 28 28 ASN H H 25 8.146 8.264 -0.118 1
1 334 . 2 1 1 A 28 28 ASN CA C 25 55.753 56.503 -0.750 1
1 335 . 2 1 1 A 28 28 ASN HA H 25 4.452 4.451 0.001 1
1 336 . 2 1 1 A 28 28 ASN CB C 25 37.388 38.948 -1.560 1
1 342 . 2 1 1 A 28 28 ASN C C 25 177.043 177.911 -0.868 1
1 343 . 2 1 1 A 29 29 GLU N N 26 121.177 118.252 2.925 1
1 344 . 2 1 1 A 29 29 GLU H H 26 8.247 8.466 -0.219 1
1 345 . 2 1 1 A 29 29 GLU CA C 26 58.897 59.175 -0.278 1
1 346 . 2 1 1 A 29 29 GLU HA H 26 4.075 4.078 -0.003 1
1 347 . 2 1 1 A 29 29 GLU CB C 26 29.202 29.380 -0.178 1
1 353 . 2 1 1 A 29 29 GLU C C 26 180.215 179.627 0.588 1
1 354 . 2 1 1 A 30 30 VAL N N 27 123.509 121.530 1.979 1
1 355 . 2 1 1 A 30 30 VAL H H 27 8.793 7.999 0.794 1
1 356 . 2 1 1 A 30 30 VAL CA C 27 68.051 66.799 1.252 1
1 357 . 2 1 1 A 30 30 VAL HA H 27 3.413 3.727 -0.314 1
1 358 . 2 1 1 A 30 30 VAL CB C 27 31.196 31.751 -0.555 1
1 368 . 2 1 1 A 30 30 VAL C C 27 176.589 177.874 -1.285 1
1 369 . 2 1 1 A 31 31 GLU N N 28 119.159 118.642 0.517 1
1 370 . 2 1 1 A 31 31 GLU H H 28 8.042 8.491 -0.449 1
1 371 . 2 1 1 A 31 31 GLU CA C 28 59.379 59.839 -0.460 1
1 372 . 2 1 1 A 31 31 GLU HA H 28 3.946 3.953 -0.007 1
1 373 . 2 1 1 A 31 31 GLU CB C 28 28.603 29.269 -0.666 1
1 379 . 2 1 1 A 31 31 GLU C C 28 179.282 179.248 0.034 1
1 380 . 2 1 1 A 32 32 GLU N N 29 118.871 120.713 -1.842 1
1 381 . 2 1 1 A 32 32 GLU H H 29 8.550 8.101 0.449 1
1 382 . 2 1 1 A 32 32 GLU CA C 29 58.770 59.388 -0.618 1
1 383 . 2 1 1 A 32 32 GLU HA H 29 4.056 4.077 -0.021 1
1 384 . 2 1 1 A 32 32 GLU CB C 29 29.214 29.847 -0.633 1
1 390 . 2 1 1 A 32 32 GLU C C 29 178.791 178.546 0.245 1
1 391 . 2 1 1 A 33 33 THR N N 30 117.719 114.109 3.610 1
1 392 . 2 1 1 A 33 33 THR H H 30 8.205 8.187 0.018 1
1 393 . 2 1 1 A 33 33 THR CA C 30 67.465 65.778 1.687 1
1 394 . 2 1 1 A 33 33 THR HA H 30 3.816 4.028 -0.212 1
1 395 . 2 1 1 A 33 33 THR CB C 30 66.888 68.174 -1.286 1
1 401 . 2 1 1 A 33 33 THR C C 30 175.681 177.684 -2.003 1
1 402 . 2 1 1 A 34 34 ILE N N 31 123.925 123.261 0.664 1
1 403 . 2 1 1 A 34 34 ILE H H 31 8.698 8.055 0.643 1
1 404 . 2 1 1 A 34 34 ILE CA C 31 66.438 64.397 2.041 1
1 405 . 2 1 1 A 34 34 ILE HA H 31 3.442 3.771 -0.329 1
1 406 . 2 1 1 A 34 34 ILE CB C 31 37.311 36.881 0.430 1
1 416 . 2 1 1 A 34 34 ILE C C 31 176.731 178.288 -1.557 1
1 417 . 2 1 1 A 35 35 THR N N 32 116.478 118.215 -1.737 1
1 418 . 2 1 1 A 35 35 THR H H 32 7.956 8.175 -0.219 1
1 419 . 2 1 1 A 35 35 THR CA C 32 66.447 67.242 -0.795 1
1 420 . 2 1 1 A 35 35 THR HA H 32 3.929 3.966 -0.037 1
1 421 . 2 1 1 A 35 35 THR CB C 32 67.964 67.887 0.077 1
1 427 . 2 1 1 A 35 35 THR C C 32 176.226 176.923 -0.697 1
1 428 . 2 1 1 A 36 36 LEU N N 33 119.834 120.625 -0.791 1
1 429 . 2 1 1 A 36 36 LEU H H 33 7.663 8.050 -0.387 1
1 430 . 2 1 1 A 36 36 LEU CA C 33 57.274 57.810 -0.536 1
1 431 . 2 1 1 A 36 36 LEU HA H 33 4.075 4.024 0.051 1
1 432 . 2 1 1 A 36 36 LEU CB C 33 42.188 41.456 0.732 1
1 445 . 2 1 1 A 36 36 LEU C C 33 179.412 179.265 0.147 1
1 446 . 2 1 1 A 37 37 MET N N 34 119.993 117.769 2.224 1
1 447 . 2 1 1 A 37 37 MET H H 34 8.509 8.260 0.249 1
1 448 . 2 1 1 A 37 37 MET CA C 34 57.865 57.982 -0.117 1
1 449 . 2 1 1 A 37 37 MET HA H 34 3.865 4.223 -0.358 1
1 450 . 2 1 1 A 37 37 MET CB C 34 28.735 32.393 -3.658 1
1 460 . 2 1 1 A 37 37 MET C C 34 178.772 178.265 0.507 1
1 461 . 2 1 1 A 38 38 GLU N N 35 120.011 120.752 -0.741 1
1 462 . 2 1 1 A 38 38 GLU H H 35 8.321 8.207 0.114 1
1 463 . 2 1 1 A 38 38 GLU CA C 35 58.442 58.856 -0.414 1
1 464 . 2 1 1 A 38 38 GLU HA H 35 3.928 4.092 -0.164 1
1 465 . 2 1 1 A 38 38 GLU CB C 35 28.943 29.608 -0.665 1
1 471 . 2 1 1 A 38 38 GLU C C 35 176.040 177.821 -1.781 1
1 472 . 2 1 1 A 39 39 LEU N N 36 118.349 117.846 0.503 1
1 473 . 2 1 1 A 39 39 LEU H H 36 7.441 7.595 -0.154 1
1 474 . 2 1 1 A 39 39 LEU CA C 36 54.614 54.185 0.429 1
1 475 . 2 1 1 A 39 39 LEU HA H 36 4.393 4.534 -0.141 1
1 476 . 2 1 1 A 39 39 LEU CB C 36 42.210 41.649 0.561 1
1 489 . 2 1 1 A 39 39 LEU C C 36 178.113 176.347 1.766 1
1 490 . 2 1 1 A 40 40 LEU N N 37 118.362 121.740 -3.378 1
1 491 . 2 1 1 A 40 40 LEU H H 37 7.464 7.512 -0.048 1
1 492 . 2 1 1 A 40 40 LEU CA C 37 54.659 55.382 -0.723 1
1 493 . 2 1 1 A 40 40 LEU HA H 37 4.400 4.273 0.127 1
1 494 . 2 1 1 A 40 40 LEU CB C 37 40.993 42.479 -1.486 1
1 507 . 2 1 1 A 40 40 LEU C C 37 177.827 176.095 1.732 1
1 508 . 2 1 1 A 41 41 LYS N N 38 120.851 120.590 0.261 1
1 509 . 2 1 1 A 41 41 LYS H H 38 9.254 8.587 0.667 1
1 510 . 2 1 1 A 41 41 LYS CA C 38 54.727 53.963 0.764 1
1 511 . 2 1 1 A 41 41 LYS HA H 38 4.572 4.796 -0.224 1
1 512 . 2 1 1 A 41 41 LYS CB C 38 33.768 35.527 -1.759 1
1 524 . 2 1 1 A 41 41 LYS C C 38 177.911 177.343 0.568 1
1 525 . 2 1 1 A 42 42 VAL N N 39 122.215 122.652 -0.437 1
1 526 . 2 1 1 A 42 42 VAL H H 39 9.039 8.812 0.227 1
1 527 . 2 1 1 A 42 42 VAL CA C 39 67.408 65.278 2.130 1
1 528 . 2 1 1 A 42 42 VAL HA H 39 3.699 3.729 -0.030 1
1 529 . 2 1 1 A 42 42 VAL CB C 39 31.056 31.727 -0.671 1
1 539 . 2 1 1 A 42 42 VAL C C 39 176.560 177.278 -0.718 1
1 540 . 2 1 1 A 43 43 SER N N 40 114.377 117.263 -2.886 1
1 541 . 2 1 1 A 43 43 SER H H 40 8.686 8.142 0.544 1
1 542 . 2 1 1 A 43 43 SER CA C 40 61.144 61.932 -0.788 1
1 543 . 2 1 1 A 43 43 SER HA H 40 3.933 4.044 -0.111 1
1 544 . 2 1 1 A 43 43 SER CB C 40 60.933 62.801 -1.868 1
1 547 . 2 1 1 A 43 43 SER C C 40 175.910 177.030 -1.120 1
1 548 . 2 1 1 A 44 44 GLU N N 41 122.833 121.962 0.871 1
1 549 . 2 1 1 A 44 44 GLU H H 41 6.661 7.942 -1.281 1
1 550 . 2 1 1 A 44 44 GLU CA C 41 57.315 59.337 -2.022 1
1 551 . 2 1 1 A 44 44 GLU HA H 41 4.363 4.052 0.311 1
1 552 . 2 1 1 A 44 44 GLU CB C 41 30.399 29.343 1.056 1
1 558 . 2 1 1 A 44 44 GLU C C 41 178.185 179.327 -1.142 1
1 559 . 2 1 1 A 45 45 LEU N N 42 119.110 120.455 -1.345 1
1 560 . 2 1 1 A 45 45 LEU H H 42 8.393 8.644 -0.251 1
1 561 . 2 1 1 A 45 45 LEU CA C 42 57.359 57.636 -0.277 1
1 562 . 2 1 1 A 45 45 LEU HA H 42 3.918 3.895 0.023 1
1 563 . 2 1 1 A 45 45 LEU CB C 42 42.476 41.684 0.792 1
1 576 . 2 1 1 A 45 45 LEU C C 42 179.735 178.882 0.853 1
1 577 . 2 1 1 A 46 46 LYS N N 43 118.025 119.716 -1.691 1
1 578 . 2 1 1 A 46 46 LYS H H 43 8.596 8.178 0.418 1
1 579 . 2 1 1 A 46 46 LYS CA C 43 60.844 60.005 0.839 1
1 580 . 2 1 1 A 46 46 LYS HA H 43 3.816 3.901 -0.085 1
1 581 . 2 1 1 A 46 46 LYS CB C 43 31.918 32.147 -0.229 1
1 593 . 2 1 1 A 46 46 LYS C C 43 177.672 178.437 -0.765 1
1 594 . 2 1 1 A 47 47 ASP N N 44 119.267 119.514 -0.247 1
1 595 . 2 1 1 A 47 47 ASP H H 44 7.448 8.195 -0.747 1
1 596 . 2 1 1 A 47 47 ASP CA C 44 57.422 57.383 0.039 1
1 597 . 2 1 1 A 47 47 ASP HA H 44 4.555 4.368 0.187 1
1 598 . 2 1 1 A 47 47 ASP CB C 44 39.264 40.781 -1.517 1
1 601 . 2 1 1 A 47 47 ASP C C 44 179.284 178.879 0.405 1
1 602 . 2 1 1 A 48 48 ILE N N 45 120.817 119.315 1.502 1
1 603 . 2 1 1 A 48 48 ILE H H 45 7.871 8.039 -0.168 1
1 604 . 2 1 1 A 48 48 ILE CA C 45 64.604 65.319 -0.715 1
1 605 . 2 1 1 A 48 48 ILE HA H 45 3.653 3.501 0.152 1
1 606 . 2 1 1 A 48 48 ILE CB C 45 36.293 38.123 -1.830 1
1 619 . 2 1 1 A 48 48 ILE C C 45 177.180 177.460 -0.280 1
1 620 . 2 1 1 A 49 49 CYS N N 46 117.775 119.673 -1.898 1
1 621 . 2 1 1 A 49 49 CYS H H 46 8.543 8.320 0.223 1
1 622 . 2 1 1 A 49 49 CYS CA C 46 64.971 63.332 1.639 1
1 623 . 2 1 1 A 49 49 CYS HA H 46 3.852 4.016 -0.164 1
1 624 . 2 1 1 A 49 49 CYS CB C 46 25.872 26.949 -1.077 1
1 627 . 2 1 1 A 49 49 CYS C C 46 176.288 177.078 -0.790 1
1 628 . 2 1 1 A 50 50 ARG N N 47 118.702 122.949 -4.247 1
1 629 . 2 1 1 A 50 50 ARG H H 47 8.626 8.002 0.624 1
1 630 . 2 1 1 A 50 50 ARG CA C 47 58.983 59.093 -0.110 1
1 631 . 2 1 1 A 50 50 ARG HA H 47 4.058 4.095 -0.037 1
1 632 . 2 1 1 A 50 50 ARG CB C 47 29.512 30.239 -0.727 1
1 648 . 2 1 1 A 50 50 ARG C C 47 179.270 178.074 1.196 1
1 649 . 2 1 1 A 51 51 SER N N 48 114.502 114.314 0.188 1
1 650 . 2 1 1 A 51 51 SER H H 48 7.514 7.898 -0.384 1
1 651 . 2 1 1 A 51 51 SER CA C 48 61.745 61.700 0.045 1
1 652 . 2 1 1 A 51 51 SER HA H 48 4.308 4.221 0.087 1
1 653 . 2 1 1 A 51 51 SER CB C 48 62.780 63.269 -0.489 1
1 656 . 2 1 1 A 51 51 SER C C 48 176.764 177.400 -0.636 1
1 657 . 2 1 1 A 52 52 VAL N N 49 113.832 120.636 -6.804 1
1 658 . 2 1 1 A 52 52 VAL H H 49 7.511 7.944 -0.433 1
1 659 . 2 1 1 A 52 52 VAL CA C 49 60.751 63.626 -2.875 1
1 660 . 2 1 1 A 52 52 VAL HA H 49 3.760 3.552 0.208 1
1 661 . 2 1 1 A 52 52 VAL CB C 49 30.719 31.414 -0.695 1
1 671 . 2 1 1 A 52 52 VAL C C 49 173.462 175.426 -1.964 1
1 672 . 2 1 1 A 53 53 SER N N 50 112.698 116.645 -3.947 1
1 673 . 2 1 1 A 53 53 SER H H 50 7.653 8.034 -0.381 1
1 674 . 2 1 1 A 53 53 SER CA C 50 59.025 59.440 -0.415 1
1 675 . 2 1 1 A 53 53 SER HA H 50 3.911 4.170 -0.259 1
1 676 . 2 1 1 A 53 53 SER CB C 50 60.895 62.035 -1.140 1
1 679 . 2 1 1 A 53 53 SER C C 50 174.065 173.531 0.534 1
1 680 . 2 1 1 A 54 54 PHE N N 51 120.132 120.219 -0.087 1
1 681 . 2 1 1 A 54 54 PHE H H 51 8.332 7.852 0.480 1
1 682 . 2 1 1 A 54 54 PHE CA C 51 51.743 56.792 -5.049 1
1 683 . 2 1 1 A 54 54 PHE HA H 51 5.171 4.523 0.648 1
1 684 . 2 1 1 A 54 54 PHE CB C 51 37.762 38.834 -1.072 1
1 696 . 2 1 1 A 55 55 PRO CA C 52 62.176 62.593 -0.417 1
1 697 . 2 1 1 A 55 55 PRO HA H 52 4.417 4.691 -0.274 1
1 698 . 2 1 1 A 55 55 PRO CB C 52 31.347 31.514 -0.167 1
1 706 . 2 1 1 A 55 55 PRO C C 52 176.296 177.162 -0.866 1
1 707 . 2 1 1 A 56 56 VAL N N 53 109.933 125.709 -15.776 1
1 708 . 2 1 1 A 56 56 VAL H H 53 7.986 8.989 -1.003 1
1 709 . 2 1 1 A 56 56 VAL CA C 53 59.863 62.728 -2.865 1
1 710 . 2 1 1 A 56 56 VAL HA H 53 4.404 4.236 0.168 1
1 711 . 2 1 1 A 56 56 VAL CB C 53 31.483 31.953 -0.470 1
1 721 . 2 1 1 A 56 56 VAL C C 53 175.074 176.403 -1.329 1
1 722 . 2 1 1 A 57 57 SER N N 54 114.614 116.541 -1.927 1
1 723 . 2 1 1 A 57 57 SER H H 54 7.304 7.745 -0.441 1
1 724 . 2 1 1 A 57 57 SER CA C 54 57.295 61.308 -4.013 1
1 725 . 2 1 1 A 57 57 SER HA H 54 4.363 4.310 0.053 1
1 726 . 2 1 1 A 57 57 SER CB C 54 63.351 63.000 0.351 1
1 729 . 2 1 1 A 57 57 SER C C 54 174.225 175.723 -1.498 1
1 730 . 2 1 1 A 58 58 GLY N N 55 110.300 109.391 0.909 1
1 731 . 2 1 1 A 58 58 GLY H H 55 8.545 7.867 0.678 1
1 732 . 2 1 1 A 58 58 GLY CA C 55 43.806 44.298 -0.492 1
1 733 . 2 1 1 A 58 58 GLY HA2 H 55 4.009 4.020 -0.011 1
1 734 . 2 1 1 A 58 58 GLY HA3 H 55 3.715 4.026 -0.311 1
1 735 . 2 1 1 A 58 58 GLY C C 55 172.483 173.111 -0.628 1
1 736 . 2 1 1 A 59 59 ARG N N 56 116.392 120.168 -3.776 1
1 737 . 2 1 1 A 59 59 ARG H H 56 7.913 8.660 -0.747 1
1 738 . 2 1 1 A 59 59 ARG CA C 56 54.769 53.955 0.814 1
1 739 . 2 1 1 A 59 59 ARG HA H 56 4.371 4.918 -0.547 1
1 740 . 2 1 1 A 59 59 ARG CB C 56 30.447 33.231 -2.784 1
1 752 . 2 1 1 A 59 59 ARG C C 56 176.019 176.213 -0.194 1
1 753 . 2 1 1 A 60 60 LYS N N 57 122.009 117.774 4.235 1
1 754 . 2 1 1 A 60 60 LYS H H 57 8.811 8.951 -0.140 1
1 755 . 2 1 1 A 60 60 LYS CA C 57 61.236 59.056 2.180 1
1 756 . 2 1 1 A 60 60 LYS HA H 57 3.606 4.037 -0.431 1
1 757 . 2 1 1 A 60 60 LYS CB C 57 32.419 31.904 0.515 1
1 769 . 2 1 1 A 60 60 LYS C C 57 176.824 178.539 -1.715 1
1 770 . 2 1 1 A 61 61 ALA N N 58 116.880 121.893 -5.013 1
1 771 . 2 1 1 A 61 61 ALA H H 58 8.794 7.818 0.976 1
1 772 . 2 1 1 A 61 61 ALA CA C 58 54.617 55.093 -0.476 1
1 773 . 2 1 1 A 61 61 ALA HA H 58 4.129 4.356 -0.227 1
1 777 . 2 1 1 A 61 61 ALA CB C 58 18.103 18.333 -0.230 1
1 778 . 2 1 1 A 61 61 ALA C C 58 179.574 179.971 -0.397 1
1 779 . 2 1 1 A 62 62 VAL N N 59 117.408 118.499 -1.091 1
1 780 . 2 1 1 A 62 62 VAL H H 59 7.047 7.953 -0.906 1
1 781 . 2 1 1 A 62 62 VAL CA C 59 64.864 67.051 -2.187 1
1 782 . 2 1 1 A 62 62 VAL HA H 59 3.701 3.508 0.193 1
1 783 . 2 1 1 A 62 62 VAL CB C 59 31.301 31.327 -0.026 1
1 793 . 2 1 1 A 62 62 VAL C C 59 178.103 178.397 -0.294 1
1 794 . 2 1 1 A 63 63 LEU N N 60 119.573 119.836 -0.263 1
1 795 . 2 1 1 A 63 63 LEU H H 60 7.585 8.205 -0.620 1
1 796 . 2 1 1 A 63 63 LEU CA C 60 57.571 58.309 -0.738 1
1 797 . 2 1 1 A 63 63 LEU HA H 60 3.923 3.906 0.017 1
1 798 . 2 1 1 A 63 63 LEU CB C 60 41.711 41.723 -0.012 1
1 810 . 2 1 1 A 63 63 LEU C C 60 178.692 179.059 -0.367 1
1 811 . 2 1 1 A 64 64 GLN N N 61 114.206 117.364 -3.158 1
1 812 . 2 1 1 A 64 64 GLN H H 61 8.373 8.491 -0.118 1
1 813 . 2 1 1 A 64 64 GLN CA C 61 58.039 58.465 -0.426 1
1 814 . 2 1 1 A 64 64 GLN HA H 61 4.090 4.057 0.033 1
1 815 . 2 1 1 A 64 64 GLN CB C 61 28.670 28.593 0.077 1
1 821 . 2 1 1 A 64 64 GLN C C 61 178.207 177.418 0.789 1
1 822 . 2 1 1 A 65 65 ASP N N 62 118.671 120.339 -1.668 1
1 823 . 2 1 1 A 65 65 ASP H H 62 7.973 7.922 0.051 1
1 824 . 2 1 1 A 65 65 ASP CA C 62 56.961 57.370 -0.409 1
1 825 . 2 1 1 A 65 65 ASP HA H 62 4.353 4.475 -0.122 1
1 826 . 2 1 1 A 65 65 ASP CB C 62 39.856 40.905 -1.049 1
1 829 . 2 1 1 A 65 65 ASP C C 62 178.113 178.967 -0.854 1
1 830 . 2 1 1 A 66 66 LEU N N 63 119.708 120.698 -0.990 1
1 831 . 2 1 1 A 66 66 LEU H H 63 7.970 8.303 -0.333 1
1 832 . 2 1 1 A 66 66 LEU CA C 63 57.549 58.109 -0.560 1
1 833 . 2 1 1 A 66 66 LEU HA H 63 3.838 3.973 -0.135 1
1 834 . 2 1 1 A 66 66 LEU CB C 63 41.235 42.188 -0.953 1
1 847 . 2 1 1 A 66 66 LEU C C 63 180.041 179.260 0.781 1
1 848 . 2 1 1 A 67 67 ILE N N 64 118.309 119.657 -1.348 1
1 849 . 2 1 1 A 67 67 ILE H H 64 7.555 8.182 -0.627 1
1 850 . 2 1 1 A 67 67 ILE CA C 64 63.895 65.401 -1.506 1
1 851 . 2 1 1 A 67 67 ILE HA H 64 3.794 3.736 0.058 1
1 852 . 2 1 1 A 67 67 ILE CB C 64 37.181 37.495 -0.314 1
1 865 . 2 1 1 A 67 67 ILE C C 64 176.949 178.047 -1.098 1
1 866 . 2 1 1 A 68 68 ARG N N 65 122.359 120.306 2.053 1
1 867 . 2 1 1 A 68 68 ARG H H 65 9.489 8.352 1.137 1
1 868 . 2 1 1 A 68 68 ARG CA C 65 60.488 59.925 0.563 1
1 869 . 2 1 1 A 68 68 ARG HA H 65 3.692 3.947 -0.255 1
1 870 . 2 1 1 A 68 68 ARG CB C 65 29.897 29.968 -0.071 1
1 880 . 2 1 1 A 68 68 ARG C C 65 177.728 179.107 -1.379 1
1 881 . 2 1 1 A 69 69 ASN N N 66 116.248 116.616 -0.368 1
1 882 . 2 1 1 A 69 69 ASN H H 66 8.546 8.341 0.205 1
1 883 . 2 1 1 A 69 69 ASN CA C 66 55.945 56.251 -0.306 1
1 884 . 2 1 1 A 69 69 ASN HA H 66 4.391 4.432 -0.041 1
1 885 . 2 1 1 A 69 69 ASN CB C 66 37.828 38.191 -0.363 1
1 891 . 2 1 1 A 69 69 ASN C C 66 176.520 178.261 -1.741 1
1 892 . 2 1 1 A 70 70 PHE N N 67 121.134 118.976 2.158 1
1 893 . 2 1 1 A 70 70 PHE H H 67 7.693 8.039 -0.346 1
1 894 . 2 1 1 A 70 70 PHE CA C 67 60.170 60.612 -0.442 1
1 895 . 2 1 1 A 70 70 PHE HA H 67 4.535 4.312 0.223 1
1 896 . 2 1 1 A 70 70 PHE CB C 67 39.838 38.977 0.861 1
1 902 . 2 1 1 A 70 70 PHE C C 67 177.756 178.172 -0.416 1
1 903 . 2 1 1 A 71 71 LEU N N 68 117.959 119.678 -1.719 1
1 904 . 2 1 1 A 71 71 LEU H H 68 8.336 8.643 -0.307 1
1 905 . 2 1 1 A 71 71 LEU CA C 68 57.468 57.847 -0.379 1
1 906 . 2 1 1 A 71 71 LEU HA H 68 3.828 3.934 -0.106 1
1 907 . 2 1 1 A 71 71 LEU CB C 68 42.156 41.517 0.639 1
1 919 . 2 1 1 A 71 71 LEU C C 68 178.037 179.221 -1.184 1
1 920 . 2 1 1 A 72 72 GLN N N 69 117.479 117.845 -0.366 1
1 921 . 2 1 1 A 72 72 GLN H H 69 8.802 8.343 0.459 1
1 922 . 2 1 1 A 72 72 GLN CA C 69 58.632 59.393 -0.761 1
1 923 . 2 1 1 A 72 72 GLN HA H 69 3.906 3.962 -0.056 1
1 924 . 2 1 1 A 72 72 GLN CB C 69 27.010 28.403 -1.393 1
1 933 . 2 1 1 A 72 72 GLN C C 69 179.337 178.111 1.226 1
1 934 . 2 1 1 A 73 73 ASN N N 70 117.551 116.378 1.173 1
1 935 . 2 1 1 A 73 73 ASN H H 70 8.124 8.353 -0.229 1
1 936 . 2 1 1 A 73 73 ASN CA C 70 54.051 55.066 -1.015 1
1 937 . 2 1 1 A 73 73 ASN HA H 70 4.602 4.532 0.070 1
1 938 . 2 1 1 A 73 73 ASN CB C 70 37.810 38.400 -0.590 1
1 944 . 2 1 1 A 73 73 ASN C C 70 175.490 177.933 -2.443 1
1 945 . 2 1 1 A 74 74 ALA N N 71 120.962 120.879 0.083 1
1 946 . 2 1 1 A 74 74 ALA H H 71 7.787 7.672 0.115 1
1 947 . 2 1 1 A 74 74 ALA CA C 71 53.143 54.257 -1.114 1
1 948 . 2 1 1 A 74 74 ALA HA H 71 4.193 4.171 0.022 1
1 952 . 2 1 1 A 74 74 ALA CB C 71 19.064 18.587 0.477 1
1 953 . 2 1 1 A 74 74 ALA C C 71 176.255 177.910 -1.655 1
1 954 . 2 1 1 A 75 75 LEU N N 72 112.822 111.201 1.621 1
1 955 . 2 1 1 A 75 75 LEU H H 72 7.381 7.553 -0.172 1
1 956 . 2 1 1 A 75 75 LEU CA C 72 52.987 53.603 -0.616 1
1 957 . 2 1 1 A 75 75 LEU HA H 72 4.305 4.587 -0.282 1
1 958 . 2 1 1 A 75 75 LEU CB C 72 41.490 41.931 -0.441 1
1 971 . 2 1 1 A 75 75 LEU C C 72 175.867 175.942 -0.075 1
1 972 . 2 1 1 A 76 76 VAL N N 73 120.671 122.726 -2.055 1
1 973 . 2 1 1 A 76 76 VAL H H 73 6.797 8.071 -1.274 1
1 974 . 2 1 1 A 76 76 VAL CA C 73 62.994 60.472 2.522 1
1 975 . 2 1 1 A 76 76 VAL HA H 73 3.707 4.477 -0.770 1
1 976 . 2 1 1 A 76 76 VAL CB C 73 32.014 34.419 -2.405 1
1 986 . 2 1 1 A 76 76 VAL C C 73 176.144 175.864 0.280 1
1 987 . 2 1 1 A 77 77 VAL N N 74 128.303 125.857 2.446 1
1 988 . 2 1 1 A 77 77 VAL H H 74 8.407 8.574 -0.167 1
1 989 . 2 1 1 A 77 77 VAL CA C 74 64.673 65.203 -0.530 1
1 990 . 2 1 1 A 77 77 VAL HA H 74 3.651 3.541 0.110 1
1 991 . 2 1 1 A 77 77 VAL CB C 74 30.789 31.380 -0.591 1
1 1001 . 2 1 1 A 77 77 VAL C C 74 176.911 177.359 -0.448 1
1 1002 . 2 1 1 A 78 78 GLY N N 75 116.087 115.488 0.599 1
1 1003 . 2 1 1 A 78 78 GLY H H 75 8.827 8.936 -0.109 1
1 1004 . 2 1 1 A 78 78 GLY CA C 75 45.004 46.324 -1.320 1
1 1005 . 2 1 1 A 78 78 GLY HA2 H 75 4.236 3.930 0.306 1
1 1006 . 2 1 1 A 78 78 GLY HA3 H 75 3.738 3.931 -0.193 1
1 1007 . 2 1 1 A 78 78 GLY C C 75 173.779 174.351 -0.572 1
1 1008 . 2 1 1 A 79 79 LYS N N 76 121.612 120.440 1.172 1
1 1009 . 2 1 1 A 79 79 LYS H H 76 8.140 7.717 0.423 1
1 1010 . 2 1 1 A 79 79 LYS CA C 76 54.078 55.482 -1.404 1
1 1011 . 2 1 1 A 79 79 LYS HA H 76 4.588 4.517 0.071 1
1 1012 . 2 1 1 A 79 79 LYS CB C 76 32.708 33.451 -0.743 1
1 1024 . 2 1 1 A 79 79 LYS C C 76 175.177 175.674 -0.497 1
1 1025 . 2 1 1 A 80 80 SER N N 77 117.166 117.255 -0.089 1
1 1026 . 2 1 1 A 80 80 SER H H 77 8.241 7.725 0.516 1
1 1027 . 2 1 1 A 80 80 SER CA C 77 59.173 59.409 -0.236 1
1 1028 . 2 1 1 A 80 80 SER HA H 77 4.356 4.553 -0.197 1
1 1029 . 2 1 1 A 80 80 SER CB C 77 63.288 64.032 -0.744 1
1 1032 . 2 1 1 A 80 80 SER C C 77 174.793 173.196 1.597 1
1 1033 . 2 1 1 A 81 81 ASP N N 78 118.775 121.313 -2.538 1
1 1034 . 2 1 1 A 81 81 ASP H H 78 8.506 8.699 -0.193 1
1 1035 . 2 1 1 A 81 81 ASP CA C 78 50.069 51.426 -1.357 1
1 1036 . 2 1 1 A 81 81 ASP HA H 78 5.423 5.118 0.305 1
1 1037 . 2 1 1 A 81 81 ASP CB C 78 41.498 41.380 0.118 1
1 1041 . 2 1 1 A 82 82 PRO CA C 79 63.656 64.315 -0.659 1
1 1042 . 2 1 1 A 82 82 PRO HA H 79 4.271 4.296 -0.025 1
1 1043 . 2 1 1 A 82 82 PRO CB C 79 31.303 31.806 -0.503 1
1 1051 . 2 1 1 A 82 82 PRO C C 79 178.645 178.222 0.423 1
1 1052 . 2 1 1 A 83 83 TYR N N 80 117.360 117.449 -0.089 1
1 1053 . 2 1 1 A 83 83 TYR H H 80 7.561 7.413 0.148 1
1 1054 . 2 1 1 A 83 83 TYR CA C 80 59.635 61.548 -1.913 1
1 1055 . 2 1 1 A 83 83 TYR HA H 80 4.163 4.422 -0.259 1
1 1056 . 2 1 1 A 83 83 TYR CB C 80 35.602 38.489 -2.887 1
1 1065 . 2 1 1 A 83 83 TYR C C 80 176.904 178.419 -1.515 1
1 1066 . 2 1 1 A 84 84 ARG N N 81 120.833 119.126 1.707 1
1 1067 . 2 1 1 A 84 84 ARG H H 81 7.898 8.331 -0.433 1
1 1068 . 2 1 1 A 84 84 ARG CA C 81 58.332 59.088 -0.756 1
1 1069 . 2 1 1 A 84 84 ARG HA H 81 4.615 3.868 0.747 1
1 1070 . 2 1 1 A 84 84 ARG CB C 81 28.242 29.952 -1.710 1
1 1071 . 2 1 1 A 84 84 ARG C C 81 176.940 179.226 -2.286 1
1 1072 . 2 1 1 A 85 85 VAL N N 82 117.345 119.970 -2.625 1
1 1073 . 2 1 1 A 85 85 VAL H H 82 6.971 8.143 -1.172 1
1 1074 . 2 1 1 A 85 85 VAL CA C 82 65.663 66.825 -1.162 1
1 1075 . 2 1 1 A 85 85 VAL HA H 82 3.417 3.547 -0.130 1
1 1076 . 2 1 1 A 85 85 VAL CB C 82 31.165 31.582 -0.417 1
1 1085 . 2 1 1 A 85 85 VAL C C 82 176.601 177.726 -1.125 1
1 1086 . 2 1 1 A 86 86 GLN N N 83 117.137 120.315 -3.178 1
1 1087 . 2 1 1 A 86 86 GLN H H 83 7.536 8.532 -0.996 1
1 1088 . 2 1 1 A 86 86 GLN CA C 83 58.230 58.422 -0.192 1
1 1089 . 2 1 1 A 86 86 GLN HA H 83 3.953 4.102 -0.149 1
1 1090 . 2 1 1 A 86 86 GLN CB C 83 28.240 28.648 -0.408 1
1 1099 . 2 1 1 A 86 86 GLN C C 83 178.602 178.064 0.538 1
1 1100 . 2 1 1 A 87 87 ALA N N 84 121.452 122.371 -0.919 1
1 1101 . 2 1 1 A 87 87 ALA H H 84 8.843 7.919 0.924 1
1 1102 . 2 1 1 A 87 87 ALA CA C 84 54.905 55.182 -0.277 1
1 1103 . 2 1 1 A 87 87 ALA HA H 84 4.048 4.144 -0.096 1
1 1107 . 2 1 1 A 87 87 ALA CB C 84 18.088 18.606 -0.518 1
1 1108 . 2 1 1 A 87 87 ALA C C 84 178.498 179.912 -1.414 1
1 1109 . 2 1 1 A 88 88 VAL N N 85 117.570 118.192 -0.622 1
1 1110 . 2 1 1 A 88 88 VAL H H 85 8.515 8.346 0.169 1
1 1111 . 2 1 1 A 88 88 VAL CA C 85 67.315 66.278 1.037 1
1 1112 . 2 1 1 A 88 88 VAL HA H 85 3.764 3.463 0.301 1
1 1113 . 2 1 1 A 88 88 VAL CB C 85 30.610 31.656 -1.046 1
1 1123 . 2 1 1 A 88 88 VAL C C 85 177.138 177.796 -0.658 1
1 1124 . 2 1 1 A 89 89 LYS N N 86 120.005 120.580 -0.575 1
1 1125 . 2 1 1 A 89 89 LYS H H 86 8.612 8.517 0.095 1
1 1126 . 2 1 1 A 89 89 LYS CA C 86 60.851 59.362 1.489 1
1 1127 . 2 1 1 A 89 89 LYS HA H 86 3.827 3.948 -0.121 1
1 1128 . 2 1 1 A 89 89 LYS CB C 86 31.974 32.261 -0.287 1
1 1140 . 2 1 1 A 89 89 LYS C C 86 178.096 178.576 -0.480 1
1 1141 . 2 1 1 A 90 90 PHE N N 87 119.839 120.259 -0.420 1
1 1142 . 2 1 1 A 90 90 PHE H H 87 8.184 7.848 0.336 1
1 1143 . 2 1 1 A 90 90 PHE CA C 87 60.604 61.294 -0.690 1
1 1144 . 2 1 1 A 90 90 PHE HA H 87 4.302 4.149 0.153 1
1 1145 . 2 1 1 A 90 90 PHE CB C 87 38.349 39.419 -1.070 1
1 1154 . 2 1 1 A 90 90 PHE C C 87 177.748 177.467 0.281 1
1 1155 . 2 1 1 A 91 91 LEU N N 88 118.977 119.795 -0.818 1
1 1156 . 2 1 1 A 91 91 LEU H H 88 8.604 8.484 0.120 1
1 1157 . 2 1 1 A 91 91 LEU CA C 88 58.058 58.452 -0.394 1
1 1158 . 2 1 1 A 91 91 LEU HA H 88 3.975 3.808 0.167 1
1 1159 . 2 1 1 A 91 91 LEU CB C 88 41.114 42.035 -0.921 1
1 1169 . 2 1 1 A 91 91 LEU C C 88 178.106 179.190 -1.084 1
1 1170 . 2 1 1 A 92 92 ILE N N 89 118.378 118.640 -0.262 1
1 1171 . 2 1 1 A 92 92 ILE H H 89 8.420 8.356 0.064 1
1 1172 . 2 1 1 A 92 92 ILE CA C 89 65.761 65.588 0.173 1
1 1173 . 2 1 1 A 92 92 ILE HA H 89 3.542 3.465 0.077 1
1 1174 . 2 1 1 A 92 92 ILE CB C 89 37.372 37.942 -0.570 1
1 1184 . 2 1 1 A 92 92 ILE C C 89 176.952 178.240 -1.288 1
1 1185 . 2 1 1 A 93 93 GLU N N 90 120.262 120.593 -0.331 1
1 1186 . 2 1 1 A 93 93 GLU H H 90 8.133 8.119 0.014 1
1 1187 . 2 1 1 A 93 93 GLU CA C 90 58.766 59.939 -1.173 1
1 1188 . 2 1 1 A 93 93 GLU HA H 90 4.038 3.817 0.221 1
1 1189 . 2 1 1 A 93 93 GLU CB C 90 28.466 29.020 -0.554 1
1 1195 . 2 1 1 A 93 93 GLU C C 90 178.689 179.003 -0.314 1
1 1196 . 2 1 1 A 94 94 ARG N N 91 117.630 119.338 -1.708 1
1 1197 . 2 1 1 A 94 94 ARG H H 91 7.952 8.106 -0.154 1
1 1198 . 2 1 1 A 94 94 ARG CA C 91 58.343 58.867 -0.524 1
1 1199 . 2 1 1 A 94 94 ARG HA H 91 3.941 3.933 0.008 1
1 1200 . 2 1 1 A 94 94 ARG CB C 91 29.048 29.887 -0.839 1
1 1215 . 2 1 1 A 94 94 ARG C C 91 178.875 178.536 0.339 1
1 1216 . 2 1 1 A 95 95 ILE N N 92 120.056 120.761 -0.705 1
1 1217 . 2 1 1 A 95 95 ILE H H 92 8.225 8.016 0.209 1
1 1218 . 2 1 1 A 95 95 ILE CA C 92 63.296 65.002 -1.706 1
1 1219 . 2 1 1 A 95 95 ILE HA H 92 3.972 3.713 0.259 1
1 1220 . 2 1 1 A 95 95 ILE CB C 92 36.921 37.770 -0.849 1
1 1233 . 2 1 1 A 95 95 ILE C C 92 180.242 178.319 1.923 1
1 1234 . 2 1 1 A 96 96 ARG N N 93 121.023 120.696 0.327 1
1 1235 . 2 1 1 A 96 96 ARG H H 93 8.259 8.604 -0.345 1
1 1236 . 2 1 1 A 96 96 ARG CA C 93 58.401 57.781 0.620 1
1 1237 . 2 1 1 A 96 96 ARG HA H 93 4.068 4.157 -0.089 1
1 1238 . 2 1 1 A 96 96 ARG CB C 93 29.474 29.066 0.408 1
1 1254 . 2 1 1 A 96 96 ARG C C 93 177.500 177.062 0.438 1
1 1255 . 2 1 1 A 97 97 LYS N N 94 116.750 118.012 -1.262 1
1 1256 . 2 1 1 A 97 97 LYS H H 94 7.527 7.488 0.039 1
1 1257 . 2 1 1 A 97 97 LYS CA C 94 55.282 55.731 -0.449 1
1 1258 . 2 1 1 A 97 97 LYS HA H 94 4.274 4.348 -0.074 1
1 1259 . 2 1 1 A 97 97 LYS CB C 94 32.112 33.552 -1.440 1
1 1271 . 2 1 1 A 97 97 LYS C C 94 174.901 175.750 -0.849 1
1 1272 . 2 1 1 A 98 98 ASN N N 95 116.979 116.455 0.524 1
1 1273 . 2 1 1 A 98 98 ASN H H 95 8.150 7.989 0.161 1
1 1274 . 2 1 1 A 98 98 ASN CA C 95 53.822 54.444 -0.622 1
1 1275 . 2 1 1 A 98 98 ASN HA H 95 4.370 4.236 0.134 1
1 1276 . 2 1 1 A 98 98 ASN CB C 95 36.674 37.286 -0.612 1
1 1282 . 2 1 1 A 98 98 ASN C C 95 173.779 174.168 -0.389 1
1 1283 . 2 1 1 A 99 99 GLU N N 96 118.529 118.432 0.097 1
1 1284 . 2 1 1 A 99 99 GLU H H 96 8.236 8.275 -0.039 1
1 1285 . 2 1 1 A 99 99 GLU CA C 96 52.891 54.220 -1.329 1
1 1286 . 2 1 1 A 99 99 GLU HA H 96 4.673 4.660 0.013 1
1 1287 . 2 1 1 A 99 99 GLU CB C 96 30.358 28.992 1.366 1
1 1292 . 2 1 1 A 100 100 PRO CA C 97 62.037 62.631 -0.594 1
1 1293 . 2 1 1 A 100 100 PRO HA H 97 4.272 4.602 -0.330 1
1 1294 . 2 1 1 A 100 100 PRO CB C 97 31.609 32.600 -0.991 1
1 1302 . 2 1 1 A 100 100 PRO C C 97 176.184 175.697 0.487 1
1 1303 . 2 1 1 A 101 101 LEU N N 98 122.794 123.422 -0.628 1
1 1304 . 2 1 1 A 101 101 LEU H H 98 8.832 8.466 0.366 1
1 1305 . 2 1 1 A 101 101 LEU CA C 98 52.524 52.149 0.375 1
1 1306 . 2 1 1 A 101 101 LEU HA H 98 4.654 4.911 -0.257 1
1 1307 . 2 1 1 A 101 101 LEU CB C 98 40.422 42.443 -2.021 1
1 1321 . 2 1 1 A 102 102 PRO CA C 99 61.075 62.232 -1.157 1
1 1322 . 2 1 1 A 102 102 PRO HA H 99 4.629 4.634 -0.005 1
1 1323 . 2 1 1 A 102 102 PRO CB C 99 31.778 33.159 -1.381 1
1 1328 . 2 1 1 A 102 102 PRO C C 99 174.604 176.378 -1.774 1
1 1329 . 2 1 1 A 103 103 VAL N N 100 120.834 120.948 -0.114 1
1 1330 . 2 1 1 A 103 103 VAL H H 100 8.661 8.526 0.135 1
1 1331 . 2 1 1 A 103 103 VAL CA C 100 62.977 62.803 0.174 1
1 1332 . 2 1 1 A 103 103 VAL HA H 100 3.860 4.098 -0.238 1
1 1333 . 2 1 1 A 103 103 VAL CB C 100 31.731 32.071 -0.340 1
1 1342 . 2 1 1 A 103 103 VAL C C 100 177.396 176.226 1.170 1
1 1343 . 2 1 1 A 104 104 TYR N N 101 129.973 127.054 2.919 1
1 1344 . 2 1 1 A 104 104 TYR H H 101 8.487 9.194 -0.707 1
1 1345 . 2 1 1 A 104 104 TYR CA C 101 62.855 61.980 0.875 1
1 1346 . 2 1 1 A 104 104 TYR HA H 101 3.802 4.094 -0.292 1
1 1347 . 2 1 1 A 104 104 TYR CB C 101 38.429 38.790 -0.361 1
1 1356 . 2 1 1 A 104 104 TYR C C 101 175.877 177.572 -1.695 1
1 1357 . 2 1 1 A 105 105 LYS N N 102 117.165 119.189 -2.024 1
1 1358 . 2 1 1 A 105 105 LYS H H 102 8.848 8.241 0.607 1
1 1359 . 2 1 1 A 105 105 LYS CA C 102 59.343 59.546 -0.203 1
1 1360 . 2 1 1 A 105 105 LYS HA H 102 3.810 3.891 -0.081 1
1 1361 . 2 1 1 A 105 105 LYS CB C 102 31.739 32.152 -0.413 1
1 1373 . 2 1 1 A 105 105 LYS C C 102 177.370 178.142 -0.772 1
1 1374 . 2 1 1 A 106 106 ASP N N 103 117.011 120.344 -3.333 1
1 1375 . 2 1 1 A 106 106 ASP H H 103 6.781 8.185 -1.404 1
1 1376 . 2 1 1 A 106 106 ASP CA C 103 56.155 57.742 -1.587 1
1 1377 . 2 1 1 A 106 106 ASP HA H 103 4.454 4.297 0.157 1
1 1378 . 2 1 1 A 106 106 ASP CB C 103 39.467 41.535 -2.068 1
1 1381 . 2 1 1 A 106 106 ASP C C 103 178.180 178.143 0.037 1
1 1382 . 2 1 1 A 107 107 LEU N N 104 124.145 119.853 4.292 1
1 1383 . 2 1 1 A 107 107 LEU H H 104 7.687 8.307 -0.620 1
1 1384 . 2 1 1 A 107 107 LEU CA C 104 56.938 57.974 -1.036 1
1 1385 . 2 1 1 A 107 107 LEU HA H 104 4.000 3.949 0.051 1
1 1386 . 2 1 1 A 107 107 LEU CB C 104 41.707 41.730 -0.023 1
1 1399 . 2 1 1 A 107 107 LEU C C 104 176.403 178.716 -2.313 1
1 1400 . 2 1 1 A 108 108 TRP N N 105 120.039 120.445 -0.406 1
1 1401 . 2 1 1 A 108 108 TRP H H 105 9.072 8.230 0.842 1
1 1402 . 2 1 1 A 108 108 TRP CA C 105 62.392 60.091 2.301 1
1 1403 . 2 1 1 A 108 108 TRP HA H 105 3.547 3.909 -0.362 1
1 1404 . 2 1 1 A 108 108 TRP CB C 105 28.316 29.142 -0.826 1
1 1415 . 2 1 1 A 108 108 TRP C C 105 176.983 178.093 -1.110 1
1 1416 . 2 1 1 A 109 109 ASN N N 106 113.557 116.723 -3.166 1
1 1417 . 2 1 1 A 109 109 ASN H H 106 8.058 8.224 -0.166 1
1 1418 . 2 1 1 A 109 109 ASN CA C 106 55.662 55.859 -0.197 1
1 1419 . 2 1 1 A 109 109 ASN HA H 106 3.994 3.821 0.173 1
1 1420 . 2 1 1 A 109 109 ASN CB C 106 37.973 37.662 0.311 1
1 1426 . 2 1 1 A 109 109 ASN C C 106 176.928 177.442 -0.514 1
1 1427 . 2 1 1 A 110 110 ALA N N 107 121.997 122.462 -0.465 1
1 1428 . 2 1 1 A 110 110 ALA H H 107 7.718 7.731 -0.013 1
1 1429 . 2 1 1 A 110 110 ALA CA C 107 54.261 55.012 -0.751 1
1 1430 . 2 1 1 A 110 110 ALA HA H 107 3.979 4.031 -0.052 1
1 1434 . 2 1 1 A 110 110 ALA CB C 107 17.322 18.448 -1.126 1
1 1435 . 2 1 1 A 110 110 ALA C C 107 180.452 179.928 0.524 1
1 1436 . 2 1 1 A 111 111 LEU N N 108 119.150 117.820 1.330 1
1 1437 . 2 1 1 A 111 111 LEU H H 108 8.200 8.123 0.077 1
1 1438 . 2 1 1 A 111 111 LEU CA C 108 56.264 57.495 -1.231 1
1 1439 . 2 1 1 A 111 111 LEU HA H 108 3.857 3.947 -0.090 1
1 1440 . 2 1 1 A 111 111 LEU CB C 108 41.134 41.023 0.111 1
1 1453 . 2 1 1 A 111 111 LEU C C 108 178.144 179.328 -1.184 1
1 1454 . 2 1 1 A 112 112 ARG N N 109 117.178 119.932 -2.754 1
1 1455 . 2 1 1 A 112 112 ARG H H 109 7.365 8.017 -0.652 1
1 1456 . 2 1 1 A 112 112 ARG CA C 109 56.443 59.722 -3.279 1
1 1457 . 2 1 1 A 112 112 ARG HA H 109 2.642 3.953 -1.311 1
1 1458 . 2 1 1 A 112 112 ARG CB C 109 28.901 29.612 -0.711 1
1 1469 . 2 1 1 A 112 112 ARG C C 109 176.348 178.729 -2.381 1
1 1470 . 2 1 1 A 113 113 LYS N N 110 118.628 120.255 -1.627 1
1 1471 . 2 1 1 A 113 113 LYS H H 110 7.145 7.953 -0.808 1
1 1472 . 2 1 1 A 113 113 LYS CA C 110 56.410 58.448 -2.038 1
1 1473 . 2 1 1 A 113 113 LYS HA H 110 4.018 4.057 -0.039 1
1 1474 . 2 1 1 A 113 113 LYS CB C 110 32.091 31.929 0.162 1
1 1486 . 2 1 1 A 113 113 LYS C C 110 176.164 179.244 -3.080 1
1 5 . 3 1 1 A 2 2 SER N N -2 115.414 116.057 -0.643 1
1 6 . 3 1 1 A 2 2 SER H H -2 8.737 8.614 0.123 1
1 7 . 3 1 1 A 2 2 SER CA C -2 57.710 59.131 -1.421 1
1 8 . 3 1 1 A 2 2 SER HA H -2 4.446 4.616 -0.170 1
1 9 . 3 1 1 A 2 2 SER CB C -2 63.365 65.847 -2.482 1
1 12 . 3 1 1 A 2 2 SER C C -2 173.826 174.085 -0.259 1
1 40 . 3 1 1 A 5 5 ILE N N 2 122.114 119.947 2.167 1
1 41 . 3 1 1 A 5 5 ILE H H 2 8.292 7.533 0.759 1
1 42 . 3 1 1 A 5 5 ILE CA C 2 60.568 59.639 0.929 1
1 43 . 3 1 1 A 5 5 ILE HA H 2 4.102 4.932 -0.830 1
1 44 . 3 1 1 A 5 5 ILE CB C 2 38.417 42.045 -3.628 1
1 57 . 3 1 1 A 5 5 ILE C C 2 174.970 174.341 0.629 1
1 58 . 3 1 1 A 6 6 ASN N N 3 122.794 120.884 1.910 1
1 59 . 3 1 1 A 6 6 ASN H H 3 8.636 8.819 -0.183 1
1 60 . 3 1 1 A 6 6 ASN CA C 3 52.274 53.247 -0.973 1
1 61 . 3 1 1 A 6 6 ASN HA H 3 4.712 5.233 -0.521 1
1 62 . 3 1 1 A 6 6 ASN CB C 3 38.194 42.478 -4.284 1
1 68 . 3 1 1 A 6 6 ASN C C 3 174.766 175.227 -0.461 1
1 69 . 3 1 1 A 7 7 LEU N N 4 123.220 126.986 -3.766 1
1 70 . 3 1 1 A 7 7 LEU H H 4 8.484 9.034 -0.550 1
1 71 . 3 1 1 A 7 7 LEU CA C 4 55.359 57.735 -2.376 1
1 72 . 3 1 1 A 7 7 LEU HA H 4 4.197 4.297 -0.100 1
1 73 . 3 1 1 A 7 7 LEU CB C 4 41.461 42.086 -0.625 1
1 86 . 3 1 1 A 7 7 LEU C C 4 177.248 178.456 -1.208 1
1 87 . 3 1 1 A 8 8 GLU N N 5 119.354 116.147 3.207 1
1 88 . 3 1 1 A 8 8 GLU H H 5 8.455 7.712 0.743 1
1 89 . 3 1 1 A 8 8 GLU CA C 5 56.589 56.644 -0.055 1
1 90 . 3 1 1 A 8 8 GLU HA H 5 4.091 4.392 -0.301 1
1 91 . 3 1 1 A 8 8 GLU CB C 5 29.275 30.308 -1.033 1
1 97 . 3 1 1 A 8 8 GLU C C 5 175.981 176.148 -0.167 1
1 98 . 3 1 1 A 9 9 ASP N N 6 119.780 121.569 -1.789 1
1 99 . 3 1 1 A 9 9 ASP H H 6 8.136 8.604 -0.468 1
1 100 . 3 1 1 A 9 9 ASP CA C 6 53.931 53.027 0.904 1
1 101 . 3 1 1 A 9 9 ASP HA H 6 4.492 5.022 -0.530 1
1 102 . 3 1 1 A 9 9 ASP CB C 6 40.360 42.042 -1.682 1
1 105 . 3 1 1 A 9 9 ASP C C 6 175.397 175.691 -0.294 1
1 106 . 3 1 1 A 10 10 TYR N N 7 119.939 120.836 -0.897 1
1 107 . 3 1 1 A 10 10 TYR H H 7 7.902 7.780 0.122 1
1 108 . 3 1 1 A 10 10 TYR CA C 7 57.667 57.321 0.346 1
1 109 . 3 1 1 A 10 10 TYR HA H 7 4.431 4.763 -0.332 1
1 110 . 3 1 1 A 10 10 TYR CB C 7 38.236 39.501 -1.265 1
1 119 . 3 1 1 A 10 10 TYR C C 7 174.898 175.723 -0.825 1
1 120 . 3 1 1 A 11 11 TRP N N 8 122.648 121.132 1.516 1
1 121 . 3 1 1 A 11 11 TRP H H 8 7.917 8.188 -0.271 1
1 122 . 3 1 1 A 11 11 TRP CA C 8 56.562 58.132 -1.570 1
1 123 . 3 1 1 A 11 11 TRP HA H 8 4.578 4.777 -0.199 1
1 124 . 3 1 1 A 11 11 TRP CB C 8 29.293 30.333 -1.040 1
1 139 . 3 1 1 A 11 11 TRP C C 8 175.212 176.473 -1.261 1
1 140 . 3 1 1 A 12 12 GLU N N 9 122.189 115.248 6.941 1
1 141 . 3 1 1 A 12 12 GLU H H 9 8.030 7.853 0.177 1
1 142 . 3 1 1 A 12 12 GLU CA C 9 55.743 55.675 0.068 1
1 143 . 3 1 1 A 12 12 GLU HA H 9 4.137 4.652 -0.515 1
1 144 . 3 1 1 A 12 12 GLU CB C 9 30.001 32.520 -2.519 1
1 150 . 3 1 1 A 12 12 GLU C C 9 175.138 174.876 0.262 1
1 151 . 3 1 1 A 13 13 ASP N N 10 121.099 120.690 0.409 1
1 152 . 3 1 1 A 13 13 ASP H H 10 8.253 9.143 -0.890 1
1 153 . 3 1 1 A 13 13 ASP CA C 10 53.843 54.146 -0.303 1
1 154 . 3 1 1 A 13 13 ASP HA H 10 4.500 4.954 -0.454 1
1 155 . 3 1 1 A 13 13 ASP CB C 10 40.715 42.042 -1.327 1
1 158 . 3 1 1 A 13 13 ASP C C 10 175.700 175.726 -0.026 1
1 159 . 3 1 1 A 14 14 GLU N N 11 121.240 118.446 2.794 1
1 160 . 3 1 1 A 14 14 GLU H H 11 8.435 7.914 0.521 1
1 161 . 3 1 1 A 14 14 GLU CA C 11 55.858 55.562 0.296 1
1 162 . 3 1 1 A 14 14 GLU HA H 11 4.289 4.551 -0.262 1
1 163 . 3 1 1 A 14 14 GLU CB C 11 29.758 30.672 -0.914 1
1 169 . 3 1 1 A 14 14 GLU C C 11 176.002 174.848 1.154 1
1 170 . 3 1 1 A 15 15 THR N N 12 118.367 112.810 5.557 1
1 171 . 3 1 1 A 15 15 THR H H 12 8.407 7.221 1.186 1
1 172 . 3 1 1 A 15 15 THR CA C 12 59.646 59.758 -0.112 1
1 173 . 3 1 1 A 15 15 THR HA H 12 4.503 4.554 -0.051 1
1 174 . 3 1 1 A 15 15 THR CB C 12 69.084 68.729 0.355 1
1 181 . 3 1 1 A 16 16 PRO CA C 13 62.791 62.570 0.221 1
1 182 . 3 1 1 A 16 16 PRO HA H 13 4.408 4.547 -0.139 1
1 183 . 3 1 1 A 16 16 PRO CB C 13 31.771 33.485 -1.714 1
1 191 . 3 1 1 A 16 16 PRO C C 13 176.689 176.144 0.545 1
1 192 . 3 1 1 A 17 17 GLY N N 14 109.540 107.656 1.884 1
1 193 . 3 1 1 A 17 17 GLY H H 14 8.423 8.217 0.206 1
1 194 . 3 1 1 A 17 17 GLY CA C 14 44.219 45.675 -1.456 1
1 195 . 3 1 1 A 17 17 GLY HA2 H 14 4.010 4.199 -0.189 1
1 196 . 3 1 1 A 17 17 GLY HA3 H 14 4.159 4.202 -0.043 1
1 198 . 3 1 1 A 18 18 PRO CA C 15 62.843 62.865 -0.022 1
1 199 . 3 1 1 A 18 18 PRO HA H 15 4.412 4.577 -0.165 1
1 200 . 3 1 1 A 18 18 PRO CB C 15 31.667 32.776 -1.109 1
1 208 . 3 1 1 A 18 18 PRO C C 15 176.447 176.741 -0.294 1
1 209 . 3 1 1 A 19 19 ASP N N 16 119.197 121.577 -2.380 1
1 210 . 3 1 1 A 19 19 ASP H H 16 8.517 8.978 -0.461 1
1 211 . 3 1 1 A 19 19 ASP CA C 16 53.940 54.136 -0.196 1
1 212 . 3 1 1 A 19 19 ASP HA H 16 4.559 4.820 -0.261 1
1 213 . 3 1 1 A 19 19 ASP CB C 16 40.180 41.554 -1.374 1
1 216 . 3 1 1 A 19 19 ASP C C 16 175.764 176.505 -0.741 1
1 217 . 3 1 1 A 20 20 ARG N N 17 120.435 115.659 4.776 1
1 218 . 3 1 1 A 20 20 ARG H H 17 8.201 7.818 0.383 1
1 219 . 3 1 1 A 20 20 ARG CA C 17 55.216 56.579 -1.363 1
1 220 . 3 1 1 A 20 20 ARG HA H 17 4.356 4.531 -0.175 1
1 221 . 3 1 1 A 20 20 ARG CB C 17 30.184 31.242 -1.058 1
1 237 . 3 1 1 A 20 20 ARG C C 17 175.724 176.025 -0.301 1
1 238 . 3 1 1 A 21 21 GLU N N 18 122.477 118.351 4.126 1
1 239 . 3 1 1 A 21 21 GLU H H 18 8.371 7.655 0.716 1
1 240 . 3 1 1 A 21 21 GLU CA C 18 53.658 55.425 -1.767 1
1 241 . 3 1 1 A 21 21 GLU HA H 18 4.657 4.470 0.187 1
1 242 . 3 1 1 A 21 21 GLU CB C 18 28.984 29.945 -0.961 1
1 249 . 3 1 1 A 22 22 PRO CA C 19 62.442 62.431 0.011 1
1 250 . 3 1 1 A 22 22 PRO HA H 19 4.516 4.587 -0.071 1
1 251 . 3 1 1 A 22 22 PRO CB C 19 31.903 33.149 -1.246 1
1 259 . 3 1 1 A 22 22 PRO C C 19 176.323 175.183 1.140 1
1 260 . 3 1 1 A 23 23 THR N N 20 112.531 114.161 -1.630 1
1 261 . 3 1 1 A 23 23 THR H H 20 7.946 8.347 -0.401 1
1 262 . 3 1 1 A 23 23 THR CA C 20 60.521 61.060 -0.539 1
1 263 . 3 1 1 A 23 23 THR HA H 20 4.373 4.685 -0.312 1
1 264 . 3 1 1 A 23 23 THR CB C 20 70.238 72.222 -1.984 1
1 270 . 3 1 1 A 23 23 THR C C 20 174.678 174.823 -0.145 1
1 271 . 3 1 1 A 24 24 ASN N N 21 120.631 123.195 -2.564 1
1 272 . 3 1 1 A 24 24 ASN H H 21 8.958 9.156 -0.198 1
1 273 . 3 1 1 A 24 24 ASN CA C 21 54.854 57.212 -2.358 1
1 274 . 3 1 1 A 24 24 ASN HA H 21 4.467 4.393 0.074 1
1 275 . 3 1 1 A 24 24 ASN CB C 21 37.535 37.957 -0.422 1
1 281 . 3 1 1 A 24 24 ASN C C 21 176.397 177.446 -1.049 1
1 282 . 3 1 1 A 25 25 GLU N N 22 120.237 119.019 1.218 1
1 283 . 3 1 1 A 25 25 GLU H H 22 8.644 8.208 0.436 1
1 284 . 3 1 1 A 25 25 GLU CA C 22 59.195 58.833 0.362 1
1 285 . 3 1 1 A 25 25 GLU HA H 22 4.076 4.114 -0.038 1
1 286 . 3 1 1 A 25 25 GLU CB C 22 28.567 29.415 -0.848 1
1 292 . 3 1 1 A 25 25 GLU C C 22 177.942 178.698 -0.756 1
1 293 . 3 1 1 A 26 26 LEU N N 23 122.376 121.428 0.948 1
1 294 . 3 1 1 A 26 26 LEU H H 23 8.109 8.011 0.098 1
1 295 . 3 1 1 A 26 26 LEU CA C 23 56.940 58.200 -1.260 1
1 296 . 3 1 1 A 26 26 LEU HA H 23 4.247 3.977 0.270 1
1 297 . 3 1 1 A 26 26 LEU CB C 23 40.425 41.901 -1.476 1
1 310 . 3 1 1 A 26 26 LEU C C 23 178.298 178.321 -0.023 1
1 311 . 3 1 1 A 27 27 ARG N N 24 118.606 118.207 0.399 1
1 312 . 3 1 1 A 27 27 ARG H H 24 8.225 8.192 0.033 1
1 313 . 3 1 1 A 27 27 ARG CA C 24 59.892 58.948 0.944 1
1 314 . 3 1 1 A 27 27 ARG HA H 24 3.875 4.036 -0.161 1
1 315 . 3 1 1 A 27 27 ARG CB C 24 28.853 29.678 -0.825 1
1 331 . 3 1 1 A 27 27 ARG C C 24 178.374 178.541 -0.167 1
1 332 . 3 1 1 A 28 28 ASN N N 25 117.812 118.523 -0.711 1
1 333 . 3 1 1 A 28 28 ASN H H 25 8.146 8.204 -0.058 1
1 334 . 3 1 1 A 28 28 ASN CA C 25 55.753 56.546 -0.793 1
1 335 . 3 1 1 A 28 28 ASN HA H 25 4.452 4.449 0.003 1
1 336 . 3 1 1 A 28 28 ASN CB C 25 37.388 38.949 -1.561 1
1 342 . 3 1 1 A 28 28 ASN C C 25 177.043 177.723 -0.680 1
1 343 . 3 1 1 A 29 29 GLU N N 26 121.177 118.195 2.982 1
1 344 . 3 1 1 A 29 29 GLU H H 26 8.247 8.521 -0.274 1
1 345 . 3 1 1 A 29 29 GLU CA C 26 58.897 59.195 -0.298 1
1 346 . 3 1 1 A 29 29 GLU HA H 26 4.075 4.065 0.010 1
1 347 . 3 1 1 A 29 29 GLU CB C 26 29.202 29.657 -0.455 1
1 353 . 3 1 1 A 29 29 GLU C C 26 180.215 179.809 0.406 1
1 354 . 3 1 1 A 30 30 VAL N N 27 123.509 121.341 2.168 1
1 355 . 3 1 1 A 30 30 VAL H H 27 8.793 7.710 1.083 1
1 356 . 3 1 1 A 30 30 VAL CA C 27 68.051 66.895 1.156 1
1 357 . 3 1 1 A 30 30 VAL HA H 27 3.413 3.540 -0.127 1
1 358 . 3 1 1 A 30 30 VAL CB C 27 31.196 31.430 -0.234 1
1 368 . 3 1 1 A 30 30 VAL C C 27 176.589 178.059 -1.470 1
1 369 . 3 1 1 A 31 31 GLU N N 28 119.159 119.128 0.031 1
1 370 . 3 1 1 A 31 31 GLU H H 28 8.042 8.268 -0.226 1
1 371 . 3 1 1 A 31 31 GLU CA C 28 59.379 59.600 -0.221 1
1 372 . 3 1 1 A 31 31 GLU HA H 28 3.946 4.050 -0.104 1
1 373 . 3 1 1 A 31 31 GLU CB C 28 28.603 29.339 -0.736 1
1 379 . 3 1 1 A 31 31 GLU C C 28 179.282 179.285 -0.003 1
1 380 . 3 1 1 A 32 32 GLU N N 29 118.871 118.667 0.204 1
1 381 . 3 1 1 A 32 32 GLU H H 29 8.550 8.202 0.348 1
1 382 . 3 1 1 A 32 32 GLU CA C 29 58.770 59.124 -0.354 1
1 383 . 3 1 1 A 32 32 GLU HA H 29 4.056 4.085 -0.029 1
1 384 . 3 1 1 A 32 32 GLU CB C 29 29.214 28.983 0.231 1
1 390 . 3 1 1 A 32 32 GLU C C 29 178.791 178.961 -0.170 1
1 391 . 3 1 1 A 33 33 THR N N 30 117.719 116.457 1.262 1
1 392 . 3 1 1 A 33 33 THR H H 30 8.205 8.187 0.018 1
1 393 . 3 1 1 A 33 33 THR CA C 30 67.465 66.997 0.468 1
1 394 . 3 1 1 A 33 33 THR HA H 30 3.816 4.066 -0.250 1
1 395 . 3 1 1 A 33 33 THR CB C 30 66.888 67.911 -1.023 1
1 401 . 3 1 1 A 33 33 THR C C 30 175.681 177.052 -1.371 1
1 402 . 3 1 1 A 34 34 ILE N N 31 123.925 121.347 2.578 1
1 403 . 3 1 1 A 34 34 ILE H H 31 8.698 7.983 0.715 1
1 404 . 3 1 1 A 34 34 ILE CA C 31 66.438 64.604 1.834 1
1 405 . 3 1 1 A 34 34 ILE HA H 31 3.442 3.718 -0.276 1
1 406 . 3 1 1 A 34 34 ILE CB C 31 37.311 37.434 -0.123 1
1 416 . 3 1 1 A 34 34 ILE C C 31 176.731 178.096 -1.365 1
1 417 . 3 1 1 A 35 35 THR N N 32 116.478 118.073 -1.595 1
1 418 . 3 1 1 A 35 35 THR H H 32 7.956 8.131 -0.175 1
1 419 . 3 1 1 A 35 35 THR CA C 32 66.447 67.172 -0.725 1
1 420 . 3 1 1 A 35 35 THR HA H 32 3.929 3.974 -0.045 1
1 421 . 3 1 1 A 35 35 THR CB C 32 67.964 67.903 0.061 1
1 427 . 3 1 1 A 35 35 THR C C 32 176.226 176.940 -0.714 1
1 428 . 3 1 1 A 36 36 LEU N N 33 119.834 120.471 -0.637 1
1 429 . 3 1 1 A 36 36 LEU H H 33 7.663 7.882 -0.219 1
1 430 . 3 1 1 A 36 36 LEU CA C 33 57.274 57.661 -0.387 1
1 431 . 3 1 1 A 36 36 LEU HA H 33 4.075 4.000 0.075 1
1 432 . 3 1 1 A 36 36 LEU CB C 33 42.188 41.705 0.483 1
1 445 . 3 1 1 A 36 36 LEU C C 33 179.412 179.085 0.327 1
1 446 . 3 1 1 A 37 37 MET N N 34 119.993 117.826 2.167 1
1 447 . 3 1 1 A 37 37 MET H H 34 8.509 8.408 0.101 1
1 448 . 3 1 1 A 37 37 MET CA C 34 57.865 57.912 -0.047 1
1 449 . 3 1 1 A 37 37 MET HA H 34 3.865 4.219 -0.354 1
1 450 . 3 1 1 A 37 37 MET CB C 34 28.735 32.434 -3.699 1
1 460 . 3 1 1 A 37 37 MET C C 34 178.772 178.305 0.467 1
1 461 . 3 1 1 A 38 38 GLU N N 35 120.011 120.652 -0.641 1
1 462 . 3 1 1 A 38 38 GLU H H 35 8.321 8.215 0.106 1
1 463 . 3 1 1 A 38 38 GLU CA C 35 58.442 58.838 -0.396 1
1 464 . 3 1 1 A 38 38 GLU HA H 35 3.928 4.062 -0.134 1
1 465 . 3 1 1 A 38 38 GLU CB C 35 28.943 29.583 -0.640 1
1 471 . 3 1 1 A 38 38 GLU C C 35 176.040 177.833 -1.793 1
1 472 . 3 1 1 A 39 39 LEU N N 36 118.349 117.541 0.808 1
1 473 . 3 1 1 A 39 39 LEU H H 36 7.441 7.576 -0.135 1
1 474 . 3 1 1 A 39 39 LEU CA C 36 54.614 54.104 0.510 1
1 475 . 3 1 1 A 39 39 LEU HA H 36 4.393 4.496 -0.103 1
1 476 . 3 1 1 A 39 39 LEU CB C 36 42.210 41.192 1.018 1
1 489 . 3 1 1 A 39 39 LEU C C 36 178.113 176.386 1.727 1
1 490 . 3 1 1 A 40 40 LEU N N 37 118.362 121.980 -3.618 1
1 491 . 3 1 1 A 40 40 LEU H H 37 7.464 7.293 0.171 1
1 492 . 3 1 1 A 40 40 LEU CA C 37 54.659 55.809 -1.150 1
1 493 . 3 1 1 A 40 40 LEU HA H 37 4.400 4.121 0.279 1
1 494 . 3 1 1 A 40 40 LEU CB C 37 40.993 42.340 -1.347 1
1 507 . 3 1 1 A 40 40 LEU C C 37 177.827 176.580 1.247 1
1 508 . 3 1 1 A 41 41 LYS N N 38 120.851 121.267 -0.416 1
1 509 . 3 1 1 A 41 41 LYS H H 38 9.254 8.101 1.153 1
1 510 . 3 1 1 A 41 41 LYS CA C 38 54.727 54.351 0.376 1
1 511 . 3 1 1 A 41 41 LYS HA H 38 4.572 4.628 -0.056 1
1 512 . 3 1 1 A 41 41 LYS CB C 38 33.768 33.957 -0.189 1
1 524 . 3 1 1 A 41 41 LYS C C 38 177.911 178.147 -0.236 1
1 525 . 3 1 1 A 42 42 VAL N N 39 122.215 118.370 3.845 1
1 526 . 3 1 1 A 42 42 VAL H H 39 9.039 8.686 0.353 1
1 527 . 3 1 1 A 42 42 VAL CA C 39 67.408 65.315 2.093 1
1 528 . 3 1 1 A 42 42 VAL HA H 39 3.699 3.704 -0.005 1
1 529 . 3 1 1 A 42 42 VAL CB C 39 31.056 31.674 -0.618 1
1 539 . 3 1 1 A 42 42 VAL C C 39 176.560 177.500 -0.940 1
1 540 . 3 1 1 A 43 43 SER N N 40 114.377 117.138 -2.761 1
1 541 . 3 1 1 A 43 43 SER H H 40 8.686 8.032 0.654 1
1 542 . 3 1 1 A 43 43 SER CA C 40 61.144 61.601 -0.457 1
1 543 . 3 1 1 A 43 43 SER HA H 40 3.933 4.044 -0.111 1
1 544 . 3 1 1 A 43 43 SER CB C 40 60.933 62.730 -1.797 1
1 547 . 3 1 1 A 43 43 SER C C 40 175.910 176.754 -0.844 1
1 548 . 3 1 1 A 44 44 GLU N N 41 122.833 121.400 1.433 1
1 549 . 3 1 1 A 44 44 GLU H H 41 6.661 7.734 -1.073 1
1 550 . 3 1 1 A 44 44 GLU CA C 41 57.315 59.346 -2.031 1
1 551 . 3 1 1 A 44 44 GLU HA H 41 4.363 4.024 0.339 1
1 552 . 3 1 1 A 44 44 GLU CB C 41 30.399 29.538 0.861 1
1 558 . 3 1 1 A 44 44 GLU C C 41 178.185 179.418 -1.233 1
1 559 . 3 1 1 A 45 45 LEU N N 42 119.110 120.343 -1.233 1
1 560 . 3 1 1 A 45 45 LEU H H 42 8.393 8.372 0.021 1
1 561 . 3 1 1 A 45 45 LEU CA C 42 57.359 57.841 -0.482 1
1 562 . 3 1 1 A 45 45 LEU HA H 42 3.918 3.862 0.056 1
1 563 . 3 1 1 A 45 45 LEU CB C 42 42.476 41.356 1.120 1
1 576 . 3 1 1 A 45 45 LEU C C 42 179.735 179.039 0.696 1
1 577 . 3 1 1 A 46 46 LYS N N 43 118.025 119.842 -1.817 1
1 578 . 3 1 1 A 46 46 LYS H H 43 8.596 8.106 0.490 1
1 579 . 3 1 1 A 46 46 LYS CA C 43 60.844 59.820 1.024 1
1 580 . 3 1 1 A 46 46 LYS HA H 43 3.816 3.921 -0.105 1
1 581 . 3 1 1 A 46 46 LYS CB C 43 31.918 32.159 -0.241 1
1 593 . 3 1 1 A 46 46 LYS C C 43 177.672 178.397 -0.725 1
1 594 . 3 1 1 A 47 47 ASP N N 44 119.267 119.696 -0.429 1
1 595 . 3 1 1 A 47 47 ASP H H 44 7.448 8.107 -0.659 1
1 596 . 3 1 1 A 47 47 ASP CA C 44 57.422 57.367 0.055 1
1 597 . 3 1 1 A 47 47 ASP HA H 44 4.555 4.354 0.201 1
1 598 . 3 1 1 A 47 47 ASP CB C 44 39.264 40.771 -1.507 1
1 601 . 3 1 1 A 47 47 ASP C C 44 179.284 178.867 0.417 1
1 602 . 3 1 1 A 48 48 ILE N N 45 120.817 119.296 1.521 1
1 603 . 3 1 1 A 48 48 ILE H H 45 7.871 8.167 -0.296 1
1 604 . 3 1 1 A 48 48 ILE CA C 45 64.604 65.307 -0.703 1
1 605 . 3 1 1 A 48 48 ILE HA H 45 3.653 3.480 0.173 1
1 606 . 3 1 1 A 48 48 ILE CB C 45 36.293 38.104 -1.811 1
1 619 . 3 1 1 A 48 48 ILE C C 45 177.180 177.500 -0.320 1
1 620 . 3 1 1 A 49 49 CYS N N 46 117.775 119.820 -2.045 1
1 621 . 3 1 1 A 49 49 CYS H H 46 8.543 8.211 0.332 1
1 622 . 3 1 1 A 49 49 CYS CA C 46 64.971 63.493 1.478 1
1 623 . 3 1 1 A 49 49 CYS HA H 46 3.852 3.908 -0.056 1
1 624 . 3 1 1 A 49 49 CYS CB C 46 25.872 26.709 -0.837 1
1 627 . 3 1 1 A 49 49 CYS C C 46 176.288 177.121 -0.833 1
1 628 . 3 1 1 A 50 50 ARG N N 47 118.702 122.351 -3.649 1
1 629 . 3 1 1 A 50 50 ARG H H 47 8.626 7.940 0.686 1
1 630 . 3 1 1 A 50 50 ARG CA C 47 58.983 59.072 -0.089 1
1 631 . 3 1 1 A 50 50 ARG HA H 47 4.058 4.103 -0.045 1
1 632 . 3 1 1 A 50 50 ARG CB C 47 29.512 30.180 -0.668 1
1 648 . 3 1 1 A 50 50 ARG C C 47 179.270 177.944 1.326 1
1 649 . 3 1 1 A 51 51 SER N N 48 114.502 114.189 0.313 1
1 650 . 3 1 1 A 51 51 SER H H 48 7.514 8.148 -0.634 1
1 651 . 3 1 1 A 51 51 SER CA C 48 61.745 61.780 -0.035 1
1 652 . 3 1 1 A 51 51 SER HA H 48 4.308 4.177 0.131 1
1 653 . 3 1 1 A 51 51 SER CB C 48 62.780 63.290 -0.510 1
1 656 . 3 1 1 A 51 51 SER C C 48 176.764 177.391 -0.627 1
1 657 . 3 1 1 A 52 52 VAL N N 49 113.832 120.658 -6.826 1
1 658 . 3 1 1 A 52 52 VAL H H 49 7.511 8.143 -0.632 1
1 659 . 3 1 1 A 52 52 VAL CA C 49 60.751 63.424 -2.673 1
1 660 . 3 1 1 A 52 52 VAL HA H 49 3.760 3.702 0.058 1
1 661 . 3 1 1 A 52 52 VAL CB C 49 30.719 31.407 -0.688 1
1 671 . 3 1 1 A 52 52 VAL C C 49 173.462 174.858 -1.396 1
1 672 . 3 1 1 A 53 53 SER N N 50 112.698 115.019 -2.321 1
1 673 . 3 1 1 A 53 53 SER H H 50 7.653 7.971 -0.318 1
1 674 . 3 1 1 A 53 53 SER CA C 50 59.025 59.711 -0.686 1
1 675 . 3 1 1 A 53 53 SER HA H 50 3.911 4.137 -0.226 1
1 676 . 3 1 1 A 53 53 SER CB C 50 60.895 61.383 -0.488 1
1 679 . 3 1 1 A 53 53 SER C C 50 174.065 173.464 0.601 1
1 680 . 3 1 1 A 54 54 PHE N N 51 120.132 120.258 -0.126 1
1 681 . 3 1 1 A 54 54 PHE H H 51 8.332 7.849 0.483 1
1 682 . 3 1 1 A 54 54 PHE CA C 51 51.743 56.750 -5.007 1
1 683 . 3 1 1 A 54 54 PHE HA H 51 5.171 4.491 0.680 1
1 684 . 3 1 1 A 54 54 PHE CB C 51 37.762 38.761 -0.999 1
1 696 . 3 1 1 A 55 55 PRO CA C 52 62.176 62.593 -0.417 1
1 697 . 3 1 1 A 55 55 PRO HA H 52 4.417 4.654 -0.237 1
1 698 . 3 1 1 A 55 55 PRO CB C 52 31.347 31.612 -0.265 1
1 706 . 3 1 1 A 55 55 PRO C C 52 176.296 176.972 -0.676 1
1 707 . 3 1 1 A 56 56 VAL N N 53 109.933 125.207 -15.274 1
1 708 . 3 1 1 A 56 56 VAL H H 53 7.986 8.900 -0.914 1
1 709 . 3 1 1 A 56 56 VAL CA C 53 59.863 62.234 -2.371 1
1 710 . 3 1 1 A 56 56 VAL HA H 53 4.404 4.412 -0.008 1
1 711 . 3 1 1 A 56 56 VAL CB C 53 31.483 31.887 -0.404 1
1 721 . 3 1 1 A 56 56 VAL C C 53 175.074 176.575 -1.501 1
1 722 . 3 1 1 A 57 57 SER N N 54 114.614 117.744 -3.130 1
1 723 . 3 1 1 A 57 57 SER H H 54 7.304 7.954 -0.650 1
1 724 . 3 1 1 A 57 57 SER CA C 54 57.295 60.451 -3.156 1
1 725 . 3 1 1 A 57 57 SER HA H 54 4.363 4.426 -0.063 1
1 726 . 3 1 1 A 57 57 SER CB C 54 63.351 63.559 -0.208 1
1 729 . 3 1 1 A 57 57 SER C C 54 174.225 175.259 -1.034 1
1 730 . 3 1 1 A 58 58 GLY N N 55 110.300 109.060 1.240 1
1 731 . 3 1 1 A 58 58 GLY H H 55 8.545 7.782 0.763 1
1 732 . 3 1 1 A 58 58 GLY CA C 55 43.806 44.315 -0.509 1
1 733 . 3 1 1 A 58 58 GLY HA2 H 55 4.009 4.017 -0.008 1
1 734 . 3 1 1 A 58 58 GLY HA3 H 55 3.715 4.018 -0.303 1
1 735 . 3 1 1 A 58 58 GLY C C 55 172.483 173.204 -0.721 1
1 736 . 3 1 1 A 59 59 ARG N N 56 116.392 120.167 -3.775 1
1 737 . 3 1 1 A 59 59 ARG H H 56 7.913 8.652 -0.739 1
1 738 . 3 1 1 A 59 59 ARG CA C 56 54.769 53.951 0.818 1
1 739 . 3 1 1 A 59 59 ARG HA H 56 4.371 4.923 -0.552 1
1 740 . 3 1 1 A 59 59 ARG CB C 56 30.447 32.914 -2.467 1
1 752 . 3 1 1 A 59 59 ARG C C 56 176.019 176.296 -0.277 1
1 753 . 3 1 1 A 60 60 LYS N N 57 122.009 118.012 3.997 1
1 754 . 3 1 1 A 60 60 LYS H H 57 8.811 8.936 -0.125 1
1 755 . 3 1 1 A 60 60 LYS CA C 57 61.236 59.087 2.149 1
1 756 . 3 1 1 A 60 60 LYS HA H 57 3.606 4.015 -0.409 1
1 757 . 3 1 1 A 60 60 LYS CB C 57 32.419 31.928 0.491 1
1 769 . 3 1 1 A 60 60 LYS C C 57 176.824 178.382 -1.558 1
1 770 . 3 1 1 A 61 61 ALA N N 58 116.880 121.790 -4.910 1
1 771 . 3 1 1 A 61 61 ALA H H 58 8.794 7.805 0.989 1
1 772 . 3 1 1 A 61 61 ALA CA C 58 54.617 55.136 -0.519 1
1 773 . 3 1 1 A 61 61 ALA HA H 58 4.129 4.328 -0.199 1
1 777 . 3 1 1 A 61 61 ALA CB C 58 18.103 18.422 -0.319 1
1 778 . 3 1 1 A 61 61 ALA C C 58 179.574 179.953 -0.379 1
1 779 . 3 1 1 A 62 62 VAL N N 59 117.408 118.505 -1.097 1
1 780 . 3 1 1 A 62 62 VAL H H 59 7.047 7.696 -0.649 1
1 781 . 3 1 1 A 62 62 VAL CA C 59 64.864 67.052 -2.188 1
1 782 . 3 1 1 A 62 62 VAL HA H 59 3.701 3.498 0.203 1
1 783 . 3 1 1 A 62 62 VAL CB C 59 31.301 31.420 -0.119 1
1 793 . 3 1 1 A 62 62 VAL C C 59 178.103 178.185 -0.082 1
1 794 . 3 1 1 A 63 63 LEU N N 60 119.573 119.600 -0.027 1
1 795 . 3 1 1 A 63 63 LEU H H 60 7.585 8.238 -0.653 1
1 796 . 3 1 1 A 63 63 LEU CA C 60 57.571 58.242 -0.671 1
1 797 . 3 1 1 A 63 63 LEU HA H 60 3.923 3.817 0.106 1
1 798 . 3 1 1 A 63 63 LEU CB C 60 41.711 41.615 0.096 1
1 810 . 3 1 1 A 63 63 LEU C C 60 178.692 179.044 -0.352 1
1 811 . 3 1 1 A 64 64 GLN N N 61 114.206 117.308 -3.102 1
1 812 . 3 1 1 A 64 64 GLN H H 61 8.373 8.474 -0.101 1
1 813 . 3 1 1 A 64 64 GLN CA C 61 58.039 58.428 -0.389 1
1 814 . 3 1 1 A 64 64 GLN HA H 61 4.090 4.013 0.077 1
1 815 . 3 1 1 A 64 64 GLN CB C 61 28.670 28.541 0.129 1
1 821 . 3 1 1 A 64 64 GLN C C 61 178.207 177.315 0.892 1
1 822 . 3 1 1 A 65 65 ASP N N 62 118.671 120.434 -1.763 1
1 823 . 3 1 1 A 65 65 ASP H H 62 7.973 7.919 0.054 1
1 824 . 3 1 1 A 65 65 ASP CA C 62 56.961 57.416 -0.455 1
1 825 . 3 1 1 A 65 65 ASP HA H 62 4.353 4.459 -0.106 1
1 826 . 3 1 1 A 65 65 ASP CB C 62 39.856 40.474 -0.618 1
1 829 . 3 1 1 A 65 65 ASP C C 62 178.113 179.034 -0.921 1
1 830 . 3 1 1 A 66 66 LEU N N 63 119.708 120.811 -1.103 1
1 831 . 3 1 1 A 66 66 LEU H H 63 7.970 8.111 -0.141 1
1 832 . 3 1 1 A 66 66 LEU CA C 63 57.549 58.011 -0.462 1
1 833 . 3 1 1 A 66 66 LEU HA H 63 3.838 4.065 -0.227 1
1 834 . 3 1 1 A 66 66 LEU CB C 63 41.235 41.949 -0.714 1
1 847 . 3 1 1 A 66 66 LEU C C 63 180.041 179.062 0.979 1
1 848 . 3 1 1 A 67 67 ILE N N 64 118.309 119.316 -1.007 1
1 849 . 3 1 1 A 67 67 ILE H H 64 7.555 8.023 -0.468 1
1 850 . 3 1 1 A 67 67 ILE CA C 64 63.895 64.993 -1.098 1
1 851 . 3 1 1 A 67 67 ILE HA H 64 3.794 3.351 0.443 1
1 852 . 3 1 1 A 67 67 ILE CB C 64 37.181 37.447 -0.266 1
1 865 . 3 1 1 A 67 67 ILE C C 64 176.949 178.128 -1.179 1
1 866 . 3 1 1 A 68 68 ARG N N 65 122.359 120.737 1.622 1
1 867 . 3 1 1 A 68 68 ARG H H 65 9.489 8.304 1.185 1
1 868 . 3 1 1 A 68 68 ARG CA C 65 60.488 60.038 0.450 1
1 869 . 3 1 1 A 68 68 ARG HA H 65 3.692 3.823 -0.131 1
1 870 . 3 1 1 A 68 68 ARG CB C 65 29.897 30.659 -0.762 1
1 880 . 3 1 1 A 68 68 ARG C C 65 177.728 178.783 -1.055 1
1 881 . 3 1 1 A 69 69 ASN N N 66 116.248 116.035 0.213 1
1 882 . 3 1 1 A 69 69 ASN H H 66 8.546 8.554 -0.008 1
1 883 . 3 1 1 A 69 69 ASN CA C 66 55.945 56.450 -0.505 1
1 884 . 3 1 1 A 69 69 ASN HA H 66 4.391 4.529 -0.138 1
1 885 . 3 1 1 A 69 69 ASN CB C 66 37.828 37.938 -0.110 1
1 891 . 3 1 1 A 69 69 ASN C C 66 176.520 178.698 -2.178 1
1 892 . 3 1 1 A 70 70 PHE N N 67 121.134 119.099 2.035 1
1 893 . 3 1 1 A 70 70 PHE H H 67 7.693 8.264 -0.571 1
1 894 . 3 1 1 A 70 70 PHE CA C 67 60.170 60.924 -0.754 1
1 895 . 3 1 1 A 70 70 PHE HA H 67 4.535 4.325 0.210 1
1 896 . 3 1 1 A 70 70 PHE CB C 67 39.838 38.995 0.843 1
1 902 . 3 1 1 A 70 70 PHE C C 67 177.756 178.444 -0.688 1
1 903 . 3 1 1 A 71 71 LEU N N 68 117.959 119.674 -1.715 1
1 904 . 3 1 1 A 71 71 LEU H H 68 8.336 8.608 -0.272 1
1 905 . 3 1 1 A 71 71 LEU CA C 68 57.468 57.878 -0.410 1
1 906 . 3 1 1 A 71 71 LEU HA H 68 3.828 3.996 -0.168 1
1 907 . 3 1 1 A 71 71 LEU CB C 68 42.156 41.347 0.809 1
1 919 . 3 1 1 A 71 71 LEU C C 68 178.037 179.256 -1.219 1
1 920 . 3 1 1 A 72 72 GLN N N 69 117.479 118.123 -0.644 1
1 921 . 3 1 1 A 72 72 GLN H H 69 8.802 8.280 0.522 1
1 922 . 3 1 1 A 72 72 GLN CA C 69 58.632 59.210 -0.578 1
1 923 . 3 1 1 A 72 72 GLN HA H 69 3.906 4.074 -0.168 1
1 924 . 3 1 1 A 72 72 GLN CB C 69 27.010 28.153 -1.143 1
1 933 . 3 1 1 A 72 72 GLN C C 69 179.337 177.920 1.417 1
1 934 . 3 1 1 A 73 73 ASN N N 70 117.551 117.094 0.457 1
1 935 . 3 1 1 A 73 73 ASN H H 70 8.124 8.295 -0.171 1
1 936 . 3 1 1 A 73 73 ASN CA C 70 54.051 55.191 -1.140 1
1 937 . 3 1 1 A 73 73 ASN HA H 70 4.602 4.501 0.101 1
1 938 . 3 1 1 A 73 73 ASN CB C 70 37.810 38.320 -0.510 1
1 944 . 3 1 1 A 73 73 ASN C C 70 175.490 177.798 -2.308 1
1 945 . 3 1 1 A 74 74 ALA N N 71 120.962 120.701 0.261 1
1 946 . 3 1 1 A 74 74 ALA H H 71 7.787 7.799 -0.012 1
1 947 . 3 1 1 A 74 74 ALA CA C 71 53.143 54.227 -1.084 1
1 948 . 3 1 1 A 74 74 ALA HA H 71 4.193 4.082 0.111 1
1 952 . 3 1 1 A 74 74 ALA CB C 71 19.064 18.491 0.573 1
1 953 . 3 1 1 A 74 74 ALA C C 71 176.255 178.463 -2.208 1
1 954 . 3 1 1 A 75 75 LEU N N 72 112.822 114.891 -2.069 1
1 955 . 3 1 1 A 75 75 LEU H H 72 7.381 7.714 -0.333 1
1 956 . 3 1 1 A 75 75 LEU CA C 72 52.987 54.278 -1.291 1
1 957 . 3 1 1 A 75 75 LEU HA H 72 4.305 4.502 -0.197 1
1 958 . 3 1 1 A 75 75 LEU CB C 72 41.490 42.072 -0.582 1
1 971 . 3 1 1 A 75 75 LEU C C 72 175.867 175.979 -0.112 1
1 972 . 3 1 1 A 76 76 VAL N N 73 120.671 121.049 -0.378 1
1 973 . 3 1 1 A 76 76 VAL H H 73 6.797 7.156 -0.359 1
1 974 . 3 1 1 A 76 76 VAL CA C 73 62.994 61.661 1.333 1
1 975 . 3 1 1 A 76 76 VAL HA H 73 3.707 4.216 -0.509 1
1 976 . 3 1 1 A 76 76 VAL CB C 73 32.014 32.785 -0.771 1
1 986 . 3 1 1 A 76 76 VAL C C 73 176.144 175.756 0.388 1
1 987 . 3 1 1 A 77 77 VAL N N 74 128.303 126.160 2.143 1
1 988 . 3 1 1 A 77 77 VAL H H 74 8.407 8.628 -0.221 1
1 989 . 3 1 1 A 77 77 VAL CA C 74 64.673 65.267 -0.594 1
1 990 . 3 1 1 A 77 77 VAL HA H 74 3.651 3.541 0.110 1
1 991 . 3 1 1 A 77 77 VAL CB C 74 30.789 31.558 -0.769 1
1 1001 . 3 1 1 A 77 77 VAL C C 74 176.911 177.522 -0.611 1
1 1002 . 3 1 1 A 78 78 GLY N N 75 116.087 115.234 0.853 1
1 1003 . 3 1 1 A 78 78 GLY H H 75 8.827 8.813 0.014 1
1 1004 . 3 1 1 A 78 78 GLY CA C 75 45.004 46.312 -1.308 1
1 1005 . 3 1 1 A 78 78 GLY HA2 H 75 4.236 3.859 0.377 1
1 1006 . 3 1 1 A 78 78 GLY HA3 H 75 3.738 3.861 -0.123 1
1 1007 . 3 1 1 A 78 78 GLY C C 75 173.779 174.095 -0.316 1
1 1008 . 3 1 1 A 79 79 LYS N N 76 121.612 120.594 1.018 1
1 1009 . 3 1 1 A 79 79 LYS H H 76 8.140 7.608 0.532 1
1 1010 . 3 1 1 A 79 79 LYS CA C 76 54.078 55.459 -1.381 1
1 1011 . 3 1 1 A 79 79 LYS HA H 76 4.588 4.493 0.095 1
1 1012 . 3 1 1 A 79 79 LYS CB C 76 32.708 33.442 -0.734 1
1 1024 . 3 1 1 A 79 79 LYS C C 76 175.177 174.882 0.295 1
1 1025 . 3 1 1 A 80 80 SER N N 77 117.166 114.456 2.710 1
1 1026 . 3 1 1 A 80 80 SER H H 77 8.241 7.666 0.575 1
1 1027 . 3 1 1 A 80 80 SER CA C 77 59.173 58.368 0.805 1
1 1028 . 3 1 1 A 80 80 SER HA H 77 4.356 4.311 0.045 1
1 1029 . 3 1 1 A 80 80 SER CB C 77 63.288 63.993 -0.705 1
1 1032 . 3 1 1 A 80 80 SER C C 77 174.793 173.838 0.955 1
1 1033 . 3 1 1 A 81 81 ASP N N 78 118.775 120.304 -1.529 1
1 1034 . 3 1 1 A 81 81 ASP H H 78 8.506 8.763 -0.257 1
1 1035 . 3 1 1 A 81 81 ASP CA C 78 50.069 51.365 -1.296 1
1 1036 . 3 1 1 A 81 81 ASP HA H 78 5.423 5.045 0.378 1
1 1037 . 3 1 1 A 81 81 ASP CB C 78 41.498 41.424 0.074 1
1 1041 . 3 1 1 A 82 82 PRO CA C 79 63.656 64.374 -0.718 1
1 1042 . 3 1 1 A 82 82 PRO HA H 79 4.271 4.293 -0.022 1
1 1043 . 3 1 1 A 82 82 PRO CB C 79 31.303 31.766 -0.463 1
1 1051 . 3 1 1 A 82 82 PRO C C 79 178.645 178.223 0.422 1
1 1052 . 3 1 1 A 83 83 TYR N N 80 117.360 117.381 -0.021 1
1 1053 . 3 1 1 A 83 83 TYR H H 80 7.561 7.309 0.252 1
1 1054 . 3 1 1 A 83 83 TYR CA C 80 59.635 61.648 -2.013 1
1 1055 . 3 1 1 A 83 83 TYR HA H 80 4.163 4.240 -0.077 1
1 1056 . 3 1 1 A 83 83 TYR CB C 80 35.602 38.140 -2.538 1
1 1065 . 3 1 1 A 83 83 TYR C C 80 176.904 178.470 -1.566 1
1 1066 . 3 1 1 A 84 84 ARG N N 81 120.833 119.370 1.463 1
1 1067 . 3 1 1 A 84 84 ARG H H 81 7.898 8.306 -0.408 1
1 1068 . 3 1 1 A 84 84 ARG CA C 81 58.332 59.321 -0.989 1
1 1069 . 3 1 1 A 84 84 ARG HA H 81 4.615 4.234 0.381 1
1 1070 . 3 1 1 A 84 84 ARG CB C 81 28.242 29.883 -1.641 1
1 1071 . 3 1 1 A 84 84 ARG C C 81 176.940 179.296 -2.356 1
1 1072 . 3 1 1 A 85 85 VAL N N 82 117.345 120.300 -2.955 1
1 1073 . 3 1 1 A 85 85 VAL H H 82 6.971 8.145 -1.174 1
1 1074 . 3 1 1 A 85 85 VAL CA C 82 65.663 66.698 -1.035 1
1 1075 . 3 1 1 A 85 85 VAL HA H 82 3.417 3.567 -0.150 1
1 1076 . 3 1 1 A 85 85 VAL CB C 82 31.165 31.648 -0.483 1
1 1085 . 3 1 1 A 85 85 VAL C C 82 176.601 177.758 -1.157 1
1 1086 . 3 1 1 A 86 86 GLN N N 83 117.137 120.303 -3.166 1
1 1087 . 3 1 1 A 86 86 GLN H H 83 7.536 8.488 -0.952 1
1 1088 . 3 1 1 A 86 86 GLN CA C 83 58.230 58.453 -0.223 1
1 1089 . 3 1 1 A 86 86 GLN HA H 83 3.953 4.081 -0.128 1
1 1090 . 3 1 1 A 86 86 GLN CB C 83 28.240 28.574 -0.334 1
1 1099 . 3 1 1 A 86 86 GLN C C 83 178.602 178.077 0.525 1
1 1100 . 3 1 1 A 87 87 ALA N N 84 121.452 122.286 -0.834 1
1 1101 . 3 1 1 A 87 87 ALA H H 84 8.843 7.914 0.929 1
1 1102 . 3 1 1 A 87 87 ALA CA C 84 54.905 55.229 -0.324 1
1 1103 . 3 1 1 A 87 87 ALA HA H 84 4.048 4.213 -0.165 1
1 1107 . 3 1 1 A 87 87 ALA CB C 84 18.088 18.676 -0.588 1
1 1108 . 3 1 1 A 87 87 ALA C C 84 178.498 179.881 -1.383 1
1 1109 . 3 1 1 A 88 88 VAL N N 85 117.570 118.398 -0.828 1
1 1110 . 3 1 1 A 88 88 VAL H H 85 8.515 8.388 0.127 1
1 1111 . 3 1 1 A 88 88 VAL CA C 85 67.315 66.556 0.759 1
1 1112 . 3 1 1 A 88 88 VAL HA H 85 3.764 3.439 0.325 1
1 1113 . 3 1 1 A 88 88 VAL CB C 85 30.610 31.483 -0.873 1
1 1123 . 3 1 1 A 88 88 VAL C C 85 177.138 177.799 -0.661 1
1 1124 . 3 1 1 A 89 89 LYS N N 86 120.005 120.609 -0.604 1
1 1125 . 3 1 1 A 89 89 LYS H H 86 8.612 8.530 0.082 1
1 1126 . 3 1 1 A 89 89 LYS CA C 86 60.851 59.533 1.318 1
1 1127 . 3 1 1 A 89 89 LYS HA H 86 3.827 4.004 -0.177 1
1 1128 . 3 1 1 A 89 89 LYS CB C 86 31.974 32.139 -0.165 1
1 1140 . 3 1 1 A 89 89 LYS C C 86 178.096 178.664 -0.568 1
1 1141 . 3 1 1 A 90 90 PHE N N 87 119.839 120.564 -0.725 1
1 1142 . 3 1 1 A 90 90 PHE H H 87 8.184 8.168 0.016 1
1 1143 . 3 1 1 A 90 90 PHE CA C 87 60.604 61.286 -0.682 1
1 1144 . 3 1 1 A 90 90 PHE HA H 87 4.302 4.218 0.084 1
1 1145 . 3 1 1 A 90 90 PHE CB C 87 38.349 39.274 -0.925 1
1 1154 . 3 1 1 A 90 90 PHE C C 87 177.748 177.591 0.157 1
1 1155 . 3 1 1 A 91 91 LEU N N 88 118.977 119.431 -0.454 1
1 1156 . 3 1 1 A 91 91 LEU H H 88 8.604 8.534 0.070 1
1 1157 . 3 1 1 A 91 91 LEU CA C 88 58.058 58.394 -0.336 1
1 1158 . 3 1 1 A 91 91 LEU HA H 88 3.975 3.774 0.201 1
1 1159 . 3 1 1 A 91 91 LEU CB C 88 41.114 41.959 -0.845 1
1 1169 . 3 1 1 A 91 91 LEU C C 88 178.106 179.153 -1.047 1
1 1170 . 3 1 1 A 92 92 ILE N N 89 118.378 118.760 -0.382 1
1 1171 . 3 1 1 A 92 92 ILE H H 89 8.420 8.482 -0.062 1
1 1172 . 3 1 1 A 92 92 ILE CA C 89 65.761 65.719 0.042 1
1 1173 . 3 1 1 A 92 92 ILE HA H 89 3.542 3.464 0.078 1
1 1174 . 3 1 1 A 92 92 ILE CB C 89 37.372 37.876 -0.504 1
1 1184 . 3 1 1 A 92 92 ILE C C 89 176.952 178.339 -1.387 1
1 1185 . 3 1 1 A 93 93 GLU N N 90 120.262 120.640 -0.378 1
1 1186 . 3 1 1 A 93 93 GLU H H 90 8.133 8.167 -0.034 1
1 1187 . 3 1 1 A 93 93 GLU CA C 90 58.766 59.936 -1.170 1
1 1188 . 3 1 1 A 93 93 GLU HA H 90 4.038 3.841 0.197 1
1 1189 . 3 1 1 A 93 93 GLU CB C 90 28.466 29.128 -0.662 1
1 1195 . 3 1 1 A 93 93 GLU C C 90 178.689 178.074 0.615 1
1 1196 . 3 1 1 A 94 94 ARG N N 91 117.630 118.721 -1.091 1
1 1197 . 3 1 1 A 94 94 ARG H H 91 7.952 8.103 -0.151 1
1 1198 . 3 1 1 A 94 94 ARG CA C 91 58.343 58.931 -0.588 1
1 1199 . 3 1 1 A 94 94 ARG HA H 91 3.941 3.840 0.101 1
1 1200 . 3 1 1 A 94 94 ARG CB C 91 29.048 29.745 -0.697 1
1 1215 . 3 1 1 A 94 94 ARG C C 91 178.875 178.999 -0.124 1
1 1216 . 3 1 1 A 95 95 ILE N N 92 120.056 120.452 -0.396 1
1 1217 . 3 1 1 A 95 95 ILE H H 92 8.225 7.997 0.228 1
1 1218 . 3 1 1 A 95 95 ILE CA C 92 63.296 64.909 -1.613 1
1 1219 . 3 1 1 A 95 95 ILE HA H 92 3.972 3.751 0.221 1
1 1220 . 3 1 1 A 95 95 ILE CB C 92 36.921 36.872 0.049 1
1 1233 . 3 1 1 A 95 95 ILE C C 92 180.242 178.534 1.708 1
1 1234 . 3 1 1 A 96 96 ARG N N 93 121.023 120.915 0.108 1
1 1235 . 3 1 1 A 96 96 ARG H H 93 8.259 8.015 0.244 1
1 1236 . 3 1 1 A 96 96 ARG CA C 93 58.401 58.854 -0.453 1
1 1237 . 3 1 1 A 96 96 ARG HA H 93 4.068 4.163 -0.095 1
1 1238 . 3 1 1 A 96 96 ARG CB C 93 29.474 30.256 -0.782 1
1 1254 . 3 1 1 A 96 96 ARG C C 93 177.500 177.141 0.359 1
1 1255 . 3 1 1 A 97 97 LYS N N 94 116.750 117.168 -0.418 1
1 1256 . 3 1 1 A 97 97 LYS H H 94 7.527 7.490 0.037 1
1 1257 . 3 1 1 A 97 97 LYS CA C 94 55.282 55.581 -0.299 1
1 1258 . 3 1 1 A 97 97 LYS HA H 94 4.274 4.359 -0.085 1
1 1259 . 3 1 1 A 97 97 LYS CB C 94 32.112 33.904 -1.792 1
1 1271 . 3 1 1 A 97 97 LYS C C 94 174.901 175.784 -0.883 1
1 1272 . 3 1 1 A 98 98 ASN N N 95 116.979 116.974 0.005 1
1 1273 . 3 1 1 A 98 98 ASN H H 95 8.150 8.018 0.132 1
1 1274 . 3 1 1 A 98 98 ASN CA C 95 53.822 53.892 -0.070 1
1 1275 . 3 1 1 A 98 98 ASN HA H 95 4.370 4.299 0.071 1
1 1276 . 3 1 1 A 98 98 ASN CB C 95 36.674 37.065 -0.391 1
1 1282 . 3 1 1 A 98 98 ASN C C 95 173.779 173.988 -0.209 1
1 1283 . 3 1 1 A 99 99 GLU N N 96 118.529 119.475 -0.946 1
1 1284 . 3 1 1 A 99 99 GLU H H 96 8.236 7.890 0.346 1
1 1285 . 3 1 1 A 99 99 GLU CA C 96 52.891 53.222 -0.331 1
1 1286 . 3 1 1 A 99 99 GLU HA H 96 4.673 4.774 -0.101 1
1 1287 . 3 1 1 A 99 99 GLU CB C 96 30.358 32.187 -1.829 1
1 1292 . 3 1 1 A 100 100 PRO CA C 97 62.037 62.715 -0.678 1
1 1293 . 3 1 1 A 100 100 PRO HA H 97 4.272 4.684 -0.412 1
1 1294 . 3 1 1 A 100 100 PRO CB C 97 31.609 31.615 -0.006 1
1 1302 . 3 1 1 A 100 100 PRO C C 97 176.184 176.951 -0.767 1
1 1303 . 3 1 1 A 101 101 LEU N N 98 122.794 124.289 -1.495 1
1 1304 . 3 1 1 A 101 101 LEU H H 98 8.832 8.314 0.518 1
1 1305 . 3 1 1 A 101 101 LEU CA C 98 52.524 53.712 -1.188 1
1 1306 . 3 1 1 A 101 101 LEU HA H 98 4.654 4.526 0.128 1
1 1307 . 3 1 1 A 101 101 LEU CB C 98 40.422 42.109 -1.687 1
1 1321 . 3 1 1 A 102 102 PRO CA C 99 61.075 62.251 -1.176 1
1 1322 . 3 1 1 A 102 102 PRO HA H 99 4.629 4.653 -0.024 1
1 1323 . 3 1 1 A 102 102 PRO CB C 99 31.778 33.184 -1.406 1
1 1328 . 3 1 1 A 102 102 PRO C C 99 174.604 176.276 -1.672 1
1 1329 . 3 1 1 A 103 103 VAL N N 100 120.834 121.001 -0.167 1
1 1330 . 3 1 1 A 103 103 VAL H H 100 8.661 8.591 0.070 1
1 1331 . 3 1 1 A 103 103 VAL CA C 100 62.977 62.641 0.336 1
1 1332 . 3 1 1 A 103 103 VAL HA H 100 3.860 4.204 -0.344 1
1 1333 . 3 1 1 A 103 103 VAL CB C 100 31.731 31.901 -0.170 1
1 1342 . 3 1 1 A 103 103 VAL C C 100 177.396 176.529 0.867 1
1 1343 . 3 1 1 A 104 104 TYR N N 101 129.973 126.693 3.280 1
1 1344 . 3 1 1 A 104 104 TYR H H 101 8.487 9.253 -0.766 1
1 1345 . 3 1 1 A 104 104 TYR CA C 101 62.855 61.935 0.920 1
1 1346 . 3 1 1 A 104 104 TYR HA H 101 3.802 4.143 -0.341 1
1 1347 . 3 1 1 A 104 104 TYR CB C 101 38.429 39.028 -0.599 1
1 1356 . 3 1 1 A 104 104 TYR C C 101 175.877 177.654 -1.777 1
1 1357 . 3 1 1 A 105 105 LYS N N 102 117.165 119.100 -1.935 1
1 1358 . 3 1 1 A 105 105 LYS H H 102 8.848 8.128 0.720 1
1 1359 . 3 1 1 A 105 105 LYS CA C 102 59.343 59.403 -0.060 1
1 1360 . 3 1 1 A 105 105 LYS HA H 102 3.810 3.795 0.015 1
1 1361 . 3 1 1 A 105 105 LYS CB C 102 31.739 32.186 -0.447 1
1 1373 . 3 1 1 A 105 105 LYS C C 102 177.370 178.064 -0.694 1
1 1374 . 3 1 1 A 106 106 ASP N N 103 117.011 120.217 -3.206 1
1 1375 . 3 1 1 A 106 106 ASP H H 103 6.781 8.214 -1.433 1
1 1376 . 3 1 1 A 106 106 ASP CA C 103 56.155 57.700 -1.545 1
1 1377 . 3 1 1 A 106 106 ASP HA H 103 4.454 4.328 0.126 1
1 1378 . 3 1 1 A 106 106 ASP CB C 103 39.467 41.720 -2.253 1
1 1381 . 3 1 1 A 106 106 ASP C C 103 178.180 178.210 -0.030 1
1 1382 . 3 1 1 A 107 107 LEU N N 104 124.145 119.918 4.227 1
1 1383 . 3 1 1 A 107 107 LEU H H 104 7.687 8.428 -0.741 1
1 1384 . 3 1 1 A 107 107 LEU CA C 104 56.938 58.257 -1.319 1
1 1385 . 3 1 1 A 107 107 LEU HA H 104 4.000 4.029 -0.029 1
1 1386 . 3 1 1 A 107 107 LEU CB C 104 41.707 41.904 -0.197 1
1 1399 . 3 1 1 A 107 107 LEU C C 104 176.403 178.836 -2.433 1
1 1400 . 3 1 1 A 108 108 TRP N N 105 120.039 120.729 -0.690 1
1 1401 . 3 1 1 A 108 108 TRP H H 105 9.072 8.405 0.667 1
1 1402 . 3 1 1 A 108 108 TRP CA C 105 62.392 60.853 1.539 1
1 1403 . 3 1 1 A 108 108 TRP HA H 105 3.547 4.073 -0.526 1
1 1404 . 3 1 1 A 108 108 TRP CB C 105 28.316 29.440 -1.124 1
1 1415 . 3 1 1 A 108 108 TRP C C 105 176.983 178.399 -1.416 1
1 1416 . 3 1 1 A 109 109 ASN N N 106 113.557 117.444 -3.887 1
1 1417 . 3 1 1 A 109 109 ASN H H 106 8.058 8.400 -0.342 1
1 1418 . 3 1 1 A 109 109 ASN CA C 106 55.662 56.039 -0.377 1
1 1419 . 3 1 1 A 109 109 ASN HA H 106 3.994 4.112 -0.118 1
1 1420 . 3 1 1 A 109 109 ASN CB C 106 37.973 37.869 0.104 1
1 1426 . 3 1 1 A 109 109 ASN C C 106 176.928 177.472 -0.544 1
1 1427 . 3 1 1 A 110 110 ALA N N 107 121.997 122.544 -0.547 1
1 1428 . 3 1 1 A 110 110 ALA H H 107 7.718 8.375 -0.657 1
1 1429 . 3 1 1 A 110 110 ALA CA C 107 54.261 55.013 -0.752 1
1 1430 . 3 1 1 A 110 110 ALA HA H 107 3.979 4.038 -0.059 1
1 1434 . 3 1 1 A 110 110 ALA CB C 107 17.322 18.272 -0.950 1
1 1435 . 3 1 1 A 110 110 ALA C C 107 180.452 180.125 0.327 1
1 1436 . 3 1 1 A 111 111 LEU N N 108 119.150 117.781 1.369 1
1 1437 . 3 1 1 A 111 111 LEU H H 108 8.200 8.464 -0.264 1
1 1438 . 3 1 1 A 111 111 LEU CA C 108 56.264 57.391 -1.127 1
1 1439 . 3 1 1 A 111 111 LEU HA H 108 3.857 3.909 -0.052 1
1 1440 . 3 1 1 A 111 111 LEU CB C 108 41.134 41.146 -0.012 1
1 1453 . 3 1 1 A 111 111 LEU C C 108 178.144 179.055 -0.911 1
1 1454 . 3 1 1 A 112 112 ARG N N 109 117.178 119.062 -1.884 1
1 1455 . 3 1 1 A 112 112 ARG H H 109 7.365 8.005 -0.640 1
1 1456 . 3 1 1 A 112 112 ARG CA C 109 56.443 59.522 -3.079 1
1 1457 . 3 1 1 A 112 112 ARG HA H 109 2.642 3.763 -1.121 1
1 1458 . 3 1 1 A 112 112 ARG CB C 109 28.901 29.347 -0.446 1
1 1469 . 3 1 1 A 112 112 ARG C C 109 176.348 178.658 -2.310 1
1 1470 . 3 1 1 A 113 113 LYS N N 110 118.628 119.571 -0.943 1
1 1471 . 3 1 1 A 113 113 LYS H H 110 7.145 7.712 -0.567 1
1 1472 . 3 1 1 A 113 113 LYS CA C 110 56.410 59.196 -2.786 1
1 1473 . 3 1 1 A 113 113 LYS HA H 110 4.018 4.003 0.015 1
1 1474 . 3 1 1 A 113 113 LYS CB C 110 32.091 31.909 0.182 1
1 1486 . 3 1 1 A 113 113 LYS C C 110 176.164 178.935 -2.771 1
1 5 . 4 1 1 A 2 2 SER N N -2 115.414 112.495 2.919 1
1 6 . 4 1 1 A 2 2 SER H H -2 8.737 8.219 0.518 1
1 7 . 4 1 1 A 2 2 SER CA C -2 57.710 58.388 -0.678 1
1 8 . 4 1 1 A 2 2 SER HA H -2 4.446 4.614 -0.168 1
1 9 . 4 1 1 A 2 2 SER CB C -2 63.365 64.993 -1.628 1
1 12 . 4 1 1 A 2 2 SER C C -2 173.826 174.378 -0.552 1
1 40 . 4 1 1 A 5 5 ILE N N 2 122.114 115.145 6.969 1
1 41 . 4 1 1 A 5 5 ILE H H 2 8.292 7.935 0.357 1
1 42 . 4 1 1 A 5 5 ILE CA C 2 60.568 62.408 -1.840 1
1 43 . 4 1 1 A 5 5 ILE HA H 2 4.102 4.386 -0.284 1
1 44 . 4 1 1 A 5 5 ILE CB C 2 38.417 37.139 1.278 1
1 57 . 4 1 1 A 5 5 ILE C C 2 174.970 174.364 0.606 1
1 58 . 4 1 1 A 6 6 ASN N N 3 122.794 125.444 -2.650 1
1 59 . 4 1 1 A 6 6 ASN H H 3 8.636 8.489 0.147 1
1 60 . 4 1 1 A 6 6 ASN CA C 3 52.274 52.954 -0.680 1
1 61 . 4 1 1 A 6 6 ASN HA H 3 4.712 5.161 -0.449 1
1 62 . 4 1 1 A 6 6 ASN CB C 3 38.194 42.099 -3.905 1
1 68 . 4 1 1 A 6 6 ASN C C 3 174.766 175.146 -0.380 1
1 69 . 4 1 1 A 7 7 LEU N N 4 123.220 126.949 -3.729 1
1 70 . 4 1 1 A 7 7 LEU H H 4 8.484 9.005 -0.521 1
1 71 . 4 1 1 A 7 7 LEU CA C 4 55.359 57.611 -2.252 1
1 72 . 4 1 1 A 7 7 LEU HA H 4 4.197 4.313 -0.116 1
1 73 . 4 1 1 A 7 7 LEU CB C 4 41.461 42.142 -0.681 1
1 86 . 4 1 1 A 7 7 LEU C C 4 177.248 177.613 -0.365 1
1 87 . 4 1 1 A 8 8 GLU N N 5 119.354 117.075 2.279 1
1 88 . 4 1 1 A 8 8 GLU H H 5 8.455 7.742 0.713 1
1 89 . 4 1 1 A 8 8 GLU CA C 5 56.589 56.692 -0.103 1
1 90 . 4 1 1 A 8 8 GLU HA H 5 4.091 4.381 -0.290 1
1 91 . 4 1 1 A 8 8 GLU CB C 5 29.275 30.827 -1.552 1
1 97 . 4 1 1 A 8 8 GLU C C 5 175.981 175.929 0.052 1
1 98 . 4 1 1 A 9 9 ASP N N 6 119.780 120.494 -0.714 1
1 99 . 4 1 1 A 9 9 ASP H H 6 8.136 8.349 -0.213 1
1 100 . 4 1 1 A 9 9 ASP CA C 6 53.931 53.922 0.009 1
1 101 . 4 1 1 A 9 9 ASP HA H 6 4.492 4.878 -0.386 1
1 102 . 4 1 1 A 9 9 ASP CB C 6 40.360 42.111 -1.751 1
1 105 . 4 1 1 A 9 9 ASP C C 6 175.397 175.440 -0.043 1
1 106 . 4 1 1 A 10 10 TYR N N 7 119.939 119.926 0.013 1
1 107 . 4 1 1 A 10 10 TYR H H 7 7.902 7.783 0.119 1
1 108 . 4 1 1 A 10 10 TYR CA C 7 57.667 57.377 0.290 1
1 109 . 4 1 1 A 10 10 TYR HA H 7 4.431 4.778 -0.347 1
1 110 . 4 1 1 A 10 10 TYR CB C 7 38.236 39.664 -1.428 1
1 119 . 4 1 1 A 10 10 TYR C C 7 174.898 176.071 -1.173 1
1 120 . 4 1 1 A 11 11 TRP N N 8 122.648 121.001 1.647 1
1 121 . 4 1 1 A 11 11 TRP H H 8 7.917 7.739 0.178 1
1 122 . 4 1 1 A 11 11 TRP CA C 8 56.562 58.501 -1.939 1
1 123 . 4 1 1 A 11 11 TRP HA H 8 4.578 4.734 -0.156 1
1 124 . 4 1 1 A 11 11 TRP CB C 8 29.293 30.456 -1.163 1
1 139 . 4 1 1 A 11 11 TRP C C 8 175.212 175.708 -0.496 1
1 140 . 4 1 1 A 12 12 GLU N N 9 122.189 117.706 4.483 1
1 141 . 4 1 1 A 12 12 GLU H H 9 8.030 8.097 -0.067 1
1 142 . 4 1 1 A 12 12 GLU CA C 9 55.743 57.051 -1.308 1
1 143 . 4 1 1 A 12 12 GLU HA H 9 4.137 4.173 -0.036 1
1 144 . 4 1 1 A 12 12 GLU CB C 9 30.001 28.378 1.623 1
1 150 . 4 1 1 A 12 12 GLU C C 9 175.138 176.356 -1.218 1
1 151 . 4 1 1 A 13 13 ASP N N 10 121.099 123.217 -2.118 1
1 152 . 4 1 1 A 13 13 ASP H H 10 8.253 8.812 -0.559 1
1 153 . 4 1 1 A 13 13 ASP CA C 10 53.843 53.958 -0.115 1
1 154 . 4 1 1 A 13 13 ASP HA H 10 4.500 5.020 -0.520 1
1 155 . 4 1 1 A 13 13 ASP CB C 10 40.715 42.273 -1.558 1
1 158 . 4 1 1 A 13 13 ASP C C 10 175.700 176.417 -0.717 1
1 159 . 4 1 1 A 14 14 GLU N N 11 121.240 117.522 3.718 1
1 160 . 4 1 1 A 14 14 GLU H H 11 8.435 8.227 0.208 1
1 161 . 4 1 1 A 14 14 GLU CA C 11 55.858 55.452 0.406 1
1 162 . 4 1 1 A 14 14 GLU HA H 11 4.289 4.462 -0.173 1
1 163 . 4 1 1 A 14 14 GLU CB C 11 29.758 28.974 0.784 1
1 169 . 4 1 1 A 14 14 GLU C C 11 176.002 176.353 -0.351 1
1 170 . 4 1 1 A 15 15 THR N N 12 118.367 116.499 1.868 1
1 171 . 4 1 1 A 15 15 THR H H 12 8.407 7.381 1.026 1
1 172 . 4 1 1 A 15 15 THR CA C 12 59.646 60.427 -0.781 1
1 173 . 4 1 1 A 15 15 THR HA H 12 4.503 4.223 0.280 1
1 174 . 4 1 1 A 15 15 THR CB C 12 69.084 69.877 -0.793 1
1 181 . 4 1 1 A 16 16 PRO CA C 13 62.791 62.728 0.063 1
1 182 . 4 1 1 A 16 16 PRO HA H 13 4.408 4.610 -0.202 1
1 183 . 4 1 1 A 16 16 PRO CB C 13 31.771 33.646 -1.875 1
1 191 . 4 1 1 A 16 16 PRO C C 13 176.689 176.266 0.423 1
1 192 . 4 1 1 A 17 17 GLY N N 14 109.540 107.423 2.117 1
1 193 . 4 1 1 A 17 17 GLY H H 14 8.423 8.143 0.280 1
1 194 . 4 1 1 A 17 17 GLY CA C 14 44.219 46.101 -1.882 1
1 195 . 4 1 1 A 17 17 GLY HA2 H 14 4.010 4.014 -0.004 1
1 196 . 4 1 1 A 17 17 GLY HA3 H 14 4.159 4.014 0.145 1
1 198 . 4 1 1 A 18 18 PRO CA C 15 62.843 62.756 0.087 1
1 199 . 4 1 1 A 18 18 PRO HA H 15 4.412 4.629 -0.217 1
1 200 . 4 1 1 A 18 18 PRO CB C 15 31.667 32.461 -0.794 1
1 208 . 4 1 1 A 18 18 PRO C C 15 176.447 176.201 0.246 1
1 209 . 4 1 1 A 19 19 ASP N N 16 119.197 121.013 -1.816 1
1 210 . 4 1 1 A 19 19 ASP H H 16 8.517 8.356 0.161 1
1 211 . 4 1 1 A 19 19 ASP CA C 16 53.940 53.881 0.059 1
1 212 . 4 1 1 A 19 19 ASP HA H 16 4.559 4.587 -0.028 1
1 213 . 4 1 1 A 19 19 ASP CB C 16 40.180 40.203 -0.023 1
1 216 . 4 1 1 A 19 19 ASP C C 16 175.764 176.279 -0.515 1
1 217 . 4 1 1 A 20 20 ARG N N 17 120.435 119.145 1.290 1
1 218 . 4 1 1 A 20 20 ARG H H 17 8.201 8.202 -0.001 1
1 219 . 4 1 1 A 20 20 ARG CA C 17 55.216 57.309 -2.093 1
1 220 . 4 1 1 A 20 20 ARG HA H 17 4.356 4.616 -0.260 1
1 221 . 4 1 1 A 20 20 ARG CB C 17 30.184 33.425 -3.241 1
1 237 . 4 1 1 A 20 20 ARG C C 17 175.724 175.795 -0.071 1
1 238 . 4 1 1 A 21 21 GLU N N 18 122.477 119.678 2.799 1
1 239 . 4 1 1 A 21 21 GLU H H 18 8.371 7.823 0.548 1
1 240 . 4 1 1 A 21 21 GLU CA C 18 53.658 54.775 -1.117 1
1 241 . 4 1 1 A 21 21 GLU HA H 18 4.657 4.497 0.160 1
1 242 . 4 1 1 A 21 21 GLU CB C 18 28.984 30.931 -1.947 1
1 249 . 4 1 1 A 22 22 PRO CA C 19 62.442 62.431 0.011 1
1 250 . 4 1 1 A 22 22 PRO HA H 19 4.516 4.608 -0.092 1
1 251 . 4 1 1 A 22 22 PRO CB C 19 31.903 33.176 -1.273 1
1 259 . 4 1 1 A 22 22 PRO C C 19 176.323 175.314 1.009 1
1 260 . 4 1 1 A 23 23 THR N N 20 112.531 114.272 -1.741 1
1 261 . 4 1 1 A 23 23 THR H H 20 7.946 8.348 -0.402 1
1 262 . 4 1 1 A 23 23 THR CA C 20 60.521 61.355 -0.834 1
1 263 . 4 1 1 A 23 23 THR HA H 20 4.373 4.660 -0.287 1
1 264 . 4 1 1 A 23 23 THR CB C 20 70.238 72.182 -1.944 1
1 270 . 4 1 1 A 23 23 THR C C 20 174.678 174.725 -0.047 1
1 271 . 4 1 1 A 24 24 ASN N N 21 120.631 124.598 -3.967 1
1 272 . 4 1 1 A 24 24 ASN H H 21 8.958 9.053 -0.095 1
1 273 . 4 1 1 A 24 24 ASN CA C 21 54.854 56.881 -2.027 1
1 274 . 4 1 1 A 24 24 ASN HA H 21 4.467 4.309 0.158 1
1 275 . 4 1 1 A 24 24 ASN CB C 21 37.535 38.703 -1.168 1
1 281 . 4 1 1 A 24 24 ASN C C 21 176.397 176.726 -0.329 1
1 282 . 4 1 1 A 25 25 GLU N N 22 120.237 119.157 1.080 1
1 283 . 4 1 1 A 25 25 GLU H H 22 8.644 8.219 0.425 1
1 284 . 4 1 1 A 25 25 GLU CA C 22 59.195 58.992 0.203 1
1 285 . 4 1 1 A 25 25 GLU HA H 22 4.076 4.111 -0.035 1
1 286 . 4 1 1 A 25 25 GLU CB C 22 28.567 29.782 -1.215 1
1 292 . 4 1 1 A 25 25 GLU C C 22 177.942 178.879 -0.937 1
1 293 . 4 1 1 A 26 26 LEU N N 23 122.376 121.183 1.193 1
1 294 . 4 1 1 A 26 26 LEU H H 23 8.109 8.159 -0.050 1
1 295 . 4 1 1 A 26 26 LEU CA C 23 56.940 58.289 -1.349 1
1 296 . 4 1 1 A 26 26 LEU HA H 23 4.247 3.977 0.270 1
1 297 . 4 1 1 A 26 26 LEU CB C 23 40.425 41.690 -1.265 1
1 310 . 4 1 1 A 26 26 LEU C C 23 178.298 178.207 0.091 1
1 311 . 4 1 1 A 27 27 ARG N N 24 118.606 118.160 0.446 1
1 312 . 4 1 1 A 27 27 ARG H H 24 8.225 8.246 -0.021 1
1 313 . 4 1 1 A 27 27 ARG CA C 24 59.892 58.989 0.903 1
1 314 . 4 1 1 A 27 27 ARG HA H 24 3.875 4.029 -0.154 1
1 315 . 4 1 1 A 27 27 ARG CB C 24 28.853 29.937 -1.084 1
1 331 . 4 1 1 A 27 27 ARG C C 24 178.374 178.578 -0.204 1
1 332 . 4 1 1 A 28 28 ASN N N 25 117.812 118.400 -0.588 1
1 333 . 4 1 1 A 28 28 ASN H H 25 8.146 8.242 -0.096 1
1 334 . 4 1 1 A 28 28 ASN CA C 25 55.753 56.626 -0.873 1
1 335 . 4 1 1 A 28 28 ASN HA H 25 4.452 4.458 -0.006 1
1 336 . 4 1 1 A 28 28 ASN CB C 25 37.388 38.949 -1.561 1
1 342 . 4 1 1 A 28 28 ASN C C 25 177.043 177.574 -0.531 1
1 343 . 4 1 1 A 29 29 GLU N N 26 121.177 118.607 2.570 1
1 344 . 4 1 1 A 29 29 GLU H H 26 8.247 8.258 -0.011 1
1 345 . 4 1 1 A 29 29 GLU CA C 26 58.897 58.882 0.015 1
1 346 . 4 1 1 A 29 29 GLU HA H 26 4.075 4.139 -0.064 1
1 347 . 4 1 1 A 29 29 GLU CB C 26 29.202 29.376 -0.174 1
1 353 . 4 1 1 A 29 29 GLU C C 26 180.215 179.114 1.101 1
1 354 . 4 1 1 A 30 30 VAL N N 27 123.509 121.051 2.458 1
1 355 . 4 1 1 A 30 30 VAL H H 27 8.793 7.939 0.854 1
1 356 . 4 1 1 A 30 30 VAL CA C 27 68.051 66.899 1.152 1
1 357 . 4 1 1 A 30 30 VAL HA H 27 3.413 3.505 -0.092 1
1 358 . 4 1 1 A 30 30 VAL CB C 27 31.196 31.665 -0.469 1
1 368 . 4 1 1 A 30 30 VAL C C 27 176.589 177.700 -1.111 1
1 369 . 4 1 1 A 31 31 GLU N N 28 119.159 120.228 -1.069 1
1 370 . 4 1 1 A 31 31 GLU H H 28 8.042 8.398 -0.356 1
1 371 . 4 1 1 A 31 31 GLU CA C 28 59.379 59.214 0.165 1
1 372 . 4 1 1 A 31 31 GLU HA H 28 3.946 4.036 -0.090 1
1 373 . 4 1 1 A 31 31 GLU CB C 28 28.603 29.297 -0.694 1
1 379 . 4 1 1 A 31 31 GLU C C 28 179.282 178.860 0.422 1
1 380 . 4 1 1 A 32 32 GLU N N 29 118.871 119.872 -1.001 1
1 381 . 4 1 1 A 32 32 GLU H H 29 8.550 8.076 0.474 1
1 382 . 4 1 1 A 32 32 GLU CA C 29 58.770 59.214 -0.444 1
1 383 . 4 1 1 A 32 32 GLU HA H 29 4.056 4.096 -0.040 1
1 384 . 4 1 1 A 32 32 GLU CB C 29 29.214 29.702 -0.488 1
1 390 . 4 1 1 A 32 32 GLU C C 29 178.791 179.492 -0.701 1
1 391 . 4 1 1 A 33 33 THR N N 30 117.719 116.432 1.287 1
1 392 . 4 1 1 A 33 33 THR H H 30 8.205 8.462 -0.257 1
1 393 . 4 1 1 A 33 33 THR CA C 30 67.465 67.094 0.371 1
1 394 . 4 1 1 A 33 33 THR HA H 30 3.816 4.046 -0.230 1
1 395 . 4 1 1 A 33 33 THR CB C 30 66.888 67.870 -0.982 1
1 401 . 4 1 1 A 33 33 THR C C 30 175.681 176.962 -1.281 1
1 402 . 4 1 1 A 34 34 ILE N N 31 123.925 121.715 2.210 1
1 403 . 4 1 1 A 34 34 ILE H H 31 8.698 8.341 0.357 1
1 404 . 4 1 1 A 34 34 ILE CA C 31 66.438 64.680 1.758 1
1 405 . 4 1 1 A 34 34 ILE HA H 31 3.442 3.742 -0.300 1
1 406 . 4 1 1 A 34 34 ILE CB C 31 37.311 37.352 -0.041 1
1 416 . 4 1 1 A 34 34 ILE C C 31 176.731 178.219 -1.488 1
1 417 . 4 1 1 A 35 35 THR N N 32 116.478 118.467 -1.989 1
1 418 . 4 1 1 A 35 35 THR H H 32 7.956 8.155 -0.199 1
1 419 . 4 1 1 A 35 35 THR CA C 32 66.447 67.206 -0.759 1
1 420 . 4 1 1 A 35 35 THR HA H 32 3.929 3.919 0.010 1
1 421 . 4 1 1 A 35 35 THR CB C 32 67.964 68.038 -0.074 1
1 427 . 4 1 1 A 35 35 THR C C 32 176.226 176.774 -0.548 1
1 428 . 4 1 1 A 36 36 LEU N N 33 119.834 120.228 -0.394 1
1 429 . 4 1 1 A 36 36 LEU H H 33 7.663 8.151 -0.488 1
1 430 . 4 1 1 A 36 36 LEU CA C 33 57.274 57.947 -0.673 1
1 431 . 4 1 1 A 36 36 LEU HA H 33 4.075 4.034 0.041 1
1 432 . 4 1 1 A 36 36 LEU CB C 33 42.188 41.029 1.159 1
1 445 . 4 1 1 A 36 36 LEU C C 33 179.412 179.598 -0.186 1
1 446 . 4 1 1 A 37 37 MET N N 34 119.993 118.098 1.895 1
1 447 . 4 1 1 A 37 37 MET H H 34 8.509 8.534 -0.025 1
1 448 . 4 1 1 A 37 37 MET CA C 34 57.865 57.769 0.096 1
1 449 . 4 1 1 A 37 37 MET HA H 34 3.865 4.208 -0.343 1
1 450 . 4 1 1 A 37 37 MET CB C 34 28.735 32.345 -3.610 1
1 460 . 4 1 1 A 37 37 MET C C 34 178.772 178.140 0.632 1
1 461 . 4 1 1 A 38 38 GLU N N 35 120.011 120.548 -0.537 1
1 462 . 4 1 1 A 38 38 GLU H H 35 8.321 8.317 0.004 1
1 463 . 4 1 1 A 38 38 GLU CA C 35 58.442 58.696 -0.254 1
1 464 . 4 1 1 A 38 38 GLU HA H 35 3.928 4.076 -0.148 1
1 465 . 4 1 1 A 38 38 GLU CB C 35 28.943 29.613 -0.670 1
1 471 . 4 1 1 A 38 38 GLU C C 35 176.040 177.805 -1.765 1
1 472 . 4 1 1 A 39 39 LEU N N 36 118.349 117.609 0.740 1
1 473 . 4 1 1 A 39 39 LEU H H 36 7.441 7.200 0.241 1
1 474 . 4 1 1 A 39 39 LEU CA C 36 54.614 54.087 0.527 1
1 475 . 4 1 1 A 39 39 LEU HA H 36 4.393 4.396 -0.003 1
1 476 . 4 1 1 A 39 39 LEU CB C 36 42.210 41.286 0.924 1
1 489 . 4 1 1 A 39 39 LEU C C 36 178.113 176.763 1.350 1
1 490 . 4 1 1 A 40 40 LEU N N 37 118.362 122.288 -3.926 1
1 491 . 4 1 1 A 40 40 LEU H H 37 7.464 7.488 -0.024 1
1 492 . 4 1 1 A 40 40 LEU CA C 37 54.659 55.998 -1.339 1
1 493 . 4 1 1 A 40 40 LEU HA H 37 4.400 4.098 0.302 1
1 494 . 4 1 1 A 40 40 LEU CB C 37 40.993 42.552 -1.559 1
1 507 . 4 1 1 A 40 40 LEU C C 37 177.827 175.980 1.847 1
1 508 . 4 1 1 A 41 41 LYS N N 38 120.851 123.252 -2.401 1
1 509 . 4 1 1 A 41 41 LYS H H 38 9.254 8.082 1.172 1
1 510 . 4 1 1 A 41 41 LYS CA C 38 54.727 54.314 0.413 1
1 511 . 4 1 1 A 41 41 LYS HA H 38 4.572 4.647 -0.075 1
1 512 . 4 1 1 A 41 41 LYS CB C 38 33.768 34.008 -0.240 1
1 524 . 4 1 1 A 41 41 LYS C C 38 177.911 178.056 -0.145 1
1 525 . 4 1 1 A 42 42 VAL N N 39 122.215 118.469 3.746 1
1 526 . 4 1 1 A 42 42 VAL H H 39 9.039 8.675 0.364 1
1 527 . 4 1 1 A 42 42 VAL CA C 39 67.408 65.357 2.051 1
1 528 . 4 1 1 A 42 42 VAL HA H 39 3.699 3.711 -0.012 1
1 529 . 4 1 1 A 42 42 VAL CB C 39 31.056 31.694 -0.638 1
1 539 . 4 1 1 A 42 42 VAL C C 39 176.560 177.284 -0.724 1
1 540 . 4 1 1 A 43 43 SER N N 40 114.377 117.290 -2.913 1
1 541 . 4 1 1 A 43 43 SER H H 40 8.686 8.119 0.567 1
1 542 . 4 1 1 A 43 43 SER CA C 40 61.144 61.839 -0.695 1
1 543 . 4 1 1 A 43 43 SER HA H 40 3.933 4.076 -0.143 1
1 544 . 4 1 1 A 43 43 SER CB C 40 60.933 62.797 -1.864 1
1 547 . 4 1 1 A 43 43 SER C C 40 175.910 176.995 -1.085 1
1 548 . 4 1 1 A 44 44 GLU N N 41 122.833 122.002 0.831 1
1 549 . 4 1 1 A 44 44 GLU H H 41 6.661 7.888 -1.227 1
1 550 . 4 1 1 A 44 44 GLU CA C 41 57.315 59.327 -2.012 1
1 551 . 4 1 1 A 44 44 GLU HA H 41 4.363 4.058 0.305 1
1 552 . 4 1 1 A 44 44 GLU CB C 41 30.399 29.351 1.048 1
1 558 . 4 1 1 A 44 44 GLU C C 41 178.185 179.203 -1.018 1
1 559 . 4 1 1 A 45 45 LEU N N 42 119.110 120.593 -1.483 1
1 560 . 4 1 1 A 45 45 LEU H H 42 8.393 8.624 -0.231 1
1 561 . 4 1 1 A 45 45 LEU CA C 42 57.359 57.578 -0.219 1
1 562 . 4 1 1 A 45 45 LEU HA H 42 3.918 3.892 0.026 1
1 563 . 4 1 1 A 45 45 LEU CB C 42 42.476 41.704 0.772 1
1 576 . 4 1 1 A 45 45 LEU C C 42 179.735 179.104 0.631 1
1 577 . 4 1 1 A 46 46 LYS N N 43 118.025 117.128 0.897 1
1 578 . 4 1 1 A 46 46 LYS H H 43 8.596 8.148 0.448 1
1 579 . 4 1 1 A 46 46 LYS CA C 43 60.844 60.451 0.393 1
1 580 . 4 1 1 A 46 46 LYS HA H 43 3.816 3.831 -0.015 1
1 581 . 4 1 1 A 46 46 LYS CB C 43 31.918 32.252 -0.334 1
1 593 . 4 1 1 A 46 46 LYS C C 43 177.672 179.464 -1.792 1
1 594 . 4 1 1 A 47 47 ASP N N 44 119.267 119.665 -0.398 1
1 595 . 4 1 1 A 47 47 ASP H H 44 7.448 8.184 -0.736 1
1 596 . 4 1 1 A 47 47 ASP CA C 44 57.422 57.382 0.040 1
1 597 . 4 1 1 A 47 47 ASP HA H 44 4.555 4.354 0.201 1
1 598 . 4 1 1 A 47 47 ASP CB C 44 39.264 40.775 -1.511 1
1 601 . 4 1 1 A 47 47 ASP C C 44 179.284 178.963 0.321 1
1 602 . 4 1 1 A 48 48 ILE N N 45 120.817 118.964 1.853 1
1 603 . 4 1 1 A 48 48 ILE H H 45 7.871 8.075 -0.204 1
1 604 . 4 1 1 A 48 48 ILE CA C 45 64.604 65.319 -0.715 1
1 605 . 4 1 1 A 48 48 ILE HA H 45 3.653 3.520 0.133 1
1 606 . 4 1 1 A 48 48 ILE CB C 45 36.293 38.337 -2.044 1
1 619 . 4 1 1 A 48 48 ILE C C 45 177.180 177.528 -0.348 1
1 620 . 4 1 1 A 49 49 CYS N N 46 117.775 119.533 -1.758 1
1 621 . 4 1 1 A 49 49 CYS H H 46 8.543 8.473 0.070 1
1 622 . 4 1 1 A 49 49 CYS CA C 46 64.971 63.410 1.561 1
1 623 . 4 1 1 A 49 49 CYS HA H 46 3.852 3.871 -0.019 1
1 624 . 4 1 1 A 49 49 CYS CB C 46 25.872 26.807 -0.935 1
1 627 . 4 1 1 A 49 49 CYS C C 46 176.288 177.356 -1.068 1
1 628 . 4 1 1 A 50 50 ARG N N 47 118.702 120.622 -1.920 1
1 629 . 4 1 1 A 50 50 ARG H H 47 8.626 8.057 0.569 1
1 630 . 4 1 1 A 50 50 ARG CA C 47 58.983 59.650 -0.667 1
1 631 . 4 1 1 A 50 50 ARG HA H 47 4.058 4.064 -0.006 1
1 632 . 4 1 1 A 50 50 ARG CB C 47 29.512 30.466 -0.954 1
1 648 . 4 1 1 A 50 50 ARG C C 47 179.270 178.792 0.478 1
1 649 . 4 1 1 A 51 51 SER N N 48 114.502 114.711 -0.209 1
1 650 . 4 1 1 A 51 51 SER H H 48 7.514 7.989 -0.475 1
1 651 . 4 1 1 A 51 51 SER CA C 48 61.745 61.156 0.589 1
1 652 . 4 1 1 A 51 51 SER HA H 48 4.308 4.261 0.047 1
1 653 . 4 1 1 A 51 51 SER CB C 48 62.780 63.352 -0.572 1
1 656 . 4 1 1 A 51 51 SER C C 48 176.764 175.716 1.048 1
1 657 . 4 1 1 A 52 52 VAL N N 49 113.832 118.578 -4.746 1
1 658 . 4 1 1 A 52 52 VAL H H 49 7.511 7.490 0.021 1
1 659 . 4 1 1 A 52 52 VAL CA C 49 60.751 61.757 -1.006 1
1 660 . 4 1 1 A 52 52 VAL HA H 49 3.760 3.535 0.225 1
1 661 . 4 1 1 A 52 52 VAL CB C 49 30.719 31.657 -0.938 1
1 671 . 4 1 1 A 52 52 VAL C C 49 173.462 175.117 -1.655 1
1 672 . 4 1 1 A 53 53 SER N N 50 112.698 116.197 -3.499 1
1 673 . 4 1 1 A 53 53 SER H H 50 7.653 8.071 -0.418 1
1 674 . 4 1 1 A 53 53 SER CA C 50 59.025 59.523 -0.498 1
1 675 . 4 1 1 A 53 53 SER HA H 50 3.911 4.120 -0.209 1
1 676 . 4 1 1 A 53 53 SER CB C 50 60.895 61.958 -1.063 1
1 679 . 4 1 1 A 53 53 SER C C 50 174.065 173.455 0.610 1
1 680 . 4 1 1 A 54 54 PHE N N 51 120.132 120.940 -0.808 1
1 681 . 4 1 1 A 54 54 PHE H H 51 8.332 7.857 0.475 1
1 682 . 4 1 1 A 54 54 PHE CA C 51 51.743 56.816 -5.073 1
1 683 . 4 1 1 A 54 54 PHE HA H 51 5.171 4.485 0.686 1
1 684 . 4 1 1 A 54 54 PHE CB C 51 37.762 38.552 -0.790 1
1 696 . 4 1 1 A 55 55 PRO CA C 52 62.176 62.487 -0.311 1
1 697 . 4 1 1 A 55 55 PRO HA H 52 4.417 4.623 -0.206 1
1 698 . 4 1 1 A 55 55 PRO CB C 52 31.347 31.485 -0.138 1
1 706 . 4 1 1 A 55 55 PRO C C 52 176.296 177.024 -0.728 1
1 707 . 4 1 1 A 56 56 VAL N N 53 109.933 125.375 -15.442 1
1 708 . 4 1 1 A 56 56 VAL H H 53 7.986 8.853 -0.867 1
1 709 . 4 1 1 A 56 56 VAL CA C 53 59.863 62.273 -2.410 1
1 710 . 4 1 1 A 56 56 VAL HA H 53 4.404 4.422 -0.018 1
1 711 . 4 1 1 A 56 56 VAL CB C 53 31.483 31.889 -0.406 1
1 721 . 4 1 1 A 56 56 VAL C C 53 175.074 176.530 -1.456 1
1 722 . 4 1 1 A 57 57 SER N N 54 114.614 116.487 -1.873 1
1 723 . 4 1 1 A 57 57 SER H H 54 7.304 8.106 -0.802 1
1 724 . 4 1 1 A 57 57 SER CA C 54 57.295 60.050 -2.755 1
1 725 . 4 1 1 A 57 57 SER HA H 54 4.363 4.336 0.027 1
1 726 . 4 1 1 A 57 57 SER CB C 54 63.351 63.162 0.189 1
1 729 . 4 1 1 A 57 57 SER C C 54 174.225 175.857 -1.632 1
1 730 . 4 1 1 A 58 58 GLY N N 55 110.300 111.069 -0.769 1
1 731 . 4 1 1 A 58 58 GLY H H 55 8.545 7.798 0.747 1
1 732 . 4 1 1 A 58 58 GLY CA C 55 43.806 44.319 -0.513 1
1 733 . 4 1 1 A 58 58 GLY HA2 H 55 4.009 4.036 -0.027 1
1 734 . 4 1 1 A 58 58 GLY HA3 H 55 3.715 4.037 -0.322 1
1 735 . 4 1 1 A 58 58 GLY C C 55 172.483 173.155 -0.672 1
1 736 . 4 1 1 A 59 59 ARG N N 56 116.392 120.106 -3.714 1
1 737 . 4 1 1 A 59 59 ARG H H 56 7.913 8.637 -0.724 1
1 738 . 4 1 1 A 59 59 ARG CA C 56 54.769 53.866 0.903 1
1 739 . 4 1 1 A 59 59 ARG HA H 56 4.371 4.862 -0.491 1
1 740 . 4 1 1 A 59 59 ARG CB C 56 30.447 33.157 -2.710 1
1 752 . 4 1 1 A 59 59 ARG C C 56 176.019 176.731 -0.712 1
1 753 . 4 1 1 A 60 60 LYS N N 57 122.009 119.763 2.246 1
1 754 . 4 1 1 A 60 60 LYS H H 57 8.811 9.120 -0.309 1
1 755 . 4 1 1 A 60 60 LYS CA C 57 61.236 59.694 1.542 1
1 756 . 4 1 1 A 60 60 LYS HA H 57 3.606 3.895 -0.289 1
1 757 . 4 1 1 A 60 60 LYS CB C 57 32.419 32.065 0.354 1
1 769 . 4 1 1 A 60 60 LYS C C 57 176.824 178.896 -2.072 1
1 770 . 4 1 1 A 61 61 ALA N N 58 116.880 122.014 -5.134 1
1 771 . 4 1 1 A 61 61 ALA H H 58 8.794 7.926 0.868 1
1 772 . 4 1 1 A 61 61 ALA CA C 58 54.617 55.261 -0.644 1
1 773 . 4 1 1 A 61 61 ALA HA H 58 4.129 4.247 -0.118 1
1 777 . 4 1 1 A 61 61 ALA CB C 58 18.103 18.116 -0.013 1
1 778 . 4 1 1 A 61 61 ALA C C 58 179.574 179.954 -0.380 1
1 779 . 4 1 1 A 62 62 VAL N N 59 117.408 118.546 -1.138 1
1 780 . 4 1 1 A 62 62 VAL H H 59 7.047 7.878 -0.831 1
1 781 . 4 1 1 A 62 62 VAL CA C 59 64.864 67.020 -2.156 1
1 782 . 4 1 1 A 62 62 VAL HA H 59 3.701 3.525 0.176 1
1 783 . 4 1 1 A 62 62 VAL CB C 59 31.301 31.304 -0.003 1
1 793 . 4 1 1 A 62 62 VAL C C 59 178.103 178.302 -0.199 1
1 794 . 4 1 1 A 63 63 LEU N N 60 119.573 119.814 -0.241 1
1 795 . 4 1 1 A 63 63 LEU H H 60 7.585 8.151 -0.566 1
1 796 . 4 1 1 A 63 63 LEU CA C 60 57.571 58.223 -0.652 1
1 797 . 4 1 1 A 63 63 LEU HA H 60 3.923 3.844 0.079 1
1 798 . 4 1 1 A 63 63 LEU CB C 60 41.711 41.607 0.104 1
1 810 . 4 1 1 A 63 63 LEU C C 60 178.692 178.967 -0.275 1
1 811 . 4 1 1 A 64 64 GLN N N 61 114.206 117.344 -3.138 1
1 812 . 4 1 1 A 64 64 GLN H H 61 8.373 8.711 -0.338 1
1 813 . 4 1 1 A 64 64 GLN CA C 61 58.039 58.465 -0.426 1
1 814 . 4 1 1 A 64 64 GLN HA H 61 4.090 4.012 0.078 1
1 815 . 4 1 1 A 64 64 GLN CB C 61 28.670 28.518 0.152 1
1 821 . 4 1 1 A 64 64 GLN C C 61 178.207 177.311 0.896 1
1 822 . 4 1 1 A 65 65 ASP N N 62 118.671 120.210 -1.539 1
1 823 . 4 1 1 A 65 65 ASP H H 62 7.973 7.879 0.094 1
1 824 . 4 1 1 A 65 65 ASP CA C 62 56.961 57.452 -0.491 1
1 825 . 4 1 1 A 65 65 ASP HA H 62 4.353 4.478 -0.125 1
1 826 . 4 1 1 A 65 65 ASP CB C 62 39.856 40.542 -0.686 1
1 829 . 4 1 1 A 65 65 ASP C C 62 178.113 179.020 -0.907 1
1 830 . 4 1 1 A 66 66 LEU N N 63 119.708 120.751 -1.043 1
1 831 . 4 1 1 A 66 66 LEU H H 63 7.970 8.097 -0.127 1
1 832 . 4 1 1 A 66 66 LEU CA C 63 57.549 57.972 -0.423 1
1 833 . 4 1 1 A 66 66 LEU HA H 63 3.838 4.084 -0.246 1
1 834 . 4 1 1 A 66 66 LEU CB C 63 41.235 41.948 -0.713 1
1 847 . 4 1 1 A 66 66 LEU C C 63 180.041 179.002 1.039 1
1 848 . 4 1 1 A 67 67 ILE N N 64 118.309 119.375 -1.066 1
1 849 . 4 1 1 A 67 67 ILE H H 64 7.555 8.043 -0.488 1
1 850 . 4 1 1 A 67 67 ILE CA C 64 63.895 65.350 -1.455 1
1 851 . 4 1 1 A 67 67 ILE HA H 64 3.794 3.383 0.411 1
1 852 . 4 1 1 A 67 67 ILE CB C 64 37.181 37.495 -0.314 1
1 865 . 4 1 1 A 67 67 ILE C C 64 176.949 178.034 -1.085 1
1 866 . 4 1 1 A 68 68 ARG N N 65 122.359 120.433 1.926 1
1 867 . 4 1 1 A 68 68 ARG H H 65 9.489 8.289 1.200 1
1 868 . 4 1 1 A 68 68 ARG CA C 65 60.488 60.039 0.449 1
1 869 . 4 1 1 A 68 68 ARG HA H 65 3.692 3.919 -0.227 1
1 870 . 4 1 1 A 68 68 ARG CB C 65 29.897 30.206 -0.309 1
1 880 . 4 1 1 A 68 68 ARG C C 65 177.728 179.144 -1.416 1
1 881 . 4 1 1 A 69 69 ASN N N 66 116.248 116.663 -0.415 1
1 882 . 4 1 1 A 69 69 ASN H H 66 8.546 8.496 0.050 1
1 883 . 4 1 1 A 69 69 ASN CA C 66 55.945 56.365 -0.420 1
1 884 . 4 1 1 A 69 69 ASN HA H 66 4.391 4.503 -0.112 1
1 885 . 4 1 1 A 69 69 ASN CB C 66 37.828 38.137 -0.309 1
1 891 . 4 1 1 A 69 69 ASN C C 66 176.520 178.537 -2.017 1
1 892 . 4 1 1 A 70 70 PHE N N 67 121.134 119.159 1.975 1
1 893 . 4 1 1 A 70 70 PHE H H 67 7.693 8.321 -0.628 1
1 894 . 4 1 1 A 70 70 PHE CA C 67 60.170 60.639 -0.469 1
1 895 . 4 1 1 A 70 70 PHE HA H 67 4.535 4.353 0.182 1
1 896 . 4 1 1 A 70 70 PHE CB C 67 39.838 39.095 0.743 1
1 902 . 4 1 1 A 70 70 PHE C C 67 177.756 178.105 -0.349 1
1 903 . 4 1 1 A 71 71 LEU N N 68 117.959 119.805 -1.846 1
1 904 . 4 1 1 A 71 71 LEU H H 68 8.336 8.455 -0.119 1
1 905 . 4 1 1 A 71 71 LEU CA C 68 57.468 58.163 -0.695 1
1 906 . 4 1 1 A 71 71 LEU HA H 68 3.828 4.008 -0.180 1
1 907 . 4 1 1 A 71 71 LEU CB C 68 42.156 41.556 0.600 1
1 919 . 4 1 1 A 71 71 LEU C C 68 178.037 178.862 -0.825 1
1 920 . 4 1 1 A 72 72 GLN N N 69 117.479 118.145 -0.666 1
1 921 . 4 1 1 A 72 72 GLN H H 69 8.802 8.259 0.543 1
1 922 . 4 1 1 A 72 72 GLN CA C 69 58.632 59.152 -0.520 1
1 923 . 4 1 1 A 72 72 GLN HA H 69 3.906 4.115 -0.209 1
1 924 . 4 1 1 A 72 72 GLN CB C 69 27.010 28.159 -1.149 1
1 933 . 4 1 1 A 72 72 GLN C C 69 179.337 178.197 1.140 1
1 934 . 4 1 1 A 73 73 ASN N N 70 117.551 118.445 -0.894 1
1 935 . 4 1 1 A 73 73 ASN H H 70 8.124 8.051 0.073 1
1 936 . 4 1 1 A 73 73 ASN CA C 70 54.051 56.023 -1.972 1
1 937 . 4 1 1 A 73 73 ASN HA H 70 4.602 4.480 0.122 1
1 938 . 4 1 1 A 73 73 ASN CB C 70 37.810 38.201 -0.391 1
1 944 . 4 1 1 A 73 73 ASN C C 70 175.490 177.648 -2.158 1
1 945 . 4 1 1 A 74 74 ALA N N 71 120.962 120.295 0.667 1
1 946 . 4 1 1 A 74 74 ALA H H 71 7.787 7.844 -0.057 1
1 947 . 4 1 1 A 74 74 ALA CA C 71 53.143 54.176 -1.033 1
1 948 . 4 1 1 A 74 74 ALA HA H 71 4.193 4.074 0.119 1
1 952 . 4 1 1 A 74 74 ALA CB C 71 19.064 18.584 0.480 1
1 953 . 4 1 1 A 74 74 ALA C C 71 176.255 178.542 -2.287 1
1 954 . 4 1 1 A 75 75 LEU N N 72 112.822 114.782 -1.960 1
1 955 . 4 1 1 A 75 75 LEU H H 72 7.381 7.689 -0.308 1
1 956 . 4 1 1 A 75 75 LEU CA C 72 52.987 54.133 -1.146 1
1 957 . 4 1 1 A 75 75 LEU HA H 72 4.305 4.462 -0.157 1
1 958 . 4 1 1 A 75 75 LEU CB C 72 41.490 41.909 -0.419 1
1 971 . 4 1 1 A 75 75 LEU C C 72 175.867 175.637 0.230 1
1 972 . 4 1 1 A 76 76 VAL N N 73 120.671 120.821 -0.150 1
1 973 . 4 1 1 A 76 76 VAL H H 73 6.797 6.997 -0.200 1
1 974 . 4 1 1 A 76 76 VAL CA C 73 62.994 61.829 1.165 1
1 975 . 4 1 1 A 76 76 VAL HA H 73 3.707 4.028 -0.321 1
1 976 . 4 1 1 A 76 76 VAL CB C 73 32.014 32.377 -0.363 1
1 986 . 4 1 1 A 76 76 VAL C C 73 176.144 175.993 0.151 1
1 987 . 4 1 1 A 77 77 VAL N N 74 128.303 126.025 2.278 1
1 988 . 4 1 1 A 77 77 VAL H H 74 8.407 8.594 -0.187 1
1 989 . 4 1 1 A 77 77 VAL CA C 74 64.673 65.282 -0.609 1
1 990 . 4 1 1 A 77 77 VAL HA H 74 3.651 3.545 0.106 1
1 991 . 4 1 1 A 77 77 VAL CB C 74 30.789 31.366 -0.577 1
1 1001 . 4 1 1 A 77 77 VAL C C 74 176.911 177.338 -0.427 1
1 1002 . 4 1 1 A 78 78 GLY N N 75 116.087 115.169 0.918 1
1 1003 . 4 1 1 A 78 78 GLY H H 75 8.827 8.991 -0.164 1
1 1004 . 4 1 1 A 78 78 GLY CA C 75 45.004 46.180 -1.176 1
1 1005 . 4 1 1 A 78 78 GLY HA2 H 75 4.236 3.955 0.281 1
1 1006 . 4 1 1 A 78 78 GLY HA3 H 75 3.738 3.958 -0.220 1
1 1007 . 4 1 1 A 78 78 GLY C C 75 173.779 174.364 -0.585 1
1 1008 . 4 1 1 A 79 79 LYS N N 76 121.612 120.601 1.011 1
1 1009 . 4 1 1 A 79 79 LYS H H 76 8.140 7.565 0.575 1
1 1010 . 4 1 1 A 79 79 LYS CA C 76 54.078 55.541 -1.463 1
1 1011 . 4 1 1 A 79 79 LYS HA H 76 4.588 4.504 0.084 1
1 1012 . 4 1 1 A 79 79 LYS CB C 76 32.708 33.345 -0.637 1
1 1024 . 4 1 1 A 79 79 LYS C C 76 175.177 175.081 0.096 1
1 1025 . 4 1 1 A 80 80 SER N N 77 117.166 115.137 2.029 1
1 1026 . 4 1 1 A 80 80 SER H H 77 8.241 7.691 0.550 1
1 1027 . 4 1 1 A 80 80 SER CA C 77 59.173 58.942 0.231 1
1 1028 . 4 1 1 A 80 80 SER HA H 77 4.356 4.443 -0.087 1
1 1029 . 4 1 1 A 80 80 SER CB C 77 63.288 63.103 0.185 1
1 1032 . 4 1 1 A 80 80 SER C C 77 174.793 173.987 0.806 1
1 1033 . 4 1 1 A 81 81 ASP N N 78 118.775 126.972 -8.197 1
1 1034 . 4 1 1 A 81 81 ASP H H 78 8.506 8.395 0.111 1
1 1035 . 4 1 1 A 81 81 ASP CA C 78 50.069 51.242 -1.173 1
1 1036 . 4 1 1 A 81 81 ASP HA H 78 5.423 5.023 0.400 1
1 1037 . 4 1 1 A 81 81 ASP CB C 78 41.498 41.685 -0.187 1
1 1041 . 4 1 1 A 82 82 PRO CA C 79 63.656 64.189 -0.533 1
1 1042 . 4 1 1 A 82 82 PRO HA H 79 4.271 4.376 -0.105 1
1 1043 . 4 1 1 A 82 82 PRO CB C 79 31.303 31.848 -0.545 1
1 1051 . 4 1 1 A 82 82 PRO C C 79 178.645 177.313 1.332 1
1 1052 . 4 1 1 A 83 83 TYR N N 80 117.360 117.415 -0.055 1
1 1053 . 4 1 1 A 83 83 TYR H H 80 7.561 7.392 0.169 1
1 1054 . 4 1 1 A 83 83 TYR CA C 80 59.635 61.478 -1.843 1
1 1055 . 4 1 1 A 83 83 TYR HA H 80 4.163 4.294 -0.131 1
1 1056 . 4 1 1 A 83 83 TYR CB C 80 35.602 38.336 -2.734 1
1 1065 . 4 1 1 A 83 83 TYR C C 80 176.904 178.516 -1.612 1
1 1066 . 4 1 1 A 84 84 ARG N N 81 120.833 119.275 1.558 1
1 1067 . 4 1 1 A 84 84 ARG H H 81 7.898 8.341 -0.443 1
1 1068 . 4 1 1 A 84 84 ARG CA C 81 58.332 59.331 -0.999 1
1 1069 . 4 1 1 A 84 84 ARG HA H 81 4.615 4.190 0.425 1
1 1070 . 4 1 1 A 84 84 ARG CB C 81 28.242 29.955 -1.713 1
1 1071 . 4 1 1 A 84 84 ARG C C 81 176.940 179.264 -2.324 1
1 1072 . 4 1 1 A 85 85 VAL N N 82 117.345 120.321 -2.976 1
1 1073 . 4 1 1 A 85 85 VAL H H 82 6.971 8.037 -1.066 1
1 1074 . 4 1 1 A 85 85 VAL CA C 82 65.663 66.658 -0.995 1
1 1075 . 4 1 1 A 85 85 VAL HA H 82 3.417 3.559 -0.142 1
1 1076 . 4 1 1 A 85 85 VAL CB C 82 31.165 31.646 -0.481 1
1 1085 . 4 1 1 A 85 85 VAL C C 82 176.601 177.821 -1.220 1
1 1086 . 4 1 1 A 86 86 GLN N N 83 117.137 120.421 -3.284 1
1 1087 . 4 1 1 A 86 86 GLN H H 83 7.536 8.435 -0.899 1
1 1088 . 4 1 1 A 86 86 GLN CA C 83 58.230 58.332 -0.102 1
1 1089 . 4 1 1 A 86 86 GLN HA H 83 3.953 4.133 -0.180 1
1 1090 . 4 1 1 A 86 86 GLN CB C 83 28.240 28.951 -0.711 1
1 1099 . 4 1 1 A 86 86 GLN C C 83 178.602 178.173 0.429 1
1 1100 . 4 1 1 A 87 87 ALA N N 84 121.452 122.328 -0.876 1
1 1101 . 4 1 1 A 87 87 ALA H H 84 8.843 7.950 0.893 1
1 1102 . 4 1 1 A 87 87 ALA CA C 84 54.905 55.248 -0.343 1
1 1103 . 4 1 1 A 87 87 ALA HA H 84 4.048 4.184 -0.136 1
1 1107 . 4 1 1 A 87 87 ALA CB C 84 18.088 18.736 -0.648 1
1 1108 . 4 1 1 A 87 87 ALA C C 84 178.498 180.105 -1.607 1
1 1109 . 4 1 1 A 88 88 VAL N N 85 117.570 118.378 -0.808 1
1 1110 . 4 1 1 A 88 88 VAL H H 85 8.515 8.257 0.258 1
1 1111 . 4 1 1 A 88 88 VAL CA C 85 67.315 66.719 0.596 1
1 1112 . 4 1 1 A 88 88 VAL HA H 85 3.764 3.476 0.288 1
1 1113 . 4 1 1 A 88 88 VAL CB C 85 30.610 31.674 -1.064 1
1 1123 . 4 1 1 A 88 88 VAL C C 85 177.138 177.785 -0.647 1
1 1124 . 4 1 1 A 89 89 LYS N N 86 120.005 120.511 -0.506 1
1 1125 . 4 1 1 A 89 89 LYS H H 86 8.612 8.533 0.079 1
1 1126 . 4 1 1 A 89 89 LYS CA C 86 60.851 59.620 1.231 1
1 1127 . 4 1 1 A 89 89 LYS HA H 86 3.827 4.004 -0.177 1
1 1128 . 4 1 1 A 89 89 LYS CB C 86 31.974 32.194 -0.220 1
1 1140 . 4 1 1 A 89 89 LYS C C 86 178.096 178.639 -0.543 1
1 1141 . 4 1 1 A 90 90 PHE N N 87 119.839 120.434 -0.595 1
1 1142 . 4 1 1 A 90 90 PHE H H 87 8.184 8.249 -0.065 1
1 1143 . 4 1 1 A 90 90 PHE CA C 87 60.604 61.178 -0.574 1
1 1144 . 4 1 1 A 90 90 PHE HA H 87 4.302 4.201 0.101 1
1 1145 . 4 1 1 A 90 90 PHE CB C 87 38.349 39.289 -0.940 1
1 1154 . 4 1 1 A 90 90 PHE C C 87 177.748 177.775 -0.027 1
1 1155 . 4 1 1 A 91 91 LEU N N 88 118.977 119.594 -0.617 1
1 1156 . 4 1 1 A 91 91 LEU H H 88 8.604 8.689 -0.085 1
1 1157 . 4 1 1 A 91 91 LEU CA C 88 58.058 58.474 -0.416 1
1 1158 . 4 1 1 A 91 91 LEU HA H 88 3.975 3.907 0.068 1
1 1159 . 4 1 1 A 91 91 LEU CB C 88 41.114 41.953 -0.839 1
1 1169 . 4 1 1 A 91 91 LEU C C 88 178.106 179.149 -1.043 1
1 1170 . 4 1 1 A 92 92 ILE N N 89 118.378 118.859 -0.481 1
1 1171 . 4 1 1 A 92 92 ILE H H 89 8.420 8.526 -0.106 1
1 1172 . 4 1 1 A 92 92 ILE CA C 89 65.761 65.502 0.259 1
1 1173 . 4 1 1 A 92 92 ILE HA H 89 3.542 3.538 0.004 1
1 1174 . 4 1 1 A 92 92 ILE CB C 89 37.372 37.991 -0.619 1
1 1184 . 4 1 1 A 92 92 ILE C C 89 176.952 178.243 -1.291 1
1 1185 . 4 1 1 A 93 93 GLU N N 90 120.262 121.056 -0.794 1
1 1186 . 4 1 1 A 93 93 GLU H H 90 8.133 8.225 -0.092 1
1 1187 . 4 1 1 A 93 93 GLU CA C 90 58.766 60.009 -1.243 1
1 1188 . 4 1 1 A 93 93 GLU HA H 90 4.038 3.953 0.085 1
1 1189 . 4 1 1 A 93 93 GLU CB C 90 28.466 29.068 -0.602 1
1 1195 . 4 1 1 A 93 93 GLU C C 90 178.689 178.795 -0.106 1
1 1196 . 4 1 1 A 94 94 ARG N N 91 117.630 118.378 -0.748 1
1 1197 . 4 1 1 A 94 94 ARG H H 91 7.952 8.010 -0.058 1
1 1198 . 4 1 1 A 94 94 ARG CA C 91 58.343 59.048 -0.705 1
1 1199 . 4 1 1 A 94 94 ARG HA H 91 3.941 4.074 -0.133 1
1 1200 . 4 1 1 A 94 94 ARG CB C 91 29.048 29.934 -0.886 1
1 1215 . 4 1 1 A 94 94 ARG C C 91 178.875 178.535 0.340 1
1 1216 . 4 1 1 A 95 95 ILE N N 92 120.056 120.447 -0.391 1
1 1217 . 4 1 1 A 95 95 ILE H H 92 8.225 8.188 0.037 1
1 1218 . 4 1 1 A 95 95 ILE CA C 92 63.296 65.362 -2.066 1
1 1219 . 4 1 1 A 95 95 ILE HA H 92 3.972 3.675 0.297 1
1 1220 . 4 1 1 A 95 95 ILE CB C 92 36.921 37.964 -1.043 1
1 1233 . 4 1 1 A 95 95 ILE C C 92 180.242 178.377 1.865 1
1 1234 . 4 1 1 A 96 96 ARG N N 93 121.023 120.380 0.643 1
1 1235 . 4 1 1 A 96 96 ARG H H 93 8.259 8.603 -0.344 1
1 1236 . 4 1 1 A 96 96 ARG CA C 93 58.401 57.606 0.795 1
1 1237 . 4 1 1 A 96 96 ARG HA H 93 4.068 4.168 -0.100 1
1 1238 . 4 1 1 A 96 96 ARG CB C 93 29.474 28.897 0.577 1
1 1254 . 4 1 1 A 96 96 ARG C C 93 177.500 177.356 0.144 1
1 1255 . 4 1 1 A 97 97 LYS N N 94 116.750 117.906 -1.156 1
1 1256 . 4 1 1 A 97 97 LYS H H 94 7.527 7.519 0.008 1
1 1257 . 4 1 1 A 97 97 LYS CA C 94 55.282 55.940 -0.658 1
1 1258 . 4 1 1 A 97 97 LYS HA H 94 4.274 4.349 -0.075 1
1 1259 . 4 1 1 A 97 97 LYS CB C 94 32.112 33.446 -1.334 1
1 1271 . 4 1 1 A 97 97 LYS C C 94 174.901 175.895 -0.994 1
1 1272 . 4 1 1 A 98 98 ASN N N 95 116.979 117.369 -0.390 1
1 1273 . 4 1 1 A 98 98 ASN H H 95 8.150 8.080 0.070 1
1 1274 . 4 1 1 A 98 98 ASN CA C 95 53.822 53.928 -0.106 1
1 1275 . 4 1 1 A 98 98 ASN HA H 95 4.370 4.339 0.031 1
1 1276 . 4 1 1 A 98 98 ASN CB C 95 36.674 37.012 -0.338 1
1 1282 . 4 1 1 A 98 98 ASN C C 95 173.779 174.100 -0.321 1
1 1283 . 4 1 1 A 99 99 GLU N N 96 118.529 115.224 3.305 1
1 1284 . 4 1 1 A 99 99 GLU H H 96 8.236 7.288 0.948 1
1 1285 . 4 1 1 A 99 99 GLU CA C 96 52.891 54.094 -1.203 1
1 1286 . 4 1 1 A 99 99 GLU HA H 96 4.673 4.885 -0.212 1
1 1287 . 4 1 1 A 99 99 GLU CB C 96 30.358 32.142 -1.784 1
1 1292 . 4 1 1 A 100 100 PRO CA C 97 62.037 62.848 -0.811 1
1 1293 . 4 1 1 A 100 100 PRO HA H 97 4.272 4.607 -0.335 1
1 1294 . 4 1 1 A 100 100 PRO CB C 97 31.609 32.009 -0.400 1
1 1302 . 4 1 1 A 100 100 PRO C C 97 176.184 177.105 -0.921 1
1 1303 . 4 1 1 A 101 101 LEU N N 98 122.794 123.654 -0.860 1
1 1304 . 4 1 1 A 101 101 LEU H H 98 8.832 8.431 0.401 1
1 1305 . 4 1 1 A 101 101 LEU CA C 98 52.524 53.176 -0.652 1
1 1306 . 4 1 1 A 101 101 LEU HA H 98 4.654 4.632 0.022 1
1 1307 . 4 1 1 A 101 101 LEU CB C 98 40.422 41.210 -0.788 1
1 1321 . 4 1 1 A 102 102 PRO CA C 99 61.075 62.204 -1.129 1
1 1322 . 4 1 1 A 102 102 PRO HA H 99 4.629 4.620 0.009 1
1 1323 . 4 1 1 A 102 102 PRO CB C 99 31.778 33.110 -1.332 1
1 1328 . 4 1 1 A 102 102 PRO C C 99 174.604 176.156 -1.552 1
1 1329 . 4 1 1 A 103 103 VAL N N 100 120.834 120.813 0.021 1
1 1330 . 4 1 1 A 103 103 VAL H H 100 8.661 8.539 0.122 1
1 1331 . 4 1 1 A 103 103 VAL CA C 100 62.977 62.665 0.312 1
1 1332 . 4 1 1 A 103 103 VAL HA H 100 3.860 4.177 -0.317 1
1 1333 . 4 1 1 A 103 103 VAL CB C 100 31.731 31.834 -0.103 1
1 1342 . 4 1 1 A 103 103 VAL C C 100 177.396 176.596 0.800 1
1 1343 . 4 1 1 A 104 104 TYR N N 101 129.973 126.639 3.334 1
1 1344 . 4 1 1 A 104 104 TYR H H 101 8.487 9.227 -0.740 1
1 1345 . 4 1 1 A 104 104 TYR CA C 101 62.855 62.232 0.623 1
1 1346 . 4 1 1 A 104 104 TYR HA H 101 3.802 4.097 -0.295 1
1 1347 . 4 1 1 A 104 104 TYR CB C 101 38.429 39.026 -0.597 1
1 1356 . 4 1 1 A 104 104 TYR C C 101 175.877 177.582 -1.705 1
1 1357 . 4 1 1 A 105 105 LYS N N 102 117.165 119.386 -2.221 1
1 1358 . 4 1 1 A 105 105 LYS H H 102 8.848 8.259 0.589 1
1 1359 . 4 1 1 A 105 105 LYS CA C 102 59.343 59.800 -0.457 1
1 1360 . 4 1 1 A 105 105 LYS HA H 102 3.810 3.756 0.054 1
1 1361 . 4 1 1 A 105 105 LYS CB C 102 31.739 32.029 -0.290 1
1 1373 . 4 1 1 A 105 105 LYS C C 102 177.370 178.105 -0.735 1
1 1374 . 4 1 1 A 106 106 ASP N N 103 117.011 120.181 -3.170 1
1 1375 . 4 1 1 A 106 106 ASP H H 103 6.781 8.166 -1.385 1
1 1376 . 4 1 1 A 106 106 ASP CA C 103 56.155 57.680 -1.525 1
1 1377 . 4 1 1 A 106 106 ASP HA H 103 4.454 4.303 0.151 1
1 1378 . 4 1 1 A 106 106 ASP CB C 103 39.467 41.691 -2.224 1
1 1381 . 4 1 1 A 106 106 ASP C C 103 178.180 178.105 0.075 1
1 1382 . 4 1 1 A 107 107 LEU N N 104 124.145 119.854 4.291 1
1 1383 . 4 1 1 A 107 107 LEU H H 104 7.687 8.377 -0.690 1
1 1384 . 4 1 1 A 107 107 LEU CA C 104 56.938 58.160 -1.222 1
1 1385 . 4 1 1 A 107 107 LEU HA H 104 4.000 3.919 0.081 1
1 1386 . 4 1 1 A 107 107 LEU CB C 104 41.707 41.772 -0.065 1
1 1399 . 4 1 1 A 107 107 LEU C C 104 176.403 178.779 -2.376 1
1 1400 . 4 1 1 A 108 108 TRP N N 105 120.039 120.690 -0.651 1
1 1401 . 4 1 1 A 108 108 TRP H H 105 9.072 8.354 0.718 1
1 1402 . 4 1 1 A 108 108 TRP CA C 105 62.392 60.846 1.546 1
1 1403 . 4 1 1 A 108 108 TRP HA H 105 3.547 4.062 -0.515 1
1 1404 . 4 1 1 A 108 108 TRP CB C 105 28.316 29.413 -1.097 1
1 1415 . 4 1 1 A 108 108 TRP C C 105 176.983 178.394 -1.411 1
1 1416 . 4 1 1 A 109 109 ASN N N 106 113.557 117.363 -3.806 1
1 1417 . 4 1 1 A 109 109 ASN H H 106 8.058 8.354 -0.296 1
1 1418 . 4 1 1 A 109 109 ASN CA C 106 55.662 55.959 -0.297 1
1 1419 . 4 1 1 A 109 109 ASN HA H 106 3.994 3.999 -0.005 1
1 1420 . 4 1 1 A 109 109 ASN CB C 106 37.973 37.802 0.171 1
1 1426 . 4 1 1 A 109 109 ASN C C 106 176.928 177.450 -0.522 1
1 1427 . 4 1 1 A 110 110 ALA N N 107 121.997 122.516 -0.519 1
1 1428 . 4 1 1 A 110 110 ALA H H 107 7.718 8.330 -0.612 1
1 1429 . 4 1 1 A 110 110 ALA CA C 107 54.261 55.017 -0.756 1
1 1430 . 4 1 1 A 110 110 ALA HA H 107 3.979 4.043 -0.064 1
1 1434 . 4 1 1 A 110 110 ALA CB C 107 17.322 18.271 -0.949 1
1 1435 . 4 1 1 A 110 110 ALA C C 107 180.452 180.147 0.305 1
1 1436 . 4 1 1 A 111 111 LEU N N 108 119.150 117.814 1.336 1
1 1437 . 4 1 1 A 111 111 LEU H H 108 8.200 8.486 -0.286 1
1 1438 . 4 1 1 A 111 111 LEU CA C 108 56.264 57.460 -1.196 1
1 1439 . 4 1 1 A 111 111 LEU HA H 108 3.857 4.004 -0.147 1
1 1440 . 4 1 1 A 111 111 LEU CB C 108 41.134 41.319 -0.185 1
1 1453 . 4 1 1 A 111 111 LEU C C 108 178.144 179.097 -0.953 1
1 1454 . 4 1 1 A 112 112 ARG N N 109 117.178 118.988 -1.810 1
1 1455 . 4 1 1 A 112 112 ARG H H 109 7.365 8.108 -0.743 1
1 1456 . 4 1 1 A 112 112 ARG CA C 109 56.443 59.632 -3.189 1
1 1457 . 4 1 1 A 112 112 ARG HA H 109 2.642 3.842 -1.200 1
1 1458 . 4 1 1 A 112 112 ARG CB C 109 28.901 29.454 -0.553 1
1 1469 . 4 1 1 A 112 112 ARG C C 109 176.348 178.771 -2.423 1
1 1470 . 4 1 1 A 113 113 LYS N N 110 118.628 119.138 -0.510 1
1 1471 . 4 1 1 A 113 113 LYS H H 110 7.145 7.615 -0.470 1
1 1472 . 4 1 1 A 113 113 LYS CA C 110 56.410 58.173 -1.763 1
1 1473 . 4 1 1 A 113 113 LYS HA H 110 4.018 4.158 -0.140 1
1 1474 . 4 1 1 A 113 113 LYS CB C 110 32.091 32.849 -0.758 1
1 1486 . 4 1 1 A 113 113 LYS C C 110 176.164 177.134 -0.970 1
1 5 . 5 1 1 A 2 2 SER N N -2 115.414 121.080 -5.666 1
1 6 . 5 1 1 A 2 2 SER H H -2 8.737 8.646 0.091 1
1 7 . 5 1 1 A 2 2 SER CA C -2 57.710 59.110 -1.400 1
1 8 . 5 1 1 A 2 2 SER HA H -2 4.446 4.703 -0.257 1
1 9 . 5 1 1 A 2 2 SER CB C -2 63.365 65.836 -2.471 1
1 12 . 5 1 1 A 2 2 SER C C -2 173.826 174.091 -0.265 1
1 40 . 5 1 1 A 5 5 ILE N N 2 122.114 119.892 2.222 1
1 41 . 5 1 1 A 5 5 ILE H H 2 8.292 7.505 0.787 1
1 42 . 5 1 1 A 5 5 ILE CA C 2 60.568 59.577 0.991 1
1 43 . 5 1 1 A 5 5 ILE HA H 2 4.102 4.834 -0.732 1
1 44 . 5 1 1 A 5 5 ILE CB C 2 38.417 41.977 -3.560 1
1 57 . 5 1 1 A 5 5 ILE C C 2 174.970 174.286 0.684 1
1 58 . 5 1 1 A 6 6 ASN N N 3 122.794 120.813 1.981 1
1 59 . 5 1 1 A 6 6 ASN H H 3 8.636 8.753 -0.117 1
1 60 . 5 1 1 A 6 6 ASN CA C 3 52.274 53.273 -0.999 1
1 61 . 5 1 1 A 6 6 ASN HA H 3 4.712 5.190 -0.478 1
1 62 . 5 1 1 A 6 6 ASN CB C 3 38.194 42.422 -4.228 1
1 68 . 5 1 1 A 6 6 ASN C C 3 174.766 175.143 -0.377 1
1 69 . 5 1 1 A 7 7 LEU N N 4 123.220 124.513 -1.293 1
1 70 . 5 1 1 A 7 7 LEU H H 4 8.484 8.850 -0.366 1
1 71 . 5 1 1 A 7 7 LEU CA C 4 55.359 58.252 -2.893 1
1 72 . 5 1 1 A 7 7 LEU HA H 4 4.197 4.131 0.066 1
1 73 . 5 1 1 A 7 7 LEU CB C 4 41.461 41.711 -0.250 1
1 86 . 5 1 1 A 7 7 LEU C C 4 177.248 178.663 -1.415 1
1 87 . 5 1 1 A 8 8 GLU N N 5 119.354 118.430 0.924 1
1 88 . 5 1 1 A 8 8 GLU H H 5 8.455 7.583 0.872 1
1 89 . 5 1 1 A 8 8 GLU CA C 5 56.589 58.207 -1.618 1
1 90 . 5 1 1 A 8 8 GLU HA H 5 4.091 4.292 -0.201 1
1 91 . 5 1 1 A 8 8 GLU CB C 5 29.275 29.497 -0.222 1
1 97 . 5 1 1 A 8 8 GLU C C 5 175.981 176.803 -0.822 1
1 98 . 5 1 1 A 9 9 ASP N N 6 119.780 121.521 -1.741 1
1 99 . 5 1 1 A 9 9 ASP H H 6 8.136 8.442 -0.306 1
1 100 . 5 1 1 A 9 9 ASP CA C 6 53.931 53.392 0.539 1
1 101 . 5 1 1 A 9 9 ASP HA H 6 4.492 4.966 -0.474 1
1 102 . 5 1 1 A 9 9 ASP CB C 6 40.360 41.892 -1.532 1
1 105 . 5 1 1 A 9 9 ASP C C 6 175.397 175.745 -0.348 1
1 106 . 5 1 1 A 10 10 TYR N N 7 119.939 120.037 -0.098 1
1 107 . 5 1 1 A 10 10 TYR H H 7 7.902 7.791 0.111 1
1 108 . 5 1 1 A 10 10 TYR CA C 7 57.667 57.185 0.482 1
1 109 . 5 1 1 A 10 10 TYR HA H 7 4.431 4.800 -0.369 1
1 110 . 5 1 1 A 10 10 TYR CB C 7 38.236 39.553 -1.317 1
1 119 . 5 1 1 A 10 10 TYR C C 7 174.898 175.675 -0.777 1
1 120 . 5 1 1 A 11 11 TRP N N 8 122.648 121.126 1.522 1
1 121 . 5 1 1 A 11 11 TRP H H 8 7.917 7.704 0.213 1
1 122 . 5 1 1 A 11 11 TRP CA C 8 56.562 58.350 -1.788 1
1 123 . 5 1 1 A 11 11 TRP HA H 8 4.578 4.577 0.001 1
1 124 . 5 1 1 A 11 11 TRP CB C 8 29.293 30.449 -1.156 1
1 139 . 5 1 1 A 11 11 TRP C C 8 175.212 175.546 -0.334 1
1 140 . 5 1 1 A 12 12 GLU N N 9 122.189 117.528 4.661 1
1 141 . 5 1 1 A 12 12 GLU H H 9 8.030 8.007 0.023 1
1 142 . 5 1 1 A 12 12 GLU CA C 9 55.743 56.967 -1.224 1
1 143 . 5 1 1 A 12 12 GLU HA H 9 4.137 4.117 0.020 1
1 144 . 5 1 1 A 12 12 GLU CB C 9 30.001 28.284 1.717 1
1 150 . 5 1 1 A 12 12 GLU C C 9 175.138 176.308 -1.170 1
1 151 . 5 1 1 A 13 13 ASP N N 10 121.099 123.054 -1.955 1
1 152 . 5 1 1 A 13 13 ASP H H 10 8.253 8.745 -0.492 1
1 153 . 5 1 1 A 13 13 ASP CA C 10 53.843 54.184 -0.341 1
1 154 . 5 1 1 A 13 13 ASP HA H 10 4.500 4.985 -0.485 1
1 155 . 5 1 1 A 13 13 ASP CB C 10 40.715 42.333 -1.618 1
1 158 . 5 1 1 A 13 13 ASP C C 10 175.700 175.540 0.160 1
1 159 . 5 1 1 A 14 14 GLU N N 11 121.240 120.639 0.601 1
1 160 . 5 1 1 A 14 14 GLU H H 11 8.435 7.879 0.556 1
1 161 . 5 1 1 A 14 14 GLU CA C 11 55.858 55.914 -0.056 1
1 162 . 5 1 1 A 14 14 GLU HA H 11 4.289 4.511 -0.222 1
1 163 . 5 1 1 A 14 14 GLU CB C 11 29.758 30.410 -0.652 1
1 169 . 5 1 1 A 14 14 GLU C C 11 176.002 175.236 0.766 1
1 170 . 5 1 1 A 15 15 THR N N 12 118.367 116.605 1.762 1
1 171 . 5 1 1 A 15 15 THR H H 12 8.407 7.710 0.697 1
1 172 . 5 1 1 A 15 15 THR CA C 12 59.646 57.666 1.980 1
1 173 . 5 1 1 A 15 15 THR HA H 12 4.503 4.884 -0.381 1
1 174 . 5 1 1 A 15 15 THR CB C 12 69.084 71.147 -2.063 1
1 181 . 5 1 1 A 16 16 PRO CA C 13 62.791 62.253 0.538 1
1 182 . 5 1 1 A 16 16 PRO HA H 13 4.408 4.606 -0.198 1
1 183 . 5 1 1 A 16 16 PRO CB C 13 31.771 33.361 -1.590 1
1 191 . 5 1 1 A 16 16 PRO C C 13 176.689 175.808 0.881 1
1 192 . 5 1 1 A 17 17 GLY N N 14 109.540 106.302 3.238 1
1 193 . 5 1 1 A 17 17 GLY H H 14 8.423 8.344 0.079 1
1 194 . 5 1 1 A 17 17 GLY CA C 14 44.219 45.818 -1.599 1
1 195 . 5 1 1 A 17 17 GLY HA2 H 14 4.010 4.407 -0.397 1
1 196 . 5 1 1 A 17 17 GLY HA3 H 14 4.159 4.411 -0.252 1
1 198 . 5 1 1 A 18 18 PRO CA C 15 62.843 62.817 0.026 1
1 199 . 5 1 1 A 18 18 PRO HA H 15 4.412 4.724 -0.312 1
1 200 . 5 1 1 A 18 18 PRO CB C 15 31.667 32.840 -1.173 1
1 208 . 5 1 1 A 18 18 PRO C C 15 176.447 175.680 0.767 1
1 209 . 5 1 1 A 19 19 ASP N N 16 119.197 121.645 -2.448 1
1 210 . 5 1 1 A 19 19 ASP H H 16 8.517 8.723 -0.206 1
1 211 . 5 1 1 A 19 19 ASP CA C 16 53.940 53.774 0.166 1
1 212 . 5 1 1 A 19 19 ASP HA H 16 4.559 4.890 -0.331 1
1 213 . 5 1 1 A 19 19 ASP CB C 16 40.180 42.585 -2.405 1
1 216 . 5 1 1 A 19 19 ASP C C 16 175.764 175.655 0.109 1
1 217 . 5 1 1 A 20 20 ARG N N 17 120.435 119.304 1.131 1
1 218 . 5 1 1 A 20 20 ARG H H 17 8.201 7.902 0.299 1
1 219 . 5 1 1 A 20 20 ARG CA C 17 55.216 57.176 -1.960 1
1 220 . 5 1 1 A 20 20 ARG HA H 17 4.356 4.572 -0.216 1
1 221 . 5 1 1 A 20 20 ARG CB C 17 30.184 33.232 -3.048 1
1 237 . 5 1 1 A 20 20 ARG C C 17 175.724 175.347 0.377 1
1 238 . 5 1 1 A 21 21 GLU N N 18 122.477 115.750 6.727 1
1 239 . 5 1 1 A 21 21 GLU H H 18 8.371 7.641 0.730 1
1 240 . 5 1 1 A 21 21 GLU CA C 18 53.658 55.492 -1.834 1
1 241 . 5 1 1 A 21 21 GLU HA H 18 4.657 4.494 0.163 1
1 242 . 5 1 1 A 21 21 GLU CB C 18 28.984 30.126 -1.142 1
1 249 . 5 1 1 A 22 22 PRO CA C 19 62.442 62.577 -0.135 1
1 250 . 5 1 1 A 22 22 PRO HA H 19 4.516 4.755 -0.239 1
1 251 . 5 1 1 A 22 22 PRO CB C 19 31.903 33.180 -1.277 1
1 259 . 5 1 1 A 22 22 PRO C C 19 176.323 175.776 0.547 1
1 260 . 5 1 1 A 23 23 THR N N 20 112.531 115.681 -3.150 1
1 261 . 5 1 1 A 23 23 THR H H 20 7.946 8.468 -0.522 1
1 262 . 5 1 1 A 23 23 THR CA C 20 60.521 60.673 -0.152 1
1 263 . 5 1 1 A 23 23 THR HA H 20 4.373 4.765 -0.392 1
1 264 . 5 1 1 A 23 23 THR CB C 20 70.238 72.298 -2.060 1
1 270 . 5 1 1 A 23 23 THR C C 20 174.678 174.711 -0.033 1
1 271 . 5 1 1 A 24 24 ASN N N 21 120.631 123.504 -2.873 1
1 272 . 5 1 1 A 24 24 ASN H H 21 8.958 9.207 -0.249 1
1 273 . 5 1 1 A 24 24 ASN CA C 21 54.854 57.248 -2.394 1
1 274 . 5 1 1 A 24 24 ASN HA H 21 4.467 4.376 0.091 1
1 275 . 5 1 1 A 24 24 ASN CB C 21 37.535 37.790 -0.255 1
1 281 . 5 1 1 A 24 24 ASN C C 21 176.397 177.694 -1.297 1
1 282 . 5 1 1 A 25 25 GLU N N 22 120.237 118.975 1.262 1
1 283 . 5 1 1 A 25 25 GLU H H 22 8.644 8.271 0.373 1
1 284 . 5 1 1 A 25 25 GLU CA C 22 59.195 59.039 0.156 1
1 285 . 5 1 1 A 25 25 GLU HA H 22 4.076 4.138 -0.062 1
1 286 . 5 1 1 A 25 25 GLU CB C 22 28.567 29.393 -0.826 1
1 292 . 5 1 1 A 25 25 GLU C C 22 177.942 178.747 -0.805 1
1 293 . 5 1 1 A 26 26 LEU N N 23 122.376 121.379 0.997 1
1 294 . 5 1 1 A 26 26 LEU H H 23 8.109 8.004 0.105 1
1 295 . 5 1 1 A 26 26 LEU CA C 23 56.940 58.141 -1.201 1
1 296 . 5 1 1 A 26 26 LEU HA H 23 4.247 4.000 0.247 1
1 297 . 5 1 1 A 26 26 LEU CB C 23 40.425 41.829 -1.404 1
1 310 . 5 1 1 A 26 26 LEU C C 23 178.298 178.303 -0.005 1
1 311 . 5 1 1 A 27 27 ARG N N 24 118.606 118.196 0.410 1
1 312 . 5 1 1 A 27 27 ARG H H 24 8.225 8.230 -0.005 1
1 313 . 5 1 1 A 27 27 ARG CA C 24 59.892 58.899 0.993 1
1 314 . 5 1 1 A 27 27 ARG HA H 24 3.875 4.034 -0.159 1
1 315 . 5 1 1 A 27 27 ARG CB C 24 28.853 29.664 -0.811 1
1 331 . 5 1 1 A 27 27 ARG C C 24 178.374 178.524 -0.150 1
1 332 . 5 1 1 A 28 28 ASN N N 25 117.812 118.544 -0.732 1
1 333 . 5 1 1 A 28 28 ASN H H 25 8.146 8.221 -0.075 1
1 334 . 5 1 1 A 28 28 ASN CA C 25 55.753 56.372 -0.619 1
1 335 . 5 1 1 A 28 28 ASN HA H 25 4.452 4.444 0.008 1
1 336 . 5 1 1 A 28 28 ASN CB C 25 37.388 38.864 -1.476 1
1 342 . 5 1 1 A 28 28 ASN C C 25 177.043 178.016 -0.973 1
1 343 . 5 1 1 A 29 29 GLU N N 26 121.177 117.883 3.294 1
1 344 . 5 1 1 A 29 29 GLU H H 26 8.247 8.585 -0.338 1
1 345 . 5 1 1 A 29 29 GLU CA C 26 58.897 59.109 -0.212 1
1 346 . 5 1 1 A 29 29 GLU HA H 26 4.075 4.099 -0.024 1
1 347 . 5 1 1 A 29 29 GLU CB C 26 29.202 29.547 -0.345 1
1 353 . 5 1 1 A 29 29 GLU C C 26 180.215 179.569 0.646 1
1 354 . 5 1 1 A 30 30 VAL N N 27 123.509 121.353 2.156 1
1 355 . 5 1 1 A 30 30 VAL H H 27 8.793 7.863 0.930 1
1 356 . 5 1 1 A 30 30 VAL CA C 27 68.051 66.621 1.430 1
1 357 . 5 1 1 A 30 30 VAL HA H 27 3.413 3.537 -0.124 1
1 358 . 5 1 1 A 30 30 VAL CB C 27 31.196 31.726 -0.530 1
1 368 . 5 1 1 A 30 30 VAL C C 27 176.589 177.695 -1.106 1
1 369 . 5 1 1 A 31 31 GLU N N 28 119.159 118.540 0.619 1
1 370 . 5 1 1 A 31 31 GLU H H 28 8.042 8.625 -0.583 1
1 371 . 5 1 1 A 31 31 GLU CA C 28 59.379 59.913 -0.534 1
1 372 . 5 1 1 A 31 31 GLU HA H 28 3.946 3.916 0.030 1
1 373 . 5 1 1 A 31 31 GLU CB C 28 28.603 29.248 -0.645 1
1 379 . 5 1 1 A 31 31 GLU C C 28 179.282 179.174 0.108 1
1 380 . 5 1 1 A 32 32 GLU N N 29 118.871 120.676 -1.805 1
1 381 . 5 1 1 A 32 32 GLU H H 29 8.550 8.158 0.392 1
1 382 . 5 1 1 A 32 32 GLU CA C 29 58.770 59.252 -0.482 1
1 383 . 5 1 1 A 32 32 GLU HA H 29 4.056 4.074 -0.018 1
1 384 . 5 1 1 A 32 32 GLU CB C 29 29.214 29.755 -0.541 1
1 390 . 5 1 1 A 32 32 GLU C C 29 178.791 178.842 -0.051 1
1 391 . 5 1 1 A 33 33 THR N N 30 117.719 116.108 1.611 1
1 392 . 5 1 1 A 33 33 THR H H 30 8.205 8.187 0.018 1
1 393 . 5 1 1 A 33 33 THR CA C 30 67.465 67.323 0.142 1
1 394 . 5 1 1 A 33 33 THR HA H 30 3.816 3.944 -0.128 1
1 395 . 5 1 1 A 33 33 THR CB C 30 66.888 68.792 -1.904 1
1 401 . 5 1 1 A 33 33 THR C C 30 175.681 176.428 -0.747 1
1 402 . 5 1 1 A 34 34 ILE N N 31 123.925 121.349 2.576 1
1 403 . 5 1 1 A 34 34 ILE H H 31 8.698 8.217 0.481 1
1 404 . 5 1 1 A 34 34 ILE CA C 31 66.438 64.795 1.643 1
1 405 . 5 1 1 A 34 34 ILE HA H 31 3.442 3.628 -0.186 1
1 406 . 5 1 1 A 34 34 ILE CB C 31 37.311 37.679 -0.368 1
1 416 . 5 1 1 A 34 34 ILE C C 31 176.731 178.042 -1.311 1
1 417 . 5 1 1 A 35 35 THR N N 32 116.478 118.133 -1.655 1
1 418 . 5 1 1 A 35 35 THR H H 32 7.956 7.968 -0.012 1
1 419 . 5 1 1 A 35 35 THR CA C 32 66.447 67.001 -0.554 1
1 420 . 5 1 1 A 35 35 THR HA H 32 3.929 3.951 -0.022 1
1 421 . 5 1 1 A 35 35 THR CB C 32 67.964 67.949 0.015 1
1 427 . 5 1 1 A 35 35 THR C C 32 176.226 176.338 -0.112 1
1 428 . 5 1 1 A 36 36 LEU N N 33 119.834 120.032 -0.198 1
1 429 . 5 1 1 A 36 36 LEU H H 33 7.663 7.875 -0.212 1
1 430 . 5 1 1 A 36 36 LEU CA C 33 57.274 57.337 -0.063 1
1 431 . 5 1 1 A 36 36 LEU HA H 33 4.075 4.029 0.046 1
1 432 . 5 1 1 A 36 36 LEU CB C 33 42.188 41.724 0.464 1
1 445 . 5 1 1 A 36 36 LEU C C 33 179.412 179.000 0.412 1
1 446 . 5 1 1 A 37 37 MET N N 34 119.993 118.674 1.319 1
1 447 . 5 1 1 A 37 37 MET H H 34 8.509 8.414 0.095 1
1 448 . 5 1 1 A 37 37 MET CA C 34 57.865 58.786 -0.921 1
1 449 . 5 1 1 A 37 37 MET HA H 34 3.865 4.058 -0.193 1
1 450 . 5 1 1 A 37 37 MET CB C 34 28.735 32.982 -4.247 1
1 460 . 5 1 1 A 37 37 MET C C 34 178.772 178.457 0.315 1
1 461 . 5 1 1 A 38 38 GLU N N 35 120.011 120.434 -0.423 1
1 462 . 5 1 1 A 38 38 GLU H H 35 8.321 8.236 0.085 1
1 463 . 5 1 1 A 38 38 GLU CA C 35 58.442 59.027 -0.585 1
1 464 . 5 1 1 A 38 38 GLU HA H 35 3.928 4.067 -0.139 1
1 465 . 5 1 1 A 38 38 GLU CB C 35 28.943 29.606 -0.663 1
1 471 . 5 1 1 A 38 38 GLU C C 35 176.040 177.920 -1.880 1
1 472 . 5 1 1 A 39 39 LEU N N 36 118.349 117.890 0.459 1
1 473 . 5 1 1 A 39 39 LEU H H 36 7.441 7.565 -0.124 1
1 474 . 5 1 1 A 39 39 LEU CA C 36 54.614 54.099 0.515 1
1 475 . 5 1 1 A 39 39 LEU HA H 36 4.393 4.545 -0.152 1
1 476 . 5 1 1 A 39 39 LEU CB C 36 42.210 41.987 0.223 1
1 489 . 5 1 1 A 39 39 LEU C C 36 178.113 176.291 1.822 1
1 490 . 5 1 1 A 40 40 LEU N N 37 118.362 121.725 -3.363 1
1 491 . 5 1 1 A 40 40 LEU H H 37 7.464 7.318 0.146 1
1 492 . 5 1 1 A 40 40 LEU CA C 37 54.659 55.189 -0.530 1
1 493 . 5 1 1 A 40 40 LEU HA H 37 4.400 4.207 0.193 1
1 494 . 5 1 1 A 40 40 LEU CB C 37 40.993 42.254 -1.261 1
1 507 . 5 1 1 A 40 40 LEU C C 37 177.827 175.937 1.890 1
1 508 . 5 1 1 A 41 41 LYS N N 38 120.851 119.914 0.937 1
1 509 . 5 1 1 A 41 41 LYS H H 38 9.254 8.396 0.858 1
1 510 . 5 1 1 A 41 41 LYS CA C 38 54.727 54.023 0.704 1
1 511 . 5 1 1 A 41 41 LYS HA H 38 4.572 4.921 -0.349 1
1 512 . 5 1 1 A 41 41 LYS CB C 38 33.768 35.166 -1.398 1
1 524 . 5 1 1 A 41 41 LYS C C 38 177.911 177.225 0.686 1
1 525 . 5 1 1 A 42 42 VAL N N 39 122.215 118.141 4.074 1
1 526 . 5 1 1 A 42 42 VAL H H 39 9.039 8.709 0.330 1
1 527 . 5 1 1 A 42 42 VAL CA C 39 67.408 65.204 2.204 1
1 528 . 5 1 1 A 42 42 VAL HA H 39 3.699 3.742 -0.043 1
1 529 . 5 1 1 A 42 42 VAL CB C 39 31.056 31.659 -0.603 1
1 539 . 5 1 1 A 42 42 VAL C C 39 176.560 178.136 -1.576 1
1 540 . 5 1 1 A 43 43 SER N N 40 114.377 117.152 -2.775 1
1 541 . 5 1 1 A 43 43 SER H H 40 8.686 7.999 0.687 1
1 542 . 5 1 1 A 43 43 SER CA C 40 61.144 61.522 -0.378 1
1 543 . 5 1 1 A 43 43 SER HA H 40 3.933 4.090 -0.157 1
1 544 . 5 1 1 A 43 43 SER CB C 40 60.933 62.971 -2.038 1
1 547 . 5 1 1 A 43 43 SER C C 40 175.910 177.374 -1.464 1
1 548 . 5 1 1 A 44 44 GLU N N 41 122.833 121.493 1.340 1
1 549 . 5 1 1 A 44 44 GLU H H 41 6.661 7.767 -1.106 1
1 550 . 5 1 1 A 44 44 GLU CA C 41 57.315 59.094 -1.779 1
1 551 . 5 1 1 A 44 44 GLU HA H 41 4.363 4.027 0.336 1
1 552 . 5 1 1 A 44 44 GLU CB C 41 30.399 29.947 0.452 1
1 558 . 5 1 1 A 44 44 GLU C C 41 178.185 179.423 -1.238 1
1 559 . 5 1 1 A 45 45 LEU N N 42 119.110 120.384 -1.274 1
1 560 . 5 1 1 A 45 45 LEU H H 42 8.393 8.737 -0.344 1
1 561 . 5 1 1 A 45 45 LEU CA C 42 57.359 57.701 -0.342 1
1 562 . 5 1 1 A 45 45 LEU HA H 42 3.918 3.914 0.004 1
1 563 . 5 1 1 A 45 45 LEU CB C 42 42.476 41.546 0.930 1
1 576 . 5 1 1 A 45 45 LEU C C 42 179.735 178.916 0.819 1
1 577 . 5 1 1 A 46 46 LYS N N 43 118.025 119.586 -1.561 1
1 578 . 5 1 1 A 46 46 LYS H H 43 8.596 8.147 0.449 1
1 579 . 5 1 1 A 46 46 LYS CA C 43 60.844 59.690 1.154 1
1 580 . 5 1 1 A 46 46 LYS HA H 43 3.816 3.935 -0.119 1
1 581 . 5 1 1 A 46 46 LYS CB C 43 31.918 32.229 -0.311 1
1 593 . 5 1 1 A 46 46 LYS C C 43 177.672 178.487 -0.815 1
1 594 . 5 1 1 A 47 47 ASP N N 44 119.267 119.417 -0.150 1
1 595 . 5 1 1 A 47 47 ASP H H 44 7.448 8.133 -0.685 1
1 596 . 5 1 1 A 47 47 ASP CA C 44 57.422 57.364 0.058 1
1 597 . 5 1 1 A 47 47 ASP HA H 44 4.555 4.342 0.213 1
1 598 . 5 1 1 A 47 47 ASP CB C 44 39.264 40.781 -1.517 1
1 601 . 5 1 1 A 47 47 ASP C C 44 179.284 178.930 0.354 1
1 602 . 5 1 1 A 48 48 ILE N N 45 120.817 119.064 1.753 1
1 603 . 5 1 1 A 48 48 ILE H H 45 7.871 8.073 -0.202 1
1 604 . 5 1 1 A 48 48 ILE CA C 45 64.604 65.340 -0.736 1
1 605 . 5 1 1 A 48 48 ILE HA H 45 3.653 3.510 0.143 1
1 606 . 5 1 1 A 48 48 ILE CB C 45 36.293 38.169 -1.876 1
1 619 . 5 1 1 A 48 48 ILE C C 45 177.180 177.457 -0.277 1
1 620 . 5 1 1 A 49 49 CYS N N 46 117.775 119.620 -1.845 1
1 621 . 5 1 1 A 49 49 CYS H H 46 8.543 8.218 0.325 1
1 622 . 5 1 1 A 49 49 CYS CA C 46 64.971 63.364 1.607 1
1 623 . 5 1 1 A 49 49 CYS HA H 46 3.852 3.915 -0.063 1
1 624 . 5 1 1 A 49 49 CYS CB C 46 25.872 27.003 -1.131 1
1 627 . 5 1 1 A 49 49 CYS C C 46 176.288 177.115 -0.827 1
1 628 . 5 1 1 A 50 50 ARG N N 47 118.702 122.902 -4.200 1
1 629 . 5 1 1 A 50 50 ARG H H 47 8.626 8.021 0.605 1
1 630 . 5 1 1 A 50 50 ARG CA C 47 58.983 59.160 -0.177 1
1 631 . 5 1 1 A 50 50 ARG HA H 47 4.058 4.078 -0.020 1
1 632 . 5 1 1 A 50 50 ARG CB C 47 29.512 30.228 -0.716 1
1 648 . 5 1 1 A 50 50 ARG C C 47 179.270 177.973 1.297 1
1 649 . 5 1 1 A 51 51 SER N N 48 114.502 114.378 0.124 1
1 650 . 5 1 1 A 51 51 SER H H 48 7.514 7.864 -0.350 1
1 651 . 5 1 1 A 51 51 SER CA C 48 61.745 61.743 0.002 1
1 652 . 5 1 1 A 51 51 SER HA H 48 4.308 4.233 0.075 1
1 653 . 5 1 1 A 51 51 SER CB C 48 62.780 63.360 -0.580 1
1 656 . 5 1 1 A 51 51 SER C C 48 176.764 177.349 -0.585 1
1 657 . 5 1 1 A 52 52 VAL N N 49 113.832 120.598 -6.766 1
1 658 . 5 1 1 A 52 52 VAL H H 49 7.511 7.911 -0.400 1
1 659 . 5 1 1 A 52 52 VAL CA C 49 60.751 63.766 -3.015 1
1 660 . 5 1 1 A 52 52 VAL HA H 49 3.760 3.338 0.422 1
1 661 . 5 1 1 A 52 52 VAL CB C 49 30.719 31.216 -0.497 1
1 671 . 5 1 1 A 52 52 VAL C C 49 173.462 174.951 -1.489 1
1 672 . 5 1 1 A 53 53 SER N N 50 112.698 115.030 -2.332 1
1 673 . 5 1 1 A 53 53 SER H H 50 7.653 7.855 -0.202 1
1 674 . 5 1 1 A 53 53 SER CA C 50 59.025 59.728 -0.703 1
1 675 . 5 1 1 A 53 53 SER HA H 50 3.911 4.112 -0.201 1
1 676 . 5 1 1 A 53 53 SER CB C 50 60.895 61.236 -0.341 1
1 679 . 5 1 1 A 53 53 SER C C 50 174.065 173.553 0.512 1
1 680 . 5 1 1 A 54 54 PHE N N 51 120.132 120.389 -0.257 1
1 681 . 5 1 1 A 54 54 PHE H H 51 8.332 7.780 0.552 1
1 682 . 5 1 1 A 54 54 PHE CA C 51 51.743 56.413 -4.670 1
1 683 . 5 1 1 A 54 54 PHE HA H 51 5.171 4.529 0.642 1
1 684 . 5 1 1 A 54 54 PHE CB C 51 37.762 39.047 -1.285 1
1 696 . 5 1 1 A 55 55 PRO CA C 52 62.176 62.685 -0.509 1
1 697 . 5 1 1 A 55 55 PRO HA H 52 4.417 4.665 -0.248 1
1 698 . 5 1 1 A 55 55 PRO CB C 52 31.347 31.705 -0.358 1
1 706 . 5 1 1 A 55 55 PRO C C 52 176.296 176.821 -0.525 1
1 707 . 5 1 1 A 56 56 VAL N N 53 109.933 125.048 -15.115 1
1 708 . 5 1 1 A 56 56 VAL H H 53 7.986 8.644 -0.658 1
1 709 . 5 1 1 A 56 56 VAL CA C 53 59.863 62.046 -2.183 1
1 710 . 5 1 1 A 56 56 VAL HA H 53 4.404 4.421 -0.017 1
1 711 . 5 1 1 A 56 56 VAL CB C 53 31.483 32.196 -0.713 1
1 721 . 5 1 1 A 56 56 VAL C C 53 175.074 176.590 -1.516 1
1 722 . 5 1 1 A 57 57 SER N N 54 114.614 118.043 -3.429 1
1 723 . 5 1 1 A 57 57 SER H H 54 7.304 7.887 -0.583 1
1 724 . 5 1 1 A 57 57 SER CA C 54 57.295 58.061 -0.766 1
1 725 . 5 1 1 A 57 57 SER HA H 54 4.363 4.773 -0.410 1
1 726 . 5 1 1 A 57 57 SER CB C 54 63.351 63.628 -0.277 1
1 729 . 5 1 1 A 57 57 SER C C 54 174.225 174.773 -0.548 1
1 730 . 5 1 1 A 58 58 GLY N N 55 110.300 109.674 0.626 1
1 731 . 5 1 1 A 58 58 GLY H H 55 8.545 8.060 0.485 1
1 732 . 5 1 1 A 58 58 GLY CA C 55 43.806 46.444 -2.638 1
1 733 . 5 1 1 A 58 58 GLY HA2 H 55 4.009 3.834 0.175 1
1 734 . 5 1 1 A 58 58 GLY HA3 H 55 3.715 3.835 -0.120 1
1 735 . 5 1 1 A 58 58 GLY C C 55 172.483 174.124 -1.641 1
1 736 . 5 1 1 A 59 59 ARG N N 56 116.392 118.059 -1.667 1
1 737 . 5 1 1 A 59 59 ARG H H 56 7.913 7.566 0.347 1
1 738 . 5 1 1 A 59 59 ARG CA C 56 54.769 55.505 -0.736 1
1 739 . 5 1 1 A 59 59 ARG HA H 56 4.371 4.665 -0.294 1
1 740 . 5 1 1 A 59 59 ARG CB C 56 30.447 33.645 -3.198 1
1 752 . 5 1 1 A 59 59 ARG C C 56 176.019 175.523 0.496 1
1 753 . 5 1 1 A 60 60 LYS N N 57 122.009 125.039 -3.030 1
1 754 . 5 1 1 A 60 60 LYS H H 57 8.811 9.094 -0.283 1
1 755 . 5 1 1 A 60 60 LYS CA C 57 61.236 60.243 0.993 1
1 756 . 5 1 1 A 60 60 LYS HA H 57 3.606 3.921 -0.315 1
1 757 . 5 1 1 A 60 60 LYS CB C 57 32.419 32.214 0.205 1
1 769 . 5 1 1 A 60 60 LYS C C 57 176.824 178.512 -1.688 1
1 770 . 5 1 1 A 61 61 ALA N N 58 116.880 122.221 -5.341 1
1 771 . 5 1 1 A 61 61 ALA H H 58 8.794 8.021 0.773 1
1 772 . 5 1 1 A 61 61 ALA CA C 58 54.617 55.194 -0.577 1
1 773 . 5 1 1 A 61 61 ALA HA H 58 4.129 4.007 0.122 1
1 777 . 5 1 1 A 61 61 ALA CB C 58 18.103 18.308 -0.205 1
1 778 . 5 1 1 A 61 61 ALA C C 58 179.574 180.458 -0.884 1
1 779 . 5 1 1 A 62 62 VAL N N 59 117.408 118.362 -0.954 1
1 780 . 5 1 1 A 62 62 VAL H H 59 7.047 7.840 -0.793 1
1 781 . 5 1 1 A 62 62 VAL CA C 59 64.864 67.054 -2.190 1
1 782 . 5 1 1 A 62 62 VAL HA H 59 3.701 3.527 0.174 1
1 783 . 5 1 1 A 62 62 VAL CB C 59 31.301 31.433 -0.132 1
1 793 . 5 1 1 A 62 62 VAL C C 59 178.103 178.387 -0.284 1
1 794 . 5 1 1 A 63 63 LEU N N 60 119.573 119.609 -0.036 1
1 795 . 5 1 1 A 63 63 LEU H H 60 7.585 8.304 -0.719 1
1 796 . 5 1 1 A 63 63 LEU CA C 60 57.571 58.165 -0.594 1
1 797 . 5 1 1 A 63 63 LEU HA H 60 3.923 3.865 0.058 1
1 798 . 5 1 1 A 63 63 LEU CB C 60 41.711 41.633 0.078 1
1 810 . 5 1 1 A 63 63 LEU C C 60 178.692 178.934 -0.242 1
1 811 . 5 1 1 A 64 64 GLN N N 61 114.206 117.150 -2.944 1
1 812 . 5 1 1 A 64 64 GLN H H 61 8.373 8.734 -0.361 1
1 813 . 5 1 1 A 64 64 GLN CA C 61 58.039 58.408 -0.369 1
1 814 . 5 1 1 A 64 64 GLN HA H 61 4.090 4.020 0.070 1
1 815 . 5 1 1 A 64 64 GLN CB C 61 28.670 28.369 0.301 1
1 821 . 5 1 1 A 64 64 GLN C C 61 178.207 177.353 0.854 1
1 822 . 5 1 1 A 65 65 ASP N N 62 118.671 120.208 -1.537 1
1 823 . 5 1 1 A 65 65 ASP H H 62 7.973 7.767 0.206 1
1 824 . 5 1 1 A 65 65 ASP CA C 62 56.961 57.281 -0.320 1
1 825 . 5 1 1 A 65 65 ASP HA H 62 4.353 4.468 -0.115 1
1 826 . 5 1 1 A 65 65 ASP CB C 62 39.856 41.050 -1.194 1
1 829 . 5 1 1 A 65 65 ASP C C 62 178.113 178.983 -0.870 1
1 830 . 5 1 1 A 66 66 LEU N N 63 119.708 120.620 -0.912 1
1 831 . 5 1 1 A 66 66 LEU H H 63 7.970 8.143 -0.173 1
1 832 . 5 1 1 A 66 66 LEU CA C 63 57.549 57.990 -0.441 1
1 833 . 5 1 1 A 66 66 LEU HA H 63 3.838 3.994 -0.156 1
1 834 . 5 1 1 A 66 66 LEU CB C 63 41.235 42.028 -0.793 1
1 847 . 5 1 1 A 66 66 LEU C C 63 180.041 179.094 0.947 1
1 848 . 5 1 1 A 67 67 ILE N N 64 118.309 119.314 -1.005 1
1 849 . 5 1 1 A 67 67 ILE H H 64 7.555 8.044 -0.489 1
1 850 . 5 1 1 A 67 67 ILE CA C 64 63.895 65.357 -1.462 1
1 851 . 5 1 1 A 67 67 ILE HA H 64 3.794 3.405 0.389 1
1 852 . 5 1 1 A 67 67 ILE CB C 64 37.181 37.516 -0.335 1
1 865 . 5 1 1 A 67 67 ILE C C 64 176.949 178.043 -1.094 1
1 866 . 5 1 1 A 68 68 ARG N N 65 122.359 120.413 1.946 1
1 867 . 5 1 1 A 68 68 ARG H H 65 9.489 8.308 1.181 1
1 868 . 5 1 1 A 68 68 ARG CA C 65 60.488 59.998 0.490 1
1 869 . 5 1 1 A 68 68 ARG HA H 65 3.692 3.938 -0.246 1
1 870 . 5 1 1 A 68 68 ARG CB C 65 29.897 30.088 -0.191 1
1 880 . 5 1 1 A 68 68 ARG C C 65 177.728 179.127 -1.399 1
1 881 . 5 1 1 A 69 69 ASN N N 66 116.248 117.245 -0.997 1
1 882 . 5 1 1 A 69 69 ASN H H 66 8.546 8.566 -0.020 1
1 883 . 5 1 1 A 69 69 ASN CA C 66 55.945 56.446 -0.501 1
1 884 . 5 1 1 A 69 69 ASN HA H 66 4.391 4.491 -0.100 1
1 885 . 5 1 1 A 69 69 ASN CB C 66 37.828 38.164 -0.336 1
1 891 . 5 1 1 A 69 69 ASN C C 66 176.520 178.211 -1.691 1
1 892 . 5 1 1 A 70 70 PHE N N 67 121.134 119.523 1.611 1
1 893 . 5 1 1 A 70 70 PHE H H 67 7.693 8.405 -0.712 1
1 894 . 5 1 1 A 70 70 PHE CA C 67 60.170 60.453 -0.283 1
1 895 . 5 1 1 A 70 70 PHE HA H 67 4.535 4.306 0.229 1
1 896 . 5 1 1 A 70 70 PHE CB C 67 39.838 38.971 0.867 1
1 902 . 5 1 1 A 70 70 PHE C C 67 177.756 178.369 -0.613 1
1 903 . 5 1 1 A 71 71 LEU N N 68 117.959 119.398 -1.439 1
1 904 . 5 1 1 A 71 71 LEU H H 68 8.336 8.683 -0.347 1
1 905 . 5 1 1 A 71 71 LEU CA C 68 57.468 57.786 -0.318 1
1 906 . 5 1 1 A 71 71 LEU HA H 68 3.828 4.076 -0.248 1
1 907 . 5 1 1 A 71 71 LEU CB C 68 42.156 41.301 0.855 1
1 919 . 5 1 1 A 71 71 LEU C C 68 178.037 179.458 -1.421 1
1 920 . 5 1 1 A 72 72 GLN N N 69 117.479 118.438 -0.959 1
1 921 . 5 1 1 A 72 72 GLN H H 69 8.802 8.229 0.573 1
1 922 . 5 1 1 A 72 72 GLN CA C 69 58.632 59.159 -0.527 1
1 923 . 5 1 1 A 72 72 GLN HA H 69 3.906 4.078 -0.172 1
1 924 . 5 1 1 A 72 72 GLN CB C 69 27.010 28.444 -1.434 1
1 933 . 5 1 1 A 72 72 GLN C C 69 179.337 177.626 1.711 1
1 934 . 5 1 1 A 73 73 ASN N N 70 117.551 117.131 0.420 1
1 935 . 5 1 1 A 73 73 ASN H H 70 8.124 8.400 -0.276 1
1 936 . 5 1 1 A 73 73 ASN CA C 70 54.051 54.920 -0.869 1
1 937 . 5 1 1 A 73 73 ASN HA H 70 4.602 4.518 0.084 1
1 938 . 5 1 1 A 73 73 ASN CB C 70 37.810 38.475 -0.665 1
1 944 . 5 1 1 A 73 73 ASN C C 70 175.490 177.738 -2.248 1
1 945 . 5 1 1 A 74 74 ALA N N 71 120.962 120.825 0.137 1
1 946 . 5 1 1 A 74 74 ALA H H 71 7.787 7.621 0.166 1
1 947 . 5 1 1 A 74 74 ALA CA C 71 53.143 54.100 -0.957 1
1 948 . 5 1 1 A 74 74 ALA HA H 71 4.193 4.085 0.108 1
1 952 . 5 1 1 A 74 74 ALA CB C 71 19.064 18.529 0.535 1
1 953 . 5 1 1 A 74 74 ALA C C 71 176.255 177.868 -1.613 1
1 954 . 5 1 1 A 75 75 LEU N N 72 112.822 111.163 1.659 1
1 955 . 5 1 1 A 75 75 LEU H H 72 7.381 7.524 -0.143 1
1 956 . 5 1 1 A 75 75 LEU CA C 72 52.987 53.577 -0.590 1
1 957 . 5 1 1 A 75 75 LEU HA H 72 4.305 4.559 -0.254 1
1 958 . 5 1 1 A 75 75 LEU CB C 72 41.490 41.843 -0.353 1
1 971 . 5 1 1 A 75 75 LEU C C 72 175.867 175.847 0.020 1
1 972 . 5 1 1 A 76 76 VAL N N 73 120.671 121.974 -1.303 1
1 973 . 5 1 1 A 76 76 VAL H H 73 6.797 7.961 -1.164 1
1 974 . 5 1 1 A 76 76 VAL CA C 73 62.994 60.373 2.621 1
1 975 . 5 1 1 A 76 76 VAL HA H 73 3.707 4.572 -0.865 1
1 976 . 5 1 1 A 76 76 VAL CB C 73 32.014 34.254 -2.240 1
1 986 . 5 1 1 A 76 76 VAL C C 73 176.144 175.968 0.176 1
1 987 . 5 1 1 A 77 77 VAL N N 74 128.303 125.951 2.352 1
1 988 . 5 1 1 A 77 77 VAL H H 74 8.407 8.583 -0.176 1
1 989 . 5 1 1 A 77 77 VAL CA C 74 64.673 65.275 -0.602 1
1 990 . 5 1 1 A 77 77 VAL HA H 74 3.651 3.520 0.131 1
1 991 . 5 1 1 A 77 77 VAL CB C 74 30.789 31.391 -0.602 1
1 1001 . 5 1 1 A 77 77 VAL C C 74 176.911 177.349 -0.438 1
1 1002 . 5 1 1 A 78 78 GLY N N 75 116.087 114.988 1.099 1
1 1003 . 5 1 1 A 78 78 GLY H H 75 8.827 8.986 -0.159 1
1 1004 . 5 1 1 A 78 78 GLY CA C 75 45.004 46.063 -1.059 1
1 1005 . 5 1 1 A 78 78 GLY HA2 H 75 4.236 3.905 0.331 1
1 1006 . 5 1 1 A 78 78 GLY HA3 H 75 3.738 3.908 -0.170 1
1 1007 . 5 1 1 A 78 78 GLY C C 75 173.779 174.228 -0.449 1
1 1008 . 5 1 1 A 79 79 LYS N N 76 121.612 120.872 0.740 1
1 1009 . 5 1 1 A 79 79 LYS H H 76 8.140 7.669 0.471 1
1 1010 . 5 1 1 A 79 79 LYS CA C 76 54.078 55.432 -1.354 1
1 1011 . 5 1 1 A 79 79 LYS HA H 76 4.588 4.482 0.106 1
1 1012 . 5 1 1 A 79 79 LYS CB C 76 32.708 33.409 -0.701 1
1 1024 . 5 1 1 A 79 79 LYS C C 76 175.177 175.456 -0.279 1
1 1025 . 5 1 1 A 80 80 SER N N 77 117.166 116.649 0.517 1
1 1026 . 5 1 1 A 80 80 SER H H 77 8.241 7.589 0.652 1
1 1027 . 5 1 1 A 80 80 SER CA C 77 59.173 58.719 0.454 1
1 1028 . 5 1 1 A 80 80 SER HA H 77 4.356 4.347 0.009 1
1 1029 . 5 1 1 A 80 80 SER CB C 77 63.288 63.499 -0.211 1
1 1032 . 5 1 1 A 80 80 SER C C 77 174.793 173.956 0.837 1
1 1033 . 5 1 1 A 81 81 ASP N N 78 118.775 124.705 -5.930 1
1 1034 . 5 1 1 A 81 81 ASP H H 78 8.506 8.691 -0.185 1
1 1035 . 5 1 1 A 81 81 ASP CA C 78 50.069 51.348 -1.279 1
1 1036 . 5 1 1 A 81 81 ASP HA H 78 5.423 5.005 0.418 1
1 1037 . 5 1 1 A 81 81 ASP CB C 78 41.498 41.297 0.201 1
1 1041 . 5 1 1 A 82 82 PRO CA C 79 63.656 64.276 -0.620 1
1 1042 . 5 1 1 A 82 82 PRO HA H 79 4.271 4.303 -0.032 1
1 1043 . 5 1 1 A 82 82 PRO CB C 79 31.303 31.780 -0.477 1
1 1051 . 5 1 1 A 82 82 PRO C C 79 178.645 178.069 0.576 1
1 1052 . 5 1 1 A 83 83 TYR N N 80 117.360 117.385 -0.025 1
1 1053 . 5 1 1 A 83 83 TYR H H 80 7.561 7.320 0.241 1
1 1054 . 5 1 1 A 83 83 TYR CA C 80 59.635 61.531 -1.896 1
1 1055 . 5 1 1 A 83 83 TYR HA H 80 4.163 4.261 -0.098 1
1 1056 . 5 1 1 A 83 83 TYR CB C 80 35.602 38.445 -2.843 1
1 1065 . 5 1 1 A 83 83 TYR C C 80 176.904 178.607 -1.703 1
1 1066 . 5 1 1 A 84 84 ARG N N 81 120.833 119.106 1.727 1
1 1067 . 5 1 1 A 84 84 ARG H H 81 7.898 8.481 -0.583 1
1 1068 . 5 1 1 A 84 84 ARG CA C 81 58.332 59.373 -1.041 1
1 1069 . 5 1 1 A 84 84 ARG HA H 81 4.615 4.285 0.330 1
1 1070 . 5 1 1 A 84 84 ARG CB C 81 28.242 29.960 -1.718 1
1 1071 . 5 1 1 A 84 84 ARG C C 81 176.940 179.486 -2.546 1
1 1072 . 5 1 1 A 85 85 VAL N N 82 117.345 120.226 -2.881 1
1 1073 . 5 1 1 A 85 85 VAL H H 82 6.971 8.169 -1.198 1
1 1074 . 5 1 1 A 85 85 VAL CA C 82 65.663 66.800 -1.137 1
1 1075 . 5 1 1 A 85 85 VAL HA H 82 3.417 3.580 -0.163 1
1 1076 . 5 1 1 A 85 85 VAL CB C 82 31.165 31.621 -0.456 1
1 1085 . 5 1 1 A 85 85 VAL C C 82 176.601 177.785 -1.184 1
1 1086 . 5 1 1 A 86 86 GLN N N 83 117.137 120.159 -3.022 1
1 1087 . 5 1 1 A 86 86 GLN H H 83 7.536 8.604 -1.068 1
1 1088 . 5 1 1 A 86 86 GLN CA C 83 58.230 58.547 -0.317 1
1 1089 . 5 1 1 A 86 86 GLN HA H 83 3.953 4.118 -0.165 1
1 1090 . 5 1 1 A 86 86 GLN CB C 83 28.240 28.470 -0.230 1
1 1099 . 5 1 1 A 86 86 GLN C C 83 178.602 178.123 0.479 1
1 1100 . 5 1 1 A 87 87 ALA N N 84 121.452 122.235 -0.783 1
1 1101 . 5 1 1 A 87 87 ALA H H 84 8.843 7.952 0.891 1
1 1102 . 5 1 1 A 87 87 ALA CA C 84 54.905 55.283 -0.378 1
1 1103 . 5 1 1 A 87 87 ALA HA H 84 4.048 4.276 -0.228 1
1 1107 . 5 1 1 A 87 87 ALA CB C 84 18.088 18.733 -0.645 1
1 1108 . 5 1 1 A 87 87 ALA C C 84 178.498 179.959 -1.461 1
1 1109 . 5 1 1 A 88 88 VAL N N 85 117.570 118.435 -0.865 1
1 1110 . 5 1 1 A 88 88 VAL H H 85 8.515 8.616 -0.101 1
1 1111 . 5 1 1 A 88 88 VAL CA C 85 67.315 66.550 0.765 1
1 1112 . 5 1 1 A 88 88 VAL HA H 85 3.764 3.480 0.284 1
1 1113 . 5 1 1 A 88 88 VAL CB C 85 30.610 31.605 -0.995 1
1 1123 . 5 1 1 A 88 88 VAL C C 85 177.138 177.936 -0.798 1
1 1124 . 5 1 1 A 89 89 LYS N N 86 120.005 120.742 -0.737 1
1 1125 . 5 1 1 A 89 89 LYS H H 86 8.612 8.672 -0.060 1
1 1126 . 5 1 1 A 89 89 LYS CA C 86 60.851 59.334 1.517 1
1 1127 . 5 1 1 A 89 89 LYS HA H 86 3.827 3.986 -0.159 1
1 1128 . 5 1 1 A 89 89 LYS CB C 86 31.974 32.145 -0.171 1
1 1140 . 5 1 1 A 89 89 LYS C C 86 178.096 178.755 -0.659 1
1 1141 . 5 1 1 A 90 90 PHE N N 87 119.839 120.351 -0.512 1
1 1142 . 5 1 1 A 90 90 PHE H H 87 8.184 7.957 0.227 1
1 1143 . 5 1 1 A 90 90 PHE CA C 87 60.604 61.337 -0.733 1
1 1144 . 5 1 1 A 90 90 PHE HA H 87 4.302 4.224 0.078 1
1 1145 . 5 1 1 A 90 90 PHE CB C 87 38.349 39.410 -1.061 1
1 1154 . 5 1 1 A 90 90 PHE C C 87 177.748 177.564 0.184 1
1 1155 . 5 1 1 A 91 91 LEU N N 88 118.977 119.579 -0.602 1
1 1156 . 5 1 1 A 91 91 LEU H H 88 8.604 8.533 0.071 1
1 1157 . 5 1 1 A 91 91 LEU CA C 88 58.058 58.385 -0.327 1
1 1158 . 5 1 1 A 91 91 LEU HA H 88 3.975 3.708 0.267 1
1 1159 . 5 1 1 A 91 91 LEU CB C 88 41.114 42.019 -0.905 1
1 1169 . 5 1 1 A 91 91 LEU C C 88 178.106 179.103 -0.997 1
1 1170 . 5 1 1 A 92 92 ILE N N 89 118.378 118.499 -0.121 1
1 1171 . 5 1 1 A 92 92 ILE H H 89 8.420 8.345 0.075 1
1 1172 . 5 1 1 A 92 92 ILE CA C 89 65.761 65.706 0.055 1
1 1173 . 5 1 1 A 92 92 ILE HA H 89 3.542 3.440 0.102 1
1 1174 . 5 1 1 A 92 92 ILE CB C 89 37.372 37.944 -0.572 1
1 1184 . 5 1 1 A 92 92 ILE C C 89 176.952 178.316 -1.364 1
1 1185 . 5 1 1 A 93 93 GLU N N 90 120.262 120.568 -0.306 1
1 1186 . 5 1 1 A 93 93 GLU H H 90 8.133 8.241 -0.108 1
1 1187 . 5 1 1 A 93 93 GLU CA C 90 58.766 59.992 -1.226 1
1 1188 . 5 1 1 A 93 93 GLU HA H 90 4.038 3.828 0.210 1
1 1189 . 5 1 1 A 93 93 GLU CB C 90 28.466 29.064 -0.598 1
1 1195 . 5 1 1 A 93 93 GLU C C 90 178.689 178.461 0.228 1
1 1196 . 5 1 1 A 94 94 ARG N N 91 117.630 118.951 -1.321 1
1 1197 . 5 1 1 A 94 94 ARG H H 91 7.952 7.938 0.014 1
1 1198 . 5 1 1 A 94 94 ARG CA C 91 58.343 58.587 -0.244 1
1 1199 . 5 1 1 A 94 94 ARG HA H 91 3.941 3.884 0.057 1
1 1200 . 5 1 1 A 94 94 ARG CB C 91 29.048 29.608 -0.560 1
1 1215 . 5 1 1 A 94 94 ARG C C 91 178.875 178.841 0.034 1
1 1216 . 5 1 1 A 95 95 ILE N N 92 120.056 119.768 0.288 1
1 1217 . 5 1 1 A 95 95 ILE H H 92 8.225 7.878 0.347 1
1 1218 . 5 1 1 A 95 95 ILE CA C 92 63.296 65.161 -1.865 1
1 1219 . 5 1 1 A 95 95 ILE HA H 92 3.972 3.746 0.226 1
1 1220 . 5 1 1 A 95 95 ILE CB C 92 36.921 36.779 0.142 1
1 1233 . 5 1 1 A 95 95 ILE C C 92 180.242 179.074 1.168 1
1 1234 . 5 1 1 A 96 96 ARG N N 93 121.023 120.481 0.542 1
1 1235 . 5 1 1 A 96 96 ARG H H 93 8.259 8.198 0.061 1
1 1236 . 5 1 1 A 96 96 ARG CA C 93 58.401 58.769 -0.368 1
1 1237 . 5 1 1 A 96 96 ARG HA H 93 4.068 4.187 -0.119 1
1 1238 . 5 1 1 A 96 96 ARG CB C 93 29.474 30.248 -0.774 1
1 1254 . 5 1 1 A 96 96 ARG C C 93 177.500 177.042 0.458 1
1 1255 . 5 1 1 A 97 97 LYS N N 94 116.750 117.396 -0.646 1
1 1256 . 5 1 1 A 97 97 LYS H H 94 7.527 7.590 -0.063 1
1 1257 . 5 1 1 A 97 97 LYS CA C 94 55.282 55.396 -0.114 1
1 1258 . 5 1 1 A 97 97 LYS HA H 94 4.274 4.380 -0.106 1
1 1259 . 5 1 1 A 97 97 LYS CB C 94 32.112 33.889 -1.777 1
1 1271 . 5 1 1 A 97 97 LYS C C 94 174.901 175.679 -0.778 1
1 1272 . 5 1 1 A 98 98 ASN N N 95 116.979 116.999 -0.020 1
1 1273 . 5 1 1 A 98 98 ASN H H 95 8.150 7.982 0.168 1
1 1274 . 5 1 1 A 98 98 ASN CA C 95 53.822 53.872 -0.050 1
1 1275 . 5 1 1 A 98 98 ASN HA H 95 4.370 4.322 0.048 1
1 1276 . 5 1 1 A 98 98 ASN CB C 95 36.674 37.166 -0.492 1
1 1282 . 5 1 1 A 98 98 ASN C C 95 173.779 174.053 -0.274 1
1 1283 . 5 1 1 A 99 99 GLU N N 96 118.529 120.332 -1.803 1
1 1284 . 5 1 1 A 99 99 GLU H H 96 8.236 8.163 0.073 1
1 1285 . 5 1 1 A 99 99 GLU CA C 96 52.891 53.211 -0.320 1
1 1286 . 5 1 1 A 99 99 GLU HA H 96 4.673 4.805 -0.132 1
1 1287 . 5 1 1 A 99 99 GLU CB C 96 30.358 31.902 -1.544 1
1 1292 . 5 1 1 A 100 100 PRO CA C 97 62.037 62.779 -0.742 1
1 1293 . 5 1 1 A 100 100 PRO HA H 97 4.272 4.783 -0.511 1
1 1294 . 5 1 1 A 100 100 PRO CB C 97 31.609 31.620 -0.011 1
1 1302 . 5 1 1 A 100 100 PRO C C 97 176.184 176.830 -0.646 1
1 1303 . 5 1 1 A 101 101 LEU N N 98 122.794 124.469 -1.675 1
1 1304 . 5 1 1 A 101 101 LEU H H 98 8.832 8.356 0.476 1
1 1305 . 5 1 1 A 101 101 LEU CA C 98 52.524 53.408 -0.884 1
1 1306 . 5 1 1 A 101 101 LEU HA H 98 4.654 4.557 0.097 1
1 1307 . 5 1 1 A 101 101 LEU CB C 98 40.422 42.250 -1.828 1
1 1321 . 5 1 1 A 102 102 PRO CA C 99 61.075 62.264 -1.189 1
1 1322 . 5 1 1 A 102 102 PRO HA H 99 4.629 4.662 -0.033 1
1 1323 . 5 1 1 A 102 102 PRO CB C 99 31.778 33.190 -1.412 1
1 1328 . 5 1 1 A 102 102 PRO C C 99 174.604 176.178 -1.574 1
1 1329 . 5 1 1 A 103 103 VAL N N 100 120.834 120.971 -0.137 1
1 1330 . 5 1 1 A 103 103 VAL H H 100 8.661 8.552 0.109 1
1 1331 . 5 1 1 A 103 103 VAL CA C 100 62.977 62.457 0.520 1
1 1332 . 5 1 1 A 103 103 VAL HA H 100 3.860 4.129 -0.269 1
1 1333 . 5 1 1 A 103 103 VAL CB C 100 31.731 31.567 0.164 1
1 1342 . 5 1 1 A 103 103 VAL C C 100 177.396 176.165 1.231 1
1 1343 . 5 1 1 A 104 104 TYR N N 101 129.973 128.027 1.946 1
1 1344 . 5 1 1 A 104 104 TYR H H 101 8.487 9.191 -0.704 1
1 1345 . 5 1 1 A 104 104 TYR CA C 101 62.855 62.367 0.488 1
1 1346 . 5 1 1 A 104 104 TYR HA H 101 3.802 4.116 -0.314 1
1 1347 . 5 1 1 A 104 104 TYR CB C 101 38.429 39.019 -0.590 1
1 1356 . 5 1 1 A 104 104 TYR C C 101 175.877 177.571 -1.694 1
1 1357 . 5 1 1 A 105 105 LYS N N 102 117.165 118.929 -1.764 1
1 1358 . 5 1 1 A 105 105 LYS H H 102 8.848 8.209 0.639 1
1 1359 . 5 1 1 A 105 105 LYS CA C 102 59.343 59.602 -0.259 1
1 1360 . 5 1 1 A 105 105 LYS HA H 102 3.810 3.815 -0.005 1
1 1361 . 5 1 1 A 105 105 LYS CB C 102 31.739 32.580 -0.841 1
1 1373 . 5 1 1 A 105 105 LYS C C 102 177.370 178.371 -1.001 1
1 1374 . 5 1 1 A 106 106 ASP N N 103 117.011 119.890 -2.879 1
1 1375 . 5 1 1 A 106 106 ASP H H 103 6.781 8.189 -1.408 1
1 1376 . 5 1 1 A 106 106 ASP CA C 103 56.155 57.499 -1.344 1
1 1377 . 5 1 1 A 106 106 ASP HA H 103 4.454 4.312 0.142 1
1 1378 . 5 1 1 A 106 106 ASP CB C 103 39.467 41.515 -2.048 1
1 1381 . 5 1 1 A 106 106 ASP C C 103 178.180 178.041 0.139 1
1 1382 . 5 1 1 A 107 107 LEU N N 104 124.145 119.842 4.303 1
1 1383 . 5 1 1 A 107 107 LEU H H 104 7.687 8.305 -0.618 1
1 1384 . 5 1 1 A 107 107 LEU CA C 104 56.938 58.207 -1.269 1
1 1385 . 5 1 1 A 107 107 LEU HA H 104 4.000 3.934 0.066 1
1 1386 . 5 1 1 A 107 107 LEU CB C 104 41.707 41.717 -0.010 1
1 1399 . 5 1 1 A 107 107 LEU C C 104 176.403 178.868 -2.465 1
1 1400 . 5 1 1 A 108 108 TRP N N 105 120.039 120.665 -0.626 1
1 1401 . 5 1 1 A 108 108 TRP H H 105 9.072 8.523 0.549 1
1 1402 . 5 1 1 A 108 108 TRP CA C 105 62.392 60.759 1.633 1
1 1403 . 5 1 1 A 108 108 TRP HA H 105 3.547 3.997 -0.450 1
1 1404 . 5 1 1 A 108 108 TRP CB C 105 28.316 29.126 -0.810 1
1 1415 . 5 1 1 A 108 108 TRP C C 105 176.983 177.834 -0.851 1
1 1416 . 5 1 1 A 109 109 ASN N N 106 113.557 116.557 -3.000 1
1 1417 . 5 1 1 A 109 109 ASN H H 106 8.058 8.567 -0.509 1
1 1418 . 5 1 1 A 109 109 ASN CA C 106 55.662 56.046 -0.384 1
1 1419 . 5 1 1 A 109 109 ASN HA H 106 3.994 4.092 -0.098 1
1 1420 . 5 1 1 A 109 109 ASN CB C 106 37.973 37.710 0.263 1
1 1426 . 5 1 1 A 109 109 ASN C C 106 176.928 177.383 -0.455 1
1 1427 . 5 1 1 A 110 110 ALA N N 107 121.997 122.473 -0.476 1
1 1428 . 5 1 1 A 110 110 ALA H H 107 7.718 8.093 -0.375 1
1 1429 . 5 1 1 A 110 110 ALA CA C 107 54.261 54.999 -0.738 1
1 1430 . 5 1 1 A 110 110 ALA HA H 107 3.979 4.013 -0.034 1
1 1434 . 5 1 1 A 110 110 ALA CB C 107 17.322 18.303 -0.981 1
1 1435 . 5 1 1 A 110 110 ALA C C 107 180.452 179.945 0.507 1
1 1436 . 5 1 1 A 111 111 LEU N N 108 119.150 117.761 1.389 1
1 1437 . 5 1 1 A 111 111 LEU H H 108 8.200 8.403 -0.203 1
1 1438 . 5 1 1 A 111 111 LEU CA C 108 56.264 57.410 -1.146 1
1 1439 . 5 1 1 A 111 111 LEU HA H 108 3.857 3.890 -0.033 1
1 1440 . 5 1 1 A 111 111 LEU CB C 108 41.134 40.973 0.161 1
1 1453 . 5 1 1 A 111 111 LEU C C 108 178.144 179.124 -0.980 1
1 1454 . 5 1 1 A 112 112 ARG N N 109 117.178 119.727 -2.549 1
1 1455 . 5 1 1 A 112 112 ARG H H 109 7.365 7.899 -0.534 1
1 1456 . 5 1 1 A 112 112 ARG CA C 109 56.443 59.368 -2.925 1
1 1457 . 5 1 1 A 112 112 ARG HA H 109 2.642 3.719 -1.077 1
1 1458 . 5 1 1 A 112 112 ARG CB C 109 28.901 29.306 -0.405 1
1 1469 . 5 1 1 A 112 112 ARG C C 109 176.348 178.759 -2.411 1
1 1470 . 5 1 1 A 113 113 LYS N N 110 118.628 117.852 0.776 1
1 1471 . 5 1 1 A 113 113 LYS H H 110 7.145 7.781 -0.636 1
1 1472 . 5 1 1 A 113 113 LYS CA C 110 56.410 56.751 -0.341 1
1 1473 . 5 1 1 A 113 113 LYS HA H 110 4.018 4.151 -0.133 1
1 1474 . 5 1 1 A 113 113 LYS CB C 110 32.091 32.908 -0.817 1
1 1486 . 5 1 1 A 113 113 LYS C C 110 176.164 177.094 -0.930 1
1 5 . 6 1 1 A 2 2 SER N N -2 115.414 111.416 3.998 1
1 6 . 6 1 1 A 2 2 SER H H -2 8.737 7.803 0.934 1
1 7 . 6 1 1 A 2 2 SER CA C -2 57.710 58.140 -0.430 1
1 8 . 6 1 1 A 2 2 SER HA H -2 4.446 4.691 -0.245 1
1 9 . 6 1 1 A 2 2 SER CB C -2 63.365 65.384 -2.019 1
1 12 . 6 1 1 A 2 2 SER C C -2 173.826 174.410 -0.584 1
1 40 . 6 1 1 A 5 5 ILE N N 2 122.114 119.889 2.225 1
1 41 . 6 1 1 A 5 5 ILE H H 2 8.292 7.500 0.792 1
1 42 . 6 1 1 A 5 5 ILE CA C 2 60.568 59.565 1.003 1
1 43 . 6 1 1 A 5 5 ILE HA H 2 4.102 4.836 -0.734 1
1 44 . 6 1 1 A 5 5 ILE CB C 2 38.417 41.927 -3.510 1
1 57 . 6 1 1 A 5 5 ILE C C 2 174.970 174.274 0.696 1
1 58 . 6 1 1 A 6 6 ASN N N 3 122.794 120.793 2.001 1
1 59 . 6 1 1 A 6 6 ASN H H 3 8.636 8.708 -0.072 1
1 60 . 6 1 1 A 6 6 ASN CA C 3 52.274 53.164 -0.890 1
1 61 . 6 1 1 A 6 6 ASN HA H 3 4.712 5.194 -0.482 1
1 62 . 6 1 1 A 6 6 ASN CB C 3 38.194 42.472 -4.278 1
1 68 . 6 1 1 A 6 6 ASN C C 3 174.766 175.171 -0.405 1
1 69 . 6 1 1 A 7 7 LEU N N 4 123.220 124.231 -1.011 1
1 70 . 6 1 1 A 7 7 LEU H H 4 8.484 8.812 -0.328 1
1 71 . 6 1 1 A 7 7 LEU CA C 4 55.359 58.208 -2.849 1
1 72 . 6 1 1 A 7 7 LEU HA H 4 4.197 4.019 0.178 1
1 73 . 6 1 1 A 7 7 LEU CB C 4 41.461 41.593 -0.132 1
1 86 . 6 1 1 A 7 7 LEU C C 4 177.248 178.036 -0.788 1
1 87 . 6 1 1 A 8 8 GLU N N 5 119.354 118.133 1.221 1
1 88 . 6 1 1 A 8 8 GLU H H 5 8.455 7.838 0.617 1
1 89 . 6 1 1 A 8 8 GLU CA C 5 56.589 57.508 -0.919 1
1 90 . 6 1 1 A 8 8 GLU HA H 5 4.091 4.423 -0.332 1
1 91 . 6 1 1 A 8 8 GLU CB C 5 29.275 29.750 -0.475 1
1 97 . 6 1 1 A 8 8 GLU C C 5 175.981 177.069 -1.088 1
1 98 . 6 1 1 A 9 9 ASP N N 6 119.780 118.760 1.020 1
1 99 . 6 1 1 A 9 9 ASP H H 6 8.136 8.140 -0.004 1
1 100 . 6 1 1 A 9 9 ASP CA C 6 53.931 53.918 0.013 1
1 101 . 6 1 1 A 9 9 ASP HA H 6 4.492 5.022 -0.530 1
1 102 . 6 1 1 A 9 9 ASP CB C 6 40.360 42.219 -1.859 1
1 105 . 6 1 1 A 9 9 ASP C C 6 175.397 175.928 -0.531 1
1 106 . 6 1 1 A 10 10 TYR N N 7 119.939 120.118 -0.179 1
1 107 . 6 1 1 A 10 10 TYR H H 7 7.902 8.088 -0.186 1
1 108 . 6 1 1 A 10 10 TYR CA C 7 57.667 58.035 -0.368 1
1 109 . 6 1 1 A 10 10 TYR HA H 7 4.431 4.863 -0.432 1
1 110 . 6 1 1 A 10 10 TYR CB C 7 38.236 39.836 -1.600 1
1 119 . 6 1 1 A 10 10 TYR C C 7 174.898 176.722 -1.824 1
1 120 . 6 1 1 A 11 11 TRP N N 8 122.648 119.502 3.146 1
1 121 . 6 1 1 A 11 11 TRP H H 8 7.917 8.180 -0.263 1
1 122 . 6 1 1 A 11 11 TRP CA C 8 56.562 59.174 -2.612 1
1 123 . 6 1 1 A 11 11 TRP HA H 8 4.578 4.406 0.172 1
1 124 . 6 1 1 A 11 11 TRP CB C 8 29.293 29.928 -0.635 1
1 139 . 6 1 1 A 11 11 TRP C C 8 175.212 176.434 -1.222 1
1 140 . 6 1 1 A 12 12 GLU N N 9 122.189 115.697 6.492 1
1 141 . 6 1 1 A 12 12 GLU H H 9 8.030 7.836 0.194 1
1 142 . 6 1 1 A 12 12 GLU CA C 9 55.743 55.569 0.174 1
1 143 . 6 1 1 A 12 12 GLU HA H 9 4.137 4.490 -0.353 1
1 144 . 6 1 1 A 12 12 GLU CB C 9 30.001 30.490 -0.489 1
1 150 . 6 1 1 A 12 12 GLU C C 9 175.138 175.118 0.020 1
1 151 . 6 1 1 A 13 13 ASP N N 10 121.099 117.772 3.327 1
1 152 . 6 1 1 A 13 13 ASP H H 10 8.253 8.751 -0.498 1
1 153 . 6 1 1 A 13 13 ASP CA C 10 53.843 54.157 -0.314 1
1 154 . 6 1 1 A 13 13 ASP HA H 10 4.500 5.036 -0.536 1
1 155 . 6 1 1 A 13 13 ASP CB C 10 40.715 42.311 -1.596 1
1 158 . 6 1 1 A 13 13 ASP C C 10 175.700 176.087 -0.387 1
1 159 . 6 1 1 A 14 14 GLU N N 11 121.240 118.857 2.383 1
1 160 . 6 1 1 A 14 14 GLU H H 11 8.435 8.006 0.429 1
1 161 . 6 1 1 A 14 14 GLU CA C 11 55.858 55.482 0.376 1
1 162 . 6 1 1 A 14 14 GLU HA H 11 4.289 4.545 -0.256 1
1 163 . 6 1 1 A 14 14 GLU CB C 11 29.758 30.442 -0.684 1
1 169 . 6 1 1 A 14 14 GLU C C 11 176.002 175.169 0.833 1
1 170 . 6 1 1 A 15 15 THR N N 12 118.367 113.180 5.187 1
1 171 . 6 1 1 A 15 15 THR H H 12 8.407 7.427 0.980 1
1 172 . 6 1 1 A 15 15 THR CA C 12 59.646 59.950 -0.304 1
1 173 . 6 1 1 A 15 15 THR HA H 12 4.503 4.535 -0.032 1
1 174 . 6 1 1 A 15 15 THR CB C 12 69.084 68.700 0.384 1
1 181 . 6 1 1 A 16 16 PRO CA C 13 62.791 62.638 0.153 1
1 182 . 6 1 1 A 16 16 PRO HA H 13 4.408 4.587 -0.179 1
1 183 . 6 1 1 A 16 16 PRO CB C 13 31.771 32.909 -1.138 1
1 191 . 6 1 1 A 16 16 PRO C C 13 176.689 176.589 0.100 1
1 192 . 6 1 1 A 17 17 GLY N N 14 109.540 107.436 2.104 1
1 193 . 6 1 1 A 17 17 GLY H H 14 8.423 8.352 0.071 1
1 194 . 6 1 1 A 17 17 GLY CA C 14 44.219 44.175 0.044 1
1 195 . 6 1 1 A 17 17 GLY HA2 H 14 4.010 4.279 -0.269 1
1 196 . 6 1 1 A 17 17 GLY HA3 H 14 4.159 4.289 -0.130 1
1 198 . 6 1 1 A 18 18 PRO CA C 15 62.843 62.574 0.269 1
1 199 . 6 1 1 A 18 18 PRO HA H 15 4.412 4.589 -0.177 1
1 200 . 6 1 1 A 18 18 PRO CB C 15 31.667 33.542 -1.875 1
1 208 . 6 1 1 A 18 18 PRO C C 15 176.447 175.866 0.581 1
1 209 . 6 1 1 A 19 19 ASP N N 16 119.197 120.764 -1.567 1
1 210 . 6 1 1 A 19 19 ASP H H 16 8.517 8.793 -0.276 1
1 211 . 6 1 1 A 19 19 ASP CA C 16 53.940 53.861 0.079 1
1 212 . 6 1 1 A 19 19 ASP HA H 16 4.559 4.933 -0.374 1
1 213 . 6 1 1 A 19 19 ASP CB C 16 40.180 41.487 -1.307 1
1 216 . 6 1 1 A 19 19 ASP C C 16 175.764 175.687 0.077 1
1 217 . 6 1 1 A 20 20 ARG N N 17 120.435 119.038 1.397 1
1 218 . 6 1 1 A 20 20 ARG H H 17 8.201 7.907 0.294 1
1 219 . 6 1 1 A 20 20 ARG CA C 17 55.216 57.584 -2.368 1
1 220 . 6 1 1 A 20 20 ARG HA H 17 4.356 4.613 -0.257 1
1 221 . 6 1 1 A 20 20 ARG CB C 17 30.184 31.726 -1.542 1
1 237 . 6 1 1 A 20 20 ARG C C 17 175.724 175.243 0.481 1
1 238 . 6 1 1 A 21 21 GLU N N 18 122.477 117.583 4.894 1
1 239 . 6 1 1 A 21 21 GLU H H 18 8.371 7.685 0.686 1
1 240 . 6 1 1 A 21 21 GLU CA C 18 53.658 55.320 -1.662 1
1 241 . 6 1 1 A 21 21 GLU HA H 18 4.657 4.478 0.179 1
1 242 . 6 1 1 A 21 21 GLU CB C 18 28.984 29.953 -0.969 1
1 249 . 6 1 1 A 22 22 PRO CA C 19 62.442 62.427 0.015 1
1 250 . 6 1 1 A 22 22 PRO HA H 19 4.516 4.627 -0.111 1
1 251 . 6 1 1 A 22 22 PRO CB C 19 31.903 33.260 -1.357 1
1 259 . 6 1 1 A 22 22 PRO C C 19 176.323 175.352 0.971 1
1 260 . 6 1 1 A 23 23 THR N N 20 112.531 113.235 -0.704 1
1 261 . 6 1 1 A 23 23 THR H H 20 7.946 8.485 -0.539 1
1 262 . 6 1 1 A 23 23 THR CA C 20 60.521 60.626 -0.105 1
1 263 . 6 1 1 A 23 23 THR HA H 20 4.373 4.709 -0.336 1
1 264 . 6 1 1 A 23 23 THR CB C 20 70.238 71.722 -1.484 1
1 270 . 6 1 1 A 23 23 THR C C 20 174.678 174.515 0.163 1
1 271 . 6 1 1 A 24 24 ASN N N 21 120.631 123.861 -3.230 1
1 272 . 6 1 1 A 24 24 ASN H H 21 8.958 9.165 -0.207 1
1 273 . 6 1 1 A 24 24 ASN CA C 21 54.854 57.264 -2.410 1
1 274 . 6 1 1 A 24 24 ASN HA H 21 4.467 4.398 0.069 1
1 275 . 6 1 1 A 24 24 ASN CB C 21 37.535 37.755 -0.220 1
1 281 . 6 1 1 A 24 24 ASN C C 21 176.397 177.660 -1.263 1
1 282 . 6 1 1 A 25 25 GLU N N 22 120.237 119.066 1.171 1
1 283 . 6 1 1 A 25 25 GLU H H 22 8.644 8.281 0.363 1
1 284 . 6 1 1 A 25 25 GLU CA C 22 59.195 59.066 0.129 1
1 285 . 6 1 1 A 25 25 GLU HA H 22 4.076 4.137 -0.061 1
1 286 . 6 1 1 A 25 25 GLU CB C 22 28.567 29.486 -0.919 1
1 292 . 6 1 1 A 25 25 GLU C C 22 177.942 178.752 -0.810 1
1 293 . 6 1 1 A 26 26 LEU N N 23 122.376 121.378 0.998 1
1 294 . 6 1 1 A 26 26 LEU H H 23 8.109 8.026 0.083 1
1 295 . 6 1 1 A 26 26 LEU CA C 23 56.940 58.153 -1.213 1
1 296 . 6 1 1 A 26 26 LEU HA H 23 4.247 4.002 0.245 1
1 297 . 6 1 1 A 26 26 LEU CB C 23 40.425 41.897 -1.472 1
1 310 . 6 1 1 A 26 26 LEU C C 23 178.298 178.312 -0.014 1
1 311 . 6 1 1 A 27 27 ARG N N 24 118.606 118.207 0.399 1
1 312 . 6 1 1 A 27 27 ARG H H 24 8.225 8.262 -0.037 1
1 313 . 6 1 1 A 27 27 ARG CA C 24 59.892 58.894 0.998 1
1 314 . 6 1 1 A 27 27 ARG HA H 24 3.875 4.045 -0.170 1
1 315 . 6 1 1 A 27 27 ARG CB C 24 28.853 29.682 -0.829 1
1 331 . 6 1 1 A 27 27 ARG C C 24 178.374 178.532 -0.158 1
1 332 . 6 1 1 A 28 28 ASN N N 25 117.812 118.600 -0.788 1
1 333 . 6 1 1 A 28 28 ASN H H 25 8.146 8.233 -0.087 1
1 334 . 6 1 1 A 28 28 ASN CA C 25 55.753 56.368 -0.615 1
1 335 . 6 1 1 A 28 28 ASN HA H 25 4.452 4.445 0.007 1
1 336 . 6 1 1 A 28 28 ASN CB C 25 37.388 38.985 -1.597 1
1 342 . 6 1 1 A 28 28 ASN C C 25 177.043 177.947 -0.904 1
1 343 . 6 1 1 A 29 29 GLU N N 26 121.177 118.079 3.098 1
1 344 . 6 1 1 A 29 29 GLU H H 26 8.247 8.591 -0.344 1
1 345 . 6 1 1 A 29 29 GLU CA C 26 58.897 59.136 -0.239 1
1 346 . 6 1 1 A 29 29 GLU HA H 26 4.075 4.100 -0.025 1
1 347 . 6 1 1 A 29 29 GLU CB C 26 29.202 29.385 -0.183 1
1 353 . 6 1 1 A 29 29 GLU C C 26 180.215 179.715 0.500 1
1 354 . 6 1 1 A 30 30 VAL N N 27 123.509 121.167 2.342 1
1 355 . 6 1 1 A 30 30 VAL H H 27 8.793 7.960 0.833 1
1 356 . 6 1 1 A 30 30 VAL CA C 27 68.051 66.352 1.699 1
1 357 . 6 1 1 A 30 30 VAL HA H 27 3.413 3.823 -0.410 1
1 358 . 6 1 1 A 30 30 VAL CB C 27 31.196 31.767 -0.571 1
1 368 . 6 1 1 A 30 30 VAL C C 27 176.589 177.771 -1.182 1
1 369 . 6 1 1 A 31 31 GLU N N 28 119.159 118.610 0.549 1
1 370 . 6 1 1 A 31 31 GLU H H 28 8.042 8.668 -0.626 1
1 371 . 6 1 1 A 31 31 GLU CA C 28 59.379 59.920 -0.541 1
1 372 . 6 1 1 A 31 31 GLU HA H 28 3.946 3.924 0.022 1
1 373 . 6 1 1 A 31 31 GLU CB C 28 28.603 29.252 -0.649 1
1 379 . 6 1 1 A 31 31 GLU C C 28 179.282 179.197 0.085 1
1 380 . 6 1 1 A 32 32 GLU N N 29 118.871 120.654 -1.783 1
1 381 . 6 1 1 A 32 32 GLU H H 29 8.550 8.194 0.356 1
1 382 . 6 1 1 A 32 32 GLU CA C 29 58.770 59.295 -0.525 1
1 383 . 6 1 1 A 32 32 GLU HA H 29 4.056 4.072 -0.016 1
1 384 . 6 1 1 A 32 32 GLU CB C 29 29.214 29.757 -0.543 1
1 390 . 6 1 1 A 32 32 GLU C C 29 178.791 178.532 0.259 1
1 391 . 6 1 1 A 33 33 THR N N 30 117.719 114.108 3.611 1
1 392 . 6 1 1 A 33 33 THR H H 30 8.205 8.246 -0.041 1
1 393 . 6 1 1 A 33 33 THR CA C 30 67.465 65.671 1.794 1
1 394 . 6 1 1 A 33 33 THR HA H 30 3.816 4.038 -0.222 1
1 395 . 6 1 1 A 33 33 THR CB C 30 66.888 68.268 -1.380 1
1 401 . 6 1 1 A 33 33 THR C C 30 175.681 177.510 -1.829 1
1 402 . 6 1 1 A 34 34 ILE N N 31 123.925 123.473 0.452 1
1 403 . 6 1 1 A 34 34 ILE H H 31 8.698 8.468 0.230 1
1 404 . 6 1 1 A 34 34 ILE CA C 31 66.438 64.819 1.619 1
1 405 . 6 1 1 A 34 34 ILE HA H 31 3.442 3.701 -0.259 1
1 406 . 6 1 1 A 34 34 ILE CB C 31 37.311 37.215 0.096 1
1 416 . 6 1 1 A 34 34 ILE C C 31 176.731 178.381 -1.650 1
1 417 . 6 1 1 A 35 35 THR N N 32 116.478 118.015 -1.537 1
1 418 . 6 1 1 A 35 35 THR H H 32 7.956 8.206 -0.250 1
1 419 . 6 1 1 A 35 35 THR CA C 32 66.447 67.223 -0.776 1
1 420 . 6 1 1 A 35 35 THR HA H 32 3.929 3.927 0.002 1
1 421 . 6 1 1 A 35 35 THR CB C 32 67.964 67.944 0.020 1
1 427 . 6 1 1 A 35 35 THR C C 32 176.226 176.763 -0.537 1
1 428 . 6 1 1 A 36 36 LEU N N 33 119.834 120.248 -0.414 1
1 429 . 6 1 1 A 36 36 LEU H H 33 7.663 8.272 -0.609 1
1 430 . 6 1 1 A 36 36 LEU CA C 33 57.274 57.973 -0.699 1
1 431 . 6 1 1 A 36 36 LEU HA H 33 4.075 4.044 0.031 1
1 432 . 6 1 1 A 36 36 LEU CB C 33 42.188 41.119 1.069 1
1 445 . 6 1 1 A 36 36 LEU C C 33 179.412 179.878 -0.466 1
1 446 . 6 1 1 A 37 37 MET N N 34 119.993 118.081 1.912 1
1 447 . 6 1 1 A 37 37 MET H H 34 8.509 8.589 -0.080 1
1 448 . 6 1 1 A 37 37 MET CA C 34 57.865 58.021 -0.156 1
1 449 . 6 1 1 A 37 37 MET HA H 34 3.865 4.180 -0.315 1
1 450 . 6 1 1 A 37 37 MET CB C 34 28.735 32.474 -3.739 1
1 460 . 6 1 1 A 37 37 MET C C 34 178.772 178.143 0.629 1
1 461 . 6 1 1 A 38 38 GLU N N 35 120.011 120.668 -0.657 1
1 462 . 6 1 1 A 38 38 GLU H H 35 8.321 8.291 0.030 1
1 463 . 6 1 1 A 38 38 GLU CA C 35 58.442 58.948 -0.506 1
1 464 . 6 1 1 A 38 38 GLU HA H 35 3.928 4.067 -0.139 1
1 465 . 6 1 1 A 38 38 GLU CB C 35 28.943 29.667 -0.724 1
1 471 . 6 1 1 A 38 38 GLU C C 35 176.040 177.868 -1.828 1
1 472 . 6 1 1 A 39 39 LEU N N 36 118.349 117.936 0.413 1
1 473 . 6 1 1 A 39 39 LEU H H 36 7.441 7.218 0.223 1
1 474 . 6 1 1 A 39 39 LEU CA C 36 54.614 54.056 0.558 1
1 475 . 6 1 1 A 39 39 LEU HA H 36 4.393 4.478 -0.085 1
1 476 . 6 1 1 A 39 39 LEU CB C 36 42.210 41.270 0.940 1
1 489 . 6 1 1 A 39 39 LEU C C 36 178.113 176.460 1.653 1
1 490 . 6 1 1 A 40 40 LEU N N 37 118.362 121.883 -3.521 1
1 491 . 6 1 1 A 40 40 LEU H H 37 7.464 7.378 0.086 1
1 492 . 6 1 1 A 40 40 LEU CA C 37 54.659 55.847 -1.188 1
1 493 . 6 1 1 A 40 40 LEU HA H 37 4.400 4.170 0.230 1
1 494 . 6 1 1 A 40 40 LEU CB C 37 40.993 42.423 -1.430 1
1 507 . 6 1 1 A 40 40 LEU C C 37 177.827 175.844 1.983 1
1 508 . 6 1 1 A 41 41 LYS N N 38 120.851 122.532 -1.681 1
1 509 . 6 1 1 A 41 41 LYS H H 38 9.254 8.542 0.712 1
1 510 . 6 1 1 A 41 41 LYS CA C 38 54.727 54.468 0.259 1
1 511 . 6 1 1 A 41 41 LYS HA H 38 4.572 4.806 -0.234 1
1 512 . 6 1 1 A 41 41 LYS CB C 38 33.768 35.840 -2.072 1
1 524 . 6 1 1 A 41 41 LYS C C 38 177.911 177.146 0.765 1
1 525 . 6 1 1 A 42 42 VAL N N 39 122.215 121.947 0.268 1
1 526 . 6 1 1 A 42 42 VAL H H 39 9.039 8.684 0.355 1
1 527 . 6 1 1 A 42 42 VAL CA C 39 67.408 65.321 2.087 1
1 528 . 6 1 1 A 42 42 VAL HA H 39 3.699 3.749 -0.050 1
1 529 . 6 1 1 A 42 42 VAL CB C 39 31.056 31.655 -0.599 1
1 539 . 6 1 1 A 42 42 VAL C C 39 176.560 177.879 -1.319 1
1 540 . 6 1 1 A 43 43 SER N N 40 114.377 117.529 -3.152 1
1 541 . 6 1 1 A 43 43 SER H H 40 8.686 8.089 0.597 1
1 542 . 6 1 1 A 43 43 SER CA C 40 61.144 61.515 -0.371 1
1 543 . 6 1 1 A 43 43 SER HA H 40 3.933 4.113 -0.180 1
1 544 . 6 1 1 A 43 43 SER CB C 40 60.933 62.660 -1.727 1
1 547 . 6 1 1 A 43 43 SER C C 40 175.910 176.966 -1.056 1
1 548 . 6 1 1 A 44 44 GLU N N 41 122.833 121.399 1.434 1
1 549 . 6 1 1 A 44 44 GLU H H 41 6.661 7.821 -1.160 1
1 550 . 6 1 1 A 44 44 GLU CA C 41 57.315 58.946 -1.631 1
1 551 . 6 1 1 A 44 44 GLU HA H 41 4.363 4.059 0.304 1
1 552 . 6 1 1 A 44 44 GLU CB C 41 30.399 29.864 0.535 1
1 558 . 6 1 1 A 44 44 GLU C C 41 178.185 179.520 -1.335 1
1 559 . 6 1 1 A 45 45 LEU N N 42 119.110 120.616 -1.506 1
1 560 . 6 1 1 A 45 45 LEU H H 42 8.393 8.876 -0.483 1
1 561 . 6 1 1 A 45 45 LEU CA C 42 57.359 57.828 -0.469 1
1 562 . 6 1 1 A 45 45 LEU HA H 42 3.918 3.968 -0.050 1
1 563 . 6 1 1 A 45 45 LEU CB C 42 42.476 41.545 0.931 1
1 576 . 6 1 1 A 45 45 LEU C C 42 179.735 179.122 0.613 1
1 577 . 6 1 1 A 46 46 LYS N N 43 118.025 119.665 -1.640 1
1 578 . 6 1 1 A 46 46 LYS H H 43 8.596 8.156 0.440 1
1 579 . 6 1 1 A 46 46 LYS CA C 43 60.844 59.729 1.115 1
1 580 . 6 1 1 A 46 46 LYS HA H 43 3.816 3.942 -0.126 1
1 581 . 6 1 1 A 46 46 LYS CB C 43 31.918 32.308 -0.390 1
1 593 . 6 1 1 A 46 46 LYS C C 43 177.672 178.459 -0.787 1
1 594 . 6 1 1 A 47 47 ASP N N 44 119.267 119.362 -0.095 1
1 595 . 6 1 1 A 47 47 ASP H H 44 7.448 8.184 -0.736 1
1 596 . 6 1 1 A 47 47 ASP CA C 44 57.422 57.393 0.029 1
1 597 . 6 1 1 A 47 47 ASP HA H 44 4.555 4.375 0.180 1
1 598 . 6 1 1 A 47 47 ASP CB C 44 39.264 40.908 -1.644 1
1 601 . 6 1 1 A 47 47 ASP C C 44 179.284 178.858 0.426 1
1 602 . 6 1 1 A 48 48 ILE N N 45 120.817 119.226 1.591 1
1 603 . 6 1 1 A 48 48 ILE H H 45 7.871 8.104 -0.233 1
1 604 . 6 1 1 A 48 48 ILE CA C 45 64.604 65.331 -0.727 1
1 605 . 6 1 1 A 48 48 ILE HA H 45 3.653 3.519 0.134 1
1 606 . 6 1 1 A 48 48 ILE CB C 45 36.293 38.164 -1.871 1
1 619 . 6 1 1 A 48 48 ILE C C 45 177.180 177.467 -0.287 1
1 620 . 6 1 1 A 49 49 CYS N N 46 117.775 119.673 -1.898 1
1 621 . 6 1 1 A 49 49 CYS H H 46 8.543 8.295 0.248 1
1 622 . 6 1 1 A 49 49 CYS CA C 46 64.971 63.432 1.539 1
1 623 . 6 1 1 A 49 49 CYS HA H 46 3.852 3.963 -0.111 1
1 624 . 6 1 1 A 49 49 CYS CB C 46 25.872 26.803 -0.931 1
1 627 . 6 1 1 A 49 49 CYS C C 46 176.288 177.124 -0.836 1
1 628 . 6 1 1 A 50 50 ARG N N 47 118.702 122.598 -3.896 1
1 629 . 6 1 1 A 50 50 ARG H H 47 8.626 7.982 0.644 1
1 630 . 6 1 1 A 50 50 ARG CA C 47 58.983 59.221 -0.238 1
1 631 . 6 1 1 A 50 50 ARG HA H 47 4.058 4.068 -0.010 1
1 632 . 6 1 1 A 50 50 ARG CB C 47 29.512 30.248 -0.736 1
1 648 . 6 1 1 A 50 50 ARG C C 47 179.270 177.991 1.279 1
1 649 . 6 1 1 A 51 51 SER N N 48 114.502 114.380 0.122 1
1 650 . 6 1 1 A 51 51 SER H H 48 7.514 7.941 -0.427 1
1 651 . 6 1 1 A 51 51 SER CA C 48 61.745 61.728 0.017 1
1 652 . 6 1 1 A 51 51 SER HA H 48 4.308 4.221 0.087 1
1 653 . 6 1 1 A 51 51 SER CB C 48 62.780 63.340 -0.560 1
1 656 . 6 1 1 A 51 51 SER C C 48 176.764 177.414 -0.650 1
1 657 . 6 1 1 A 52 52 VAL N N 49 113.832 120.629 -6.797 1
1 658 . 6 1 1 A 52 52 VAL H H 49 7.511 7.963 -0.452 1
1 659 . 6 1 1 A 52 52 VAL CA C 49 60.751 63.896 -3.145 1
1 660 . 6 1 1 A 52 52 VAL HA H 49 3.760 3.569 0.191 1
1 661 . 6 1 1 A 52 52 VAL CB C 49 30.719 31.469 -0.750 1
1 671 . 6 1 1 A 52 52 VAL C C 49 173.462 175.018 -1.556 1
1 672 . 6 1 1 A 53 53 SER N N 50 112.698 115.311 -2.613 1
1 673 . 6 1 1 A 53 53 SER H H 50 7.653 7.993 -0.340 1
1 674 . 6 1 1 A 53 53 SER CA C 50 59.025 59.756 -0.731 1
1 675 . 6 1 1 A 53 53 SER HA H 50 3.911 4.125 -0.214 1
1 676 . 6 1 1 A 53 53 SER CB C 50 60.895 61.230 -0.335 1
1 679 . 6 1 1 A 53 53 SER C C 50 174.065 173.524 0.541 1
1 680 . 6 1 1 A 54 54 PHE N N 51 120.132 120.402 -0.270 1
1 681 . 6 1 1 A 54 54 PHE H H 51 8.332 7.858 0.474 1
1 682 . 6 1 1 A 54 54 PHE CA C 51 51.743 56.573 -4.830 1
1 683 . 6 1 1 A 54 54 PHE HA H 51 5.171 4.570 0.601 1
1 684 . 6 1 1 A 54 54 PHE CB C 51 37.762 39.094 -1.332 1
1 696 . 6 1 1 A 55 55 PRO CA C 52 62.176 62.667 -0.491 1
1 697 . 6 1 1 A 55 55 PRO HA H 52 4.417 4.675 -0.258 1
1 698 . 6 1 1 A 55 55 PRO CB C 52 31.347 31.647 -0.300 1
1 706 . 6 1 1 A 55 55 PRO C C 52 176.296 177.014 -0.718 1
1 707 . 6 1 1 A 56 56 VAL N N 53 109.933 125.386 -15.453 1
1 708 . 6 1 1 A 56 56 VAL H H 53 7.986 8.747 -0.761 1
1 709 . 6 1 1 A 56 56 VAL CA C 53 59.863 62.192 -2.329 1
1 710 . 6 1 1 A 56 56 VAL HA H 53 4.404 4.431 -0.027 1
1 711 . 6 1 1 A 56 56 VAL CB C 53 31.483 32.236 -0.753 1
1 721 . 6 1 1 A 56 56 VAL C C 53 175.074 176.618 -1.544 1
1 722 . 6 1 1 A 57 57 SER N N 54 114.614 118.066 -3.452 1
1 723 . 6 1 1 A 57 57 SER H H 54 7.304 7.978 -0.674 1
1 724 . 6 1 1 A 57 57 SER CA C 54 57.295 58.081 -0.786 1
1 725 . 6 1 1 A 57 57 SER HA H 54 4.363 4.783 -0.420 1
1 726 . 6 1 1 A 57 57 SER CB C 54 63.351 63.638 -0.287 1
1 729 . 6 1 1 A 57 57 SER C C 54 174.225 174.823 -0.598 1
1 730 . 6 1 1 A 58 58 GLY N N 55 110.300 109.703 0.597 1
1 731 . 6 1 1 A 58 58 GLY H H 55 8.545 8.014 0.531 1
1 732 . 6 1 1 A 58 58 GLY CA C 55 43.806 46.298 -2.492 1
1 733 . 6 1 1 A 58 58 GLY HA2 H 55 4.009 3.916 0.093 1
1 734 . 6 1 1 A 58 58 GLY HA3 H 55 3.715 3.924 -0.209 1
1 735 . 6 1 1 A 58 58 GLY C C 55 172.483 174.160 -1.677 1
1 736 . 6 1 1 A 59 59 ARG N N 56 116.392 118.284 -1.892 1
1 737 . 6 1 1 A 59 59 ARG H H 56 7.913 7.637 0.276 1
1 738 . 6 1 1 A 59 59 ARG CA C 56 54.769 55.487 -0.718 1
1 739 . 6 1 1 A 59 59 ARG HA H 56 4.371 4.684 -0.313 1
1 740 . 6 1 1 A 59 59 ARG CB C 56 30.447 33.774 -3.327 1
1 752 . 6 1 1 A 59 59 ARG C C 56 176.019 175.740 0.279 1
1 753 . 6 1 1 A 60 60 LYS N N 57 122.009 123.840 -1.831 1
1 754 . 6 1 1 A 60 60 LYS H H 57 8.811 8.780 0.031 1
1 755 . 6 1 1 A 60 60 LYS CA C 57 61.236 59.190 2.046 1
1 756 . 6 1 1 A 60 60 LYS HA H 57 3.606 4.034 -0.428 1
1 757 . 6 1 1 A 60 60 LYS CB C 57 32.419 31.957 0.462 1
1 769 . 6 1 1 A 60 60 LYS C C 57 176.824 178.097 -1.273 1
1 770 . 6 1 1 A 61 61 ALA N N 58 116.880 121.935 -5.055 1
1 771 . 6 1 1 A 61 61 ALA H H 58 8.794 7.984 0.810 1
1 772 . 6 1 1 A 61 61 ALA CA C 58 54.617 55.281 -0.664 1
1 773 . 6 1 1 A 61 61 ALA HA H 58 4.129 4.309 -0.180 1
1 777 . 6 1 1 A 61 61 ALA CB C 58 18.103 18.228 -0.125 1
1 778 . 6 1 1 A 61 61 ALA C C 58 179.574 180.495 -0.921 1
1 779 . 6 1 1 A 62 62 VAL N N 59 117.408 118.530 -1.122 1
1 780 . 6 1 1 A 62 62 VAL H H 59 7.047 7.922 -0.875 1
1 781 . 6 1 1 A 62 62 VAL CA C 59 64.864 66.953 -2.089 1
1 782 . 6 1 1 A 62 62 VAL HA H 59 3.701 3.542 0.159 1
1 783 . 6 1 1 A 62 62 VAL CB C 59 31.301 31.648 -0.347 1
1 793 . 6 1 1 A 62 62 VAL C C 59 178.103 178.153 -0.050 1
1 794 . 6 1 1 A 63 63 LEU N N 60 119.573 119.089 0.484 1
1 795 . 6 1 1 A 63 63 LEU H H 60 7.585 8.463 -0.878 1
1 796 . 6 1 1 A 63 63 LEU CA C 60 57.571 58.362 -0.791 1
1 797 . 6 1 1 A 63 63 LEU HA H 60 3.923 3.949 -0.026 1
1 798 . 6 1 1 A 63 63 LEU CB C 60 41.711 41.634 0.077 1
1 810 . 6 1 1 A 63 63 LEU C C 60 178.692 179.048 -0.356 1
1 811 . 6 1 1 A 64 64 GLN N N 61 114.206 117.331 -3.125 1
1 812 . 6 1 1 A 64 64 GLN H H 61 8.373 8.688 -0.315 1
1 813 . 6 1 1 A 64 64 GLN CA C 61 58.039 58.478 -0.439 1
1 814 . 6 1 1 A 64 64 GLN HA H 61 4.090 4.061 0.029 1
1 815 . 6 1 1 A 64 64 GLN CB C 61 28.670 28.578 0.092 1
1 821 . 6 1 1 A 64 64 GLN C C 61 178.207 177.416 0.791 1
1 822 . 6 1 1 A 65 65 ASP N N 62 118.671 120.403 -1.732 1
1 823 . 6 1 1 A 65 65 ASP H H 62 7.973 7.971 0.002 1
1 824 . 6 1 1 A 65 65 ASP CA C 62 56.961 57.437 -0.476 1
1 825 . 6 1 1 A 65 65 ASP HA H 62 4.353 4.486 -0.133 1
1 826 . 6 1 1 A 65 65 ASP CB C 62 39.856 40.532 -0.676 1
1 829 . 6 1 1 A 65 65 ASP C C 62 178.113 179.066 -0.953 1
1 830 . 6 1 1 A 66 66 LEU N N 63 119.708 120.819 -1.111 1
1 831 . 6 1 1 A 66 66 LEU H H 63 7.970 8.139 -0.169 1
1 832 . 6 1 1 A 66 66 LEU CA C 63 57.549 58.030 -0.481 1
1 833 . 6 1 1 A 66 66 LEU HA H 63 3.838 4.006 -0.168 1
1 834 . 6 1 1 A 66 66 LEU CB C 63 41.235 42.222 -0.987 1
1 847 . 6 1 1 A 66 66 LEU C C 63 180.041 179.282 0.759 1
1 848 . 6 1 1 A 67 67 ILE N N 64 118.309 119.137 -0.828 1
1 849 . 6 1 1 A 67 67 ILE H H 64 7.555 8.181 -0.626 1
1 850 . 6 1 1 A 67 67 ILE CA C 64 63.895 65.527 -1.632 1
1 851 . 6 1 1 A 67 67 ILE HA H 64 3.794 3.707 0.087 1
1 852 . 6 1 1 A 67 67 ILE CB C 64 37.181 37.985 -0.804 1
1 865 . 6 1 1 A 67 67 ILE C C 64 176.949 178.240 -1.291 1
1 866 . 6 1 1 A 68 68 ARG N N 65 122.359 120.708 1.651 1
1 867 . 6 1 1 A 68 68 ARG H H 65 9.489 8.307 1.182 1
1 868 . 6 1 1 A 68 68 ARG CA C 65 60.488 60.033 0.455 1
1 869 . 6 1 1 A 68 68 ARG HA H 65 3.692 3.846 -0.154 1
1 870 . 6 1 1 A 68 68 ARG CB C 65 29.897 30.568 -0.671 1
1 880 . 6 1 1 A 68 68 ARG C C 65 177.728 179.050 -1.322 1
1 881 . 6 1 1 A 69 69 ASN N N 66 116.248 116.246 0.002 1
1 882 . 6 1 1 A 69 69 ASN H H 66 8.546 8.448 0.098 1
1 883 . 6 1 1 A 69 69 ASN CA C 66 55.945 56.305 -0.360 1
1 884 . 6 1 1 A 69 69 ASN HA H 66 4.391 4.446 -0.055 1
1 885 . 6 1 1 A 69 69 ASN CB C 66 37.828 37.682 0.146 1
1 891 . 6 1 1 A 69 69 ASN C C 66 176.520 178.477 -1.957 1
1 892 . 6 1 1 A 70 70 PHE N N 67 121.134 120.013 1.121 1
1 893 . 6 1 1 A 70 70 PHE H H 67 7.693 8.158 -0.465 1
1 894 . 6 1 1 A 70 70 PHE CA C 67 60.170 60.758 -0.588 1
1 895 . 6 1 1 A 70 70 PHE HA H 67 4.535 4.322 0.213 1
1 896 . 6 1 1 A 70 70 PHE CB C 67 39.838 38.800 1.038 1
1 902 . 6 1 1 A 70 70 PHE C C 67 177.756 178.350 -0.594 1
1 903 . 6 1 1 A 71 71 LEU N N 68 117.959 119.441 -1.482 1
1 904 . 6 1 1 A 71 71 LEU H H 68 8.336 8.459 -0.123 1
1 905 . 6 1 1 A 71 71 LEU CA C 68 57.468 57.984 -0.516 1
1 906 . 6 1 1 A 71 71 LEU HA H 68 3.828 4.060 -0.232 1
1 907 . 6 1 1 A 71 71 LEU CB C 68 42.156 41.520 0.636 1
1 919 . 6 1 1 A 71 71 LEU C C 68 178.037 179.422 -1.385 1
1 920 . 6 1 1 A 72 72 GLN N N 69 117.479 119.244 -1.765 1
1 921 . 6 1 1 A 72 72 GLN H H 69 8.802 8.221 0.581 1
1 922 . 6 1 1 A 72 72 GLN CA C 69 58.632 59.175 -0.543 1
1 923 . 6 1 1 A 72 72 GLN HA H 69 3.906 4.106 -0.200 1
1 924 . 6 1 1 A 72 72 GLN CB C 69 27.010 28.386 -1.376 1
1 933 . 6 1 1 A 72 72 GLN C C 69 179.337 177.792 1.545 1
1 934 . 6 1 1 A 73 73 ASN N N 70 117.551 117.162 0.389 1
1 935 . 6 1 1 A 73 73 ASN H H 70 8.124 8.326 -0.202 1
1 936 . 6 1 1 A 73 73 ASN CA C 70 54.051 54.967 -0.916 1
1 937 . 6 1 1 A 73 73 ASN HA H 70 4.602 4.541 0.061 1
1 938 . 6 1 1 A 73 73 ASN CB C 70 37.810 38.493 -0.683 1
1 944 . 6 1 1 A 73 73 ASN C C 70 175.490 177.790 -2.300 1
1 945 . 6 1 1 A 74 74 ALA N N 71 120.962 120.888 0.074 1
1 946 . 6 1 1 A 74 74 ALA H H 71 7.787 7.679 0.108 1
1 947 . 6 1 1 A 74 74 ALA CA C 71 53.143 54.243 -1.100 1
1 948 . 6 1 1 A 74 74 ALA HA H 71 4.193 4.184 0.009 1
1 952 . 6 1 1 A 74 74 ALA CB C 71 19.064 18.549 0.515 1
1 953 . 6 1 1 A 74 74 ALA C C 71 176.255 177.853 -1.598 1
1 954 . 6 1 1 A 75 75 LEU N N 72 112.822 111.175 1.647 1
1 955 . 6 1 1 A 75 75 LEU H H 72 7.381 7.482 -0.101 1
1 956 . 6 1 1 A 75 75 LEU CA C 72 52.987 53.568 -0.581 1
1 957 . 6 1 1 A 75 75 LEU HA H 72 4.305 4.616 -0.311 1
1 958 . 6 1 1 A 75 75 LEU CB C 72 41.490 41.737 -0.247 1
1 971 . 6 1 1 A 75 75 LEU C C 72 175.867 176.013 -0.146 1
1 972 . 6 1 1 A 76 76 VAL N N 73 120.671 120.164 0.507 1
1 973 . 6 1 1 A 76 76 VAL H H 73 6.797 7.905 -1.108 1
1 974 . 6 1 1 A 76 76 VAL CA C 73 62.994 60.544 2.450 1
1 975 . 6 1 1 A 76 76 VAL HA H 73 3.707 4.490 -0.783 1
1 976 . 6 1 1 A 76 76 VAL CB C 73 32.014 34.394 -2.380 1
1 986 . 6 1 1 A 76 76 VAL C C 73 176.144 175.901 0.243 1
1 987 . 6 1 1 A 77 77 VAL N N 74 128.303 125.712 2.591 1
1 988 . 6 1 1 A 77 77 VAL H H 74 8.407 8.585 -0.178 1
1 989 . 6 1 1 A 77 77 VAL CA C 74 64.673 65.310 -0.637 1
1 990 . 6 1 1 A 77 77 VAL HA H 74 3.651 3.527 0.124 1
1 991 . 6 1 1 A 77 77 VAL CB C 74 30.789 31.388 -0.599 1
1 1001 . 6 1 1 A 77 77 VAL C C 74 176.911 177.378 -0.467 1
1 1002 . 6 1 1 A 78 78 GLY N N 75 116.087 114.954 1.133 1
1 1003 . 6 1 1 A 78 78 GLY H H 75 8.827 8.957 -0.130 1
1 1004 . 6 1 1 A 78 78 GLY CA C 75 45.004 46.066 -1.062 1
1 1005 . 6 1 1 A 78 78 GLY HA2 H 75 4.236 3.916 0.320 1
1 1006 . 6 1 1 A 78 78 GLY HA3 H 75 3.738 3.917 -0.179 1
1 1007 . 6 1 1 A 78 78 GLY C C 75 173.779 174.512 -0.733 1
1 1008 . 6 1 1 A 79 79 LYS N N 76 121.612 121.148 0.464 1
1 1009 . 6 1 1 A 79 79 LYS H H 76 8.140 8.016 0.124 1
1 1010 . 6 1 1 A 79 79 LYS CA C 76 54.078 55.358 -1.280 1
1 1011 . 6 1 1 A 79 79 LYS HA H 76 4.588 4.500 0.088 1
1 1012 . 6 1 1 A 79 79 LYS CB C 76 32.708 33.230 -0.522 1
1 1024 . 6 1 1 A 79 79 LYS C C 76 175.177 175.638 -0.461 1
1 1025 . 6 1 1 A 80 80 SER N N 77 117.166 117.531 -0.365 1
1 1026 . 6 1 1 A 80 80 SER H H 77 8.241 7.575 0.666 1
1 1027 . 6 1 1 A 80 80 SER CA C 77 59.173 58.764 0.409 1
1 1028 . 6 1 1 A 80 80 SER HA H 77 4.356 4.439 -0.083 1
1 1029 . 6 1 1 A 80 80 SER CB C 77 63.288 63.328 -0.040 1
1 1032 . 6 1 1 A 80 80 SER C C 77 174.793 174.062 0.731 1
1 1033 . 6 1 1 A 81 81 ASP N N 78 118.775 125.291 -6.516 1
1 1034 . 6 1 1 A 81 81 ASP H H 78 8.506 8.625 -0.119 1
1 1035 . 6 1 1 A 81 81 ASP CA C 78 50.069 51.403 -1.334 1
1 1036 . 6 1 1 A 81 81 ASP HA H 78 5.423 5.074 0.349 1
1 1037 . 6 1 1 A 81 81 ASP CB C 78 41.498 41.487 0.011 1
1 1041 . 6 1 1 A 82 82 PRO CA C 79 63.656 64.307 -0.651 1
1 1042 . 6 1 1 A 82 82 PRO HA H 79 4.271 4.324 -0.053 1
1 1043 . 6 1 1 A 82 82 PRO CB C 79 31.303 31.818 -0.515 1
1 1051 . 6 1 1 A 82 82 PRO C C 79 178.645 178.089 0.556 1
1 1052 . 6 1 1 A 83 83 TYR N N 80 117.360 117.427 -0.067 1
1 1053 . 6 1 1 A 83 83 TYR H H 80 7.561 7.374 0.187 1
1 1054 . 6 1 1 A 83 83 TYR CA C 80 59.635 61.569 -1.934 1
1 1055 . 6 1 1 A 83 83 TYR HA H 80 4.163 4.424 -0.261 1
1 1056 . 6 1 1 A 83 83 TYR CB C 80 35.602 38.515 -2.913 1
1 1065 . 6 1 1 A 83 83 TYR C C 80 176.904 178.461 -1.557 1
1 1066 . 6 1 1 A 84 84 ARG N N 81 120.833 118.916 1.917 1
1 1067 . 6 1 1 A 84 84 ARG H H 81 7.898 8.320 -0.422 1
1 1068 . 6 1 1 A 84 84 ARG CA C 81 58.332 59.188 -0.856 1
1 1069 . 6 1 1 A 84 84 ARG HA H 81 4.615 3.969 0.646 1
1 1070 . 6 1 1 A 84 84 ARG CB C 81 28.242 29.780 -1.538 1
1 1071 . 6 1 1 A 84 84 ARG C C 81 176.940 179.169 -2.229 1
1 1072 . 6 1 1 A 85 85 VAL N N 82 117.345 120.118 -2.773 1
1 1073 . 6 1 1 A 85 85 VAL H H 82 6.971 8.126 -1.155 1
1 1074 . 6 1 1 A 85 85 VAL CA C 82 65.663 66.901 -1.238 1
1 1075 . 6 1 1 A 85 85 VAL HA H 82 3.417 3.546 -0.129 1
1 1076 . 6 1 1 A 85 85 VAL CB C 82 31.165 31.568 -0.403 1
1 1085 . 6 1 1 A 85 85 VAL C C 82 176.601 177.830 -1.229 1
1 1086 . 6 1 1 A 86 86 GLN N N 83 117.137 120.047 -2.910 1
1 1087 . 6 1 1 A 86 86 GLN H H 83 7.536 8.495 -0.959 1
1 1088 . 6 1 1 A 86 86 GLN CA C 83 58.230 58.485 -0.255 1
1 1089 . 6 1 1 A 86 86 GLN HA H 83 3.953 4.116 -0.163 1
1 1090 . 6 1 1 A 86 86 GLN CB C 83 28.240 28.399 -0.159 1
1 1099 . 6 1 1 A 86 86 GLN C C 83 178.602 178.201 0.401 1
1 1100 . 6 1 1 A 87 87 ALA N N 84 121.452 122.303 -0.851 1
1 1101 . 6 1 1 A 87 87 ALA H H 84 8.843 7.977 0.866 1
1 1102 . 6 1 1 A 87 87 ALA CA C 84 54.905 55.189 -0.284 1
1 1103 . 6 1 1 A 87 87 ALA HA H 84 4.048 4.161 -0.113 1
1 1107 . 6 1 1 A 87 87 ALA CB C 84 18.088 18.620 -0.532 1
1 1108 . 6 1 1 A 87 87 ALA C C 84 178.498 179.884 -1.386 1
1 1109 . 6 1 1 A 88 88 VAL N N 85 117.570 118.281 -0.711 1
1 1110 . 6 1 1 A 88 88 VAL H H 85 8.515 8.425 0.090 1
1 1111 . 6 1 1 A 88 88 VAL CA C 85 67.315 66.483 0.832 1
1 1112 . 6 1 1 A 88 88 VAL HA H 85 3.764 3.493 0.271 1
1 1113 . 6 1 1 A 88 88 VAL CB C 85 30.610 31.676 -1.066 1
1 1123 . 6 1 1 A 88 88 VAL C C 85 177.138 177.790 -0.652 1
1 1124 . 6 1 1 A 89 89 LYS N N 86 120.005 120.607 -0.602 1
1 1125 . 6 1 1 A 89 89 LYS H H 86 8.612 8.319 0.293 1
1 1126 . 6 1 1 A 89 89 LYS CA C 86 60.851 59.518 1.333 1
1 1127 . 6 1 1 A 89 89 LYS HA H 86 3.827 4.040 -0.213 1
1 1128 . 6 1 1 A 89 89 LYS CB C 86 31.974 32.228 -0.254 1
1 1140 . 6 1 1 A 89 89 LYS C C 86 178.096 178.687 -0.591 1
1 1141 . 6 1 1 A 90 90 PHE N N 87 119.839 120.674 -0.835 1
1 1142 . 6 1 1 A 90 90 PHE H H 87 8.184 8.258 -0.074 1
1 1143 . 6 1 1 A 90 90 PHE CA C 87 60.604 61.246 -0.642 1
1 1144 . 6 1 1 A 90 90 PHE HA H 87 4.302 4.139 0.163 1
1 1145 . 6 1 1 A 90 90 PHE CB C 87 38.349 39.546 -1.197 1
1 1154 . 6 1 1 A 90 90 PHE C C 87 177.748 177.382 0.366 1
1 1155 . 6 1 1 A 91 91 LEU N N 88 118.977 119.856 -0.879 1
1 1156 . 6 1 1 A 91 91 LEU H H 88 8.604 8.355 0.249 1
1 1157 . 6 1 1 A 91 91 LEU CA C 88 58.058 58.535 -0.477 1
1 1158 . 6 1 1 A 91 91 LEU HA H 88 3.975 3.920 0.055 1
1 1159 . 6 1 1 A 91 91 LEU CB C 88 41.114 42.291 -1.177 1
1 1169 . 6 1 1 A 91 91 LEU C C 88 178.106 179.195 -1.089 1
1 1170 . 6 1 1 A 92 92 ILE N N 89 118.378 118.674 -0.296 1
1 1171 . 6 1 1 A 92 92 ILE H H 89 8.420 8.305 0.115 1
1 1172 . 6 1 1 A 92 92 ILE CA C 89 65.761 65.747 0.014 1
1 1173 . 6 1 1 A 92 92 ILE HA H 89 3.542 3.453 0.089 1
1 1174 . 6 1 1 A 92 92 ILE CB C 89 37.372 38.167 -0.795 1
1 1184 . 6 1 1 A 92 92 ILE C C 89 176.952 178.171 -1.219 1
1 1185 . 6 1 1 A 93 93 GLU N N 90 120.262 120.719 -0.457 1
1 1186 . 6 1 1 A 93 93 GLU H H 90 8.133 8.215 -0.082 1
1 1187 . 6 1 1 A 93 93 GLU CA C 90 58.766 59.821 -1.055 1
1 1188 . 6 1 1 A 93 93 GLU HA H 90 4.038 3.847 0.191 1
1 1189 . 6 1 1 A 93 93 GLU CB C 90 28.466 28.868 -0.402 1
1 1195 . 6 1 1 A 93 93 GLU C C 90 178.689 178.529 0.160 1
1 1196 . 6 1 1 A 94 94 ARG N N 91 117.630 119.026 -1.396 1
1 1197 . 6 1 1 A 94 94 ARG H H 91 7.952 8.004 -0.052 1
1 1198 . 6 1 1 A 94 94 ARG CA C 91 58.343 58.655 -0.312 1
1 1199 . 6 1 1 A 94 94 ARG HA H 91 3.941 3.923 0.018 1
1 1200 . 6 1 1 A 94 94 ARG CB C 91 29.048 29.945 -0.897 1
1 1215 . 6 1 1 A 94 94 ARG C C 91 178.875 178.868 0.007 1
1 1216 . 6 1 1 A 95 95 ILE N N 92 120.056 119.724 0.332 1
1 1217 . 6 1 1 A 95 95 ILE H H 92 8.225 7.937 0.288 1
1 1218 . 6 1 1 A 95 95 ILE CA C 92 63.296 65.171 -1.875 1
1 1219 . 6 1 1 A 95 95 ILE HA H 92 3.972 3.767 0.205 1
1 1220 . 6 1 1 A 95 95 ILE CB C 92 36.921 36.739 0.182 1
1 1233 . 6 1 1 A 95 95 ILE C C 92 180.242 179.016 1.226 1
1 1234 . 6 1 1 A 96 96 ARG N N 93 121.023 121.102 -0.079 1
1 1235 . 6 1 1 A 96 96 ARG H H 93 8.259 8.146 0.113 1
1 1236 . 6 1 1 A 96 96 ARG CA C 93 58.401 58.776 -0.375 1
1 1237 . 6 1 1 A 96 96 ARG HA H 93 4.068 4.206 -0.138 1
1 1238 . 6 1 1 A 96 96 ARG CB C 93 29.474 30.248 -0.774 1
1 1254 . 6 1 1 A 96 96 ARG C C 93 177.500 176.896 0.604 1
1 1255 . 6 1 1 A 97 97 LYS N N 94 116.750 117.319 -0.569 1
1 1256 . 6 1 1 A 97 97 LYS H H 94 7.527 7.599 -0.072 1
1 1257 . 6 1 1 A 97 97 LYS CA C 94 55.282 55.949 -0.667 1
1 1258 . 6 1 1 A 97 97 LYS HA H 94 4.274 4.387 -0.113 1
1 1259 . 6 1 1 A 97 97 LYS CB C 94 32.112 33.723 -1.611 1
1 1271 . 6 1 1 A 97 97 LYS C C 94 174.901 175.793 -0.892 1
1 1272 . 6 1 1 A 98 98 ASN N N 95 116.979 117.345 -0.366 1
1 1273 . 6 1 1 A 98 98 ASN H H 95 8.150 8.026 0.124 1
1 1274 . 6 1 1 A 98 98 ASN CA C 95 53.822 53.903 -0.081 1
1 1275 . 6 1 1 A 98 98 ASN HA H 95 4.370 4.317 0.053 1
1 1276 . 6 1 1 A 98 98 ASN CB C 95 36.674 37.138 -0.464 1
1 1282 . 6 1 1 A 98 98 ASN C C 95 173.779 174.031 -0.252 1
1 1283 . 6 1 1 A 99 99 GLU N N 96 118.529 119.936 -1.407 1
1 1284 . 6 1 1 A 99 99 GLU H H 96 8.236 8.084 0.152 1
1 1285 . 6 1 1 A 99 99 GLU CA C 96 52.891 53.228 -0.337 1
1 1286 . 6 1 1 A 99 99 GLU HA H 96 4.673 4.807 -0.134 1
1 1287 . 6 1 1 A 99 99 GLU CB C 96 30.358 31.801 -1.443 1
1 1292 . 6 1 1 A 100 100 PRO CA C 97 62.037 62.797 -0.760 1
1 1293 . 6 1 1 A 100 100 PRO HA H 97 4.272 4.771 -0.499 1
1 1294 . 6 1 1 A 100 100 PRO CB C 97 31.609 31.633 -0.024 1
1 1302 . 6 1 1 A 100 100 PRO C C 97 176.184 176.985 -0.801 1
1 1303 . 6 1 1 A 101 101 LEU N N 98 122.794 124.468 -1.674 1
1 1304 . 6 1 1 A 101 101 LEU H H 98 8.832 8.376 0.456 1
1 1305 . 6 1 1 A 101 101 LEU CA C 98 52.524 53.414 -0.890 1
1 1306 . 6 1 1 A 101 101 LEU HA H 98 4.654 4.556 0.098 1
1 1307 . 6 1 1 A 101 101 LEU CB C 98 40.422 42.268 -1.846 1
1 1321 . 6 1 1 A 102 102 PRO CA C 99 61.075 62.220 -1.145 1
1 1322 . 6 1 1 A 102 102 PRO HA H 99 4.629 4.634 -0.005 1
1 1323 . 6 1 1 A 102 102 PRO CB C 99 31.778 33.129 -1.351 1
1 1328 . 6 1 1 A 102 102 PRO C C 99 174.604 176.359 -1.755 1
1 1329 . 6 1 1 A 103 103 VAL N N 100 120.834 120.953 -0.119 1
1 1330 . 6 1 1 A 103 103 VAL H H 100 8.661 8.531 0.130 1
1 1331 . 6 1 1 A 103 103 VAL CA C 100 62.977 62.816 0.161 1
1 1332 . 6 1 1 A 103 103 VAL HA H 100 3.860 4.098 -0.238 1
1 1333 . 6 1 1 A 103 103 VAL CB C 100 31.731 32.027 -0.296 1
1 1342 . 6 1 1 A 103 103 VAL C C 100 177.396 176.198 1.198 1
1 1343 . 6 1 1 A 104 104 TYR N N 101 129.973 127.000 2.973 1
1 1344 . 6 1 1 A 104 104 TYR H H 101 8.487 9.130 -0.643 1
1 1345 . 6 1 1 A 104 104 TYR CA C 101 62.855 61.958 0.897 1
1 1346 . 6 1 1 A 104 104 TYR HA H 101 3.802 4.087 -0.285 1
1 1347 . 6 1 1 A 104 104 TYR CB C 101 38.429 38.764 -0.335 1
1 1356 . 6 1 1 A 104 104 TYR C C 101 175.877 177.611 -1.734 1
1 1357 . 6 1 1 A 105 105 LYS N N 102 117.165 119.125 -1.960 1
1 1358 . 6 1 1 A 105 105 LYS H H 102 8.848 8.231 0.617 1
1 1359 . 6 1 1 A 105 105 LYS CA C 102 59.343 59.641 -0.298 1
1 1360 . 6 1 1 A 105 105 LYS HA H 102 3.810 3.994 -0.184 1
1 1361 . 6 1 1 A 105 105 LYS CB C 102 31.739 32.156 -0.417 1
1 1373 . 6 1 1 A 105 105 LYS C C 102 177.370 178.240 -0.870 1
1 1374 . 6 1 1 A 106 106 ASP N N 103 117.011 120.467 -3.456 1
1 1375 . 6 1 1 A 106 106 ASP H H 103 6.781 8.244 -1.463 1
1 1376 . 6 1 1 A 106 106 ASP CA C 103 56.155 57.755 -1.600 1
1 1377 . 6 1 1 A 106 106 ASP HA H 103 4.454 4.314 0.140 1
1 1378 . 6 1 1 A 106 106 ASP CB C 103 39.467 41.518 -2.051 1
1 1381 . 6 1 1 A 106 106 ASP C C 103 178.180 178.147 0.033 1
1 1382 . 6 1 1 A 107 107 LEU N N 104 124.145 119.886 4.259 1
1 1383 . 6 1 1 A 107 107 LEU H H 104 7.687 8.295 -0.608 1
1 1384 . 6 1 1 A 107 107 LEU CA C 104 56.938 57.969 -1.031 1
1 1385 . 6 1 1 A 107 107 LEU HA H 104 4.000 3.933 0.067 1
1 1386 . 6 1 1 A 107 107 LEU CB C 104 41.707 41.681 0.026 1
1 1399 . 6 1 1 A 107 107 LEU C C 104 176.403 178.691 -2.288 1
1 1400 . 6 1 1 A 108 108 TRP N N 105 120.039 120.476 -0.437 1
1 1401 . 6 1 1 A 108 108 TRP H H 105 9.072 8.198 0.874 1
1 1402 . 6 1 1 A 108 108 TRP CA C 105 62.392 60.680 1.712 1
1 1403 . 6 1 1 A 108 108 TRP HA H 105 3.547 3.957 -0.410 1
1 1404 . 6 1 1 A 108 108 TRP CB C 105 28.316 29.146 -0.830 1
1 1415 . 6 1 1 A 108 108 TRP C C 105 176.983 178.131 -1.148 1
1 1416 . 6 1 1 A 109 109 ASN N N 106 113.557 116.448 -2.891 1
1 1417 . 6 1 1 A 109 109 ASN H H 106 8.058 8.407 -0.349 1
1 1418 . 6 1 1 A 109 109 ASN CA C 106 55.662 55.974 -0.312 1
1 1419 . 6 1 1 A 109 109 ASN HA H 106 3.994 3.772 0.222 1
1 1420 . 6 1 1 A 109 109 ASN CB C 106 37.973 37.485 0.488 1
1 1426 . 6 1 1 A 109 109 ASN C C 106 176.928 177.521 -0.593 1
1 1427 . 6 1 1 A 110 110 ALA N N 107 121.997 122.902 -0.905 1
1 1428 . 6 1 1 A 110 110 ALA H H 107 7.718 7.774 -0.056 1
1 1429 . 6 1 1 A 110 110 ALA CA C 107 54.261 54.967 -0.706 1
1 1430 . 6 1 1 A 110 110 ALA HA H 107 3.979 3.973 0.006 1
1 1434 . 6 1 1 A 110 110 ALA CB C 107 17.322 18.345 -1.023 1
1 1435 . 6 1 1 A 110 110 ALA C C 107 180.452 180.095 0.357 1
1 1436 . 6 1 1 A 111 111 LEU N N 108 119.150 117.841 1.309 1
1 1437 . 6 1 1 A 111 111 LEU H H 108 8.200 8.159 0.041 1
1 1438 . 6 1 1 A 111 111 LEU CA C 108 56.264 57.472 -1.208 1
1 1439 . 6 1 1 A 111 111 LEU HA H 108 3.857 3.971 -0.114 1
1 1440 . 6 1 1 A 111 111 LEU CB C 108 41.134 41.022 0.112 1
1 1453 . 6 1 1 A 111 111 LEU C C 108 178.144 179.233 -1.089 1
1 1454 . 6 1 1 A 112 112 ARG N N 109 117.178 120.260 -3.082 1
1 1455 . 6 1 1 A 112 112 ARG H H 109 7.365 8.014 -0.649 1
1 1456 . 6 1 1 A 112 112 ARG CA C 109 56.443 59.572 -3.129 1
1 1457 . 6 1 1 A 112 112 ARG HA H 109 2.642 3.916 -1.274 1
1 1458 . 6 1 1 A 112 112 ARG CB C 109 28.901 29.509 -0.608 1
1 1469 . 6 1 1 A 112 112 ARG C C 109 176.348 178.674 -2.326 1
1 1470 . 6 1 1 A 113 113 LYS N N 110 118.628 120.307 -1.679 1
1 1471 . 6 1 1 A 113 113 LYS H H 110 7.145 7.755 -0.610 1
1 1472 . 6 1 1 A 113 113 LYS CA C 110 56.410 59.534 -3.124 1
1 1473 . 6 1 1 A 113 113 LYS HA H 110 4.018 4.017 0.001 1
1 1474 . 6 1 1 A 113 113 LYS CB C 110 32.091 31.578 0.513 1
1 1486 . 6 1 1 A 113 113 LYS C C 110 176.164 178.925 -2.761 1
1 5 . 7 1 1 A 2 2 SER N N -2 115.414 121.036 -5.622 1
1 6 . 7 1 1 A 2 2 SER H H -2 8.737 8.678 0.059 1
1 7 . 7 1 1 A 2 2 SER CA C -2 57.710 59.128 -1.418 1
1 8 . 7 1 1 A 2 2 SER HA H -2 4.446 4.666 -0.220 1
1 9 . 7 1 1 A 2 2 SER CB C -2 63.365 66.337 -2.972 1
1 12 . 7 1 1 A 2 2 SER C C -2 173.826 174.040 -0.214 1
1 40 . 7 1 1 A 5 5 ILE N N 2 122.114 119.857 2.257 1
1 41 . 7 1 1 A 5 5 ILE H H 2 8.292 7.472 0.820 1
1 42 . 7 1 1 A 5 5 ILE CA C 2 60.568 59.526 1.042 1
1 43 . 7 1 1 A 5 5 ILE HA H 2 4.102 4.778 -0.676 1
1 44 . 7 1 1 A 5 5 ILE CB C 2 38.417 41.867 -3.450 1
1 57 . 7 1 1 A 5 5 ILE C C 2 174.970 174.264 0.706 1
1 58 . 7 1 1 A 6 6 ASN N N 3 122.794 120.835 1.959 1
1 59 . 7 1 1 A 6 6 ASN H H 3 8.636 8.750 -0.114 1
1 60 . 7 1 1 A 6 6 ASN CA C 3 52.274 53.282 -1.008 1
1 61 . 7 1 1 A 6 6 ASN HA H 3 4.712 5.197 -0.485 1
1 62 . 7 1 1 A 6 6 ASN CB C 3 38.194 42.489 -4.295 1
1 68 . 7 1 1 A 6 6 ASN C C 3 174.766 175.095 -0.329 1
1 69 . 7 1 1 A 7 7 LEU N N 4 123.220 127.681 -4.461 1
1 70 . 7 1 1 A 7 7 LEU H H 4 8.484 9.135 -0.651 1
1 71 . 7 1 1 A 7 7 LEU CA C 4 55.359 57.736 -2.377 1
1 72 . 7 1 1 A 7 7 LEU HA H 4 4.197 4.279 -0.082 1
1 73 . 7 1 1 A 7 7 LEU CB C 4 41.461 41.812 -0.351 1
1 86 . 7 1 1 A 7 7 LEU C C 4 177.248 178.410 -1.162 1
1 87 . 7 1 1 A 8 8 GLU N N 5 119.354 117.830 1.524 1
1 88 . 7 1 1 A 8 8 GLU H H 5 8.455 7.759 0.696 1
1 89 . 7 1 1 A 8 8 GLU CA C 5 56.589 57.949 -1.360 1
1 90 . 7 1 1 A 8 8 GLU HA H 5 4.091 4.357 -0.266 1
1 91 . 7 1 1 A 8 8 GLU CB C 5 29.275 29.561 -0.286 1
1 97 . 7 1 1 A 8 8 GLU C C 5 175.981 176.637 -0.656 1
1 98 . 7 1 1 A 9 9 ASP N N 6 119.780 120.306 -0.526 1
1 99 . 7 1 1 A 9 9 ASP H H 6 8.136 7.991 0.145 1
1 100 . 7 1 1 A 9 9 ASP CA C 6 53.931 53.909 0.022 1
1 101 . 7 1 1 A 9 9 ASP HA H 6 4.492 4.961 -0.469 1
1 102 . 7 1 1 A 9 9 ASP CB C 6 40.360 42.298 -1.938 1
1 105 . 7 1 1 A 9 9 ASP C C 6 175.397 175.696 -0.299 1
1 106 . 7 1 1 A 10 10 TYR N N 7 119.939 119.194 0.745 1
1 107 . 7 1 1 A 10 10 TYR H H 7 7.902 7.958 -0.056 1
1 108 . 7 1 1 A 10 10 TYR CA C 7 57.667 57.038 0.629 1
1 109 . 7 1 1 A 10 10 TYR HA H 7 4.431 4.907 -0.476 1
1 110 . 7 1 1 A 10 10 TYR CB C 7 38.236 40.031 -1.795 1
1 119 . 7 1 1 A 10 10 TYR C C 7 174.898 176.501 -1.603 1
1 120 . 7 1 1 A 11 11 TRP N N 8 122.648 121.678 0.970 1
1 121 . 7 1 1 A 11 11 TRP H H 8 7.917 8.072 -0.155 1
1 122 . 7 1 1 A 11 11 TRP CA C 8 56.562 59.128 -2.566 1
1 123 . 7 1 1 A 11 11 TRP HA H 8 4.578 4.414 0.164 1
1 124 . 7 1 1 A 11 11 TRP CB C 8 29.293 29.926 -0.633 1
1 139 . 7 1 1 A 11 11 TRP C C 8 175.212 175.779 -0.567 1
1 140 . 7 1 1 A 12 12 GLU N N 9 122.189 117.793 4.396 1
1 141 . 7 1 1 A 12 12 GLU H H 9 8.030 7.873 0.157 1
1 142 . 7 1 1 A 12 12 GLU CA C 9 55.743 55.237 0.506 1
1 143 . 7 1 1 A 12 12 GLU HA H 9 4.137 4.696 -0.559 1
1 144 . 7 1 1 A 12 12 GLU CB C 9 30.001 32.354 -2.353 1
1 150 . 7 1 1 A 12 12 GLU C C 9 175.138 175.262 -0.124 1
1 151 . 7 1 1 A 13 13 ASP N N 10 121.099 126.392 -5.293 1
1 152 . 7 1 1 A 13 13 ASP H H 10 8.253 9.051 -0.798 1
1 153 . 7 1 1 A 13 13 ASP CA C 10 53.843 53.710 0.133 1
1 154 . 7 1 1 A 13 13 ASP HA H 10 4.500 5.008 -0.508 1
1 155 . 7 1 1 A 13 13 ASP CB C 10 40.715 42.102 -1.387 1
1 158 . 7 1 1 A 13 13 ASP C C 10 175.700 176.227 -0.527 1
1 159 . 7 1 1 A 14 14 GLU N N 11 121.240 117.274 3.966 1
1 160 . 7 1 1 A 14 14 GLU H H 11 8.435 8.131 0.304 1
1 161 . 7 1 1 A 14 14 GLU CA C 11 55.858 55.950 -0.092 1
1 162 . 7 1 1 A 14 14 GLU HA H 11 4.289 4.389 -0.100 1
1 163 . 7 1 1 A 14 14 GLU CB C 11 29.758 29.023 0.735 1
1 169 . 7 1 1 A 14 14 GLU C C 11 176.002 175.599 0.403 1
1 170 . 7 1 1 A 15 15 THR N N 12 118.367 114.445 3.922 1
1 171 . 7 1 1 A 15 15 THR H H 12 8.407 7.465 0.942 1
1 172 . 7 1 1 A 15 15 THR CA C 12 59.646 57.599 2.047 1
1 173 . 7 1 1 A 15 15 THR HA H 12 4.503 4.806 -0.303 1
1 174 . 7 1 1 A 15 15 THR CB C 12 69.084 70.949 -1.865 1
1 181 . 7 1 1 A 16 16 PRO CA C 13 62.791 62.273 0.518 1
1 182 . 7 1 1 A 16 16 PRO HA H 13 4.408 4.601 -0.193 1
1 183 . 7 1 1 A 16 16 PRO CB C 13 31.771 33.359 -1.588 1
1 191 . 7 1 1 A 16 16 PRO C C 13 176.689 175.809 0.880 1
1 192 . 7 1 1 A 17 17 GLY N N 14 109.540 106.307 3.233 1
1 193 . 7 1 1 A 17 17 GLY H H 14 8.423 8.346 0.077 1
1 194 . 7 1 1 A 17 17 GLY CA C 14 44.219 45.830 -1.611 1
1 195 . 7 1 1 A 17 17 GLY HA2 H 14 4.010 4.414 -0.404 1
1 196 . 7 1 1 A 17 17 GLY HA3 H 14 4.159 4.416 -0.257 1
1 198 . 7 1 1 A 18 18 PRO CA C 15 62.843 62.889 -0.046 1
1 199 . 7 1 1 A 18 18 PRO HA H 15 4.412 4.628 -0.216 1
1 200 . 7 1 1 A 18 18 PRO CB C 15 31.667 32.759 -1.092 1
1 208 . 7 1 1 A 18 18 PRO C C 15 176.447 175.867 0.580 1
1 209 . 7 1 1 A 19 19 ASP N N 16 119.197 119.556 -0.359 1
1 210 . 7 1 1 A 19 19 ASP H H 16 8.517 8.361 0.156 1
1 211 . 7 1 1 A 19 19 ASP CA C 16 53.940 53.688 0.252 1
1 212 . 7 1 1 A 19 19 ASP HA H 16 4.559 4.677 -0.118 1
1 213 . 7 1 1 A 19 19 ASP CB C 16 40.180 40.400 -0.220 1
1 216 . 7 1 1 A 19 19 ASP C C 16 175.764 175.882 -0.118 1
1 217 . 7 1 1 A 20 20 ARG N N 17 120.435 117.326 3.109 1
1 218 . 7 1 1 A 20 20 ARG H H 17 8.201 7.999 0.202 1
1 219 . 7 1 1 A 20 20 ARG CA C 17 55.216 56.982 -1.766 1
1 220 . 7 1 1 A 20 20 ARG HA H 17 4.356 4.523 -0.167 1
1 221 . 7 1 1 A 20 20 ARG CB C 17 30.184 32.614 -2.430 1
1 237 . 7 1 1 A 20 20 ARG C C 17 175.724 175.413 0.311 1
1 238 . 7 1 1 A 21 21 GLU N N 18 122.477 117.187 5.290 1
1 239 . 7 1 1 A 21 21 GLU H H 18 8.371 7.666 0.705 1
1 240 . 7 1 1 A 21 21 GLU CA C 18 53.658 55.558 -1.900 1
1 241 . 7 1 1 A 21 21 GLU HA H 18 4.657 4.480 0.177 1
1 242 . 7 1 1 A 21 21 GLU CB C 18 28.984 29.989 -1.005 1
1 249 . 7 1 1 A 22 22 PRO CA C 19 62.442 62.512 -0.070 1
1 250 . 7 1 1 A 22 22 PRO HA H 19 4.516 4.630 -0.114 1
1 251 . 7 1 1 A 22 22 PRO CB C 19 31.903 32.394 -0.491 1
1 259 . 7 1 1 A 22 22 PRO C C 19 176.323 176.249 0.074 1
1 260 . 7 1 1 A 23 23 THR N N 20 112.531 111.666 0.865 1
1 261 . 7 1 1 A 23 23 THR H H 20 7.946 8.335 -0.389 1
1 262 . 7 1 1 A 23 23 THR CA C 20 60.521 59.831 0.690 1
1 263 . 7 1 1 A 23 23 THR HA H 20 4.373 4.812 -0.439 1
1 264 . 7 1 1 A 23 23 THR CB C 20 70.238 71.761 -1.523 1
1 270 . 7 1 1 A 23 23 THR C C 20 174.678 175.255 -0.577 1
1 271 . 7 1 1 A 24 24 ASN N N 21 120.631 121.368 -0.737 1
1 272 . 7 1 1 A 24 24 ASN H H 21 8.958 9.133 -0.175 1
1 273 . 7 1 1 A 24 24 ASN CA C 21 54.854 56.913 -2.059 1
1 274 . 7 1 1 A 24 24 ASN HA H 21 4.467 4.288 0.179 1
1 275 . 7 1 1 A 24 24 ASN CB C 21 37.535 38.816 -1.281 1
1 281 . 7 1 1 A 24 24 ASN C C 21 176.397 176.947 -0.550 1
1 282 . 7 1 1 A 25 25 GLU N N 22 120.237 119.296 0.941 1
1 283 . 7 1 1 A 25 25 GLU H H 22 8.644 8.300 0.344 1
1 284 . 7 1 1 A 25 25 GLU CA C 22 59.195 59.121 0.074 1
1 285 . 7 1 1 A 25 25 GLU HA H 22 4.076 4.148 -0.072 1
1 286 . 7 1 1 A 25 25 GLU CB C 22 28.567 29.512 -0.945 1
1 292 . 7 1 1 A 25 25 GLU C C 22 177.942 178.767 -0.825 1
1 293 . 7 1 1 A 26 26 LEU N N 23 122.376 121.386 0.990 1
1 294 . 7 1 1 A 26 26 LEU H H 23 8.109 7.998 0.111 1
1 295 . 7 1 1 A 26 26 LEU CA C 23 56.940 58.160 -1.220 1
1 296 . 7 1 1 A 26 26 LEU HA H 23 4.247 4.022 0.225 1
1 297 . 7 1 1 A 26 26 LEU CB C 23 40.425 41.903 -1.478 1
1 310 . 7 1 1 A 26 26 LEU C C 23 178.298 178.318 -0.020 1
1 311 . 7 1 1 A 27 27 ARG N N 24 118.606 118.213 0.393 1
1 312 . 7 1 1 A 27 27 ARG H H 24 8.225 8.229 -0.004 1
1 313 . 7 1 1 A 27 27 ARG CA C 24 59.892 58.900 0.992 1
1 314 . 7 1 1 A 27 27 ARG HA H 24 3.875 4.051 -0.176 1
1 315 . 7 1 1 A 27 27 ARG CB C 24 28.853 29.680 -0.827 1
1 331 . 7 1 1 A 27 27 ARG C C 24 178.374 178.528 -0.154 1
1 332 . 7 1 1 A 28 28 ASN N N 25 117.812 118.586 -0.774 1
1 333 . 7 1 1 A 28 28 ASN H H 25 8.146 8.256 -0.110 1
1 334 . 7 1 1 A 28 28 ASN CA C 25 55.753 56.348 -0.595 1
1 335 . 7 1 1 A 28 28 ASN HA H 25 4.452 4.446 0.006 1
1 336 . 7 1 1 A 28 28 ASN CB C 25 37.388 38.894 -1.506 1
1 342 . 7 1 1 A 28 28 ASN C C 25 177.043 177.983 -0.940 1
1 343 . 7 1 1 A 29 29 GLU N N 26 121.177 118.060 3.117 1
1 344 . 7 1 1 A 29 29 GLU H H 26 8.247 8.588 -0.341 1
1 345 . 7 1 1 A 29 29 GLU CA C 26 58.897 59.227 -0.330 1
1 346 . 7 1 1 A 29 29 GLU HA H 26 4.075 4.103 -0.028 1
1 347 . 7 1 1 A 29 29 GLU CB C 26 29.202 29.628 -0.426 1
1 353 . 7 1 1 A 29 29 GLU C C 26 180.215 179.820 0.395 1
1 354 . 7 1 1 A 30 30 VAL N N 27 123.509 121.332 2.177 1
1 355 . 7 1 1 A 30 30 VAL H H 27 8.793 7.964 0.829 1
1 356 . 7 1 1 A 30 30 VAL CA C 27 68.051 66.745 1.306 1
1 357 . 7 1 1 A 30 30 VAL HA H 27 3.413 3.520 -0.107 1
1 358 . 7 1 1 A 30 30 VAL CB C 27 31.196 31.765 -0.569 1
1 368 . 7 1 1 A 30 30 VAL C C 27 176.589 177.855 -1.266 1
1 369 . 7 1 1 A 31 31 GLU N N 28 119.159 118.565 0.594 1
1 370 . 7 1 1 A 31 31 GLU H H 28 8.042 8.695 -0.653 1
1 371 . 7 1 1 A 31 31 GLU CA C 28 59.379 59.887 -0.508 1
1 372 . 7 1 1 A 31 31 GLU HA H 28 3.946 3.927 0.019 1
1 373 . 7 1 1 A 31 31 GLU CB C 28 28.603 29.210 -0.607 1
1 379 . 7 1 1 A 31 31 GLU C C 28 179.282 179.090 0.192 1
1 380 . 7 1 1 A 32 32 GLU N N 29 118.871 120.579 -1.708 1
1 381 . 7 1 1 A 32 32 GLU H H 29 8.550 8.234 0.316 1
1 382 . 7 1 1 A 32 32 GLU CA C 29 58.770 59.398 -0.628 1
1 383 . 7 1 1 A 32 32 GLU HA H 29 4.056 4.087 -0.031 1
1 384 . 7 1 1 A 32 32 GLU CB C 29 29.214 29.820 -0.606 1
1 390 . 7 1 1 A 32 32 GLU C C 29 178.791 179.336 -0.545 1
1 391 . 7 1 1 A 33 33 THR N N 30 117.719 117.075 0.644 1
1 392 . 7 1 1 A 33 33 THR H H 30 8.205 8.177 0.028 1
1 393 . 7 1 1 A 33 33 THR CA C 30 67.465 67.100 0.365 1
1 394 . 7 1 1 A 33 33 THR HA H 30 3.816 3.944 -0.128 1
1 395 . 7 1 1 A 33 33 THR CB C 30 66.888 68.221 -1.333 1
1 401 . 7 1 1 A 33 33 THR C C 30 175.681 176.859 -1.178 1
1 402 . 7 1 1 A 34 34 ILE N N 31 123.925 121.754 2.171 1
1 403 . 7 1 1 A 34 34 ILE H H 31 8.698 8.236 0.462 1
1 404 . 7 1 1 A 34 34 ILE CA C 31 66.438 64.709 1.729 1
1 405 . 7 1 1 A 34 34 ILE HA H 31 3.442 3.728 -0.286 1
1 406 . 7 1 1 A 34 34 ILE CB C 31 37.311 37.340 -0.029 1
1 416 . 7 1 1 A 34 34 ILE C C 31 176.731 178.127 -1.396 1
1 417 . 7 1 1 A 35 35 THR N N 32 116.478 118.595 -2.117 1
1 418 . 7 1 1 A 35 35 THR H H 32 7.956 8.101 -0.145 1
1 419 . 7 1 1 A 35 35 THR CA C 32 66.447 67.158 -0.711 1
1 420 . 7 1 1 A 35 35 THR HA H 32 3.929 3.953 -0.024 1
1 421 . 7 1 1 A 35 35 THR CB C 32 67.964 67.980 -0.016 1
1 427 . 7 1 1 A 35 35 THR C C 32 176.226 176.641 -0.415 1
1 428 . 7 1 1 A 36 36 LEU N N 33 119.834 120.345 -0.511 1
1 429 . 7 1 1 A 36 36 LEU H H 33 7.663 8.158 -0.495 1
1 430 . 7 1 1 A 36 36 LEU CA C 33 57.274 57.829 -0.555 1
1 431 . 7 1 1 A 36 36 LEU HA H 33 4.075 4.059 0.016 1
1 432 . 7 1 1 A 36 36 LEU CB C 33 42.188 41.211 0.977 1
1 445 . 7 1 1 A 36 36 LEU C C 33 179.412 179.902 -0.490 1
1 446 . 7 1 1 A 37 37 MET N N 34 119.993 118.013 1.980 1
1 447 . 7 1 1 A 37 37 MET H H 34 8.509 8.613 -0.104 1
1 448 . 7 1 1 A 37 37 MET CA C 34 57.865 57.949 -0.084 1
1 449 . 7 1 1 A 37 37 MET HA H 34 3.865 4.193 -0.328 1
1 450 . 7 1 1 A 37 37 MET CB C 34 28.735 32.334 -3.599 1
1 460 . 7 1 1 A 37 37 MET C C 34 178.772 178.073 0.699 1
1 461 . 7 1 1 A 38 38 GLU N N 35 120.011 120.678 -0.667 1
1 462 . 7 1 1 A 38 38 GLU H H 35 8.321 8.268 0.053 1
1 463 . 7 1 1 A 38 38 GLU CA C 35 58.442 58.960 -0.518 1
1 464 . 7 1 1 A 38 38 GLU HA H 35 3.928 4.091 -0.163 1
1 465 . 7 1 1 A 38 38 GLU CB C 35 28.943 29.694 -0.751 1
1 471 . 7 1 1 A 38 38 GLU C C 35 176.040 177.852 -1.812 1
1 472 . 7 1 1 A 39 39 LEU N N 36 118.349 117.987 0.362 1
1 473 . 7 1 1 A 39 39 LEU H H 36 7.441 7.251 0.190 1
1 474 . 7 1 1 A 39 39 LEU CA C 36 54.614 54.057 0.557 1
1 475 . 7 1 1 A 39 39 LEU HA H 36 4.393 4.494 -0.101 1
1 476 . 7 1 1 A 39 39 LEU CB C 36 42.210 41.324 0.886 1
1 489 . 7 1 1 A 39 39 LEU C C 36 178.113 176.225 1.888 1
1 490 . 7 1 1 A 40 40 LEU N N 37 118.362 122.112 -3.750 1
1 491 . 7 1 1 A 40 40 LEU H H 37 7.464 7.529 -0.065 1
1 492 . 7 1 1 A 40 40 LEU CA C 37 54.659 55.677 -1.018 1
1 493 . 7 1 1 A 40 40 LEU HA H 37 4.400 4.201 0.199 1
1 494 . 7 1 1 A 40 40 LEU CB C 37 40.993 42.346 -1.353 1
1 507 . 7 1 1 A 40 40 LEU C C 37 177.827 175.777 2.050 1
1 508 . 7 1 1 A 41 41 LYS N N 38 120.851 120.471 0.380 1
1 509 . 7 1 1 A 41 41 LYS H H 38 9.254 8.438 0.816 1
1 510 . 7 1 1 A 41 41 LYS CA C 38 54.727 53.955 0.772 1
1 511 . 7 1 1 A 41 41 LYS HA H 38 4.572 4.887 -0.315 1
1 512 . 7 1 1 A 41 41 LYS CB C 38 33.768 35.448 -1.680 1
1 524 . 7 1 1 A 41 41 LYS C C 38 177.911 177.319 0.592 1
1 525 . 7 1 1 A 42 42 VAL N N 39 122.215 118.619 3.596 1
1 526 . 7 1 1 A 42 42 VAL H H 39 9.039 8.744 0.295 1
1 527 . 7 1 1 A 42 42 VAL CA C 39 67.408 65.387 2.021 1
1 528 . 7 1 1 A 42 42 VAL HA H 39 3.699 3.745 -0.046 1
1 529 . 7 1 1 A 42 42 VAL CB C 39 31.056 31.702 -0.646 1
1 539 . 7 1 1 A 42 42 VAL C C 39 176.560 177.695 -1.135 1
1 540 . 7 1 1 A 43 43 SER N N 40 114.377 116.758 -2.381 1
1 541 . 7 1 1 A 43 43 SER H H 40 8.686 8.112 0.574 1
1 542 . 7 1 1 A 43 43 SER CA C 40 61.144 61.402 -0.258 1
1 543 . 7 1 1 A 43 43 SER HA H 40 3.933 4.055 -0.122 1
1 544 . 7 1 1 A 43 43 SER CB C 40 60.933 63.125 -2.192 1
1 547 . 7 1 1 A 43 43 SER C C 40 175.910 177.227 -1.317 1
1 548 . 7 1 1 A 44 44 GLU N N 41 122.833 122.437 0.396 1
1 549 . 7 1 1 A 44 44 GLU H H 41 6.661 7.730 -1.069 1
1 550 . 7 1 1 A 44 44 GLU CA C 41 57.315 59.293 -1.978 1
1 551 . 7 1 1 A 44 44 GLU HA H 41 4.363 4.070 0.293 1
1 552 . 7 1 1 A 44 44 GLU CB C 41 30.399 29.599 0.800 1
1 558 . 7 1 1 A 44 44 GLU C C 41 178.185 179.268 -1.083 1
1 559 . 7 1 1 A 45 45 LEU N N 42 119.110 120.596 -1.486 1
1 560 . 7 1 1 A 45 45 LEU H H 42 8.393 8.634 -0.241 1
1 561 . 7 1 1 A 45 45 LEU CA C 42 57.359 57.622 -0.263 1
1 562 . 7 1 1 A 45 45 LEU HA H 42 3.918 3.950 -0.032 1
1 563 . 7 1 1 A 45 45 LEU CB C 42 42.476 41.757 0.719 1
1 576 . 7 1 1 A 45 45 LEU C C 42 179.735 179.189 0.546 1
1 577 . 7 1 1 A 46 46 LYS N N 43 118.025 117.261 0.764 1
1 578 . 7 1 1 A 46 46 LYS H H 43 8.596 8.118 0.478 1
1 579 . 7 1 1 A 46 46 LYS CA C 43 60.844 60.373 0.471 1
1 580 . 7 1 1 A 46 46 LYS HA H 43 3.816 3.880 -0.064 1
1 581 . 7 1 1 A 46 46 LYS CB C 43 31.918 32.193 -0.275 1
1 593 . 7 1 1 A 46 46 LYS C C 43 177.672 179.369 -1.697 1
1 594 . 7 1 1 A 47 47 ASP N N 44 119.267 119.491 -0.224 1
1 595 . 7 1 1 A 47 47 ASP H H 44 7.448 8.214 -0.766 1
1 596 . 7 1 1 A 47 47 ASP CA C 44 57.422 57.386 0.036 1
1 597 . 7 1 1 A 47 47 ASP HA H 44 4.555 4.362 0.193 1
1 598 . 7 1 1 A 47 47 ASP CB C 44 39.264 40.772 -1.508 1
1 601 . 7 1 1 A 47 47 ASP C C 44 179.284 178.956 0.328 1
1 602 . 7 1 1 A 48 48 ILE N N 45 120.817 118.985 1.832 1
1 603 . 7 1 1 A 48 48 ILE H H 45 7.871 8.220 -0.349 1
1 604 . 7 1 1 A 48 48 ILE CA C 45 64.604 65.377 -0.773 1
1 605 . 7 1 1 A 48 48 ILE HA H 45 3.653 3.767 -0.114 1
1 606 . 7 1 1 A 48 48 ILE CB C 45 36.293 38.236 -1.943 1
1 619 . 7 1 1 A 48 48 ILE C C 45 177.180 177.625 -0.445 1
1 620 . 7 1 1 A 49 49 CYS N N 46 117.775 119.825 -2.050 1
1 621 . 7 1 1 A 49 49 CYS H H 46 8.543 8.275 0.268 1
1 622 . 7 1 1 A 49 49 CYS CA C 46 64.971 63.630 1.341 1
1 623 . 7 1 1 A 49 49 CYS HA H 46 3.852 3.928 -0.076 1
1 624 . 7 1 1 A 49 49 CYS CB C 46 25.872 26.897 -1.025 1
1 627 . 7 1 1 A 49 49 CYS C C 46 176.288 177.423 -1.135 1
1 628 . 7 1 1 A 50 50 ARG N N 47 118.702 120.633 -1.931 1
1 629 . 7 1 1 A 50 50 ARG H H 47 8.626 8.157 0.469 1
1 630 . 7 1 1 A 50 50 ARG CA C 47 58.983 59.704 -0.721 1
1 631 . 7 1 1 A 50 50 ARG HA H 47 4.058 4.083 -0.025 1
1 632 . 7 1 1 A 50 50 ARG CB C 47 29.512 30.491 -0.979 1
1 648 . 7 1 1 A 50 50 ARG C C 47 179.270 178.469 0.801 1
1 649 . 7 1 1 A 51 51 SER N N 48 114.502 114.324 0.178 1
1 650 . 7 1 1 A 51 51 SER H H 48 7.514 8.429 -0.915 1
1 651 . 7 1 1 A 51 51 SER CA C 48 61.745 61.410 0.335 1
1 652 . 7 1 1 A 51 51 SER HA H 48 4.308 4.265 0.043 1
1 653 . 7 1 1 A 51 51 SER CB C 48 62.780 62.620 0.160 1
1 656 . 7 1 1 A 51 51 SER C C 48 176.764 175.600 1.164 1
1 657 . 7 1 1 A 52 52 VAL N N 49 113.832 118.637 -4.805 1
1 658 . 7 1 1 A 52 52 VAL H H 49 7.511 7.684 -0.173 1
1 659 . 7 1 1 A 52 52 VAL CA C 49 60.751 61.949 -1.198 1
1 660 . 7 1 1 A 52 52 VAL HA H 49 3.760 3.892 -0.132 1
1 661 . 7 1 1 A 52 52 VAL CB C 49 30.719 31.637 -0.918 1
1 671 . 7 1 1 A 52 52 VAL C C 49 173.462 175.293 -1.831 1
1 672 . 7 1 1 A 53 53 SER N N 50 112.698 115.078 -2.380 1
1 673 . 7 1 1 A 53 53 SER H H 50 7.653 8.055 -0.402 1
1 674 . 7 1 1 A 53 53 SER CA C 50 59.025 59.738 -0.713 1
1 675 . 7 1 1 A 53 53 SER HA H 50 3.911 4.165 -0.254 1
1 676 . 7 1 1 A 53 53 SER CB C 50 60.895 61.319 -0.424 1
1 679 . 7 1 1 A 53 53 SER C C 50 174.065 173.479 0.586 1
1 680 . 7 1 1 A 54 54 PHE N N 51 120.132 120.456 -0.324 1
1 681 . 7 1 1 A 54 54 PHE H H 51 8.332 7.945 0.387 1
1 682 . 7 1 1 A 54 54 PHE CA C 51 51.743 56.859 -5.116 1
1 683 . 7 1 1 A 54 54 PHE HA H 51 5.171 4.534 0.637 1
1 684 . 7 1 1 A 54 54 PHE CB C 51 37.762 38.629 -0.867 1
1 696 . 7 1 1 A 55 55 PRO CA C 52 62.176 62.603 -0.427 1
1 697 . 7 1 1 A 55 55 PRO HA H 52 4.417 4.693 -0.276 1
1 698 . 7 1 1 A 55 55 PRO CB C 52 31.347 31.618 -0.271 1
1 706 . 7 1 1 A 55 55 PRO C C 52 176.296 177.069 -0.773 1
1 707 . 7 1 1 A 56 56 VAL N N 53 109.933 125.374 -15.441 1
1 708 . 7 1 1 A 56 56 VAL H H 53 7.986 8.902 -0.916 1
1 709 . 7 1 1 A 56 56 VAL CA C 53 59.863 62.300 -2.437 1
1 710 . 7 1 1 A 56 56 VAL HA H 53 4.404 4.407 -0.003 1
1 711 . 7 1 1 A 56 56 VAL CB C 53 31.483 31.914 -0.431 1
1 721 . 7 1 1 A 56 56 VAL C C 53 175.074 176.705 -1.631 1
1 722 . 7 1 1 A 57 57 SER N N 54 114.614 117.838 -3.224 1
1 723 . 7 1 1 A 57 57 SER H H 54 7.304 8.115 -0.811 1
1 724 . 7 1 1 A 57 57 SER CA C 54 57.295 60.519 -3.224 1
1 725 . 7 1 1 A 57 57 SER HA H 54 4.363 4.472 -0.109 1
1 726 . 7 1 1 A 57 57 SER CB C 54 63.351 63.413 -0.062 1
1 729 . 7 1 1 A 57 57 SER C C 54 174.225 175.745 -1.520 1
1 730 . 7 1 1 A 58 58 GLY N N 55 110.300 109.059 1.241 1
1 731 . 7 1 1 A 58 58 GLY H H 55 8.545 7.822 0.723 1
1 732 . 7 1 1 A 58 58 GLY CA C 55 43.806 44.330 -0.524 1
1 733 . 7 1 1 A 58 58 GLY HA2 H 55 4.009 4.025 -0.016 1
1 734 . 7 1 1 A 58 58 GLY HA3 H 55 3.715 4.032 -0.317 1
1 735 . 7 1 1 A 58 58 GLY C C 55 172.483 173.199 -0.716 1
1 736 . 7 1 1 A 59 59 ARG N N 56 116.392 120.092 -3.700 1
1 737 . 7 1 1 A 59 59 ARG H H 56 7.913 8.658 -0.745 1
1 738 . 7 1 1 A 59 59 ARG CA C 56 54.769 53.826 0.943 1
1 739 . 7 1 1 A 59 59 ARG HA H 56 4.371 4.923 -0.552 1
1 740 . 7 1 1 A 59 59 ARG CB C 56 30.447 33.273 -2.826 1
1 752 . 7 1 1 A 59 59 ARG C C 56 176.019 176.212 -0.193 1
1 753 . 7 1 1 A 60 60 LYS N N 57 122.009 117.756 4.253 1
1 754 . 7 1 1 A 60 60 LYS H H 57 8.811 8.954 -0.143 1
1 755 . 7 1 1 A 60 60 LYS CA C 57 61.236 59.079 2.157 1
1 756 . 7 1 1 A 60 60 LYS HA H 57 3.606 4.047 -0.441 1
1 757 . 7 1 1 A 60 60 LYS CB C 57 32.419 31.910 0.509 1
1 769 . 7 1 1 A 60 60 LYS C C 57 176.824 178.624 -1.800 1
1 770 . 7 1 1 A 61 61 ALA N N 58 116.880 121.699 -4.819 1
1 771 . 7 1 1 A 61 61 ALA H H 58 8.794 7.861 0.933 1
1 772 . 7 1 1 A 61 61 ALA CA C 58 54.617 55.058 -0.441 1
1 773 . 7 1 1 A 61 61 ALA HA H 58 4.129 4.091 0.038 1
1 777 . 7 1 1 A 61 61 ALA CB C 58 18.103 18.533 -0.430 1
1 778 . 7 1 1 A 61 61 ALA C C 58 179.574 180.118 -0.544 1
1 779 . 7 1 1 A 62 62 VAL N N 59 117.408 118.611 -1.203 1
1 780 . 7 1 1 A 62 62 VAL H H 59 7.047 7.669 -0.622 1
1 781 . 7 1 1 A 62 62 VAL CA C 59 64.864 67.053 -2.189 1
1 782 . 7 1 1 A 62 62 VAL HA H 59 3.701 3.553 0.148 1
1 783 . 7 1 1 A 62 62 VAL CB C 59 31.301 31.392 -0.091 1
1 793 . 7 1 1 A 62 62 VAL C C 59 178.103 178.388 -0.285 1
1 794 . 7 1 1 A 63 63 LEU N N 60 119.573 119.635 -0.062 1
1 795 . 7 1 1 A 63 63 LEU H H 60 7.585 8.205 -0.620 1
1 796 . 7 1 1 A 63 63 LEU CA C 60 57.571 58.191 -0.620 1
1 797 . 7 1 1 A 63 63 LEU HA H 60 3.923 3.934 -0.011 1
1 798 . 7 1 1 A 63 63 LEU CB C 60 41.711 41.659 0.052 1
1 810 . 7 1 1 A 63 63 LEU C C 60 178.692 179.003 -0.311 1
1 811 . 7 1 1 A 64 64 GLN N N 61 114.206 117.185 -2.979 1
1 812 . 7 1 1 A 64 64 GLN H H 61 8.373 8.555 -0.182 1
1 813 . 7 1 1 A 64 64 GLN CA C 61 58.039 58.451 -0.412 1
1 814 . 7 1 1 A 64 64 GLN HA H 61 4.090 4.072 0.018 1
1 815 . 7 1 1 A 64 64 GLN CB C 61 28.670 28.442 0.228 1
1 821 . 7 1 1 A 64 64 GLN C C 61 178.207 177.397 0.810 1
1 822 . 7 1 1 A 65 65 ASP N N 62 118.671 120.243 -1.572 1
1 823 . 7 1 1 A 65 65 ASP H H 62 7.973 7.748 0.225 1
1 824 . 7 1 1 A 65 65 ASP CA C 62 56.961 57.265 -0.304 1
1 825 . 7 1 1 A 65 65 ASP HA H 62 4.353 4.471 -0.118 1
1 826 . 7 1 1 A 65 65 ASP CB C 62 39.856 41.050 -1.194 1
1 829 . 7 1 1 A 65 65 ASP C C 62 178.113 178.995 -0.882 1
1 830 . 7 1 1 A 66 66 LEU N N 63 119.708 120.641 -0.933 1
1 831 . 7 1 1 A 66 66 LEU H H 63 7.970 8.206 -0.236 1
1 832 . 7 1 1 A 66 66 LEU CA C 63 57.549 58.071 -0.522 1
1 833 . 7 1 1 A 66 66 LEU HA H 63 3.838 3.959 -0.121 1
1 834 . 7 1 1 A 66 66 LEU CB C 63 41.235 42.200 -0.965 1
1 847 . 7 1 1 A 66 66 LEU C C 63 180.041 179.279 0.762 1
1 848 . 7 1 1 A 67 67 ILE N N 64 118.309 119.541 -1.232 1
1 849 . 7 1 1 A 67 67 ILE H H 64 7.555 8.246 -0.691 1
1 850 . 7 1 1 A 67 67 ILE CA C 64 63.895 65.602 -1.707 1
1 851 . 7 1 1 A 67 67 ILE HA H 64 3.794 3.713 0.081 1
1 852 . 7 1 1 A 67 67 ILE CB C 64 37.181 37.666 -0.485 1
1 865 . 7 1 1 A 67 67 ILE C C 64 176.949 178.109 -1.160 1
1 866 . 7 1 1 A 68 68 ARG N N 65 122.359 120.430 1.929 1
1 867 . 7 1 1 A 68 68 ARG H H 65 9.489 8.327 1.162 1
1 868 . 7 1 1 A 68 68 ARG CA C 65 60.488 59.967 0.521 1
1 869 . 7 1 1 A 68 68 ARG HA H 65 3.692 3.964 -0.272 1
1 870 . 7 1 1 A 68 68 ARG CB C 65 29.897 30.042 -0.145 1
1 880 . 7 1 1 A 68 68 ARG C C 65 177.728 179.194 -1.466 1
1 881 . 7 1 1 A 69 69 ASN N N 66 116.248 116.135 0.113 1
1 882 . 7 1 1 A 69 69 ASN H H 66 8.546 8.560 -0.014 1
1 883 . 7 1 1 A 69 69 ASN CA C 66 55.945 56.307 -0.362 1
1 884 . 7 1 1 A 69 69 ASN HA H 66 4.391 4.449 -0.058 1
1 885 . 7 1 1 A 69 69 ASN CB C 66 37.828 37.737 0.091 1
1 891 . 7 1 1 A 69 69 ASN C C 66 176.520 178.426 -1.906 1
1 892 . 7 1 1 A 70 70 PHE N N 67 121.134 120.501 0.633 1
1 893 . 7 1 1 A 70 70 PHE H H 67 7.693 8.190 -0.497 1
1 894 . 7 1 1 A 70 70 PHE CA C 67 60.170 60.554 -0.384 1
1 895 . 7 1 1 A 70 70 PHE HA H 67 4.535 4.354 0.181 1
1 896 . 7 1 1 A 70 70 PHE CB C 67 39.838 39.183 0.655 1
1 902 . 7 1 1 A 70 70 PHE C C 67 177.756 178.318 -0.562 1
1 903 . 7 1 1 A 71 71 LEU N N 68 117.959 119.697 -1.738 1
1 904 . 7 1 1 A 71 71 LEU H H 68 8.336 8.658 -0.322 1
1 905 . 7 1 1 A 71 71 LEU CA C 68 57.468 57.926 -0.458 1
1 906 . 7 1 1 A 71 71 LEU HA H 68 3.828 4.018 -0.190 1
1 907 . 7 1 1 A 71 71 LEU CB C 68 42.156 41.370 0.786 1
1 919 . 7 1 1 A 71 71 LEU C C 68 178.037 179.384 -1.347 1
1 920 . 7 1 1 A 72 72 GLN N N 69 117.479 117.916 -0.437 1
1 921 . 7 1 1 A 72 72 GLN H H 69 8.802 8.206 0.596 1
1 922 . 7 1 1 A 72 72 GLN CA C 69 58.632 59.189 -0.557 1
1 923 . 7 1 1 A 72 72 GLN HA H 69 3.906 4.051 -0.145 1
1 924 . 7 1 1 A 72 72 GLN CB C 69 27.010 28.096 -1.086 1
1 933 . 7 1 1 A 72 72 GLN C C 69 179.337 177.910 1.427 1
1 934 . 7 1 1 A 73 73 ASN N N 70 117.551 116.383 1.168 1
1 935 . 7 1 1 A 73 73 ASN H H 70 8.124 8.322 -0.198 1
1 936 . 7 1 1 A 73 73 ASN CA C 70 54.051 54.977 -0.926 1
1 937 . 7 1 1 A 73 73 ASN HA H 70 4.602 4.531 0.071 1
1 938 . 7 1 1 A 73 73 ASN CB C 70 37.810 38.562 -0.752 1
1 944 . 7 1 1 A 73 73 ASN C C 70 175.490 177.664 -2.174 1
1 945 . 7 1 1 A 74 74 ALA N N 71 120.962 120.874 0.088 1
1 946 . 7 1 1 A 74 74 ALA H H 71 7.787 7.707 0.080 1
1 947 . 7 1 1 A 74 74 ALA CA C 71 53.143 54.283 -1.140 1
1 948 . 7 1 1 A 74 74 ALA HA H 71 4.193 4.215 -0.022 1
1 952 . 7 1 1 A 74 74 ALA CB C 71 19.064 18.453 0.611 1
1 953 . 7 1 1 A 74 74 ALA C C 71 176.255 177.917 -1.662 1
1 954 . 7 1 1 A 75 75 LEU N N 72 112.822 111.845 0.977 1
1 955 . 7 1 1 A 75 75 LEU H H 72 7.381 7.521 -0.140 1
1 956 . 7 1 1 A 75 75 LEU CA C 72 52.987 53.445 -0.458 1
1 957 . 7 1 1 A 75 75 LEU HA H 72 4.305 4.599 -0.294 1
1 958 . 7 1 1 A 75 75 LEU CB C 72 41.490 41.913 -0.423 1
1 971 . 7 1 1 A 75 75 LEU C C 72 175.867 176.169 -0.302 1
1 972 . 7 1 1 A 76 76 VAL N N 73 120.671 122.330 -1.659 1
1 973 . 7 1 1 A 76 76 VAL H H 73 6.797 8.068 -1.271 1
1 974 . 7 1 1 A 76 76 VAL CA C 73 62.994 61.154 1.840 1
1 975 . 7 1 1 A 76 76 VAL HA H 73 3.707 4.440 -0.733 1
1 976 . 7 1 1 A 76 76 VAL CB C 73 32.014 32.558 -0.544 1
1 986 . 7 1 1 A 76 76 VAL C C 73 176.144 176.262 -0.118 1
1 987 . 7 1 1 A 77 77 VAL N N 74 128.303 126.656 1.647 1
1 988 . 7 1 1 A 77 77 VAL H H 74 8.407 8.594 -0.187 1
1 989 . 7 1 1 A 77 77 VAL CA C 74 64.673 65.143 -0.470 1
1 990 . 7 1 1 A 77 77 VAL HA H 74 3.651 3.572 0.079 1
1 991 . 7 1 1 A 77 77 VAL CB C 74 30.789 31.339 -0.550 1
1 1001 . 7 1 1 A 77 77 VAL C C 74 176.911 177.103 -0.192 1
1 1002 . 7 1 1 A 78 78 GLY N N 75 116.087 115.487 0.600 1
1 1003 . 7 1 1 A 78 78 GLY H H 75 8.827 8.677 0.150 1
1 1004 . 7 1 1 A 78 78 GLY CA C 75 45.004 45.388 -0.384 1
1 1005 . 7 1 1 A 78 78 GLY HA2 H 75 4.236 3.992 0.244 1
1 1006 . 7 1 1 A 78 78 GLY HA3 H 75 3.738 3.994 -0.256 1
1 1007 . 7 1 1 A 78 78 GLY C C 75 173.779 173.672 0.107 1
1 1008 . 7 1 1 A 79 79 LYS N N 76 121.612 120.941 0.671 1
1 1009 . 7 1 1 A 79 79 LYS H H 76 8.140 8.025 0.115 1
1 1010 . 7 1 1 A 79 79 LYS CA C 76 54.078 57.644 -3.566 1
1 1011 . 7 1 1 A 79 79 LYS HA H 76 4.588 4.638 -0.050 1
1 1012 . 7 1 1 A 79 79 LYS CB C 76 32.708 34.593 -1.885 1
1 1024 . 7 1 1 A 79 79 LYS C C 76 175.177 176.338 -1.161 1
1 1025 . 7 1 1 A 80 80 SER N N 77 117.166 114.011 3.155 1
1 1026 . 7 1 1 A 80 80 SER H H 77 8.241 7.889 0.352 1
1 1027 . 7 1 1 A 80 80 SER CA C 77 59.173 58.790 0.383 1
1 1028 . 7 1 1 A 80 80 SER HA H 77 4.356 4.123 0.233 1
1 1029 . 7 1 1 A 80 80 SER CB C 77 63.288 61.036 2.252 1
1 1032 . 7 1 1 A 80 80 SER C C 77 174.793 173.141 1.652 1
1 1033 . 7 1 1 A 81 81 ASP N N 78 118.775 119.829 -1.054 1
1 1034 . 7 1 1 A 81 81 ASP H H 78 8.506 8.065 0.441 1
1 1035 . 7 1 1 A 81 81 ASP CA C 78 50.069 52.454 -2.385 1
1 1036 . 7 1 1 A 81 81 ASP HA H 78 5.423 4.456 0.967 1
1 1037 . 7 1 1 A 81 81 ASP CB C 78 41.498 40.933 0.565 1
1 1041 . 7 1 1 A 82 82 PRO CA C 79 63.656 64.351 -0.695 1
1 1042 . 7 1 1 A 82 82 PRO HA H 79 4.271 4.353 -0.082 1
1 1043 . 7 1 1 A 82 82 PRO CB C 79 31.303 31.871 -0.568 1
1 1051 . 7 1 1 A 82 82 PRO C C 79 178.645 178.247 0.398 1
1 1052 . 7 1 1 A 83 83 TYR N N 80 117.360 117.722 -0.362 1
1 1053 . 7 1 1 A 83 83 TYR H H 80 7.561 7.352 0.209 1
1 1054 . 7 1 1 A 83 83 TYR CA C 80 59.635 61.359 -1.724 1
1 1055 . 7 1 1 A 83 83 TYR HA H 80 4.163 4.357 -0.194 1
1 1056 . 7 1 1 A 83 83 TYR CB C 80 35.602 38.544 -2.942 1
1 1065 . 7 1 1 A 83 83 TYR C C 80 176.904 178.409 -1.505 1
1 1066 . 7 1 1 A 84 84 ARG N N 81 120.833 119.492 1.341 1
1 1067 . 7 1 1 A 84 84 ARG H H 81 7.898 8.462 -0.564 1
1 1068 . 7 1 1 A 84 84 ARG CA C 81 58.332 59.328 -0.996 1
1 1069 . 7 1 1 A 84 84 ARG HA H 81 4.615 3.981 0.634 1
1 1070 . 7 1 1 A 84 84 ARG CB C 81 28.242 30.340 -2.098 1
1 1071 . 7 1 1 A 84 84 ARG C C 81 176.940 178.972 -2.032 1
1 1072 . 7 1 1 A 85 85 VAL N N 82 117.345 120.020 -2.675 1
1 1073 . 7 1 1 A 85 85 VAL H H 82 6.971 7.996 -1.025 1
1 1074 . 7 1 1 A 85 85 VAL CA C 82 65.663 66.747 -1.084 1
1 1075 . 7 1 1 A 85 85 VAL HA H 82 3.417 3.559 -0.142 1
1 1076 . 7 1 1 A 85 85 VAL CB C 82 31.165 31.650 -0.485 1
1 1085 . 7 1 1 A 85 85 VAL C C 82 176.601 177.774 -1.173 1
1 1086 . 7 1 1 A 86 86 GLN N N 83 117.137 120.280 -3.143 1
1 1087 . 7 1 1 A 86 86 GLN H H 83 7.536 8.557 -1.021 1
1 1088 . 7 1 1 A 86 86 GLN CA C 83 58.230 58.431 -0.201 1
1 1089 . 7 1 1 A 86 86 GLN HA H 83 3.953 4.114 -0.161 1
1 1090 . 7 1 1 A 86 86 GLN CB C 83 28.240 28.583 -0.343 1
1 1099 . 7 1 1 A 86 86 GLN C C 83 178.602 178.009 0.593 1
1 1100 . 7 1 1 A 87 87 ALA N N 84 121.452 122.245 -0.793 1
1 1101 . 7 1 1 A 87 87 ALA H H 84 8.843 8.260 0.583 1
1 1102 . 7 1 1 A 87 87 ALA CA C 84 54.905 55.170 -0.265 1
1 1103 . 7 1 1 A 87 87 ALA HA H 84 4.048 4.169 -0.121 1
1 1107 . 7 1 1 A 87 87 ALA CB C 84 18.088 18.538 -0.450 1
1 1108 . 7 1 1 A 87 87 ALA C C 84 178.498 179.797 -1.299 1
1 1109 . 7 1 1 A 88 88 VAL N N 85 117.570 118.427 -0.857 1
1 1110 . 7 1 1 A 88 88 VAL H H 85 8.515 8.209 0.306 1
1 1111 . 7 1 1 A 88 88 VAL CA C 85 67.315 66.415 0.900 1
1 1112 . 7 1 1 A 88 88 VAL HA H 85 3.764 3.400 0.364 1
1 1113 . 7 1 1 A 88 88 VAL CB C 85 30.610 31.494 -0.884 1
1 1123 . 7 1 1 A 88 88 VAL C C 85 177.138 178.092 -0.954 1
1 1124 . 7 1 1 A 89 89 LYS N N 86 120.005 120.460 -0.455 1
1 1125 . 7 1 1 A 89 89 LYS H H 86 8.612 8.412 0.200 1
1 1126 . 7 1 1 A 89 89 LYS CA C 86 60.851 59.233 1.618 1
1 1127 . 7 1 1 A 89 89 LYS HA H 86 3.827 3.965 -0.138 1
1 1128 . 7 1 1 A 89 89 LYS CB C 86 31.974 32.197 -0.223 1
1 1140 . 7 1 1 A 89 89 LYS C C 86 178.096 178.719 -0.623 1
1 1141 . 7 1 1 A 90 90 PHE N N 87 119.839 120.363 -0.524 1
1 1142 . 7 1 1 A 90 90 PHE H H 87 8.184 8.081 0.103 1
1 1143 . 7 1 1 A 90 90 PHE CA C 87 60.604 61.288 -0.684 1
1 1144 . 7 1 1 A 90 90 PHE HA H 87 4.302 4.184 0.118 1
1 1145 . 7 1 1 A 90 90 PHE CB C 87 38.349 39.461 -1.112 1
1 1154 . 7 1 1 A 90 90 PHE C C 87 177.748 177.849 -0.101 1
1 1155 . 7 1 1 A 91 91 LEU N N 88 118.977 119.946 -0.969 1
1 1156 . 7 1 1 A 91 91 LEU H H 88 8.604 8.503 0.101 1
1 1157 . 7 1 1 A 91 91 LEU CA C 88 58.058 58.501 -0.443 1
1 1158 . 7 1 1 A 91 91 LEU HA H 88 3.975 3.825 0.150 1
1 1159 . 7 1 1 A 91 91 LEU CB C 88 41.114 42.210 -1.096 1
1 1169 . 7 1 1 A 91 91 LEU C C 88 178.106 179.166 -1.060 1
1 1170 . 7 1 1 A 92 92 ILE N N 89 118.378 118.660 -0.282 1
1 1171 . 7 1 1 A 92 92 ILE H H 89 8.420 8.443 -0.023 1
1 1172 . 7 1 1 A 92 92 ILE CA C 89 65.761 65.779 -0.018 1
1 1173 . 7 1 1 A 92 92 ILE HA H 89 3.542 3.490 0.052 1
1 1174 . 7 1 1 A 92 92 ILE CB C 89 37.372 37.973 -0.601 1
1 1184 . 7 1 1 A 92 92 ILE C C 89 176.952 178.318 -1.366 1
1 1185 . 7 1 1 A 93 93 GLU N N 90 120.262 120.630 -0.368 1
1 1186 . 7 1 1 A 93 93 GLU H H 90 8.133 8.237 -0.104 1
1 1187 . 7 1 1 A 93 93 GLU CA C 90 58.766 59.965 -1.199 1
1 1188 . 7 1 1 A 93 93 GLU HA H 90 4.038 3.844 0.194 1
1 1189 . 7 1 1 A 93 93 GLU CB C 90 28.466 29.048 -0.582 1
1 1195 . 7 1 1 A 93 93 GLU C C 90 178.689 178.561 0.128 1
1 1196 . 7 1 1 A 94 94 ARG N N 91 117.630 119.368 -1.738 1
1 1197 . 7 1 1 A 94 94 ARG H H 91 7.952 8.043 -0.091 1
1 1198 . 7 1 1 A 94 94 ARG CA C 91 58.343 58.741 -0.398 1
1 1199 . 7 1 1 A 94 94 ARG HA H 91 3.941 3.979 -0.038 1
1 1200 . 7 1 1 A 94 94 ARG CB C 91 29.048 29.805 -0.757 1
1 1215 . 7 1 1 A 94 94 ARG C C 91 178.875 179.179 -0.304 1
1 1216 . 7 1 1 A 95 95 ILE N N 92 120.056 119.730 0.326 1
1 1217 . 7 1 1 A 95 95 ILE H H 92 8.225 7.952 0.273 1
1 1218 . 7 1 1 A 95 95 ILE CA C 92 63.296 64.624 -1.328 1
1 1219 . 7 1 1 A 95 95 ILE HA H 92 3.972 3.788 0.184 1
1 1220 . 7 1 1 A 95 95 ILE CB C 92 36.921 36.841 0.080 1
1 1233 . 7 1 1 A 95 95 ILE C C 92 180.242 178.649 1.593 1
1 1234 . 7 1 1 A 96 96 ARG N N 93 121.023 120.887 0.136 1
1 1235 . 7 1 1 A 96 96 ARG H H 93 8.259 8.062 0.197 1
1 1236 . 7 1 1 A 96 96 ARG CA C 93 58.401 58.828 -0.427 1
1 1237 . 7 1 1 A 96 96 ARG HA H 93 4.068 4.194 -0.126 1
1 1238 . 7 1 1 A 96 96 ARG CB C 93 29.474 30.308 -0.834 1
1 1254 . 7 1 1 A 96 96 ARG C C 93 177.500 177.161 0.339 1
1 1255 . 7 1 1 A 97 97 LYS N N 94 116.750 117.138 -0.388 1
1 1256 . 7 1 1 A 97 97 LYS H H 94 7.527 7.630 -0.103 1
1 1257 . 7 1 1 A 97 97 LYS CA C 94 55.282 55.269 0.013 1
1 1258 . 7 1 1 A 97 97 LYS HA H 94 4.274 4.385 -0.111 1
1 1259 . 7 1 1 A 97 97 LYS CB C 94 32.112 33.876 -1.764 1
1 1271 . 7 1 1 A 97 97 LYS C C 94 174.901 175.709 -0.808 1
1 1272 . 7 1 1 A 98 98 ASN N N 95 116.979 116.999 -0.020 1
1 1273 . 7 1 1 A 98 98 ASN H H 95 8.150 8.014 0.136 1
1 1274 . 7 1 1 A 98 98 ASN CA C 95 53.822 53.892 -0.070 1
1 1275 . 7 1 1 A 98 98 ASN HA H 95 4.370 4.314 0.056 1
1 1276 . 7 1 1 A 98 98 ASN CB C 95 36.674 37.158 -0.484 1
1 1282 . 7 1 1 A 98 98 ASN C C 95 173.779 174.036 -0.257 1
1 1283 . 7 1 1 A 99 99 GLU N N 96 118.529 120.361 -1.832 1
1 1284 . 7 1 1 A 99 99 GLU H H 96 8.236 8.120 0.116 1
1 1285 . 7 1 1 A 99 99 GLU CA C 96 52.891 53.221 -0.330 1
1 1286 . 7 1 1 A 99 99 GLU HA H 96 4.673 4.801 -0.128 1
1 1287 . 7 1 1 A 99 99 GLU CB C 96 30.358 31.806 -1.448 1
1 1292 . 7 1 1 A 100 100 PRO CA C 97 62.037 62.818 -0.781 1
1 1293 . 7 1 1 A 100 100 PRO HA H 97 4.272 4.792 -0.520 1
1 1294 . 7 1 1 A 100 100 PRO CB C 97 31.609 31.615 -0.006 1
1 1302 . 7 1 1 A 100 100 PRO C C 97 176.184 176.833 -0.649 1
1 1303 . 7 1 1 A 101 101 LEU N N 98 122.794 124.453 -1.659 1
1 1304 . 7 1 1 A 101 101 LEU H H 98 8.832 8.356 0.476 1
1 1305 . 7 1 1 A 101 101 LEU CA C 98 52.524 53.389 -0.865 1
1 1306 . 7 1 1 A 101 101 LEU HA H 98 4.654 4.503 0.151 1
1 1307 . 7 1 1 A 101 101 LEU CB C 98 40.422 42.140 -1.718 1
1 1321 . 7 1 1 A 102 102 PRO CA C 99 61.075 62.228 -1.153 1
1 1322 . 7 1 1 A 102 102 PRO HA H 99 4.629 4.636 -0.007 1
1 1323 . 7 1 1 A 102 102 PRO CB C 99 31.778 33.152 -1.374 1
1 1328 . 7 1 1 A 102 102 PRO C C 99 174.604 176.383 -1.779 1
1 1329 . 7 1 1 A 103 103 VAL N N 100 120.834 120.922 -0.088 1
1 1330 . 7 1 1 A 103 103 VAL H H 100 8.661 8.539 0.122 1
1 1331 . 7 1 1 A 103 103 VAL CA C 100 62.977 62.889 0.088 1
1 1332 . 7 1 1 A 103 103 VAL HA H 100 3.860 4.149 -0.289 1
1 1333 . 7 1 1 A 103 103 VAL CB C 100 31.731 31.930 -0.199 1
1 1342 . 7 1 1 A 103 103 VAL C C 100 177.396 176.248 1.148 1
1 1343 . 7 1 1 A 104 104 TYR N N 101 129.973 126.767 3.206 1
1 1344 . 7 1 1 A 104 104 TYR H H 101 8.487 9.225 -0.738 1
1 1345 . 7 1 1 A 104 104 TYR CA C 101 62.855 61.949 0.906 1
1 1346 . 7 1 1 A 104 104 TYR HA H 101 3.802 4.102 -0.300 1
1 1347 . 7 1 1 A 104 104 TYR CB C 101 38.429 38.781 -0.352 1
1 1356 . 7 1 1 A 104 104 TYR C C 101 175.877 177.616 -1.739 1
1 1357 . 7 1 1 A 105 105 LYS N N 102 117.165 118.973 -1.808 1
1 1358 . 7 1 1 A 105 105 LYS H H 102 8.848 8.152 0.696 1
1 1359 . 7 1 1 A 105 105 LYS CA C 102 59.343 59.437 -0.094 1
1 1360 . 7 1 1 A 105 105 LYS HA H 102 3.810 3.821 -0.011 1
1 1361 . 7 1 1 A 105 105 LYS CB C 102 31.739 32.156 -0.417 1
1 1373 . 7 1 1 A 105 105 LYS C C 102 177.370 178.161 -0.791 1
1 1374 . 7 1 1 A 106 106 ASP N N 103 117.011 120.353 -3.342 1
1 1375 . 7 1 1 A 106 106 ASP H H 103 6.781 8.209 -1.428 1
1 1376 . 7 1 1 A 106 106 ASP CA C 103 56.155 57.765 -1.610 1
1 1377 . 7 1 1 A 106 106 ASP HA H 103 4.454 4.321 0.133 1
1 1378 . 7 1 1 A 106 106 ASP CB C 103 39.467 41.516 -2.049 1
1 1381 . 7 1 1 A 106 106 ASP C C 103 178.180 178.090 0.090 1
1 1382 . 7 1 1 A 107 107 LEU N N 104 124.145 119.848 4.297 1
1 1383 . 7 1 1 A 107 107 LEU H H 104 7.687 8.331 -0.644 1
1 1384 . 7 1 1 A 107 107 LEU CA C 104 56.938 58.105 -1.167 1
1 1385 . 7 1 1 A 107 107 LEU HA H 104 4.000 3.949 0.051 1
1 1386 . 7 1 1 A 107 107 LEU CB C 104 41.707 41.784 -0.077 1
1 1399 . 7 1 1 A 107 107 LEU C C 104 176.403 178.732 -2.329 1
1 1400 . 7 1 1 A 108 108 TRP N N 105 120.039 120.569 -0.530 1
1 1401 . 7 1 1 A 108 108 TRP H H 105 9.072 8.237 0.835 1
1 1402 . 7 1 1 A 108 108 TRP CA C 105 62.392 60.610 1.782 1
1 1403 . 7 1 1 A 108 108 TRP HA H 105 3.547 3.949 -0.402 1
1 1404 . 7 1 1 A 108 108 TRP CB C 105 28.316 29.124 -0.808 1
1 1415 . 7 1 1 A 108 108 TRP C C 105 176.983 178.055 -1.072 1
1 1416 . 7 1 1 A 109 109 ASN N N 106 113.557 116.733 -3.176 1
1 1417 . 7 1 1 A 109 109 ASN H H 106 8.058 8.347 -0.289 1
1 1418 . 7 1 1 A 109 109 ASN CA C 106 55.662 55.880 -0.218 1
1 1419 . 7 1 1 A 109 109 ASN HA H 106 3.994 3.796 0.198 1
1 1420 . 7 1 1 A 109 109 ASN CB C 106 37.973 37.623 0.350 1
1 1426 . 7 1 1 A 109 109 ASN C C 106 176.928 177.355 -0.427 1
1 1427 . 7 1 1 A 110 110 ALA N N 107 121.997 122.403 -0.406 1
1 1428 . 7 1 1 A 110 110 ALA H H 107 7.718 7.772 -0.054 1
1 1429 . 7 1 1 A 110 110 ALA CA C 107 54.261 54.971 -0.710 1
1 1430 . 7 1 1 A 110 110 ALA HA H 107 3.979 3.999 -0.020 1
1 1434 . 7 1 1 A 110 110 ALA CB C 107 17.322 18.359 -1.037 1
1 1435 . 7 1 1 A 110 110 ALA C C 107 180.452 179.953 0.499 1
1 1436 . 7 1 1 A 111 111 LEU N N 108 119.150 117.717 1.433 1
1 1437 . 7 1 1 A 111 111 LEU H H 108 8.200 8.033 0.167 1
1 1438 . 7 1 1 A 111 111 LEU CA C 108 56.264 57.367 -1.103 1
1 1439 . 7 1 1 A 111 111 LEU HA H 108 3.857 3.883 -0.026 1
1 1440 . 7 1 1 A 111 111 LEU CB C 108 41.134 40.880 0.254 1
1 1453 . 7 1 1 A 111 111 LEU C C 108 178.144 179.166 -1.022 1
1 1454 . 7 1 1 A 112 112 ARG N N 109 117.178 120.143 -2.965 1
1 1455 . 7 1 1 A 112 112 ARG H H 109 7.365 7.794 -0.429 1
1 1456 . 7 1 1 A 112 112 ARG CA C 109 56.443 59.593 -3.150 1
1 1457 . 7 1 1 A 112 112 ARG HA H 109 2.642 3.821 -1.179 1
1 1458 . 7 1 1 A 112 112 ARG CB C 109 28.901 29.307 -0.406 1
1 1469 . 7 1 1 A 112 112 ARG C C 109 176.348 178.803 -2.455 1
1 1470 . 7 1 1 A 113 113 LYS N N 110 118.628 119.044 -0.416 1
1 1471 . 7 1 1 A 113 113 LYS H H 110 7.145 7.879 -0.734 1
1 1472 . 7 1 1 A 113 113 LYS CA C 110 56.410 58.538 -2.128 1
1 1473 . 7 1 1 A 113 113 LYS HA H 110 4.018 4.026 -0.008 1
1 1474 . 7 1 1 A 113 113 LYS CB C 110 32.091 32.242 -0.151 1
1 1486 . 7 1 1 A 113 113 LYS C C 110 176.164 179.083 -2.919 1
1 5 . 8 1 1 A 2 2 SER N N -2 115.414 113.471 1.943 1
1 6 . 8 1 1 A 2 2 SER H H -2 8.737 8.700 0.037 1
1 7 . 8 1 1 A 2 2 SER CA C -2 57.710 58.160 -0.450 1
1 8 . 8 1 1 A 2 2 SER HA H -2 4.446 4.724 -0.278 1
1 9 . 8 1 1 A 2 2 SER CB C -2 63.365 65.116 -1.751 1
1 12 . 8 1 1 A 2 2 SER C C -2 173.826 174.581 -0.755 1
1 40 . 8 1 1 A 5 5 ILE N N 2 122.114 116.689 5.425 1
1 41 . 8 1 1 A 5 5 ILE H H 2 8.292 8.462 -0.170 1
1 42 . 8 1 1 A 5 5 ILE CA C 2 60.568 62.367 -1.799 1
1 43 . 8 1 1 A 5 5 ILE HA H 2 4.102 4.350 -0.248 1
1 44 . 8 1 1 A 5 5 ILE CB C 2 38.417 37.113 1.304 1
1 57 . 8 1 1 A 5 5 ILE C C 2 174.970 174.423 0.547 1
1 58 . 8 1 1 A 6 6 ASN N N 3 122.794 125.742 -2.948 1
1 59 . 8 1 1 A 6 6 ASN H H 3 8.636 8.481 0.155 1
1 60 . 8 1 1 A 6 6 ASN CA C 3 52.274 52.843 -0.569 1
1 61 . 8 1 1 A 6 6 ASN HA H 3 4.712 5.181 -0.469 1
1 62 . 8 1 1 A 6 6 ASN CB C 3 38.194 42.081 -3.887 1
1 68 . 8 1 1 A 6 6 ASN C C 3 174.766 175.332 -0.566 1
1 69 . 8 1 1 A 7 7 LEU N N 4 123.220 126.957 -3.737 1
1 70 . 8 1 1 A 7 7 LEU H H 4 8.484 9.020 -0.536 1
1 71 . 8 1 1 A 7 7 LEU CA C 4 55.359 57.647 -2.288 1
1 72 . 8 1 1 A 7 7 LEU HA H 4 4.197 4.287 -0.090 1
1 73 . 8 1 1 A 7 7 LEU CB C 4 41.461 42.047 -0.586 1
1 86 . 8 1 1 A 7 7 LEU C C 4 177.248 178.113 -0.865 1
1 87 . 8 1 1 A 8 8 GLU N N 5 119.354 115.874 3.480 1
1 88 . 8 1 1 A 8 8 GLU H H 5 8.455 7.835 0.620 1
1 89 . 8 1 1 A 8 8 GLU CA C 5 56.589 56.407 0.182 1
1 90 . 8 1 1 A 8 8 GLU HA H 5 4.091 4.465 -0.374 1
1 91 . 8 1 1 A 8 8 GLU CB C 5 29.275 30.411 -1.136 1
1 97 . 8 1 1 A 8 8 GLU C C 5 175.981 175.998 -0.017 1
1 98 . 8 1 1 A 9 9 ASP N N 6 119.780 120.299 -0.519 1
1 99 . 8 1 1 A 9 9 ASP H H 6 8.136 8.411 -0.275 1
1 100 . 8 1 1 A 9 9 ASP CA C 6 53.931 53.751 0.180 1
1 101 . 8 1 1 A 9 9 ASP HA H 6 4.492 4.873 -0.381 1
1 102 . 8 1 1 A 9 9 ASP CB C 6 40.360 42.533 -2.173 1
1 105 . 8 1 1 A 9 9 ASP C C 6 175.397 175.102 0.295 1
1 106 . 8 1 1 A 10 10 TYR N N 7 119.939 119.816 0.123 1
1 107 . 8 1 1 A 10 10 TYR H H 7 7.902 7.768 0.134 1
1 108 . 8 1 1 A 10 10 TYR CA C 7 57.667 57.390 0.277 1
1 109 . 8 1 1 A 10 10 TYR HA H 7 4.431 4.770 -0.339 1
1 110 . 8 1 1 A 10 10 TYR CB C 7 38.236 39.401 -1.165 1
1 119 . 8 1 1 A 10 10 TYR C C 7 174.898 175.871 -0.973 1
1 120 . 8 1 1 A 11 11 TRP N N 8 122.648 122.452 0.196 1
1 121 . 8 1 1 A 11 11 TRP H H 8 7.917 8.294 -0.377 1
1 122 . 8 1 1 A 11 11 TRP CA C 8 56.562 58.716 -2.154 1
1 123 . 8 1 1 A 11 11 TRP HA H 8 4.578 4.819 -0.241 1
1 124 . 8 1 1 A 11 11 TRP CB C 8 29.293 31.511 -2.218 1
1 139 . 8 1 1 A 11 11 TRP C C 8 175.212 175.438 -0.226 1
1 140 . 8 1 1 A 12 12 GLU N N 9 122.189 116.687 5.502 1
1 141 . 8 1 1 A 12 12 GLU H H 9 8.030 7.914 0.116 1
1 142 . 8 1 1 A 12 12 GLU CA C 9 55.743 55.807 -0.064 1
1 143 . 8 1 1 A 12 12 GLU HA H 9 4.137 4.883 -0.746 1
1 144 . 8 1 1 A 12 12 GLU CB C 9 30.001 33.562 -3.561 1
1 150 . 8 1 1 A 12 12 GLU C C 9 175.138 175.029 0.109 1
1 151 . 8 1 1 A 13 13 ASP N N 10 121.099 125.616 -4.517 1
1 152 . 8 1 1 A 13 13 ASP H H 10 8.253 9.098 -0.845 1
1 153 . 8 1 1 A 13 13 ASP CA C 10 53.843 53.812 0.031 1
1 154 . 8 1 1 A 13 13 ASP HA H 10 4.500 5.002 -0.502 1
1 155 . 8 1 1 A 13 13 ASP CB C 10 40.715 42.235 -1.520 1
1 158 . 8 1 1 A 13 13 ASP C C 10 175.700 176.414 -0.714 1
1 159 . 8 1 1 A 14 14 GLU N N 11 121.240 118.008 3.232 1
1 160 . 8 1 1 A 14 14 GLU H H 11 8.435 8.310 0.125 1
1 161 . 8 1 1 A 14 14 GLU CA C 11 55.858 55.771 0.087 1
1 162 . 8 1 1 A 14 14 GLU HA H 11 4.289 4.570 -0.281 1
1 163 . 8 1 1 A 14 14 GLU CB C 11 29.758 29.573 0.185 1
1 169 . 8 1 1 A 14 14 GLU C C 11 176.002 175.465 0.537 1
1 170 . 8 1 1 A 15 15 THR N N 12 118.367 114.866 3.501 1
1 171 . 8 1 1 A 15 15 THR H H 12 8.407 7.617 0.790 1
1 172 . 8 1 1 A 15 15 THR CA C 12 59.646 57.762 1.884 1
1 173 . 8 1 1 A 15 15 THR HA H 12 4.503 4.878 -0.375 1
1 174 . 8 1 1 A 15 15 THR CB C 12 69.084 71.111 -2.027 1
1 181 . 8 1 1 A 16 16 PRO CA C 13 62.791 62.269 0.522 1
1 182 . 8 1 1 A 16 16 PRO HA H 13 4.408 4.570 -0.162 1
1 183 . 8 1 1 A 16 16 PRO CB C 13 31.771 33.228 -1.457 1
1 191 . 8 1 1 A 16 16 PRO C C 13 176.689 176.769 -0.080 1
1 192 . 8 1 1 A 17 17 GLY N N 14 109.540 106.491 3.049 1
1 193 . 8 1 1 A 17 17 GLY H H 14 8.423 8.275 0.148 1
1 194 . 8 1 1 A 17 17 GLY CA C 14 44.219 47.505 -3.286 1
1 195 . 8 1 1 A 17 17 GLY HA2 H 14 4.010 3.846 0.164 1
1 196 . 8 1 1 A 17 17 GLY HA3 H 14 4.159 3.848 0.311 1
1 198 . 8 1 1 A 18 18 PRO CA C 15 62.843 62.847 -0.004 1
1 199 . 8 1 1 A 18 18 PRO HA H 15 4.412 4.685 -0.273 1
1 200 . 8 1 1 A 18 18 PRO CB C 15 31.667 32.584 -0.917 1
1 208 . 8 1 1 A 18 18 PRO C C 15 176.447 175.891 0.556 1
1 209 . 8 1 1 A 19 19 ASP N N 16 119.197 122.597 -3.400 1
1 210 . 8 1 1 A 19 19 ASP H H 16 8.517 8.678 -0.161 1
1 211 . 8 1 1 A 19 19 ASP CA C 16 53.940 53.545 0.395 1
1 212 . 8 1 1 A 19 19 ASP HA H 16 4.559 4.995 -0.436 1
1 213 . 8 1 1 A 19 19 ASP CB C 16 40.180 42.212 -2.032 1
1 216 . 8 1 1 A 19 19 ASP C C 16 175.764 176.138 -0.374 1
1 217 . 8 1 1 A 20 20 ARG N N 17 120.435 119.891 0.544 1
1 218 . 8 1 1 A 20 20 ARG H H 17 8.201 8.063 0.138 1
1 219 . 8 1 1 A 20 20 ARG CA C 17 55.216 58.997 -3.781 1
1 220 . 8 1 1 A 20 20 ARG HA H 17 4.356 4.085 0.271 1
1 221 . 8 1 1 A 20 20 ARG CB C 17 30.184 29.836 0.348 1
1 237 . 8 1 1 A 20 20 ARG C C 17 175.724 176.607 -0.883 1
1 238 . 8 1 1 A 21 21 GLU N N 18 122.477 119.761 2.716 1
1 239 . 8 1 1 A 21 21 GLU H H 18 8.371 7.564 0.807 1
1 240 . 8 1 1 A 21 21 GLU CA C 18 53.658 55.420 -1.762 1
1 241 . 8 1 1 A 21 21 GLU HA H 18 4.657 4.483 0.174 1
1 242 . 8 1 1 A 21 21 GLU CB C 18 28.984 30.112 -1.128 1
1 249 . 8 1 1 A 22 22 PRO CA C 19 62.442 62.820 -0.378 1
1 250 . 8 1 1 A 22 22 PRO HA H 19 4.516 4.698 -0.182 1
1 251 . 8 1 1 A 22 22 PRO CB C 19 31.903 32.331 -0.428 1
1 259 . 8 1 1 A 22 22 PRO C C 19 176.323 176.144 0.179 1
1 260 . 8 1 1 A 23 23 THR N N 20 112.531 117.254 -4.723 1
1 261 . 8 1 1 A 23 23 THR H H 20 7.946 8.527 -0.581 1
1 262 . 8 1 1 A 23 23 THR CA C 20 60.521 60.793 -0.272 1
1 263 . 8 1 1 A 23 23 THR HA H 20 4.373 4.675 -0.302 1
1 264 . 8 1 1 A 23 23 THR CB C 20 70.238 71.266 -1.028 1
1 270 . 8 1 1 A 23 23 THR C C 20 174.678 175.287 -0.609 1
1 271 . 8 1 1 A 24 24 ASN N N 21 120.631 125.173 -4.542 1
1 272 . 8 1 1 A 24 24 ASN H H 21 8.958 9.131 -0.173 1
1 273 . 8 1 1 A 24 24 ASN CA C 21 54.854 57.003 -2.149 1
1 274 . 8 1 1 A 24 24 ASN HA H 21 4.467 4.279 0.188 1
1 275 . 8 1 1 A 24 24 ASN CB C 21 37.535 38.834 -1.299 1
1 281 . 8 1 1 A 24 24 ASN C C 21 176.397 176.944 -0.547 1
1 282 . 8 1 1 A 25 25 GLU N N 22 120.237 119.389 0.848 1
1 283 . 8 1 1 A 25 25 GLU H H 22 8.644 8.249 0.395 1
1 284 . 8 1 1 A 25 25 GLU CA C 22 59.195 58.938 0.257 1
1 285 . 8 1 1 A 25 25 GLU HA H 22 4.076 4.150 -0.074 1
1 286 . 8 1 1 A 25 25 GLU CB C 22 28.567 29.393 -0.826 1
1 292 . 8 1 1 A 25 25 GLU C C 22 177.942 178.730 -0.788 1
1 293 . 8 1 1 A 26 26 LEU N N 23 122.376 121.387 0.989 1
1 294 . 8 1 1 A 26 26 LEU H H 23 8.109 8.034 0.075 1
1 295 . 8 1 1 A 26 26 LEU CA C 23 56.940 58.191 -1.251 1
1 296 . 8 1 1 A 26 26 LEU HA H 23 4.247 3.994 0.253 1
1 297 . 8 1 1 A 26 26 LEU CB C 23 40.425 41.871 -1.446 1
1 310 . 8 1 1 A 26 26 LEU C C 23 178.298 178.343 -0.045 1
1 311 . 8 1 1 A 27 27 ARG N N 24 118.606 118.245 0.361 1
1 312 . 8 1 1 A 27 27 ARG H H 24 8.225 8.239 -0.014 1
1 313 . 8 1 1 A 27 27 ARG CA C 24 59.892 58.931 0.961 1
1 314 . 8 1 1 A 27 27 ARG HA H 24 3.875 4.048 -0.173 1
1 315 . 8 1 1 A 27 27 ARG CB C 24 28.853 29.701 -0.848 1
1 331 . 8 1 1 A 27 27 ARG C C 24 178.374 178.537 -0.163 1
1 332 . 8 1 1 A 28 28 ASN N N 25 117.812 118.578 -0.766 1
1 333 . 8 1 1 A 28 28 ASN H H 25 8.146 8.217 -0.071 1
1 334 . 8 1 1 A 28 28 ASN CA C 25 55.753 56.479 -0.726 1
1 335 . 8 1 1 A 28 28 ASN HA H 25 4.452 4.451 0.001 1
1 336 . 8 1 1 A 28 28 ASN CB C 25 37.388 38.868 -1.480 1
1 342 . 8 1 1 A 28 28 ASN C C 25 177.043 177.919 -0.876 1
1 343 . 8 1 1 A 29 29 GLU N N 26 121.177 118.235 2.942 1
1 344 . 8 1 1 A 29 29 GLU H H 26 8.247 8.441 -0.194 1
1 345 . 8 1 1 A 29 29 GLU CA C 26 58.897 59.254 -0.357 1
1 346 . 8 1 1 A 29 29 GLU HA H 26 4.075 4.063 0.012 1
1 347 . 8 1 1 A 29 29 GLU CB C 26 29.202 29.563 -0.361 1
1 353 . 8 1 1 A 29 29 GLU C C 26 180.215 179.427 0.788 1
1 354 . 8 1 1 A 30 30 VAL N N 27 123.509 121.563 1.946 1
1 355 . 8 1 1 A 30 30 VAL H H 27 8.793 8.068 0.725 1
1 356 . 8 1 1 A 30 30 VAL CA C 27 68.051 66.847 1.204 1
1 357 . 8 1 1 A 30 30 VAL HA H 27 3.413 3.716 -0.303 1
1 358 . 8 1 1 A 30 30 VAL CB C 27 31.196 31.571 -0.375 1
1 368 . 8 1 1 A 30 30 VAL C C 27 176.589 177.995 -1.406 1
1 369 . 8 1 1 A 31 31 GLU N N 28 119.159 118.572 0.587 1
1 370 . 8 1 1 A 31 31 GLU H H 28 8.042 8.449 -0.407 1
1 371 . 8 1 1 A 31 31 GLU CA C 28 59.379 59.741 -0.362 1
1 372 . 8 1 1 A 31 31 GLU HA H 28 3.946 3.956 -0.010 1
1 373 . 8 1 1 A 31 31 GLU CB C 28 28.603 29.335 -0.732 1
1 379 . 8 1 1 A 31 31 GLU C C 28 179.282 179.284 -0.002 1
1 380 . 8 1 1 A 32 32 GLU N N 29 118.871 120.701 -1.830 1
1 381 . 8 1 1 A 32 32 GLU H H 29 8.550 8.110 0.440 1
1 382 . 8 1 1 A 32 32 GLU CA C 29 58.770 59.281 -0.511 1
1 383 . 8 1 1 A 32 32 GLU HA H 29 4.056 4.061 -0.005 1
1 384 . 8 1 1 A 32 32 GLU CB C 29 29.214 29.758 -0.544 1
1 390 . 8 1 1 A 32 32 GLU C C 29 178.791 178.441 0.350 1
1 391 . 8 1 1 A 33 33 THR N N 30 117.719 114.073 3.646 1
1 392 . 8 1 1 A 33 33 THR H H 30 8.205 8.414 -0.209 1
1 393 . 8 1 1 A 33 33 THR CA C 30 67.465 65.751 1.714 1
1 394 . 8 1 1 A 33 33 THR HA H 30 3.816 4.022 -0.206 1
1 395 . 8 1 1 A 33 33 THR CB C 30 66.888 68.236 -1.348 1
1 401 . 8 1 1 A 33 33 THR C C 30 175.681 177.662 -1.981 1
1 402 . 8 1 1 A 34 34 ILE N N 31 123.925 123.306 0.619 1
1 403 . 8 1 1 A 34 34 ILE H H 31 8.698 8.107 0.591 1
1 404 . 8 1 1 A 34 34 ILE CA C 31 66.438 64.538 1.900 1
1 405 . 8 1 1 A 34 34 ILE HA H 31 3.442 3.746 -0.304 1
1 406 . 8 1 1 A 34 34 ILE CB C 31 37.311 37.325 -0.014 1
1 416 . 8 1 1 A 34 34 ILE C C 31 176.731 178.126 -1.395 1
1 417 . 8 1 1 A 35 35 THR N N 32 116.478 118.036 -1.558 1
1 418 . 8 1 1 A 35 35 THR H H 32 7.956 8.132 -0.176 1
1 419 . 8 1 1 A 35 35 THR CA C 32 66.447 67.109 -0.662 1
1 420 . 8 1 1 A 35 35 THR HA H 32 3.929 4.017 -0.088 1
1 421 . 8 1 1 A 35 35 THR CB C 32 67.964 67.904 0.060 1
1 427 . 8 1 1 A 35 35 THR C C 32 176.226 176.674 -0.448 1
1 428 . 8 1 1 A 36 36 LEU N N 33 119.834 120.310 -0.476 1
1 429 . 8 1 1 A 36 36 LEU H H 33 7.663 7.798 -0.135 1
1 430 . 8 1 1 A 36 36 LEU CA C 33 57.274 57.450 -0.176 1
1 431 . 8 1 1 A 36 36 LEU HA H 33 4.075 4.128 -0.053 1
1 432 . 8 1 1 A 36 36 LEU CB C 33 42.188 41.646 0.542 1
1 445 . 8 1 1 A 36 36 LEU C C 33 179.412 179.314 0.098 1
1 446 . 8 1 1 A 37 37 MET N N 34 119.993 117.962 2.031 1
1 447 . 8 1 1 A 37 37 MET H H 34 8.509 8.516 -0.007 1
1 448 . 8 1 1 A 37 37 MET CA C 34 57.865 57.766 0.099 1
1 449 . 8 1 1 A 37 37 MET HA H 34 3.865 4.198 -0.333 1
1 450 . 8 1 1 A 37 37 MET CB C 34 28.735 32.353 -3.618 1
1 460 . 8 1 1 A 37 37 MET C C 34 178.772 178.153 0.619 1
1 461 . 8 1 1 A 38 38 GLU N N 35 120.011 120.665 -0.654 1
1 462 . 8 1 1 A 38 38 GLU H H 35 8.321 8.307 0.014 1
1 463 . 8 1 1 A 38 38 GLU CA C 35 58.442 58.940 -0.498 1
1 464 . 8 1 1 A 38 38 GLU HA H 35 3.928 4.052 -0.124 1
1 465 . 8 1 1 A 38 38 GLU CB C 35 28.943 29.590 -0.647 1
1 471 . 8 1 1 A 38 38 GLU C C 35 176.040 177.873 -1.833 1
1 472 . 8 1 1 A 39 39 LEU N N 36 118.349 117.813 0.536 1
1 473 . 8 1 1 A 39 39 LEU H H 36 7.441 7.191 0.250 1
1 474 . 8 1 1 A 39 39 LEU CA C 36 54.614 54.164 0.450 1
1 475 . 8 1 1 A 39 39 LEU HA H 36 4.393 4.495 -0.102 1
1 476 . 8 1 1 A 39 39 LEU CB C 36 42.210 41.639 0.571 1
1 489 . 8 1 1 A 39 39 LEU C C 36 178.113 176.381 1.732 1
1 490 . 8 1 1 A 40 40 LEU N N 37 118.362 121.921 -3.559 1
1 491 . 8 1 1 A 40 40 LEU H H 37 7.464 7.174 0.290 1
1 492 . 8 1 1 A 40 40 LEU CA C 37 54.659 55.006 -0.347 1
1 493 . 8 1 1 A 40 40 LEU HA H 37 4.400 4.152 0.248 1
1 494 . 8 1 1 A 40 40 LEU CB C 37 40.993 42.022 -1.029 1
1 507 . 8 1 1 A 40 40 LEU C C 37 177.827 176.367 1.460 1
1 508 . 8 1 1 A 41 41 LYS N N 38 120.851 124.852 -4.001 1
1 509 . 8 1 1 A 41 41 LYS H H 38 9.254 8.139 1.115 1
1 510 . 8 1 1 A 41 41 LYS CA C 38 54.727 55.695 -0.968 1
1 511 . 8 1 1 A 41 41 LYS HA H 38 4.572 4.520 0.052 1
1 512 . 8 1 1 A 41 41 LYS CB C 38 33.768 33.185 0.583 1
1 524 . 8 1 1 A 41 41 LYS C C 38 177.911 177.961 -0.050 1
1 525 . 8 1 1 A 42 42 VAL N N 39 122.215 118.542 3.673 1
1 526 . 8 1 1 A 42 42 VAL H H 39 9.039 8.717 0.322 1
1 527 . 8 1 1 A 42 42 VAL CA C 39 67.408 65.335 2.073 1
1 528 . 8 1 1 A 42 42 VAL HA H 39 3.699 3.672 0.027 1
1 529 . 8 1 1 A 42 42 VAL CB C 39 31.056 31.694 -0.638 1
1 539 . 8 1 1 A 42 42 VAL C C 39 176.560 177.766 -1.206 1
1 540 . 8 1 1 A 43 43 SER N N 40 114.377 117.092 -2.715 1
1 541 . 8 1 1 A 43 43 SER H H 40 8.686 8.131 0.555 1
1 542 . 8 1 1 A 43 43 SER CA C 40 61.144 61.473 -0.329 1
1 543 . 8 1 1 A 43 43 SER HA H 40 3.933 4.033 -0.100 1
1 544 . 8 1 1 A 43 43 SER CB C 40 60.933 62.990 -2.057 1
1 547 . 8 1 1 A 43 43 SER C C 40 175.910 177.343 -1.433 1
1 548 . 8 1 1 A 44 44 GLU N N 41 122.833 121.541 1.292 1
1 549 . 8 1 1 A 44 44 GLU H H 41 6.661 7.929 -1.268 1
1 550 . 8 1 1 A 44 44 GLU CA C 41 57.315 59.149 -1.834 1
1 551 . 8 1 1 A 44 44 GLU HA H 41 4.363 4.076 0.287 1
1 552 . 8 1 1 A 44 44 GLU CB C 41 30.399 29.311 1.088 1
1 558 . 8 1 1 A 44 44 GLU C C 41 178.185 179.378 -1.193 1
1 559 . 8 1 1 A 45 45 LEU N N 42 119.110 120.096 -0.986 1
1 560 . 8 1 1 A 45 45 LEU H H 42 8.393 8.385 0.008 1
1 561 . 8 1 1 A 45 45 LEU CA C 42 57.359 58.010 -0.651 1
1 562 . 8 1 1 A 45 45 LEU HA H 42 3.918 3.939 -0.021 1
1 563 . 8 1 1 A 45 45 LEU CB C 42 42.476 41.746 0.730 1
1 576 . 8 1 1 A 45 45 LEU C C 42 179.735 179.270 0.465 1
1 577 . 8 1 1 A 46 46 LYS N N 43 118.025 117.953 0.072 1
1 578 . 8 1 1 A 46 46 LYS H H 43 8.596 8.137 0.459 1
1 579 . 8 1 1 A 46 46 LYS CA C 43 60.844 60.247 0.597 1
1 580 . 8 1 1 A 46 46 LYS HA H 43 3.816 3.935 -0.119 1
1 581 . 8 1 1 A 46 46 LYS CB C 43 31.918 32.213 -0.295 1
1 593 . 8 1 1 A 46 46 LYS C C 43 177.672 179.391 -1.719 1
1 594 . 8 1 1 A 47 47 ASP N N 44 119.267 119.843 -0.576 1
1 595 . 8 1 1 A 47 47 ASP H H 44 7.448 8.090 -0.642 1
1 596 . 8 1 1 A 47 47 ASP CA C 44 57.422 57.340 0.082 1
1 597 . 8 1 1 A 47 47 ASP HA H 44 4.555 4.443 0.112 1
1 598 . 8 1 1 A 47 47 ASP CB C 44 39.264 40.798 -1.534 1
1 601 . 8 1 1 A 47 47 ASP C C 44 179.284 178.692 0.592 1
1 602 . 8 1 1 A 48 48 ILE N N 45 120.817 119.124 1.693 1
1 603 . 8 1 1 A 48 48 ILE H H 45 7.871 7.849 0.022 1
1 604 . 8 1 1 A 48 48 ILE CA C 45 64.604 65.221 -0.617 1
1 605 . 8 1 1 A 48 48 ILE HA H 45 3.653 3.609 0.044 1
1 606 . 8 1 1 A 48 48 ILE CB C 45 36.293 37.955 -1.662 1
1 619 . 8 1 1 A 48 48 ILE C C 45 177.180 177.602 -0.422 1
1 620 . 8 1 1 A 49 49 CYS N N 46 117.775 120.533 -2.758 1
1 621 . 8 1 1 A 49 49 CYS H H 46 8.543 8.632 -0.089 1
1 622 . 8 1 1 A 49 49 CYS CA C 46 64.971 63.003 1.968 1
1 623 . 8 1 1 A 49 49 CYS HA H 46 3.852 3.949 -0.097 1
1 624 . 8 1 1 A 49 49 CYS CB C 46 25.872 26.648 -0.776 1
1 627 . 8 1 1 A 49 49 CYS C C 46 176.288 176.723 -0.435 1
1 628 . 8 1 1 A 50 50 ARG N N 47 118.702 119.790 -1.088 1
1 629 . 8 1 1 A 50 50 ARG H H 47 8.626 8.172 0.454 1
1 630 . 8 1 1 A 50 50 ARG CA C 47 58.983 58.920 0.063 1
1 631 . 8 1 1 A 50 50 ARG HA H 47 4.058 4.119 -0.061 1
1 632 . 8 1 1 A 50 50 ARG CB C 47 29.512 29.691 -0.179 1
1 648 . 8 1 1 A 50 50 ARG C C 47 179.270 178.484 0.786 1
1 649 . 8 1 1 A 51 51 SER N N 48 114.502 115.153 -0.651 1
1 650 . 8 1 1 A 51 51 SER H H 48 7.514 7.816 -0.302 1
1 651 . 8 1 1 A 51 51 SER CA C 48 61.745 61.627 0.118 1
1 652 . 8 1 1 A 51 51 SER HA H 48 4.308 4.224 0.084 1
1 653 . 8 1 1 A 51 51 SER CB C 48 62.780 63.188 -0.408 1
1 656 . 8 1 1 A 51 51 SER C C 48 176.764 176.262 0.502 1
1 657 . 8 1 1 A 52 52 VAL N N 49 113.832 119.006 -5.174 1
1 658 . 8 1 1 A 52 52 VAL H H 49 7.511 8.046 -0.535 1
1 659 . 8 1 1 A 52 52 VAL CA C 49 60.751 61.839 -1.088 1
1 660 . 8 1 1 A 52 52 VAL HA H 49 3.760 4.086 -0.326 1
1 661 . 8 1 1 A 52 52 VAL CB C 49 30.719 31.348 -0.629 1
1 671 . 8 1 1 A 52 52 VAL C C 49 173.462 175.316 -1.854 1
1 672 . 8 1 1 A 53 53 SER N N 50 112.698 114.972 -2.274 1
1 673 . 8 1 1 A 53 53 SER H H 50 7.653 8.083 -0.430 1
1 674 . 8 1 1 A 53 53 SER CA C 50 59.025 59.739 -0.714 1
1 675 . 8 1 1 A 53 53 SER HA H 50 3.911 4.162 -0.251 1
1 676 . 8 1 1 A 53 53 SER CB C 50 60.895 61.227 -0.332 1
1 679 . 8 1 1 A 53 53 SER C C 50 174.065 173.413 0.652 1
1 680 . 8 1 1 A 54 54 PHE N N 51 120.132 120.426 -0.294 1
1 681 . 8 1 1 A 54 54 PHE H H 51 8.332 7.797 0.535 1
1 682 . 8 1 1 A 54 54 PHE CA C 51 51.743 56.478 -4.735 1
1 683 . 8 1 1 A 54 54 PHE HA H 51 5.171 4.509 0.662 1
1 684 . 8 1 1 A 54 54 PHE CB C 51 37.762 38.927 -1.165 1
1 696 . 8 1 1 A 55 55 PRO CA C 52 62.176 62.843 -0.667 1
1 697 . 8 1 1 A 55 55 PRO HA H 52 4.417 4.689 -0.272 1
1 698 . 8 1 1 A 55 55 PRO CB C 52 31.347 32.658 -1.311 1
1 706 . 8 1 1 A 55 55 PRO C C 52 176.296 176.147 0.149 1
1 707 . 8 1 1 A 56 56 VAL N N 53 109.933 122.376 -12.443 1
1 708 . 8 1 1 A 56 56 VAL H H 53 7.986 8.573 -0.587 1
1 709 . 8 1 1 A 56 56 VAL CA C 53 59.863 61.327 -1.464 1
1 710 . 8 1 1 A 56 56 VAL HA H 53 4.404 4.377 0.027 1
1 711 . 8 1 1 A 56 56 VAL CB C 53 31.483 34.145 -2.662 1
1 721 . 8 1 1 A 56 56 VAL C C 53 175.074 176.609 -1.535 1
1 722 . 8 1 1 A 57 57 SER N N 54 114.614 116.130 -1.516 1
1 723 . 8 1 1 A 57 57 SER H H 54 7.304 8.301 -0.997 1
1 724 . 8 1 1 A 57 57 SER CA C 54 57.295 59.275 -1.980 1
1 725 . 8 1 1 A 57 57 SER HA H 54 4.363 4.343 0.020 1
1 726 . 8 1 1 A 57 57 SER CB C 54 63.351 63.359 -0.008 1
1 729 . 8 1 1 A 57 57 SER C C 54 174.225 176.519 -2.294 1
1 730 . 8 1 1 A 58 58 GLY N N 55 110.300 110.943 -0.643 1
1 731 . 8 1 1 A 58 58 GLY H H 55 8.545 7.964 0.581 1
1 732 . 8 1 1 A 58 58 GLY CA C 55 43.806 44.542 -0.736 1
1 733 . 8 1 1 A 58 58 GLY HA2 H 55 4.009 3.840 0.169 1
1 734 . 8 1 1 A 58 58 GLY HA3 H 55 3.715 3.841 -0.126 1
1 735 . 8 1 1 A 58 58 GLY C C 55 172.483 173.524 -1.041 1
1 736 . 8 1 1 A 59 59 ARG N N 56 116.392 123.391 -6.999 1
1 737 . 8 1 1 A 59 59 ARG H H 56 7.913 8.126 -0.213 1
1 738 . 8 1 1 A 59 59 ARG CA C 56 54.769 54.334 0.435 1
1 739 . 8 1 1 A 59 59 ARG HA H 56 4.371 4.819 -0.448 1
1 740 . 8 1 1 A 59 59 ARG CB C 56 30.447 33.489 -3.042 1
1 752 . 8 1 1 A 59 59 ARG C C 56 176.019 176.203 -0.184 1
1 753 . 8 1 1 A 60 60 LYS N N 57 122.009 125.440 -3.431 1
1 754 . 8 1 1 A 60 60 LYS H H 57 8.811 8.833 -0.022 1
1 755 . 8 1 1 A 60 60 LYS CA C 57 61.236 60.159 1.077 1
1 756 . 8 1 1 A 60 60 LYS HA H 57 3.606 3.847 -0.241 1
1 757 . 8 1 1 A 60 60 LYS CB C 57 32.419 31.930 0.489 1
1 769 . 8 1 1 A 60 60 LYS C C 57 176.824 177.819 -0.995 1
1 770 . 8 1 1 A 61 61 ALA N N 58 116.880 120.841 -3.961 1
1 771 . 8 1 1 A 61 61 ALA H H 58 8.794 7.864 0.930 1
1 772 . 8 1 1 A 61 61 ALA CA C 58 54.617 55.087 -0.470 1
1 773 . 8 1 1 A 61 61 ALA HA H 58 4.129 4.008 0.121 1
1 777 . 8 1 1 A 61 61 ALA CB C 58 18.103 18.423 -0.320 1
1 778 . 8 1 1 A 61 61 ALA C C 58 179.574 180.376 -0.802 1
1 779 . 8 1 1 A 62 62 VAL N N 59 117.408 119.056 -1.648 1
1 780 . 8 1 1 A 62 62 VAL H H 59 7.047 7.789 -0.742 1
1 781 . 8 1 1 A 62 62 VAL CA C 59 64.864 67.066 -2.202 1
1 782 . 8 1 1 A 62 62 VAL HA H 59 3.701 3.540 0.161 1
1 783 . 8 1 1 A 62 62 VAL CB C 59 31.301 31.516 -0.215 1
1 793 . 8 1 1 A 62 62 VAL C C 59 178.103 177.975 0.128 1
1 794 . 8 1 1 A 63 63 LEU N N 60 119.573 119.332 0.241 1
1 795 . 8 1 1 A 63 63 LEU H H 60 7.585 8.252 -0.667 1
1 796 . 8 1 1 A 63 63 LEU CA C 60 57.571 58.273 -0.702 1
1 797 . 8 1 1 A 63 63 LEU HA H 60 3.923 3.838 0.085 1
1 798 . 8 1 1 A 63 63 LEU CB C 60 41.711 41.608 0.103 1
1 810 . 8 1 1 A 63 63 LEU C C 60 178.692 179.009 -0.317 1
1 811 . 8 1 1 A 64 64 GLN N N 61 114.206 117.124 -2.918 1
1 812 . 8 1 1 A 64 64 GLN H H 61 8.373 8.554 -0.181 1
1 813 . 8 1 1 A 64 64 GLN CA C 61 58.039 58.412 -0.373 1
1 814 . 8 1 1 A 64 64 GLN HA H 61 4.090 4.024 0.066 1
1 815 . 8 1 1 A 64 64 GLN CB C 61 28.670 28.421 0.249 1
1 821 . 8 1 1 A 64 64 GLN C C 61 178.207 177.376 0.831 1
1 822 . 8 1 1 A 65 65 ASP N N 62 118.671 120.352 -1.681 1
1 823 . 8 1 1 A 65 65 ASP H H 62 7.973 7.791 0.182 1
1 824 . 8 1 1 A 65 65 ASP CA C 62 56.961 57.352 -0.391 1
1 825 . 8 1 1 A 65 65 ASP HA H 62 4.353 4.487 -0.134 1
1 826 . 8 1 1 A 65 65 ASP CB C 62 39.856 40.983 -1.127 1
1 829 . 8 1 1 A 65 65 ASP C C 62 178.113 178.999 -0.886 1
1 830 . 8 1 1 A 66 66 LEU N N 63 119.708 120.619 -0.911 1
1 831 . 8 1 1 A 66 66 LEU H H 63 7.970 8.126 -0.156 1
1 832 . 8 1 1 A 66 66 LEU CA C 63 57.549 58.005 -0.456 1
1 833 . 8 1 1 A 66 66 LEU HA H 63 3.838 4.031 -0.193 1
1 834 . 8 1 1 A 66 66 LEU CB C 63 41.235 42.059 -0.824 1
1 847 . 8 1 1 A 66 66 LEU C C 63 180.041 179.082 0.959 1
1 848 . 8 1 1 A 67 67 ILE N N 64 118.309 119.201 -0.892 1
1 849 . 8 1 1 A 67 67 ILE H H 64 7.555 8.047 -0.492 1
1 850 . 8 1 1 A 67 67 ILE CA C 64 63.895 65.645 -1.750 1
1 851 . 8 1 1 A 67 67 ILE HA H 64 3.794 3.374 0.420 1
1 852 . 8 1 1 A 67 67 ILE CB C 64 37.181 37.679 -0.498 1
1 865 . 8 1 1 A 67 67 ILE C C 64 176.949 178.091 -1.142 1
1 866 . 8 1 1 A 68 68 ARG N N 65 122.359 120.380 1.979 1
1 867 . 8 1 1 A 68 68 ARG H H 65 9.489 8.261 1.228 1
1 868 . 8 1 1 A 68 68 ARG CA C 65 60.488 60.012 0.476 1
1 869 . 8 1 1 A 68 68 ARG HA H 65 3.692 3.917 -0.225 1
1 870 . 8 1 1 A 68 68 ARG CB C 65 29.897 30.149 -0.252 1
1 880 . 8 1 1 A 68 68 ARG C C 65 177.728 179.159 -1.431 1
1 881 . 8 1 1 A 69 69 ASN N N 66 116.248 116.944 -0.696 1
1 882 . 8 1 1 A 69 69 ASN H H 66 8.546 8.580 -0.034 1
1 883 . 8 1 1 A 69 69 ASN CA C 66 55.945 56.252 -0.307 1
1 884 . 8 1 1 A 69 69 ASN HA H 66 4.391 4.468 -0.077 1
1 885 . 8 1 1 A 69 69 ASN CB C 66 37.828 37.926 -0.098 1
1 891 . 8 1 1 A 69 69 ASN C C 66 176.520 178.380 -1.860 1
1 892 . 8 1 1 A 70 70 PHE N N 67 121.134 121.328 -0.194 1
1 893 . 8 1 1 A 70 70 PHE H H 67 7.693 8.314 -0.621 1
1 894 . 8 1 1 A 70 70 PHE CA C 67 60.170 61.283 -1.113 1
1 895 . 8 1 1 A 70 70 PHE HA H 67 4.535 4.184 0.351 1
1 896 . 8 1 1 A 70 70 PHE CB C 67 39.838 39.417 0.421 1
1 902 . 8 1 1 A 70 70 PHE C C 67 177.756 178.258 -0.502 1
1 903 . 8 1 1 A 71 71 LEU N N 68 117.959 119.702 -1.743 1
1 904 . 8 1 1 A 71 71 LEU H H 68 8.336 8.421 -0.085 1
1 905 . 8 1 1 A 71 71 LEU CA C 68 57.468 58.107 -0.639 1
1 906 . 8 1 1 A 71 71 LEU HA H 68 3.828 3.931 -0.103 1
1 907 . 8 1 1 A 71 71 LEU CB C 68 42.156 41.546 0.610 1
1 919 . 8 1 1 A 71 71 LEU C C 68 178.037 178.842 -0.805 1
1 920 . 8 1 1 A 72 72 GLN N N 69 117.479 117.562 -0.083 1
1 921 . 8 1 1 A 72 72 GLN H H 69 8.802 8.208 0.594 1
1 922 . 8 1 1 A 72 72 GLN CA C 69 58.632 58.759 -0.127 1
1 923 . 8 1 1 A 72 72 GLN HA H 69 3.906 4.174 -0.268 1
1 924 . 8 1 1 A 72 72 GLN CB C 69 27.010 28.144 -1.134 1
1 933 . 8 1 1 A 72 72 GLN C C 69 179.337 178.252 1.085 1
1 934 . 8 1 1 A 73 73 ASN N N 70 117.551 118.289 -0.738 1
1 935 . 8 1 1 A 73 73 ASN H H 70 8.124 8.120 0.004 1
1 936 . 8 1 1 A 73 73 ASN CA C 70 54.051 56.001 -1.950 1
1 937 . 8 1 1 A 73 73 ASN HA H 70 4.602 4.460 0.142 1
1 938 . 8 1 1 A 73 73 ASN CB C 70 37.810 38.150 -0.340 1
1 944 . 8 1 1 A 73 73 ASN C C 70 175.490 177.745 -2.255 1
1 945 . 8 1 1 A 74 74 ALA N N 71 120.962 120.368 0.594 1
1 946 . 8 1 1 A 74 74 ALA H H 71 7.787 7.732 0.055 1
1 947 . 8 1 1 A 74 74 ALA CA C 71 53.143 54.143 -1.000 1
1 948 . 8 1 1 A 74 74 ALA HA H 71 4.193 4.078 0.115 1
1 952 . 8 1 1 A 74 74 ALA CB C 71 19.064 18.378 0.686 1
1 953 . 8 1 1 A 74 74 ALA C C 71 176.255 178.432 -2.177 1
1 954 . 8 1 1 A 75 75 LEU N N 72 112.822 114.706 -1.884 1
1 955 . 8 1 1 A 75 75 LEU H H 72 7.381 7.670 -0.289 1
1 956 . 8 1 1 A 75 75 LEU CA C 72 52.987 54.261 -1.274 1
1 957 . 8 1 1 A 75 75 LEU HA H 72 4.305 4.464 -0.159 1
1 958 . 8 1 1 A 75 75 LEU CB C 72 41.490 42.036 -0.546 1
1 971 . 8 1 1 A 75 75 LEU C C 72 175.867 175.850 0.017 1
1 972 . 8 1 1 A 76 76 VAL N N 73 120.671 120.793 -0.122 1
1 973 . 8 1 1 A 76 76 VAL H H 73 6.797 6.888 -0.091 1
1 974 . 8 1 1 A 76 76 VAL CA C 73 62.994 62.114 0.880 1
1 975 . 8 1 1 A 76 76 VAL HA H 73 3.707 3.965 -0.258 1
1 976 . 8 1 1 A 76 76 VAL CB C 73 32.014 32.468 -0.454 1
1 986 . 8 1 1 A 76 76 VAL C C 73 176.144 175.774 0.370 1
1 987 . 8 1 1 A 77 77 VAL N N 74 128.303 126.336 1.967 1
1 988 . 8 1 1 A 77 77 VAL H H 74 8.407 8.568 -0.161 1
1 989 . 8 1 1 A 77 77 VAL CA C 74 64.673 63.681 0.992 1
1 990 . 8 1 1 A 77 77 VAL HA H 74 3.651 3.976 -0.325 1
1 991 . 8 1 1 A 77 77 VAL CB C 74 30.789 31.071 -0.282 1
1 1001 . 8 1 1 A 77 77 VAL C C 74 176.911 176.925 -0.014 1
1 1002 . 8 1 1 A 78 78 GLY N N 75 116.087 115.785 0.302 1
1 1003 . 8 1 1 A 78 78 GLY H H 75 8.827 8.661 0.166 1
1 1004 . 8 1 1 A 78 78 GLY CA C 75 45.004 45.223 -0.219 1
1 1005 . 8 1 1 A 78 78 GLY HA2 H 75 4.236 3.980 0.256 1
1 1006 . 8 1 1 A 78 78 GLY HA3 H 75 3.738 3.981 -0.243 1
1 1007 . 8 1 1 A 78 78 GLY C C 75 173.779 173.990 -0.211 1
1 1008 . 8 1 1 A 79 79 LYS N N 76 121.612 121.309 0.303 1
1 1009 . 8 1 1 A 79 79 LYS H H 76 8.140 7.901 0.239 1
1 1010 . 8 1 1 A 79 79 LYS CA C 76 54.078 57.656 -3.578 1
1 1011 . 8 1 1 A 79 79 LYS HA H 76 4.588 4.588 0.000 1
1 1012 . 8 1 1 A 79 79 LYS CB C 76 32.708 35.380 -2.672 1
1 1024 . 8 1 1 A 79 79 LYS C C 76 175.177 176.047 -0.870 1
1 1025 . 8 1 1 A 80 80 SER N N 77 117.166 113.010 4.156 1
1 1026 . 8 1 1 A 80 80 SER H H 77 8.241 7.846 0.395 1
1 1027 . 8 1 1 A 80 80 SER CA C 77 59.173 59.950 -0.777 1
1 1028 . 8 1 1 A 80 80 SER HA H 77 4.356 4.440 -0.084 1
1 1029 . 8 1 1 A 80 80 SER CB C 77 63.288 61.988 1.300 1
1 1032 . 8 1 1 A 80 80 SER C C 77 174.793 172.433 2.360 1
1 1033 . 8 1 1 A 81 81 ASP N N 78 118.775 122.605 -3.830 1
1 1034 . 8 1 1 A 81 81 ASP H H 78 8.506 8.585 -0.079 1
1 1035 . 8 1 1 A 81 81 ASP CA C 78 50.069 51.342 -1.273 1
1 1036 . 8 1 1 A 81 81 ASP HA H 78 5.423 5.051 0.372 1
1 1037 . 8 1 1 A 81 81 ASP CB C 78 41.498 41.382 0.116 1
1 1041 . 8 1 1 A 82 82 PRO CA C 79 63.656 64.404 -0.748 1
1 1042 . 8 1 1 A 82 82 PRO HA H 79 4.271 4.309 -0.038 1
1 1043 . 8 1 1 A 82 82 PRO CB C 79 31.303 31.759 -0.456 1
1 1051 . 8 1 1 A 82 82 PRO C C 79 178.645 178.290 0.355 1
1 1052 . 8 1 1 A 83 83 TYR N N 80 117.360 117.436 -0.076 1
1 1053 . 8 1 1 A 83 83 TYR H H 80 7.561 7.296 0.265 1
1 1054 . 8 1 1 A 83 83 TYR CA C 80 59.635 61.640 -2.005 1
1 1055 . 8 1 1 A 83 83 TYR HA H 80 4.163 4.317 -0.154 1
1 1056 . 8 1 1 A 83 83 TYR CB C 80 35.602 38.109 -2.507 1
1 1065 . 8 1 1 A 83 83 TYR C C 80 176.904 178.350 -1.446 1
1 1066 . 8 1 1 A 84 84 ARG N N 81 120.833 118.778 2.055 1
1 1067 . 8 1 1 A 84 84 ARG H H 81 7.898 8.109 -0.211 1
1 1068 . 8 1 1 A 84 84 ARG CA C 81 58.332 59.114 -0.782 1
1 1069 . 8 1 1 A 84 84 ARG HA H 81 4.615 4.047 0.568 1
1 1070 . 8 1 1 A 84 84 ARG CB C 81 28.242 29.822 -1.580 1
1 1071 . 8 1 1 A 84 84 ARG C C 81 176.940 179.304 -2.364 1
1 1072 . 8 1 1 A 85 85 VAL N N 82 117.345 120.348 -3.003 1
1 1073 . 8 1 1 A 85 85 VAL H H 82 6.971 7.965 -0.994 1
1 1074 . 8 1 1 A 85 85 VAL CA C 82 65.663 66.569 -0.906 1
1 1075 . 8 1 1 A 85 85 VAL HA H 82 3.417 3.526 -0.109 1
1 1076 . 8 1 1 A 85 85 VAL CB C 82 31.165 31.703 -0.538 1
1 1085 . 8 1 1 A 85 85 VAL C C 82 176.601 177.713 -1.112 1
1 1086 . 8 1 1 A 86 86 GLN N N 83 117.137 120.471 -3.334 1
1 1087 . 8 1 1 A 86 86 GLN H H 83 7.536 8.413 -0.877 1
1 1088 . 8 1 1 A 86 86 GLN CA C 83 58.230 58.408 -0.178 1
1 1089 . 8 1 1 A 86 86 GLN HA H 83 3.953 4.082 -0.129 1
1 1090 . 8 1 1 A 86 86 GLN CB C 83 28.240 28.812 -0.572 1
1 1099 . 8 1 1 A 86 86 GLN C C 83 178.602 178.111 0.491 1
1 1100 . 8 1 1 A 87 87 ALA N N 84 121.452 122.035 -0.583 1
1 1101 . 8 1 1 A 87 87 ALA H H 84 8.843 7.887 0.956 1
1 1102 . 8 1 1 A 87 87 ALA CA C 84 54.905 55.161 -0.256 1
1 1103 . 8 1 1 A 87 87 ALA HA H 84 4.048 4.131 -0.083 1
1 1107 . 8 1 1 A 87 87 ALA CB C 84 18.088 18.548 -0.460 1
1 1108 . 8 1 1 A 87 87 ALA C C 84 178.498 179.939 -1.441 1
1 1109 . 8 1 1 A 88 88 VAL N N 85 117.570 118.447 -0.877 1
1 1110 . 8 1 1 A 88 88 VAL H H 85 8.515 8.225 0.290 1
1 1111 . 8 1 1 A 88 88 VAL CA C 85 67.315 66.487 0.828 1
1 1112 . 8 1 1 A 88 88 VAL HA H 85 3.764 3.484 0.280 1
1 1113 . 8 1 1 A 88 88 VAL CB C 85 30.610 31.596 -0.986 1
1 1123 . 8 1 1 A 88 88 VAL C C 85 177.138 177.778 -0.640 1
1 1124 . 8 1 1 A 89 89 LYS N N 86 120.005 120.549 -0.544 1
1 1125 . 8 1 1 A 89 89 LYS H H 86 8.612 8.713 -0.101 1
1 1126 . 8 1 1 A 89 89 LYS CA C 86 60.851 59.487 1.364 1
1 1127 . 8 1 1 A 89 89 LYS HA H 86 3.827 3.999 -0.172 1
1 1128 . 8 1 1 A 89 89 LYS CB C 86 31.974 32.145 -0.171 1
1 1140 . 8 1 1 A 89 89 LYS C C 86 178.096 178.628 -0.532 1
1 1141 . 8 1 1 A 90 90 PHE N N 87 119.839 120.426 -0.587 1
1 1142 . 8 1 1 A 90 90 PHE H H 87 8.184 8.066 0.118 1
1 1143 . 8 1 1 A 90 90 PHE CA C 87 60.604 61.260 -0.656 1
1 1144 . 8 1 1 A 90 90 PHE HA H 87 4.302 4.236 0.066 1
1 1145 . 8 1 1 A 90 90 PHE CB C 87 38.349 39.115 -0.766 1
1 1154 . 8 1 1 A 90 90 PHE C C 87 177.748 177.508 0.240 1
1 1155 . 8 1 1 A 91 91 LEU N N 88 118.977 119.351 -0.374 1
1 1156 . 8 1 1 A 91 91 LEU H H 88 8.604 8.651 -0.047 1
1 1157 . 8 1 1 A 91 91 LEU CA C 88 58.058 58.431 -0.373 1
1 1158 . 8 1 1 A 91 91 LEU HA H 88 3.975 3.856 0.119 1
1 1159 . 8 1 1 A 91 91 LEU CB C 88 41.114 42.020 -0.906 1
1 1169 . 8 1 1 A 91 91 LEU C C 88 178.106 179.138 -1.032 1
1 1170 . 8 1 1 A 92 92 ILE N N 89 118.378 118.806 -0.428 1
1 1171 . 8 1 1 A 92 92 ILE H H 89 8.420 8.618 -0.198 1
1 1172 . 8 1 1 A 92 92 ILE CA C 89 65.761 65.466 0.295 1
1 1173 . 8 1 1 A 92 92 ILE HA H 89 3.542 3.491 0.051 1
1 1174 . 8 1 1 A 92 92 ILE CB C 89 37.372 37.688 -0.316 1
1 1184 . 8 1 1 A 92 92 ILE C C 89 176.952 177.926 -0.974 1
1 1185 . 8 1 1 A 93 93 GLU N N 90 120.262 120.769 -0.507 1
1 1186 . 8 1 1 A 93 93 GLU H H 90 8.133 8.241 -0.108 1
1 1187 . 8 1 1 A 93 93 GLU CA C 90 58.766 60.040 -1.274 1
1 1188 . 8 1 1 A 93 93 GLU HA H 90 4.038 3.822 0.216 1
1 1189 . 8 1 1 A 93 93 GLU CB C 90 28.466 29.212 -0.746 1
1 1195 . 8 1 1 A 93 93 GLU C C 90 178.689 178.820 -0.131 1
1 1196 . 8 1 1 A 94 94 ARG N N 91 117.630 118.851 -1.221 1
1 1197 . 8 1 1 A 94 94 ARG H H 91 7.952 7.678 0.274 1
1 1198 . 8 1 1 A 94 94 ARG CA C 91 58.343 58.843 -0.500 1
1 1199 . 8 1 1 A 94 94 ARG HA H 91 3.941 3.934 0.007 1
1 1200 . 8 1 1 A 94 94 ARG CB C 91 29.048 29.737 -0.689 1
1 1215 . 8 1 1 A 94 94 ARG C C 91 178.875 178.591 0.284 1
1 1216 . 8 1 1 A 95 95 ILE N N 92 120.056 119.894 0.162 1
1 1217 . 8 1 1 A 95 95 ILE H H 92 8.225 8.177 0.048 1
1 1218 . 8 1 1 A 95 95 ILE CA C 92 63.296 65.470 -2.174 1
1 1219 . 8 1 1 A 95 95 ILE HA H 92 3.972 3.620 0.352 1
1 1220 . 8 1 1 A 95 95 ILE CB C 92 36.921 37.751 -0.830 1
1 1233 . 8 1 1 A 95 95 ILE C C 92 180.242 178.373 1.869 1
1 1234 . 8 1 1 A 96 96 ARG N N 93 121.023 120.648 0.375 1
1 1235 . 8 1 1 A 96 96 ARG H H 93 8.259 8.798 -0.539 1
1 1236 . 8 1 1 A 96 96 ARG CA C 93 58.401 57.782 0.619 1
1 1237 . 8 1 1 A 96 96 ARG HA H 93 4.068 4.167 -0.099 1
1 1238 . 8 1 1 A 96 96 ARG CB C 93 29.474 29.042 0.432 1
1 1254 . 8 1 1 A 96 96 ARG C C 93 177.500 177.610 -0.110 1
1 1255 . 8 1 1 A 97 97 LYS N N 94 116.750 119.740 -2.990 1
1 1256 . 8 1 1 A 97 97 LYS H H 94 7.527 7.498 0.029 1
1 1257 . 8 1 1 A 97 97 LYS CA C 94 55.282 56.996 -1.714 1
1 1258 . 8 1 1 A 97 97 LYS HA H 94 4.274 4.336 -0.062 1
1 1259 . 8 1 1 A 97 97 LYS CB C 94 32.112 33.439 -1.327 1
1 1271 . 8 1 1 A 97 97 LYS C C 94 174.901 176.159 -1.258 1
1 1272 . 8 1 1 A 98 98 ASN N N 95 116.979 118.245 -1.266 1
1 1273 . 8 1 1 A 98 98 ASN H H 95 8.150 8.090 0.060 1
1 1274 . 8 1 1 A 98 98 ASN CA C 95 53.822 54.144 -0.322 1
1 1275 . 8 1 1 A 98 98 ASN HA H 95 4.370 4.257 0.113 1
1 1276 . 8 1 1 A 98 98 ASN CB C 95 36.674 37.228 -0.554 1
1 1282 . 8 1 1 A 98 98 ASN C C 95 173.779 173.931 -0.152 1
1 1283 . 8 1 1 A 99 99 GLU N N 96 118.529 117.425 1.104 1
1 1284 . 8 1 1 A 99 99 GLU H H 96 8.236 7.585 0.651 1
1 1285 . 8 1 1 A 99 99 GLU CA C 96 52.891 53.158 -0.267 1
1 1286 . 8 1 1 A 99 99 GLU HA H 96 4.673 4.805 -0.132 1
1 1287 . 8 1 1 A 99 99 GLU CB C 96 30.358 31.124 -0.766 1
1 1292 . 8 1 1 A 100 100 PRO CA C 97 62.037 62.747 -0.710 1
1 1293 . 8 1 1 A 100 100 PRO HA H 97 4.272 4.684 -0.412 1
1 1294 . 8 1 1 A 100 100 PRO CB C 97 31.609 31.656 -0.047 1
1 1302 . 8 1 1 A 100 100 PRO C C 97 176.184 177.003 -0.819 1
1 1303 . 8 1 1 A 101 101 LEU N N 98 122.794 119.151 3.643 1
1 1304 . 8 1 1 A 101 101 LEU H H 98 8.832 8.282 0.550 1
1 1305 . 8 1 1 A 101 101 LEU CA C 98 52.524 53.062 -0.538 1
1 1306 . 8 1 1 A 101 101 LEU HA H 98 4.654 4.820 -0.166 1
1 1307 . 8 1 1 A 101 101 LEU CB C 98 40.422 41.995 -1.573 1
1 1321 . 8 1 1 A 102 102 PRO CA C 99 61.075 62.252 -1.177 1
1 1322 . 8 1 1 A 102 102 PRO HA H 99 4.629 4.659 -0.030 1
1 1323 . 8 1 1 A 102 102 PRO CB C 99 31.778 33.156 -1.378 1
1 1328 . 8 1 1 A 102 102 PRO C C 99 174.604 175.924 -1.320 1
1 1329 . 8 1 1 A 103 103 VAL N N 100 120.834 120.946 -0.112 1
1 1330 . 8 1 1 A 103 103 VAL H H 100 8.661 8.610 0.051 1
1 1331 . 8 1 1 A 103 103 VAL CA C 100 62.977 61.953 1.024 1
1 1332 . 8 1 1 A 103 103 VAL HA H 100 3.860 4.306 -0.446 1
1 1333 . 8 1 1 A 103 103 VAL CB C 100 31.731 32.036 -0.305 1
1 1342 . 8 1 1 A 103 103 VAL C C 100 177.396 176.511 0.885 1
1 1343 . 8 1 1 A 104 104 TYR N N 101 129.973 126.704 3.269 1
1 1344 . 8 1 1 A 104 104 TYR H H 101 8.487 8.855 -0.368 1
1 1345 . 8 1 1 A 104 104 TYR CA C 101 62.855 61.941 0.914 1
1 1346 . 8 1 1 A 104 104 TYR HA H 101 3.802 4.131 -0.329 1
1 1347 . 8 1 1 A 104 104 TYR CB C 101 38.429 38.961 -0.532 1
1 1356 . 8 1 1 A 104 104 TYR C C 101 175.877 177.680 -1.803 1
1 1357 . 8 1 1 A 105 105 LYS N N 102 117.165 119.269 -2.104 1
1 1358 . 8 1 1 A 105 105 LYS H H 102 8.848 8.260 0.588 1
1 1359 . 8 1 1 A 105 105 LYS CA C 102 59.343 59.607 -0.264 1
1 1360 . 8 1 1 A 105 105 LYS HA H 102 3.810 4.157 -0.347 1
1 1361 . 8 1 1 A 105 105 LYS CB C 102 31.739 32.329 -0.590 1
1 1373 . 8 1 1 A 105 105 LYS C C 102 177.370 178.192 -0.822 1
1 1374 . 8 1 1 A 106 106 ASP N N 103 117.011 120.252 -3.241 1
1 1375 . 8 1 1 A 106 106 ASP H H 103 6.781 8.231 -1.450 1
1 1376 . 8 1 1 A 106 106 ASP CA C 103 56.155 57.682 -1.527 1
1 1377 . 8 1 1 A 106 106 ASP HA H 103 4.454 4.286 0.168 1
1 1378 . 8 1 1 A 106 106 ASP CB C 103 39.467 41.695 -2.228 1
1 1381 . 8 1 1 A 106 106 ASP C C 103 178.180 178.148 0.032 1
1 1382 . 8 1 1 A 107 107 LEU N N 104 124.145 119.843 4.302 1
1 1383 . 8 1 1 A 107 107 LEU H H 104 7.687 8.367 -0.680 1
1 1384 . 8 1 1 A 107 107 LEU CA C 104 56.938 58.172 -1.234 1
1 1385 . 8 1 1 A 107 107 LEU HA H 104 4.000 3.940 0.060 1
1 1386 . 8 1 1 A 107 107 LEU CB C 104 41.707 41.779 -0.072 1
1 1399 . 8 1 1 A 107 107 LEU C C 104 176.403 178.802 -2.399 1
1 1400 . 8 1 1 A 108 108 TRP N N 105 120.039 120.617 -0.578 1
1 1401 . 8 1 1 A 108 108 TRP H H 105 9.072 8.244 0.828 1
1 1402 . 8 1 1 A 108 108 TRP CA C 105 62.392 60.733 1.659 1
1 1403 . 8 1 1 A 108 108 TRP HA H 105 3.547 3.980 -0.433 1
1 1404 . 8 1 1 A 108 108 TRP CB C 105 28.316 29.083 -0.767 1
1 1415 . 8 1 1 A 108 108 TRP C C 105 176.983 178.213 -1.230 1
1 1416 . 8 1 1 A 109 109 ASN N N 106 113.557 116.919 -3.362 1
1 1417 . 8 1 1 A 109 109 ASN H H 106 8.058 8.219 -0.161 1
1 1418 . 8 1 1 A 109 109 ASN CA C 106 55.662 55.817 -0.155 1
1 1419 . 8 1 1 A 109 109 ASN HA H 106 3.994 3.853 0.141 1
1 1420 . 8 1 1 A 109 109 ASN CB C 106 37.973 37.721 0.252 1
1 1426 . 8 1 1 A 109 109 ASN C C 106 176.928 177.320 -0.392 1
1 1427 . 8 1 1 A 110 110 ALA N N 107 121.997 122.407 -0.410 1
1 1428 . 8 1 1 A 110 110 ALA H H 107 7.718 8.185 -0.467 1
1 1429 . 8 1 1 A 110 110 ALA CA C 107 54.261 54.977 -0.716 1
1 1430 . 8 1 1 A 110 110 ALA HA H 107 3.979 3.995 -0.016 1
1 1434 . 8 1 1 A 110 110 ALA CB C 107 17.322 18.246 -0.924 1
1 1435 . 8 1 1 A 110 110 ALA C C 107 180.452 179.880 0.572 1
1 1436 . 8 1 1 A 111 111 LEU N N 108 119.150 117.764 1.386 1
1 1437 . 8 1 1 A 111 111 LEU H H 108 8.200 8.468 -0.268 1
1 1438 . 8 1 1 A 111 111 LEU CA C 108 56.264 57.509 -1.245 1
1 1439 . 8 1 1 A 111 111 LEU HA H 108 3.857 3.948 -0.091 1
1 1440 . 8 1 1 A 111 111 LEU CB C 108 41.134 41.030 0.104 1
1 1453 . 8 1 1 A 111 111 LEU C C 108 178.144 179.216 -1.072 1
1 1454 . 8 1 1 A 112 112 ARG N N 109 117.178 119.400 -2.222 1
1 1455 . 8 1 1 A 112 112 ARG H H 109 7.365 8.002 -0.637 1
1 1456 . 8 1 1 A 112 112 ARG CA C 109 56.443 59.438 -2.995 1
1 1457 . 8 1 1 A 112 112 ARG HA H 109 2.642 3.818 -1.176 1
1 1458 . 8 1 1 A 112 112 ARG CB C 109 28.901 29.470 -0.569 1
1 1469 . 8 1 1 A 112 112 ARG C C 109 176.348 179.036 -2.688 1
1 1470 . 8 1 1 A 113 113 LYS N N 110 118.628 119.087 -0.459 1
1 1471 . 8 1 1 A 113 113 LYS H H 110 7.145 7.856 -0.711 1
1 1472 . 8 1 1 A 113 113 LYS CA C 110 56.410 58.524 -2.114 1
1 1473 . 8 1 1 A 113 113 LYS HA H 110 4.018 4.005 0.013 1
1 1474 . 8 1 1 A 113 113 LYS CB C 110 32.091 31.919 0.172 1
1 1486 . 8 1 1 A 113 113 LYS C C 110 176.164 179.333 -3.169 1
1 5 . 9 1 1 A 2 2 SER N N -2 115.414 114.970 0.444 1
1 6 . 9 1 1 A 2 2 SER H H -2 8.737 8.646 0.091 1
1 7 . 9 1 1 A 2 2 SER CA C -2 57.710 59.136 -1.426 1
1 8 . 9 1 1 A 2 2 SER HA H -2 4.446 4.613 -0.167 1
1 9 . 9 1 1 A 2 2 SER CB C -2 63.365 66.064 -2.699 1
1 12 . 9 1 1 A 2 2 SER C C -2 173.826 174.250 -0.424 1
1 40 . 9 1 1 A 5 5 ILE N N 2 122.114 119.920 2.194 1
1 41 . 9 1 1 A 5 5 ILE H H 2 8.292 7.531 0.761 1
1 42 . 9 1 1 A 5 5 ILE CA C 2 60.568 59.608 0.960 1
1 43 . 9 1 1 A 5 5 ILE HA H 2 4.102 4.862 -0.760 1
1 44 . 9 1 1 A 5 5 ILE CB C 2 38.417 42.020 -3.603 1
1 57 . 9 1 1 A 5 5 ILE C C 2 174.970 174.250 0.720 1
1 58 . 9 1 1 A 6 6 ASN N N 3 122.794 120.840 1.954 1
1 59 . 9 1 1 A 6 6 ASN H H 3 8.636 8.790 -0.154 1
1 60 . 9 1 1 A 6 6 ASN CA C 3 52.274 53.290 -1.016 1
1 61 . 9 1 1 A 6 6 ASN HA H 3 4.712 5.209 -0.497 1
1 62 . 9 1 1 A 6 6 ASN CB C 3 38.194 42.434 -4.240 1
1 68 . 9 1 1 A 6 6 ASN C C 3 174.766 175.024 -0.258 1
1 69 . 9 1 1 A 7 7 LEU N N 4 123.220 124.487 -1.267 1
1 70 . 9 1 1 A 7 7 LEU H H 4 8.484 8.851 -0.367 1
1 71 . 9 1 1 A 7 7 LEU CA C 4 55.359 58.122 -2.763 1
1 72 . 9 1 1 A 7 7 LEU HA H 4 4.197 4.091 0.106 1
1 73 . 9 1 1 A 7 7 LEU CB C 4 41.461 41.686 -0.225 1
1 86 . 9 1 1 A 7 7 LEU C C 4 177.248 178.525 -1.277 1
1 87 . 9 1 1 A 8 8 GLU N N 5 119.354 118.506 0.848 1
1 88 . 9 1 1 A 8 8 GLU H H 5 8.455 7.719 0.736 1
1 89 . 9 1 1 A 8 8 GLU CA C 5 56.589 58.252 -1.663 1
1 90 . 9 1 1 A 8 8 GLU HA H 5 4.091 4.317 -0.226 1
1 91 . 9 1 1 A 8 8 GLU CB C 5 29.275 29.532 -0.257 1
1 97 . 9 1 1 A 8 8 GLU C C 5 175.981 176.807 -0.826 1
1 98 . 9 1 1 A 9 9 ASP N N 6 119.780 121.508 -1.728 1
1 99 . 9 1 1 A 9 9 ASP H H 6 8.136 8.406 -0.270 1
1 100 . 9 1 1 A 9 9 ASP CA C 6 53.931 53.347 0.584 1
1 101 . 9 1 1 A 9 9 ASP HA H 6 4.492 4.971 -0.479 1
1 102 . 9 1 1 A 9 9 ASP CB C 6 40.360 41.834 -1.474 1
1 105 . 9 1 1 A 9 9 ASP C C 6 175.397 175.874 -0.477 1
1 106 . 9 1 1 A 10 10 TYR N N 7 119.939 119.503 0.436 1
1 107 . 9 1 1 A 10 10 TYR H H 7 7.902 7.763 0.139 1
1 108 . 9 1 1 A 10 10 TYR CA C 7 57.667 57.253 0.414 1
1 109 . 9 1 1 A 10 10 TYR HA H 7 4.431 4.823 -0.392 1
1 110 . 9 1 1 A 10 10 TYR CB C 7 38.236 39.463 -1.227 1
1 119 . 9 1 1 A 10 10 TYR C C 7 174.898 175.799 -0.901 1
1 120 . 9 1 1 A 11 11 TRP N N 8 122.648 121.936 0.712 1
1 121 . 9 1 1 A 11 11 TRP H H 8 7.917 8.184 -0.267 1
1 122 . 9 1 1 A 11 11 TRP CA C 8 56.562 58.932 -2.370 1
1 123 . 9 1 1 A 11 11 TRP HA H 8 4.578 4.337 0.241 1
1 124 . 9 1 1 A 11 11 TRP CB C 8 29.293 30.415 -1.122 1
1 139 . 9 1 1 A 11 11 TRP C C 8 175.212 175.953 -0.741 1
1 140 . 9 1 1 A 12 12 GLU N N 9 122.189 117.587 4.602 1
1 141 . 9 1 1 A 12 12 GLU H H 9 8.030 7.937 0.093 1
1 142 . 9 1 1 A 12 12 GLU CA C 9 55.743 55.299 0.444 1
1 143 . 9 1 1 A 12 12 GLU HA H 9 4.137 4.546 -0.409 1
1 144 . 9 1 1 A 12 12 GLU CB C 9 30.001 29.988 0.013 1
1 150 . 9 1 1 A 12 12 GLU C C 9 175.138 175.448 -0.310 1
1 151 . 9 1 1 A 13 13 ASP N N 10 121.099 124.979 -3.880 1
1 152 . 9 1 1 A 13 13 ASP H H 10 8.253 8.700 -0.447 1
1 153 . 9 1 1 A 13 13 ASP CA C 10 53.843 54.160 -0.317 1
1 154 . 9 1 1 A 13 13 ASP HA H 10 4.500 4.907 -0.407 1
1 155 . 9 1 1 A 13 13 ASP CB C 10 40.715 41.754 -1.039 1
1 158 . 9 1 1 A 13 13 ASP C C 10 175.700 175.665 0.035 1
1 159 . 9 1 1 A 14 14 GLU N N 11 121.240 120.361 0.879 1
1 160 . 9 1 1 A 14 14 GLU H H 11 8.435 7.767 0.668 1
1 161 . 9 1 1 A 14 14 GLU CA C 11 55.858 55.974 -0.116 1
1 162 . 9 1 1 A 14 14 GLU HA H 11 4.289 4.542 -0.253 1
1 163 . 9 1 1 A 14 14 GLU CB C 11 29.758 30.373 -0.615 1
1 169 . 9 1 1 A 14 14 GLU C C 11 176.002 175.397 0.605 1
1 170 . 9 1 1 A 15 15 THR N N 12 118.367 117.223 1.144 1
1 171 . 9 1 1 A 15 15 THR H H 12 8.407 7.653 0.754 1
1 172 . 9 1 1 A 15 15 THR CA C 12 59.646 60.387 -0.741 1
1 173 . 9 1 1 A 15 15 THR HA H 12 4.503 4.277 0.226 1
1 174 . 9 1 1 A 15 15 THR CB C 12 69.084 69.595 -0.511 1
1 181 . 9 1 1 A 16 16 PRO CA C 13 62.791 63.308 -0.517 1
1 182 . 9 1 1 A 16 16 PRO HA H 13 4.408 4.421 -0.013 1
1 183 . 9 1 1 A 16 16 PRO CB C 13 31.771 32.873 -1.102 1
1 191 . 9 1 1 A 16 16 PRO C C 13 176.689 176.341 0.348 1
1 192 . 9 1 1 A 17 17 GLY N N 14 109.540 107.533 2.007 1
1 193 . 9 1 1 A 17 17 GLY H H 14 8.423 8.409 0.014 1
1 194 . 9 1 1 A 17 17 GLY CA C 14 44.219 44.242 -0.023 1
1 195 . 9 1 1 A 17 17 GLY HA2 H 14 4.010 4.129 -0.119 1
1 196 . 9 1 1 A 17 17 GLY HA3 H 14 4.159 4.130 0.029 1
1 198 . 9 1 1 A 18 18 PRO CA C 15 62.843 62.725 0.118 1
1 199 . 9 1 1 A 18 18 PRO HA H 15 4.412 4.703 -0.291 1
1 200 . 9 1 1 A 18 18 PRO CB C 15 31.667 32.425 -0.758 1
1 208 . 9 1 1 A 18 18 PRO C C 15 176.447 176.160 0.287 1
1 209 . 9 1 1 A 19 19 ASP N N 16 119.197 120.747 -1.550 1
1 210 . 9 1 1 A 19 19 ASP H H 16 8.517 8.333 0.184 1
1 211 . 9 1 1 A 19 19 ASP CA C 16 53.940 53.697 0.243 1
1 212 . 9 1 1 A 19 19 ASP HA H 16 4.559 4.645 -0.086 1
1 213 . 9 1 1 A 19 19 ASP CB C 16 40.180 40.772 -0.592 1
1 216 . 9 1 1 A 19 19 ASP C C 16 175.764 176.569 -0.805 1
1 217 . 9 1 1 A 20 20 ARG N N 17 120.435 118.042 2.393 1
1 218 . 9 1 1 A 20 20 ARG H H 17 8.201 7.833 0.368 1
1 219 . 9 1 1 A 20 20 ARG CA C 17 55.216 58.139 -2.923 1
1 220 . 9 1 1 A 20 20 ARG HA H 17 4.356 4.322 0.034 1
1 221 . 9 1 1 A 20 20 ARG CB C 17 30.184 31.051 -0.867 1
1 237 . 9 1 1 A 20 20 ARG C C 17 175.724 176.186 -0.462 1
1 238 . 9 1 1 A 21 21 GLU N N 18 122.477 116.149 6.328 1
1 239 . 9 1 1 A 21 21 GLU H H 18 8.371 7.650 0.721 1
1 240 . 9 1 1 A 21 21 GLU CA C 18 53.658 55.375 -1.717 1
1 241 . 9 1 1 A 21 21 GLU HA H 18 4.657 4.477 0.180 1
1 242 . 9 1 1 A 21 21 GLU CB C 18 28.984 29.893 -0.909 1
1 249 . 9 1 1 A 22 22 PRO CA C 19 62.442 62.434 0.008 1
1 250 . 9 1 1 A 22 22 PRO HA H 19 4.516 4.556 -0.040 1
1 251 . 9 1 1 A 22 22 PRO CB C 19 31.903 33.073 -1.170 1
1 259 . 9 1 1 A 22 22 PRO C C 19 176.323 175.249 1.074 1
1 260 . 9 1 1 A 23 23 THR N N 20 112.531 114.011 -1.480 1
1 261 . 9 1 1 A 23 23 THR H H 20 7.946 8.390 -0.444 1
1 262 . 9 1 1 A 23 23 THR CA C 20 60.521 60.316 0.205 1
1 263 . 9 1 1 A 23 23 THR HA H 20 4.373 4.873 -0.500 1
1 264 . 9 1 1 A 23 23 THR CB C 20 70.238 71.923 -1.685 1
1 270 . 9 1 1 A 23 23 THR C C 20 174.678 174.627 0.051 1
1 271 . 9 1 1 A 24 24 ASN N N 21 120.631 124.565 -3.934 1
1 272 . 9 1 1 A 24 24 ASN H H 21 8.958 9.037 -0.079 1
1 273 . 9 1 1 A 24 24 ASN CA C 21 54.854 56.861 -2.007 1
1 274 . 9 1 1 A 24 24 ASN HA H 21 4.467 4.320 0.147 1
1 275 . 9 1 1 A 24 24 ASN CB C 21 37.535 38.778 -1.243 1
1 281 . 9 1 1 A 24 24 ASN C C 21 176.397 176.968 -0.571 1
1 282 . 9 1 1 A 25 25 GLU N N 22 120.237 117.617 2.620 1
1 283 . 9 1 1 A 25 25 GLU H H 22 8.644 8.267 0.377 1
1 284 . 9 1 1 A 25 25 GLU CA C 22 59.195 59.184 0.011 1
1 285 . 9 1 1 A 25 25 GLU HA H 22 4.076 4.084 -0.008 1
1 286 . 9 1 1 A 25 25 GLU CB C 22 28.567 28.637 -0.070 1
1 292 . 9 1 1 A 25 25 GLU C C 22 177.942 178.960 -1.018 1
1 293 . 9 1 1 A 26 26 LEU N N 23 122.376 123.149 -0.773 1
1 294 . 9 1 1 A 26 26 LEU H H 23 8.109 7.997 0.112 1
1 295 . 9 1 1 A 26 26 LEU CA C 23 56.940 58.152 -1.212 1
1 296 . 9 1 1 A 26 26 LEU HA H 23 4.247 4.005 0.242 1
1 297 . 9 1 1 A 26 26 LEU CB C 23 40.425 41.891 -1.466 1
1 310 . 9 1 1 A 26 26 LEU C C 23 178.298 178.334 -0.036 1
1 311 . 9 1 1 A 27 27 ARG N N 24 118.606 118.216 0.390 1
1 312 . 9 1 1 A 27 27 ARG H H 24 8.225 8.243 -0.018 1
1 313 . 9 1 1 A 27 27 ARG CA C 24 59.892 58.961 0.931 1
1 314 . 9 1 1 A 27 27 ARG HA H 24 3.875 4.044 -0.169 1
1 315 . 9 1 1 A 27 27 ARG CB C 24 28.853 29.687 -0.834 1
1 331 . 9 1 1 A 27 27 ARG C C 24 178.374 178.529 -0.155 1
1 332 . 9 1 1 A 28 28 ASN N N 25 117.812 118.554 -0.742 1
1 333 . 9 1 1 A 28 28 ASN H H 25 8.146 8.255 -0.109 1
1 334 . 9 1 1 A 28 28 ASN CA C 25 55.753 56.389 -0.636 1
1 335 . 9 1 1 A 28 28 ASN HA H 25 4.452 4.445 0.007 1
1 336 . 9 1 1 A 28 28 ASN CB C 25 37.388 38.880 -1.492 1
1 342 . 9 1 1 A 28 28 ASN C C 25 177.043 177.986 -0.943 1
1 343 . 9 1 1 A 29 29 GLU N N 26 121.177 118.141 3.036 1
1 344 . 9 1 1 A 29 29 GLU H H 26 8.247 8.589 -0.342 1
1 345 . 9 1 1 A 29 29 GLU CA C 26 58.897 59.236 -0.339 1
1 346 . 9 1 1 A 29 29 GLU HA H 26 4.075 4.071 0.004 1
1 347 . 9 1 1 A 29 29 GLU CB C 26 29.202 29.582 -0.380 1
1 353 . 9 1 1 A 29 29 GLU C C 26 180.215 179.712 0.503 1
1 354 . 9 1 1 A 30 30 VAL N N 27 123.509 121.448 2.061 1
1 355 . 9 1 1 A 30 30 VAL H H 27 8.793 8.129 0.664 1
1 356 . 9 1 1 A 30 30 VAL CA C 27 68.051 67.023 1.028 1
1 357 . 9 1 1 A 30 30 VAL HA H 27 3.413 3.506 -0.093 1
1 358 . 9 1 1 A 30 30 VAL CB C 27 31.196 31.618 -0.422 1
1 368 . 9 1 1 A 30 30 VAL C C 27 176.589 177.637 -1.048 1
1 369 . 9 1 1 A 31 31 GLU N N 28 119.159 118.455 0.704 1
1 370 . 9 1 1 A 31 31 GLU H H 28 8.042 8.686 -0.644 1
1 371 . 9 1 1 A 31 31 GLU CA C 28 59.379 59.875 -0.496 1
1 372 . 9 1 1 A 31 31 GLU HA H 28 3.946 3.914 0.032 1
1 373 . 9 1 1 A 31 31 GLU CB C 28 28.603 29.198 -0.595 1
1 379 . 9 1 1 A 31 31 GLU C C 28 179.282 179.121 0.161 1
1 380 . 9 1 1 A 32 32 GLU N N 29 118.871 120.385 -1.514 1
1 381 . 9 1 1 A 32 32 GLU H H 29 8.550 8.211 0.339 1
1 382 . 9 1 1 A 32 32 GLU CA C 29 58.770 59.435 -0.665 1
1 383 . 9 1 1 A 32 32 GLU HA H 29 4.056 4.079 -0.023 1
1 384 . 9 1 1 A 32 32 GLU CB C 29 29.214 29.740 -0.526 1
1 390 . 9 1 1 A 32 32 GLU C C 29 178.791 179.365 -0.574 1
1 391 . 9 1 1 A 33 33 THR N N 30 117.719 117.347 0.372 1
1 392 . 9 1 1 A 33 33 THR H H 30 8.205 8.127 0.078 1
1 393 . 9 1 1 A 33 33 THR CA C 30 67.465 67.078 0.387 1
1 394 . 9 1 1 A 33 33 THR HA H 30 3.816 3.923 -0.107 1
1 395 . 9 1 1 A 33 33 THR CB C 30 66.888 68.206 -1.318 1
1 401 . 9 1 1 A 33 33 THR C C 30 175.681 176.902 -1.221 1
1 402 . 9 1 1 A 34 34 ILE N N 31 123.925 121.761 2.164 1
1 403 . 9 1 1 A 34 34 ILE H H 31 8.698 8.049 0.649 1
1 404 . 9 1 1 A 34 34 ILE CA C 31 66.438 64.659 1.779 1
1 405 . 9 1 1 A 34 34 ILE HA H 31 3.442 3.730 -0.288 1
1 406 . 9 1 1 A 34 34 ILE CB C 31 37.311 37.331 -0.020 1
1 416 . 9 1 1 A 34 34 ILE C C 31 176.731 178.124 -1.393 1
1 417 . 9 1 1 A 35 35 THR N N 32 116.478 118.579 -2.101 1
1 418 . 9 1 1 A 35 35 THR H H 32 7.956 8.090 -0.134 1
1 419 . 9 1 1 A 35 35 THR CA C 32 66.447 67.194 -0.747 1
1 420 . 9 1 1 A 35 35 THR HA H 32 3.929 3.911 0.018 1
1 421 . 9 1 1 A 35 35 THR CB C 32 67.964 68.073 -0.109 1
1 427 . 9 1 1 A 35 35 THR C C 32 176.226 176.664 -0.438 1
1 428 . 9 1 1 A 36 36 LEU N N 33 119.834 120.217 -0.383 1
1 429 . 9 1 1 A 36 36 LEU H H 33 7.663 8.235 -0.572 1
1 430 . 9 1 1 A 36 36 LEU CA C 33 57.274 57.853 -0.579 1
1 431 . 9 1 1 A 36 36 LEU HA H 33 4.075 4.054 0.021 1
1 432 . 9 1 1 A 36 36 LEU CB C 33 42.188 41.266 0.922 1
1 445 . 9 1 1 A 36 36 LEU C C 33 179.412 179.772 -0.360 1
1 446 . 9 1 1 A 37 37 MET N N 34 119.993 117.717 2.276 1
1 447 . 9 1 1 A 37 37 MET H H 34 8.509 8.563 -0.054 1
1 448 . 9 1 1 A 37 37 MET CA C 34 57.865 57.990 -0.125 1
1 449 . 9 1 1 A 37 37 MET HA H 34 3.865 4.173 -0.308 1
1 450 . 9 1 1 A 37 37 MET CB C 34 28.735 32.283 -3.548 1
1 460 . 9 1 1 A 37 37 MET C C 34 178.772 177.986 0.786 1
1 461 . 9 1 1 A 38 38 GLU N N 35 120.011 120.662 -0.651 1
1 462 . 9 1 1 A 38 38 GLU H H 35 8.321 8.255 0.066 1
1 463 . 9 1 1 A 38 38 GLU CA C 35 58.442 58.941 -0.499 1
1 464 . 9 1 1 A 38 38 GLU HA H 35 3.928 4.054 -0.126 1
1 465 . 9 1 1 A 38 38 GLU CB C 35 28.943 29.679 -0.736 1
1 471 . 9 1 1 A 38 38 GLU C C 35 176.040 177.836 -1.796 1
1 472 . 9 1 1 A 39 39 LEU N N 36 118.349 117.731 0.618 1
1 473 . 9 1 1 A 39 39 LEU H H 36 7.441 7.277 0.164 1
1 474 . 9 1 1 A 39 39 LEU CA C 36 54.614 53.980 0.634 1
1 475 . 9 1 1 A 39 39 LEU HA H 36 4.393 4.464 -0.071 1
1 476 . 9 1 1 A 39 39 LEU CB C 36 42.210 41.250 0.960 1
1 489 . 9 1 1 A 39 39 LEU C C 36 178.113 176.422 1.691 1
1 490 . 9 1 1 A 40 40 LEU N N 37 118.362 121.876 -3.514 1
1 491 . 9 1 1 A 40 40 LEU H H 37 7.464 7.480 -0.016 1
1 492 . 9 1 1 A 40 40 LEU CA C 37 54.659 55.824 -1.165 1
1 493 . 9 1 1 A 40 40 LEU HA H 37 4.400 4.242 0.158 1
1 494 . 9 1 1 A 40 40 LEU CB C 37 40.993 42.713 -1.720 1
1 507 . 9 1 1 A 40 40 LEU C C 37 177.827 176.347 1.480 1
1 508 . 9 1 1 A 41 41 LYS N N 38 120.851 122.304 -1.453 1
1 509 . 9 1 1 A 41 41 LYS H H 38 9.254 8.508 0.746 1
1 510 . 9 1 1 A 41 41 LYS CA C 38 54.727 54.293 0.434 1
1 511 . 9 1 1 A 41 41 LYS HA H 38 4.572 4.701 -0.129 1
1 512 . 9 1 1 A 41 41 LYS CB C 38 33.768 34.827 -1.059 1
1 524 . 9 1 1 A 41 41 LYS C C 38 177.911 177.759 0.152 1
1 525 . 9 1 1 A 42 42 VAL N N 39 122.215 123.117 -0.902 1
1 526 . 9 1 1 A 42 42 VAL H H 39 9.039 8.748 0.291 1
1 527 . 9 1 1 A 42 42 VAL CA C 39 67.408 65.376 2.032 1
1 528 . 9 1 1 A 42 42 VAL HA H 39 3.699 3.696 0.003 1
1 529 . 9 1 1 A 42 42 VAL CB C 39 31.056 31.693 -0.637 1
1 539 . 9 1 1 A 42 42 VAL C C 39 176.560 177.918 -1.358 1
1 540 . 9 1 1 A 43 43 SER N N 40 114.377 116.664 -2.287 1
1 541 . 9 1 1 A 43 43 SER H H 40 8.686 8.109 0.577 1
1 542 . 9 1 1 A 43 43 SER CA C 40 61.144 61.308 -0.164 1
1 543 . 9 1 1 A 43 43 SER HA H 40 3.933 4.060 -0.127 1
1 544 . 9 1 1 A 43 43 SER CB C 40 60.933 63.145 -2.212 1
1 547 . 9 1 1 A 43 43 SER C C 40 175.910 177.364 -1.454 1
1 548 . 9 1 1 A 44 44 GLU N N 41 122.833 121.916 0.917 1
1 549 . 9 1 1 A 44 44 GLU H H 41 6.661 8.165 -1.504 1
1 550 . 9 1 1 A 44 44 GLU CA C 41 57.315 58.803 -1.488 1
1 551 . 9 1 1 A 44 44 GLU HA H 41 4.363 4.130 0.233 1
1 552 . 9 1 1 A 44 44 GLU CB C 41 30.399 29.365 1.034 1
1 558 . 9 1 1 A 44 44 GLU C C 41 178.185 179.172 -0.987 1
1 559 . 9 1 1 A 45 45 LEU N N 42 119.110 120.287 -1.177 1
1 560 . 9 1 1 A 45 45 LEU H H 42 8.393 8.740 -0.347 1
1 561 . 9 1 1 A 45 45 LEU CA C 42 57.359 57.625 -0.266 1
1 562 . 9 1 1 A 45 45 LEU HA H 42 3.918 3.895 0.023 1
1 563 . 9 1 1 A 45 45 LEU CB C 42 42.476 41.661 0.815 1
1 576 . 9 1 1 A 45 45 LEU C C 42 179.735 179.193 0.542 1
1 577 . 9 1 1 A 46 46 LYS N N 43 118.025 117.129 0.896 1
1 578 . 9 1 1 A 46 46 LYS H H 43 8.596 8.115 0.481 1
1 579 . 9 1 1 A 46 46 LYS CA C 43 60.844 60.318 0.526 1
1 580 . 9 1 1 A 46 46 LYS HA H 43 3.816 3.887 -0.071 1
1 581 . 9 1 1 A 46 46 LYS CB C 43 31.918 32.141 -0.223 1
1 593 . 9 1 1 A 46 46 LYS C C 43 177.672 179.163 -1.491 1
1 594 . 9 1 1 A 47 47 ASP N N 44 119.267 119.517 -0.250 1
1 595 . 9 1 1 A 47 47 ASP H H 44 7.448 8.148 -0.700 1
1 596 . 9 1 1 A 47 47 ASP CA C 44 57.422 57.353 0.069 1
1 597 . 9 1 1 A 47 47 ASP HA H 44 4.555 4.347 0.208 1
1 598 . 9 1 1 A 47 47 ASP CB C 44 39.264 40.790 -1.526 1
1 601 . 9 1 1 A 47 47 ASP C C 44 179.284 178.959 0.325 1
1 602 . 9 1 1 A 48 48 ILE N N 45 120.817 119.157 1.660 1
1 603 . 9 1 1 A 48 48 ILE H H 45 7.871 8.081 -0.210 1
1 604 . 9 1 1 A 48 48 ILE CA C 45 64.604 65.344 -0.740 1
1 605 . 9 1 1 A 48 48 ILE HA H 45 3.653 3.511 0.142 1
1 606 . 9 1 1 A 48 48 ILE CB C 45 36.293 38.310 -2.017 1
1 619 . 9 1 1 A 48 48 ILE C C 45 177.180 177.423 -0.243 1
1 620 . 9 1 1 A 49 49 CYS N N 46 117.775 119.611 -1.836 1
1 621 . 9 1 1 A 49 49 CYS H H 46 8.543 8.202 0.341 1
1 622 . 9 1 1 A 49 49 CYS CA C 46 64.971 63.292 1.679 1
1 623 . 9 1 1 A 49 49 CYS HA H 46 3.852 3.927 -0.075 1
1 624 . 9 1 1 A 49 49 CYS CB C 46 25.872 26.824 -0.952 1
1 627 . 9 1 1 A 49 49 CYS C C 46 176.288 177.253 -0.965 1
1 628 . 9 1 1 A 50 50 ARG N N 47 118.702 122.916 -4.214 1
1 629 . 9 1 1 A 50 50 ARG H H 47 8.626 8.028 0.598 1
1 630 . 9 1 1 A 50 50 ARG CA C 47 58.983 59.162 -0.179 1
1 631 . 9 1 1 A 50 50 ARG HA H 47 4.058 4.095 -0.037 1
1 632 . 9 1 1 A 50 50 ARG CB C 47 29.512 30.232 -0.720 1
1 648 . 9 1 1 A 50 50 ARG C C 47 179.270 177.985 1.285 1
1 649 . 9 1 1 A 51 51 SER N N 48 114.502 114.365 0.137 1
1 650 . 9 1 1 A 51 51 SER H H 48 7.514 7.841 -0.327 1
1 651 . 9 1 1 A 51 51 SER CA C 48 61.745 61.729 0.016 1
1 652 . 9 1 1 A 51 51 SER HA H 48 4.308 4.229 0.079 1
1 653 . 9 1 1 A 51 51 SER CB C 48 62.780 63.279 -0.499 1
1 656 . 9 1 1 A 51 51 SER C C 48 176.764 177.402 -0.638 1
1 657 . 9 1 1 A 52 52 VAL N N 49 113.832 120.649 -6.817 1
1 658 . 9 1 1 A 52 52 VAL H H 49 7.511 7.981 -0.470 1
1 659 . 9 1 1 A 52 52 VAL CA C 49 60.751 63.876 -3.125 1
1 660 . 9 1 1 A 52 52 VAL HA H 49 3.760 3.593 0.167 1
1 661 . 9 1 1 A 52 52 VAL CB C 49 30.719 31.274 -0.555 1
1 671 . 9 1 1 A 52 52 VAL C C 49 173.462 175.258 -1.796 1
1 672 . 9 1 1 A 53 53 SER N N 50 112.698 115.354 -2.656 1
1 673 . 9 1 1 A 53 53 SER H H 50 7.653 7.832 -0.179 1
1 674 . 9 1 1 A 53 53 SER CA C 50 59.025 59.679 -0.654 1
1 675 . 9 1 1 A 53 53 SER HA H 50 3.911 4.144 -0.233 1
1 676 . 9 1 1 A 53 53 SER CB C 50 60.895 61.610 -0.715 1
1 679 . 9 1 1 A 53 53 SER C C 50 174.065 173.454 0.611 1
1 680 . 9 1 1 A 54 54 PHE N N 51 120.132 119.794 0.338 1
1 681 . 9 1 1 A 54 54 PHE H H 51 8.332 7.841 0.491 1
1 682 . 9 1 1 A 54 54 PHE CA C 51 51.743 56.553 -4.810 1
1 683 . 9 1 1 A 54 54 PHE HA H 51 5.171 4.506 0.665 1
1 684 . 9 1 1 A 54 54 PHE CB C 51 37.762 38.997 -1.235 1
1 696 . 9 1 1 A 55 55 PRO CA C 52 62.176 62.587 -0.411 1
1 697 . 9 1 1 A 55 55 PRO HA H 52 4.417 4.656 -0.239 1
1 698 . 9 1 1 A 55 55 PRO CB C 52 31.347 31.602 -0.255 1
1 706 . 9 1 1 A 55 55 PRO C C 52 176.296 177.008 -0.712 1
1 707 . 9 1 1 A 56 56 VAL N N 53 109.933 125.217 -15.284 1
1 708 . 9 1 1 A 56 56 VAL H H 53 7.986 8.880 -0.894 1
1 709 . 9 1 1 A 56 56 VAL CA C 53 59.863 62.272 -2.409 1
1 710 . 9 1 1 A 56 56 VAL HA H 53 4.404 4.373 0.031 1
1 711 . 9 1 1 A 56 56 VAL CB C 53 31.483 31.889 -0.406 1
1 721 . 9 1 1 A 56 56 VAL C C 53 175.074 175.996 -0.922 1
1 722 . 9 1 1 A 57 57 SER N N 54 114.614 116.565 -1.951 1
1 723 . 9 1 1 A 57 57 SER H H 54 7.304 7.798 -0.494 1
1 724 . 9 1 1 A 57 57 SER CA C 54 57.295 60.574 -3.279 1
1 725 . 9 1 1 A 57 57 SER HA H 54 4.363 4.327 0.036 1
1 726 . 9 1 1 A 57 57 SER CB C 54 63.351 63.156 0.195 1
1 729 . 9 1 1 A 57 57 SER C C 54 174.225 175.239 -1.014 1
1 730 . 9 1 1 A 58 58 GLY N N 55 110.300 110.087 0.213 1
1 731 . 9 1 1 A 58 58 GLY H H 55 8.545 7.876 0.669 1
1 732 . 9 1 1 A 58 58 GLY CA C 55 43.806 44.312 -0.506 1
1 733 . 9 1 1 A 58 58 GLY HA2 H 55 4.009 4.013 -0.004 1
1 734 . 9 1 1 A 58 58 GLY HA3 H 55 3.715 4.014 -0.299 1
1 735 . 9 1 1 A 58 58 GLY C C 55 172.483 173.230 -0.747 1
1 736 . 9 1 1 A 59 59 ARG N N 56 116.392 120.061 -3.669 1
1 737 . 9 1 1 A 59 59 ARG H H 56 7.913 8.593 -0.680 1
1 738 . 9 1 1 A 59 59 ARG CA C 56 54.769 53.999 0.770 1
1 739 . 9 1 1 A 59 59 ARG HA H 56 4.371 4.901 -0.530 1
1 740 . 9 1 1 A 59 59 ARG CB C 56 30.447 33.330 -2.883 1
1 752 . 9 1 1 A 59 59 ARG C C 56 176.019 176.135 -0.116 1
1 753 . 9 1 1 A 60 60 LYS N N 57 122.009 117.812 4.197 1
1 754 . 9 1 1 A 60 60 LYS H H 57 8.811 8.852 -0.041 1
1 755 . 9 1 1 A 60 60 LYS CA C 57 61.236 59.037 2.199 1
1 756 . 9 1 1 A 60 60 LYS HA H 57 3.606 4.020 -0.414 1
1 757 . 9 1 1 A 60 60 LYS CB C 57 32.419 31.900 0.519 1
1 769 . 9 1 1 A 60 60 LYS C C 57 176.824 178.528 -1.704 1
1 770 . 9 1 1 A 61 61 ALA N N 58 116.880 121.880 -5.000 1
1 771 . 9 1 1 A 61 61 ALA H H 58 8.794 7.811 0.983 1
1 772 . 9 1 1 A 61 61 ALA CA C 58 54.617 55.087 -0.470 1
1 773 . 9 1 1 A 61 61 ALA HA H 58 4.129 4.357 -0.228 1
1 777 . 9 1 1 A 61 61 ALA CB C 58 18.103 18.388 -0.285 1
1 778 . 9 1 1 A 61 61 ALA C C 58 179.574 180.002 -0.428 1
1 779 . 9 1 1 A 62 62 VAL N N 59 117.408 118.482 -1.074 1
1 780 . 9 1 1 A 62 62 VAL H H 59 7.047 7.691 -0.644 1
1 781 . 9 1 1 A 62 62 VAL CA C 59 64.864 67.038 -2.174 1
1 782 . 9 1 1 A 62 62 VAL HA H 59 3.701 3.497 0.204 1
1 783 . 9 1 1 A 62 62 VAL CB C 59 31.301 31.346 -0.045 1
1 793 . 9 1 1 A 62 62 VAL C C 59 178.103 178.192 -0.089 1
1 794 . 9 1 1 A 63 63 LEU N N 60 119.573 119.673 -0.100 1
1 795 . 9 1 1 A 63 63 LEU H H 60 7.585 8.171 -0.586 1
1 796 . 9 1 1 A 63 63 LEU CA C 60 57.571 58.234 -0.663 1
1 797 . 9 1 1 A 63 63 LEU HA H 60 3.923 3.811 0.112 1
1 798 . 9 1 1 A 63 63 LEU CB C 60 41.711 41.722 -0.011 1
1 810 . 9 1 1 A 63 63 LEU C C 60 178.692 178.984 -0.292 1
1 811 . 9 1 1 A 64 64 GLN N N 61 114.206 117.313 -3.107 1
1 812 . 9 1 1 A 64 64 GLN H H 61 8.373 8.469 -0.096 1
1 813 . 9 1 1 A 64 64 GLN CA C 61 58.039 58.426 -0.387 1
1 814 . 9 1 1 A 64 64 GLN HA H 61 4.090 4.007 0.083 1
1 815 . 9 1 1 A 64 64 GLN CB C 61 28.670 28.557 0.113 1
1 821 . 9 1 1 A 64 64 GLN C C 61 178.207 177.328 0.879 1
1 822 . 9 1 1 A 65 65 ASP N N 62 118.671 120.317 -1.646 1
1 823 . 9 1 1 A 65 65 ASP H H 62 7.973 7.895 0.078 1
1 824 . 9 1 1 A 65 65 ASP CA C 62 56.961 57.404 -0.443 1
1 825 . 9 1 1 A 65 65 ASP HA H 62 4.353 4.467 -0.114 1
1 826 . 9 1 1 A 65 65 ASP CB C 62 39.856 40.734 -0.878 1
1 829 . 9 1 1 A 65 65 ASP C C 62 178.113 178.967 -0.854 1
1 830 . 9 1 1 A 66 66 LEU N N 63 119.708 120.832 -1.124 1
1 831 . 9 1 1 A 66 66 LEU H H 63 7.970 8.140 -0.170 1
1 832 . 9 1 1 A 66 66 LEU CA C 63 57.549 58.017 -0.468 1
1 833 . 9 1 1 A 66 66 LEU HA H 63 3.838 4.062 -0.224 1
1 834 . 9 1 1 A 66 66 LEU CB C 63 41.235 42.005 -0.770 1
1 847 . 9 1 1 A 66 66 LEU C C 63 180.041 178.987 1.054 1
1 848 . 9 1 1 A 67 67 ILE N N 64 118.309 119.394 -1.085 1
1 849 . 9 1 1 A 67 67 ILE H H 64 7.555 7.992 -0.437 1
1 850 . 9 1 1 A 67 67 ILE CA C 64 63.895 65.049 -1.154 1
1 851 . 9 1 1 A 67 67 ILE HA H 64 3.794 3.328 0.466 1
1 852 . 9 1 1 A 67 67 ILE CB C 64 37.181 37.343 -0.162 1
1 865 . 9 1 1 A 67 67 ILE C C 64 176.949 178.006 -1.057 1
1 866 . 9 1 1 A 68 68 ARG N N 65 122.359 120.422 1.937 1
1 867 . 9 1 1 A 68 68 ARG H H 65 9.489 8.308 1.181 1
1 868 . 9 1 1 A 68 68 ARG CA C 65 60.488 59.997 0.491 1
1 869 . 9 1 1 A 68 68 ARG HA H 65 3.692 3.924 -0.232 1
1 870 . 9 1 1 A 68 68 ARG CB C 65 29.897 30.085 -0.188 1
1 880 . 9 1 1 A 68 68 ARG C C 65 177.728 179.169 -1.441 1
1 881 . 9 1 1 A 69 69 ASN N N 66 116.248 116.271 -0.023 1
1 882 . 9 1 1 A 69 69 ASN H H 66 8.546 8.475 0.071 1
1 883 . 9 1 1 A 69 69 ASN CA C 66 55.945 56.412 -0.467 1
1 884 . 9 1 1 A 69 69 ASN HA H 66 4.391 4.514 -0.123 1
1 885 . 9 1 1 A 69 69 ASN CB C 66 37.828 38.058 -0.230 1
1 891 . 9 1 1 A 69 69 ASN C C 66 176.520 178.577 -2.057 1
1 892 . 9 1 1 A 70 70 PHE N N 67 121.134 119.018 2.116 1
1 893 . 9 1 1 A 70 70 PHE H H 67 7.693 8.254 -0.561 1
1 894 . 9 1 1 A 70 70 PHE CA C 67 60.170 60.708 -0.538 1
1 895 . 9 1 1 A 70 70 PHE HA H 67 4.535 4.323 0.212 1
1 896 . 9 1 1 A 70 70 PHE CB C 67 39.838 39.120 0.718 1
1 902 . 9 1 1 A 70 70 PHE C C 67 177.756 178.279 -0.523 1
1 903 . 9 1 1 A 71 71 LEU N N 68 117.959 119.697 -1.738 1
1 904 . 9 1 1 A 71 71 LEU H H 68 8.336 8.678 -0.342 1
1 905 . 9 1 1 A 71 71 LEU CA C 68 57.468 57.921 -0.453 1
1 906 . 9 1 1 A 71 71 LEU HA H 68 3.828 3.968 -0.140 1
1 907 . 9 1 1 A 71 71 LEU CB C 68 42.156 41.295 0.861 1
1 919 . 9 1 1 A 71 71 LEU C C 68 178.037 179.311 -1.274 1
1 920 . 9 1 1 A 72 72 GLN N N 69 117.479 118.343 -0.864 1
1 921 . 9 1 1 A 72 72 GLN H H 69 8.802 8.211 0.591 1
1 922 . 9 1 1 A 72 72 GLN CA C 69 58.632 59.226 -0.594 1
1 923 . 9 1 1 A 72 72 GLN HA H 69 3.906 4.028 -0.122 1
1 924 . 9 1 1 A 72 72 GLN CB C 69 27.010 28.104 -1.094 1
1 933 . 9 1 1 A 72 72 GLN C C 69 179.337 177.969 1.368 1
1 934 . 9 1 1 A 73 73 ASN N N 70 117.551 116.379 1.172 1
1 935 . 9 1 1 A 73 73 ASN H H 70 8.124 8.352 -0.228 1
1 936 . 9 1 1 A 73 73 ASN CA C 70 54.051 54.942 -0.891 1
1 937 . 9 1 1 A 73 73 ASN HA H 70 4.602 4.511 0.091 1
1 938 . 9 1 1 A 73 73 ASN CB C 70 37.810 38.459 -0.649 1
1 944 . 9 1 1 A 73 73 ASN C C 70 175.490 177.752 -2.262 1
1 945 . 9 1 1 A 74 74 ALA N N 71 120.962 120.823 0.139 1
1 946 . 9 1 1 A 74 74 ALA H H 71 7.787 7.615 0.172 1
1 947 . 9 1 1 A 74 74 ALA CA C 71 53.143 54.197 -1.054 1
1 948 . 9 1 1 A 74 74 ALA HA H 71 4.193 4.085 0.108 1
1 952 . 9 1 1 A 74 74 ALA CB C 71 19.064 18.532 0.532 1
1 953 . 9 1 1 A 74 74 ALA C C 71 176.255 177.872 -1.617 1
1 954 . 9 1 1 A 75 75 LEU N N 72 112.822 111.167 1.655 1
1 955 . 9 1 1 A 75 75 LEU H H 72 7.381 7.526 -0.145 1
1 956 . 9 1 1 A 75 75 LEU CA C 72 52.987 53.583 -0.596 1
1 957 . 9 1 1 A 75 75 LEU HA H 72 4.305 4.566 -0.261 1
1 958 . 9 1 1 A 75 75 LEU CB C 72 41.490 41.857 -0.367 1
1 971 . 9 1 1 A 75 75 LEU C C 72 175.867 175.931 -0.064 1
1 972 . 9 1 1 A 76 76 VAL N N 73 120.671 122.500 -1.829 1
1 973 . 9 1 1 A 76 76 VAL H H 73 6.797 7.980 -1.183 1
1 974 . 9 1 1 A 76 76 VAL CA C 73 62.994 60.590 2.404 1
1 975 . 9 1 1 A 76 76 VAL HA H 73 3.707 4.476 -0.769 1
1 976 . 9 1 1 A 76 76 VAL CB C 73 32.014 34.423 -2.409 1
1 986 . 9 1 1 A 76 76 VAL C C 73 176.144 175.854 0.290 1
1 987 . 9 1 1 A 77 77 VAL N N 74 128.303 125.808 2.495 1
1 988 . 9 1 1 A 77 77 VAL H H 74 8.407 8.564 -0.157 1
1 989 . 9 1 1 A 77 77 VAL CA C 74 64.673 65.178 -0.505 1
1 990 . 9 1 1 A 77 77 VAL HA H 74 3.651 3.539 0.112 1
1 991 . 9 1 1 A 77 77 VAL CB C 74 30.789 31.441 -0.652 1
1 1001 . 9 1 1 A 77 77 VAL C C 74 176.911 177.384 -0.473 1
1 1002 . 9 1 1 A 78 78 GLY N N 75 116.087 115.638 0.449 1
1 1003 . 9 1 1 A 78 78 GLY H H 75 8.827 8.938 -0.111 1
1 1004 . 9 1 1 A 78 78 GLY CA C 75 45.004 46.279 -1.275 1
1 1005 . 9 1 1 A 78 78 GLY HA2 H 75 4.236 3.934 0.302 1
1 1006 . 9 1 1 A 78 78 GLY HA3 H 75 3.738 3.935 -0.197 1
1 1007 . 9 1 1 A 78 78 GLY C C 75 173.779 174.389 -0.610 1
1 1008 . 9 1 1 A 79 79 LYS N N 76 121.612 120.458 1.154 1
1 1009 . 9 1 1 A 79 79 LYS H H 76 8.140 7.758 0.382 1
1 1010 . 9 1 1 A 79 79 LYS CA C 76 54.078 55.446 -1.368 1
1 1011 . 9 1 1 A 79 79 LYS HA H 76 4.588 4.547 0.041 1
1 1012 . 9 1 1 A 79 79 LYS CB C 76 32.708 33.564 -0.856 1
1 1024 . 9 1 1 A 79 79 LYS C C 76 175.177 175.231 -0.054 1
1 1025 . 9 1 1 A 80 80 SER N N 77 117.166 117.258 -0.092 1
1 1026 . 9 1 1 A 80 80 SER H H 77 8.241 7.643 0.598 1
1 1027 . 9 1 1 A 80 80 SER CA C 77 59.173 59.588 -0.415 1
1 1028 . 9 1 1 A 80 80 SER HA H 77 4.356 4.386 -0.030 1
1 1029 . 9 1 1 A 80 80 SER CB C 77 63.288 63.725 -0.437 1
1 1032 . 9 1 1 A 80 80 SER C C 77 174.793 173.360 1.433 1
1 1033 . 9 1 1 A 81 81 ASP N N 78 118.775 122.994 -4.219 1
1 1034 . 9 1 1 A 81 81 ASP H H 78 8.506 8.744 -0.238 1
1 1035 . 9 1 1 A 81 81 ASP CA C 78 50.069 51.455 -1.386 1
1 1036 . 9 1 1 A 81 81 ASP HA H 78 5.423 5.150 0.273 1
1 1037 . 9 1 1 A 81 81 ASP CB C 78 41.498 41.390 0.108 1
1 1041 . 9 1 1 A 82 82 PRO CA C 79 63.656 64.470 -0.814 1
1 1042 . 9 1 1 A 82 82 PRO HA H 79 4.271 4.337 -0.066 1
1 1043 . 9 1 1 A 82 82 PRO CB C 79 31.303 31.842 -0.539 1
1 1051 . 9 1 1 A 82 82 PRO C C 79 178.645 178.303 0.342 1
1 1052 . 9 1 1 A 83 83 TYR N N 80 117.360 117.742 -0.382 1
1 1053 . 9 1 1 A 83 83 TYR H H 80 7.561 7.373 0.188 1
1 1054 . 9 1 1 A 83 83 TYR CA C 80 59.635 61.503 -1.868 1
1 1055 . 9 1 1 A 83 83 TYR HA H 80 4.163 4.413 -0.250 1
1 1056 . 9 1 1 A 83 83 TYR CB C 80 35.602 38.392 -2.790 1
1 1065 . 9 1 1 A 83 83 TYR C C 80 176.904 178.474 -1.570 1
1 1066 . 9 1 1 A 84 84 ARG N N 81 120.833 119.336 1.497 1
1 1067 . 9 1 1 A 84 84 ARG H H 81 7.898 8.274 -0.376 1
1 1068 . 9 1 1 A 84 84 ARG CA C 81 58.332 59.289 -0.957 1
1 1069 . 9 1 1 A 84 84 ARG HA H 81 4.615 4.144 0.471 1
1 1070 . 9 1 1 A 84 84 ARG CB C 81 28.242 29.917 -1.675 1
1 1071 . 9 1 1 A 84 84 ARG C C 81 176.940 179.302 -2.362 1
1 1072 . 9 1 1 A 85 85 VAL N N 82 117.345 120.151 -2.806 1
1 1073 . 9 1 1 A 85 85 VAL H H 82 6.971 8.085 -1.114 1
1 1074 . 9 1 1 A 85 85 VAL CA C 82 65.663 66.649 -0.986 1
1 1075 . 9 1 1 A 85 85 VAL HA H 82 3.417 3.540 -0.123 1
1 1076 . 9 1 1 A 85 85 VAL CB C 82 31.165 31.715 -0.550 1
1 1085 . 9 1 1 A 85 85 VAL C C 82 176.601 177.699 -1.098 1
1 1086 . 9 1 1 A 86 86 GLN N N 83 117.137 120.494 -3.357 1
1 1087 . 9 1 1 A 86 86 GLN H H 83 7.536 8.521 -0.985 1
1 1088 . 9 1 1 A 86 86 GLN CA C 83 58.230 58.512 -0.282 1
1 1089 . 9 1 1 A 86 86 GLN HA H 83 3.953 4.127 -0.174 1
1 1090 . 9 1 1 A 86 86 GLN CB C 83 28.240 28.701 -0.461 1
1 1099 . 9 1 1 A 86 86 GLN C C 83 178.602 178.129 0.473 1
1 1100 . 9 1 1 A 87 87 ALA N N 84 121.452 122.435 -0.983 1
1 1101 . 9 1 1 A 87 87 ALA H H 84 8.843 7.974 0.869 1
1 1102 . 9 1 1 A 87 87 ALA CA C 84 54.905 55.227 -0.322 1
1 1103 . 9 1 1 A 87 87 ALA HA H 84 4.048 4.209 -0.161 1
1 1107 . 9 1 1 A 87 87 ALA CB C 84 18.088 18.695 -0.607 1
1 1108 . 9 1 1 A 87 87 ALA C C 84 178.498 179.900 -1.402 1
1 1109 . 9 1 1 A 88 88 VAL N N 85 117.570 118.185 -0.615 1
1 1110 . 9 1 1 A 88 88 VAL H H 85 8.515 8.253 0.262 1
1 1111 . 9 1 1 A 88 88 VAL CA C 85 67.315 66.466 0.849 1
1 1112 . 9 1 1 A 88 88 VAL HA H 85 3.764 3.490 0.274 1
1 1113 . 9 1 1 A 88 88 VAL CB C 85 30.610 31.670 -1.060 1
1 1123 . 9 1 1 A 88 88 VAL C C 85 177.138 177.765 -0.627 1
1 1124 . 9 1 1 A 89 89 LYS N N 86 120.005 120.419 -0.414 1
1 1125 . 9 1 1 A 89 89 LYS H H 86 8.612 8.457 0.155 1
1 1126 . 9 1 1 A 89 89 LYS CA C 86 60.851 59.530 1.321 1
1 1127 . 9 1 1 A 89 89 LYS HA H 86 3.827 3.988 -0.161 1
1 1128 . 9 1 1 A 89 89 LYS CB C 86 31.974 32.212 -0.238 1
1 1140 . 9 1 1 A 89 89 LYS C C 86 178.096 178.762 -0.666 1
1 1141 . 9 1 1 A 90 90 PHE N N 87 119.839 120.468 -0.629 1
1 1142 . 9 1 1 A 90 90 PHE H H 87 8.184 8.047 0.137 1
1 1143 . 9 1 1 A 90 90 PHE CA C 87 60.604 61.333 -0.729 1
1 1144 . 9 1 1 A 90 90 PHE HA H 87 4.302 4.210 0.092 1
1 1145 . 9 1 1 A 90 90 PHE CB C 87 38.349 39.322 -0.973 1
1 1154 . 9 1 1 A 90 90 PHE C C 87 177.748 177.474 0.274 1
1 1155 . 9 1 1 A 91 91 LEU N N 88 118.977 119.770 -0.793 1
1 1156 . 9 1 1 A 91 91 LEU H H 88 8.604 8.495 0.109 1
1 1157 . 9 1 1 A 91 91 LEU CA C 88 58.058 58.448 -0.390 1
1 1158 . 9 1 1 A 91 91 LEU HA H 88 3.975 3.837 0.138 1
1 1159 . 9 1 1 A 91 91 LEU CB C 88 41.114 41.944 -0.830 1
1 1169 . 9 1 1 A 91 91 LEU C C 88 178.106 179.173 -1.067 1
1 1170 . 9 1 1 A 92 92 ILE N N 89 118.378 118.660 -0.282 1
1 1171 . 9 1 1 A 92 92 ILE H H 89 8.420 8.240 0.180 1
1 1172 . 9 1 1 A 92 92 ILE CA C 89 65.761 65.613 0.148 1
1 1173 . 9 1 1 A 92 92 ILE HA H 89 3.542 3.444 0.098 1
1 1174 . 9 1 1 A 92 92 ILE CB C 89 37.372 37.923 -0.551 1
1 1184 . 9 1 1 A 92 92 ILE C C 89 176.952 178.130 -1.178 1
1 1185 . 9 1 1 A 93 93 GLU N N 90 120.262 120.561 -0.299 1
1 1186 . 9 1 1 A 93 93 GLU H H 90 8.133 8.125 0.008 1
1 1187 . 9 1 1 A 93 93 GLU CA C 90 58.766 59.871 -1.105 1
1 1188 . 9 1 1 A 93 93 GLU HA H 90 4.038 3.832 0.206 1
1 1189 . 9 1 1 A 93 93 GLU CB C 90 28.466 29.083 -0.617 1
1 1195 . 9 1 1 A 93 93 GLU C C 90 178.689 179.045 -0.356 1
1 1196 . 9 1 1 A 94 94 ARG N N 91 117.630 119.333 -1.703 1
1 1197 . 9 1 1 A 94 94 ARG H H 91 7.952 8.064 -0.112 1
1 1198 . 9 1 1 A 94 94 ARG CA C 91 58.343 58.837 -0.494 1
1 1199 . 9 1 1 A 94 94 ARG HA H 91 3.941 3.938 0.003 1
1 1200 . 9 1 1 A 94 94 ARG CB C 91 29.048 29.863 -0.815 1
1 1215 . 9 1 1 A 94 94 ARG C C 91 178.875 178.704 0.171 1
1 1216 . 9 1 1 A 95 95 ILE N N 92 120.056 121.124 -1.068 1
1 1217 . 9 1 1 A 95 95 ILE H H 92 8.225 7.939 0.286 1
1 1218 . 9 1 1 A 95 95 ILE CA C 92 63.296 65.091 -1.795 1
1 1219 . 9 1 1 A 95 95 ILE HA H 92 3.972 3.705 0.267 1
1 1220 . 9 1 1 A 95 95 ILE CB C 92 36.921 37.953 -1.032 1
1 1233 . 9 1 1 A 95 95 ILE C C 92 180.242 178.515 1.727 1
1 1234 . 9 1 1 A 96 96 ARG N N 93 121.023 120.724 0.299 1
1 1235 . 9 1 1 A 96 96 ARG H H 93 8.259 8.933 -0.674 1
1 1236 . 9 1 1 A 96 96 ARG CA C 93 58.401 57.784 0.617 1
1 1237 . 9 1 1 A 96 96 ARG HA H 93 4.068 4.157 -0.089 1
1 1238 . 9 1 1 A 96 96 ARG CB C 93 29.474 29.055 0.419 1
1 1254 . 9 1 1 A 96 96 ARG C C 93 177.500 177.106 0.394 1
1 1255 . 9 1 1 A 97 97 LYS N N 94 116.750 117.504 -0.754 1
1 1256 . 9 1 1 A 97 97 LYS H H 94 7.527 7.525 0.002 1
1 1257 . 9 1 1 A 97 97 LYS CA C 94 55.282 55.674 -0.392 1
1 1258 . 9 1 1 A 97 97 LYS HA H 94 4.274 4.364 -0.090 1
1 1259 . 9 1 1 A 97 97 LYS CB C 94 32.112 33.748 -1.636 1
1 1271 . 9 1 1 A 97 97 LYS C C 94 174.901 175.853 -0.952 1
1 1272 . 9 1 1 A 98 98 ASN N N 95 116.979 116.862 0.117 1
1 1273 . 9 1 1 A 98 98 ASN H H 95 8.150 7.992 0.158 1
1 1274 . 9 1 1 A 98 98 ASN CA C 95 53.822 53.899 -0.077 1
1 1275 . 9 1 1 A 98 98 ASN HA H 95 4.370 4.307 0.063 1
1 1276 . 9 1 1 A 98 98 ASN CB C 95 36.674 37.116 -0.442 1
1 1282 . 9 1 1 A 98 98 ASN C C 95 173.779 174.013 -0.234 1
1 1283 . 9 1 1 A 99 99 GLU N N 96 118.529 119.538 -1.009 1
1 1284 . 9 1 1 A 99 99 GLU H H 96 8.236 7.753 0.483 1
1 1285 . 9 1 1 A 99 99 GLU CA C 96 52.891 53.216 -0.325 1
1 1286 . 9 1 1 A 99 99 GLU HA H 96 4.673 4.828 -0.155 1
1 1287 . 9 1 1 A 99 99 GLU CB C 96 30.358 31.745 -1.387 1
1 1292 . 9 1 1 A 100 100 PRO CA C 97 62.037 62.787 -0.750 1
1 1293 . 9 1 1 A 100 100 PRO HA H 97 4.272 4.761 -0.489 1
1 1294 . 9 1 1 A 100 100 PRO CB C 97 31.609 31.626 -0.017 1
1 1302 . 9 1 1 A 100 100 PRO C C 97 176.184 176.911 -0.727 1
1 1303 . 9 1 1 A 101 101 LEU N N 98 122.794 124.210 -1.416 1
1 1304 . 9 1 1 A 101 101 LEU H H 98 8.832 8.357 0.475 1
1 1305 . 9 1 1 A 101 101 LEU CA C 98 52.524 53.405 -0.881 1
1 1306 . 9 1 1 A 101 101 LEU HA H 98 4.654 4.514 0.140 1
1 1307 . 9 1 1 A 101 101 LEU CB C 98 40.422 42.011 -1.589 1
1 1321 . 9 1 1 A 102 102 PRO CA C 99 61.075 62.242 -1.167 1
1 1322 . 9 1 1 A 102 102 PRO HA H 99 4.629 4.634 -0.005 1
1 1323 . 9 1 1 A 102 102 PRO CB C 99 31.778 33.164 -1.386 1
1 1328 . 9 1 1 A 102 102 PRO C C 99 174.604 176.219 -1.615 1
1 1329 . 9 1 1 A 103 103 VAL N N 100 120.834 120.989 -0.155 1
1 1330 . 9 1 1 A 103 103 VAL H H 100 8.661 8.579 0.082 1
1 1331 . 9 1 1 A 103 103 VAL CA C 100 62.977 62.638 0.339 1
1 1332 . 9 1 1 A 103 103 VAL HA H 100 3.860 4.205 -0.345 1
1 1333 . 9 1 1 A 103 103 VAL CB C 100 31.731 31.901 -0.170 1
1 1342 . 9 1 1 A 103 103 VAL C C 100 177.396 176.527 0.869 1
1 1343 . 9 1 1 A 104 104 TYR N N 101 129.973 126.690 3.283 1
1 1344 . 9 1 1 A 104 104 TYR H H 101 8.487 9.263 -0.776 1
1 1345 . 9 1 1 A 104 104 TYR CA C 101 62.855 61.944 0.911 1
1 1346 . 9 1 1 A 104 104 TYR HA H 101 3.802 4.135 -0.333 1
1 1347 . 9 1 1 A 104 104 TYR CB C 101 38.429 39.006 -0.577 1
1 1356 . 9 1 1 A 104 104 TYR C C 101 175.877 177.623 -1.746 1
1 1357 . 9 1 1 A 105 105 LYS N N 102 117.165 119.112 -1.947 1
1 1358 . 9 1 1 A 105 105 LYS H H 102 8.848 8.174 0.674 1
1 1359 . 9 1 1 A 105 105 LYS CA C 102 59.343 59.495 -0.152 1
1 1360 . 9 1 1 A 105 105 LYS HA H 102 3.810 4.006 -0.196 1
1 1361 . 9 1 1 A 105 105 LYS CB C 102 31.739 32.199 -0.460 1
1 1373 . 9 1 1 A 105 105 LYS C C 102 177.370 178.163 -0.793 1
1 1374 . 9 1 1 A 106 106 ASP N N 103 117.011 120.342 -3.331 1
1 1375 . 9 1 1 A 106 106 ASP H H 103 6.781 8.218 -1.437 1
1 1376 . 9 1 1 A 106 106 ASP CA C 103 56.155 57.768 -1.613 1
1 1377 . 9 1 1 A 106 106 ASP HA H 103 4.454 4.294 0.160 1
1 1378 . 9 1 1 A 106 106 ASP CB C 103 39.467 41.587 -2.120 1
1 1381 . 9 1 1 A 106 106 ASP C C 103 178.180 178.113 0.067 1
1 1382 . 9 1 1 A 107 107 LEU N N 104 124.145 119.875 4.270 1
1 1383 . 9 1 1 A 107 107 LEU H H 104 7.687 8.438 -0.751 1
1 1384 . 9 1 1 A 107 107 LEU CA C 104 56.938 58.227 -1.289 1
1 1385 . 9 1 1 A 107 107 LEU HA H 104 4.000 3.976 0.024 1
1 1386 . 9 1 1 A 107 107 LEU CB C 104 41.707 41.881 -0.174 1
1 1399 . 9 1 1 A 107 107 LEU C C 104 176.403 178.913 -2.510 1
1 1400 . 9 1 1 A 108 108 TRP N N 105 120.039 120.746 -0.707 1
1 1401 . 9 1 1 A 108 108 TRP H H 105 9.072 8.332 0.740 1
1 1402 . 9 1 1 A 108 108 TRP CA C 105 62.392 60.834 1.558 1
1 1403 . 9 1 1 A 108 108 TRP HA H 105 3.547 4.073 -0.526 1
1 1404 . 9 1 1 A 108 108 TRP CB C 105 28.316 29.233 -0.917 1
1 1415 . 9 1 1 A 108 108 TRP C C 105 176.983 177.863 -0.880 1
1 1416 . 9 1 1 A 109 109 ASN N N 106 113.557 116.341 -2.784 1
1 1417 . 9 1 1 A 109 109 ASN H H 106 8.058 8.554 -0.496 1
1 1418 . 9 1 1 A 109 109 ASN CA C 106 55.662 55.977 -0.315 1
1 1419 . 9 1 1 A 109 109 ASN HA H 106 3.994 3.810 0.184 1
1 1420 . 9 1 1 A 109 109 ASN CB C 106 37.973 37.463 0.510 1
1 1426 . 9 1 1 A 109 109 ASN C C 106 176.928 177.425 -0.497 1
1 1427 . 9 1 1 A 110 110 ALA N N 107 121.997 122.438 -0.441 1
1 1428 . 9 1 1 A 110 110 ALA H H 107 7.718 7.742 -0.024 1
1 1429 . 9 1 1 A 110 110 ALA CA C 107 54.261 55.014 -0.753 1
1 1430 . 9 1 1 A 110 110 ALA HA H 107 3.979 4.013 -0.034 1
1 1434 . 9 1 1 A 110 110 ALA CB C 107 17.322 18.376 -1.054 1
1 1435 . 9 1 1 A 110 110 ALA C C 107 180.452 180.053 0.399 1
1 1436 . 9 1 1 A 111 111 LEU N N 108 119.150 117.819 1.331 1
1 1437 . 9 1 1 A 111 111 LEU H H 108 8.200 8.317 -0.117 1
1 1438 . 9 1 1 A 111 111 LEU CA C 108 56.264 57.500 -1.236 1
1 1439 . 9 1 1 A 111 111 LEU HA H 108 3.857 3.965 -0.108 1
1 1440 . 9 1 1 A 111 111 LEU CB C 108 41.134 41.094 0.040 1
1 1453 . 9 1 1 A 111 111 LEU C C 108 178.144 179.321 -1.177 1
1 1454 . 9 1 1 A 112 112 ARG N N 109 117.178 119.926 -2.748 1
1 1455 . 9 1 1 A 112 112 ARG H H 109 7.365 8.039 -0.674 1
1 1456 . 9 1 1 A 112 112 ARG CA C 109 56.443 59.676 -3.233 1
1 1457 . 9 1 1 A 112 112 ARG HA H 109 2.642 3.929 -1.287 1
1 1458 . 9 1 1 A 112 112 ARG CB C 109 28.901 29.548 -0.647 1
1 1469 . 9 1 1 A 112 112 ARG C C 109 176.348 178.822 -2.474 1
1 1470 . 9 1 1 A 113 113 LYS N N 110 118.628 118.847 -0.219 1
1 1471 . 9 1 1 A 113 113 LYS H H 110 7.145 7.631 -0.486 1
1 1472 . 9 1 1 A 113 113 LYS CA C 110 56.410 58.208 -1.798 1
1 1473 . 9 1 1 A 113 113 LYS HA H 110 4.018 4.026 -0.008 1
1 1474 . 9 1 1 A 113 113 LYS CB C 110 32.091 32.992 -0.901 1
1 1486 . 9 1 1 A 113 113 LYS C C 110 176.164 176.731 -0.567 1
1 5 . 10 1 1 A 2 2 SER N N -2 115.414 119.970 -4.556 1
1 6 . 10 1 1 A 2 2 SER H H -2 8.737 9.013 -0.276 1
1 7 . 10 1 1 A 2 2 SER CA C -2 57.710 58.940 -1.230 1
1 8 . 10 1 1 A 2 2 SER HA H -2 4.446 4.724 -0.278 1
1 9 . 10 1 1 A 2 2 SER CB C -2 63.365 66.181 -2.816 1
1 12 . 10 1 1 A 2 2 SER C C -2 173.826 173.936 -0.110 1
1 40 . 10 1 1 A 5 5 ILE N N 2 122.114 119.929 2.185 1
1 41 . 10 1 1 A 5 5 ILE H H 2 8.292 7.526 0.766 1
1 42 . 10 1 1 A 5 5 ILE CA C 2 60.568 59.627 0.941 1
1 43 . 10 1 1 A 5 5 ILE HA H 2 4.102 4.898 -0.796 1
1 44 . 10 1 1 A 5 5 ILE CB C 2 38.417 42.033 -3.616 1
1 57 . 10 1 1 A 5 5 ILE C C 2 174.970 174.315 0.655 1
1 58 . 10 1 1 A 6 6 ASN N N 3 122.794 120.841 1.953 1
1 59 . 10 1 1 A 6 6 ASN H H 3 8.636 8.792 -0.156 1
1 60 . 10 1 1 A 6 6 ASN CA C 3 52.274 53.268 -0.994 1
1 61 . 10 1 1 A 6 6 ASN HA H 3 4.712 5.219 -0.507 1
1 62 . 10 1 1 A 6 6 ASN CB C 3 38.194 42.480 -4.286 1
1 68 . 10 1 1 A 6 6 ASN C C 3 174.766 175.236 -0.470 1
1 69 . 10 1 1 A 7 7 LEU N N 4 123.220 124.543 -1.323 1
1 70 . 10 1 1 A 7 7 LEU H H 4 8.484 8.844 -0.360 1
1 71 . 10 1 1 A 7 7 LEU CA C 4 55.359 58.309 -2.950 1
1 72 . 10 1 1 A 7 7 LEU HA H 4 4.197 4.087 0.110 1
1 73 . 10 1 1 A 7 7 LEU CB C 4 41.461 41.651 -0.190 1
1 86 . 10 1 1 A 7 7 LEU C C 4 177.248 178.895 -1.647 1
1 87 . 10 1 1 A 8 8 GLU N N 5 119.354 118.521 0.833 1
1 88 . 10 1 1 A 8 8 GLU H H 5 8.455 7.651 0.804 1
1 89 . 10 1 1 A 8 8 GLU CA C 5 56.589 58.388 -1.799 1
1 90 . 10 1 1 A 8 8 GLU HA H 5 4.091 4.300 -0.209 1
1 91 . 10 1 1 A 8 8 GLU CB C 5 29.275 29.479 -0.204 1
1 97 . 10 1 1 A 8 8 GLU C C 5 175.981 177.427 -1.446 1
1 98 . 10 1 1 A 9 9 ASP N N 6 119.780 118.297 1.483 1
1 99 . 10 1 1 A 9 9 ASP H H 6 8.136 7.994 0.142 1
1 100 . 10 1 1 A 9 9 ASP CA C 6 53.931 54.191 -0.260 1
1 101 . 10 1 1 A 9 9 ASP HA H 6 4.492 4.902 -0.410 1
1 102 . 10 1 1 A 9 9 ASP CB C 6 40.360 41.763 -1.403 1
1 105 . 10 1 1 A 9 9 ASP C C 6 175.397 175.221 0.176 1
1 106 . 10 1 1 A 10 10 TYR N N 7 119.939 120.096 -0.157 1
1 107 . 10 1 1 A 10 10 TYR H H 7 7.902 7.335 0.567 1
1 108 . 10 1 1 A 10 10 TYR CA C 7 57.667 57.445 0.222 1
1 109 . 10 1 1 A 10 10 TYR HA H 7 4.431 4.736 -0.305 1
1 110 . 10 1 1 A 10 10 TYR CB C 7 38.236 39.522 -1.286 1
1 119 . 10 1 1 A 10 10 TYR C C 7 174.898 175.886 -0.988 1
1 120 . 10 1 1 A 11 11 TRP N N 8 122.648 122.781 -0.133 1
1 121 . 10 1 1 A 11 11 TRP H H 8 7.917 8.057 -0.140 1
1 122 . 10 1 1 A 11 11 TRP CA C 8 56.562 58.904 -2.342 1
1 123 . 10 1 1 A 11 11 TRP HA H 8 4.578 4.585 -0.007 1
1 124 . 10 1 1 A 11 11 TRP CB C 8 29.293 30.102 -0.809 1
1 139 . 10 1 1 A 11 11 TRP C C 8 175.212 176.121 -0.909 1
1 140 . 10 1 1 A 12 12 GLU N N 9 122.189 119.324 2.865 1
1 141 . 10 1 1 A 12 12 GLU H H 9 8.030 8.087 -0.057 1
1 142 . 10 1 1 A 12 12 GLU CA C 9 55.743 55.502 0.241 1
1 143 . 10 1 1 A 12 12 GLU HA H 9 4.137 4.815 -0.678 1
1 144 . 10 1 1 A 12 12 GLU CB C 9 30.001 29.383 0.618 1
1 150 . 10 1 1 A 12 12 GLU C C 9 175.138 175.423 -0.285 1
1 151 . 10 1 1 A 13 13 ASP N N 10 121.099 125.423 -4.324 1
1 152 . 10 1 1 A 13 13 ASP H H 10 8.253 9.050 -0.797 1
1 153 . 10 1 1 A 13 13 ASP CA C 10 53.843 53.943 -0.100 1
1 154 . 10 1 1 A 13 13 ASP HA H 10 4.500 5.046 -0.546 1
1 155 . 10 1 1 A 13 13 ASP CB C 10 40.715 41.980 -1.265 1
1 158 . 10 1 1 A 13 13 ASP C C 10 175.700 175.467 0.233 1
1 159 . 10 1 1 A 14 14 GLU N N 11 121.240 120.681 0.559 1
1 160 . 10 1 1 A 14 14 GLU H H 11 8.435 7.814 0.621 1
1 161 . 10 1 1 A 14 14 GLU CA C 11 55.858 55.853 0.005 1
1 162 . 10 1 1 A 14 14 GLU HA H 11 4.289 4.495 -0.206 1
1 163 . 10 1 1 A 14 14 GLU CB C 11 29.758 30.367 -0.609 1
1 169 . 10 1 1 A 14 14 GLU C C 11 176.002 175.083 0.919 1
1 170 . 10 1 1 A 15 15 THR N N 12 118.367 116.773 1.594 1
1 171 . 10 1 1 A 15 15 THR H H 12 8.407 7.744 0.663 1
1 172 . 10 1 1 A 15 15 THR CA C 12 59.646 57.630 2.016 1
1 173 . 10 1 1 A 15 15 THR HA H 12 4.503 4.923 -0.420 1
1 174 . 10 1 1 A 15 15 THR CB C 12 69.084 71.174 -2.090 1
1 181 . 10 1 1 A 16 16 PRO CA C 13 62.791 62.391 0.400 1
1 182 . 10 1 1 A 16 16 PRO HA H 13 4.408 4.545 -0.137 1
1 183 . 10 1 1 A 16 16 PRO CB C 13 31.771 33.109 -1.338 1
1 191 . 10 1 1 A 16 16 PRO C C 13 176.689 175.797 0.892 1
1 192 . 10 1 1 A 17 17 GLY N N 14 109.540 106.726 2.814 1
1 193 . 10 1 1 A 17 17 GLY H H 14 8.423 8.257 0.166 1
1 194 . 10 1 1 A 17 17 GLY CA C 14 44.219 44.816 -0.597 1
1 195 . 10 1 1 A 17 17 GLY HA2 H 14 4.010 4.341 -0.331 1
1 196 . 10 1 1 A 17 17 GLY HA3 H 14 4.159 4.345 -0.186 1
1 198 . 10 1 1 A 18 18 PRO CA C 15 62.843 62.535 0.308 1
1 199 . 10 1 1 A 18 18 PRO HA H 15 4.412 4.642 -0.230 1
1 200 . 10 1 1 A 18 18 PRO CB C 15 31.667 33.438 -1.771 1
1 208 . 10 1 1 A 18 18 PRO C C 15 176.447 175.933 0.514 1
1 209 . 10 1 1 A 19 19 ASP N N 16 119.197 120.551 -1.354 1
1 210 . 10 1 1 A 19 19 ASP H H 16 8.517 8.848 -0.331 1
1 211 . 10 1 1 A 19 19 ASP CA C 16 53.940 53.875 0.065 1
1 212 . 10 1 1 A 19 19 ASP HA H 16 4.559 5.228 -0.669 1
1 213 . 10 1 1 A 19 19 ASP CB C 16 40.180 41.751 -1.571 1
1 216 . 10 1 1 A 19 19 ASP C C 16 175.764 175.763 0.001 1
1 217 . 10 1 1 A 20 20 ARG N N 17 120.435 118.878 1.557 1
1 218 . 10 1 1 A 20 20 ARG H H 17 8.201 7.810 0.391 1
1 219 . 10 1 1 A 20 20 ARG CA C 17 55.216 57.492 -2.276 1
1 220 . 10 1 1 A 20 20 ARG HA H 17 4.356 4.577 -0.221 1
1 221 . 10 1 1 A 20 20 ARG CB C 17 30.184 31.788 -1.604 1
1 237 . 10 1 1 A 20 20 ARG C C 17 175.724 175.428 0.296 1
1 238 . 10 1 1 A 21 21 GLU N N 18 122.477 121.063 1.414 1
1 239 . 10 1 1 A 21 21 GLU H H 18 8.371 8.223 0.148 1
1 240 . 10 1 1 A 21 21 GLU CA C 18 53.658 54.791 -1.133 1
1 241 . 10 1 1 A 21 21 GLU HA H 18 4.657 4.498 0.159 1
1 242 . 10 1 1 A 21 21 GLU CB C 18 28.984 29.590 -0.606 1
1 249 . 10 1 1 A 22 22 PRO CA C 19 62.442 62.840 -0.398 1
1 250 . 10 1 1 A 22 22 PRO HA H 19 4.516 4.721 -0.205 1
1 251 . 10 1 1 A 22 22 PRO CB C 19 31.903 32.203 -0.300 1
1 259 . 10 1 1 A 22 22 PRO C C 19 176.323 176.547 -0.224 1
1 260 . 10 1 1 A 23 23 THR N N 20 112.531 112.371 0.160 1
1 261 . 10 1 1 A 23 23 THR H H 20 7.946 8.228 -0.282 1
1 262 . 10 1 1 A 23 23 THR CA C 20 60.521 59.635 0.886 1
1 263 . 10 1 1 A 23 23 THR HA H 20 4.373 4.872 -0.499 1
1 264 . 10 1 1 A 23 23 THR CB C 20 70.238 71.805 -1.567 1
1 270 . 10 1 1 A 23 23 THR C C 20 174.678 175.464 -0.786 1
1 271 . 10 1 1 A 24 24 ASN N N 21 120.631 121.377 -0.746 1
1 272 . 10 1 1 A 24 24 ASN H H 21 8.958 9.177 -0.219 1
1 273 . 10 1 1 A 24 24 ASN CA C 21 54.854 57.185 -2.331 1
1 274 . 10 1 1 A 24 24 ASN HA H 21 4.467 4.364 0.103 1
1 275 . 10 1 1 A 24 24 ASN CB C 21 37.535 38.065 -0.530 1
1 281 . 10 1 1 A 24 24 ASN C C 21 176.397 177.160 -0.763 1
1 282 . 10 1 1 A 25 25 GLU N N 22 120.237 119.191 1.046 1
1 283 . 10 1 1 A 25 25 GLU H H 22 8.644 8.127 0.517 1
1 284 . 10 1 1 A 25 25 GLU CA C 22 59.195 59.483 -0.288 1
1 285 . 10 1 1 A 25 25 GLU HA H 22 4.076 4.308 -0.232 1
1 286 . 10 1 1 A 25 25 GLU CB C 22 28.567 29.449 -0.882 1
1 292 . 10 1 1 A 25 25 GLU C C 22 177.942 178.804 -0.862 1
1 293 . 10 1 1 A 26 26 LEU N N 23 122.376 121.214 1.162 1
1 294 . 10 1 1 A 26 26 LEU H H 23 8.109 8.052 0.057 1
1 295 . 10 1 1 A 26 26 LEU CA C 23 56.940 57.564 -0.624 1
1 296 . 10 1 1 A 26 26 LEU HA H 23 4.247 4.110 0.137 1
1 297 . 10 1 1 A 26 26 LEU CB C 23 40.425 41.639 -1.214 1
1 310 . 10 1 1 A 26 26 LEU C C 23 178.298 178.839 -0.541 1
1 311 . 10 1 1 A 27 27 ARG N N 24 118.606 120.108 -1.502 1
1 312 . 10 1 1 A 27 27 ARG H H 24 8.225 8.213 0.012 1
1 313 . 10 1 1 A 27 27 ARG CA C 24 59.892 59.406 0.486 1
1 314 . 10 1 1 A 27 27 ARG HA H 24 3.875 4.049 -0.174 1
1 315 . 10 1 1 A 27 27 ARG CB C 24 28.853 30.070 -1.217 1
1 331 . 10 1 1 A 27 27 ARG C C 24 178.374 179.115 -0.741 1
1 332 . 10 1 1 A 28 28 ASN N N 25 117.812 117.195 0.617 1
1 333 . 10 1 1 A 28 28 ASN H H 25 8.146 8.832 -0.686 1
1 334 . 10 1 1 A 28 28 ASN CA C 25 55.753 55.824 -0.071 1
1 335 . 10 1 1 A 28 28 ASN HA H 25 4.452 4.397 0.055 1
1 336 . 10 1 1 A 28 28 ASN CB C 25 37.388 37.204 0.184 1
1 342 . 10 1 1 A 28 28 ASN C C 25 177.043 177.362 -0.319 1
1 343 . 10 1 1 A 29 29 GLU N N 26 121.177 120.994 0.183 1
1 344 . 10 1 1 A 29 29 GLU H H 26 8.247 7.960 0.287 1
1 345 . 10 1 1 A 29 29 GLU CA C 26 58.897 59.185 -0.288 1
1 346 . 10 1 1 A 29 29 GLU HA H 26 4.075 4.053 0.022 1
1 347 . 10 1 1 A 29 29 GLU CB C 26 29.202 30.138 -0.936 1
1 353 . 10 1 1 A 29 29 GLU C C 26 180.215 179.597 0.618 1
1 354 . 10 1 1 A 30 30 VAL N N 27 123.509 121.141 2.368 1
1 355 . 10 1 1 A 30 30 VAL H H 27 8.793 8.012 0.781 1
1 356 . 10 1 1 A 30 30 VAL CA C 27 68.051 66.747 1.304 1
1 357 . 10 1 1 A 30 30 VAL HA H 27 3.413 3.586 -0.173 1
1 358 . 10 1 1 A 30 30 VAL CB C 27 31.196 31.570 -0.374 1
1 368 . 10 1 1 A 30 30 VAL C C 27 176.589 178.137 -1.548 1
1 369 . 10 1 1 A 31 31 GLU N N 28 119.159 119.197 -0.038 1
1 370 . 10 1 1 A 31 31 GLU H H 28 8.042 8.174 -0.132 1
1 371 . 10 1 1 A 31 31 GLU CA C 28 59.379 59.670 -0.291 1
1 372 . 10 1 1 A 31 31 GLU HA H 28 3.946 4.034 -0.088 1
1 373 . 10 1 1 A 31 31 GLU CB C 28 28.603 29.309 -0.706 1
1 379 . 10 1 1 A 31 31 GLU C C 28 179.282 179.317 -0.035 1
1 380 . 10 1 1 A 32 32 GLU N N 29 118.871 118.715 0.156 1
1 381 . 10 1 1 A 32 32 GLU H H 29 8.550 8.208 0.342 1
1 382 . 10 1 1 A 32 32 GLU CA C 29 58.770 59.194 -0.424 1
1 383 . 10 1 1 A 32 32 GLU HA H 29 4.056 4.107 -0.051 1
1 384 . 10 1 1 A 32 32 GLU CB C 29 29.214 28.985 0.229 1
1 390 . 10 1 1 A 32 32 GLU C C 29 178.791 179.068 -0.277 1
1 391 . 10 1 1 A 33 33 THR N N 30 117.719 116.447 1.272 1
1 392 . 10 1 1 A 33 33 THR H H 30 8.205 8.136 0.069 1
1 393 . 10 1 1 A 33 33 THR CA C 30 67.465 67.087 0.378 1
1 394 . 10 1 1 A 33 33 THR HA H 30 3.816 4.088 -0.272 1
1 395 . 10 1 1 A 33 33 THR CB C 30 66.888 68.042 -1.154 1
1 401 . 10 1 1 A 33 33 THR C C 30 175.681 176.953 -1.272 1
1 402 . 10 1 1 A 34 34 ILE N N 31 123.925 121.587 2.338 1
1 403 . 10 1 1 A 34 34 ILE H H 31 8.698 8.124 0.574 1
1 404 . 10 1 1 A 34 34 ILE CA C 31 66.438 64.651 1.787 1
1 405 . 10 1 1 A 34 34 ILE HA H 31 3.442 3.737 -0.295 1
1 406 . 10 1 1 A 34 34 ILE CB C 31 37.311 37.478 -0.167 1
1 416 . 10 1 1 A 34 34 ILE C C 31 176.731 178.218 -1.487 1
1 417 . 10 1 1 A 35 35 THR N N 32 116.478 118.392 -1.914 1
1 418 . 10 1 1 A 35 35 THR H H 32 7.956 8.110 -0.154 1
1 419 . 10 1 1 A 35 35 THR CA C 32 66.447 67.252 -0.805 1
1 420 . 10 1 1 A 35 35 THR HA H 32 3.929 3.920 0.009 1
1 421 . 10 1 1 A 35 35 THR CB C 32 67.964 68.012 -0.048 1
1 427 . 10 1 1 A 35 35 THR C C 32 176.226 176.879 -0.653 1
1 428 . 10 1 1 A 36 36 LEU N N 33 119.834 120.491 -0.657 1
1 429 . 10 1 1 A 36 36 LEU H H 33 7.663 8.227 -0.564 1
1 430 . 10 1 1 A 36 36 LEU CA C 33 57.274 57.932 -0.658 1
1 431 . 10 1 1 A 36 36 LEU HA H 33 4.075 4.055 0.020 1
1 432 . 10 1 1 A 36 36 LEU CB C 33 42.188 41.185 1.003 1
1 445 . 10 1 1 A 36 36 LEU C C 33 179.412 180.024 -0.612 1
1 446 . 10 1 1 A 37 37 MET N N 34 119.993 117.916 2.077 1
1 447 . 10 1 1 A 37 37 MET H H 34 8.509 8.566 -0.057 1
1 448 . 10 1 1 A 37 37 MET CA C 34 57.865 57.940 -0.075 1
1 449 . 10 1 1 A 37 37 MET HA H 34 3.865 4.192 -0.327 1
1 450 . 10 1 1 A 37 37 MET CB C 34 28.735 32.268 -3.533 1
1 460 . 10 1 1 A 37 37 MET C C 34 178.772 178.409 0.363 1
1 461 . 10 1 1 A 38 38 GLU N N 35 120.011 120.056 -0.045 1
1 462 . 10 1 1 A 38 38 GLU H H 35 8.321 8.245 0.076 1
1 463 . 10 1 1 A 38 38 GLU CA C 35 58.442 59.190 -0.748 1
1 464 . 10 1 1 A 38 38 GLU HA H 35 3.928 4.125 -0.197 1
1 465 . 10 1 1 A 38 38 GLU CB C 35 28.943 29.306 -0.363 1
1 471 . 10 1 1 A 38 38 GLU C C 35 176.040 178.031 -1.991 1
1 472 . 10 1 1 A 39 39 LEU N N 36 118.349 117.457 0.892 1
1 473 . 10 1 1 A 39 39 LEU H H 36 7.441 7.256 0.185 1
1 474 . 10 1 1 A 39 39 LEU CA C 36 54.614 54.129 0.485 1
1 475 . 10 1 1 A 39 39 LEU HA H 36 4.393 4.509 -0.116 1
1 476 . 10 1 1 A 39 39 LEU CB C 36 42.210 41.188 1.022 1
1 489 . 10 1 1 A 39 39 LEU C C 36 178.113 176.755 1.358 1
1 490 . 10 1 1 A 40 40 LEU N N 37 118.362 122.032 -3.670 1
1 491 . 10 1 1 A 40 40 LEU H H 37 7.464 7.485 -0.021 1
1 492 . 10 1 1 A 40 40 LEU CA C 37 54.659 55.967 -1.308 1
1 493 . 10 1 1 A 40 40 LEU HA H 37 4.400 4.133 0.267 1
1 494 . 10 1 1 A 40 40 LEU CB C 37 40.993 42.495 -1.502 1
1 507 . 10 1 1 A 40 40 LEU C C 37 177.827 176.358 1.469 1
1 508 . 10 1 1 A 41 41 LYS N N 38 120.851 123.417 -2.566 1
1 509 . 10 1 1 A 41 41 LYS H H 38 9.254 8.123 1.131 1
1 510 . 10 1 1 A 41 41 LYS CA C 38 54.727 54.690 0.037 1
1 511 . 10 1 1 A 41 41 LYS HA H 38 4.572 4.662 -0.090 1
1 512 . 10 1 1 A 41 41 LYS CB C 38 33.768 33.823 -0.055 1
1 524 . 10 1 1 A 41 41 LYS C C 38 177.911 178.134 -0.223 1
1 525 . 10 1 1 A 42 42 VAL N N 39 122.215 118.438 3.777 1
1 526 . 10 1 1 A 42 42 VAL H H 39 9.039 8.733 0.306 1
1 527 . 10 1 1 A 42 42 VAL CA C 39 67.408 65.376 2.032 1
1 528 . 10 1 1 A 42 42 VAL HA H 39 3.699 3.701 -0.002 1
1 529 . 10 1 1 A 42 42 VAL CB C 39 31.056 31.614 -0.558 1
1 539 . 10 1 1 A 42 42 VAL C C 39 176.560 177.266 -0.706 1
1 540 . 10 1 1 A 43 43 SER N N 40 114.377 117.265 -2.888 1
1 541 . 10 1 1 A 43 43 SER H H 40 8.686 8.088 0.598 1
1 542 . 10 1 1 A 43 43 SER CA C 40 61.144 61.925 -0.781 1
1 543 . 10 1 1 A 43 43 SER HA H 40 3.933 4.031 -0.098 1
1 544 . 10 1 1 A 43 43 SER CB C 40 60.933 62.823 -1.890 1
1 547 . 10 1 1 A 43 43 SER C C 40 175.910 176.920 -1.010 1
1 548 . 10 1 1 A 44 44 GLU N N 41 122.833 122.004 0.829 1
1 549 . 10 1 1 A 44 44 GLU H H 41 6.661 7.743 -1.082 1
1 550 . 10 1 1 A 44 44 GLU CA C 41 57.315 59.376 -2.061 1
1 551 . 10 1 1 A 44 44 GLU HA H 41 4.363 4.048 0.315 1
1 552 . 10 1 1 A 44 44 GLU CB C 41 30.399 29.547 0.852 1
1 558 . 10 1 1 A 44 44 GLU C C 41 178.185 179.227 -1.042 1
1 559 . 10 1 1 A 45 45 LEU N N 42 119.110 120.632 -1.522 1
1 560 . 10 1 1 A 45 45 LEU H H 42 8.393 8.490 -0.097 1
1 561 . 10 1 1 A 45 45 LEU CA C 42 57.359 57.639 -0.280 1
1 562 . 10 1 1 A 45 45 LEU HA H 42 3.918 3.944 -0.026 1
1 563 . 10 1 1 A 45 45 LEU CB C 42 42.476 41.742 0.734 1
1 576 . 10 1 1 A 45 45 LEU C C 42 179.735 179.028 0.707 1
1 577 . 10 1 1 A 46 46 LYS N N 43 118.025 119.540 -1.515 1
1 578 . 10 1 1 A 46 46 LYS H H 43 8.596 8.386 0.210 1
1 579 . 10 1 1 A 46 46 LYS CA C 43 60.844 60.054 0.790 1
1 580 . 10 1 1 A 46 46 LYS HA H 43 3.816 3.860 -0.044 1
1 581 . 10 1 1 A 46 46 LYS CB C 43 31.918 32.233 -0.315 1
1 593 . 10 1 1 A 46 46 LYS C C 43 177.672 178.314 -0.642 1
1 594 . 10 1 1 A 47 47 ASP N N 44 119.267 119.437 -0.170 1
1 595 . 10 1 1 A 47 47 ASP H H 44 7.448 8.173 -0.725 1
1 596 . 10 1 1 A 47 47 ASP CA C 44 57.422 57.378 0.044 1
1 597 . 10 1 1 A 47 47 ASP HA H 44 4.555 4.357 0.198 1
1 598 . 10 1 1 A 47 47 ASP CB C 44 39.264 40.770 -1.506 1
1 601 . 10 1 1 A 47 47 ASP C C 44 179.284 179.050 0.234 1
1 602 . 10 1 1 A 48 48 ILE N N 45 120.817 118.906 1.911 1
1 603 . 10 1 1 A 48 48 ILE H H 45 7.871 7.992 -0.121 1
1 604 . 10 1 1 A 48 48 ILE CA C 45 64.604 65.369 -0.765 1
1 605 . 10 1 1 A 48 48 ILE HA H 45 3.653 3.541 0.112 1
1 606 . 10 1 1 A 48 48 ILE CB C 45 36.293 38.471 -2.178 1
1 619 . 10 1 1 A 48 48 ILE C C 45 177.180 177.479 -0.299 1
1 620 . 10 1 1 A 49 49 CYS N N 46 117.775 119.475 -1.700 1
1 621 . 10 1 1 A 49 49 CYS H H 46 8.543 8.398 0.145 1
1 622 . 10 1 1 A 49 49 CYS CA C 46 64.971 63.628 1.343 1
1 623 . 10 1 1 A 49 49 CYS HA H 46 3.852 3.938 -0.086 1
1 624 . 10 1 1 A 49 49 CYS CB C 46 25.872 26.918 -1.046 1
1 627 . 10 1 1 A 49 49 CYS C C 46 176.288 177.040 -0.752 1
1 628 . 10 1 1 A 50 50 ARG N N 47 118.702 122.217 -3.515 1
1 629 . 10 1 1 A 50 50 ARG H H 47 8.626 7.964 0.662 1
1 630 . 10 1 1 A 50 50 ARG CA C 47 58.983 59.155 -0.172 1
1 631 . 10 1 1 A 50 50 ARG HA H 47 4.058 4.078 -0.020 1
1 632 . 10 1 1 A 50 50 ARG CB C 47 29.512 30.240 -0.728 1
1 648 . 10 1 1 A 50 50 ARG C C 47 179.270 177.827 1.443 1
1 649 . 10 1 1 A 51 51 SER N N 48 114.502 114.138 0.364 1
1 650 . 10 1 1 A 51 51 SER H H 48 7.514 7.929 -0.415 1
1 651 . 10 1 1 A 51 51 SER CA C 48 61.745 61.805 -0.060 1
1 652 . 10 1 1 A 51 51 SER HA H 48 4.308 4.172 0.136 1
1 653 . 10 1 1 A 51 51 SER CB C 48 62.780 63.179 -0.399 1
1 656 . 10 1 1 A 51 51 SER C C 48 176.764 176.991 -0.227 1
1 657 . 10 1 1 A 52 52 VAL N N 49 113.832 120.414 -6.582 1
1 658 . 10 1 1 A 52 52 VAL H H 49 7.511 7.970 -0.459 1
1 659 . 10 1 1 A 52 52 VAL CA C 49 60.751 63.701 -2.950 1
1 660 . 10 1 1 A 52 52 VAL HA H 49 3.760 3.098 0.662 1
1 661 . 10 1 1 A 52 52 VAL CB C 49 30.719 31.371 -0.652 1
1 671 . 10 1 1 A 52 52 VAL C C 49 173.462 174.867 -1.405 1
1 672 . 10 1 1 A 53 53 SER N N 50 112.698 115.257 -2.559 1
1 673 . 10 1 1 A 53 53 SER H H 50 7.653 8.014 -0.361 1
1 674 . 10 1 1 A 53 53 SER CA C 50 59.025 59.555 -0.530 1
1 675 . 10 1 1 A 53 53 SER HA H 50 3.911 4.094 -0.183 1
1 676 . 10 1 1 A 53 53 SER CB C 50 60.895 61.095 -0.200 1
1 679 . 10 1 1 A 53 53 SER C C 50 174.065 173.626 0.439 1
1 680 . 10 1 1 A 54 54 PHE N N 51 120.132 120.372 -0.240 1
1 681 . 10 1 1 A 54 54 PHE H H 51 8.332 7.945 0.387 1
1 682 . 10 1 1 A 54 54 PHE CA C 51 51.743 56.345 -4.602 1
1 683 . 10 1 1 A 54 54 PHE HA H 51 5.171 4.553 0.618 1
1 684 . 10 1 1 A 54 54 PHE CB C 51 37.762 39.351 -1.589 1
1 696 . 10 1 1 A 55 55 PRO CA C 52 62.176 62.663 -0.487 1
1 697 . 10 1 1 A 55 55 PRO HA H 52 4.417 4.672 -0.255 1
1 698 . 10 1 1 A 55 55 PRO CB C 52 31.347 31.693 -0.346 1
1 706 . 10 1 1 A 55 55 PRO C C 52 176.296 177.047 -0.751 1
1 707 . 10 1 1 A 56 56 VAL N N 53 109.933 125.139 -15.206 1
1 708 . 10 1 1 A 56 56 VAL H H 53 7.986 8.887 -0.901 1
1 709 . 10 1 1 A 56 56 VAL CA C 53 59.863 62.225 -2.362 1
1 710 . 10 1 1 A 56 56 VAL HA H 53 4.404 4.399 0.005 1
1 711 . 10 1 1 A 56 56 VAL CB C 53 31.483 31.923 -0.440 1
1 721 . 10 1 1 A 56 56 VAL C C 53 175.074 176.372 -1.298 1
1 722 . 10 1 1 A 57 57 SER N N 54 114.614 116.815 -2.201 1
1 723 . 10 1 1 A 57 57 SER H H 54 7.304 8.234 -0.930 1
1 724 . 10 1 1 A 57 57 SER CA C 54 57.295 60.533 -3.238 1
1 725 . 10 1 1 A 57 57 SER HA H 54 4.363 4.315 0.048 1
1 726 . 10 1 1 A 57 57 SER CB C 54 63.351 62.921 0.430 1
1 729 . 10 1 1 A 57 57 SER C C 54 174.225 175.690 -1.465 1
1 730 . 10 1 1 A 58 58 GLY N N 55 110.300 111.249 -0.949 1
1 731 . 10 1 1 A 58 58 GLY H H 55 8.545 7.900 0.645 1
1 732 . 10 1 1 A 58 58 GLY CA C 55 43.806 44.325 -0.519 1
1 733 . 10 1 1 A 58 58 GLY HA2 H 55 4.009 4.024 -0.015 1
1 734 . 10 1 1 A 58 58 GLY HA3 H 55 3.715 4.031 -0.316 1
1 735 . 10 1 1 A 58 58 GLY C C 55 172.483 173.268 -0.785 1
1 736 . 10 1 1 A 59 59 ARG N N 56 116.392 120.149 -3.757 1
1 737 . 10 1 1 A 59 59 ARG H H 56 7.913 8.660 -0.747 1
1 738 . 10 1 1 A 59 59 ARG CA C 56 54.769 54.172 0.597 1
1 739 . 10 1 1 A 59 59 ARG HA H 56 4.371 4.951 -0.580 1
1 740 . 10 1 1 A 59 59 ARG CB C 56 30.447 32.322 -1.875 1
1 752 . 10 1 1 A 59 59 ARG C C 56 176.019 176.325 -0.306 1
1 753 . 10 1 1 A 60 60 LYS N N 57 122.009 117.814 4.195 1
1 754 . 10 1 1 A 60 60 LYS H H 57 8.811 8.898 -0.087 1
1 755 . 10 1 1 A 60 60 LYS CA C 57 61.236 59.061 2.175 1
1 756 . 10 1 1 A 60 60 LYS HA H 57 3.606 4.055 -0.449 1
1 757 . 10 1 1 A 60 60 LYS CB C 57 32.419 32.051 0.368 1
1 769 . 10 1 1 A 60 60 LYS C C 57 176.824 178.709 -1.885 1
1 770 . 10 1 1 A 61 61 ALA N N 58 116.880 121.864 -4.984 1
1 771 . 10 1 1 A 61 61 ALA H H 58 8.794 7.853 0.941 1
1 772 . 10 1 1 A 61 61 ALA CA C 58 54.617 55.097 -0.480 1
1 773 . 10 1 1 A 61 61 ALA HA H 58 4.129 4.353 -0.224 1
1 777 . 10 1 1 A 61 61 ALA CB C 58 18.103 18.368 -0.265 1
1 778 . 10 1 1 A 61 61 ALA C C 58 179.574 179.801 -0.227 1
1 779 . 10 1 1 A 62 62 VAL N N 59 117.408 118.510 -1.102 1
1 780 . 10 1 1 A 62 62 VAL H H 59 7.047 7.987 -0.940 1
1 781 . 10 1 1 A 62 62 VAL CA C 59 64.864 67.070 -2.206 1
1 782 . 10 1 1 A 62 62 VAL HA H 59 3.701 3.506 0.195 1
1 783 . 10 1 1 A 62 62 VAL CB C 59 31.301 31.380 -0.079 1
1 793 . 10 1 1 A 62 62 VAL C C 59 178.103 178.170 -0.067 1
1 794 . 10 1 1 A 63 63 LEU N N 60 119.573 119.832 -0.259 1
1 795 . 10 1 1 A 63 63 LEU H H 60 7.585 8.251 -0.666 1
1 796 . 10 1 1 A 63 63 LEU CA C 60 57.571 58.298 -0.727 1
1 797 . 10 1 1 A 63 63 LEU HA H 60 3.923 3.889 0.034 1
1 798 . 10 1 1 A 63 63 LEU CB C 60 41.711 41.723 -0.012 1
1 810 . 10 1 1 A 63 63 LEU C C 60 178.692 179.053 -0.361 1
1 811 . 10 1 1 A 64 64 GLN N N 61 114.206 117.354 -3.148 1
1 812 . 10 1 1 A 64 64 GLN H H 61 8.373 8.504 -0.131 1
1 813 . 10 1 1 A 64 64 GLN CA C 61 58.039 58.468 -0.429 1
1 814 . 10 1 1 A 64 64 GLN HA H 61 4.090 4.054 0.036 1
1 815 . 10 1 1 A 64 64 GLN CB C 61 28.670 28.567 0.103 1
1 821 . 10 1 1 A 64 64 GLN C C 61 178.207 177.423 0.784 1
1 822 . 10 1 1 A 65 65 ASP N N 62 118.671 120.446 -1.775 1
1 823 . 10 1 1 A 65 65 ASP H H 62 7.973 7.916 0.057 1
1 824 . 10 1 1 A 65 65 ASP CA C 62 56.961 57.380 -0.419 1
1 825 . 10 1 1 A 65 65 ASP HA H 62 4.353 4.449 -0.096 1
1 826 . 10 1 1 A 65 65 ASP CB C 62 39.856 40.521 -0.665 1
1 829 . 10 1 1 A 65 65 ASP C C 62 178.113 178.983 -0.870 1
1 830 . 10 1 1 A 66 66 LEU N N 63 119.708 120.806 -1.098 1
1 831 . 10 1 1 A 66 66 LEU H H 63 7.970 8.185 -0.215 1
1 832 . 10 1 1 A 66 66 LEU CA C 63 57.549 58.049 -0.500 1
1 833 . 10 1 1 A 66 66 LEU HA H 63 3.838 3.932 -0.094 1
1 834 . 10 1 1 A 66 66 LEU CB C 63 41.235 42.187 -0.952 1
1 847 . 10 1 1 A 66 66 LEU C C 63 180.041 179.148 0.893 1
1 848 . 10 1 1 A 67 67 ILE N N 64 118.309 119.377 -1.068 1
1 849 . 10 1 1 A 67 67 ILE H H 64 7.555 8.202 -0.647 1
1 850 . 10 1 1 A 67 67 ILE CA C 64 63.895 65.546 -1.651 1
1 851 . 10 1 1 A 67 67 ILE HA H 64 3.794 3.712 0.082 1
1 852 . 10 1 1 A 67 67 ILE CB C 64 37.181 37.712 -0.531 1
1 865 . 10 1 1 A 67 67 ILE C C 64 176.949 178.185 -1.236 1
1 866 . 10 1 1 A 68 68 ARG N N 65 122.359 120.366 1.993 1
1 867 . 10 1 1 A 68 68 ARG H H 65 9.489 8.283 1.206 1
1 868 . 10 1 1 A 68 68 ARG CA C 65 60.488 59.992 0.496 1
1 869 . 10 1 1 A 68 68 ARG HA H 65 3.692 3.919 -0.227 1
1 870 . 10 1 1 A 68 68 ARG CB C 65 29.897 30.101 -0.204 1
1 880 . 10 1 1 A 68 68 ARG C C 65 177.728 179.133 -1.405 1
1 881 . 10 1 1 A 69 69 ASN N N 66 116.248 116.085 0.163 1
1 882 . 10 1 1 A 69 69 ASN H H 66 8.546 8.415 0.131 1
1 883 . 10 1 1 A 69 69 ASN CA C 66 55.945 56.246 -0.301 1
1 884 . 10 1 1 A 69 69 ASN HA H 66 4.391 4.424 -0.033 1
1 885 . 10 1 1 A 69 69 ASN CB C 66 37.828 37.651 0.177 1
1 891 . 10 1 1 A 69 69 ASN C C 66 176.520 178.454 -1.934 1
1 892 . 10 1 1 A 70 70 PHE N N 67 121.134 119.028 2.106 1
1 893 . 10 1 1 A 70 70 PHE H H 67 7.693 8.027 -0.334 1
1 894 . 10 1 1 A 70 70 PHE CA C 67 60.170 60.666 -0.496 1
1 895 . 10 1 1 A 70 70 PHE HA H 67 4.535 4.283 0.252 1
1 896 . 10 1 1 A 70 70 PHE CB C 67 39.838 39.063 0.775 1
1 902 . 10 1 1 A 70 70 PHE C C 67 177.756 178.366 -0.610 1
1 903 . 10 1 1 A 71 71 LEU N N 68 117.959 119.270 -1.311 1
1 904 . 10 1 1 A 71 71 LEU H H 68 8.336 8.352 -0.016 1
1 905 . 10 1 1 A 71 71 LEU CA C 68 57.468 57.879 -0.411 1
1 906 . 10 1 1 A 71 71 LEU HA H 68 3.828 4.030 -0.202 1
1 907 . 10 1 1 A 71 71 LEU CB C 68 42.156 41.255 0.901 1
1 919 . 10 1 1 A 71 71 LEU C C 68 178.037 179.294 -1.257 1
1 920 . 10 1 1 A 72 72 GLN N N 69 117.479 118.821 -1.342 1
1 921 . 10 1 1 A 72 72 GLN H H 69 8.802 8.223 0.579 1
1 922 . 10 1 1 A 72 72 GLN CA C 69 58.632 59.167 -0.535 1
1 923 . 10 1 1 A 72 72 GLN HA H 69 3.906 4.037 -0.131 1
1 924 . 10 1 1 A 72 72 GLN CB C 69 27.010 28.094 -1.084 1
1 933 . 10 1 1 A 72 72 GLN C C 69 179.337 177.871 1.466 1
1 934 . 10 1 1 A 73 73 ASN N N 70 117.551 116.476 1.075 1
1 935 . 10 1 1 A 73 73 ASN H H 70 8.124 8.340 -0.216 1
1 936 . 10 1 1 A 73 73 ASN CA C 70 54.051 55.087 -1.036 1
1 937 . 10 1 1 A 73 73 ASN HA H 70 4.602 4.547 0.055 1
1 938 . 10 1 1 A 73 73 ASN CB C 70 37.810 38.359 -0.549 1
1 944 . 10 1 1 A 73 73 ASN C C 70 175.490 177.927 -2.437 1
1 945 . 10 1 1 A 74 74 ALA N N 71 120.962 120.718 0.244 1
1 946 . 10 1 1 A 74 74 ALA H H 71 7.787 7.689 0.098 1
1 947 . 10 1 1 A 74 74 ALA CA C 71 53.143 54.273 -1.130 1
1 948 . 10 1 1 A 74 74 ALA HA H 71 4.193 4.198 -0.005 1
1 952 . 10 1 1 A 74 74 ALA CB C 71 19.064 18.405 0.659 1
1 953 . 10 1 1 A 74 74 ALA C C 71 176.255 177.926 -1.671 1
1 954 . 10 1 1 A 75 75 LEU N N 72 112.822 111.418 1.404 1
1 955 . 10 1 1 A 75 75 LEU H H 72 7.381 7.575 -0.194 1
1 956 . 10 1 1 A 75 75 LEU CA C 72 52.987 53.501 -0.514 1
1 957 . 10 1 1 A 75 75 LEU HA H 72 4.305 4.632 -0.327 1
1 958 . 10 1 1 A 75 75 LEU CB C 72 41.490 41.808 -0.318 1
1 971 . 10 1 1 A 75 75 LEU C C 72 175.867 176.064 -0.197 1
1 972 . 10 1 1 A 76 76 VAL N N 73 120.671 120.515 0.156 1
1 973 . 10 1 1 A 76 76 VAL H H 73 6.797 7.929 -1.132 1
1 974 . 10 1 1 A 76 76 VAL CA C 73 62.994 60.936 2.058 1
1 975 . 10 1 1 A 76 76 VAL HA H 73 3.707 4.441 -0.734 1
1 976 . 10 1 1 A 76 76 VAL CB C 73 32.014 34.031 -2.017 1
1 986 . 10 1 1 A 76 76 VAL C C 73 176.144 175.968 0.176 1
1 987 . 10 1 1 A 77 77 VAL N N 74 128.303 125.568 2.735 1
1 988 . 10 1 1 A 77 77 VAL H H 74 8.407 8.600 -0.193 1
1 989 . 10 1 1 A 77 77 VAL CA C 74 64.673 64.875 -0.202 1
1 990 . 10 1 1 A 77 77 VAL HA H 74 3.651 3.669 -0.018 1
1 991 . 10 1 1 A 77 77 VAL CB C 74 30.789 31.051 -0.262 1
1 1001 . 10 1 1 A 77 77 VAL C C 74 176.911 177.278 -0.367 1
1 1002 . 10 1 1 A 78 78 GLY N N 75 116.087 115.640 0.447 1
1 1003 . 10 1 1 A 78 78 GLY H H 75 8.827 8.745 0.082 1
1 1004 . 10 1 1 A 78 78 GLY CA C 75 45.004 45.864 -0.860 1
1 1005 . 10 1 1 A 78 78 GLY HA2 H 75 4.236 4.011 0.225 1
1 1006 . 10 1 1 A 78 78 GLY HA3 H 75 3.738 4.012 -0.274 1
1 1007 . 10 1 1 A 78 78 GLY C C 75 173.779 173.586 0.193 1
1 1008 . 10 1 1 A 79 79 LYS N N 76 121.612 119.551 2.061 1
1 1009 . 10 1 1 A 79 79 LYS H H 76 8.140 7.402 0.738 1
1 1010 . 10 1 1 A 79 79 LYS CA C 76 54.078 57.684 -3.606 1
1 1011 . 10 1 1 A 79 79 LYS HA H 76 4.588 4.658 -0.070 1
1 1012 . 10 1 1 A 79 79 LYS CB C 76 32.708 34.666 -1.958 1
1 1024 . 10 1 1 A 79 79 LYS C C 76 175.177 176.080 -0.903 1
1 1025 . 10 1 1 A 80 80 SER N N 77 117.166 113.690 3.476 1
1 1026 . 10 1 1 A 80 80 SER H H 77 8.241 7.989 0.252 1
1 1027 . 10 1 1 A 80 80 SER CA C 77 59.173 60.353 -1.180 1
1 1028 . 10 1 1 A 80 80 SER HA H 77 4.356 4.560 -0.204 1
1 1029 . 10 1 1 A 80 80 SER CB C 77 63.288 62.468 0.820 1
1 1032 . 10 1 1 A 80 80 SER C C 77 174.793 172.558 2.235 1
1 1033 . 10 1 1 A 81 81 ASP N N 78 118.775 122.618 -3.843 1
1 1034 . 10 1 1 A 81 81 ASP H H 78 8.506 8.867 -0.361 1
1 1035 . 10 1 1 A 81 81 ASP CA C 78 50.069 51.453 -1.384 1
1 1036 . 10 1 1 A 81 81 ASP HA H 78 5.423 5.199 0.224 1
1 1037 . 10 1 1 A 81 81 ASP CB C 78 41.498 41.642 -0.144 1
1 1041 . 10 1 1 A 82 82 PRO CA C 79 63.656 64.571 -0.915 1
1 1042 . 10 1 1 A 82 82 PRO HA H 79 4.271 4.398 -0.127 1
1 1043 . 10 1 1 A 82 82 PRO CB C 79 31.303 31.965 -0.662 1
1 1051 . 10 1 1 A 82 82 PRO C C 79 178.645 177.174 1.471 1
1 1052 . 10 1 1 A 83 83 TYR N N 80 117.360 119.210 -1.850 1
1 1053 . 10 1 1 A 83 83 TYR H H 80 7.561 7.810 -0.249 1
1 1054 . 10 1 1 A 83 83 TYR CA C 80 59.635 61.776 -2.141 1
1 1055 . 10 1 1 A 83 83 TYR HA H 80 4.163 4.144 0.019 1
1 1056 . 10 1 1 A 83 83 TYR CB C 80 35.602 39.093 -3.491 1
1 1065 . 10 1 1 A 83 83 TYR C C 80 176.904 177.439 -0.535 1
1 1066 . 10 1 1 A 84 84 ARG N N 81 120.833 117.815 3.018 1
1 1067 . 10 1 1 A 84 84 ARG H H 81 7.898 8.048 -0.150 1
1 1068 . 10 1 1 A 84 84 ARG CA C 81 58.332 58.915 -0.583 1
1 1069 . 10 1 1 A 84 84 ARG HA H 81 4.615 3.512 1.103 1
1 1070 . 10 1 1 A 84 84 ARG CB C 81 28.242 29.696 -1.454 1
1 1071 . 10 1 1 A 84 84 ARG C C 81 176.940 178.878 -1.938 1
1 1072 . 10 1 1 A 85 85 VAL N N 82 117.345 120.202 -2.857 1
1 1073 . 10 1 1 A 85 85 VAL H H 82 6.971 7.735 -0.764 1
1 1074 . 10 1 1 A 85 85 VAL CA C 82 65.663 66.567 -0.904 1
1 1075 . 10 1 1 A 85 85 VAL HA H 82 3.417 3.488 -0.071 1
1 1076 . 10 1 1 A 85 85 VAL CB C 82 31.165 31.677 -0.512 1
1 1085 . 10 1 1 A 85 85 VAL C C 82 176.601 177.795 -1.194 1
1 1086 . 10 1 1 A 86 86 GLN N N 83 117.137 120.426 -3.289 1
1 1087 . 10 1 1 A 86 86 GLN H H 83 7.536 8.390 -0.854 1
1 1088 . 10 1 1 A 86 86 GLN CA C 83 58.230 58.316 -0.086 1
1 1089 . 10 1 1 A 86 86 GLN HA H 83 3.953 4.141 -0.188 1
1 1090 . 10 1 1 A 86 86 GLN CB C 83 28.240 28.949 -0.709 1
1 1099 . 10 1 1 A 86 86 GLN C C 83 178.602 178.119 0.483 1
1 1100 . 10 1 1 A 87 87 ALA N N 84 121.452 122.210 -0.758 1
1 1101 . 10 1 1 A 87 87 ALA H H 84 8.843 7.691 1.152 1
1 1102 . 10 1 1 A 87 87 ALA CA C 84 54.905 55.079 -0.174 1
1 1103 . 10 1 1 A 87 87 ALA HA H 84 4.048 4.084 -0.036 1
1 1107 . 10 1 1 A 87 87 ALA CB C 84 18.088 18.334 -0.246 1
1 1108 . 10 1 1 A 87 87 ALA C C 84 178.498 179.900 -1.402 1
1 1109 . 10 1 1 A 88 88 VAL N N 85 117.570 118.218 -0.648 1
1 1110 . 10 1 1 A 88 88 VAL H H 85 8.515 8.070 0.445 1
1 1111 . 10 1 1 A 88 88 VAL CA C 85 67.315 66.543 0.772 1
1 1112 . 10 1 1 A 88 88 VAL HA H 85 3.764 3.406 0.358 1
1 1113 . 10 1 1 A 88 88 VAL CB C 85 30.610 31.567 -0.957 1
1 1123 . 10 1 1 A 88 88 VAL C C 85 177.138 177.735 -0.597 1
1 1124 . 10 1 1 A 89 89 LYS N N 86 120.005 120.460 -0.455 1
1 1125 . 10 1 1 A 89 89 LYS H H 86 8.612 8.685 -0.073 1
1 1126 . 10 1 1 A 89 89 LYS CA C 86 60.851 59.571 1.280 1
1 1127 . 10 1 1 A 89 89 LYS HA H 86 3.827 3.967 -0.140 1
1 1128 . 10 1 1 A 89 89 LYS CB C 86 31.974 32.165 -0.191 1
1 1140 . 10 1 1 A 89 89 LYS C C 86 178.096 178.670 -0.574 1
1 1141 . 10 1 1 A 90 90 PHE N N 87 119.839 120.697 -0.858 1
1 1142 . 10 1 1 A 90 90 PHE H H 87 8.184 8.163 0.021 1
1 1143 . 10 1 1 A 90 90 PHE CA C 87 60.604 61.321 -0.717 1
1 1144 . 10 1 1 A 90 90 PHE HA H 87 4.302 4.152 0.150 1
1 1145 . 10 1 1 A 90 90 PHE CB C 87 38.349 39.196 -0.847 1
1 1154 . 10 1 1 A 90 90 PHE C C 87 177.748 177.711 0.037 1
1 1155 . 10 1 1 A 91 91 LEU N N 88 118.977 119.459 -0.482 1
1 1156 . 10 1 1 A 91 91 LEU H H 88 8.604 8.581 0.023 1
1 1157 . 10 1 1 A 91 91 LEU CA C 88 58.058 58.444 -0.386 1
1 1158 . 10 1 1 A 91 91 LEU HA H 88 3.975 3.844 0.131 1
1 1159 . 10 1 1 A 91 91 LEU CB C 88 41.114 41.982 -0.868 1
1 1169 . 10 1 1 A 91 91 LEU C C 88 178.106 179.099 -0.993 1
1 1170 . 10 1 1 A 92 92 ILE N N 89 118.378 118.809 -0.431 1
1 1171 . 10 1 1 A 92 92 ILE H H 89 8.420 8.657 -0.237 1
1 1172 . 10 1 1 A 92 92 ILE CA C 89 65.761 65.567 0.194 1
1 1173 . 10 1 1 A 92 92 ILE HA H 89 3.542 3.495 0.047 1
1 1174 . 10 1 1 A 92 92 ILE CB C 89 37.372 37.837 -0.465 1
1 1184 . 10 1 1 A 92 92 ILE C C 89 176.952 177.954 -1.002 1
1 1185 . 10 1 1 A 93 93 GLU N N 90 120.262 120.371 -0.109 1
1 1186 . 10 1 1 A 93 93 GLU H H 90 8.133 8.088 0.045 1
1 1187 . 10 1 1 A 93 93 GLU CA C 90 58.766 59.861 -1.095 1
1 1188 . 10 1 1 A 93 93 GLU HA H 90 4.038 3.838 0.200 1
1 1189 . 10 1 1 A 93 93 GLU CB C 90 28.466 28.854 -0.388 1
1 1195 . 10 1 1 A 93 93 GLU C C 90 178.689 178.524 0.165 1
1 1196 . 10 1 1 A 94 94 ARG N N 91 117.630 118.807 -1.177 1
1 1197 . 10 1 1 A 94 94 ARG H H 91 7.952 7.905 0.047 1
1 1198 . 10 1 1 A 94 94 ARG CA C 91 58.343 58.840 -0.497 1
1 1199 . 10 1 1 A 94 94 ARG HA H 91 3.941 3.989 -0.048 1
1 1200 . 10 1 1 A 94 94 ARG CB C 91 29.048 29.837 -0.789 1
1 1215 . 10 1 1 A 94 94 ARG C C 91 178.875 178.993 -0.118 1
1 1216 . 10 1 1 A 95 95 ILE N N 92 120.056 119.901 0.155 1
1 1217 . 10 1 1 A 95 95 ILE H H 92 8.225 8.207 0.018 1
1 1218 . 10 1 1 A 95 95 ILE CA C 92 63.296 65.354 -2.058 1
1 1219 . 10 1 1 A 95 95 ILE HA H 92 3.972 3.805 0.167 1
1 1220 . 10 1 1 A 95 95 ILE CB C 92 36.921 37.189 -0.268 1
1 1233 . 10 1 1 A 95 95 ILE C C 92 180.242 178.843 1.399 1
1 1234 . 10 1 1 A 96 96 ARG N N 93 121.023 120.256 0.767 1
1 1235 . 10 1 1 A 96 96 ARG H H 93 8.259 8.301 -0.042 1
1 1236 . 10 1 1 A 96 96 ARG CA C 93 58.401 58.691 -0.290 1
1 1237 . 10 1 1 A 96 96 ARG HA H 93 4.068 4.195 -0.127 1
1 1238 . 10 1 1 A 96 96 ARG CB C 93 29.474 30.234 -0.760 1
1 1254 . 10 1 1 A 96 96 ARG C C 93 177.500 177.076 0.424 1
1 1255 . 10 1 1 A 97 97 LYS N N 94 116.750 117.585 -0.835 1
1 1256 . 10 1 1 A 97 97 LYS H H 94 7.527 7.540 -0.013 1
1 1257 . 10 1 1 A 97 97 LYS CA C 94 55.282 55.655 -0.373 1
1 1258 . 10 1 1 A 97 97 LYS HA H 94 4.274 4.371 -0.097 1
1 1259 . 10 1 1 A 97 97 LYS CB C 94 32.112 33.776 -1.664 1
1 1271 . 10 1 1 A 97 97 LYS C C 94 174.901 175.801 -0.900 1
1 1272 . 10 1 1 A 98 98 ASN N N 95 116.979 117.578 -0.599 1
1 1273 . 10 1 1 A 98 98 ASN H H 95 8.150 8.069 0.081 1
1 1274 . 10 1 1 A 98 98 ASN CA C 95 53.822 53.917 -0.095 1
1 1275 . 10 1 1 A 98 98 ASN HA H 95 4.370 4.332 0.038 1
1 1276 . 10 1 1 A 98 98 ASN CB C 95 36.674 37.001 -0.327 1
1 1282 . 10 1 1 A 98 98 ASN C C 95 173.779 173.920 -0.141 1
1 1283 . 10 1 1 A 99 99 GLU N N 96 118.529 117.562 0.967 1
1 1284 . 10 1 1 A 99 99 GLU H H 96 8.236 7.524 0.712 1
1 1285 . 10 1 1 A 99 99 GLU CA C 96 52.891 53.237 -0.346 1
1 1286 . 10 1 1 A 99 99 GLU HA H 96 4.673 4.802 -0.129 1
1 1287 . 10 1 1 A 99 99 GLU CB C 96 30.358 32.310 -1.952 1
1 1292 . 10 1 1 A 100 100 PRO CA C 97 62.037 62.853 -0.816 1
1 1293 . 10 1 1 A 100 100 PRO HA H 97 4.272 4.582 -0.310 1
1 1294 . 10 1 1 A 100 100 PRO CB C 97 31.609 32.089 -0.480 1
1 1302 . 10 1 1 A 100 100 PRO C C 97 176.184 177.173 -0.989 1
1 1303 . 10 1 1 A 101 101 LEU N N 98 122.794 123.958 -1.164 1
1 1304 . 10 1 1 A 101 101 LEU H H 98 8.832 8.423 0.409 1
1 1305 . 10 1 1 A 101 101 LEU CA C 98 52.524 53.217 -0.693 1
1 1306 . 10 1 1 A 101 101 LEU HA H 98 4.654 4.634 0.020 1
1 1307 . 10 1 1 A 101 101 LEU CB C 98 40.422 41.242 -0.820 1
1 1321 . 10 1 1 A 102 102 PRO CA C 99 61.075 62.160 -1.085 1
1 1322 . 10 1 1 A 102 102 PRO HA H 99 4.629 4.619 0.010 1
1 1323 . 10 1 1 A 102 102 PRO CB C 99 31.778 32.866 -1.088 1
1 1328 . 10 1 1 A 102 102 PRO C C 99 174.604 176.353 -1.749 1
1 1329 . 10 1 1 A 103 103 VAL N N 100 120.834 120.936 -0.102 1
1 1330 . 10 1 1 A 103 103 VAL H H 100 8.661 8.541 0.120 1
1 1331 . 10 1 1 A 103 103 VAL CA C 100 62.977 62.885 0.092 1
1 1332 . 10 1 1 A 103 103 VAL HA H 100 3.860 4.111 -0.251 1
1 1333 . 10 1 1 A 103 103 VAL CB C 100 31.731 31.926 -0.195 1
1 1342 . 10 1 1 A 103 103 VAL C C 100 177.396 176.318 1.078 1
1 1343 . 10 1 1 A 104 104 TYR N N 101 129.973 126.658 3.315 1
1 1344 . 10 1 1 A 104 104 TYR H H 101 8.487 9.234 -0.747 1
1 1345 . 10 1 1 A 104 104 TYR CA C 101 62.855 62.027 0.828 1
1 1346 . 10 1 1 A 104 104 TYR HA H 101 3.802 4.105 -0.303 1
1 1347 . 10 1 1 A 104 104 TYR CB C 101 38.429 39.011 -0.582 1
1 1356 . 10 1 1 A 104 104 TYR C C 101 175.877 177.631 -1.754 1
1 1357 . 10 1 1 A 105 105 LYS N N 102 117.165 119.260 -2.095 1
1 1358 . 10 1 1 A 105 105 LYS H H 102 8.848 8.157 0.691 1
1 1359 . 10 1 1 A 105 105 LYS CA C 102 59.343 59.664 -0.321 1
1 1360 . 10 1 1 A 105 105 LYS HA H 102 3.810 4.085 -0.275 1
1 1361 . 10 1 1 A 105 105 LYS CB C 102 31.739 32.234 -0.495 1
1 1373 . 10 1 1 A 105 105 LYS C C 102 177.370 178.143 -0.773 1
1 1374 . 10 1 1 A 106 106 ASP N N 103 117.011 120.399 -3.388 1
1 1375 . 10 1 1 A 106 106 ASP H H 103 6.781 8.226 -1.445 1
1 1376 . 10 1 1 A 106 106 ASP CA C 103 56.155 57.737 -1.582 1
1 1377 . 10 1 1 A 106 106 ASP HA H 103 4.454 4.280 0.174 1
1 1378 . 10 1 1 A 106 106 ASP CB C 103 39.467 41.525 -2.058 1
1 1381 . 10 1 1 A 106 106 ASP C C 103 178.180 178.070 0.110 1
1 1382 . 10 1 1 A 107 107 LEU N N 104 124.145 119.821 4.324 1
1 1383 . 10 1 1 A 107 107 LEU H H 104 7.687 8.347 -0.660 1
1 1384 . 10 1 1 A 107 107 LEU CA C 104 56.938 57.946 -1.008 1
1 1385 . 10 1 1 A 107 107 LEU HA H 104 4.000 3.856 0.144 1
1 1386 . 10 1 1 A 107 107 LEU CB C 104 41.707 41.597 0.110 1
1 1399 . 10 1 1 A 107 107 LEU C C 104 176.403 178.790 -2.387 1
1 1400 . 10 1 1 A 108 108 TRP N N 105 120.039 120.590 -0.551 1
1 1401 . 10 1 1 A 108 108 TRP H H 105 9.072 8.210 0.862 1
1 1402 . 10 1 1 A 108 108 TRP CA C 105 62.392 60.790 1.602 1
1 1403 . 10 1 1 A 108 108 TRP HA H 105 3.547 4.087 -0.540 1
1 1404 . 10 1 1 A 108 108 TRP CB C 105 28.316 29.255 -0.939 1
1 1415 . 10 1 1 A 108 108 TRP C C 105 176.983 178.055 -1.072 1
1 1416 . 10 1 1 A 109 109 ASN N N 106 113.557 116.514 -2.957 1
1 1417 . 10 1 1 A 109 109 ASN H H 106 8.058 8.303 -0.245 1
1 1418 . 10 1 1 A 109 109 ASN CA C 106 55.662 55.849 -0.187 1
1 1419 . 10 1 1 A 109 109 ASN HA H 106 3.994 3.849 0.145 1
1 1420 . 10 1 1 A 109 109 ASN CB C 106 37.973 37.514 0.459 1
1 1426 . 10 1 1 A 109 109 ASN C C 106 176.928 177.524 -0.596 1
1 1427 . 10 1 1 A 110 110 ALA N N 107 121.997 122.563 -0.566 1
1 1428 . 10 1 1 A 110 110 ALA H H 107 7.718 8.053 -0.335 1
1 1429 . 10 1 1 A 110 110 ALA CA C 107 54.261 55.061 -0.800 1
1 1430 . 10 1 1 A 110 110 ALA HA H 107 3.979 4.059 -0.080 1
1 1434 . 10 1 1 A 110 110 ALA CB C 107 17.322 18.425 -1.103 1
1 1435 . 10 1 1 A 110 110 ALA C C 107 180.452 180.095 0.357 1
1 1436 . 10 1 1 A 111 111 LEU N N 108 119.150 117.895 1.255 1
1 1437 . 10 1 1 A 111 111 LEU H H 108 8.200 8.574 -0.374 1
1 1438 . 10 1 1 A 111 111 LEU CA C 108 56.264 57.691 -1.427 1
1 1439 . 10 1 1 A 111 111 LEU HA H 108 3.857 4.051 -0.194 1
1 1440 . 10 1 1 A 111 111 LEU CB C 108 41.134 41.235 -0.101 1
1 1453 . 10 1 1 A 111 111 LEU C C 108 178.144 179.376 -1.232 1
1 1454 . 10 1 1 A 112 112 ARG N N 109 117.178 119.983 -2.805 1
1 1455 . 10 1 1 A 112 112 ARG H H 109 7.365 8.097 -0.732 1
1 1456 . 10 1 1 A 112 112 ARG CA C 109 56.443 59.728 -3.285 1
1 1457 . 10 1 1 A 112 112 ARG HA H 109 2.642 3.969 -1.327 1
1 1458 . 10 1 1 A 112 112 ARG CB C 109 28.901 29.920 -1.019 1
1 1469 . 10 1 1 A 112 112 ARG C C 109 176.348 179.114 -2.766 1
1 1470 . 10 1 1 A 113 113 LYS N N 110 118.628 118.974 -0.346 1
1 1471 . 10 1 1 A 113 113 LYS H H 110 7.145 7.955 -0.810 1
1 1472 . 10 1 1 A 113 113 LYS CA C 110 56.410 57.418 -1.008 1
1 1473 . 10 1 1 A 113 113 LYS HA H 110 4.018 4.219 -0.201 1
1 1474 . 10 1 1 A 113 113 LYS CB C 110 32.091 32.981 -0.890 1
1 1486 . 10 1 1 A 113 113 LYS C C 110 176.164 177.258 -1.094 1
1 5 . 11 1 1 A 2 2 SER N N -2 115.414 120.234 -4.820 1
1 6 . 11 1 1 A 2 2 SER H H -2 8.737 8.945 -0.208 1
1 7 . 11 1 1 A 2 2 SER CA C -2 57.710 58.887 -1.177 1
1 8 . 11 1 1 A 2 2 SER HA H -2 4.446 4.680 -0.234 1
1 9 . 11 1 1 A 2 2 SER CB C -2 63.365 66.104 -2.739 1
1 12 . 11 1 1 A 2 2 SER C C -2 173.826 173.902 -0.076 1
1 40 . 11 1 1 A 5 5 ILE N N 2 122.114 119.919 2.195 1
1 41 . 11 1 1 A 5 5 ILE H H 2 8.292 7.472 0.820 1
1 42 . 11 1 1 A 5 5 ILE CA C 2 60.568 59.599 0.969 1
1 43 . 11 1 1 A 5 5 ILE HA H 2 4.102 4.867 -0.765 1
1 44 . 11 1 1 A 5 5 ILE CB C 2 38.417 41.996 -3.579 1
1 57 . 11 1 1 A 5 5 ILE C C 2 174.970 174.283 0.687 1
1 58 . 11 1 1 A 6 6 ASN N N 3 122.794 120.620 2.174 1
1 59 . 11 1 1 A 6 6 ASN H H 3 8.636 8.744 -0.108 1
1 60 . 11 1 1 A 6 6 ASN CA C 3 52.274 53.278 -1.004 1
1 61 . 11 1 1 A 6 6 ASN HA H 3 4.712 5.154 -0.442 1
1 62 . 11 1 1 A 6 6 ASN CB C 3 38.194 42.610 -4.416 1
1 68 . 11 1 1 A 6 6 ASN C C 3 174.766 175.004 -0.238 1
1 69 . 11 1 1 A 7 7 LEU N N 4 123.220 123.962 -0.742 1
1 70 . 11 1 1 A 7 7 LEU H H 4 8.484 8.776 -0.292 1
1 71 . 11 1 1 A 7 7 LEU CA C 4 55.359 57.865 -2.506 1
1 72 . 11 1 1 A 7 7 LEU HA H 4 4.197 3.875 0.322 1
1 73 . 11 1 1 A 7 7 LEU CB C 4 41.461 41.615 -0.154 1
1 86 . 11 1 1 A 7 7 LEU C C 4 177.248 177.991 -0.743 1
1 87 . 11 1 1 A 8 8 GLU N N 5 119.354 118.347 1.007 1
1 88 . 11 1 1 A 8 8 GLU H H 5 8.455 7.877 0.578 1
1 89 . 11 1 1 A 8 8 GLU CA C 5 56.589 57.940 -1.351 1
1 90 . 11 1 1 A 8 8 GLU HA H 5 4.091 4.385 -0.294 1
1 91 . 11 1 1 A 8 8 GLU CB C 5 29.275 29.428 -0.153 1
1 97 . 11 1 1 A 8 8 GLU C C 5 175.981 176.386 -0.405 1
1 98 . 11 1 1 A 9 9 ASP N N 6 119.780 121.069 -1.289 1
1 99 . 11 1 1 A 9 9 ASP H H 6 8.136 7.968 0.168 1
1 100 . 11 1 1 A 9 9 ASP CA C 6 53.931 53.082 0.849 1
1 101 . 11 1 1 A 9 9 ASP HA H 6 4.492 5.002 -0.510 1
1 102 . 11 1 1 A 9 9 ASP CB C 6 40.360 41.230 -0.870 1
1 105 . 11 1 1 A 9 9 ASP C C 6 175.397 176.471 -1.074 1
1 106 . 11 1 1 A 10 10 TYR N N 7 119.939 117.992 1.947 1
1 107 . 11 1 1 A 10 10 TYR H H 7 7.902 8.682 -0.780 1
1 108 . 11 1 1 A 10 10 TYR CA C 7 57.667 58.282 -0.615 1
1 109 . 11 1 1 A 10 10 TYR HA H 7 4.431 4.591 -0.160 1
1 110 . 11 1 1 A 10 10 TYR CB C 7 38.236 38.773 -0.537 1
1 119 . 11 1 1 A 10 10 TYR C C 7 174.898 176.530 -1.632 1
1 120 . 11 1 1 A 11 11 TRP N N 8 122.648 120.830 1.818 1
1 121 . 11 1 1 A 11 11 TRP H H 8 7.917 7.897 0.020 1
1 122 . 11 1 1 A 11 11 TRP CA C 8 56.562 58.207 -1.645 1
1 123 . 11 1 1 A 11 11 TRP HA H 8 4.578 4.548 0.030 1
1 124 . 11 1 1 A 11 11 TRP CB C 8 29.293 30.929 -1.636 1
1 139 . 11 1 1 A 11 11 TRP C C 8 175.212 176.145 -0.933 1
1 140 . 11 1 1 A 12 12 GLU N N 9 122.189 117.985 4.204 1
1 141 . 11 1 1 A 12 12 GLU H H 9 8.030 8.188 -0.158 1
1 142 . 11 1 1 A 12 12 GLU CA C 9 55.743 57.287 -1.544 1
1 143 . 11 1 1 A 12 12 GLU HA H 9 4.137 4.300 -0.163 1
1 144 . 11 1 1 A 12 12 GLU CB C 9 30.001 28.611 1.390 1
1 150 . 11 1 1 A 12 12 GLU C C 9 175.138 176.270 -1.132 1
1 151 . 11 1 1 A 13 13 ASP N N 10 121.099 124.963 -3.864 1
1 152 . 11 1 1 A 13 13 ASP H H 10 8.253 9.033 -0.780 1
1 153 . 11 1 1 A 13 13 ASP CA C 10 53.843 53.976 -0.133 1
1 154 . 11 1 1 A 13 13 ASP HA H 10 4.500 5.077 -0.577 1
1 155 . 11 1 1 A 13 13 ASP CB C 10 40.715 42.334 -1.619 1
1 158 . 11 1 1 A 13 13 ASP C C 10 175.700 176.466 -0.766 1
1 159 . 11 1 1 A 14 14 GLU N N 11 121.240 117.937 3.303 1
1 160 . 11 1 1 A 14 14 GLU H H 11 8.435 8.291 0.144 1
1 161 . 11 1 1 A 14 14 GLU CA C 11 55.858 55.640 0.218 1
1 162 . 11 1 1 A 14 14 GLU HA H 11 4.289 4.446 -0.157 1
1 163 . 11 1 1 A 14 14 GLU CB C 11 29.758 29.033 0.725 1
1 169 . 11 1 1 A 14 14 GLU C C 11 176.002 176.481 -0.479 1
1 170 . 11 1 1 A 15 15 THR N N 12 118.367 112.072 6.295 1
1 171 . 11 1 1 A 15 15 THR H H 12 8.407 7.335 1.072 1
1 172 . 11 1 1 A 15 15 THR CA C 12 59.646 59.300 0.346 1
1 173 . 11 1 1 A 15 15 THR HA H 12 4.503 4.631 -0.128 1
1 174 . 11 1 1 A 15 15 THR CB C 12 69.084 68.934 0.150 1
1 181 . 11 1 1 A 16 16 PRO CA C 13 62.791 62.243 0.548 1
1 182 . 11 1 1 A 16 16 PRO HA H 13 4.408 4.611 -0.203 1
1 183 . 11 1 1 A 16 16 PRO CB C 13 31.771 33.363 -1.592 1
1 191 . 11 1 1 A 16 16 PRO C C 13 176.689 176.089 0.600 1
1 192 . 11 1 1 A 17 17 GLY N N 14 109.540 106.348 3.192 1
1 193 . 11 1 1 A 17 17 GLY H H 14 8.423 8.350 0.073 1
1 194 . 11 1 1 A 17 17 GLY CA C 14 44.219 45.958 -1.739 1
1 195 . 11 1 1 A 17 17 GLY HA2 H 14 4.010 4.401 -0.391 1
1 196 . 11 1 1 A 17 17 GLY HA3 H 14 4.159 4.413 -0.254 1
1 198 . 11 1 1 A 18 18 PRO CA C 15 62.843 62.484 0.359 1
1 199 . 11 1 1 A 18 18 PRO HA H 15 4.412 4.680 -0.268 1
1 200 . 11 1 1 A 18 18 PRO CB C 15 31.667 33.550 -1.883 1
1 208 . 11 1 1 A 18 18 PRO C C 15 176.447 175.525 0.922 1
1 209 . 11 1 1 A 19 19 ASP N N 16 119.197 120.749 -1.552 1
1 210 . 11 1 1 A 19 19 ASP H H 16 8.517 8.808 -0.291 1
1 211 . 11 1 1 A 19 19 ASP CA C 16 53.940 53.729 0.211 1
1 212 . 11 1 1 A 19 19 ASP HA H 16 4.559 4.947 -0.388 1
1 213 . 11 1 1 A 19 19 ASP CB C 16 40.180 42.362 -2.182 1
1 216 . 11 1 1 A 19 19 ASP C C 16 175.764 175.696 0.068 1
1 217 . 11 1 1 A 20 20 ARG N N 17 120.435 119.819 0.616 1
1 218 . 11 1 1 A 20 20 ARG H H 17 8.201 7.918 0.283 1
1 219 . 11 1 1 A 20 20 ARG CA C 17 55.216 57.196 -1.980 1
1 220 . 11 1 1 A 20 20 ARG HA H 17 4.356 4.597 -0.241 1
1 221 . 11 1 1 A 20 20 ARG CB C 17 30.184 33.408 -3.224 1
1 237 . 11 1 1 A 20 20 ARG C C 17 175.724 175.637 0.087 1
1 238 . 11 1 1 A 21 21 GLU N N 18 122.477 119.990 2.487 1
1 239 . 11 1 1 A 21 21 GLU H H 18 8.371 7.761 0.610 1
1 240 . 11 1 1 A 21 21 GLU CA C 18 53.658 54.642 -0.984 1
1 241 . 11 1 1 A 21 21 GLU HA H 18 4.657 4.381 0.276 1
1 242 . 11 1 1 A 21 21 GLU CB C 18 28.984 30.920 -1.936 1
1 249 . 11 1 1 A 22 22 PRO CA C 19 62.442 62.398 0.044 1
1 250 . 11 1 1 A 22 22 PRO HA H 19 4.516 4.629 -0.113 1
1 251 . 11 1 1 A 22 22 PRO CB C 19 31.903 33.164 -1.261 1
1 259 . 11 1 1 A 22 22 PRO C C 19 176.323 175.384 0.939 1
1 260 . 11 1 1 A 23 23 THR N N 20 112.531 113.383 -0.852 1
1 261 . 11 1 1 A 23 23 THR H H 20 7.946 8.421 -0.475 1
1 262 . 11 1 1 A 23 23 THR CA C 20 60.521 60.719 -0.198 1
1 263 . 11 1 1 A 23 23 THR HA H 20 4.373 4.711 -0.338 1
1 264 . 11 1 1 A 23 23 THR CB C 20 70.238 71.977 -1.739 1
1 270 . 11 1 1 A 23 23 THR C C 20 174.678 174.510 0.168 1
1 271 . 11 1 1 A 24 24 ASN N N 21 120.631 124.178 -3.547 1
1 272 . 11 1 1 A 24 24 ASN H H 21 8.958 9.069 -0.111 1
1 273 . 11 1 1 A 24 24 ASN CA C 21 54.854 56.811 -1.957 1
1 274 . 11 1 1 A 24 24 ASN HA H 21 4.467 4.303 0.164 1
1 275 . 11 1 1 A 24 24 ASN CB C 21 37.535 38.700 -1.165 1
1 281 . 11 1 1 A 24 24 ASN C C 21 176.397 176.712 -0.315 1
1 282 . 11 1 1 A 25 25 GLU N N 22 120.237 119.258 0.979 1
1 283 . 11 1 1 A 25 25 GLU H H 22 8.644 8.233 0.411 1
1 284 . 11 1 1 A 25 25 GLU CA C 22 59.195 58.907 0.288 1
1 285 . 11 1 1 A 25 25 GLU HA H 22 4.076 4.091 -0.015 1
1 286 . 11 1 1 A 25 25 GLU CB C 22 28.567 29.491 -0.924 1
1 292 . 11 1 1 A 25 25 GLU C C 22 177.942 178.673 -0.731 1
1 293 . 11 1 1 A 26 26 LEU N N 23 122.376 121.348 1.028 1
1 294 . 11 1 1 A 26 26 LEU H H 23 8.109 7.930 0.179 1
1 295 . 11 1 1 A 26 26 LEU CA C 23 56.940 58.151 -1.211 1
1 296 . 11 1 1 A 26 26 LEU HA H 23 4.247 3.953 0.294 1
1 297 . 11 1 1 A 26 26 LEU CB C 23 40.425 41.850 -1.425 1
1 310 . 11 1 1 A 26 26 LEU C C 23 178.298 178.303 -0.005 1
1 311 . 11 1 1 A 27 27 ARG N N 24 118.606 118.186 0.420 1
1 312 . 11 1 1 A 27 27 ARG H H 24 8.225 8.185 0.040 1
1 313 . 11 1 1 A 27 27 ARG CA C 24 59.892 58.865 1.027 1
1 314 . 11 1 1 A 27 27 ARG HA H 24 3.875 4.024 -0.149 1
1 315 . 11 1 1 A 27 27 ARG CB C 24 28.853 29.670 -0.817 1
1 331 . 11 1 1 A 27 27 ARG C C 24 178.374 178.514 -0.140 1
1 332 . 11 1 1 A 28 28 ASN N N 25 117.812 118.507 -0.695 1
1 333 . 11 1 1 A 28 28 ASN H H 25 8.146 8.229 -0.083 1
1 334 . 11 1 1 A 28 28 ASN CA C 25 55.753 56.371 -0.618 1
1 335 . 11 1 1 A 28 28 ASN HA H 25 4.452 4.417 0.035 1
1 336 . 11 1 1 A 28 28 ASN CB C 25 37.388 38.851 -1.463 1
1 342 . 11 1 1 A 28 28 ASN C C 25 177.043 177.932 -0.889 1
1 343 . 11 1 1 A 29 29 GLU N N 26 121.177 117.823 3.354 1
1 344 . 11 1 1 A 29 29 GLU H H 26 8.247 8.581 -0.334 1
1 345 . 11 1 1 A 29 29 GLU CA C 26 58.897 59.089 -0.192 1
1 346 . 11 1 1 A 29 29 GLU HA H 26 4.075 4.033 0.042 1
1 347 . 11 1 1 A 29 29 GLU CB C 26 29.202 29.405 -0.203 1
1 353 . 11 1 1 A 29 29 GLU C C 26 180.215 179.563 0.652 1
1 354 . 11 1 1 A 30 30 VAL N N 27 123.509 121.296 2.213 1
1 355 . 11 1 1 A 30 30 VAL H H 27 8.793 7.993 0.800 1
1 356 . 11 1 1 A 30 30 VAL CA C 27 68.051 66.671 1.380 1
1 357 . 11 1 1 A 30 30 VAL HA H 27 3.413 3.472 -0.059 1
1 358 . 11 1 1 A 30 30 VAL CB C 27 31.196 31.782 -0.586 1
1 368 . 11 1 1 A 30 30 VAL C C 27 176.589 177.739 -1.150 1
1 369 . 11 1 1 A 31 31 GLU N N 28 119.159 118.519 0.640 1
1 370 . 11 1 1 A 31 31 GLU H H 28 8.042 8.679 -0.637 1
1 371 . 11 1 1 A 31 31 GLU CA C 28 59.379 59.887 -0.508 1
1 372 . 11 1 1 A 31 31 GLU HA H 28 3.946 3.903 0.043 1
1 373 . 11 1 1 A 31 31 GLU CB C 28 28.603 29.228 -0.625 1
1 379 . 11 1 1 A 31 31 GLU C C 28 179.282 179.081 0.201 1
1 380 . 11 1 1 A 32 32 GLU N N 29 118.871 120.663 -1.792 1
1 381 . 11 1 1 A 32 32 GLU H H 29 8.550 8.120 0.430 1
1 382 . 11 1 1 A 32 32 GLU CA C 29 58.770 59.419 -0.649 1
1 383 . 11 1 1 A 32 32 GLU HA H 29 4.056 4.058 -0.002 1
1 384 . 11 1 1 A 32 32 GLU CB C 29 29.214 29.741 -0.527 1
1 390 . 11 1 1 A 32 32 GLU C C 29 178.791 179.292 -0.501 1
1 391 . 11 1 1 A 33 33 THR N N 30 117.719 116.928 0.791 1
1 392 . 11 1 1 A 33 33 THR H H 30 8.205 8.338 -0.133 1
1 393 . 11 1 1 A 33 33 THR CA C 30 67.465 66.971 0.494 1
1 394 . 11 1 1 A 33 33 THR HA H 30 3.816 3.936 -0.120 1
1 395 . 11 1 1 A 33 33 THR CB C 30 66.888 67.930 -1.042 1
1 401 . 11 1 1 A 33 33 THR C C 30 175.681 176.970 -1.289 1
1 402 . 11 1 1 A 34 34 ILE N N 31 123.925 121.649 2.276 1
1 403 . 11 1 1 A 34 34 ILE H H 31 8.698 8.228 0.470 1
1 404 . 11 1 1 A 34 34 ILE CA C 31 66.438 64.609 1.829 1
1 405 . 11 1 1 A 34 34 ILE HA H 31 3.442 3.717 -0.275 1
1 406 . 11 1 1 A 34 34 ILE CB C 31 37.311 37.463 -0.152 1
1 416 . 11 1 1 A 34 34 ILE C C 31 176.731 178.082 -1.351 1
1 417 . 11 1 1 A 35 35 THR N N 32 116.478 118.585 -2.107 1
1 418 . 11 1 1 A 35 35 THR H H 32 7.956 8.076 -0.120 1
1 419 . 11 1 1 A 35 35 THR CA C 32 66.447 67.168 -0.721 1
1 420 . 11 1 1 A 35 35 THR HA H 32 3.929 3.910 0.019 1
1 421 . 11 1 1 A 35 35 THR CB C 32 67.964 68.060 -0.096 1
1 427 . 11 1 1 A 35 35 THR C C 32 176.226 176.732 -0.506 1
1 428 . 11 1 1 A 36 36 LEU N N 33 119.834 120.437 -0.603 1
1 429 . 11 1 1 A 36 36 LEU H H 33 7.663 8.203 -0.540 1
1 430 . 11 1 1 A 36 36 LEU CA C 33 57.274 57.848 -0.574 1
1 431 . 11 1 1 A 36 36 LEU HA H 33 4.075 4.060 0.015 1
1 432 . 11 1 1 A 36 36 LEU CB C 33 42.188 41.309 0.879 1
1 445 . 11 1 1 A 36 36 LEU C C 33 179.412 179.825 -0.413 1
1 446 . 11 1 1 A 37 37 MET N N 34 119.993 117.857 2.136 1
1 447 . 11 1 1 A 37 37 MET H H 34 8.509 8.517 -0.008 1
1 448 . 11 1 1 A 37 37 MET CA C 34 57.865 57.903 -0.038 1
1 449 . 11 1 1 A 37 37 MET HA H 34 3.865 4.200 -0.335 1
1 450 . 11 1 1 A 37 37 MET CB C 34 28.735 32.323 -3.588 1
1 460 . 11 1 1 A 37 37 MET C C 34 178.772 178.159 0.613 1
1 461 . 11 1 1 A 38 38 GLU N N 35 120.011 120.668 -0.657 1
1 462 . 11 1 1 A 38 38 GLU H H 35 8.321 8.257 0.064 1
1 463 . 11 1 1 A 38 38 GLU CA C 35 58.442 58.766 -0.324 1
1 464 . 11 1 1 A 38 38 GLU HA H 35 3.928 4.071 -0.143 1
1 465 . 11 1 1 A 38 38 GLU CB C 35 28.943 29.653 -0.710 1
1 471 . 11 1 1 A 38 38 GLU C C 35 176.040 177.741 -1.701 1
1 472 . 11 1 1 A 39 39 LEU N N 36 118.349 117.866 0.483 1
1 473 . 11 1 1 A 39 39 LEU H H 36 7.441 7.250 0.191 1
1 474 . 11 1 1 A 39 39 LEU CA C 36 54.614 54.156 0.458 1
1 475 . 11 1 1 A 39 39 LEU HA H 36 4.393 4.496 -0.103 1
1 476 . 11 1 1 A 39 39 LEU CB C 36 42.210 41.051 1.159 1
1 489 . 11 1 1 A 39 39 LEU C C 36 178.113 176.861 1.252 1
1 490 . 11 1 1 A 40 40 LEU N N 37 118.362 121.979 -3.617 1
1 491 . 11 1 1 A 40 40 LEU H H 37 7.464 7.402 0.062 1
1 492 . 11 1 1 A 40 40 LEU CA C 37 54.659 55.452 -0.793 1
1 493 . 11 1 1 A 40 40 LEU HA H 37 4.400 4.083 0.317 1
1 494 . 11 1 1 A 40 40 LEU CB C 37 40.993 41.949 -0.956 1
1 507 . 11 1 1 A 40 40 LEU C C 37 177.827 176.402 1.425 1
1 508 . 11 1 1 A 41 41 LYS N N 38 120.851 125.545 -4.694 1
1 509 . 11 1 1 A 41 41 LYS H H 38 9.254 8.402 0.852 1
1 510 . 11 1 1 A 41 41 LYS CA C 38 54.727 55.676 -0.949 1
1 511 . 11 1 1 A 41 41 LYS HA H 38 4.572 4.541 0.031 1
1 512 . 11 1 1 A 41 41 LYS CB C 38 33.768 33.268 0.500 1
1 524 . 11 1 1 A 41 41 LYS C C 38 177.911 177.842 0.069 1
1 525 . 11 1 1 A 42 42 VAL N N 39 122.215 118.753 3.462 1
1 526 . 11 1 1 A 42 42 VAL H H 39 9.039 8.733 0.306 1
1 527 . 11 1 1 A 42 42 VAL CA C 39 67.408 65.362 2.046 1
1 528 . 11 1 1 A 42 42 VAL HA H 39 3.699 3.683 0.016 1
1 529 . 11 1 1 A 42 42 VAL CB C 39 31.056 31.698 -0.642 1
1 539 . 11 1 1 A 42 42 VAL C C 39 176.560 177.286 -0.726 1
1 540 . 11 1 1 A 43 43 SER N N 40 114.377 117.284 -2.907 1
1 541 . 11 1 1 A 43 43 SER H H 40 8.686 8.116 0.570 1
1 542 . 11 1 1 A 43 43 SER CA C 40 61.144 61.896 -0.752 1
1 543 . 11 1 1 A 43 43 SER HA H 40 3.933 4.039 -0.106 1
1 544 . 11 1 1 A 43 43 SER CB C 40 60.933 62.769 -1.836 1
1 547 . 11 1 1 A 43 43 SER C C 40 175.910 176.906 -0.996 1
1 548 . 11 1 1 A 44 44 GLU N N 41 122.833 122.117 0.716 1
1 549 . 11 1 1 A 44 44 GLU H H 41 6.661 7.718 -1.057 1
1 550 . 11 1 1 A 44 44 GLU CA C 41 57.315 59.238 -1.923 1
1 551 . 11 1 1 A 44 44 GLU HA H 41 4.363 4.050 0.313 1
1 552 . 11 1 1 A 44 44 GLU CB C 41 30.399 29.703 0.696 1
1 558 . 11 1 1 A 44 44 GLU C C 41 178.185 179.387 -1.202 1
1 559 . 11 1 1 A 45 45 LEU N N 42 119.110 120.357 -1.247 1
1 560 . 11 1 1 A 45 45 LEU H H 42 8.393 8.657 -0.264 1
1 561 . 11 1 1 A 45 45 LEU CA C 42 57.359 57.651 -0.292 1
1 562 . 11 1 1 A 45 45 LEU HA H 42 3.918 3.897 0.021 1
1 563 . 11 1 1 A 45 45 LEU CB C 42 42.476 41.669 0.807 1
1 576 . 11 1 1 A 45 45 LEU C C 42 179.735 179.101 0.634 1
1 577 . 11 1 1 A 46 46 LYS N N 43 118.025 119.437 -1.412 1
1 578 . 11 1 1 A 46 46 LYS H H 43 8.596 8.141 0.455 1
1 579 . 11 1 1 A 46 46 LYS CA C 43 60.844 59.780 1.064 1
1 580 . 11 1 1 A 46 46 LYS HA H 43 3.816 3.953 -0.137 1
1 581 . 11 1 1 A 46 46 LYS CB C 43 31.918 32.114 -0.196 1
1 593 . 11 1 1 A 46 46 LYS C C 43 177.672 178.527 -0.855 1
1 594 . 11 1 1 A 47 47 ASP N N 44 119.267 119.673 -0.406 1
1 595 . 11 1 1 A 47 47 ASP H H 44 7.448 8.232 -0.784 1
1 596 . 11 1 1 A 47 47 ASP CA C 44 57.422 57.392 0.030 1
1 597 . 11 1 1 A 47 47 ASP HA H 44 4.555 4.363 0.192 1
1 598 . 11 1 1 A 47 47 ASP CB C 44 39.264 40.776 -1.512 1
1 601 . 11 1 1 A 47 47 ASP C C 44 179.284 178.897 0.387 1
1 602 . 11 1 1 A 48 48 ILE N N 45 120.817 119.291 1.526 1
1 603 . 11 1 1 A 48 48 ILE H H 45 7.871 8.517 -0.646 1
1 604 . 11 1 1 A 48 48 ILE CA C 45 64.604 65.352 -0.748 1
1 605 . 11 1 1 A 48 48 ILE HA H 45 3.653 3.797 -0.144 1
1 606 . 11 1 1 A 48 48 ILE CB C 45 36.293 38.073 -1.780 1
1 619 . 11 1 1 A 48 48 ILE C C 45 177.180 177.667 -0.487 1
1 620 . 11 1 1 A 49 49 CYS N N 46 117.775 119.841 -2.066 1
1 621 . 11 1 1 A 49 49 CYS H H 46 8.543 8.275 0.268 1
1 622 . 11 1 1 A 49 49 CYS CA C 46 64.971 63.679 1.292 1
1 623 . 11 1 1 A 49 49 CYS HA H 46 3.852 3.961 -0.109 1
1 624 . 11 1 1 A 49 49 CYS CB C 46 25.872 26.762 -0.890 1
1 627 . 11 1 1 A 49 49 CYS C C 46 176.288 177.434 -1.146 1
1 628 . 11 1 1 A 50 50 ARG N N 47 118.702 120.669 -1.967 1
1 629 . 11 1 1 A 50 50 ARG H H 47 8.626 8.089 0.537 1
1 630 . 11 1 1 A 50 50 ARG CA C 47 58.983 59.659 -0.676 1
1 631 . 11 1 1 A 50 50 ARG HA H 47 4.058 4.102 -0.044 1
1 632 . 11 1 1 A 50 50 ARG CB C 47 29.512 30.315 -0.803 1
1 648 . 11 1 1 A 50 50 ARG C C 47 179.270 178.427 0.843 1
1 649 . 11 1 1 A 51 51 SER N N 48 114.502 114.317 0.185 1
1 650 . 11 1 1 A 51 51 SER H H 48 7.514 8.561 -1.047 1
1 651 . 11 1 1 A 51 51 SER CA C 48 61.745 61.393 0.352 1
1 652 . 11 1 1 A 51 51 SER HA H 48 4.308 4.253 0.055 1
1 653 . 11 1 1 A 51 51 SER CB C 48 62.780 62.728 0.052 1
1 656 . 11 1 1 A 51 51 SER C C 48 176.764 175.599 1.165 1
1 657 . 11 1 1 A 52 52 VAL N N 49 113.832 118.806 -4.974 1
1 658 . 11 1 1 A 52 52 VAL H H 49 7.511 7.784 -0.273 1
1 659 . 11 1 1 A 52 52 VAL CA C 49 60.751 61.905 -1.154 1
1 660 . 11 1 1 A 52 52 VAL HA H 49 3.760 3.756 0.004 1
1 661 . 11 1 1 A 52 52 VAL CB C 49 30.719 31.692 -0.973 1
1 671 . 11 1 1 A 52 52 VAL C C 49 173.462 175.405 -1.943 1
1 672 . 11 1 1 A 53 53 SER N N 50 112.698 116.861 -4.163 1
1 673 . 11 1 1 A 53 53 SER H H 50 7.653 8.086 -0.433 1
1 674 . 11 1 1 A 53 53 SER CA C 50 59.025 59.728 -0.703 1
1 675 . 11 1 1 A 53 53 SER HA H 50 3.911 4.092 -0.181 1
1 676 . 11 1 1 A 53 53 SER CB C 50 60.895 62.431 -1.536 1
1 679 . 11 1 1 A 53 53 SER C C 50 174.065 173.265 0.800 1
1 680 . 11 1 1 A 54 54 PHE N N 51 120.132 121.132 -1.000 1
1 681 . 11 1 1 A 54 54 PHE H H 51 8.332 7.968 0.364 1
1 682 . 11 1 1 A 54 54 PHE CA C 51 51.743 56.806 -5.063 1
1 683 . 11 1 1 A 54 54 PHE HA H 51 5.171 4.538 0.633 1
1 684 . 11 1 1 A 54 54 PHE CB C 51 37.762 38.783 -1.021 1
1 696 . 11 1 1 A 55 55 PRO CA C 52 62.176 62.664 -0.488 1
1 697 . 11 1 1 A 55 55 PRO HA H 52 4.417 4.690 -0.273 1
1 698 . 11 1 1 A 55 55 PRO CB C 52 31.347 31.644 -0.297 1
1 706 . 11 1 1 A 55 55 PRO C C 52 176.296 177.012 -0.716 1
1 707 . 11 1 1 A 56 56 VAL N N 53 109.933 125.225 -15.292 1
1 708 . 11 1 1 A 56 56 VAL H H 53 7.986 8.926 -0.940 1
1 709 . 11 1 1 A 56 56 VAL CA C 53 59.863 62.251 -2.388 1
1 710 . 11 1 1 A 56 56 VAL HA H 53 4.404 4.416 -0.012 1
1 711 . 11 1 1 A 56 56 VAL CB C 53 31.483 31.980 -0.497 1
1 721 . 11 1 1 A 56 56 VAL C C 53 175.074 176.596 -1.522 1
1 722 . 11 1 1 A 57 57 SER N N 54 114.614 116.433 -1.819 1
1 723 . 11 1 1 A 57 57 SER H H 54 7.304 8.077 -0.773 1
1 724 . 11 1 1 A 57 57 SER CA C 54 57.295 59.385 -2.090 1
1 725 . 11 1 1 A 57 57 SER HA H 54 4.363 4.374 -0.011 1
1 726 . 11 1 1 A 57 57 SER CB C 54 63.351 63.295 0.056 1
1 729 . 11 1 1 A 57 57 SER C C 54 174.225 175.669 -1.444 1
1 730 . 11 1 1 A 58 58 GLY N N 55 110.300 111.110 -0.810 1
1 731 . 11 1 1 A 58 58 GLY H H 55 8.545 7.827 0.718 1
1 732 . 11 1 1 A 58 58 GLY CA C 55 43.806 44.330 -0.524 1
1 733 . 11 1 1 A 58 58 GLY HA2 H 55 4.009 4.025 -0.016 1
1 734 . 11 1 1 A 58 58 GLY HA3 H 55 3.715 4.033 -0.318 1
1 735 . 11 1 1 A 58 58 GLY C C 55 172.483 173.208 -0.725 1
1 736 . 11 1 1 A 59 59 ARG N N 56 116.392 120.161 -3.769 1
1 737 . 11 1 1 A 59 59 ARG H H 56 7.913 8.664 -0.751 1
1 738 . 11 1 1 A 59 59 ARG CA C 56 54.769 53.942 0.827 1
1 739 . 11 1 1 A 59 59 ARG HA H 56 4.371 4.920 -0.549 1
1 740 . 11 1 1 A 59 59 ARG CB C 56 30.447 33.269 -2.822 1
1 752 . 11 1 1 A 59 59 ARG C C 56 176.019 176.213 -0.194 1
1 753 . 11 1 1 A 60 60 LYS N N 57 122.009 117.823 4.186 1
1 754 . 11 1 1 A 60 60 LYS H H 57 8.811 8.872 -0.061 1
1 755 . 11 1 1 A 60 60 LYS CA C 57 61.236 59.084 2.152 1
1 756 . 11 1 1 A 60 60 LYS HA H 57 3.606 4.047 -0.441 1
1 757 . 11 1 1 A 60 60 LYS CB C 57 32.419 31.913 0.506 1
1 769 . 11 1 1 A 60 60 LYS C C 57 176.824 178.570 -1.746 1
1 770 . 11 1 1 A 61 61 ALA N N 58 116.880 121.895 -5.015 1
1 771 . 11 1 1 A 61 61 ALA H H 58 8.794 7.842 0.952 1
1 772 . 11 1 1 A 61 61 ALA CA C 58 54.617 55.111 -0.494 1
1 773 . 11 1 1 A 61 61 ALA HA H 58 4.129 4.367 -0.238 1
1 777 . 11 1 1 A 61 61 ALA CB C 58 18.103 18.413 -0.310 1
1 778 . 11 1 1 A 61 61 ALA C C 58 179.574 179.837 -0.263 1
1 779 . 11 1 1 A 62 62 VAL N N 59 117.408 118.524 -1.116 1
1 780 . 11 1 1 A 62 62 VAL H H 59 7.047 7.998 -0.951 1
1 781 . 11 1 1 A 62 62 VAL CA C 59 64.864 67.094 -2.230 1
1 782 . 11 1 1 A 62 62 VAL HA H 59 3.701 3.545 0.156 1
1 783 . 11 1 1 A 62 62 VAL CB C 59 31.301 31.378 -0.077 1
1 793 . 11 1 1 A 62 62 VAL C C 59 178.103 178.262 -0.159 1
1 794 . 11 1 1 A 63 63 LEU N N 60 119.573 119.842 -0.269 1
1 795 . 11 1 1 A 63 63 LEU H H 60 7.585 8.237 -0.652 1
1 796 . 11 1 1 A 63 63 LEU CA C 60 57.571 58.309 -0.738 1
1 797 . 11 1 1 A 63 63 LEU HA H 60 3.923 3.915 0.008 1
1 798 . 11 1 1 A 63 63 LEU CB C 60 41.711 41.711 0.000 1
1 810 . 11 1 1 A 63 63 LEU C C 60 178.692 179.068 -0.376 1
1 811 . 11 1 1 A 64 64 GLN N N 61 114.206 117.358 -3.152 1
1 812 . 11 1 1 A 64 64 GLN H H 61 8.373 8.535 -0.162 1
1 813 . 11 1 1 A 64 64 GLN CA C 61 58.039 58.460 -0.421 1
1 814 . 11 1 1 A 64 64 GLN HA H 61 4.090 4.064 0.026 1
1 815 . 11 1 1 A 64 64 GLN CB C 61 28.670 28.407 0.263 1
1 821 . 11 1 1 A 64 64 GLN C C 61 178.207 177.316 0.891 1
1 822 . 11 1 1 A 65 65 ASP N N 62 118.671 120.263 -1.592 1
1 823 . 11 1 1 A 65 65 ASP H H 62 7.973 7.980 -0.007 1
1 824 . 11 1 1 A 65 65 ASP CA C 62 56.961 57.404 -0.443 1
1 825 . 11 1 1 A 65 65 ASP HA H 62 4.353 4.474 -0.121 1
1 826 . 11 1 1 A 65 65 ASP CB C 62 39.856 40.526 -0.670 1
1 829 . 11 1 1 A 65 65 ASP C C 62 178.113 179.046 -0.933 1
1 830 . 11 1 1 A 66 66 LEU N N 63 119.708 120.430 -0.722 1
1 831 . 11 1 1 A 66 66 LEU H H 63 7.970 8.128 -0.158 1
1 832 . 11 1 1 A 66 66 LEU CA C 63 57.549 57.854 -0.305 1
1 833 . 11 1 1 A 66 66 LEU HA H 63 3.838 4.115 -0.277 1
1 834 . 11 1 1 A 66 66 LEU CB C 63 41.235 41.591 -0.356 1
1 847 . 11 1 1 A 66 66 LEU C C 63 180.041 179.304 0.737 1
1 848 . 11 1 1 A 67 67 ILE N N 64 118.309 120.599 -2.290 1
1 849 . 11 1 1 A 67 67 ILE H H 64 7.555 8.012 -0.457 1
1 850 . 11 1 1 A 67 67 ILE CA C 64 63.895 65.246 -1.351 1
1 851 . 11 1 1 A 67 67 ILE HA H 64 3.794 3.751 0.043 1
1 852 . 11 1 1 A 67 67 ILE CB C 64 37.181 37.508 -0.327 1
1 865 . 11 1 1 A 67 67 ILE C C 64 176.949 178.014 -1.065 1
1 866 . 11 1 1 A 68 68 ARG N N 65 122.359 120.773 1.586 1
1 867 . 11 1 1 A 68 68 ARG H H 65 9.489 8.400 1.089 1
1 868 . 11 1 1 A 68 68 ARG CA C 65 60.488 58.968 1.520 1
1 869 . 11 1 1 A 68 68 ARG HA H 65 3.692 4.037 -0.345 1
1 870 . 11 1 1 A 68 68 ARG CB C 65 29.897 30.297 -0.400 1
1 880 . 11 1 1 A 68 68 ARG C C 65 177.728 178.428 -0.700 1
1 881 . 11 1 1 A 69 69 ASN N N 66 116.248 118.041 -1.793 1
1 882 . 11 1 1 A 69 69 ASN H H 66 8.546 8.197 0.349 1
1 883 . 11 1 1 A 69 69 ASN CA C 66 55.945 56.353 -0.408 1
1 884 . 11 1 1 A 69 69 ASN HA H 66 4.391 4.421 -0.030 1
1 885 . 11 1 1 A 69 69 ASN CB C 66 37.828 38.444 -0.616 1
1 891 . 11 1 1 A 69 69 ASN C C 66 176.520 178.098 -1.578 1
1 892 . 11 1 1 A 70 70 PHE N N 67 121.134 119.634 1.500 1
1 893 . 11 1 1 A 70 70 PHE H H 67 7.693 8.114 -0.421 1
1 894 . 11 1 1 A 70 70 PHE CA C 67 60.170 60.499 -0.329 1
1 895 . 11 1 1 A 70 70 PHE HA H 67 4.535 4.367 0.168 1
1 896 . 11 1 1 A 70 70 PHE CB C 67 39.838 38.949 0.889 1
1 902 . 11 1 1 A 70 70 PHE C C 67 177.756 178.076 -0.320 1
1 903 . 11 1 1 A 71 71 LEU N N 68 117.959 119.772 -1.813 1
1 904 . 11 1 1 A 71 71 LEU H H 68 8.336 8.525 -0.189 1
1 905 . 11 1 1 A 71 71 LEU CA C 68 57.468 58.073 -0.605 1
1 906 . 11 1 1 A 71 71 LEU HA H 68 3.828 3.924 -0.096 1
1 907 . 11 1 1 A 71 71 LEU CB C 68 42.156 41.714 0.442 1
1 919 . 11 1 1 A 71 71 LEU C C 68 178.037 179.305 -1.268 1
1 920 . 11 1 1 A 72 72 GLN N N 69 117.479 117.567 -0.088 1
1 921 . 11 1 1 A 72 72 GLN H H 69 8.802 8.252 0.550 1
1 922 . 11 1 1 A 72 72 GLN CA C 69 58.632 58.928 -0.296 1
1 923 . 11 1 1 A 72 72 GLN HA H 69 3.906 4.120 -0.214 1
1 924 . 11 1 1 A 72 72 GLN CB C 69 27.010 28.287 -1.277 1
1 933 . 11 1 1 A 72 72 GLN C C 69 179.337 177.904 1.433 1
1 934 . 11 1 1 A 73 73 ASN N N 70 117.551 117.413 0.138 1
1 935 . 11 1 1 A 73 73 ASN H H 70 8.124 8.167 -0.043 1
1 936 . 11 1 1 A 73 73 ASN CA C 70 54.051 55.890 -1.839 1
1 937 . 11 1 1 A 73 73 ASN HA H 70 4.602 4.505 0.097 1
1 938 . 11 1 1 A 73 73 ASN CB C 70 37.810 37.975 -0.165 1
1 944 . 11 1 1 A 73 73 ASN C C 70 175.490 177.787 -2.297 1
1 945 . 11 1 1 A 74 74 ALA N N 71 120.962 120.449 0.513 1
1 946 . 11 1 1 A 74 74 ALA H H 71 7.787 7.802 -0.015 1
1 947 . 11 1 1 A 74 74 ALA CA C 71 53.143 54.221 -1.078 1
1 948 . 11 1 1 A 74 74 ALA HA H 71 4.193 4.200 -0.007 1
1 952 . 11 1 1 A 74 74 ALA CB C 71 19.064 18.543 0.521 1
1 953 . 11 1 1 A 74 74 ALA C C 71 176.255 177.929 -1.674 1
1 954 . 11 1 1 A 75 75 LEU N N 72 112.822 111.167 1.655 1
1 955 . 11 1 1 A 75 75 LEU H H 72 7.381 7.480 -0.099 1
1 956 . 11 1 1 A 75 75 LEU CA C 72 52.987 53.492 -0.505 1
1 957 . 11 1 1 A 75 75 LEU HA H 72 4.305 4.601 -0.296 1
1 958 . 11 1 1 A 75 75 LEU CB C 72 41.490 41.721 -0.231 1
1 971 . 11 1 1 A 75 75 LEU C C 72 175.867 175.978 -0.111 1
1 972 . 11 1 1 A 76 76 VAL N N 73 120.671 120.156 0.515 1
1 973 . 11 1 1 A 76 76 VAL H H 73 6.797 7.927 -1.130 1
1 974 . 11 1 1 A 76 76 VAL CA C 73 62.994 60.626 2.368 1
1 975 . 11 1 1 A 76 76 VAL HA H 73 3.707 4.411 -0.704 1
1 976 . 11 1 1 A 76 76 VAL CB C 73 32.014 34.482 -2.468 1
1 986 . 11 1 1 A 76 76 VAL C C 73 176.144 175.934 0.210 1
1 987 . 11 1 1 A 77 77 VAL N N 74 128.303 125.682 2.621 1
1 988 . 11 1 1 A 77 77 VAL H H 74 8.407 8.536 -0.129 1
1 989 . 11 1 1 A 77 77 VAL CA C 74 64.673 65.349 -0.676 1
1 990 . 11 1 1 A 77 77 VAL HA H 74 3.651 3.524 0.127 1
1 991 . 11 1 1 A 77 77 VAL CB C 74 30.789 31.358 -0.569 1
1 1001 . 11 1 1 A 77 77 VAL C C 74 176.911 177.390 -0.479 1
1 1002 . 11 1 1 A 78 78 GLY N N 75 116.087 114.994 1.093 1
1 1003 . 11 1 1 A 78 78 GLY H H 75 8.827 9.026 -0.199 1
1 1004 . 11 1 1 A 78 78 GLY CA C 75 45.004 45.889 -0.885 1
1 1005 . 11 1 1 A 78 78 GLY HA2 H 75 4.236 3.931 0.305 1
1 1006 . 11 1 1 A 78 78 GLY HA3 H 75 3.738 3.931 -0.193 1
1 1007 . 11 1 1 A 78 78 GLY C C 75 173.779 174.368 -0.589 1
1 1008 . 11 1 1 A 79 79 LYS N N 76 121.612 121.026 0.586 1
1 1009 . 11 1 1 A 79 79 LYS H H 76 8.140 7.837 0.303 1
1 1010 . 11 1 1 A 79 79 LYS CA C 76 54.078 55.386 -1.308 1
1 1011 . 11 1 1 A 79 79 LYS HA H 76 4.588 4.543 0.045 1
1 1012 . 11 1 1 A 79 79 LYS CB C 76 32.708 33.277 -0.569 1
1 1024 . 11 1 1 A 79 79 LYS C C 76 175.177 175.751 -0.574 1
1 1025 . 11 1 1 A 80 80 SER N N 77 117.166 117.452 -0.286 1
1 1026 . 11 1 1 A 80 80 SER H H 77 8.241 7.670 0.571 1
1 1027 . 11 1 1 A 80 80 SER CA C 77 59.173 59.067 0.106 1
1 1028 . 11 1 1 A 80 80 SER HA H 77 4.356 4.369 -0.013 1
1 1029 . 11 1 1 A 80 80 SER CB C 77 63.288 63.401 -0.113 1
1 1032 . 11 1 1 A 80 80 SER C C 77 174.793 174.133 0.660 1
1 1033 . 11 1 1 A 81 81 ASP N N 78 118.775 124.972 -6.197 1
1 1034 . 11 1 1 A 81 81 ASP H H 78 8.506 8.738 -0.232 1
1 1035 . 11 1 1 A 81 81 ASP CA C 78 50.069 51.465 -1.396 1
1 1036 . 11 1 1 A 81 81 ASP HA H 78 5.423 5.172 0.251 1
1 1037 . 11 1 1 A 81 81 ASP CB C 78 41.498 41.480 0.018 1
1 1041 . 11 1 1 A 82 82 PRO CA C 79 63.656 64.302 -0.646 1
1 1042 . 11 1 1 A 82 82 PRO HA H 79 4.271 4.263 0.008 1
1 1043 . 11 1 1 A 82 82 PRO CB C 79 31.303 31.738 -0.435 1
1 1051 . 11 1 1 A 82 82 PRO C C 79 178.645 178.030 0.615 1
1 1052 . 11 1 1 A 83 83 TYR N N 80 117.360 117.399 -0.039 1
1 1053 . 11 1 1 A 83 83 TYR H H 80 7.561 7.354 0.207 1
1 1054 . 11 1 1 A 83 83 TYR CA C 80 59.635 61.469 -1.834 1
1 1055 . 11 1 1 A 83 83 TYR HA H 80 4.163 4.210 -0.047 1
1 1056 . 11 1 1 A 83 83 TYR CB C 80 35.602 38.452 -2.850 1
1 1065 . 11 1 1 A 83 83 TYR C C 80 176.904 178.467 -1.563 1
1 1066 . 11 1 1 A 84 84 ARG N N 81 120.833 119.099 1.734 1
1 1067 . 11 1 1 A 84 84 ARG H H 81 7.898 8.423 -0.525 1
1 1068 . 11 1 1 A 84 84 ARG CA C 81 58.332 59.246 -0.914 1
1 1069 . 11 1 1 A 84 84 ARG HA H 81 4.615 4.095 0.520 1
1 1070 . 11 1 1 A 84 84 ARG CB C 81 28.242 29.820 -1.578 1
1 1071 . 11 1 1 A 84 84 ARG C C 81 176.940 179.317 -2.377 1
1 1072 . 11 1 1 A 85 85 VAL N N 82 117.345 120.058 -2.713 1
1 1073 . 11 1 1 A 85 85 VAL H H 82 6.971 8.109 -1.138 1
1 1074 . 11 1 1 A 85 85 VAL CA C 82 65.663 66.860 -1.197 1
1 1075 . 11 1 1 A 85 85 VAL HA H 82 3.417 3.520 -0.103 1
1 1076 . 11 1 1 A 85 85 VAL CB C 82 31.165 31.568 -0.403 1
1 1085 . 11 1 1 A 85 85 VAL C C 82 176.601 177.815 -1.214 1
1 1086 . 11 1 1 A 86 86 GLN N N 83 117.137 120.013 -2.876 1
1 1087 . 11 1 1 A 86 86 GLN H H 83 7.536 8.427 -0.891 1
1 1088 . 11 1 1 A 86 86 GLN CA C 83 58.230 58.429 -0.199 1
1 1089 . 11 1 1 A 86 86 GLN HA H 83 3.953 4.041 -0.088 1
1 1090 . 11 1 1 A 86 86 GLN CB C 83 28.240 28.289 -0.049 1
1 1099 . 11 1 1 A 86 86 GLN C C 83 178.602 178.059 0.543 1
1 1100 . 11 1 1 A 87 87 ALA N N 84 121.452 122.231 -0.779 1
1 1101 . 11 1 1 A 87 87 ALA H H 84 8.843 7.915 0.928 1
1 1102 . 11 1 1 A 87 87 ALA CA C 84 54.905 55.180 -0.275 1
1 1103 . 11 1 1 A 87 87 ALA HA H 84 4.048 4.163 -0.115 1
1 1107 . 11 1 1 A 87 87 ALA CB C 84 18.088 18.562 -0.474 1
1 1108 . 11 1 1 A 87 87 ALA C C 84 178.498 179.803 -1.305 1
1 1109 . 11 1 1 A 88 88 VAL N N 85 117.570 118.354 -0.784 1
1 1110 . 11 1 1 A 88 88 VAL H H 85 8.515 8.449 0.066 1
1 1111 . 11 1 1 A 88 88 VAL CA C 85 67.315 66.496 0.819 1
1 1112 . 11 1 1 A 88 88 VAL HA H 85 3.764 3.434 0.330 1
1 1113 . 11 1 1 A 88 88 VAL CB C 85 30.610 31.535 -0.925 1
1 1123 . 11 1 1 A 88 88 VAL C C 85 177.138 177.799 -0.661 1
1 1124 . 11 1 1 A 89 89 LYS N N 86 120.005 120.579 -0.574 1
1 1125 . 11 1 1 A 89 89 LYS H H 86 8.612 8.359 0.253 1
1 1126 . 11 1 1 A 89 89 LYS CA C 86 60.851 59.424 1.427 1
1 1127 . 11 1 1 A 89 89 LYS HA H 86 3.827 3.939 -0.112 1
1 1128 . 11 1 1 A 89 89 LYS CB C 86 31.974 32.031 -0.057 1
1 1140 . 11 1 1 A 89 89 LYS C C 86 178.096 178.584 -0.488 1
1 1141 . 11 1 1 A 90 90 PHE N N 87 119.839 120.530 -0.691 1
1 1142 . 11 1 1 A 90 90 PHE H H 87 8.184 8.019 0.165 1
1 1143 . 11 1 1 A 90 90 PHE CA C 87 60.604 61.211 -0.607 1
1 1144 . 11 1 1 A 90 90 PHE HA H 87 4.302 4.269 0.033 1
1 1145 . 11 1 1 A 90 90 PHE CB C 87 38.349 39.112 -0.763 1
1 1154 . 11 1 1 A 90 90 PHE C C 87 177.748 177.393 0.355 1
1 1155 . 11 1 1 A 91 91 LEU N N 88 118.977 119.559 -0.582 1
1 1156 . 11 1 1 A 91 91 LEU H H 88 8.604 8.587 0.017 1
1 1157 . 11 1 1 A 91 91 LEU CA C 88 58.058 58.469 -0.411 1
1 1158 . 11 1 1 A 91 91 LEU HA H 88 3.975 3.871 0.104 1
1 1159 . 11 1 1 A 91 91 LEU CB C 88 41.114 41.976 -0.862 1
1 1169 . 11 1 1 A 91 91 LEU C C 88 178.106 179.072 -0.966 1
1 1170 . 11 1 1 A 92 92 ILE N N 89 118.378 118.949 -0.571 1
1 1171 . 11 1 1 A 92 92 ILE H H 89 8.420 8.683 -0.263 1
1 1172 . 11 1 1 A 92 92 ILE CA C 89 65.761 65.868 -0.107 1
1 1173 . 11 1 1 A 92 92 ILE HA H 89 3.542 3.478 0.064 1
1 1174 . 11 1 1 A 92 92 ILE CB C 89 37.372 38.021 -0.649 1
1 1184 . 11 1 1 A 92 92 ILE C C 89 176.952 178.367 -1.415 1
1 1185 . 11 1 1 A 93 93 GLU N N 90 120.262 120.598 -0.336 1
1 1186 . 11 1 1 A 93 93 GLU H H 90 8.133 8.216 -0.083 1
1 1187 . 11 1 1 A 93 93 GLU CA C 90 58.766 60.041 -1.275 1
1 1188 . 11 1 1 A 93 93 GLU HA H 90 4.038 3.837 0.201 1
1 1189 . 11 1 1 A 93 93 GLU CB C 90 28.466 29.056 -0.590 1
1 1195 . 11 1 1 A 93 93 GLU C C 90 178.689 178.488 0.201 1
1 1196 . 11 1 1 A 94 94 ARG N N 91 117.630 118.957 -1.327 1
1 1197 . 11 1 1 A 94 94 ARG H H 91 7.952 7.990 -0.038 1
1 1198 . 11 1 1 A 94 94 ARG CA C 91 58.343 59.070 -0.727 1
1 1199 . 11 1 1 A 94 94 ARG HA H 91 3.941 3.933 0.008 1
1 1200 . 11 1 1 A 94 94 ARG CB C 91 29.048 29.896 -0.848 1
1 1215 . 11 1 1 A 94 94 ARG C C 91 178.875 178.933 -0.058 1
1 1216 . 11 1 1 A 95 95 ILE N N 92 120.056 120.265 -0.209 1
1 1217 . 11 1 1 A 95 95 ILE H H 92 8.225 8.028 0.197 1
1 1218 . 11 1 1 A 95 95 ILE CA C 92 63.296 65.117 -1.821 1
1 1219 . 11 1 1 A 95 95 ILE HA H 92 3.972 3.798 0.174 1
1 1220 . 11 1 1 A 95 95 ILE CB C 92 36.921 36.824 0.097 1
1 1233 . 11 1 1 A 95 95 ILE C C 92 180.242 178.755 1.487 1
1 1234 . 11 1 1 A 96 96 ARG N N 93 121.023 120.942 0.081 1
1 1235 . 11 1 1 A 96 96 ARG H H 93 8.259 8.014 0.245 1
1 1236 . 11 1 1 A 96 96 ARG CA C 93 58.401 58.871 -0.470 1
1 1237 . 11 1 1 A 96 96 ARG HA H 93 4.068 4.194 -0.126 1
1 1238 . 11 1 1 A 96 96 ARG CB C 93 29.474 30.326 -0.852 1
1 1254 . 11 1 1 A 96 96 ARG C C 93 177.500 177.136 0.364 1
1 1255 . 11 1 1 A 97 97 LYS N N 94 116.750 117.333 -0.583 1
1 1256 . 11 1 1 A 97 97 LYS H H 94 7.527 7.631 -0.104 1
1 1257 . 11 1 1 A 97 97 LYS CA C 94 55.282 55.295 -0.013 1
1 1258 . 11 1 1 A 97 97 LYS HA H 94 4.274 4.415 -0.141 1
1 1259 . 11 1 1 A 97 97 LYS CB C 94 32.112 33.635 -1.523 1
1 1271 . 11 1 1 A 97 97 LYS C C 94 174.901 175.679 -0.778 1
1 1272 . 11 1 1 A 98 98 ASN N N 95 116.979 117.048 -0.069 1
1 1273 . 11 1 1 A 98 98 ASN H H 95 8.150 7.994 0.156 1
1 1274 . 11 1 1 A 98 98 ASN CA C 95 53.822 53.896 -0.074 1
1 1275 . 11 1 1 A 98 98 ASN HA H 95 4.370 4.354 0.016 1
1 1276 . 11 1 1 A 98 98 ASN CB C 95 36.674 37.199 -0.525 1
1 1282 . 11 1 1 A 98 98 ASN C C 95 173.779 174.106 -0.327 1
1 1283 . 11 1 1 A 99 99 GLU N N 96 118.529 120.492 -1.963 1
1 1284 . 11 1 1 A 99 99 GLU H H 96 8.236 8.220 0.016 1
1 1285 . 11 1 1 A 99 99 GLU CA C 96 52.891 53.249 -0.358 1
1 1286 . 11 1 1 A 99 99 GLU HA H 96 4.673 4.831 -0.158 1
1 1287 . 11 1 1 A 99 99 GLU CB C 96 30.358 31.950 -1.592 1
1 1292 . 11 1 1 A 100 100 PRO CA C 97 62.037 62.837 -0.800 1
1 1293 . 11 1 1 A 100 100 PRO HA H 97 4.272 4.804 -0.532 1
1 1294 . 11 1 1 A 100 100 PRO CB C 97 31.609 31.624 -0.015 1
1 1302 . 11 1 1 A 100 100 PRO C C 97 176.184 176.842 -0.658 1
1 1303 . 11 1 1 A 101 101 LEU N N 98 122.794 124.469 -1.675 1
1 1304 . 11 1 1 A 101 101 LEU H H 98 8.832 8.367 0.465 1
1 1305 . 11 1 1 A 101 101 LEU CA C 98 52.524 53.393 -0.869 1
1 1306 . 11 1 1 A 101 101 LEU HA H 98 4.654 4.510 0.144 1
1 1307 . 11 1 1 A 101 101 LEU CB C 98 40.422 42.248 -1.826 1
1 1321 . 11 1 1 A 102 102 PRO CA C 99 61.075 62.216 -1.141 1
1 1322 . 11 1 1 A 102 102 PRO HA H 99 4.629 4.615 0.014 1
1 1323 . 11 1 1 A 102 102 PRO CB C 99 31.778 33.126 -1.348 1
1 1328 . 11 1 1 A 102 102 PRO C C 99 174.604 176.331 -1.727 1
1 1329 . 11 1 1 A 103 103 VAL N N 100 120.834 120.975 -0.141 1
1 1330 . 11 1 1 A 103 103 VAL H H 100 8.661 8.567 0.094 1
1 1331 . 11 1 1 A 103 103 VAL CA C 100 62.977 62.744 0.233 1
1 1332 . 11 1 1 A 103 103 VAL HA H 100 3.860 4.143 -0.283 1
1 1333 . 11 1 1 A 103 103 VAL CB C 100 31.731 31.921 -0.190 1
1 1342 . 11 1 1 A 103 103 VAL C C 100 177.396 176.396 1.000 1
1 1343 . 11 1 1 A 104 104 TYR N N 101 129.973 126.756 3.217 1
1 1344 . 11 1 1 A 104 104 TYR H H 101 8.487 9.222 -0.735 1
1 1345 . 11 1 1 A 104 104 TYR CA C 101 62.855 61.971 0.884 1
1 1346 . 11 1 1 A 104 104 TYR HA H 101 3.802 4.108 -0.306 1
1 1347 . 11 1 1 A 104 104 TYR CB C 101 38.429 38.790 -0.361 1
1 1356 . 11 1 1 A 104 104 TYR C C 101 175.877 177.612 -1.735 1
1 1357 . 11 1 1 A 105 105 LYS N N 102 117.165 118.934 -1.769 1
1 1358 . 11 1 1 A 105 105 LYS H H 102 8.848 8.127 0.721 1
1 1359 . 11 1 1 A 105 105 LYS CA C 102 59.343 59.391 -0.048 1
1 1360 . 11 1 1 A 105 105 LYS HA H 102 3.810 3.734 0.076 1
1 1361 . 11 1 1 A 105 105 LYS CB C 102 31.739 32.115 -0.376 1
1 1373 . 11 1 1 A 105 105 LYS C C 102 177.370 178.130 -0.760 1
1 1374 . 11 1 1 A 106 106 ASP N N 103 117.011 120.284 -3.273 1
1 1375 . 11 1 1 A 106 106 ASP H H 103 6.781 8.175 -1.394 1
1 1376 . 11 1 1 A 106 106 ASP CA C 103 56.155 57.773 -1.618 1
1 1377 . 11 1 1 A 106 106 ASP HA H 103 4.454 4.328 0.126 1
1 1378 . 11 1 1 A 106 106 ASP CB C 103 39.467 41.532 -2.065 1
1 1381 . 11 1 1 A 106 106 ASP C C 103 178.180 178.153 0.027 1
1 1382 . 11 1 1 A 107 107 LEU N N 104 124.145 119.850 4.295 1
1 1383 . 11 1 1 A 107 107 LEU H H 104 7.687 8.332 -0.645 1
1 1384 . 11 1 1 A 107 107 LEU CA C 104 56.938 58.046 -1.108 1
1 1385 . 11 1 1 A 107 107 LEU HA H 104 4.000 3.945 0.055 1
1 1386 . 11 1 1 A 107 107 LEU CB C 104 41.707 41.741 -0.034 1
1 1399 . 11 1 1 A 107 107 LEU C C 104 176.403 178.732 -2.329 1
1 1400 . 11 1 1 A 108 108 TRP N N 105 120.039 120.575 -0.536 1
1 1401 . 11 1 1 A 108 108 TRP H H 105 9.072 8.237 0.835 1
1 1402 . 11 1 1 A 108 108 TRP CA C 105 62.392 60.743 1.649 1
1 1403 . 11 1 1 A 108 108 TRP HA H 105 3.547 4.036 -0.489 1
1 1404 . 11 1 1 A 108 108 TRP CB C 105 28.316 29.176 -0.860 1
1 1415 . 11 1 1 A 108 108 TRP C C 105 176.983 178.063 -1.080 1
1 1416 . 11 1 1 A 109 109 ASN N N 106 113.557 116.768 -3.211 1
1 1417 . 11 1 1 A 109 109 ASN H H 106 8.058 8.633 -0.575 1
1 1418 . 11 1 1 A 109 109 ASN CA C 106 55.662 56.278 -0.616 1
1 1419 . 11 1 1 A 109 109 ASN HA H 106 3.994 4.253 -0.259 1
1 1420 . 11 1 1 A 109 109 ASN CB C 106 37.973 37.690 0.283 1
1 1426 . 11 1 1 A 109 109 ASN C C 106 176.928 177.642 -0.714 1
1 1427 . 11 1 1 A 110 110 ALA N N 107 121.997 122.798 -0.801 1
1 1428 . 11 1 1 A 110 110 ALA H H 107 7.718 7.836 -0.118 1
1 1429 . 11 1 1 A 110 110 ALA CA C 107 54.261 55.031 -0.770 1
1 1430 . 11 1 1 A 110 110 ALA HA H 107 3.979 4.043 -0.064 1
1 1434 . 11 1 1 A 110 110 ALA CB C 107 17.322 18.389 -1.067 1
1 1435 . 11 1 1 A 110 110 ALA C C 107 180.452 180.118 0.334 1
1 1436 . 11 1 1 A 111 111 LEU N N 108 119.150 117.770 1.380 1
1 1437 . 11 1 1 A 111 111 LEU H H 108 8.200 8.163 0.037 1
1 1438 . 11 1 1 A 111 111 LEU CA C 108 56.264 57.411 -1.147 1
1 1439 . 11 1 1 A 111 111 LEU HA H 108 3.857 3.930 -0.073 1
1 1440 . 11 1 1 A 111 111 LEU CB C 108 41.134 40.958 0.176 1
1 1453 . 11 1 1 A 111 111 LEU C C 108 178.144 179.157 -1.013 1
1 1454 . 11 1 1 A 112 112 ARG N N 109 117.178 120.164 -2.986 1
1 1455 . 11 1 1 A 112 112 ARG H H 109 7.365 7.913 -0.548 1
1 1456 . 11 1 1 A 112 112 ARG CA C 109 56.443 59.429 -2.986 1
1 1457 . 11 1 1 A 112 112 ARG HA H 109 2.642 3.748 -1.106 1
1 1458 . 11 1 1 A 112 112 ARG CB C 109 28.901 29.331 -0.430 1
1 1469 . 11 1 1 A 112 112 ARG C C 109 176.348 178.632 -2.284 1
1 1470 . 11 1 1 A 113 113 LYS N N 110 118.628 120.223 -1.595 1
1 1471 . 11 1 1 A 113 113 LYS H H 110 7.145 7.784 -0.639 1
1 1472 . 11 1 1 A 113 113 LYS CA C 110 56.410 59.614 -3.204 1
1 1473 . 11 1 1 A 113 113 LYS HA H 110 4.018 4.032 -0.014 1
1 1474 . 11 1 1 A 113 113 LYS CB C 110 32.091 31.595 0.496 1
1 1486 . 11 1 1 A 113 113 LYS C C 110 176.164 178.847 -2.683 1
1 5 . 12 1 1 A 2 2 SER N N -2 115.414 120.527 -5.113 1
1 6 . 12 1 1 A 2 2 SER H H -2 8.737 8.951 -0.214 1
1 7 . 12 1 1 A 2 2 SER CA C -2 57.710 59.078 -1.368 1
1 8 . 12 1 1 A 2 2 SER HA H -2 4.446 4.724 -0.278 1
1 9 . 12 1 1 A 2 2 SER CB C -2 63.365 66.289 -2.924 1
1 12 . 12 1 1 A 2 2 SER C C -2 173.826 173.784 0.042 1
1 40 . 12 1 1 A 5 5 ILE N N 2 122.114 119.943 2.171 1
1 41 . 12 1 1 A 5 5 ILE H H 2 8.292 7.536 0.756 1
1 42 . 12 1 1 A 5 5 ILE CA C 2 60.568 59.647 0.921 1
1 43 . 12 1 1 A 5 5 ILE HA H 2 4.102 4.943 -0.841 1
1 44 . 12 1 1 A 5 5 ILE CB C 2 38.417 42.045 -3.628 1
1 57 . 12 1 1 A 5 5 ILE C C 2 174.970 174.269 0.701 1
1 58 . 12 1 1 A 6 6 ASN N N 3 122.794 120.865 1.929 1
1 59 . 12 1 1 A 6 6 ASN H H 3 8.636 8.825 -0.189 1
1 60 . 12 1 1 A 6 6 ASN CA C 3 52.274 53.308 -1.034 1
1 61 . 12 1 1 A 6 6 ASN HA H 3 4.712 5.206 -0.494 1
1 62 . 12 1 1 A 6 6 ASN CB C 3 38.194 42.624 -4.430 1
1 68 . 12 1 1 A 6 6 ASN C C 3 174.766 175.023 -0.257 1
1 69 . 12 1 1 A 7 7 LEU N N 4 123.220 124.047 -0.827 1
1 70 . 12 1 1 A 7 7 LEU H H 4 8.484 8.842 -0.358 1
1 71 . 12 1 1 A 7 7 LEU CA C 4 55.359 58.041 -2.682 1
1 72 . 12 1 1 A 7 7 LEU HA H 4 4.197 4.101 0.096 1
1 73 . 12 1 1 A 7 7 LEU CB C 4 41.461 41.652 -0.191 1
1 86 . 12 1 1 A 7 7 LEU C C 4 177.248 177.848 -0.600 1
1 87 . 12 1 1 A 8 8 GLU N N 5 119.354 117.638 1.716 1
1 88 . 12 1 1 A 8 8 GLU H H 5 8.455 7.693 0.762 1
1 89 . 12 1 1 A 8 8 GLU CA C 5 56.589 56.996 -0.407 1
1 90 . 12 1 1 A 8 8 GLU HA H 5 4.091 4.309 -0.218 1
1 91 . 12 1 1 A 8 8 GLU CB C 5 29.275 30.019 -0.744 1
1 97 . 12 1 1 A 8 8 GLU C C 5 175.981 175.674 0.307 1
1 98 . 12 1 1 A 9 9 ASP N N 6 119.780 122.197 -2.417 1
1 99 . 12 1 1 A 9 9 ASP H H 6 8.136 8.064 0.072 1
1 100 . 12 1 1 A 9 9 ASP CA C 6 53.931 53.585 0.346 1
1 101 . 12 1 1 A 9 9 ASP HA H 6 4.492 4.878 -0.386 1
1 102 . 12 1 1 A 9 9 ASP CB C 6 40.360 41.881 -1.521 1
1 105 . 12 1 1 A 9 9 ASP C C 6 175.397 175.257 0.140 1
1 106 . 12 1 1 A 10 10 TYR N N 7 119.939 120.190 -0.251 1
1 107 . 12 1 1 A 10 10 TYR H H 7 7.902 7.813 0.089 1
1 108 . 12 1 1 A 10 10 TYR CA C 7 57.667 57.579 0.088 1
1 109 . 12 1 1 A 10 10 TYR HA H 7 4.431 4.768 -0.337 1
1 110 . 12 1 1 A 10 10 TYR CB C 7 38.236 39.160 -0.924 1
1 119 . 12 1 1 A 10 10 TYR C C 7 174.898 175.725 -0.827 1
1 120 . 12 1 1 A 11 11 TRP N N 8 122.648 122.694 -0.046 1
1 121 . 12 1 1 A 11 11 TRP H H 8 7.917 8.313 -0.396 1
1 122 . 12 1 1 A 11 11 TRP CA C 8 56.562 58.571 -2.009 1
1 123 . 12 1 1 A 11 11 TRP HA H 8 4.578 4.869 -0.291 1
1 124 . 12 1 1 A 11 11 TRP CB C 8 29.293 31.424 -2.131 1
1 139 . 12 1 1 A 11 11 TRP C C 8 175.212 175.996 -0.784 1
1 140 . 12 1 1 A 12 12 GLU N N 9 122.189 115.674 6.515 1
1 141 . 12 1 1 A 12 12 GLU H H 9 8.030 7.984 0.046 1
1 142 . 12 1 1 A 12 12 GLU CA C 9 55.743 55.314 0.429 1
1 143 . 12 1 1 A 12 12 GLU HA H 9 4.137 4.747 -0.610 1
1 144 . 12 1 1 A 12 12 GLU CB C 9 30.001 33.337 -3.336 1
1 150 . 12 1 1 A 12 12 GLU C C 9 175.138 175.013 0.125 1
1 151 . 12 1 1 A 13 13 ASP N N 10 121.099 121.584 -0.485 1
1 152 . 12 1 1 A 13 13 ASP H H 10 8.253 9.205 -0.952 1
1 153 . 12 1 1 A 13 13 ASP CA C 10 53.843 54.087 -0.244 1
1 154 . 12 1 1 A 13 13 ASP HA H 10 4.500 5.007 -0.507 1
1 155 . 12 1 1 A 13 13 ASP CB C 10 40.715 42.169 -1.454 1
1 158 . 12 1 1 A 13 13 ASP C C 10 175.700 175.704 -0.004 1
1 159 . 12 1 1 A 14 14 GLU N N 11 121.240 118.458 2.782 1
1 160 . 12 1 1 A 14 14 GLU H H 11 8.435 7.954 0.481 1
1 161 . 12 1 1 A 14 14 GLU CA C 11 55.858 55.565 0.293 1
1 162 . 12 1 1 A 14 14 GLU HA H 11 4.289 4.554 -0.265 1
1 163 . 12 1 1 A 14 14 GLU CB C 11 29.758 30.669 -0.911 1
1 169 . 12 1 1 A 14 14 GLU C C 11 176.002 174.776 1.226 1
1 170 . 12 1 1 A 15 15 THR N N 12 118.367 112.660 5.707 1
1 171 . 12 1 1 A 15 15 THR H H 12 8.407 7.263 1.144 1
1 172 . 12 1 1 A 15 15 THR CA C 12 59.646 59.767 -0.121 1
1 173 . 12 1 1 A 15 15 THR HA H 12 4.503 4.600 -0.097 1
1 174 . 12 1 1 A 15 15 THR CB C 12 69.084 68.728 0.356 1
1 181 . 12 1 1 A 16 16 PRO CA C 13 62.791 62.282 0.509 1
1 182 . 12 1 1 A 16 16 PRO HA H 13 4.408 4.552 -0.144 1
1 183 . 12 1 1 A 16 16 PRO CB C 13 31.771 32.868 -1.097 1
1 191 . 12 1 1 A 16 16 PRO C C 13 176.689 176.864 -0.175 1
1 192 . 12 1 1 A 17 17 GLY N N 14 109.540 108.409 1.131 1
1 193 . 12 1 1 A 17 17 GLY H H 14 8.423 8.464 -0.041 1
1 194 . 12 1 1 A 17 17 GLY CA C 14 44.219 44.928 -0.709 1
1 195 . 12 1 1 A 17 17 GLY HA2 H 14 4.010 4.014 -0.004 1
1 196 . 12 1 1 A 17 17 GLY HA3 H 14 4.159 4.022 0.137 1
1 198 . 12 1 1 A 18 18 PRO CA C 15 62.843 62.825 0.018 1
1 199 . 12 1 1 A 18 18 PRO HA H 15 4.412 4.535 -0.123 1
1 200 . 12 1 1 A 18 18 PRO CB C 15 31.667 32.456 -0.789 1
1 208 . 12 1 1 A 18 18 PRO C C 15 176.447 175.934 0.513 1
1 209 . 12 1 1 A 19 19 ASP N N 16 119.197 121.576 -2.379 1
1 210 . 12 1 1 A 19 19 ASP H H 16 8.517 8.487 0.030 1
1 211 . 12 1 1 A 19 19 ASP CA C 16 53.940 53.009 0.931 1
1 212 . 12 1 1 A 19 19 ASP HA H 16 4.559 4.810 -0.251 1
1 213 . 12 1 1 A 19 19 ASP CB C 16 40.180 40.010 0.170 1
1 216 . 12 1 1 A 19 19 ASP C C 16 175.764 175.544 0.220 1
1 217 . 12 1 1 A 20 20 ARG N N 17 120.435 114.976 5.459 1
1 218 . 12 1 1 A 20 20 ARG H H 17 8.201 7.866 0.335 1
1 219 . 12 1 1 A 20 20 ARG CA C 17 55.216 57.073 -1.857 1
1 220 . 12 1 1 A 20 20 ARG HA H 17 4.356 3.854 0.502 1
1 221 . 12 1 1 A 20 20 ARG CB C 17 30.184 27.266 2.918 1
1 237 . 12 1 1 A 20 20 ARG C C 17 175.724 174.329 1.395 1
1 238 . 12 1 1 A 21 21 GLU N N 18 122.477 118.960 3.517 1
1 239 . 12 1 1 A 21 21 GLU H H 18 8.371 7.513 0.858 1
1 240 . 12 1 1 A 21 21 GLU CA C 18 53.658 53.805 -0.147 1
1 241 . 12 1 1 A 21 21 GLU HA H 18 4.657 4.652 0.005 1
1 242 . 12 1 1 A 21 21 GLU CB C 18 28.984 30.601 -1.617 1
1 249 . 12 1 1 A 22 22 PRO CA C 19 62.442 62.905 -0.463 1
1 250 . 12 1 1 A 22 22 PRO HA H 19 4.516 4.747 -0.231 1
1 251 . 12 1 1 A 22 22 PRO CB C 19 31.903 31.832 0.071 1
1 259 . 12 1 1 A 22 22 PRO C C 19 176.323 176.143 0.180 1
1 260 . 12 1 1 A 23 23 THR N N 20 112.531 118.205 -5.674 1
1 261 . 12 1 1 A 23 23 THR H H 20 7.946 8.684 -0.738 1
1 262 . 12 1 1 A 23 23 THR CA C 20 60.521 60.855 -0.334 1
1 263 . 12 1 1 A 23 23 THR HA H 20 4.373 4.815 -0.442 1
1 264 . 12 1 1 A 23 23 THR CB C 20 70.238 71.641 -1.403 1
1 270 . 12 1 1 A 23 23 THR C C 20 174.678 174.822 -0.144 1
1 271 . 12 1 1 A 24 24 ASN N N 21 120.631 124.790 -4.159 1
1 272 . 12 1 1 A 24 24 ASN H H 21 8.958 9.103 -0.145 1
1 273 . 12 1 1 A 24 24 ASN CA C 21 54.854 56.847 -1.993 1
1 274 . 12 1 1 A 24 24 ASN HA H 21 4.467 4.285 0.182 1
1 275 . 12 1 1 A 24 24 ASN CB C 21 37.535 38.714 -1.179 1
1 281 . 12 1 1 A 24 24 ASN C C 21 176.397 176.890 -0.493 1
1 282 . 12 1 1 A 25 25 GLU N N 22 120.237 119.279 0.958 1
1 283 . 12 1 1 A 25 25 GLU H H 22 8.644 8.256 0.388 1
1 284 . 12 1 1 A 25 25 GLU CA C 22 59.195 58.900 0.295 1
1 285 . 12 1 1 A 25 25 GLU HA H 22 4.076 4.120 -0.044 1
1 286 . 12 1 1 A 25 25 GLU CB C 22 28.567 29.486 -0.919 1
1 292 . 12 1 1 A 25 25 GLU C C 22 177.942 178.703 -0.761 1
1 293 . 12 1 1 A 26 26 LEU N N 23 122.376 121.379 0.997 1
1 294 . 12 1 1 A 26 26 LEU H H 23 8.109 8.133 -0.024 1
1 295 . 12 1 1 A 26 26 LEU CA C 23 56.940 58.124 -1.184 1
1 296 . 12 1 1 A 26 26 LEU HA H 23 4.247 3.988 0.259 1
1 297 . 12 1 1 A 26 26 LEU CB C 23 40.425 41.861 -1.436 1
1 310 . 12 1 1 A 26 26 LEU C C 23 178.298 178.322 -0.024 1
1 311 . 12 1 1 A 27 27 ARG N N 24 118.606 118.207 0.399 1
1 312 . 12 1 1 A 27 27 ARG H H 24 8.225 8.208 0.017 1
1 313 . 12 1 1 A 27 27 ARG CA C 24 59.892 58.956 0.936 1
1 314 . 12 1 1 A 27 27 ARG HA H 24 3.875 4.035 -0.160 1
1 315 . 12 1 1 A 27 27 ARG CB C 24 28.853 29.680 -0.827 1
1 331 . 12 1 1 A 27 27 ARG C C 24 178.374 178.540 -0.166 1
1 332 . 12 1 1 A 28 28 ASN N N 25 117.812 118.518 -0.706 1
1 333 . 12 1 1 A 28 28 ASN H H 25 8.146 8.240 -0.094 1
1 334 . 12 1 1 A 28 28 ASN CA C 25 55.753 56.550 -0.797 1
1 335 . 12 1 1 A 28 28 ASN HA H 25 4.452 4.452 0.000 1
1 336 . 12 1 1 A 28 28 ASN CB C 25 37.388 38.968 -1.580 1
1 342 . 12 1 1 A 28 28 ASN C C 25 177.043 177.788 -0.745 1
1 343 . 12 1 1 A 29 29 GLU N N 26 121.177 118.290 2.887 1
1 344 . 12 1 1 A 29 29 GLU H H 26 8.247 8.495 -0.248 1
1 345 . 12 1 1 A 29 29 GLU CA C 26 58.897 59.202 -0.305 1
1 346 . 12 1 1 A 29 29 GLU HA H 26 4.075 4.084 -0.009 1
1 347 . 12 1 1 A 29 29 GLU CB C 26 29.202 29.388 -0.186 1
1 353 . 12 1 1 A 29 29 GLU C C 26 180.215 179.746 0.469 1
1 354 . 12 1 1 A 30 30 VAL N N 27 123.509 121.387 2.122 1
1 355 . 12 1 1 A 30 30 VAL H H 27 8.793 7.925 0.868 1
1 356 . 12 1 1 A 30 30 VAL CA C 27 68.051 66.868 1.183 1
1 357 . 12 1 1 A 30 30 VAL HA H 27 3.413 3.845 -0.432 1
1 358 . 12 1 1 A 30 30 VAL CB C 27 31.196 31.438 -0.242 1
1 368 . 12 1 1 A 30 30 VAL C C 27 176.589 178.165 -1.576 1
1 369 . 12 1 1 A 31 31 GLU N N 28 119.159 118.999 0.160 1
1 370 . 12 1 1 A 31 31 GLU H H 28 8.042 8.286 -0.244 1
1 371 . 12 1 1 A 31 31 GLU CA C 28 59.379 59.698 -0.319 1
1 372 . 12 1 1 A 31 31 GLU HA H 28 3.946 4.031 -0.085 1
1 373 . 12 1 1 A 31 31 GLU CB C 28 28.603 29.221 -0.618 1
1 379 . 12 1 1 A 31 31 GLU C C 28 179.282 179.188 0.094 1
1 380 . 12 1 1 A 32 32 GLU N N 29 118.871 118.568 0.303 1
1 381 . 12 1 1 A 32 32 GLU H H 29 8.550 8.269 0.281 1
1 382 . 12 1 1 A 32 32 GLU CA C 29 58.770 59.092 -0.322 1
1 383 . 12 1 1 A 32 32 GLU HA H 29 4.056 4.103 -0.047 1
1 384 . 12 1 1 A 32 32 GLU CB C 29 29.214 28.928 0.286 1
1 390 . 12 1 1 A 32 32 GLU C C 29 178.791 178.398 0.393 1
1 391 . 12 1 1 A 33 33 THR N N 30 117.719 112.292 5.427 1
1 392 . 12 1 1 A 33 33 THR H H 30 8.205 8.080 0.125 1
1 393 . 12 1 1 A 33 33 THR CA C 30 67.465 65.805 1.660 1
1 394 . 12 1 1 A 33 33 THR HA H 30 3.816 4.046 -0.230 1
1 395 . 12 1 1 A 33 33 THR CB C 30 66.888 68.395 -1.507 1
1 401 . 12 1 1 A 33 33 THR C C 30 175.681 177.723 -2.042 1
1 402 . 12 1 1 A 34 34 ILE N N 31 123.925 123.201 0.724 1
1 403 . 12 1 1 A 34 34 ILE H H 31 8.698 8.010 0.688 1
1 404 . 12 1 1 A 34 34 ILE CA C 31 66.438 64.698 1.740 1
1 405 . 12 1 1 A 34 34 ILE HA H 31 3.442 3.720 -0.278 1
1 406 . 12 1 1 A 34 34 ILE CB C 31 37.311 37.425 -0.114 1
1 416 . 12 1 1 A 34 34 ILE C C 31 176.731 178.071 -1.340 1
1 417 . 12 1 1 A 35 35 THR N N 32 116.478 118.376 -1.898 1
1 418 . 12 1 1 A 35 35 THR H H 32 7.956 8.152 -0.196 1
1 419 . 12 1 1 A 35 35 THR CA C 32 66.447 67.171 -0.724 1
1 420 . 12 1 1 A 35 35 THR HA H 32 3.929 3.983 -0.054 1
1 421 . 12 1 1 A 35 35 THR CB C 32 67.964 67.819 0.145 1
1 427 . 12 1 1 A 35 35 THR C C 32 176.226 176.817 -0.591 1
1 428 . 12 1 1 A 36 36 LEU N N 33 119.834 120.278 -0.444 1
1 429 . 12 1 1 A 36 36 LEU H H 33 7.663 8.069 -0.406 1
1 430 . 12 1 1 A 36 36 LEU CA C 33 57.274 57.791 -0.517 1
1 431 . 12 1 1 A 36 36 LEU HA H 33 4.075 4.029 0.046 1
1 432 . 12 1 1 A 36 36 LEU CB C 33 42.188 41.127 1.061 1
1 445 . 12 1 1 A 36 36 LEU C C 33 179.412 179.775 -0.363 1
1 446 . 12 1 1 A 37 37 MET N N 34 119.993 117.951 2.042 1
1 447 . 12 1 1 A 37 37 MET H H 34 8.509 8.576 -0.067 1
1 448 . 12 1 1 A 37 37 MET CA C 34 57.865 57.843 0.022 1
1 449 . 12 1 1 A 37 37 MET HA H 34 3.865 4.191 -0.326 1
1 450 . 12 1 1 A 37 37 MET CB C 34 28.735 32.350 -3.615 1
1 460 . 12 1 1 A 37 37 MET C C 34 178.772 178.134 0.638 1
1 461 . 12 1 1 A 38 38 GLU N N 35 120.011 120.653 -0.642 1
1 462 . 12 1 1 A 38 38 GLU H H 35 8.321 8.244 0.077 1
1 463 . 12 1 1 A 38 38 GLU CA C 35 58.442 58.941 -0.499 1
1 464 . 12 1 1 A 38 38 GLU HA H 35 3.928 4.054 -0.126 1
1 465 . 12 1 1 A 38 38 GLU CB C 35 28.943 29.668 -0.725 1
1 471 . 12 1 1 A 38 38 GLU C C 35 176.040 177.850 -1.810 1
1 472 . 12 1 1 A 39 39 LEU N N 36 118.349 117.766 0.583 1
1 473 . 12 1 1 A 39 39 LEU H H 36 7.441 7.202 0.239 1
1 474 . 12 1 1 A 39 39 LEU CA C 36 54.614 54.094 0.520 1
1 475 . 12 1 1 A 39 39 LEU HA H 36 4.393 4.501 -0.108 1
1 476 . 12 1 1 A 39 39 LEU CB C 36 42.210 41.249 0.961 1
1 489 . 12 1 1 A 39 39 LEU C C 36 178.113 176.453 1.660 1
1 490 . 12 1 1 A 40 40 LEU N N 37 118.362 122.023 -3.661 1
1 491 . 12 1 1 A 40 40 LEU H H 37 7.464 7.449 0.015 1
1 492 . 12 1 1 A 40 40 LEU CA C 37 54.659 55.962 -1.303 1
1 493 . 12 1 1 A 40 40 LEU HA H 37 4.400 4.399 0.001 1
1 494 . 12 1 1 A 40 40 LEU CB C 37 40.993 42.756 -1.763 1
1 507 . 12 1 1 A 40 40 LEU C C 37 177.827 176.072 1.755 1
1 508 . 12 1 1 A 41 41 LYS N N 38 120.851 122.859 -2.008 1
1 509 . 12 1 1 A 41 41 LYS H H 38 9.254 8.064 1.190 1
1 510 . 12 1 1 A 41 41 LYS CA C 38 54.727 54.392 0.335 1
1 511 . 12 1 1 A 41 41 LYS HA H 38 4.572 4.647 -0.075 1
1 512 . 12 1 1 A 41 41 LYS CB C 38 33.768 34.012 -0.244 1
1 524 . 12 1 1 A 41 41 LYS C C 38 177.911 178.012 -0.101 1
1 525 . 12 1 1 A 42 42 VAL N N 39 122.215 118.318 3.897 1
1 526 . 12 1 1 A 42 42 VAL H H 39 9.039 8.746 0.293 1
1 527 . 12 1 1 A 42 42 VAL CA C 39 67.408 65.356 2.052 1
1 528 . 12 1 1 A 42 42 VAL HA H 39 3.699 3.692 0.007 1
1 529 . 12 1 1 A 42 42 VAL CB C 39 31.056 31.642 -0.586 1
1 539 . 12 1 1 A 42 42 VAL C C 39 176.560 177.493 -0.933 1
1 540 . 12 1 1 A 43 43 SER N N 40 114.377 117.167 -2.790 1
1 541 . 12 1 1 A 43 43 SER H H 40 8.686 8.163 0.523 1
1 542 . 12 1 1 A 43 43 SER CA C 40 61.144 61.608 -0.464 1
1 543 . 12 1 1 A 43 43 SER HA H 40 3.933 4.048 -0.115 1
1 544 . 12 1 1 A 43 43 SER CB C 40 60.933 63.019 -2.086 1
1 547 . 12 1 1 A 43 43 SER C C 40 175.910 176.854 -0.944 1
1 548 . 12 1 1 A 44 44 GLU N N 41 122.833 121.561 1.272 1
1 549 . 12 1 1 A 44 44 GLU H H 41 6.661 8.245 -1.584 1
1 550 . 12 1 1 A 44 44 GLU CA C 41 57.315 58.838 -1.523 1
1 551 . 12 1 1 A 44 44 GLU HA H 41 4.363 4.087 0.276 1
1 552 . 12 1 1 A 44 44 GLU CB C 41 30.399 29.503 0.896 1
1 558 . 12 1 1 A 44 44 GLU C C 41 178.185 179.247 -1.062 1
1 559 . 12 1 1 A 45 45 LEU N N 42 119.110 120.088 -0.978 1
1 560 . 12 1 1 A 45 45 LEU H H 42 8.393 8.595 -0.202 1
1 561 . 12 1 1 A 45 45 LEU CA C 42 57.359 57.695 -0.336 1
1 562 . 12 1 1 A 45 45 LEU HA H 42 3.918 3.926 -0.008 1
1 563 . 12 1 1 A 45 45 LEU CB C 42 42.476 41.591 0.885 1
1 576 . 12 1 1 A 45 45 LEU C C 42 179.735 179.293 0.442 1
1 577 . 12 1 1 A 46 46 LYS N N 43 118.025 117.477 0.548 1
1 578 . 12 1 1 A 46 46 LYS H H 43 8.596 8.171 0.425 1
1 579 . 12 1 1 A 46 46 LYS CA C 43 60.844 60.352 0.492 1
1 580 . 12 1 1 A 46 46 LYS HA H 43 3.816 3.874 -0.058 1
1 581 . 12 1 1 A 46 46 LYS CB C 43 31.918 32.190 -0.272 1
1 593 . 12 1 1 A 46 46 LYS C C 43 177.672 179.487 -1.815 1
1 594 . 12 1 1 A 47 47 ASP N N 44 119.267 119.512 -0.245 1
1 595 . 12 1 1 A 47 47 ASP H H 44 7.448 8.168 -0.720 1
1 596 . 12 1 1 A 47 47 ASP CA C 44 57.422 57.339 0.083 1
1 597 . 12 1 1 A 47 47 ASP HA H 44 4.555 4.337 0.218 1
1 598 . 12 1 1 A 47 47 ASP CB C 44 39.264 40.937 -1.673 1
1 601 . 12 1 1 A 47 47 ASP C C 44 179.284 178.937 0.347 1
1 602 . 12 1 1 A 48 48 ILE N N 45 120.817 119.104 1.713 1
1 603 . 12 1 1 A 48 48 ILE H H 45 7.871 8.072 -0.201 1
1 604 . 12 1 1 A 48 48 ILE CA C 45 64.604 65.309 -0.705 1
1 605 . 12 1 1 A 48 48 ILE HA H 45 3.653 3.532 0.121 1
1 606 . 12 1 1 A 48 48 ILE CB C 45 36.293 38.342 -2.049 1
1 619 . 12 1 1 A 48 48 ILE C C 45 177.180 177.382 -0.202 1
1 620 . 12 1 1 A 49 49 CYS N N 46 117.775 119.645 -1.870 1
1 621 . 12 1 1 A 49 49 CYS H H 46 8.543 8.467 0.076 1
1 622 . 12 1 1 A 49 49 CYS CA C 46 64.971 63.278 1.693 1
1 623 . 12 1 1 A 49 49 CYS HA H 46 3.852 3.978 -0.126 1
1 624 . 12 1 1 A 49 49 CYS CB C 46 25.872 26.935 -1.063 1
1 627 . 12 1 1 A 49 49 CYS C C 46 176.288 177.058 -0.770 1
1 628 . 12 1 1 A 50 50 ARG N N 47 118.702 122.955 -4.253 1
1 629 . 12 1 1 A 50 50 ARG H H 47 8.626 8.066 0.560 1
1 630 . 12 1 1 A 50 50 ARG CA C 47 58.983 59.169 -0.186 1
1 631 . 12 1 1 A 50 50 ARG HA H 47 4.058 4.087 -0.029 1
1 632 . 12 1 1 A 50 50 ARG CB C 47 29.512 30.234 -0.722 1
1 648 . 12 1 1 A 50 50 ARG C C 47 179.270 177.988 1.282 1
1 649 . 12 1 1 A 51 51 SER N N 48 114.502 114.334 0.168 1
1 650 . 12 1 1 A 51 51 SER H H 48 7.514 7.793 -0.279 1
1 651 . 12 1 1 A 51 51 SER CA C 48 61.745 61.718 0.027 1
1 652 . 12 1 1 A 51 51 SER HA H 48 4.308 4.222 0.086 1
1 653 . 12 1 1 A 51 51 SER CB C 48 62.780 63.264 -0.484 1
1 656 . 12 1 1 A 51 51 SER C C 48 176.764 177.346 -0.582 1
1 657 . 12 1 1 A 52 52 VAL N N 49 113.832 120.714 -6.882 1
1 658 . 12 1 1 A 52 52 VAL H H 49 7.511 7.932 -0.421 1
1 659 . 12 1 1 A 52 52 VAL CA C 49 60.751 63.959 -3.208 1
1 660 . 12 1 1 A 52 52 VAL HA H 49 3.760 3.683 0.077 1
1 661 . 12 1 1 A 52 52 VAL CB C 49 30.719 31.450 -0.731 1
1 671 . 12 1 1 A 52 52 VAL C C 49 173.462 175.164 -1.702 1
1 672 . 12 1 1 A 53 53 SER N N 50 112.698 115.367 -2.669 1
1 673 . 12 1 1 A 53 53 SER H H 50 7.653 7.998 -0.345 1
1 674 . 12 1 1 A 53 53 SER CA C 50 59.025 59.610 -0.585 1
1 675 . 12 1 1 A 53 53 SER HA H 50 3.911 4.134 -0.223 1
1 676 . 12 1 1 A 53 53 SER CB C 50 60.895 61.172 -0.277 1
1 679 . 12 1 1 A 53 53 SER C C 50 174.065 173.611 0.454 1
1 680 . 12 1 1 A 54 54 PHE N N 51 120.132 120.488 -0.356 1
1 681 . 12 1 1 A 54 54 PHE H H 51 8.332 7.860 0.472 1
1 682 . 12 1 1 A 54 54 PHE CA C 51 51.743 56.314 -4.571 1
1 683 . 12 1 1 A 54 54 PHE HA H 51 5.171 4.519 0.652 1
1 684 . 12 1 1 A 54 54 PHE CB C 51 37.762 39.276 -1.514 1
1 696 . 12 1 1 A 55 55 PRO CA C 52 62.176 62.591 -0.415 1
1 697 . 12 1 1 A 55 55 PRO HA H 52 4.417 4.674 -0.257 1
1 698 . 12 1 1 A 55 55 PRO CB C 52 31.347 31.607 -0.260 1
1 706 . 12 1 1 A 55 55 PRO C C 52 176.296 177.024 -0.728 1
1 707 . 12 1 1 A 56 56 VAL N N 53 109.933 125.283 -15.350 1
1 708 . 12 1 1 A 56 56 VAL H H 53 7.986 8.820 -0.834 1
1 709 . 12 1 1 A 56 56 VAL CA C 53 59.863 62.407 -2.544 1
1 710 . 12 1 1 A 56 56 VAL HA H 53 4.404 4.347 0.057 1
1 711 . 12 1 1 A 56 56 VAL CB C 53 31.483 32.137 -0.654 1
1 721 . 12 1 1 A 56 56 VAL C C 53 175.074 176.020 -0.946 1
1 722 . 12 1 1 A 57 57 SER N N 54 114.614 117.486 -2.872 1
1 723 . 12 1 1 A 57 57 SER H H 54 7.304 7.786 -0.482 1
1 724 . 12 1 1 A 57 57 SER CA C 54 57.295 57.913 -0.618 1
1 725 . 12 1 1 A 57 57 SER HA H 54 4.363 4.675 -0.312 1
1 726 . 12 1 1 A 57 57 SER CB C 54 63.351 63.308 0.043 1
1 729 . 12 1 1 A 57 57 SER C C 54 174.225 174.514 -0.289 1
1 730 . 12 1 1 A 58 58 GLY N N 55 110.300 109.778 0.522 1
1 731 . 12 1 1 A 58 58 GLY H H 55 8.545 8.071 0.474 1
1 732 . 12 1 1 A 58 58 GLY CA C 55 43.806 46.496 -2.690 1
1 733 . 12 1 1 A 58 58 GLY HA2 H 55 4.009 3.835 0.174 1
1 734 . 12 1 1 A 58 58 GLY HA3 H 55 3.715 3.836 -0.121 1
1 735 . 12 1 1 A 58 58 GLY C C 55 172.483 174.155 -1.672 1
1 736 . 12 1 1 A 59 59 ARG N N 56 116.392 118.105 -1.713 1
1 737 . 12 1 1 A 59 59 ARG H H 56 7.913 7.560 0.353 1
1 738 . 12 1 1 A 59 59 ARG CA C 56 54.769 55.511 -0.742 1
1 739 . 12 1 1 A 59 59 ARG HA H 56 4.371 4.666 -0.295 1
1 740 . 12 1 1 A 59 59 ARG CB C 56 30.447 33.838 -3.391 1
1 752 . 12 1 1 A 59 59 ARG C C 56 176.019 175.710 0.309 1
1 753 . 12 1 1 A 60 60 LYS N N 57 122.009 123.902 -1.893 1
1 754 . 12 1 1 A 60 60 LYS H H 57 8.811 8.704 0.107 1
1 755 . 12 1 1 A 60 60 LYS CA C 57 61.236 59.127 2.109 1
1 756 . 12 1 1 A 60 60 LYS HA H 57 3.606 4.010 -0.404 1
1 757 . 12 1 1 A 60 60 LYS CB C 57 32.419 32.118 0.301 1
1 769 . 12 1 1 A 60 60 LYS C C 57 176.824 178.075 -1.251 1
1 770 . 12 1 1 A 61 61 ALA N N 58 116.880 121.918 -5.038 1
1 771 . 12 1 1 A 61 61 ALA H H 58 8.794 7.980 0.814 1
1 772 . 12 1 1 A 61 61 ALA CA C 58 54.617 55.247 -0.630 1
1 773 . 12 1 1 A 61 61 ALA HA H 58 4.129 4.303 -0.174 1
1 777 . 12 1 1 A 61 61 ALA CB C 58 18.103 18.249 -0.146 1
1 778 . 12 1 1 A 61 61 ALA C C 58 179.574 180.404 -0.830 1
1 779 . 12 1 1 A 62 62 VAL N N 59 117.408 118.341 -0.933 1
1 780 . 12 1 1 A 62 62 VAL H H 59 7.047 7.934 -0.887 1
1 781 . 12 1 1 A 62 62 VAL CA C 59 64.864 67.015 -2.151 1
1 782 . 12 1 1 A 62 62 VAL HA H 59 3.701 3.500 0.201 1
1 783 . 12 1 1 A 62 62 VAL CB C 59 31.301 31.527 -0.226 1
1 793 . 12 1 1 A 62 62 VAL C C 59 178.103 178.129 -0.026 1
1 794 . 12 1 1 A 63 63 LEU N N 60 119.573 119.512 0.061 1
1 795 . 12 1 1 A 63 63 LEU H H 60 7.585 8.467 -0.882 1
1 796 . 12 1 1 A 63 63 LEU CA C 60 57.571 58.266 -0.695 1
1 797 . 12 1 1 A 63 63 LEU HA H 60 3.923 3.811 0.112 1
1 798 . 12 1 1 A 63 63 LEU CB C 60 41.711 41.573 0.138 1
1 810 . 12 1 1 A 63 63 LEU C C 60 178.692 178.939 -0.247 1
1 811 . 12 1 1 A 64 64 GLN N N 61 114.206 117.184 -2.978 1
1 812 . 12 1 1 A 64 64 GLN H H 61 8.373 8.631 -0.258 1
1 813 . 12 1 1 A 64 64 GLN CA C 61 58.039 58.432 -0.393 1
1 814 . 12 1 1 A 64 64 GLN HA H 61 4.090 4.006 0.084 1
1 815 . 12 1 1 A 64 64 GLN CB C 61 28.670 28.545 0.125 1
1 821 . 12 1 1 A 64 64 GLN C C 61 178.207 177.362 0.845 1
1 822 . 12 1 1 A 65 65 ASP N N 62 118.671 120.368 -1.697 1
1 823 . 12 1 1 A 65 65 ASP H H 62 7.973 7.935 0.038 1
1 824 . 12 1 1 A 65 65 ASP CA C 62 56.961 57.392 -0.431 1
1 825 . 12 1 1 A 65 65 ASP HA H 62 4.353 4.480 -0.127 1
1 826 . 12 1 1 A 65 65 ASP CB C 62 39.856 40.452 -0.596 1
1 829 . 12 1 1 A 65 65 ASP C C 62 178.113 179.054 -0.941 1
1 830 . 12 1 1 A 66 66 LEU N N 63 119.708 120.775 -1.067 1
1 831 . 12 1 1 A 66 66 LEU H H 63 7.970 8.092 -0.122 1
1 832 . 12 1 1 A 66 66 LEU CA C 63 57.549 57.919 -0.370 1
1 833 . 12 1 1 A 66 66 LEU HA H 63 3.838 4.043 -0.205 1
1 834 . 12 1 1 A 66 66 LEU CB C 63 41.235 41.980 -0.745 1
1 847 . 12 1 1 A 66 66 LEU C C 63 180.041 179.064 0.977 1
1 848 . 12 1 1 A 67 67 ILE N N 64 118.309 119.057 -0.748 1
1 849 . 12 1 1 A 67 67 ILE H H 64 7.555 7.992 -0.437 1
1 850 . 12 1 1 A 67 67 ILE CA C 64 63.895 65.132 -1.237 1
1 851 . 12 1 1 A 67 67 ILE HA H 64 3.794 3.309 0.485 1
1 852 . 12 1 1 A 67 67 ILE CB C 64 37.181 37.509 -0.328 1
1 865 . 12 1 1 A 67 67 ILE C C 64 176.949 178.122 -1.173 1
1 866 . 12 1 1 A 68 68 ARG N N 65 122.359 120.633 1.726 1
1 867 . 12 1 1 A 68 68 ARG H H 65 9.489 8.288 1.201 1
1 868 . 12 1 1 A 68 68 ARG CA C 65 60.488 60.026 0.462 1
1 869 . 12 1 1 A 68 68 ARG HA H 65 3.692 3.838 -0.146 1
1 870 . 12 1 1 A 68 68 ARG CB C 65 29.897 30.482 -0.585 1
1 880 . 12 1 1 A 68 68 ARG C C 65 177.728 179.062 -1.334 1
1 881 . 12 1 1 A 69 69 ASN N N 66 116.248 116.107 0.141 1
1 882 . 12 1 1 A 69 69 ASN H H 66 8.546 8.517 0.029 1
1 883 . 12 1 1 A 69 69 ASN CA C 66 55.945 56.407 -0.462 1
1 884 . 12 1 1 A 69 69 ASN HA H 66 4.391 4.530 -0.139 1
1 885 . 12 1 1 A 69 69 ASN CB C 66 37.828 37.882 -0.054 1
1 891 . 12 1 1 A 69 69 ASN C C 66 176.520 178.664 -2.144 1
1 892 . 12 1 1 A 70 70 PHE N N 67 121.134 119.082 2.052 1
1 893 . 12 1 1 A 70 70 PHE H H 67 7.693 8.222 -0.529 1
1 894 . 12 1 1 A 70 70 PHE CA C 67 60.170 60.832 -0.662 1
1 895 . 12 1 1 A 70 70 PHE HA H 67 4.535 4.313 0.222 1
1 896 . 12 1 1 A 70 70 PHE CB C 67 39.838 38.964 0.874 1
1 902 . 12 1 1 A 70 70 PHE C C 67 177.756 178.422 -0.666 1
1 903 . 12 1 1 A 71 71 LEU N N 68 117.959 119.366 -1.407 1
1 904 . 12 1 1 A 71 71 LEU H H 68 8.336 8.631 -0.295 1
1 905 . 12 1 1 A 71 71 LEU CA C 68 57.468 57.881 -0.413 1
1 906 . 12 1 1 A 71 71 LEU HA H 68 3.828 4.031 -0.203 1
1 907 . 12 1 1 A 71 71 LEU CB C 68 42.156 41.412 0.744 1
1 919 . 12 1 1 A 71 71 LEU C C 68 178.037 179.314 -1.277 1
1 920 . 12 1 1 A 72 72 GLN N N 69 117.479 118.416 -0.937 1
1 921 . 12 1 1 A 72 72 GLN H H 69 8.802 8.229 0.573 1
1 922 . 12 1 1 A 72 72 GLN CA C 69 58.632 59.260 -0.628 1
1 923 . 12 1 1 A 72 72 GLN HA H 69 3.906 4.077 -0.171 1
1 924 . 12 1 1 A 72 72 GLN CB C 69 27.010 28.265 -1.255 1
1 933 . 12 1 1 A 72 72 GLN C C 69 179.337 177.805 1.532 1
1 934 . 12 1 1 A 73 73 ASN N N 70 117.551 117.039 0.512 1
1 935 . 12 1 1 A 73 73 ASN H H 70 8.124 8.289 -0.165 1
1 936 . 12 1 1 A 73 73 ASN CA C 70 54.051 54.933 -0.882 1
1 937 . 12 1 1 A 73 73 ASN HA H 70 4.602 4.509 0.093 1
1 938 . 12 1 1 A 73 73 ASN CB C 70 37.810 38.460 -0.650 1
1 944 . 12 1 1 A 73 73 ASN C C 70 175.490 177.749 -2.259 1
1 945 . 12 1 1 A 74 74 ALA N N 71 120.962 120.819 0.143 1
1 946 . 12 1 1 A 74 74 ALA H H 71 7.787 7.619 0.168 1
1 947 . 12 1 1 A 74 74 ALA CA C 71 53.143 54.195 -1.052 1
1 948 . 12 1 1 A 74 74 ALA HA H 71 4.193 4.081 0.112 1
1 952 . 12 1 1 A 74 74 ALA CB C 71 19.064 18.529 0.535 1
1 953 . 12 1 1 A 74 74 ALA C C 71 176.255 177.868 -1.613 1
1 954 . 12 1 1 A 75 75 LEU N N 72 112.822 111.166 1.656 1
1 955 . 12 1 1 A 75 75 LEU H H 72 7.381 7.524 -0.143 1
1 956 . 12 1 1 A 75 75 LEU CA C 72 52.987 53.578 -0.591 1
1 957 . 12 1 1 A 75 75 LEU HA H 72 4.305 4.566 -0.261 1
1 958 . 12 1 1 A 75 75 LEU CB C 72 41.490 41.845 -0.355 1
1 971 . 12 1 1 A 75 75 LEU C C 72 175.867 175.825 0.042 1
1 972 . 12 1 1 A 76 76 VAL N N 73 120.671 122.272 -1.601 1
1 973 . 12 1 1 A 76 76 VAL H H 73 6.797 7.953 -1.156 1
1 974 . 12 1 1 A 76 76 VAL CA C 73 62.994 60.345 2.649 1
1 975 . 12 1 1 A 76 76 VAL HA H 73 3.707 4.538 -0.831 1
1 976 . 12 1 1 A 76 76 VAL CB C 73 32.014 34.356 -2.342 1
1 986 . 12 1 1 A 76 76 VAL C C 73 176.144 175.941 0.203 1
1 987 . 12 1 1 A 77 77 VAL N N 74 128.303 125.935 2.368 1
1 988 . 12 1 1 A 77 77 VAL H H 74 8.407 8.583 -0.176 1
1 989 . 12 1 1 A 77 77 VAL CA C 74 64.673 65.195 -0.522 1
1 990 . 12 1 1 A 77 77 VAL HA H 74 3.651 3.535 0.116 1
1 991 . 12 1 1 A 77 77 VAL CB C 74 30.789 31.388 -0.599 1
1 1001 . 12 1 1 A 77 77 VAL C C 74 176.911 177.369 -0.458 1
1 1002 . 12 1 1 A 78 78 GLY N N 75 116.087 115.222 0.865 1
1 1003 . 12 1 1 A 78 78 GLY H H 75 8.827 8.974 -0.147 1
1 1004 . 12 1 1 A 78 78 GLY CA C 75 45.004 46.105 -1.101 1
1 1005 . 12 1 1 A 78 78 GLY HA2 H 75 4.236 3.944 0.292 1
1 1006 . 12 1 1 A 78 78 GLY HA3 H 75 3.738 3.946 -0.208 1
1 1007 . 12 1 1 A 78 78 GLY C C 75 173.779 174.219 -0.440 1
1 1008 . 12 1 1 A 79 79 LYS N N 76 121.612 120.700 0.912 1
1 1009 . 12 1 1 A 79 79 LYS H H 76 8.140 7.653 0.487 1
1 1010 . 12 1 1 A 79 79 LYS CA C 76 54.078 55.534 -1.456 1
1 1011 . 12 1 1 A 79 79 LYS HA H 76 4.588 4.484 0.104 1
1 1012 . 12 1 1 A 79 79 LYS CB C 76 32.708 33.370 -0.662 1
1 1024 . 12 1 1 A 79 79 LYS C C 76 175.177 175.464 -0.287 1
1 1025 . 12 1 1 A 80 80 SER N N 77 117.166 116.601 0.565 1
1 1026 . 12 1 1 A 80 80 SER H H 77 8.241 7.600 0.641 1
1 1027 . 12 1 1 A 80 80 SER CA C 77 59.173 58.727 0.446 1
1 1028 . 12 1 1 A 80 80 SER HA H 77 4.356 4.341 0.015 1
1 1029 . 12 1 1 A 80 80 SER CB C 77 63.288 63.420 -0.132 1
1 1032 . 12 1 1 A 80 80 SER C C 77 174.793 173.985 0.808 1
1 1033 . 12 1 1 A 81 81 ASP N N 78 118.775 125.522 -6.747 1
1 1034 . 12 1 1 A 81 81 ASP H H 78 8.506 8.918 -0.412 1
1 1035 . 12 1 1 A 81 81 ASP CA C 78 50.069 51.402 -1.333 1
1 1036 . 12 1 1 A 81 81 ASP HA H 78 5.423 5.115 0.308 1
1 1037 . 12 1 1 A 81 81 ASP CB C 78 41.498 41.382 0.116 1
1 1041 . 12 1 1 A 82 82 PRO CA C 79 63.656 64.354 -0.698 1
1 1042 . 12 1 1 A 82 82 PRO HA H 79 4.271 4.320 -0.049 1
1 1043 . 12 1 1 A 82 82 PRO CB C 79 31.303 31.813 -0.510 1
1 1051 . 12 1 1 A 82 82 PRO C C 79 178.645 178.013 0.632 1
1 1052 . 12 1 1 A 83 83 TYR N N 80 117.360 117.432 -0.072 1
1 1053 . 12 1 1 A 83 83 TYR H H 80 7.561 7.470 0.091 1
1 1054 . 12 1 1 A 83 83 TYR CA C 80 59.635 61.602 -1.967 1
1 1055 . 12 1 1 A 83 83 TYR HA H 80 4.163 4.444 -0.281 1
1 1056 . 12 1 1 A 83 83 TYR CB C 80 35.602 38.558 -2.956 1
1 1065 . 12 1 1 A 83 83 TYR C C 80 176.904 178.521 -1.617 1
1 1066 . 12 1 1 A 84 84 ARG N N 81 120.833 118.987 1.846 1
1 1067 . 12 1 1 A 84 84 ARG H H 81 7.898 8.410 -0.512 1
1 1068 . 12 1 1 A 84 84 ARG CA C 81 58.332 59.278 -0.946 1
1 1069 . 12 1 1 A 84 84 ARG HA H 81 4.615 4.139 0.476 1
1 1070 . 12 1 1 A 84 84 ARG CB C 81 28.242 29.872 -1.630 1
1 1071 . 12 1 1 A 84 84 ARG C C 81 176.940 179.392 -2.452 1
1 1072 . 12 1 1 A 85 85 VAL N N 82 117.345 120.197 -2.852 1
1 1073 . 12 1 1 A 85 85 VAL H H 82 6.971 8.171 -1.200 1
1 1074 . 12 1 1 A 85 85 VAL CA C 82 65.663 66.773 -1.110 1
1 1075 . 12 1 1 A 85 85 VAL HA H 82 3.417 3.577 -0.160 1
1 1076 . 12 1 1 A 85 85 VAL CB C 82 31.165 31.634 -0.469 1
1 1085 . 12 1 1 A 85 85 VAL C C 82 176.601 177.859 -1.258 1
1 1086 . 12 1 1 A 86 86 GLN N N 83 117.137 120.231 -3.094 1
1 1087 . 12 1 1 A 86 86 GLN H H 83 7.536 8.574 -1.038 1
1 1088 . 12 1 1 A 86 86 GLN CA C 83 58.230 58.505 -0.275 1
1 1089 . 12 1 1 A 86 86 GLN HA H 83 3.953 4.141 -0.188 1
1 1090 . 12 1 1 A 86 86 GLN CB C 83 28.240 28.641 -0.401 1
1 1099 . 12 1 1 A 86 86 GLN C C 83 178.602 178.149 0.453 1
1 1100 . 12 1 1 A 87 87 ALA N N 84 121.452 122.383 -0.931 1
1 1101 . 12 1 1 A 87 87 ALA H H 84 8.843 7.977 0.866 1
1 1102 . 12 1 1 A 87 87 ALA CA C 84 54.905 55.216 -0.311 1
1 1103 . 12 1 1 A 87 87 ALA HA H 84 4.048 4.204 -0.156 1
1 1107 . 12 1 1 A 87 87 ALA CB C 84 18.088 18.551 -0.463 1
1 1108 . 12 1 1 A 87 87 ALA C C 84 178.498 179.904 -1.406 1
1 1109 . 12 1 1 A 88 88 VAL N N 85 117.570 118.322 -0.752 1
1 1110 . 12 1 1 A 88 88 VAL H H 85 8.515 8.434 0.081 1
1 1111 . 12 1 1 A 88 88 VAL CA C 85 67.315 66.397 0.918 1
1 1112 . 12 1 1 A 88 88 VAL HA H 85 3.764 3.484 0.280 1
1 1113 . 12 1 1 A 88 88 VAL CB C 85 30.610 31.625 -1.015 1
1 1123 . 12 1 1 A 88 88 VAL C C 85 177.138 177.757 -0.619 1
1 1124 . 12 1 1 A 89 89 LYS N N 86 120.005 120.657 -0.652 1
1 1125 . 12 1 1 A 89 89 LYS H H 86 8.612 8.542 0.070 1
1 1126 . 12 1 1 A 89 89 LYS CA C 86 60.851 59.556 1.295 1
1 1127 . 12 1 1 A 89 89 LYS HA H 86 3.827 3.971 -0.144 1
1 1128 . 12 1 1 A 89 89 LYS CB C 86 31.974 32.124 -0.150 1
1 1140 . 12 1 1 A 89 89 LYS C C 86 178.096 178.642 -0.546 1
1 1141 . 12 1 1 A 90 90 PHE N N 87 119.839 120.333 -0.494 1
1 1142 . 12 1 1 A 90 90 PHE H H 87 8.184 8.049 0.135 1
1 1143 . 12 1 1 A 90 90 PHE CA C 87 60.604 61.224 -0.620 1
1 1144 . 12 1 1 A 90 90 PHE HA H 87 4.302 4.265 0.037 1
1 1145 . 12 1 1 A 90 90 PHE CB C 87 38.349 39.133 -0.784 1
1 1154 . 12 1 1 A 90 90 PHE C C 87 177.748 177.469 0.279 1
1 1155 . 12 1 1 A 91 91 LEU N N 88 118.977 119.505 -0.528 1
1 1156 . 12 1 1 A 91 91 LEU H H 88 8.604 8.592 0.012 1
1 1157 . 12 1 1 A 91 91 LEU CA C 88 58.058 58.490 -0.432 1
1 1158 . 12 1 1 A 91 91 LEU HA H 88 3.975 3.869 0.106 1
1 1159 . 12 1 1 A 91 91 LEU CB C 88 41.114 42.049 -0.935 1
1 1169 . 12 1 1 A 91 91 LEU C C 88 178.106 179.136 -1.030 1
1 1170 . 12 1 1 A 92 92 ILE N N 89 118.378 118.849 -0.471 1
1 1171 . 12 1 1 A 92 92 ILE H H 89 8.420 8.626 -0.206 1
1 1172 . 12 1 1 A 92 92 ILE CA C 89 65.761 65.547 0.214 1
1 1173 . 12 1 1 A 92 92 ILE HA H 89 3.542 3.498 0.044 1
1 1174 . 12 1 1 A 92 92 ILE CB C 89 37.372 37.800 -0.428 1
1 1184 . 12 1 1 A 92 92 ILE C C 89 176.952 178.133 -1.181 1
1 1185 . 12 1 1 A 93 93 GLU N N 90 120.262 120.435 -0.173 1
1 1186 . 12 1 1 A 93 93 GLU H H 90 8.133 8.238 -0.105 1
1 1187 . 12 1 1 A 93 93 GLU CA C 90 58.766 59.778 -1.012 1
1 1188 . 12 1 1 A 93 93 GLU HA H 90 4.038 3.847 0.191 1
1 1189 . 12 1 1 A 93 93 GLU CB C 90 28.466 29.211 -0.745 1
1 1195 . 12 1 1 A 93 93 GLU C C 90 178.689 179.477 -0.788 1
1 1196 . 12 1 1 A 94 94 ARG N N 91 117.630 119.428 -1.798 1
1 1197 . 12 1 1 A 94 94 ARG H H 91 7.952 8.057 -0.105 1
1 1198 . 12 1 1 A 94 94 ARG CA C 91 58.343 58.927 -0.584 1
1 1199 . 12 1 1 A 94 94 ARG HA H 91 3.941 4.033 -0.092 1
1 1200 . 12 1 1 A 94 94 ARG CB C 91 29.048 30.158 -1.110 1
1 1215 . 12 1 1 A 94 94 ARG C C 91 178.875 178.787 0.088 1
1 1216 . 12 1 1 A 95 95 ILE N N 92 120.056 121.139 -1.083 1
1 1217 . 12 1 1 A 95 95 ILE H H 92 8.225 8.065 0.160 1
1 1218 . 12 1 1 A 95 95 ILE CA C 92 63.296 65.046 -1.750 1
1 1219 . 12 1 1 A 95 95 ILE HA H 92 3.972 3.714 0.258 1
1 1220 . 12 1 1 A 95 95 ILE CB C 92 36.921 37.815 -0.894 1
1 1233 . 12 1 1 A 95 95 ILE C C 92 180.242 178.339 1.903 1
1 1234 . 12 1 1 A 96 96 ARG N N 93 121.023 120.738 0.285 1
1 1235 . 12 1 1 A 96 96 ARG H H 93 8.259 8.736 -0.477 1
1 1236 . 12 1 1 A 96 96 ARG CA C 93 58.401 57.795 0.606 1
1 1237 . 12 1 1 A 96 96 ARG HA H 93 4.068 4.171 -0.103 1
1 1238 . 12 1 1 A 96 96 ARG CB C 93 29.474 29.072 0.402 1
1 1254 . 12 1 1 A 96 96 ARG C C 93 177.500 177.145 0.355 1
1 1255 . 12 1 1 A 97 97 LYS N N 94 116.750 119.458 -2.708 1
1 1256 . 12 1 1 A 97 97 LYS H H 94 7.527 7.613 -0.086 1
1 1257 . 12 1 1 A 97 97 LYS CA C 94 55.282 56.707 -1.425 1
1 1258 . 12 1 1 A 97 97 LYS HA H 94 4.274 4.440 -0.166 1
1 1259 . 12 1 1 A 97 97 LYS CB C 94 32.112 33.554 -1.442 1
1 1271 . 12 1 1 A 97 97 LYS C C 94 174.901 176.240 -1.339 1
1 1272 . 12 1 1 A 98 98 ASN N N 95 116.979 118.402 -1.423 1
1 1273 . 12 1 1 A 98 98 ASN H H 95 8.150 8.045 0.105 1
1 1274 . 12 1 1 A 98 98 ASN CA C 95 53.822 54.462 -0.640 1
1 1275 . 12 1 1 A 98 98 ASN HA H 95 4.370 4.251 0.119 1
1 1276 . 12 1 1 A 98 98 ASN CB C 95 36.674 37.268 -0.594 1
1 1282 . 12 1 1 A 98 98 ASN C C 95 173.779 174.151 -0.372 1
1 1283 . 12 1 1 A 99 99 GLU N N 96 118.529 118.446 0.083 1
1 1284 . 12 1 1 A 99 99 GLU H H 96 8.236 8.164 0.072 1
1 1285 . 12 1 1 A 99 99 GLU CA C 96 52.891 54.117 -1.226 1
1 1286 . 12 1 1 A 99 99 GLU HA H 96 4.673 4.700 -0.027 1
1 1287 . 12 1 1 A 99 99 GLU CB C 96 30.358 29.470 0.888 1
1 1292 . 12 1 1 A 100 100 PRO CA C 97 62.037 62.776 -0.739 1
1 1293 . 12 1 1 A 100 100 PRO HA H 97 4.272 4.692 -0.420 1
1 1294 . 12 1 1 A 100 100 PRO CB C 97 31.609 31.646 -0.037 1
1 1302 . 12 1 1 A 100 100 PRO C C 97 176.184 176.987 -0.803 1
1 1303 . 12 1 1 A 101 101 LEU N N 98 122.794 124.348 -1.554 1
1 1304 . 12 1 1 A 101 101 LEU H H 98 8.832 8.369 0.463 1
1 1305 . 12 1 1 A 101 101 LEU CA C 98 52.524 53.410 -0.886 1
1 1306 . 12 1 1 A 101 101 LEU HA H 98 4.654 4.531 0.123 1
1 1307 . 12 1 1 A 101 101 LEU CB C 98 40.422 42.018 -1.596 1
1 1321 . 12 1 1 A 102 102 PRO CA C 99 61.075 62.208 -1.133 1
1 1322 . 12 1 1 A 102 102 PRO HA H 99 4.629 4.612 0.017 1
1 1323 . 12 1 1 A 102 102 PRO CB C 99 31.778 33.105 -1.327 1
1 1328 . 12 1 1 A 102 102 PRO C C 99 174.604 176.179 -1.575 1
1 1329 . 12 1 1 A 103 103 VAL N N 100 120.834 120.825 0.009 1
1 1330 . 12 1 1 A 103 103 VAL H H 100 8.661 8.545 0.116 1
1 1331 . 12 1 1 A 103 103 VAL CA C 100 62.977 62.601 0.376 1
1 1332 . 12 1 1 A 103 103 VAL HA H 100 3.860 4.177 -0.317 1
1 1333 . 12 1 1 A 103 103 VAL CB C 100 31.731 31.873 -0.142 1
1 1342 . 12 1 1 A 103 103 VAL C C 100 177.396 176.477 0.919 1
1 1343 . 12 1 1 A 104 104 TYR N N 101 129.973 126.656 3.317 1
1 1344 . 12 1 1 A 104 104 TYR H H 101 8.487 9.231 -0.744 1
1 1345 . 12 1 1 A 104 104 TYR CA C 101 62.855 62.228 0.627 1
1 1346 . 12 1 1 A 104 104 TYR HA H 101 3.802 4.082 -0.280 1
1 1347 . 12 1 1 A 104 104 TYR CB C 101 38.429 39.028 -0.599 1
1 1356 . 12 1 1 A 104 104 TYR C C 101 175.877 177.590 -1.713 1
1 1357 . 12 1 1 A 105 105 LYS N N 102 117.165 118.974 -1.809 1
1 1358 . 12 1 1 A 105 105 LYS H H 102 8.848 8.069 0.779 1
1 1359 . 12 1 1 A 105 105 LYS CA C 102 59.343 59.467 -0.124 1
1 1360 . 12 1 1 A 105 105 LYS HA H 102 3.810 3.867 -0.057 1
1 1361 . 12 1 1 A 105 105 LYS CB C 102 31.739 32.190 -0.451 1
1 1373 . 12 1 1 A 105 105 LYS C C 102 177.370 178.037 -0.667 1
1 1374 . 12 1 1 A 106 106 ASP N N 103 117.011 120.283 -3.272 1
1 1375 . 12 1 1 A 106 106 ASP H H 103 6.781 8.145 -1.364 1
1 1376 . 12 1 1 A 106 106 ASP CA C 103 56.155 57.730 -1.575 1
1 1377 . 12 1 1 A 106 106 ASP HA H 103 4.454 4.276 0.178 1
1 1378 . 12 1 1 A 106 106 ASP CB C 103 39.467 41.563 -2.096 1
1 1381 . 12 1 1 A 106 106 ASP C C 103 178.180 178.081 0.099 1
1 1382 . 12 1 1 A 107 107 LEU N N 104 124.145 119.822 4.323 1
1 1383 . 12 1 1 A 107 107 LEU H H 104 7.687 8.312 -0.625 1
1 1384 . 12 1 1 A 107 107 LEU CA C 104 56.938 58.130 -1.192 1
1 1385 . 12 1 1 A 107 107 LEU HA H 104 4.000 3.901 0.099 1
1 1386 . 12 1 1 A 107 107 LEU CB C 104 41.707 41.719 -0.012 1
1 1399 . 12 1 1 A 107 107 LEU C C 104 176.403 178.751 -2.348 1
1 1400 . 12 1 1 A 108 108 TRP N N 105 120.039 120.661 -0.622 1
1 1401 . 12 1 1 A 108 108 TRP H H 105 9.072 8.374 0.698 1
1 1402 . 12 1 1 A 108 108 TRP CA C 105 62.392 60.777 1.615 1
1 1403 . 12 1 1 A 108 108 TRP HA H 105 3.547 4.052 -0.505 1
1 1404 . 12 1 1 A 108 108 TRP CB C 105 28.316 29.143 -0.827 1
1 1415 . 12 1 1 A 108 108 TRP C C 105 176.983 178.326 -1.343 1
1 1416 . 12 1 1 A 109 109 ASN N N 106 113.557 116.568 -3.011 1
1 1417 . 12 1 1 A 109 109 ASN H H 106 8.058 8.362 -0.304 1
1 1418 . 12 1 1 A 109 109 ASN CA C 106 55.662 55.943 -0.281 1
1 1419 . 12 1 1 A 109 109 ASN HA H 106 3.994 3.958 0.036 1
1 1420 . 12 1 1 A 109 109 ASN CB C 106 37.973 37.688 0.285 1
1 1426 . 12 1 1 A 109 109 ASN C C 106 176.928 177.499 -0.571 1
1 1427 . 12 1 1 A 110 110 ALA N N 107 121.997 122.547 -0.550 1
1 1428 . 12 1 1 A 110 110 ALA H H 107 7.718 7.991 -0.273 1
1 1429 . 12 1 1 A 110 110 ALA CA C 107 54.261 55.034 -0.773 1
1 1430 . 12 1 1 A 110 110 ALA HA H 107 3.979 4.040 -0.061 1
1 1434 . 12 1 1 A 110 110 ALA CB C 107 17.322 18.386 -1.064 1
1 1435 . 12 1 1 A 110 110 ALA C C 107 180.452 180.078 0.374 1
1 1436 . 12 1 1 A 111 111 LEU N N 108 119.150 117.853 1.297 1
1 1437 . 12 1 1 A 111 111 LEU H H 108 8.200 8.416 -0.216 1
1 1438 . 12 1 1 A 111 111 LEU CA C 108 56.264 57.598 -1.334 1
1 1439 . 12 1 1 A 111 111 LEU HA H 108 3.857 4.022 -0.165 1
1 1440 . 12 1 1 A 111 111 LEU CB C 108 41.134 41.076 0.058 1
1 1453 . 12 1 1 A 111 111 LEU C C 108 178.144 179.310 -1.166 1
1 1454 . 12 1 1 A 112 112 ARG N N 109 117.178 119.858 -2.680 1
1 1455 . 12 1 1 A 112 112 ARG H H 109 7.365 8.079 -0.714 1
1 1456 . 12 1 1 A 112 112 ARG CA C 109 56.443 59.572 -3.129 1
1 1457 . 12 1 1 A 112 112 ARG HA H 109 2.642 4.018 -1.376 1
1 1458 . 12 1 1 A 112 112 ARG CB C 109 28.901 29.577 -0.676 1
1 1469 . 12 1 1 A 112 112 ARG C C 109 176.348 179.099 -2.751 1
1 1470 . 12 1 1 A 113 113 LYS N N 110 118.628 118.456 0.172 1
1 1471 . 12 1 1 A 113 113 LYS H H 110 7.145 7.603 -0.458 1
1 1472 . 12 1 1 A 113 113 LYS CA C 110 56.410 57.906 -1.496 1
1 1473 . 12 1 1 A 113 113 LYS HA H 110 4.018 4.102 -0.084 1
1 1474 . 12 1 1 A 113 113 LYS CB C 110 32.091 32.886 -0.795 1
1 1486 . 12 1 1 A 113 113 LYS C C 110 176.164 176.648 -0.484 1
1 5 . 13 1 1 A 2 2 SER N N -2 115.414 114.367 1.047 1
1 6 . 13 1 1 A 2 2 SER H H -2 8.737 8.280 0.457 1
1 7 . 13 1 1 A 2 2 SER CA C -2 57.710 58.876 -1.166 1
1 8 . 13 1 1 A 2 2 SER HA H -2 4.446 4.627 -0.181 1
1 9 . 13 1 1 A 2 2 SER CB C -2 63.365 66.033 -2.668 1
1 12 . 13 1 1 A 2 2 SER C C -2 173.826 173.853 -0.027 1
1 40 . 13 1 1 A 5 5 ILE N N 2 122.114 119.863 2.251 1
1 41 . 13 1 1 A 5 5 ILE H H 2 8.292 7.487 0.805 1
1 42 . 13 1 1 A 5 5 ILE CA C 2 60.568 59.522 1.046 1
1 43 . 13 1 1 A 5 5 ILE HA H 2 4.102 4.758 -0.656 1
1 44 . 13 1 1 A 5 5 ILE CB C 2 38.417 41.891 -3.474 1
1 57 . 13 1 1 A 5 5 ILE C C 2 174.970 174.271 0.699 1
1 58 . 13 1 1 A 6 6 ASN N N 3 122.794 120.815 1.979 1
1 59 . 13 1 1 A 6 6 ASN H H 3 8.636 8.758 -0.122 1
1 60 . 13 1 1 A 6 6 ASN CA C 3 52.274 53.298 -1.024 1
1 61 . 13 1 1 A 6 6 ASN HA H 3 4.712 5.205 -0.493 1
1 62 . 13 1 1 A 6 6 ASN CB C 3 38.194 42.613 -4.419 1
1 68 . 13 1 1 A 6 6 ASN C C 3 174.766 175.046 -0.280 1
1 69 . 13 1 1 A 7 7 LEU N N 4 123.220 124.328 -1.108 1
1 70 . 13 1 1 A 7 7 LEU H H 4 8.484 8.870 -0.386 1
1 71 . 13 1 1 A 7 7 LEU CA C 4 55.359 58.126 -2.767 1
1 72 . 13 1 1 A 7 7 LEU HA H 4 4.197 4.199 -0.002 1
1 73 . 13 1 1 A 7 7 LEU CB C 4 41.461 41.628 -0.167 1
1 86 . 13 1 1 A 7 7 LEU C C 4 177.248 178.018 -0.770 1
1 87 . 13 1 1 A 8 8 GLU N N 5 119.354 117.948 1.406 1
1 88 . 13 1 1 A 8 8 GLU H H 5 8.455 7.741 0.714 1
1 89 . 13 1 1 A 8 8 GLU CA C 5 56.589 56.923 -0.334 1
1 90 . 13 1 1 A 8 8 GLU HA H 5 4.091 4.367 -0.276 1
1 91 . 13 1 1 A 8 8 GLU CB C 5 29.275 30.255 -0.980 1
1 97 . 13 1 1 A 8 8 GLU C C 5 175.981 175.666 0.315 1
1 98 . 13 1 1 A 9 9 ASP N N 6 119.780 122.098 -2.318 1
1 99 . 13 1 1 A 9 9 ASP H H 6 8.136 8.085 0.051 1
1 100 . 13 1 1 A 9 9 ASP CA C 6 53.931 53.462 0.469 1
1 101 . 13 1 1 A 9 9 ASP HA H 6 4.492 4.900 -0.408 1
1 102 . 13 1 1 A 9 9 ASP CB C 6 40.360 41.855 -1.495 1
1 105 . 13 1 1 A 9 9 ASP C C 6 175.397 175.448 -0.051 1
1 106 . 13 1 1 A 10 10 TYR N N 7 119.939 120.808 -0.869 1
1 107 . 13 1 1 A 10 10 TYR H H 7 7.902 7.882 0.020 1
1 108 . 13 1 1 A 10 10 TYR CA C 7 57.667 57.191 0.476 1
1 109 . 13 1 1 A 10 10 TYR HA H 7 4.431 4.795 -0.364 1
1 110 . 13 1 1 A 10 10 TYR CB C 7 38.236 39.627 -1.391 1
1 119 . 13 1 1 A 10 10 TYR C C 7 174.898 175.646 -0.748 1
1 120 . 13 1 1 A 11 11 TRP N N 8 122.648 122.051 0.597 1
1 121 . 13 1 1 A 11 11 TRP H H 8 7.917 8.196 -0.279 1
1 122 . 13 1 1 A 11 11 TRP CA C 8 56.562 57.914 -1.352 1
1 123 . 13 1 1 A 11 11 TRP HA H 8 4.578 4.597 -0.019 1
1 124 . 13 1 1 A 11 11 TRP CB C 8 29.293 30.238 -0.945 1
1 139 . 13 1 1 A 11 11 TRP C C 8 175.212 176.362 -1.150 1
1 140 . 13 1 1 A 12 12 GLU N N 9 122.189 115.147 7.042 1
1 141 . 13 1 1 A 12 12 GLU H H 9 8.030 7.799 0.231 1
1 142 . 13 1 1 A 12 12 GLU CA C 9 55.743 55.645 0.098 1
1 143 . 13 1 1 A 12 12 GLU HA H 9 4.137 4.580 -0.443 1
1 144 . 13 1 1 A 12 12 GLU CB C 9 30.001 32.492 -2.491 1
1 150 . 13 1 1 A 12 12 GLU C C 9 175.138 174.932 0.206 1
1 151 . 13 1 1 A 13 13 ASP N N 10 121.099 121.754 -0.655 1
1 152 . 13 1 1 A 13 13 ASP H H 10 8.253 9.046 -0.793 1
1 153 . 13 1 1 A 13 13 ASP CA C 10 53.843 54.084 -0.241 1
1 154 . 13 1 1 A 13 13 ASP HA H 10 4.500 4.939 -0.439 1
1 155 . 13 1 1 A 13 13 ASP CB C 10 40.715 42.346 -1.631 1
1 158 . 13 1 1 A 13 13 ASP C C 10 175.700 175.587 0.113 1
1 159 . 13 1 1 A 14 14 GLU N N 11 121.240 118.670 2.570 1
1 160 . 13 1 1 A 14 14 GLU H H 11 8.435 7.860 0.575 1
1 161 . 13 1 1 A 14 14 GLU CA C 11 55.858 55.628 0.230 1
1 162 . 13 1 1 A 14 14 GLU HA H 11 4.289 4.572 -0.283 1
1 163 . 13 1 1 A 14 14 GLU CB C 11 29.758 30.559 -0.801 1
1 169 . 13 1 1 A 14 14 GLU C C 11 176.002 174.768 1.234 1
1 170 . 13 1 1 A 15 15 THR N N 12 118.367 115.528 2.839 1
1 171 . 13 1 1 A 15 15 THR H H 12 8.407 7.902 0.505 1
1 172 . 13 1 1 A 15 15 THR CA C 12 59.646 57.653 1.993 1
1 173 . 13 1 1 A 15 15 THR HA H 12 4.503 4.996 -0.493 1
1 174 . 13 1 1 A 15 15 THR CB C 12 69.084 71.070 -1.986 1
1 181 . 13 1 1 A 16 16 PRO CA C 13 62.791 63.312 -0.521 1
1 182 . 13 1 1 A 16 16 PRO HA H 13 4.408 4.382 0.026 1
1 183 . 13 1 1 A 16 16 PRO CB C 13 31.771 33.135 -1.364 1
1 191 . 13 1 1 A 16 16 PRO C C 13 176.689 176.065 0.624 1
1 192 . 13 1 1 A 17 17 GLY N N 14 109.540 108.135 1.405 1
1 193 . 13 1 1 A 17 17 GLY H H 14 8.423 8.259 0.164 1
1 194 . 13 1 1 A 17 17 GLY CA C 14 44.219 44.212 0.007 1
1 195 . 13 1 1 A 17 17 GLY HA2 H 14 4.010 4.138 -0.128 1
1 196 . 13 1 1 A 17 17 GLY HA3 H 14 4.159 4.139 0.020 1
1 198 . 13 1 1 A 18 18 PRO CA C 15 62.843 62.697 0.146 1
1 199 . 13 1 1 A 18 18 PRO HA H 15 4.412 4.655 -0.243 1
1 200 . 13 1 1 A 18 18 PRO CB C 15 31.667 32.663 -0.996 1
1 208 . 13 1 1 A 18 18 PRO C C 15 176.447 176.528 -0.081 1
1 209 . 13 1 1 A 19 19 ASP N N 16 119.197 122.913 -3.716 1
1 210 . 13 1 1 A 19 19 ASP H H 16 8.517 8.873 -0.356 1
1 211 . 13 1 1 A 19 19 ASP CA C 16 53.940 54.217 -0.277 1
1 212 . 13 1 1 A 19 19 ASP HA H 16 4.559 4.915 -0.356 1
1 213 . 13 1 1 A 19 19 ASP CB C 16 40.180 41.119 -0.939 1
1 216 . 13 1 1 A 19 19 ASP C C 16 175.764 176.760 -0.996 1
1 217 . 13 1 1 A 20 20 ARG N N 17 120.435 119.840 0.595 1
1 218 . 13 1 1 A 20 20 ARG H H 17 8.201 8.215 -0.014 1
1 219 . 13 1 1 A 20 20 ARG CA C 17 55.216 56.912 -1.696 1
1 220 . 13 1 1 A 20 20 ARG HA H 17 4.356 4.601 -0.245 1
1 221 . 13 1 1 A 20 20 ARG CB C 17 30.184 32.599 -2.415 1
1 237 . 13 1 1 A 20 20 ARG C C 17 175.724 176.829 -1.105 1
1 238 . 13 1 1 A 21 21 GLU N N 18 122.477 119.803 2.674 1
1 239 . 13 1 1 A 21 21 GLU H H 18 8.371 7.608 0.763 1
1 240 . 13 1 1 A 21 21 GLU CA C 18 53.658 54.736 -1.078 1
1 241 . 13 1 1 A 21 21 GLU HA H 18 4.657 4.458 0.199 1
1 242 . 13 1 1 A 21 21 GLU CB C 18 28.984 29.790 -0.806 1
1 249 . 13 1 1 A 22 22 PRO CA C 19 62.442 62.580 -0.138 1
1 250 . 13 1 1 A 22 22 PRO HA H 19 4.516 4.649 -0.133 1
1 251 . 13 1 1 A 22 22 PRO CB C 19 31.903 32.434 -0.531 1
1 259 . 13 1 1 A 22 22 PRO C C 19 176.323 175.382 0.941 1
1 260 . 13 1 1 A 23 23 THR N N 20 112.531 115.330 -2.799 1
1 261 . 13 1 1 A 23 23 THR H H 20 7.946 8.501 -0.555 1
1 262 . 13 1 1 A 23 23 THR CA C 20 60.521 60.908 -0.387 1
1 263 . 13 1 1 A 23 23 THR HA H 20 4.373 4.654 -0.281 1
1 264 . 13 1 1 A 23 23 THR CB C 20 70.238 71.225 -0.987 1
1 270 . 13 1 1 A 23 23 THR C C 20 174.678 175.183 -0.505 1
1 271 . 13 1 1 A 24 24 ASN N N 21 120.631 124.325 -3.694 1
1 272 . 13 1 1 A 24 24 ASN H H 21 8.958 9.195 -0.237 1
1 273 . 13 1 1 A 24 24 ASN CA C 21 54.854 57.237 -2.383 1
1 274 . 13 1 1 A 24 24 ASN HA H 21 4.467 4.329 0.138 1
1 275 . 13 1 1 A 24 24 ASN CB C 21 37.535 37.971 -0.436 1
1 281 . 13 1 1 A 24 24 ASN C C 21 176.397 177.187 -0.790 1
1 282 . 13 1 1 A 25 25 GLU N N 22 120.237 118.992 1.245 1
1 283 . 13 1 1 A 25 25 GLU H H 22 8.644 8.350 0.294 1
1 284 . 13 1 1 A 25 25 GLU CA C 22 59.195 59.098 0.097 1
1 285 . 13 1 1 A 25 25 GLU HA H 22 4.076 4.071 0.005 1
1 286 . 13 1 1 A 25 25 GLU CB C 22 28.567 29.455 -0.888 1
1 292 . 13 1 1 A 25 25 GLU C C 22 177.942 178.673 -0.731 1
1 293 . 13 1 1 A 26 26 LEU N N 23 122.376 121.423 0.953 1
1 294 . 13 1 1 A 26 26 LEU H H 23 8.109 8.121 -0.012 1
1 295 . 13 1 1 A 26 26 LEU CA C 23 56.940 58.131 -1.191 1
1 296 . 13 1 1 A 26 26 LEU HA H 23 4.247 4.000 0.247 1
1 297 . 13 1 1 A 26 26 LEU CB C 23 40.425 41.811 -1.386 1
1 310 . 13 1 1 A 26 26 LEU C C 23 178.298 178.248 0.050 1
1 311 . 13 1 1 A 27 27 ARG N N 24 118.606 118.153 0.453 1
1 312 . 13 1 1 A 27 27 ARG H H 24 8.225 8.286 -0.061 1
1 313 . 13 1 1 A 27 27 ARG CA C 24 59.892 58.799 1.093 1
1 314 . 13 1 1 A 27 27 ARG HA H 24 3.875 4.030 -0.155 1
1 315 . 13 1 1 A 27 27 ARG CB C 24 28.853 29.817 -0.964 1
1 331 . 13 1 1 A 27 27 ARG C C 24 178.374 178.533 -0.159 1
1 332 . 13 1 1 A 28 28 ASN N N 25 117.812 118.708 -0.896 1
1 333 . 13 1 1 A 28 28 ASN H H 25 8.146 8.360 -0.214 1
1 334 . 13 1 1 A 28 28 ASN CA C 25 55.753 56.408 -0.655 1
1 335 . 13 1 1 A 28 28 ASN HA H 25 4.452 4.446 0.006 1
1 336 . 13 1 1 A 28 28 ASN CB C 25 37.388 38.921 -1.533 1
1 342 . 13 1 1 A 28 28 ASN C C 25 177.043 178.035 -0.992 1
1 343 . 13 1 1 A 29 29 GLU N N 26 121.177 117.819 3.358 1
1 344 . 13 1 1 A 29 29 GLU H H 26 8.247 8.605 -0.358 1
1 345 . 13 1 1 A 29 29 GLU CA C 26 58.897 58.952 -0.055 1
1 346 . 13 1 1 A 29 29 GLU HA H 26 4.075 4.106 -0.031 1
1 347 . 13 1 1 A 29 29 GLU CB C 26 29.202 29.417 -0.215 1
1 353 . 13 1 1 A 29 29 GLU C C 26 180.215 179.767 0.448 1
1 354 . 13 1 1 A 30 30 VAL N N 27 123.509 121.308 2.201 1
1 355 . 13 1 1 A 30 30 VAL H H 27 8.793 7.814 0.979 1
1 356 . 13 1 1 A 30 30 VAL CA C 27 68.051 66.545 1.506 1
1 357 . 13 1 1 A 30 30 VAL HA H 27 3.413 3.829 -0.416 1
1 358 . 13 1 1 A 30 30 VAL CB C 27 31.196 31.683 -0.487 1
1 368 . 13 1 1 A 30 30 VAL C C 27 176.589 177.842 -1.253 1
1 369 . 13 1 1 A 31 31 GLU N N 28 119.159 118.596 0.563 1
1 370 . 13 1 1 A 31 31 GLU H H 28 8.042 8.503 -0.461 1
1 371 . 13 1 1 A 31 31 GLU CA C 28 59.379 59.884 -0.505 1
1 372 . 13 1 1 A 31 31 GLU HA H 28 3.946 3.937 0.009 1
1 373 . 13 1 1 A 31 31 GLU CB C 28 28.603 29.331 -0.728 1
1 379 . 13 1 1 A 31 31 GLU C C 28 179.282 179.218 0.064 1
1 380 . 13 1 1 A 32 32 GLU N N 29 118.871 120.680 -1.809 1
1 381 . 13 1 1 A 32 32 GLU H H 29 8.550 8.121 0.429 1
1 382 . 13 1 1 A 32 32 GLU CA C 29 58.770 59.277 -0.507 1
1 383 . 13 1 1 A 32 32 GLU HA H 29 4.056 4.068 -0.012 1
1 384 . 13 1 1 A 32 32 GLU CB C 29 29.214 29.743 -0.529 1
1 390 . 13 1 1 A 32 32 GLU C C 29 178.791 178.376 0.415 1
1 391 . 13 1 1 A 33 33 THR N N 30 117.719 114.061 3.658 1
1 392 . 13 1 1 A 33 33 THR H H 30 8.205 8.216 -0.011 1
1 393 . 13 1 1 A 33 33 THR CA C 30 67.465 65.727 1.738 1
1 394 . 13 1 1 A 33 33 THR HA H 30 3.816 4.031 -0.215 1
1 395 . 13 1 1 A 33 33 THR CB C 30 66.888 68.278 -1.390 1
1 401 . 13 1 1 A 33 33 THR C C 30 175.681 177.619 -1.938 1
1 402 . 13 1 1 A 34 34 ILE N N 31 123.925 123.307 0.618 1
1 403 . 13 1 1 A 34 34 ILE H H 31 8.698 8.034 0.664 1
1 404 . 13 1 1 A 34 34 ILE CA C 31 66.438 64.706 1.732 1
1 405 . 13 1 1 A 34 34 ILE HA H 31 3.442 3.664 -0.222 1
1 406 . 13 1 1 A 34 34 ILE CB C 31 37.311 37.803 -0.492 1
1 416 . 13 1 1 A 34 34 ILE C C 31 176.731 178.252 -1.521 1
1 417 . 13 1 1 A 35 35 THR N N 32 116.478 118.188 -1.710 1
1 418 . 13 1 1 A 35 35 THR H H 32 7.956 7.971 -0.015 1
1 419 . 13 1 1 A 35 35 THR CA C 32 66.447 66.973 -0.526 1
1 420 . 13 1 1 A 35 35 THR HA H 32 3.929 3.949 -0.020 1
1 421 . 13 1 1 A 35 35 THR CB C 32 67.964 67.987 -0.023 1
1 427 . 13 1 1 A 35 35 THR C C 32 176.226 176.257 -0.031 1
1 428 . 13 1 1 A 36 36 LEU N N 33 119.834 120.019 -0.185 1
1 429 . 13 1 1 A 36 36 LEU H H 33 7.663 7.881 -0.218 1
1 430 . 13 1 1 A 36 36 LEU CA C 33 57.274 57.433 -0.159 1
1 431 . 13 1 1 A 36 36 LEU HA H 33 4.075 4.015 0.060 1
1 432 . 13 1 1 A 36 36 LEU CB C 33 42.188 41.785 0.403 1
1 445 . 13 1 1 A 36 36 LEU C C 33 179.412 179.057 0.355 1
1 446 . 13 1 1 A 37 37 MET N N 34 119.993 118.362 1.631 1
1 447 . 13 1 1 A 37 37 MET H H 34 8.509 8.559 -0.050 1
1 448 . 13 1 1 A 37 37 MET CA C 34 57.865 58.743 -0.878 1
1 449 . 13 1 1 A 37 37 MET HA H 34 3.865 4.100 -0.235 1
1 450 . 13 1 1 A 37 37 MET CB C 34 28.735 32.387 -3.652 1
1 460 . 13 1 1 A 37 37 MET C C 34 178.772 178.398 0.374 1
1 461 . 13 1 1 A 38 38 GLU N N 35 120.011 120.764 -0.753 1
1 462 . 13 1 1 A 38 38 GLU H H 35 8.321 8.168 0.153 1
1 463 . 13 1 1 A 38 38 GLU CA C 35 58.442 58.970 -0.528 1
1 464 . 13 1 1 A 38 38 GLU HA H 35 3.928 4.088 -0.160 1
1 465 . 13 1 1 A 38 38 GLU CB C 35 28.943 29.674 -0.731 1
1 471 . 13 1 1 A 38 38 GLU C C 35 176.040 177.938 -1.898 1
1 472 . 13 1 1 A 39 39 LEU N N 36 118.349 117.837 0.512 1
1 473 . 13 1 1 A 39 39 LEU H H 36 7.441 7.258 0.183 1
1 474 . 13 1 1 A 39 39 LEU CA C 36 54.614 53.985 0.629 1
1 475 . 13 1 1 A 39 39 LEU HA H 36 4.393 4.489 -0.096 1
1 476 . 13 1 1 A 39 39 LEU CB C 36 42.210 41.956 0.254 1
1 489 . 13 1 1 A 39 39 LEU C C 36 178.113 176.233 1.880 1
1 490 . 13 1 1 A 40 40 LEU N N 37 118.362 122.022 -3.660 1
1 491 . 13 1 1 A 40 40 LEU H H 37 7.464 7.431 0.033 1
1 492 . 13 1 1 A 40 40 LEU CA C 37 54.659 55.184 -0.525 1
1 493 . 13 1 1 A 40 40 LEU HA H 37 4.400 4.528 -0.128 1
1 494 . 13 1 1 A 40 40 LEU CB C 37 40.993 42.205 -1.212 1
1 507 . 13 1 1 A 40 40 LEU C C 37 177.827 176.240 1.587 1
1 508 . 13 1 1 A 41 41 LYS N N 38 120.851 119.193 1.658 1
1 509 . 13 1 1 A 41 41 LYS H H 38 9.254 8.396 0.858 1
1 510 . 13 1 1 A 41 41 LYS CA C 38 54.727 54.250 0.477 1
1 511 . 13 1 1 A 41 41 LYS HA H 38 4.572 4.881 -0.309 1
1 512 . 13 1 1 A 41 41 LYS CB C 38 33.768 36.053 -2.285 1
1 524 . 13 1 1 A 41 41 LYS C C 38 177.911 177.516 0.395 1
1 525 . 13 1 1 A 42 42 VAL N N 39 122.215 118.998 3.217 1
1 526 . 13 1 1 A 42 42 VAL H H 39 9.039 8.739 0.300 1
1 527 . 13 1 1 A 42 42 VAL CA C 39 67.408 65.397 2.011 1
1 528 . 13 1 1 A 42 42 VAL HA H 39 3.699 3.719 -0.020 1
1 529 . 13 1 1 A 42 42 VAL CB C 39 31.056 31.702 -0.646 1
1 539 . 13 1 1 A 42 42 VAL C C 39 176.560 177.603 -1.043 1
1 540 . 13 1 1 A 43 43 SER N N 40 114.377 117.067 -2.690 1
1 541 . 13 1 1 A 43 43 SER H H 40 8.686 8.167 0.519 1
1 542 . 13 1 1 A 43 43 SER CA C 40 61.144 61.620 -0.476 1
1 543 . 13 1 1 A 43 43 SER HA H 40 3.933 4.014 -0.081 1
1 544 . 13 1 1 A 43 43 SER CB C 40 60.933 63.022 -2.089 1
1 547 . 13 1 1 A 43 43 SER C C 40 175.910 177.246 -1.336 1
1 548 . 13 1 1 A 44 44 GLU N N 41 122.833 122.645 0.188 1
1 549 . 13 1 1 A 44 44 GLU H H 41 6.661 7.922 -1.261 1
1 550 . 13 1 1 A 44 44 GLU CA C 41 57.315 59.375 -2.060 1
1 551 . 13 1 1 A 44 44 GLU HA H 41 4.363 4.027 0.336 1
1 552 . 13 1 1 A 44 44 GLU CB C 41 30.399 29.480 0.919 1
1 558 . 13 1 1 A 44 44 GLU C C 41 178.185 179.367 -1.182 1
1 559 . 13 1 1 A 45 45 LEU N N 42 119.110 120.611 -1.501 1
1 560 . 13 1 1 A 45 45 LEU H H 42 8.393 8.339 0.054 1
1 561 . 13 1 1 A 45 45 LEU CA C 42 57.359 57.678 -0.319 1
1 562 . 13 1 1 A 45 45 LEU HA H 42 3.918 3.888 0.030 1
1 563 . 13 1 1 A 45 45 LEU CB C 42 42.476 41.581 0.895 1
1 576 . 13 1 1 A 45 45 LEU C C 42 179.735 178.663 1.072 1
1 577 . 13 1 1 A 46 46 LYS N N 43 118.025 119.808 -1.783 1
1 578 . 13 1 1 A 46 46 LYS H H 43 8.596 8.245 0.351 1
1 579 . 13 1 1 A 46 46 LYS CA C 43 60.844 60.082 0.762 1
1 580 . 13 1 1 A 46 46 LYS HA H 43 3.816 3.938 -0.122 1
1 581 . 13 1 1 A 46 46 LYS CB C 43 31.918 32.183 -0.265 1
1 593 . 13 1 1 A 46 46 LYS C C 43 177.672 178.305 -0.633 1
1 594 . 13 1 1 A 47 47 ASP N N 44 119.267 119.704 -0.437 1
1 595 . 13 1 1 A 47 47 ASP H H 44 7.448 8.189 -0.741 1
1 596 . 13 1 1 A 47 47 ASP CA C 44 57.422 57.398 0.024 1
1 597 . 13 1 1 A 47 47 ASP HA H 44 4.555 4.366 0.189 1
1 598 . 13 1 1 A 47 47 ASP CB C 44 39.264 40.787 -1.523 1
1 601 . 13 1 1 A 47 47 ASP C C 44 179.284 178.940 0.344 1
1 602 . 13 1 1 A 48 48 ILE N N 45 120.817 119.299 1.518 1
1 603 . 13 1 1 A 48 48 ILE H H 45 7.871 8.125 -0.254 1
1 604 . 13 1 1 A 48 48 ILE CA C 45 64.604 65.384 -0.780 1
1 605 . 13 1 1 A 48 48 ILE HA H 45 3.653 3.552 0.101 1
1 606 . 13 1 1 A 48 48 ILE CB C 45 36.293 38.203 -1.910 1
1 619 . 13 1 1 A 48 48 ILE C C 45 177.180 177.618 -0.438 1
1 620 . 13 1 1 A 49 49 CYS N N 46 117.775 119.600 -1.825 1
1 621 . 13 1 1 A 49 49 CYS H H 46 8.543 8.606 -0.063 1
1 622 . 13 1 1 A 49 49 CYS CA C 46 64.971 63.413 1.558 1
1 623 . 13 1 1 A 49 49 CYS HA H 46 3.852 3.961 -0.109 1
1 624 . 13 1 1 A 49 49 CYS CB C 46 25.872 26.721 -0.849 1
1 627 . 13 1 1 A 49 49 CYS C C 46 176.288 177.164 -0.876 1
1 628 . 13 1 1 A 50 50 ARG N N 47 118.702 122.451 -3.749 1
1 629 . 13 1 1 A 50 50 ARG H H 47 8.626 7.967 0.659 1
1 630 . 13 1 1 A 50 50 ARG CA C 47 58.983 59.191 -0.208 1
1 631 . 13 1 1 A 50 50 ARG HA H 47 4.058 4.105 -0.047 1
1 632 . 13 1 1 A 50 50 ARG CB C 47 29.512 30.256 -0.744 1
1 648 . 13 1 1 A 50 50 ARG C C 47 179.270 177.959 1.311 1
1 649 . 13 1 1 A 51 51 SER N N 48 114.502 114.341 0.161 1
1 650 . 13 1 1 A 51 51 SER H H 48 7.514 8.019 -0.505 1
1 651 . 13 1 1 A 51 51 SER CA C 48 61.745 61.809 -0.064 1
1 652 . 13 1 1 A 51 51 SER HA H 48 4.308 4.206 0.102 1
1 653 . 13 1 1 A 51 51 SER CB C 48 62.780 63.351 -0.571 1
1 656 . 13 1 1 A 51 51 SER C C 48 176.764 176.777 -0.013 1
1 657 . 13 1 1 A 52 52 VAL N N 49 113.832 120.647 -6.815 1
1 658 . 13 1 1 A 52 52 VAL H H 49 7.511 8.058 -0.547 1
1 659 . 13 1 1 A 52 52 VAL CA C 49 60.751 63.117 -2.366 1
1 660 . 13 1 1 A 52 52 VAL HA H 49 3.760 3.717 0.043 1
1 661 . 13 1 1 A 52 52 VAL CB C 49 30.719 31.408 -0.689 1
1 671 . 13 1 1 A 52 52 VAL C C 49 173.462 175.012 -1.550 1
1 672 . 13 1 1 A 53 53 SER N N 50 112.698 115.040 -2.342 1
1 673 . 13 1 1 A 53 53 SER H H 50 7.653 7.978 -0.325 1
1 674 . 13 1 1 A 53 53 SER CA C 50 59.025 59.719 -0.694 1
1 675 . 13 1 1 A 53 53 SER HA H 50 3.911 4.146 -0.235 1
1 676 . 13 1 1 A 53 53 SER CB C 50 60.895 61.321 -0.426 1
1 679 . 13 1 1 A 53 53 SER C C 50 174.065 173.481 0.584 1
1 680 . 13 1 1 A 54 54 PHE N N 51 120.132 120.285 -0.153 1
1 681 . 13 1 1 A 54 54 PHE H H 51 8.332 7.898 0.434 1
1 682 . 13 1 1 A 54 54 PHE CA C 51 51.743 56.765 -5.022 1
1 683 . 13 1 1 A 54 54 PHE HA H 51 5.171 4.514 0.657 1
1 684 . 13 1 1 A 54 54 PHE CB C 51 37.762 38.744 -0.982 1
1 696 . 13 1 1 A 55 55 PRO CA C 52 62.176 62.660 -0.484 1
1 697 . 13 1 1 A 55 55 PRO HA H 52 4.417 4.687 -0.270 1
1 698 . 13 1 1 A 55 55 PRO CB C 52 31.347 31.642 -0.295 1
1 706 . 13 1 1 A 55 55 PRO C C 52 176.296 176.920 -0.624 1
1 707 . 13 1 1 A 56 56 VAL N N 53 109.933 125.218 -15.285 1
1 708 . 13 1 1 A 56 56 VAL H H 53 7.986 8.892 -0.906 1
1 709 . 13 1 1 A 56 56 VAL CA C 53 59.863 62.226 -2.363 1
1 710 . 13 1 1 A 56 56 VAL HA H 53 4.404 4.444 -0.040 1
1 711 . 13 1 1 A 56 56 VAL CB C 53 31.483 32.127 -0.644 1
1 721 . 13 1 1 A 56 56 VAL C C 53 175.074 176.576 -1.502 1
1 722 . 13 1 1 A 57 57 SER N N 54 114.614 117.757 -3.143 1
1 723 . 13 1 1 A 57 57 SER H H 54 7.304 7.958 -0.654 1
1 724 . 13 1 1 A 57 57 SER CA C 54 57.295 60.452 -3.157 1
1 725 . 13 1 1 A 57 57 SER HA H 54 4.363 4.442 -0.079 1
1 726 . 13 1 1 A 57 57 SER CB C 54 63.351 63.718 -0.367 1
1 729 . 13 1 1 A 57 57 SER C C 54 174.225 175.339 -1.114 1
1 730 . 13 1 1 A 58 58 GLY N N 55 110.300 109.212 1.088 1
1 731 . 13 1 1 A 58 58 GLY H H 55 8.545 7.800 0.745 1
1 732 . 13 1 1 A 58 58 GLY CA C 55 43.806 44.311 -0.505 1
1 733 . 13 1 1 A 58 58 GLY HA2 H 55 4.009 4.022 -0.013 1
1 734 . 13 1 1 A 58 58 GLY HA3 H 55 3.715 4.029 -0.314 1
1 735 . 13 1 1 A 58 58 GLY C C 55 172.483 173.127 -0.644 1
1 736 . 13 1 1 A 59 59 ARG N N 56 116.392 120.215 -3.823 1
1 737 . 13 1 1 A 59 59 ARG H H 56 7.913 8.658 -0.745 1
1 738 . 13 1 1 A 59 59 ARG CA C 56 54.769 54.061 0.708 1
1 739 . 13 1 1 A 59 59 ARG HA H 56 4.371 4.887 -0.516 1
1 740 . 13 1 1 A 59 59 ARG CB C 56 30.447 32.304 -1.857 1
1 752 . 13 1 1 A 59 59 ARG C C 56 176.019 176.330 -0.311 1
1 753 . 13 1 1 A 60 60 LYS N N 57 122.009 117.425 4.584 1
1 754 . 13 1 1 A 60 60 LYS H H 57 8.811 8.921 -0.110 1
1 755 . 13 1 1 A 60 60 LYS CA C 57 61.236 59.171 2.065 1
1 756 . 13 1 1 A 60 60 LYS HA H 57 3.606 4.043 -0.437 1
1 757 . 13 1 1 A 60 60 LYS CB C 57 32.419 32.093 0.326 1
1 769 . 13 1 1 A 60 60 LYS C C 57 176.824 178.907 -2.083 1
1 770 . 13 1 1 A 61 61 ALA N N 58 116.880 121.778 -4.898 1
1 771 . 13 1 1 A 61 61 ALA H H 58 8.794 7.899 0.895 1
1 772 . 13 1 1 A 61 61 ALA CA C 58 54.617 55.145 -0.528 1
1 773 . 13 1 1 A 61 61 ALA HA H 58 4.129 4.320 -0.191 1
1 777 . 13 1 1 A 61 61 ALA CB C 58 18.103 18.430 -0.327 1
1 778 . 13 1 1 A 61 61 ALA C C 58 179.574 179.822 -0.248 1
1 779 . 13 1 1 A 62 62 VAL N N 59 117.408 118.376 -0.968 1
1 780 . 13 1 1 A 62 62 VAL H H 59 7.047 7.962 -0.915 1
1 781 . 13 1 1 A 62 62 VAL CA C 59 64.864 67.026 -2.162 1
1 782 . 13 1 1 A 62 62 VAL HA H 59 3.701 3.521 0.180 1
1 783 . 13 1 1 A 62 62 VAL CB C 59 31.301 31.525 -0.224 1
1 793 . 13 1 1 A 62 62 VAL C C 59 178.103 178.163 -0.060 1
1 794 . 13 1 1 A 63 63 LEU N N 60 119.573 119.531 0.042 1
1 795 . 13 1 1 A 63 63 LEU H H 60 7.585 8.262 -0.677 1
1 796 . 13 1 1 A 63 63 LEU CA C 60 57.571 58.299 -0.728 1
1 797 . 13 1 1 A 63 63 LEU HA H 60 3.923 3.952 -0.029 1
1 798 . 13 1 1 A 63 63 LEU CB C 60 41.711 41.634 0.077 1
1 810 . 13 1 1 A 63 63 LEU C C 60 178.692 179.077 -0.385 1
1 811 . 13 1 1 A 64 64 GLN N N 61 114.206 117.225 -3.019 1
1 812 . 13 1 1 A 64 64 GLN H H 61 8.373 8.532 -0.159 1
1 813 . 13 1 1 A 64 64 GLN CA C 61 58.039 58.469 -0.430 1
1 814 . 13 1 1 A 64 64 GLN HA H 61 4.090 4.053 0.037 1
1 815 . 13 1 1 A 64 64 GLN CB C 61 28.670 28.388 0.282 1
1 821 . 13 1 1 A 64 64 GLN C C 61 178.207 177.344 0.863 1
1 822 . 13 1 1 A 65 65 ASP N N 62 118.671 120.450 -1.779 1
1 823 . 13 1 1 A 65 65 ASP H H 62 7.973 7.990 -0.017 1
1 824 . 13 1 1 A 65 65 ASP CA C 62 56.961 57.424 -0.463 1
1 825 . 13 1 1 A 65 65 ASP HA H 62 4.353 4.465 -0.112 1
1 826 . 13 1 1 A 65 65 ASP CB C 62 39.856 40.447 -0.591 1
1 829 . 13 1 1 A 65 65 ASP C C 62 178.113 179.034 -0.921 1
1 830 . 13 1 1 A 66 66 LEU N N 63 119.708 120.753 -1.045 1
1 831 . 13 1 1 A 66 66 LEU H H 63 7.970 8.244 -0.274 1
1 832 . 13 1 1 A 66 66 LEU CA C 63 57.549 58.108 -0.559 1
1 833 . 13 1 1 A 66 66 LEU HA H 63 3.838 4.075 -0.237 1
1 834 . 13 1 1 A 66 66 LEU CB C 63 41.235 42.161 -0.926 1
1 847 . 13 1 1 A 66 66 LEU C C 63 180.041 179.363 0.678 1
1 848 . 13 1 1 A 67 67 ILE N N 64 118.309 120.029 -1.720 1
1 849 . 13 1 1 A 67 67 ILE H H 64 7.555 8.120 -0.565 1
1 850 . 13 1 1 A 67 67 ILE CA C 64 63.895 64.476 -0.581 1
1 851 . 13 1 1 A 67 67 ILE HA H 64 3.794 3.726 0.068 1
1 852 . 13 1 1 A 67 67 ILE CB C 64 37.181 37.261 -0.080 1
1 865 . 13 1 1 A 67 67 ILE C C 64 176.949 177.969 -1.020 1
1 866 . 13 1 1 A 68 68 ARG N N 65 122.359 121.315 1.044 1
1 867 . 13 1 1 A 68 68 ARG H H 65 9.489 8.490 0.999 1
1 868 . 13 1 1 A 68 68 ARG CA C 65 60.488 60.199 0.289 1
1 869 . 13 1 1 A 68 68 ARG HA H 65 3.692 3.839 -0.147 1
1 870 . 13 1 1 A 68 68 ARG CB C 65 29.897 30.379 -0.482 1
1 880 . 13 1 1 A 68 68 ARG C C 65 177.728 178.937 -1.209 1
1 881 . 13 1 1 A 69 69 ASN N N 66 116.248 116.574 -0.326 1
1 882 . 13 1 1 A 69 69 ASN H H 66 8.546 8.443 0.103 1
1 883 . 13 1 1 A 69 69 ASN CA C 66 55.945 56.250 -0.305 1
1 884 . 13 1 1 A 69 69 ASN HA H 66 4.391 4.422 -0.031 1
1 885 . 13 1 1 A 69 69 ASN CB C 66 37.828 37.955 -0.127 1
1 891 . 13 1 1 A 69 69 ASN C C 66 176.520 178.152 -1.632 1
1 892 . 13 1 1 A 70 70 PHE N N 67 121.134 121.766 -0.632 1
1 893 . 13 1 1 A 70 70 PHE H H 67 7.693 8.126 -0.433 1
1 894 . 13 1 1 A 70 70 PHE CA C 67 60.170 60.925 -0.755 1
1 895 . 13 1 1 A 70 70 PHE HA H 67 4.535 4.224 0.311 1
1 896 . 13 1 1 A 70 70 PHE CB C 67 39.838 39.057 0.781 1
1 902 . 13 1 1 A 70 70 PHE C C 67 177.756 178.237 -0.481 1
1 903 . 13 1 1 A 71 71 LEU N N 68 117.959 119.606 -1.647 1
1 904 . 13 1 1 A 71 71 LEU H H 68 8.336 8.550 -0.214 1
1 905 . 13 1 1 A 71 71 LEU CA C 68 57.468 57.883 -0.415 1
1 906 . 13 1 1 A 71 71 LEU HA H 68 3.828 3.919 -0.091 1
1 907 . 13 1 1 A 71 71 LEU CB C 68 42.156 41.669 0.487 1
1 919 . 13 1 1 A 71 71 LEU C C 68 178.037 179.172 -1.135 1
1 920 . 13 1 1 A 72 72 GLN N N 69 117.479 117.248 0.231 1
1 921 . 13 1 1 A 72 72 GLN H H 69 8.802 8.118 0.684 1
1 922 . 13 1 1 A 72 72 GLN CA C 69 58.632 58.628 0.004 1
1 923 . 13 1 1 A 72 72 GLN HA H 69 3.906 4.189 -0.283 1
1 924 . 13 1 1 A 72 72 GLN CB C 69 27.010 28.262 -1.252 1
1 933 . 13 1 1 A 72 72 GLN C C 69 179.337 177.821 1.516 1
1 934 . 13 1 1 A 73 73 ASN N N 70 117.551 117.500 0.051 1
1 935 . 13 1 1 A 73 73 ASN H H 70 8.124 8.117 0.007 1
1 936 . 13 1 1 A 73 73 ASN CA C 70 54.051 55.869 -1.818 1
1 937 . 13 1 1 A 73 73 ASN HA H 70 4.602 4.498 0.104 1
1 938 . 13 1 1 A 73 73 ASN CB C 70 37.810 37.983 -0.173 1
1 944 . 13 1 1 A 73 73 ASN C C 70 175.490 177.697 -2.207 1
1 945 . 13 1 1 A 74 74 ALA N N 71 120.962 120.711 0.251 1
1 946 . 13 1 1 A 74 74 ALA H H 71 7.787 7.796 -0.009 1
1 947 . 13 1 1 A 74 74 ALA CA C 71 53.143 54.200 -1.057 1
1 948 . 13 1 1 A 74 74 ALA HA H 71 4.193 4.188 0.005 1
1 952 . 13 1 1 A 74 74 ALA CB C 71 19.064 18.404 0.660 1
1 953 . 13 1 1 A 74 74 ALA C C 71 176.255 178.241 -1.986 1
1 954 . 13 1 1 A 75 75 LEU N N 72 112.822 114.968 -2.146 1
1 955 . 13 1 1 A 75 75 LEU H H 72 7.381 7.730 -0.349 1
1 956 . 13 1 1 A 75 75 LEU CA C 72 52.987 54.289 -1.302 1
1 957 . 13 1 1 A 75 75 LEU HA H 72 4.305 4.499 -0.194 1
1 958 . 13 1 1 A 75 75 LEU CB C 72 41.490 42.225 -0.735 1
1 971 . 13 1 1 A 75 75 LEU C C 72 175.867 176.112 -0.245 1
1 972 . 13 1 1 A 76 76 VAL N N 73 120.671 120.706 -0.035 1
1 973 . 13 1 1 A 76 76 VAL H H 73 6.797 7.286 -0.489 1
1 974 . 13 1 1 A 76 76 VAL CA C 73 62.994 62.353 0.641 1
1 975 . 13 1 1 A 76 76 VAL HA H 73 3.707 3.998 -0.291 1
1 976 . 13 1 1 A 76 76 VAL CB C 73 32.014 32.420 -0.406 1
1 986 . 13 1 1 A 76 76 VAL C C 73 176.144 175.857 0.287 1
1 987 . 13 1 1 A 77 77 VAL N N 74 128.303 126.105 2.198 1
1 988 . 13 1 1 A 77 77 VAL H H 74 8.407 8.619 -0.212 1
1 989 . 13 1 1 A 77 77 VAL CA C 74 64.673 65.170 -0.497 1
1 990 . 13 1 1 A 77 77 VAL HA H 74 3.651 3.569 0.082 1
1 991 . 13 1 1 A 77 77 VAL CB C 74 30.789 31.223 -0.434 1
1 1001 . 13 1 1 A 77 77 VAL C C 74 176.911 177.283 -0.372 1
1 1002 . 13 1 1 A 78 78 GLY N N 75 116.087 115.422 0.665 1
1 1003 . 13 1 1 A 78 78 GLY H H 75 8.827 8.884 -0.057 1
1 1004 . 13 1 1 A 78 78 GLY CA C 75 45.004 46.137 -1.133 1
1 1005 . 13 1 1 A 78 78 GLY HA2 H 75 4.236 3.981 0.255 1
1 1006 . 13 1 1 A 78 78 GLY HA3 H 75 3.738 3.982 -0.244 1
1 1007 . 13 1 1 A 78 78 GLY C C 75 173.779 173.799 -0.020 1
1 1008 . 13 1 1 A 79 79 LYS N N 76 121.612 119.481 2.131 1
1 1009 . 13 1 1 A 79 79 LYS H H 76 8.140 7.393 0.747 1
1 1010 . 13 1 1 A 79 79 LYS CA C 76 54.078 57.673 -3.595 1
1 1011 . 13 1 1 A 79 79 LYS HA H 76 4.588 4.626 -0.038 1
1 1012 . 13 1 1 A 79 79 LYS CB C 76 32.708 34.724 -2.016 1
1 1024 . 13 1 1 A 79 79 LYS C C 76 175.177 176.024 -0.847 1
1 1025 . 13 1 1 A 80 80 SER N N 77 117.166 114.340 2.826 1
1 1026 . 13 1 1 A 80 80 SER H H 77 8.241 7.948 0.293 1
1 1027 . 13 1 1 A 80 80 SER CA C 77 59.173 58.684 0.489 1
1 1028 . 13 1 1 A 80 80 SER HA H 77 4.356 4.776 -0.420 1
1 1029 . 13 1 1 A 80 80 SER CB C 77 63.288 62.507 0.781 1
1 1032 . 13 1 1 A 80 80 SER C C 77 174.793 172.384 2.409 1
1 1033 . 13 1 1 A 81 81 ASP N N 78 118.775 123.628 -4.853 1
1 1034 . 13 1 1 A 81 81 ASP H H 78 8.506 8.953 -0.447 1
1 1035 . 13 1 1 A 81 81 ASP CA C 78 50.069 51.877 -1.808 1
1 1036 . 13 1 1 A 81 81 ASP HA H 78 5.423 4.883 0.540 1
1 1037 . 13 1 1 A 81 81 ASP CB C 78 41.498 40.891 0.607 1
1 1041 . 13 1 1 A 82 82 PRO CA C 79 63.656 64.243 -0.587 1
1 1042 . 13 1 1 A 82 82 PRO HA H 79 4.271 4.339 -0.068 1
1 1043 . 13 1 1 A 82 82 PRO CB C 79 31.303 31.797 -0.494 1
1 1051 . 13 1 1 A 82 82 PRO C C 79 178.645 178.140 0.505 1
1 1052 . 13 1 1 A 83 83 TYR N N 80 117.360 117.297 0.063 1
1 1053 . 13 1 1 A 83 83 TYR H H 80 7.561 7.352 0.209 1
1 1054 . 13 1 1 A 83 83 TYR CA C 80 59.635 61.395 -1.760 1
1 1055 . 13 1 1 A 83 83 TYR HA H 80 4.163 4.350 -0.187 1
1 1056 . 13 1 1 A 83 83 TYR CB C 80 35.602 38.040 -2.438 1
1 1065 . 13 1 1 A 83 83 TYR C C 80 176.904 178.322 -1.418 1
1 1066 . 13 1 1 A 84 84 ARG N N 81 120.833 118.630 2.203 1
1 1067 . 13 1 1 A 84 84 ARG H H 81 7.898 8.174 -0.276 1
1 1068 . 13 1 1 A 84 84 ARG CA C 81 58.332 59.004 -0.672 1
1 1069 . 13 1 1 A 84 84 ARG HA H 81 4.615 3.904 0.711 1
1 1070 . 13 1 1 A 84 84 ARG CB C 81 28.242 29.680 -1.438 1
1 1071 . 13 1 1 A 84 84 ARG C C 81 176.940 179.041 -2.101 1
1 1072 . 13 1 1 A 85 85 VAL N N 82 117.345 120.160 -2.815 1
1 1073 . 13 1 1 A 85 85 VAL H H 82 6.971 8.046 -1.075 1
1 1074 . 13 1 1 A 85 85 VAL CA C 82 65.663 66.600 -0.937 1
1 1075 . 13 1 1 A 85 85 VAL HA H 82 3.417 3.504 -0.087 1
1 1076 . 13 1 1 A 85 85 VAL CB C 82 31.165 31.599 -0.434 1
1 1085 . 13 1 1 A 85 85 VAL C C 82 176.601 177.816 -1.215 1
1 1086 . 13 1 1 A 86 86 GLN N N 83 117.137 119.529 -2.392 1
1 1087 . 13 1 1 A 86 86 GLN H H 83 7.536 8.440 -0.904 1
1 1088 . 13 1 1 A 86 86 GLN CA C 83 58.230 58.595 -0.365 1
1 1089 . 13 1 1 A 86 86 GLN HA H 83 3.953 4.109 -0.156 1
1 1090 . 13 1 1 A 86 86 GLN CB C 83 28.240 28.019 0.221 1
1 1099 . 13 1 1 A 86 86 GLN C C 83 178.602 178.119 0.483 1
1 1100 . 13 1 1 A 87 87 ALA N N 84 121.452 122.220 -0.768 1
1 1101 . 13 1 1 A 87 87 ALA H H 84 8.843 7.913 0.930 1
1 1102 . 13 1 1 A 87 87 ALA CA C 84 54.905 55.116 -0.211 1
1 1103 . 13 1 1 A 87 87 ALA HA H 84 4.048 4.099 -0.051 1
1 1107 . 13 1 1 A 87 87 ALA CB C 84 18.088 18.420 -0.332 1
1 1108 . 13 1 1 A 87 87 ALA C C 84 178.498 179.790 -1.292 1
1 1109 . 13 1 1 A 88 88 VAL N N 85 117.570 118.334 -0.764 1
1 1110 . 13 1 1 A 88 88 VAL H H 85 8.515 8.371 0.144 1
1 1111 . 13 1 1 A 88 88 VAL CA C 85 67.315 66.545 0.770 1
1 1112 . 13 1 1 A 88 88 VAL HA H 85 3.764 3.386 0.378 1
1 1113 . 13 1 1 A 88 88 VAL CB C 85 30.610 31.443 -0.833 1
1 1123 . 13 1 1 A 88 88 VAL C C 85 177.138 178.566 -1.428 1
1 1124 . 13 1 1 A 89 89 LYS N N 86 120.005 120.563 -0.558 1
1 1125 . 13 1 1 A 89 89 LYS H H 86 8.612 8.291 0.321 1
1 1126 . 13 1 1 A 89 89 LYS CA C 86 60.851 58.813 2.038 1
1 1127 . 13 1 1 A 89 89 LYS HA H 86 3.827 3.989 -0.162 1
1 1128 . 13 1 1 A 89 89 LYS CB C 86 31.974 31.953 0.021 1
1 1140 . 13 1 1 A 89 89 LYS C C 86 178.096 178.758 -0.662 1
1 1141 . 13 1 1 A 90 90 PHE N N 87 119.839 120.582 -0.743 1
1 1142 . 13 1 1 A 90 90 PHE H H 87 8.184 8.218 -0.034 1
1 1143 . 13 1 1 A 90 90 PHE CA C 87 60.604 61.208 -0.604 1
1 1144 . 13 1 1 A 90 90 PHE HA H 87 4.302 4.243 0.059 1
1 1145 . 13 1 1 A 90 90 PHE CB C 87 38.349 39.124 -0.775 1
1 1154 . 13 1 1 A 90 90 PHE C C 87 177.748 177.535 0.213 1
1 1155 . 13 1 1 A 91 91 LEU N N 88 118.977 119.566 -0.589 1
1 1156 . 13 1 1 A 91 91 LEU H H 88 8.604 8.611 -0.007 1
1 1157 . 13 1 1 A 91 91 LEU CA C 88 58.058 58.560 -0.502 1
1 1158 . 13 1 1 A 91 91 LEU HA H 88 3.975 3.852 0.123 1
1 1159 . 13 1 1 A 91 91 LEU CB C 88 41.114 42.246 -1.132 1
1 1169 . 13 1 1 A 91 91 LEU C C 88 178.106 179.091 -0.985 1
1 1170 . 13 1 1 A 92 92 ILE N N 89 118.378 118.639 -0.261 1
1 1171 . 13 1 1 A 92 92 ILE H H 89 8.420 8.319 0.101 1
1 1172 . 13 1 1 A 92 92 ILE CA C 89 65.761 65.638 0.123 1
1 1173 . 13 1 1 A 92 92 ILE HA H 89 3.542 3.474 0.068 1
1 1174 . 13 1 1 A 92 92 ILE CB C 89 37.372 37.834 -0.462 1
1 1184 . 13 1 1 A 92 92 ILE C C 89 176.952 178.298 -1.346 1
1 1185 . 13 1 1 A 93 93 GLU N N 90 120.262 120.572 -0.310 1
1 1186 . 13 1 1 A 93 93 GLU H H 90 8.133 8.414 -0.281 1
1 1187 . 13 1 1 A 93 93 GLU CA C 90 58.766 59.949 -1.183 1
1 1188 . 13 1 1 A 93 93 GLU HA H 90 4.038 3.846 0.192 1
1 1189 . 13 1 1 A 93 93 GLU CB C 90 28.466 29.016 -0.550 1
1 1195 . 13 1 1 A 93 93 GLU C C 90 178.689 179.081 -0.392 1
1 1196 . 13 1 1 A 94 94 ARG N N 91 117.630 119.289 -1.659 1
1 1197 . 13 1 1 A 94 94 ARG H H 91 7.952 8.105 -0.153 1
1 1198 . 13 1 1 A 94 94 ARG CA C 91 58.343 58.863 -0.520 1
1 1199 . 13 1 1 A 94 94 ARG HA H 91 3.941 3.900 0.041 1
1 1200 . 13 1 1 A 94 94 ARG CB C 91 29.048 29.716 -0.668 1
1 1215 . 13 1 1 A 94 94 ARG C C 91 178.875 178.457 0.418 1
1 1216 . 13 1 1 A 95 95 ILE N N 92 120.056 120.771 -0.715 1
1 1217 . 13 1 1 A 95 95 ILE H H 92 8.225 8.004 0.221 1
1 1218 . 13 1 1 A 95 95 ILE CA C 92 63.296 64.990 -1.694 1
1 1219 . 13 1 1 A 95 95 ILE HA H 92 3.972 3.714 0.258 1
1 1220 . 13 1 1 A 95 95 ILE CB C 92 36.921 37.791 -0.870 1
1 1233 . 13 1 1 A 95 95 ILE C C 92 180.242 178.305 1.937 1
1 1234 . 13 1 1 A 96 96 ARG N N 93 121.023 120.691 0.332 1
1 1235 . 13 1 1 A 96 96 ARG H H 93 8.259 8.528 -0.269 1
1 1236 . 13 1 1 A 96 96 ARG CA C 93 58.401 57.763 0.638 1
1 1237 . 13 1 1 A 96 96 ARG HA H 93 4.068 4.165 -0.097 1
1 1238 . 13 1 1 A 96 96 ARG CB C 93 29.474 29.058 0.416 1
1 1254 . 13 1 1 A 96 96 ARG C C 93 177.500 177.069 0.431 1
1 1255 . 13 1 1 A 97 97 LYS N N 94 116.750 118.022 -1.272 1
1 1256 . 13 1 1 A 97 97 LYS H H 94 7.527 7.501 0.026 1
1 1257 . 13 1 1 A 97 97 LYS CA C 94 55.282 55.734 -0.452 1
1 1258 . 13 1 1 A 97 97 LYS HA H 94 4.274 4.353 -0.079 1
1 1259 . 13 1 1 A 97 97 LYS CB C 94 32.112 33.578 -1.466 1
1 1271 . 13 1 1 A 97 97 LYS C C 94 174.901 175.756 -0.855 1
1 1272 . 13 1 1 A 98 98 ASN N N 95 116.979 116.452 0.527 1
1 1273 . 13 1 1 A 98 98 ASN H H 95 8.150 8.017 0.133 1
1 1274 . 13 1 1 A 98 98 ASN CA C 95 53.822 54.436 -0.614 1
1 1275 . 13 1 1 A 98 98 ASN HA H 95 4.370 4.234 0.136 1
1 1276 . 13 1 1 A 98 98 ASN CB C 95 36.674 37.293 -0.619 1
1 1282 . 13 1 1 A 98 98 ASN C C 95 173.779 174.079 -0.300 1
1 1283 . 13 1 1 A 99 99 GLU N N 96 118.529 118.283 0.246 1
1 1284 . 13 1 1 A 99 99 GLU H H 96 8.236 8.285 -0.049 1
1 1285 . 13 1 1 A 99 99 GLU CA C 96 52.891 53.770 -0.879 1
1 1286 . 13 1 1 A 99 99 GLU HA H 96 4.673 4.685 -0.012 1
1 1287 . 13 1 1 A 99 99 GLU CB C 96 30.358 29.556 0.802 1
1 1292 . 13 1 1 A 100 100 PRO CA C 97 62.037 62.692 -0.655 1
1 1293 . 13 1 1 A 100 100 PRO HA H 97 4.272 4.601 -0.329 1
1 1294 . 13 1 1 A 100 100 PRO CB C 97 31.609 32.542 -0.933 1
1 1302 . 13 1 1 A 100 100 PRO C C 97 176.184 175.868 0.316 1
1 1303 . 13 1 1 A 101 101 LEU N N 98 122.794 123.565 -0.771 1
1 1304 . 13 1 1 A 101 101 LEU H H 98 8.832 8.525 0.307 1
1 1305 . 13 1 1 A 101 101 LEU CA C 98 52.524 52.218 0.306 1
1 1306 . 13 1 1 A 101 101 LEU HA H 98 4.654 5.026 -0.372 1
1 1307 . 13 1 1 A 101 101 LEU CB C 98 40.422 42.434 -2.012 1
1 1321 . 13 1 1 A 102 102 PRO CA C 99 61.075 62.239 -1.164 1
1 1322 . 13 1 1 A 102 102 PRO HA H 99 4.629 4.640 -0.011 1
1 1323 . 13 1 1 A 102 102 PRO CB C 99 31.778 33.160 -1.382 1
1 1328 . 13 1 1 A 102 102 PRO C C 99 174.604 176.370 -1.766 1
1 1329 . 13 1 1 A 103 103 VAL N N 100 120.834 120.942 -0.108 1
1 1330 . 13 1 1 A 103 103 VAL H H 100 8.661 8.501 0.160 1
1 1331 . 13 1 1 A 103 103 VAL CA C 100 62.977 62.887 0.090 1
1 1332 . 13 1 1 A 103 103 VAL HA H 100 3.860 4.125 -0.265 1
1 1333 . 13 1 1 A 103 103 VAL CB C 100 31.731 32.090 -0.359 1
1 1342 . 13 1 1 A 103 103 VAL C C 100 177.396 176.277 1.119 1
1 1343 . 13 1 1 A 104 104 TYR N N 101 129.973 127.370 2.603 1
1 1344 . 13 1 1 A 104 104 TYR H H 101 8.487 9.188 -0.701 1
1 1345 . 13 1 1 A 104 104 TYR CA C 101 62.855 61.957 0.898 1
1 1346 . 13 1 1 A 104 104 TYR HA H 101 3.802 4.055 -0.253 1
1 1347 . 13 1 1 A 104 104 TYR CB C 101 38.429 38.776 -0.347 1
1 1356 . 13 1 1 A 104 104 TYR C C 101 175.877 177.500 -1.623 1
1 1357 . 13 1 1 A 105 105 LYS N N 102 117.165 119.660 -2.495 1
1 1358 . 13 1 1 A 105 105 LYS H H 102 8.848 8.412 0.436 1
1 1359 . 13 1 1 A 105 105 LYS CA C 102 59.343 59.990 -0.647 1
1 1360 . 13 1 1 A 105 105 LYS HA H 102 3.810 4.011 -0.201 1
1 1361 . 13 1 1 A 105 105 LYS CB C 102 31.739 32.099 -0.360 1
1 1373 . 13 1 1 A 105 105 LYS C C 102 177.370 178.246 -0.876 1
1 1374 . 13 1 1 A 106 106 ASP N N 103 117.011 120.347 -3.336 1
1 1375 . 13 1 1 A 106 106 ASP H H 103 6.781 8.188 -1.407 1
1 1376 . 13 1 1 A 106 106 ASP CA C 103 56.155 57.728 -1.573 1
1 1377 . 13 1 1 A 106 106 ASP HA H 103 4.454 4.284 0.170 1
1 1378 . 13 1 1 A 106 106 ASP CB C 103 39.467 41.522 -2.055 1
1 1381 . 13 1 1 A 106 106 ASP C C 103 178.180 178.121 0.059 1
1 1382 . 13 1 1 A 107 107 LEU N N 104 124.145 119.805 4.340 1
1 1383 . 13 1 1 A 107 107 LEU H H 104 7.687 8.259 -0.572 1
1 1384 . 13 1 1 A 107 107 LEU CA C 104 56.938 57.915 -0.977 1
1 1385 . 13 1 1 A 107 107 LEU HA H 104 4.000 3.920 0.080 1
1 1386 . 13 1 1 A 107 107 LEU CB C 104 41.707 41.579 0.128 1
1 1399 . 13 1 1 A 107 107 LEU C C 104 176.403 178.666 -2.263 1
1 1400 . 13 1 1 A 108 108 TRP N N 105 120.039 120.371 -0.332 1
1 1401 . 13 1 1 A 108 108 TRP H H 105 9.072 8.100 0.972 1
1 1402 . 13 1 1 A 108 108 TRP CA C 105 62.392 60.516 1.876 1
1 1403 . 13 1 1 A 108 108 TRP HA H 105 3.547 3.900 -0.353 1
1 1404 . 13 1 1 A 108 108 TRP CB C 105 28.316 29.050 -0.734 1
1 1415 . 13 1 1 A 108 108 TRP C C 105 176.983 178.129 -1.146 1
1 1416 . 13 1 1 A 109 109 ASN N N 106 113.557 116.354 -2.797 1
1 1417 . 13 1 1 A 109 109 ASN H H 106 8.058 8.193 -0.135 1
1 1418 . 13 1 1 A 109 109 ASN CA C 106 55.662 55.960 -0.298 1
1 1419 . 13 1 1 A 109 109 ASN HA H 106 3.994 3.833 0.161 1
1 1420 . 13 1 1 A 109 109 ASN CB C 106 37.973 37.418 0.555 1
1 1426 . 13 1 1 A 109 109 ASN C C 106 176.928 177.564 -0.636 1
1 1427 . 13 1 1 A 110 110 ALA N N 107 121.997 122.810 -0.813 1
1 1428 . 13 1 1 A 110 110 ALA H H 107 7.718 7.821 -0.103 1
1 1429 . 13 1 1 A 110 110 ALA CA C 107 54.261 55.002 -0.741 1
1 1430 . 13 1 1 A 110 110 ALA HA H 107 3.979 4.039 -0.060 1
1 1434 . 13 1 1 A 110 110 ALA CB C 107 17.322 18.407 -1.085 1
1 1435 . 13 1 1 A 110 110 ALA C C 107 180.452 180.172 0.280 1
1 1436 . 13 1 1 A 111 111 LEU N N 108 119.150 117.868 1.282 1
1 1437 . 13 1 1 A 111 111 LEU H H 108 8.200 8.191 0.009 1
1 1438 . 13 1 1 A 111 111 LEU CA C 108 56.264 57.530 -1.266 1
1 1439 . 13 1 1 A 111 111 LEU HA H 108 3.857 4.014 -0.157 1
1 1440 . 13 1 1 A 111 111 LEU CB C 108 41.134 41.108 0.026 1
1 1453 . 13 1 1 A 111 111 LEU C C 108 178.144 179.346 -1.202 1
1 1454 . 13 1 1 A 112 112 ARG N N 109 117.178 120.372 -3.194 1
1 1455 . 13 1 1 A 112 112 ARG H H 109 7.365 8.044 -0.679 1
1 1456 . 13 1 1 A 112 112 ARG CA C 109 56.443 59.717 -3.274 1
1 1457 . 13 1 1 A 112 112 ARG HA H 109 2.642 4.028 -1.386 1
1 1458 . 13 1 1 A 112 112 ARG CB C 109 28.901 29.660 -0.759 1
1 1469 . 13 1 1 A 112 112 ARG C C 109 176.348 178.509 -2.161 1
1 1470 . 13 1 1 A 113 113 LYS N N 110 118.628 118.941 -0.313 1
1 1471 . 13 1 1 A 113 113 LYS H H 110 7.145 7.800 -0.655 1
1 1472 . 13 1 1 A 113 113 LYS CA C 110 56.410 58.580 -2.170 1
1 1473 . 13 1 1 A 113 113 LYS HA H 110 4.018 4.081 -0.063 1
1 1474 . 13 1 1 A 113 113 LYS CB C 110 32.091 32.906 -0.815 1
1 1486 . 13 1 1 A 113 113 LYS C C 110 176.164 177.382 -1.218 1
1 5 . 14 1 1 A 2 2 SER N N -2 115.414 114.615 0.799 1
1 6 . 14 1 1 A 2 2 SER H H -2 8.737 8.261 0.476 1
1 7 . 14 1 1 A 2 2 SER CA C -2 57.710 58.916 -1.206 1
1 8 . 14 1 1 A 2 2 SER HA H -2 4.446 4.643 -0.197 1
1 9 . 14 1 1 A 2 2 SER CB C -2 63.365 66.039 -2.674 1
1 12 . 14 1 1 A 2 2 SER C C -2 173.826 174.442 -0.616 1
1 40 . 14 1 1 A 5 5 ILE N N 2 122.114 119.952 2.162 1
1 41 . 14 1 1 A 5 5 ILE H H 2 8.292 7.553 0.739 1
1 42 . 14 1 1 A 5 5 ILE CA C 2 60.568 59.634 0.934 1
1 43 . 14 1 1 A 5 5 ILE HA H 2 4.102 4.934 -0.832 1
1 44 . 14 1 1 A 5 5 ILE CB C 2 38.417 42.105 -3.688 1
1 57 . 14 1 1 A 5 5 ILE C C 2 174.970 174.343 0.627 1
1 58 . 14 1 1 A 6 6 ASN N N 3 122.794 120.882 1.912 1
1 59 . 14 1 1 A 6 6 ASN H H 3 8.636 8.819 -0.183 1
1 60 . 14 1 1 A 6 6 ASN CA C 3 52.274 53.242 -0.968 1
1 61 . 14 1 1 A 6 6 ASN HA H 3 4.712 5.225 -0.513 1
1 62 . 14 1 1 A 6 6 ASN CB C 3 38.194 42.461 -4.267 1
1 68 . 14 1 1 A 6 6 ASN C C 3 174.766 175.128 -0.362 1
1 69 . 14 1 1 A 7 7 LEU N N 4 123.220 126.977 -3.757 1
1 70 . 14 1 1 A 7 7 LEU H H 4 8.484 9.036 -0.552 1
1 71 . 14 1 1 A 7 7 LEU CA C 4 55.359 57.653 -2.294 1
1 72 . 14 1 1 A 7 7 LEU HA H 4 4.197 4.242 -0.045 1
1 73 . 14 1 1 A 7 7 LEU CB C 4 41.461 42.037 -0.576 1
1 86 . 14 1 1 A 7 7 LEU C C 4 177.248 178.486 -1.238 1
1 87 . 14 1 1 A 8 8 GLU N N 5 119.354 116.621 2.733 1
1 88 . 14 1 1 A 8 8 GLU H H 5 8.455 7.624 0.831 1
1 89 . 14 1 1 A 8 8 GLU CA C 5 56.589 56.816 -0.227 1
1 90 . 14 1 1 A 8 8 GLU HA H 5 4.091 4.359 -0.268 1
1 91 . 14 1 1 A 8 8 GLU CB C 5 29.275 30.256 -0.981 1
1 97 . 14 1 1 A 8 8 GLU C C 5 175.981 176.187 -0.206 1
1 98 . 14 1 1 A 9 9 ASP N N 6 119.780 118.801 0.979 1
1 99 . 14 1 1 A 9 9 ASP H H 6 8.136 8.340 -0.204 1
1 100 . 14 1 1 A 9 9 ASP CA C 6 53.931 53.770 0.161 1
1 101 . 14 1 1 A 9 9 ASP HA H 6 4.492 4.913 -0.421 1
1 102 . 14 1 1 A 9 9 ASP CB C 6 40.360 41.798 -1.438 1
1 105 . 14 1 1 A 9 9 ASP C C 6 175.397 175.261 0.136 1
1 106 . 14 1 1 A 10 10 TYR N N 7 119.939 120.647 -0.708 1
1 107 . 14 1 1 A 10 10 TYR H H 7 7.902 7.734 0.168 1
1 108 . 14 1 1 A 10 10 TYR CA C 7 57.667 57.482 0.185 1
1 109 . 14 1 1 A 10 10 TYR HA H 7 4.431 4.752 -0.321 1
1 110 . 14 1 1 A 10 10 TYR CB C 7 38.236 39.221 -0.985 1
1 119 . 14 1 1 A 10 10 TYR C C 7 174.898 175.765 -0.867 1
1 120 . 14 1 1 A 11 11 TRP N N 8 122.648 122.209 0.439 1
1 121 . 14 1 1 A 11 11 TRP H H 8 7.917 8.287 -0.370 1
1 122 . 14 1 1 A 11 11 TRP CA C 8 56.562 59.183 -2.621 1
1 123 . 14 1 1 A 11 11 TRP HA H 8 4.578 4.608 -0.030 1
1 124 . 14 1 1 A 11 11 TRP CB C 8 29.293 30.875 -1.582 1
1 139 . 14 1 1 A 11 11 TRP C C 8 175.212 176.305 -1.093 1
1 140 . 14 1 1 A 12 12 GLU N N 9 122.189 117.893 4.296 1
1 141 . 14 1 1 A 12 12 GLU H H 9 8.030 8.178 -0.148 1
1 142 . 14 1 1 A 12 12 GLU CA C 9 55.743 57.444 -1.701 1
1 143 . 14 1 1 A 12 12 GLU HA H 9 4.137 4.271 -0.134 1
1 144 . 14 1 1 A 12 12 GLU CB C 9 30.001 28.666 1.335 1
1 150 . 14 1 1 A 12 12 GLU C C 9 175.138 176.265 -1.127 1
1 151 . 14 1 1 A 13 13 ASP N N 10 121.099 125.124 -4.025 1
1 152 . 14 1 1 A 13 13 ASP H H 10 8.253 9.050 -0.797 1
1 153 . 14 1 1 A 13 13 ASP CA C 10 53.843 54.395 -0.552 1
1 154 . 14 1 1 A 13 13 ASP HA H 10 4.500 5.111 -0.611 1
1 155 . 14 1 1 A 13 13 ASP CB C 10 40.715 42.062 -1.347 1
1 158 . 14 1 1 A 13 13 ASP C C 10 175.700 175.894 -0.194 1
1 159 . 14 1 1 A 14 14 GLU N N 11 121.240 118.580 2.660 1
1 160 . 14 1 1 A 14 14 GLU H H 11 8.435 8.020 0.415 1
1 161 . 14 1 1 A 14 14 GLU CA C 11 55.858 55.566 0.292 1
1 162 . 14 1 1 A 14 14 GLU HA H 11 4.289 4.569 -0.280 1
1 163 . 14 1 1 A 14 14 GLU CB C 11 29.758 30.895 -1.137 1
1 169 . 14 1 1 A 14 14 GLU C C 11 176.002 174.469 1.533 1
1 170 . 14 1 1 A 15 15 THR N N 12 118.367 112.688 5.679 1
1 171 . 14 1 1 A 15 15 THR H H 12 8.407 7.322 1.085 1
1 172 . 14 1 1 A 15 15 THR CA C 12 59.646 60.157 -0.511 1
1 173 . 14 1 1 A 15 15 THR HA H 12 4.503 4.521 -0.018 1
1 174 . 14 1 1 A 15 15 THR CB C 12 69.084 68.697 0.387 1
1 181 . 14 1 1 A 16 16 PRO CA C 13 62.791 62.214 0.577 1
1 182 . 14 1 1 A 16 16 PRO HA H 13 4.408 4.525 -0.117 1
1 183 . 14 1 1 A 16 16 PRO CB C 13 31.771 33.003 -1.232 1
1 191 . 14 1 1 A 16 16 PRO C C 13 176.689 176.885 -0.196 1
1 192 . 14 1 1 A 17 17 GLY N N 14 109.540 108.298 1.242 1
1 193 . 14 1 1 A 17 17 GLY H H 14 8.423 8.357 0.066 1
1 194 . 14 1 1 A 17 17 GLY CA C 14 44.219 44.678 -0.459 1
1 195 . 14 1 1 A 17 17 GLY HA2 H 14 4.010 4.008 0.002 1
1 196 . 14 1 1 A 17 17 GLY HA3 H 14 4.159 4.009 0.150 1
1 198 . 14 1 1 A 18 18 PRO CA C 15 62.843 62.843 0.000 1
1 199 . 14 1 1 A 18 18 PRO HA H 15 4.412 4.746 -0.334 1
1 200 . 14 1 1 A 18 18 PRO CB C 15 31.667 33.118 -1.451 1
1 208 . 14 1 1 A 18 18 PRO C C 15 176.447 175.248 1.199 1
1 209 . 14 1 1 A 19 19 ASP N N 16 119.197 120.790 -1.593 1
1 210 . 14 1 1 A 19 19 ASP H H 16 8.517 8.957 -0.440 1
1 211 . 14 1 1 A 19 19 ASP CA C 16 53.940 55.565 -1.625 1
1 212 . 14 1 1 A 19 19 ASP HA H 16 4.559 4.709 -0.150 1
1 213 . 14 1 1 A 19 19 ASP CB C 16 40.180 42.029 -1.849 1
1 216 . 14 1 1 A 19 19 ASP C C 16 175.764 176.400 -0.636 1
1 217 . 14 1 1 A 20 20 ARG N N 17 120.435 117.530 2.905 1
1 218 . 14 1 1 A 20 20 ARG H H 17 8.201 8.051 0.150 1
1 219 . 14 1 1 A 20 20 ARG CA C 17 55.216 56.100 -0.884 1
1 220 . 14 1 1 A 20 20 ARG HA H 17 4.356 4.341 0.015 1
1 221 . 14 1 1 A 20 20 ARG CB C 17 30.184 29.861 0.323 1
1 237 . 14 1 1 A 20 20 ARG C C 17 175.724 176.292 -0.568 1
1 238 . 14 1 1 A 21 21 GLU N N 18 122.477 122.040 0.437 1
1 239 . 14 1 1 A 21 21 GLU H H 18 8.371 7.419 0.952 1
1 240 . 14 1 1 A 21 21 GLU CA C 18 53.658 54.803 -1.145 1
1 241 . 14 1 1 A 21 21 GLU HA H 18 4.657 4.381 0.276 1
1 242 . 14 1 1 A 21 21 GLU CB C 18 28.984 29.644 -0.660 1
1 249 . 14 1 1 A 22 22 PRO CA C 19 62.442 62.347 0.095 1
1 250 . 14 1 1 A 22 22 PRO HA H 19 4.516 4.509 0.007 1
1 251 . 14 1 1 A 22 22 PRO CB C 19 31.903 33.005 -1.102 1
1 259 . 14 1 1 A 22 22 PRO C C 19 176.323 175.060 1.263 1
1 260 . 14 1 1 A 23 23 THR N N 20 112.531 114.314 -1.783 1
1 261 . 14 1 1 A 23 23 THR H H 20 7.946 8.309 -0.363 1
1 262 . 14 1 1 A 23 23 THR CA C 20 60.521 60.840 -0.319 1
1 263 . 14 1 1 A 23 23 THR HA H 20 4.373 4.753 -0.380 1
1 264 . 14 1 1 A 23 23 THR CB C 20 70.238 71.756 -1.518 1
1 270 . 14 1 1 A 23 23 THR C C 20 174.678 174.853 -0.175 1
1 271 . 14 1 1 A 24 24 ASN N N 21 120.631 124.454 -3.823 1
1 272 . 14 1 1 A 24 24 ASN H H 21 8.958 9.068 -0.110 1
1 273 . 14 1 1 A 24 24 ASN CA C 21 54.854 56.854 -2.000 1
1 274 . 14 1 1 A 24 24 ASN HA H 21 4.467 4.325 0.142 1
1 275 . 14 1 1 A 24 24 ASN CB C 21 37.535 38.769 -1.234 1
1 281 . 14 1 1 A 24 24 ASN C C 21 176.397 176.773 -0.376 1
1 282 . 14 1 1 A 25 25 GLU N N 22 120.237 119.156 1.081 1
1 283 . 14 1 1 A 25 25 GLU H H 22 8.644 8.049 0.595 1
1 284 . 14 1 1 A 25 25 GLU CA C 22 59.195 58.828 0.367 1
1 285 . 14 1 1 A 25 25 GLU HA H 22 4.076 4.141 -0.065 1
1 286 . 14 1 1 A 25 25 GLU CB C 22 28.567 29.546 -0.979 1
1 292 . 14 1 1 A 25 25 GLU C C 22 177.942 178.801 -0.859 1
1 293 . 14 1 1 A 26 26 LEU N N 23 122.376 121.592 0.784 1
1 294 . 14 1 1 A 26 26 LEU H H 23 8.109 8.201 -0.092 1
1 295 . 14 1 1 A 26 26 LEU CA C 23 56.940 58.200 -1.260 1
1 296 . 14 1 1 A 26 26 LEU HA H 23 4.247 3.982 0.265 1
1 297 . 14 1 1 A 26 26 LEU CB C 23 40.425 41.792 -1.367 1
1 310 . 14 1 1 A 26 26 LEU C C 23 178.298 178.273 0.025 1
1 311 . 14 1 1 A 27 27 ARG N N 24 118.606 118.098 0.508 1
1 312 . 14 1 1 A 27 27 ARG H H 24 8.225 8.253 -0.028 1
1 313 . 14 1 1 A 27 27 ARG CA C 24 59.892 59.030 0.862 1
1 314 . 14 1 1 A 27 27 ARG HA H 24 3.875 4.011 -0.136 1
1 315 . 14 1 1 A 27 27 ARG CB C 24 28.853 29.876 -1.023 1
1 331 . 14 1 1 A 27 27 ARG C C 24 178.374 178.551 -0.177 1
1 332 . 14 1 1 A 28 28 ASN N N 25 117.812 118.170 -0.358 1
1 333 . 14 1 1 A 28 28 ASN H H 25 8.146 8.389 -0.243 1
1 334 . 14 1 1 A 28 28 ASN CA C 25 55.753 56.505 -0.752 1
1 335 . 14 1 1 A 28 28 ASN HA H 25 4.452 4.578 -0.126 1
1 336 . 14 1 1 A 28 28 ASN CB C 25 37.388 39.259 -1.871 1
1 342 . 14 1 1 A 28 28 ASN C C 25 177.043 177.860 -0.817 1
1 343 . 14 1 1 A 29 29 GLU N N 26 121.177 118.048 3.129 1
1 344 . 14 1 1 A 29 29 GLU H H 26 8.247 8.548 -0.301 1
1 345 . 14 1 1 A 29 29 GLU CA C 26 58.897 59.018 -0.121 1
1 346 . 14 1 1 A 29 29 GLU HA H 26 4.075 4.086 -0.011 1
1 347 . 14 1 1 A 29 29 GLU CB C 26 29.202 29.515 -0.313 1
1 353 . 14 1 1 A 29 29 GLU C C 26 180.215 179.867 0.348 1
1 354 . 14 1 1 A 30 30 VAL N N 27 123.509 121.291 2.218 1
1 355 . 14 1 1 A 30 30 VAL H H 27 8.793 7.866 0.927 1
1 356 . 14 1 1 A 30 30 VAL CA C 27 68.051 66.875 1.176 1
1 357 . 14 1 1 A 30 30 VAL HA H 27 3.413 3.834 -0.421 1
1 358 . 14 1 1 A 30 30 VAL CB C 27 31.196 31.403 -0.207 1
1 368 . 14 1 1 A 30 30 VAL C C 27 176.589 178.120 -1.531 1
1 369 . 14 1 1 A 31 31 GLU N N 28 119.159 119.137 0.022 1
1 370 . 14 1 1 A 31 31 GLU H H 28 8.042 8.291 -0.249 1
1 371 . 14 1 1 A 31 31 GLU CA C 28 59.379 59.706 -0.327 1
1 372 . 14 1 1 A 31 31 GLU HA H 28 3.946 4.014 -0.068 1
1 373 . 14 1 1 A 31 31 GLU CB C 28 28.603 29.178 -0.575 1
1 379 . 14 1 1 A 31 31 GLU C C 28 179.282 178.874 0.408 1
1 380 . 14 1 1 A 32 32 GLU N N 29 118.871 118.640 0.231 1
1 381 . 14 1 1 A 32 32 GLU H H 29 8.550 8.211 0.339 1
1 382 . 14 1 1 A 32 32 GLU CA C 29 58.770 59.050 -0.280 1
1 383 . 14 1 1 A 32 32 GLU HA H 29 4.056 4.094 -0.038 1
1 384 . 14 1 1 A 32 32 GLU CB C 29 29.214 29.188 0.026 1
1 390 . 14 1 1 A 32 32 GLU C C 29 178.791 178.280 0.511 1
1 391 . 14 1 1 A 33 33 THR N N 30 117.719 111.922 5.797 1
1 392 . 14 1 1 A 33 33 THR H H 30 8.205 8.204 0.001 1
1 393 . 14 1 1 A 33 33 THR CA C 30 67.465 65.776 1.689 1
1 394 . 14 1 1 A 33 33 THR HA H 30 3.816 4.019 -0.203 1
1 395 . 14 1 1 A 33 33 THR CB C 30 66.888 68.280 -1.392 1
1 401 . 14 1 1 A 33 33 THR C C 30 175.681 177.864 -2.183 1
1 402 . 14 1 1 A 34 34 ILE N N 31 123.925 123.360 0.565 1
1 403 . 14 1 1 A 34 34 ILE H H 31 8.698 8.101 0.597 1
1 404 . 14 1 1 A 34 34 ILE CA C 31 66.438 64.656 1.782 1
1 405 . 14 1 1 A 34 34 ILE HA H 31 3.442 3.736 -0.294 1
1 406 . 14 1 1 A 34 34 ILE CB C 31 37.311 37.313 -0.002 1
1 416 . 14 1 1 A 34 34 ILE C C 31 176.731 177.995 -1.264 1
1 417 . 14 1 1 A 35 35 THR N N 32 116.478 118.213 -1.735 1
1 418 . 14 1 1 A 35 35 THR H H 32 7.956 8.161 -0.205 1
1 419 . 14 1 1 A 35 35 THR CA C 32 66.447 67.190 -0.743 1
1 420 . 14 1 1 A 35 35 THR HA H 32 3.929 4.003 -0.074 1
1 421 . 14 1 1 A 35 35 THR CB C 32 67.964 67.885 0.079 1
1 427 . 14 1 1 A 35 35 THR C C 32 176.226 176.798 -0.572 1
1 428 . 14 1 1 A 36 36 LEU N N 33 119.834 120.478 -0.644 1
1 429 . 14 1 1 A 36 36 LEU H H 33 7.663 7.824 -0.161 1
1 430 . 14 1 1 A 36 36 LEU CA C 33 57.274 57.596 -0.322 1
1 431 . 14 1 1 A 36 36 LEU HA H 33 4.075 4.009 0.066 1
1 432 . 14 1 1 A 36 36 LEU CB C 33 42.188 41.720 0.468 1
1 445 . 14 1 1 A 36 36 LEU C C 33 179.412 179.094 0.318 1
1 446 . 14 1 1 A 37 37 MET N N 34 119.993 117.838 2.155 1
1 447 . 14 1 1 A 37 37 MET H H 34 8.509 8.414 0.095 1
1 448 . 14 1 1 A 37 37 MET CA C 34 57.865 57.686 0.179 1
1 449 . 14 1 1 A 37 37 MET HA H 34 3.865 4.274 -0.409 1
1 450 . 14 1 1 A 37 37 MET CB C 34 28.735 32.466 -3.731 1
1 460 . 14 1 1 A 37 37 MET C C 34 178.772 178.327 0.445 1
1 461 . 14 1 1 A 38 38 GLU N N 35 120.011 120.665 -0.654 1
1 462 . 14 1 1 A 38 38 GLU H H 35 8.321 8.285 0.036 1
1 463 . 14 1 1 A 38 38 GLU CA C 35 58.442 58.923 -0.481 1
1 464 . 14 1 1 A 38 38 GLU HA H 35 3.928 4.068 -0.140 1
1 465 . 14 1 1 A 38 38 GLU CB C 35 28.943 29.730 -0.787 1
1 471 . 14 1 1 A 38 38 GLU C C 35 176.040 177.749 -1.709 1
1 472 . 14 1 1 A 39 39 LEU N N 36 118.349 117.753 0.596 1
1 473 . 14 1 1 A 39 39 LEU H H 36 7.441 7.591 -0.150 1
1 474 . 14 1 1 A 39 39 LEU CA C 36 54.614 54.157 0.457 1
1 475 . 14 1 1 A 39 39 LEU HA H 36 4.393 4.508 -0.115 1
1 476 . 14 1 1 A 39 39 LEU CB C 36 42.210 41.126 1.084 1
1 489 . 14 1 1 A 39 39 LEU C C 36 178.113 176.529 1.584 1
1 490 . 14 1 1 A 40 40 LEU N N 37 118.362 122.163 -3.801 1
1 491 . 14 1 1 A 40 40 LEU H H 37 7.464 7.469 -0.005 1
1 492 . 14 1 1 A 40 40 LEU CA C 37 54.659 56.014 -1.355 1
1 493 . 14 1 1 A 40 40 LEU HA H 37 4.400 4.145 0.255 1
1 494 . 14 1 1 A 40 40 LEU CB C 37 40.993 42.444 -1.451 1
1 507 . 14 1 1 A 40 40 LEU C C 37 177.827 175.936 1.891 1
1 508 . 14 1 1 A 41 41 LYS N N 38 120.851 122.509 -1.658 1
1 509 . 14 1 1 A 41 41 LYS H H 38 9.254 8.138 1.116 1
1 510 . 14 1 1 A 41 41 LYS CA C 38 54.727 54.135 0.592 1
1 511 . 14 1 1 A 41 41 LYS HA H 38 4.572 4.717 -0.145 1
1 512 . 14 1 1 A 41 41 LYS CB C 38 33.768 34.557 -0.789 1
1 524 . 14 1 1 A 41 41 LYS C C 38 177.911 177.665 0.246 1
1 525 . 14 1 1 A 42 42 VAL N N 39 122.215 118.461 3.754 1
1 526 . 14 1 1 A 42 42 VAL H H 39 9.039 8.805 0.234 1
1 527 . 14 1 1 A 42 42 VAL CA C 39 67.408 65.371 2.037 1
1 528 . 14 1 1 A 42 42 VAL HA H 39 3.699 3.722 -0.023 1
1 529 . 14 1 1 A 42 42 VAL CB C 39 31.056 31.609 -0.553 1
1 539 . 14 1 1 A 42 42 VAL C C 39 176.560 177.829 -1.269 1
1 540 . 14 1 1 A 43 43 SER N N 40 114.377 117.133 -2.756 1
1 541 . 14 1 1 A 43 43 SER H H 40 8.686 8.055 0.631 1
1 542 . 14 1 1 A 43 43 SER CA C 40 61.144 61.507 -0.363 1
1 543 . 14 1 1 A 43 43 SER HA H 40 3.933 4.081 -0.148 1
1 544 . 14 1 1 A 43 43 SER CB C 40 60.933 63.068 -2.135 1
1 547 . 14 1 1 A 43 43 SER C C 40 175.910 177.381 -1.471 1
1 548 . 14 1 1 A 44 44 GLU N N 41 122.833 121.650 1.183 1
1 549 . 14 1 1 A 44 44 GLU H H 41 6.661 7.863 -1.202 1
1 550 . 14 1 1 A 44 44 GLU CA C 41 57.315 59.190 -1.875 1
1 551 . 14 1 1 A 44 44 GLU HA H 41 4.363 4.089 0.274 1
1 552 . 14 1 1 A 44 44 GLU CB C 41 30.399 29.364 1.035 1
1 558 . 14 1 1 A 44 44 GLU C C 41 178.185 179.315 -1.130 1
1 559 . 14 1 1 A 45 45 LEU N N 42 119.110 120.111 -1.001 1
1 560 . 14 1 1 A 45 45 LEU H H 42 8.393 8.598 -0.205 1
1 561 . 14 1 1 A 45 45 LEU CA C 42 57.359 57.711 -0.352 1
1 562 . 14 1 1 A 45 45 LEU HA H 42 3.918 3.891 0.027 1
1 563 . 14 1 1 A 45 45 LEU CB C 42 42.476 41.458 1.018 1
1 576 . 14 1 1 A 45 45 LEU C C 42 179.735 179.387 0.348 1
1 577 . 14 1 1 A 46 46 LYS N N 43 118.025 117.652 0.373 1
1 578 . 14 1 1 A 46 46 LYS H H 43 8.596 8.217 0.379 1
1 579 . 14 1 1 A 46 46 LYS CA C 43 60.844 60.449 0.395 1
1 580 . 14 1 1 A 46 46 LYS HA H 43 3.816 3.868 -0.052 1
1 581 . 14 1 1 A 46 46 LYS CB C 43 31.918 32.380 -0.462 1
1 593 . 14 1 1 A 46 46 LYS C C 43 177.672 179.308 -1.636 1
1 594 . 14 1 1 A 47 47 ASP N N 44 119.267 119.724 -0.457 1
1 595 . 14 1 1 A 47 47 ASP H H 44 7.448 8.192 -0.744 1
1 596 . 14 1 1 A 47 47 ASP CA C 44 57.422 57.378 0.044 1
1 597 . 14 1 1 A 47 47 ASP HA H 44 4.555 4.353 0.202 1
1 598 . 14 1 1 A 47 47 ASP CB C 44 39.264 40.760 -1.496 1
1 601 . 14 1 1 A 47 47 ASP C C 44 179.284 178.952 0.332 1
1 602 . 14 1 1 A 48 48 ILE N N 45 120.817 119.134 1.683 1
1 603 . 14 1 1 A 48 48 ILE H H 45 7.871 8.084 -0.213 1
1 604 . 14 1 1 A 48 48 ILE CA C 45 64.604 65.361 -0.757 1
1 605 . 14 1 1 A 48 48 ILE HA H 45 3.653 3.681 -0.028 1
1 606 . 14 1 1 A 48 48 ILE CB C 45 36.293 38.272 -1.979 1
1 619 . 14 1 1 A 48 48 ILE C C 45 177.180 177.400 -0.220 1
1 620 . 14 1 1 A 49 49 CYS N N 46 117.775 119.627 -1.852 1
1 621 . 14 1 1 A 49 49 CYS H H 46 8.543 8.370 0.173 1
1 622 . 14 1 1 A 49 49 CYS CA C 46 64.971 63.310 1.661 1
1 623 . 14 1 1 A 49 49 CYS HA H 46 3.852 3.942 -0.090 1
1 624 . 14 1 1 A 49 49 CYS CB C 46 25.872 26.888 -1.016 1
1 627 . 14 1 1 A 49 49 CYS C C 46 176.288 177.118 -0.830 1
1 628 . 14 1 1 A 50 50 ARG N N 47 118.702 122.904 -4.202 1
1 629 . 14 1 1 A 50 50 ARG H H 47 8.626 7.959 0.667 1
1 630 . 14 1 1 A 50 50 ARG CA C 47 58.983 59.069 -0.086 1
1 631 . 14 1 1 A 50 50 ARG HA H 47 4.058 4.086 -0.028 1
1 632 . 14 1 1 A 50 50 ARG CB C 47 29.512 30.181 -0.669 1
1 648 . 14 1 1 A 50 50 ARG C C 47 179.270 178.130 1.140 1
1 649 . 14 1 1 A 51 51 SER N N 48 114.502 115.061 -0.559 1
1 650 . 14 1 1 A 51 51 SER H H 48 7.514 8.407 -0.893 1
1 651 . 14 1 1 A 51 51 SER CA C 48 61.745 61.552 0.193 1
1 652 . 14 1 1 A 51 51 SER HA H 48 4.308 4.191 0.117 1
1 653 . 14 1 1 A 51 51 SER CB C 48 62.780 62.251 0.529 1
1 656 . 14 1 1 A 51 51 SER C C 48 176.764 177.100 -0.336 1
1 657 . 14 1 1 A 52 52 VAL N N 49 113.832 121.212 -7.380 1
1 658 . 14 1 1 A 52 52 VAL H H 49 7.511 7.972 -0.461 1
1 659 . 14 1 1 A 52 52 VAL CA C 49 60.751 63.888 -3.137 1
1 660 . 14 1 1 A 52 52 VAL HA H 49 3.760 3.588 0.172 1
1 661 . 14 1 1 A 52 52 VAL CB C 49 30.719 31.425 -0.706 1
1 671 . 14 1 1 A 52 52 VAL C C 49 173.462 175.424 -1.962 1
1 672 . 14 1 1 A 53 53 SER N N 50 112.698 116.882 -4.184 1
1 673 . 14 1 1 A 53 53 SER H H 50 7.653 7.933 -0.280 1
1 674 . 14 1 1 A 53 53 SER CA C 50 59.025 59.466 -0.441 1
1 675 . 14 1 1 A 53 53 SER HA H 50 3.911 4.125 -0.214 1
1 676 . 14 1 1 A 53 53 SER CB C 50 60.895 62.126 -1.231 1
1 679 . 14 1 1 A 53 53 SER C C 50 174.065 173.346 0.719 1
1 680 . 14 1 1 A 54 54 PHE N N 51 120.132 120.009 0.123 1
1 681 . 14 1 1 A 54 54 PHE H H 51 8.332 7.815 0.517 1
1 682 . 14 1 1 A 54 54 PHE CA C 51 51.743 56.527 -4.784 1
1 683 . 14 1 1 A 54 54 PHE HA H 51 5.171 4.485 0.686 1
1 684 . 14 1 1 A 54 54 PHE CB C 51 37.762 38.991 -1.229 1
1 696 . 14 1 1 A 55 55 PRO CA C 52 62.176 62.639 -0.463 1
1 697 . 14 1 1 A 55 55 PRO HA H 52 4.417 4.647 -0.230 1
1 698 . 14 1 1 A 55 55 PRO CB C 52 31.347 31.681 -0.334 1
1 706 . 14 1 1 A 55 55 PRO C C 52 176.296 177.003 -0.707 1
1 707 . 14 1 1 A 56 56 VAL N N 53 109.933 125.151 -15.218 1
1 708 . 14 1 1 A 56 56 VAL H H 53 7.986 8.746 -0.760 1
1 709 . 14 1 1 A 56 56 VAL CA C 53 59.863 62.020 -2.157 1
1 710 . 14 1 1 A 56 56 VAL HA H 53 4.404 4.417 -0.013 1
1 711 . 14 1 1 A 56 56 VAL CB C 53 31.483 32.235 -0.752 1
1 721 . 14 1 1 A 56 56 VAL C C 53 175.074 176.136 -1.062 1
1 722 . 14 1 1 A 57 57 SER N N 54 114.614 117.168 -2.554 1
1 723 . 14 1 1 A 57 57 SER H H 54 7.304 7.786 -0.482 1
1 724 . 14 1 1 A 57 57 SER CA C 54 57.295 57.832 -0.537 1
1 725 . 14 1 1 A 57 57 SER HA H 54 4.363 4.667 -0.304 1
1 726 . 14 1 1 A 57 57 SER CB C 54 63.351 63.286 0.065 1
1 729 . 14 1 1 A 57 57 SER C C 54 174.225 174.393 -0.168 1
1 730 . 14 1 1 A 58 58 GLY N N 55 110.300 109.861 0.439 1
1 731 . 14 1 1 A 58 58 GLY H H 55 8.545 7.923 0.622 1
1 732 . 14 1 1 A 58 58 GLY CA C 55 43.806 44.685 -0.879 1
1 733 . 14 1 1 A 58 58 GLY HA2 H 55 4.009 4.001 0.008 1
1 734 . 14 1 1 A 58 58 GLY HA3 H 55 3.715 4.003 -0.288 1
1 735 . 14 1 1 A 58 58 GLY C C 55 172.483 172.953 -0.470 1
1 736 . 14 1 1 A 59 59 ARG N N 56 116.392 122.819 -6.427 1
1 737 . 14 1 1 A 59 59 ARG H H 56 7.913 8.108 -0.195 1
1 738 . 14 1 1 A 59 59 ARG CA C 56 54.769 54.631 0.138 1
1 739 . 14 1 1 A 59 59 ARG HA H 56 4.371 4.894 -0.523 1
1 740 . 14 1 1 A 59 59 ARG CB C 56 30.447 33.572 -3.125 1
1 752 . 14 1 1 A 59 59 ARG C C 56 176.019 176.315 -0.296 1
1 753 . 14 1 1 A 60 60 LYS N N 57 122.009 123.886 -1.877 1
1 754 . 14 1 1 A 60 60 LYS H H 57 8.811 8.743 0.068 1
1 755 . 14 1 1 A 60 60 LYS CA C 57 61.236 59.181 2.055 1
1 756 . 14 1 1 A 60 60 LYS HA H 57 3.606 4.032 -0.426 1
1 757 . 14 1 1 A 60 60 LYS CB C 57 32.419 31.939 0.480 1
1 769 . 14 1 1 A 60 60 LYS C C 57 176.824 178.144 -1.320 1
1 770 . 14 1 1 A 61 61 ALA N N 58 116.880 121.895 -5.015 1
1 771 . 14 1 1 A 61 61 ALA H H 58 8.794 7.823 0.971 1
1 772 . 14 1 1 A 61 61 ALA CA C 58 54.617 55.159 -0.542 1
1 773 . 14 1 1 A 61 61 ALA HA H 58 4.129 4.272 -0.143 1
1 777 . 14 1 1 A 61 61 ALA CB C 58 18.103 18.413 -0.310 1
1 778 . 14 1 1 A 61 61 ALA C C 58 179.574 180.322 -0.748 1
1 779 . 14 1 1 A 62 62 VAL N N 59 117.408 118.623 -1.215 1
1 780 . 14 1 1 A 62 62 VAL H H 59 7.047 7.776 -0.729 1
1 781 . 14 1 1 A 62 62 VAL CA C 59 64.864 67.007 -2.143 1
1 782 . 14 1 1 A 62 62 VAL HA H 59 3.701 3.505 0.196 1
1 783 . 14 1 1 A 62 62 VAL CB C 59 31.301 31.564 -0.263 1
1 793 . 14 1 1 A 62 62 VAL C C 59 178.103 178.081 0.022 1
1 794 . 14 1 1 A 63 63 LEU N N 60 119.573 119.401 0.172 1
1 795 . 14 1 1 A 63 63 LEU H H 60 7.585 8.317 -0.732 1
1 796 . 14 1 1 A 63 63 LEU CA C 60 57.571 58.274 -0.703 1
1 797 . 14 1 1 A 63 63 LEU HA H 60 3.923 3.826 0.097 1
1 798 . 14 1 1 A 63 63 LEU CB C 60 41.711 41.578 0.133 1
1 810 . 14 1 1 A 63 63 LEU C C 60 178.692 178.950 -0.258 1
1 811 . 14 1 1 A 64 64 GLN N N 61 114.206 117.298 -3.092 1
1 812 . 14 1 1 A 64 64 GLN H H 61 8.373 8.506 -0.133 1
1 813 . 14 1 1 A 64 64 GLN CA C 61 58.039 58.438 -0.399 1
1 814 . 14 1 1 A 64 64 GLN HA H 61 4.090 4.016 0.074 1
1 815 . 14 1 1 A 64 64 GLN CB C 61 28.670 28.553 0.117 1
1 821 . 14 1 1 A 64 64 GLN C C 61 178.207 177.368 0.839 1
1 822 . 14 1 1 A 65 65 ASP N N 62 118.671 120.435 -1.764 1
1 823 . 14 1 1 A 65 65 ASP H H 62 7.973 7.898 0.075 1
1 824 . 14 1 1 A 65 65 ASP CA C 62 56.961 57.406 -0.445 1
1 825 . 14 1 1 A 65 65 ASP HA H 62 4.353 4.488 -0.135 1
1 826 . 14 1 1 A 65 65 ASP CB C 62 39.856 40.455 -0.599 1
1 829 . 14 1 1 A 65 65 ASP C C 62 178.113 179.064 -0.951 1
1 830 . 14 1 1 A 66 66 LEU N N 63 119.708 120.779 -1.071 1
1 831 . 14 1 1 A 66 66 LEU H H 63 7.970 8.122 -0.152 1
1 832 . 14 1 1 A 66 66 LEU CA C 63 57.549 57.996 -0.447 1
1 833 . 14 1 1 A 66 66 LEU HA H 63 3.838 4.053 -0.215 1
1 834 . 14 1 1 A 66 66 LEU CB C 63 41.235 41.984 -0.749 1
1 847 . 14 1 1 A 66 66 LEU C C 63 180.041 178.975 1.066 1
1 848 . 14 1 1 A 67 67 ILE N N 64 118.309 119.107 -0.798 1
1 849 . 14 1 1 A 67 67 ILE H H 64 7.555 8.001 -0.446 1
1 850 . 14 1 1 A 67 67 ILE CA C 64 63.895 65.350 -1.455 1
1 851 . 14 1 1 A 67 67 ILE HA H 64 3.794 3.332 0.462 1
1 852 . 14 1 1 A 67 67 ILE CB C 64 37.181 37.668 -0.487 1
1 865 . 14 1 1 A 67 67 ILE C C 64 176.949 178.147 -1.198 1
1 866 . 14 1 1 A 68 68 ARG N N 65 122.359 120.537 1.822 1
1 867 . 14 1 1 A 68 68 ARG H H 65 9.489 8.284 1.205 1
1 868 . 14 1 1 A 68 68 ARG CA C 65 60.488 60.045 0.443 1
1 869 . 14 1 1 A 68 68 ARG HA H 65 3.692 3.899 -0.207 1
1 870 . 14 1 1 A 68 68 ARG CB C 65 29.897 30.280 -0.383 1
1 880 . 14 1 1 A 68 68 ARG C C 65 177.728 179.162 -1.434 1
1 881 . 14 1 1 A 69 69 ASN N N 66 116.248 116.240 0.008 1
1 882 . 14 1 1 A 69 69 ASN H H 66 8.546 8.521 0.025 1
1 883 . 14 1 1 A 69 69 ASN CA C 66 55.945 56.371 -0.426 1
1 884 . 14 1 1 A 69 69 ASN HA H 66 4.391 4.538 -0.147 1
1 885 . 14 1 1 A 69 69 ASN CB C 66 37.828 37.896 -0.068 1
1 891 . 14 1 1 A 69 69 ASN C C 66 176.520 178.614 -2.094 1
1 892 . 14 1 1 A 70 70 PHE N N 67 121.134 119.945 1.189 1
1 893 . 14 1 1 A 70 70 PHE H H 67 7.693 8.357 -0.664 1
1 894 . 14 1 1 A 70 70 PHE CA C 67 60.170 60.759 -0.589 1
1 895 . 14 1 1 A 70 70 PHE HA H 67 4.535 4.312 0.223 1
1 896 . 14 1 1 A 70 70 PHE CB C 67 39.838 38.752 1.086 1
1 902 . 14 1 1 A 70 70 PHE C C 67 177.756 178.416 -0.660 1
1 903 . 14 1 1 A 71 71 LEU N N 68 117.959 119.346 -1.387 1
1 904 . 14 1 1 A 71 71 LEU H H 68 8.336 8.626 -0.290 1
1 905 . 14 1 1 A 71 71 LEU CA C 68 57.468 57.880 -0.412 1
1 906 . 14 1 1 A 71 71 LEU HA H 68 3.828 4.039 -0.211 1
1 907 . 14 1 1 A 71 71 LEU CB C 68 42.156 41.498 0.658 1
1 919 . 14 1 1 A 71 71 LEU C C 68 178.037 179.392 -1.355 1
1 920 . 14 1 1 A 72 72 GLN N N 69 117.479 118.787 -1.308 1
1 921 . 14 1 1 A 72 72 GLN H H 69 8.802 8.233 0.569 1
1 922 . 14 1 1 A 72 72 GLN CA C 69 58.632 59.267 -0.635 1
1 923 . 14 1 1 A 72 72 GLN HA H 69 3.906 4.059 -0.153 1
1 924 . 14 1 1 A 72 72 GLN CB C 69 27.010 28.238 -1.228 1
1 933 . 14 1 1 A 72 72 GLN C C 69 179.337 177.788 1.549 1
1 934 . 14 1 1 A 73 73 ASN N N 70 117.551 117.051 0.500 1
1 935 . 14 1 1 A 73 73 ASN H H 70 8.124 8.286 -0.162 1
1 936 . 14 1 1 A 73 73 ASN CA C 70 54.051 54.930 -0.879 1
1 937 . 14 1 1 A 73 73 ASN HA H 70 4.602 4.520 0.082 1
1 938 . 14 1 1 A 73 73 ASN CB C 70 37.810 38.290 -0.480 1
1 944 . 14 1 1 A 73 73 ASN C C 70 175.490 177.712 -2.222 1
1 945 . 14 1 1 A 74 74 ALA N N 71 120.962 120.840 0.122 1
1 946 . 14 1 1 A 74 74 ALA H H 71 7.787 7.595 0.192 1
1 947 . 14 1 1 A 74 74 ALA CA C 71 53.143 54.169 -1.026 1
1 948 . 14 1 1 A 74 74 ALA HA H 71 4.193 4.057 0.136 1
1 952 . 14 1 1 A 74 74 ALA CB C 71 19.064 18.572 0.492 1
1 953 . 14 1 1 A 74 74 ALA C C 71 176.255 177.930 -1.675 1
1 954 . 14 1 1 A 75 75 LEU N N 72 112.822 111.149 1.673 1
1 955 . 14 1 1 A 75 75 LEU H H 72 7.381 7.506 -0.125 1
1 956 . 14 1 1 A 75 75 LEU CA C 72 52.987 53.585 -0.598 1
1 957 . 14 1 1 A 75 75 LEU HA H 72 4.305 4.500 -0.195 1
1 958 . 14 1 1 A 75 75 LEU CB C 72 41.490 41.980 -0.490 1
1 971 . 14 1 1 A 75 75 LEU C C 72 175.867 175.823 0.044 1
1 972 . 14 1 1 A 76 76 VAL N N 73 120.671 122.718 -2.047 1
1 973 . 14 1 1 A 76 76 VAL H H 73 6.797 8.017 -1.220 1
1 974 . 14 1 1 A 76 76 VAL CA C 73 62.994 60.373 2.621 1
1 975 . 14 1 1 A 76 76 VAL HA H 73 3.707 4.464 -0.757 1
1 976 . 14 1 1 A 76 76 VAL CB C 73 32.014 34.312 -2.298 1
1 986 . 14 1 1 A 76 76 VAL C C 73 176.144 175.898 0.246 1
1 987 . 14 1 1 A 77 77 VAL N N 74 128.303 126.030 2.273 1
1 988 . 14 1 1 A 77 77 VAL H H 74 8.407 8.517 -0.110 1
1 989 . 14 1 1 A 77 77 VAL CA C 74 64.673 65.160 -0.487 1
1 990 . 14 1 1 A 77 77 VAL HA H 74 3.651 3.503 0.148 1
1 991 . 14 1 1 A 77 77 VAL CB C 74 30.789 31.405 -0.616 1
1 1001 . 14 1 1 A 77 77 VAL C C 74 176.911 177.351 -0.440 1
1 1002 . 14 1 1 A 78 78 GLY N N 75 116.087 115.461 0.626 1
1 1003 . 14 1 1 A 78 78 GLY H H 75 8.827 8.960 -0.133 1
1 1004 . 14 1 1 A 78 78 GLY CA C 75 45.004 46.174 -1.170 1
1 1005 . 14 1 1 A 78 78 GLY HA2 H 75 4.236 3.938 0.298 1
1 1006 . 14 1 1 A 78 78 GLY HA3 H 75 3.738 3.944 -0.206 1
1 1007 . 14 1 1 A 78 78 GLY C C 75 173.779 174.321 -0.542 1
1 1008 . 14 1 1 A 79 79 LYS N N 76 121.612 120.403 1.209 1
1 1009 . 14 1 1 A 79 79 LYS H H 76 8.140 7.665 0.475 1
1 1010 . 14 1 1 A 79 79 LYS CA C 76 54.078 55.402 -1.324 1
1 1011 . 14 1 1 A 79 79 LYS HA H 76 4.588 4.487 0.101 1
1 1012 . 14 1 1 A 79 79 LYS CB C 76 32.708 33.419 -0.711 1
1 1024 . 14 1 1 A 79 79 LYS C C 76 175.177 175.257 -0.080 1
1 1025 . 14 1 1 A 80 80 SER N N 77 117.166 117.249 -0.083 1
1 1026 . 14 1 1 A 80 80 SER H H 77 8.241 7.667 0.574 1
1 1027 . 14 1 1 A 80 80 SER CA C 77 59.173 59.913 -0.740 1
1 1028 . 14 1 1 A 80 80 SER HA H 77 4.356 4.291 0.065 1
1 1029 . 14 1 1 A 80 80 SER CB C 77 63.288 63.717 -0.429 1
1 1032 . 14 1 1 A 80 80 SER C C 77 174.793 173.336 1.457 1
1 1033 . 14 1 1 A 81 81 ASP N N 78 118.775 124.649 -5.874 1
1 1034 . 14 1 1 A 81 81 ASP H H 78 8.506 8.906 -0.400 1
1 1035 . 14 1 1 A 81 81 ASP CA C 78 50.069 51.451 -1.382 1
1 1036 . 14 1 1 A 81 81 ASP HA H 78 5.423 5.005 0.418 1
1 1037 . 14 1 1 A 81 81 ASP CB C 78 41.498 41.416 0.082 1
1 1041 . 14 1 1 A 82 82 PRO CA C 79 63.656 64.350 -0.694 1
1 1042 . 14 1 1 A 82 82 PRO HA H 79 4.271 4.306 -0.035 1
1 1043 . 14 1 1 A 82 82 PRO CB C 79 31.303 31.779 -0.476 1
1 1051 . 14 1 1 A 82 82 PRO C C 79 178.645 177.957 0.688 1
1 1052 . 14 1 1 A 83 83 TYR N N 80 117.360 117.310 0.050 1
1 1053 . 14 1 1 A 83 83 TYR H H 80 7.561 7.371 0.190 1
1 1054 . 14 1 1 A 83 83 TYR CA C 80 59.635 61.590 -1.955 1
1 1055 . 14 1 1 A 83 83 TYR HA H 80 4.163 4.415 -0.252 1
1 1056 . 14 1 1 A 83 83 TYR CB C 80 35.602 38.529 -2.927 1
1 1065 . 14 1 1 A 83 83 TYR C C 80 176.904 178.780 -1.876 1
1 1066 . 14 1 1 A 84 84 ARG N N 81 120.833 118.312 2.521 1
1 1067 . 14 1 1 A 84 84 ARG H H 81 7.898 8.275 -0.377 1
1 1068 . 14 1 1 A 84 84 ARG CA C 81 58.332 59.095 -0.763 1
1 1069 . 14 1 1 A 84 84 ARG HA H 81 4.615 4.258 0.357 1
1 1070 . 14 1 1 A 84 84 ARG CB C 81 28.242 30.103 -1.861 1
1 1071 . 14 1 1 A 84 84 ARG C C 81 176.940 178.708 -1.768 1
1 1072 . 14 1 1 A 85 85 VAL N N 82 117.345 120.797 -3.452 1
1 1073 . 14 1 1 A 85 85 VAL H H 82 6.971 8.110 -1.139 1
1 1074 . 14 1 1 A 85 85 VAL CA C 82 65.663 66.968 -1.305 1
1 1075 . 14 1 1 A 85 85 VAL HA H 82 3.417 3.600 -0.183 1
1 1076 . 14 1 1 A 85 85 VAL CB C 82 31.165 31.639 -0.474 1
1 1085 . 14 1 1 A 85 85 VAL C C 82 176.601 177.757 -1.156 1
1 1086 . 14 1 1 A 86 86 GLN N N 83 117.137 120.385 -3.248 1
1 1087 . 14 1 1 A 86 86 GLN H H 83 7.536 8.527 -0.991 1
1 1088 . 14 1 1 A 86 86 GLN CA C 83 58.230 58.489 -0.259 1
1 1089 . 14 1 1 A 86 86 GLN HA H 83 3.953 4.168 -0.215 1
1 1090 . 14 1 1 A 86 86 GLN CB C 83 28.240 28.993 -0.753 1
1 1099 . 14 1 1 A 86 86 GLN C C 83 178.602 178.240 0.362 1
1 1100 . 14 1 1 A 87 87 ALA N N 84 121.452 122.272 -0.820 1
1 1101 . 14 1 1 A 87 87 ALA H H 84 8.843 7.937 0.906 1
1 1102 . 14 1 1 A 87 87 ALA CA C 84 54.905 55.248 -0.343 1
1 1103 . 14 1 1 A 87 87 ALA HA H 84 4.048 4.185 -0.137 1
1 1107 . 14 1 1 A 87 87 ALA CB C 84 18.088 18.725 -0.637 1
1 1108 . 14 1 1 A 87 87 ALA C C 84 178.498 180.027 -1.529 1
1 1109 . 14 1 1 A 88 88 VAL N N 85 117.570 118.348 -0.778 1
1 1110 . 14 1 1 A 88 88 VAL H H 85 8.515 8.378 0.137 1
1 1111 . 14 1 1 A 88 88 VAL CA C 85 67.315 66.626 0.689 1
1 1112 . 14 1 1 A 88 88 VAL HA H 85 3.764 3.464 0.300 1
1 1113 . 14 1 1 A 88 88 VAL CB C 85 30.610 31.617 -1.007 1
1 1123 . 14 1 1 A 88 88 VAL C C 85 177.138 177.808 -0.670 1
1 1124 . 14 1 1 A 89 89 LYS N N 86 120.005 120.531 -0.526 1
1 1125 . 14 1 1 A 89 89 LYS H H 86 8.612 8.570 0.042 1
1 1126 . 14 1 1 A 89 89 LYS CA C 86 60.851 59.561 1.290 1
1 1127 . 14 1 1 A 89 89 LYS HA H 86 3.827 3.977 -0.150 1
1 1128 . 14 1 1 A 89 89 LYS CB C 86 31.974 32.132 -0.158 1
1 1140 . 14 1 1 A 89 89 LYS C C 86 178.096 178.735 -0.639 1
1 1141 . 14 1 1 A 90 90 PHE N N 87 119.839 120.546 -0.707 1
1 1142 . 14 1 1 A 90 90 PHE H H 87 8.184 8.214 -0.030 1
1 1143 . 14 1 1 A 90 90 PHE CA C 87 60.604 61.349 -0.745 1
1 1144 . 14 1 1 A 90 90 PHE HA H 87 4.302 4.161 0.141 1
1 1145 . 14 1 1 A 90 90 PHE CB C 87 38.349 39.257 -0.908 1
1 1154 . 14 1 1 A 90 90 PHE C C 87 177.748 177.717 0.031 1
1 1155 . 14 1 1 A 91 91 LEU N N 88 118.977 119.482 -0.505 1
1 1156 . 14 1 1 A 91 91 LEU H H 88 8.604 8.545 0.059 1
1 1157 . 14 1 1 A 91 91 LEU CA C 88 58.058 58.456 -0.398 1
1 1158 . 14 1 1 A 91 91 LEU HA H 88 3.975 3.849 0.126 1
1 1159 . 14 1 1 A 91 91 LEU CB C 88 41.114 42.000 -0.886 1
1 1169 . 14 1 1 A 91 91 LEU C C 88 178.106 179.100 -0.994 1
1 1170 . 14 1 1 A 92 92 ILE N N 89 118.378 118.848 -0.470 1
1 1171 . 14 1 1 A 92 92 ILE H H 89 8.420 8.624 -0.204 1
1 1172 . 14 1 1 A 92 92 ILE CA C 89 65.761 65.620 0.141 1
1 1173 . 14 1 1 A 92 92 ILE HA H 89 3.542 3.512 0.030 1
1 1174 . 14 1 1 A 92 92 ILE CB C 89 37.372 37.818 -0.446 1
1 1184 . 14 1 1 A 92 92 ILE C C 89 176.952 178.021 -1.069 1
1 1185 . 14 1 1 A 93 93 GLU N N 90 120.262 120.688 -0.426 1
1 1186 . 14 1 1 A 93 93 GLU H H 90 8.133 8.236 -0.103 1
1 1187 . 14 1 1 A 93 93 GLU CA C 90 58.766 60.042 -1.276 1
1 1188 . 14 1 1 A 93 93 GLU HA H 90 4.038 3.862 0.176 1
1 1189 . 14 1 1 A 93 93 GLU CB C 90 28.466 29.021 -0.555 1
1 1195 . 14 1 1 A 93 93 GLU C C 90 178.689 178.231 0.458 1
1 1196 . 14 1 1 A 94 94 ARG N N 91 117.630 118.125 -0.495 1
1 1197 . 14 1 1 A 94 94 ARG H H 91 7.952 8.029 -0.077 1
1 1198 . 14 1 1 A 94 94 ARG CA C 91 58.343 58.946 -0.603 1
1 1199 . 14 1 1 A 94 94 ARG HA H 91 3.941 4.021 -0.080 1
1 1200 . 14 1 1 A 94 94 ARG CB C 91 29.048 29.983 -0.935 1
1 1215 . 14 1 1 A 94 94 ARG C C 91 178.875 178.865 0.010 1
1 1216 . 14 1 1 A 95 95 ILE N N 92 120.056 119.951 0.105 1
1 1217 . 14 1 1 A 95 95 ILE H H 92 8.225 8.199 0.026 1
1 1218 . 14 1 1 A 95 95 ILE CA C 92 63.296 65.376 -2.080 1
1 1219 . 14 1 1 A 95 95 ILE HA H 92 3.972 3.769 0.203 1
1 1220 . 14 1 1 A 95 95 ILE CB C 92 36.921 37.088 -0.167 1
1 1233 . 14 1 1 A 95 95 ILE C C 92 180.242 178.920 1.322 1
1 1234 . 14 1 1 A 96 96 ARG N N 93 121.023 120.107 0.916 1
1 1235 . 14 1 1 A 96 96 ARG H H 93 8.259 8.330 -0.071 1
1 1236 . 14 1 1 A 96 96 ARG CA C 93 58.401 58.697 -0.296 1
1 1237 . 14 1 1 A 96 96 ARG HA H 93 4.068 4.193 -0.125 1
1 1238 . 14 1 1 A 96 96 ARG CB C 93 29.474 30.353 -0.879 1
1 1254 . 14 1 1 A 96 96 ARG C C 93 177.500 177.096 0.404 1
1 1255 . 14 1 1 A 97 97 LYS N N 94 116.750 117.558 -0.808 1
1 1256 . 14 1 1 A 97 97 LYS H H 94 7.527 7.594 -0.067 1
1 1257 . 14 1 1 A 97 97 LYS CA C 94 55.282 55.707 -0.425 1
1 1258 . 14 1 1 A 97 97 LYS HA H 94 4.274 4.364 -0.090 1
1 1259 . 14 1 1 A 97 97 LYS CB C 94 32.112 33.796 -1.684 1
1 1271 . 14 1 1 A 97 97 LYS C C 94 174.901 175.758 -0.857 1
1 1272 . 14 1 1 A 98 98 ASN N N 95 116.979 116.451 0.528 1
1 1273 . 14 1 1 A 98 98 ASN H H 95 8.150 8.069 0.081 1
1 1274 . 14 1 1 A 98 98 ASN CA C 95 53.822 54.286 -0.464 1
1 1275 . 14 1 1 A 98 98 ASN HA H 95 4.370 4.254 0.116 1
1 1276 . 14 1 1 A 98 98 ASN CB C 95 36.674 37.312 -0.638 1
1 1282 . 14 1 1 A 98 98 ASN C C 95 173.779 173.926 -0.147 1
1 1283 . 14 1 1 A 99 99 GLU N N 96 118.529 117.807 0.722 1
1 1284 . 14 1 1 A 99 99 GLU H H 96 8.236 7.759 0.477 1
1 1285 . 14 1 1 A 99 99 GLU CA C 96 52.891 53.129 -0.238 1
1 1286 . 14 1 1 A 99 99 GLU HA H 96 4.673 4.796 -0.123 1
1 1287 . 14 1 1 A 99 99 GLU CB C 96 30.358 30.727 -0.369 1
1 1292 . 14 1 1 A 100 100 PRO CA C 97 62.037 62.770 -0.733 1
1 1293 . 14 1 1 A 100 100 PRO HA H 97 4.272 4.593 -0.321 1
1 1294 . 14 1 1 A 100 100 PRO CB C 97 31.609 32.379 -0.770 1
1 1302 . 14 1 1 A 100 100 PRO C C 97 176.184 177.272 -1.088 1
1 1303 . 14 1 1 A 101 101 LEU N N 98 122.794 123.550 -0.756 1
1 1304 . 14 1 1 A 101 101 LEU H H 98 8.832 8.396 0.436 1
1 1305 . 14 1 1 A 101 101 LEU CA C 98 52.524 53.030 -0.506 1
1 1306 . 14 1 1 A 101 101 LEU HA H 98 4.654 4.723 -0.069 1
1 1307 . 14 1 1 A 101 101 LEU CB C 98 40.422 41.349 -0.927 1
1 1321 . 14 1 1 A 102 102 PRO CA C 99 61.075 62.193 -1.118 1
1 1322 . 14 1 1 A 102 102 PRO HA H 99 4.629 4.619 0.010 1
1 1323 . 14 1 1 A 102 102 PRO CB C 99 31.778 32.901 -1.123 1
1 1328 . 14 1 1 A 102 102 PRO C C 99 174.604 176.224 -1.620 1
1 1329 . 14 1 1 A 103 103 VAL N N 100 120.834 120.954 -0.120 1
1 1330 . 14 1 1 A 103 103 VAL H H 100 8.661 8.539 0.122 1
1 1331 . 14 1 1 A 103 103 VAL CA C 100 62.977 62.598 0.379 1
1 1332 . 14 1 1 A 103 103 VAL HA H 100 3.860 4.170 -0.310 1
1 1333 . 14 1 1 A 103 103 VAL CB C 100 31.731 31.871 -0.140 1
1 1342 . 14 1 1 A 103 103 VAL C C 100 177.396 176.464 0.932 1
1 1343 . 14 1 1 A 104 104 TYR N N 101 129.973 126.662 3.311 1
1 1344 . 14 1 1 A 104 104 TYR H H 101 8.487 9.223 -0.736 1
1 1345 . 14 1 1 A 104 104 TYR CA C 101 62.855 61.978 0.877 1
1 1346 . 14 1 1 A 104 104 TYR HA H 101 3.802 4.085 -0.283 1
1 1347 . 14 1 1 A 104 104 TYR CB C 101 38.429 38.970 -0.541 1
1 1356 . 14 1 1 A 104 104 TYR C C 101 175.877 177.628 -1.751 1
1 1357 . 14 1 1 A 105 105 LYS N N 102 117.165 119.136 -1.971 1
1 1358 . 14 1 1 A 105 105 LYS H H 102 8.848 8.170 0.678 1
1 1359 . 14 1 1 A 105 105 LYS CA C 102 59.343 59.437 -0.094 1
1 1360 . 14 1 1 A 105 105 LYS HA H 102 3.810 3.921 -0.111 1
1 1361 . 14 1 1 A 105 105 LYS CB C 102 31.739 32.252 -0.513 1
1 1373 . 14 1 1 A 105 105 LYS C C 102 177.370 178.025 -0.655 1
1 1374 . 14 1 1 A 106 106 ASP N N 103 117.011 120.155 -3.144 1
1 1375 . 14 1 1 A 106 106 ASP H H 103 6.781 8.188 -1.407 1
1 1376 . 14 1 1 A 106 106 ASP CA C 103 56.155 57.713 -1.558 1
1 1377 . 14 1 1 A 106 106 ASP HA H 103 4.454 4.283 0.171 1
1 1378 . 14 1 1 A 106 106 ASP CB C 103 39.467 41.608 -2.141 1
1 1381 . 14 1 1 A 106 106 ASP C C 103 178.180 178.080 0.100 1
1 1382 . 14 1 1 A 107 107 LEU N N 104 124.145 119.815 4.330 1
1 1383 . 14 1 1 A 107 107 LEU H H 104 7.687 8.348 -0.661 1
1 1384 . 14 1 1 A 107 107 LEU CA C 104 56.938 58.108 -1.170 1
1 1385 . 14 1 1 A 107 107 LEU HA H 104 4.000 3.890 0.110 1
1 1386 . 14 1 1 A 107 107 LEU CB C 104 41.707 41.683 0.024 1
1 1399 . 14 1 1 A 107 107 LEU C C 104 176.403 178.748 -2.345 1
1 1400 . 14 1 1 A 108 108 TRP N N 105 120.039 120.630 -0.591 1
1 1401 . 14 1 1 A 108 108 TRP H H 105 9.072 8.289 0.783 1
1 1402 . 14 1 1 A 108 108 TRP CA C 105 62.392 60.769 1.623 1
1 1403 . 14 1 1 A 108 108 TRP HA H 105 3.547 4.015 -0.468 1
1 1404 . 14 1 1 A 108 108 TRP CB C 105 28.316 29.369 -1.053 1
1 1415 . 14 1 1 A 108 108 TRP C C 105 176.983 178.442 -1.459 1
1 1416 . 14 1 1 A 109 109 ASN N N 106 113.557 117.232 -3.675 1
1 1417 . 14 1 1 A 109 109 ASN H H 106 8.058 8.246 -0.188 1
1 1418 . 14 1 1 A 109 109 ASN CA C 106 55.662 55.921 -0.259 1
1 1419 . 14 1 1 A 109 109 ASN HA H 106 3.994 3.974 0.020 1
1 1420 . 14 1 1 A 109 109 ASN CB C 106 37.973 37.744 0.229 1
1 1426 . 14 1 1 A 109 109 ASN C C 106 176.928 177.454 -0.526 1
1 1427 . 14 1 1 A 110 110 ALA N N 107 121.997 122.455 -0.458 1
1 1428 . 14 1 1 A 110 110 ALA H H 107 7.718 8.344 -0.626 1
1 1429 . 14 1 1 A 110 110 ALA CA C 107 54.261 55.041 -0.780 1
1 1430 . 14 1 1 A 110 110 ALA HA H 107 3.979 4.047 -0.068 1
1 1434 . 14 1 1 A 110 110 ALA CB C 107 17.322 18.268 -0.946 1
1 1435 . 14 1 1 A 110 110 ALA C C 107 180.452 180.179 0.273 1
1 1436 . 14 1 1 A 111 111 LEU N N 108 119.150 117.860 1.290 1
1 1437 . 14 1 1 A 111 111 LEU H H 108 8.200 8.528 -0.328 1
1 1438 . 14 1 1 A 111 111 LEU CA C 108 56.264 57.539 -1.275 1
1 1439 . 14 1 1 A 111 111 LEU HA H 108 3.857 4.045 -0.188 1
1 1440 . 14 1 1 A 111 111 LEU CB C 108 41.134 41.149 -0.015 1
1 1453 . 14 1 1 A 111 111 LEU C C 108 178.144 179.169 -1.025 1
1 1454 . 14 1 1 A 112 112 ARG N N 109 117.178 119.301 -2.123 1
1 1455 . 14 1 1 A 112 112 ARG H H 109 7.365 8.146 -0.781 1
1 1456 . 14 1 1 A 112 112 ARG CA C 109 56.443 59.623 -3.180 1
1 1457 . 14 1 1 A 112 112 ARG HA H 109 2.642 3.971 -1.329 1
1 1458 . 14 1 1 A 112 112 ARG CB C 109 28.901 29.604 -0.703 1
1 1469 . 14 1 1 A 112 112 ARG C C 109 176.348 178.865 -2.517 1
1 1470 . 14 1 1 A 113 113 LYS N N 110 118.628 119.299 -0.671 1
1 1471 . 14 1 1 A 113 113 LYS H H 110 7.145 7.946 -0.801 1
1 1472 . 14 1 1 A 113 113 LYS CA C 110 56.410 58.186 -1.776 1
1 1473 . 14 1 1 A 113 113 LYS HA H 110 4.018 4.106 -0.088 1
1 1474 . 14 1 1 A 113 113 LYS CB C 110 32.091 32.025 0.066 1
1 1486 . 14 1 1 A 113 113 LYS C C 110 176.164 179.344 -3.180 1
1 5 . 15 1 1 A 2 2 SER N N -2 115.414 114.745 0.669 1
1 6 . 15 1 1 A 2 2 SER H H -2 8.737 8.285 0.452 1
1 7 . 15 1 1 A 2 2 SER CA C -2 57.710 59.199 -1.489 1
1 8 . 15 1 1 A 2 2 SER HA H -2 4.446 4.821 -0.375 1
1 9 . 15 1 1 A 2 2 SER CB C -2 63.365 65.051 -1.686 1
1 12 . 15 1 1 A 2 2 SER C C -2 173.826 174.216 -0.390 1
1 40 . 15 1 1 A 5 5 ILE N N 2 122.114 114.222 7.892 1
1 41 . 15 1 1 A 5 5 ILE H H 2 8.292 7.824 0.468 1
1 42 . 15 1 1 A 5 5 ILE CA C 2 60.568 62.086 -1.518 1
1 43 . 15 1 1 A 5 5 ILE HA H 2 4.102 3.993 0.109 1
1 44 . 15 1 1 A 5 5 ILE CB C 2 38.417 36.989 1.428 1
1 57 . 15 1 1 A 5 5 ILE C C 2 174.970 175.255 -0.285 1
1 58 . 15 1 1 A 6 6 ASN N N 3 122.794 124.192 -1.398 1
1 59 . 15 1 1 A 6 6 ASN H H 3 8.636 8.585 0.051 1
1 60 . 15 1 1 A 6 6 ASN CA C 3 52.274 51.681 0.593 1
1 61 . 15 1 1 A 6 6 ASN HA H 3 4.712 5.505 -0.793 1
1 62 . 15 1 1 A 6 6 ASN CB C 3 38.194 39.870 -1.676 1
1 68 . 15 1 1 A 6 6 ASN C C 3 174.766 176.096 -1.330 1
1 69 . 15 1 1 A 7 7 LEU N N 4 123.220 122.719 0.501 1
1 70 . 15 1 1 A 7 7 LEU H H 4 8.484 8.575 -0.091 1
1 71 . 15 1 1 A 7 7 LEU CA C 4 55.359 57.860 -2.501 1
1 72 . 15 1 1 A 7 7 LEU HA H 4 4.197 4.118 0.079 1
1 73 . 15 1 1 A 7 7 LEU CB C 4 41.461 41.542 -0.081 1
1 86 . 15 1 1 A 7 7 LEU C C 4 177.248 178.646 -1.398 1
1 87 . 15 1 1 A 8 8 GLU N N 5 119.354 118.454 0.900 1
1 88 . 15 1 1 A 8 8 GLU H H 5 8.455 8.143 0.312 1
1 89 . 15 1 1 A 8 8 GLU CA C 5 56.589 58.601 -2.012 1
1 90 . 15 1 1 A 8 8 GLU HA H 5 4.091 4.304 -0.213 1
1 91 . 15 1 1 A 8 8 GLU CB C 5 29.275 29.663 -0.388 1
1 97 . 15 1 1 A 8 8 GLU C C 5 175.981 177.044 -1.063 1
1 98 . 15 1 1 A 9 9 ASP N N 6 119.780 119.362 0.418 1
1 99 . 15 1 1 A 9 9 ASP H H 6 8.136 8.237 -0.101 1
1 100 . 15 1 1 A 9 9 ASP CA C 6 53.931 53.577 0.354 1
1 101 . 15 1 1 A 9 9 ASP HA H 6 4.492 4.980 -0.488 1
1 102 . 15 1 1 A 9 9 ASP CB C 6 40.360 42.167 -1.807 1
1 105 . 15 1 1 A 9 9 ASP C C 6 175.397 176.046 -0.649 1
1 106 . 15 1 1 A 10 10 TYR N N 7 119.939 120.160 -0.221 1
1 107 . 15 1 1 A 10 10 TYR H H 7 7.902 7.835 0.067 1
1 108 . 15 1 1 A 10 10 TYR CA C 7 57.667 58.861 -1.194 1
1 109 . 15 1 1 A 10 10 TYR HA H 7 4.431 4.862 -0.431 1
1 110 . 15 1 1 A 10 10 TYR CB C 7 38.236 39.757 -1.521 1
1 119 . 15 1 1 A 10 10 TYR C C 7 174.898 176.815 -1.917 1
1 120 . 15 1 1 A 11 11 TRP N N 8 122.648 119.081 3.567 1
1 121 . 15 1 1 A 11 11 TRP H H 8 7.917 7.925 -0.008 1
1 122 . 15 1 1 A 11 11 TRP CA C 8 56.562 60.281 -3.719 1
1 123 . 15 1 1 A 11 11 TRP HA H 8 4.578 4.309 0.269 1
1 124 . 15 1 1 A 11 11 TRP CB C 8 29.293 29.123 0.170 1
1 139 . 15 1 1 A 11 11 TRP C C 8 175.212 176.271 -1.059 1
1 140 . 15 1 1 A 12 12 GLU N N 9 122.189 117.952 4.237 1
1 141 . 15 1 1 A 12 12 GLU H H 9 8.030 7.822 0.208 1
1 142 . 15 1 1 A 12 12 GLU CA C 9 55.743 54.492 1.251 1
1 143 . 15 1 1 A 12 12 GLU HA H 9 4.137 4.825 -0.688 1
1 144 . 15 1 1 A 12 12 GLU CB C 9 30.001 33.046 -3.045 1
1 150 . 15 1 1 A 12 12 GLU C C 9 175.138 175.481 -0.343 1
1 151 . 15 1 1 A 13 13 ASP N N 10 121.099 120.990 0.109 1
1 152 . 15 1 1 A 13 13 ASP H H 10 8.253 8.706 -0.453 1
1 153 . 15 1 1 A 13 13 ASP CA C 10 53.843 53.815 0.028 1
1 154 . 15 1 1 A 13 13 ASP HA H 10 4.500 4.940 -0.440 1
1 155 . 15 1 1 A 13 13 ASP CB C 10 40.715 40.794 -0.079 1
1 158 . 15 1 1 A 13 13 ASP C C 10 175.700 175.060 0.640 1
1 159 . 15 1 1 A 14 14 GLU N N 11 121.240 115.731 5.509 1
1 160 . 15 1 1 A 14 14 GLU H H 11 8.435 8.067 0.368 1
1 161 . 15 1 1 A 14 14 GLU CA C 11 55.858 57.504 -1.646 1
1 162 . 15 1 1 A 14 14 GLU HA H 11 4.289 3.915 0.374 1
1 163 . 15 1 1 A 14 14 GLU CB C 11 29.758 27.557 2.201 1
1 169 . 15 1 1 A 14 14 GLU C C 11 176.002 175.209 0.793 1
1 170 . 15 1 1 A 15 15 THR N N 12 118.367 112.091 6.276 1
1 171 . 15 1 1 A 15 15 THR H H 12 8.407 7.956 0.451 1
1 172 . 15 1 1 A 15 15 THR CA C 12 59.646 59.842 -0.196 1
1 173 . 15 1 1 A 15 15 THR HA H 12 4.503 4.532 -0.029 1
1 174 . 15 1 1 A 15 15 THR CB C 12 69.084 69.153 -0.069 1
1 181 . 15 1 1 A 16 16 PRO CA C 13 62.791 63.315 -0.524 1
1 182 . 15 1 1 A 16 16 PRO HA H 13 4.408 4.312 0.096 1
1 183 . 15 1 1 A 16 16 PRO CB C 13 31.771 32.571 -0.800 1
1 191 . 15 1 1 A 16 16 PRO C C 13 176.689 177.125 -0.436 1
1 192 . 15 1 1 A 17 17 GLY N N 14 109.540 110.321 -0.781 1
1 193 . 15 1 1 A 17 17 GLY H H 14 8.423 8.791 -0.368 1
1 194 . 15 1 1 A 17 17 GLY CA C 14 44.219 46.423 -2.204 1
1 195 . 15 1 1 A 17 17 GLY HA2 H 14 4.010 3.999 0.011 1
1 196 . 15 1 1 A 17 17 GLY HA3 H 14 4.159 4.000 0.159 1
1 198 . 15 1 1 A 18 18 PRO CA C 15 62.843 62.675 0.168 1
1 199 . 15 1 1 A 18 18 PRO HA H 15 4.412 4.628 -0.216 1
1 200 . 15 1 1 A 18 18 PRO CB C 15 31.667 32.985 -1.318 1
1 208 . 15 1 1 A 18 18 PRO C C 15 176.447 175.739 0.708 1
1 209 . 15 1 1 A 19 19 ASP N N 16 119.197 121.770 -2.573 1
1 210 . 15 1 1 A 19 19 ASP H H 16 8.517 8.600 -0.083 1
1 211 . 15 1 1 A 19 19 ASP CA C 16 53.940 53.048 0.892 1
1 212 . 15 1 1 A 19 19 ASP HA H 16 4.559 4.885 -0.326 1
1 213 . 15 1 1 A 19 19 ASP CB C 16 40.180 41.981 -1.801 1
1 216 . 15 1 1 A 19 19 ASP C C 16 175.764 175.674 0.090 1
1 217 . 15 1 1 A 20 20 ARG N N 17 120.435 117.352 3.083 1
1 218 . 15 1 1 A 20 20 ARG H H 17 8.201 8.045 0.156 1
1 219 . 15 1 1 A 20 20 ARG CA C 17 55.216 57.473 -2.257 1
1 220 . 15 1 1 A 20 20 ARG HA H 17 4.356 3.832 0.524 1
1 221 . 15 1 1 A 20 20 ARG CB C 17 30.184 29.539 0.645 1
1 237 . 15 1 1 A 20 20 ARG C C 17 175.724 174.671 1.053 1
1 238 . 15 1 1 A 21 21 GLU N N 18 122.477 119.172 3.305 1
1 239 . 15 1 1 A 21 21 GLU H H 18 8.371 7.999 0.372 1
1 240 . 15 1 1 A 21 21 GLU CA C 18 53.658 53.084 0.574 1
1 241 . 15 1 1 A 21 21 GLU HA H 18 4.657 4.537 0.120 1
1 242 . 15 1 1 A 21 21 GLU CB C 18 28.984 30.042 -1.058 1
1 249 . 15 1 1 A 22 22 PRO CA C 19 62.442 63.001 -0.559 1
1 250 . 15 1 1 A 22 22 PRO HA H 19 4.516 4.724 -0.208 1
1 251 . 15 1 1 A 22 22 PRO CB C 19 31.903 31.721 0.182 1
1 259 . 15 1 1 A 22 22 PRO C C 19 176.323 176.085 0.238 1
1 260 . 15 1 1 A 23 23 THR N N 20 112.531 118.615 -6.084 1
1 261 . 15 1 1 A 23 23 THR H H 20 7.946 8.671 -0.725 1
1 262 . 15 1 1 A 23 23 THR CA C 20 60.521 60.698 -0.177 1
1 263 . 15 1 1 A 23 23 THR HA H 20 4.373 4.754 -0.381 1
1 264 . 15 1 1 A 23 23 THR CB C 20 70.238 72.174 -1.936 1
1 270 . 15 1 1 A 23 23 THR C C 20 174.678 174.853 -0.175 1
1 271 . 15 1 1 A 24 24 ASN N N 21 120.631 122.787 -2.156 1
1 272 . 15 1 1 A 24 24 ASN H H 21 8.958 9.034 -0.076 1
1 273 . 15 1 1 A 24 24 ASN CA C 21 54.854 57.031 -2.177 1
1 274 . 15 1 1 A 24 24 ASN HA H 21 4.467 4.275 0.192 1
1 275 . 15 1 1 A 24 24 ASN CB C 21 37.535 37.657 -0.122 1
1 281 . 15 1 1 A 24 24 ASN C C 21 176.397 177.662 -1.265 1
1 282 . 15 1 1 A 25 25 GLU N N 22 120.237 118.806 1.431 1
1 283 . 15 1 1 A 25 25 GLU H H 22 8.644 8.222 0.422 1
1 284 . 15 1 1 A 25 25 GLU CA C 22 59.195 58.861 0.334 1
1 285 . 15 1 1 A 25 25 GLU HA H 22 4.076 4.136 -0.060 1
1 286 . 15 1 1 A 25 25 GLU CB C 22 28.567 29.460 -0.893 1
1 292 . 15 1 1 A 25 25 GLU C C 22 177.942 178.710 -0.768 1
1 293 . 15 1 1 A 26 26 LEU N N 23 122.376 121.289 1.087 1
1 294 . 15 1 1 A 26 26 LEU H H 23 8.109 8.094 0.015 1
1 295 . 15 1 1 A 26 26 LEU CA C 23 56.940 58.183 -1.243 1
1 296 . 15 1 1 A 26 26 LEU HA H 23 4.247 3.977 0.270 1
1 297 . 15 1 1 A 26 26 LEU CB C 23 40.425 41.842 -1.417 1
1 310 . 15 1 1 A 26 26 LEU C C 23 178.298 178.231 0.067 1
1 311 . 15 1 1 A 27 27 ARG N N 24 118.606 118.171 0.435 1
1 312 . 15 1 1 A 27 27 ARG H H 24 8.225 8.057 0.168 1
1 313 . 15 1 1 A 27 27 ARG CA C 24 59.892 58.913 0.979 1
1 314 . 15 1 1 A 27 27 ARG HA H 24 3.875 4.020 -0.145 1
1 315 . 15 1 1 A 27 27 ARG CB C 24 28.853 29.695 -0.842 1
1 331 . 15 1 1 A 27 27 ARG C C 24 178.374 178.538 -0.164 1
1 332 . 15 1 1 A 28 28 ASN N N 25 117.812 118.528 -0.716 1
1 333 . 15 1 1 A 28 28 ASN H H 25 8.146 8.175 -0.029 1
1 334 . 15 1 1 A 28 28 ASN CA C 25 55.753 56.550 -0.797 1
1 335 . 15 1 1 A 28 28 ASN HA H 25 4.452 4.455 -0.003 1
1 336 . 15 1 1 A 28 28 ASN CB C 25 37.388 38.974 -1.586 1
1 342 . 15 1 1 A 28 28 ASN C C 25 177.043 177.906 -0.863 1
1 343 . 15 1 1 A 29 29 GLU N N 26 121.177 118.234 2.943 1
1 344 . 15 1 1 A 29 29 GLU H H 26 8.247 8.492 -0.245 1
1 345 . 15 1 1 A 29 29 GLU CA C 26 58.897 58.781 0.116 1
1 346 . 15 1 1 A 29 29 GLU HA H 26 4.075 4.099 -0.024 1
1 347 . 15 1 1 A 29 29 GLU CB C 26 29.202 29.490 -0.288 1
1 353 . 15 1 1 A 29 29 GLU C C 26 180.215 179.597 0.618 1
1 354 . 15 1 1 A 30 30 VAL N N 27 123.509 121.408 2.101 1
1 355 . 15 1 1 A 30 30 VAL H H 27 8.793 7.684 1.109 1
1 356 . 15 1 1 A 30 30 VAL CA C 27 68.051 66.723 1.328 1
1 357 . 15 1 1 A 30 30 VAL HA H 27 3.413 3.860 -0.447 1
1 358 . 15 1 1 A 30 30 VAL CB C 27 31.196 31.508 -0.312 1
1 368 . 15 1 1 A 30 30 VAL C C 27 176.589 178.099 -1.510 1
1 369 . 15 1 1 A 31 31 GLU N N 28 119.159 118.758 0.401 1
1 370 . 15 1 1 A 31 31 GLU H H 28 8.042 8.302 -0.260 1
1 371 . 15 1 1 A 31 31 GLU CA C 28 59.379 59.674 -0.295 1
1 372 . 15 1 1 A 31 31 GLU HA H 28 3.946 3.993 -0.047 1
1 373 . 15 1 1 A 31 31 GLU CB C 28 28.603 29.363 -0.760 1
1 379 . 15 1 1 A 31 31 GLU C C 28 179.282 178.973 0.309 1
1 380 . 15 1 1 A 32 32 GLU N N 29 118.871 118.544 0.327 1
1 381 . 15 1 1 A 32 32 GLU H H 29 8.550 8.217 0.333 1
1 382 . 15 1 1 A 32 32 GLU CA C 29 58.770 59.049 -0.279 1
1 383 . 15 1 1 A 32 32 GLU HA H 29 4.056 4.107 -0.051 1
1 384 . 15 1 1 A 32 32 GLU CB C 29 29.214 29.306 -0.092 1
1 390 . 15 1 1 A 32 32 GLU C C 29 178.791 178.300 0.491 1
1 391 . 15 1 1 A 33 33 THR N N 30 117.719 112.164 5.555 1
1 392 . 15 1 1 A 33 33 THR H H 30 8.205 8.079 0.126 1
1 393 . 15 1 1 A 33 33 THR CA C 30 67.465 65.835 1.630 1
1 394 . 15 1 1 A 33 33 THR HA H 30 3.816 4.027 -0.211 1
1 395 . 15 1 1 A 33 33 THR CB C 30 66.888 68.280 -1.392 1
1 401 . 15 1 1 A 33 33 THR C C 30 175.681 177.727 -2.046 1
1 402 . 15 1 1 A 34 34 ILE N N 31 123.925 123.121 0.804 1
1 403 . 15 1 1 A 34 34 ILE H H 31 8.698 7.912 0.786 1
1 404 . 15 1 1 A 34 34 ILE CA C 31 66.438 64.721 1.717 1
1 405 . 15 1 1 A 34 34 ILE HA H 31 3.442 3.708 -0.266 1
1 406 . 15 1 1 A 34 34 ILE CB C 31 37.311 37.685 -0.374 1
1 416 . 15 1 1 A 34 34 ILE C C 31 176.731 178.201 -1.470 1
1 417 . 15 1 1 A 35 35 THR N N 32 116.478 118.497 -2.019 1
1 418 . 15 1 1 A 35 35 THR H H 32 7.956 8.091 -0.135 1
1 419 . 15 1 1 A 35 35 THR CA C 32 66.447 67.243 -0.796 1
1 420 . 15 1 1 A 35 35 THR HA H 32 3.929 3.915 0.014 1
1 421 . 15 1 1 A 35 35 THR CB C 32 67.964 68.004 -0.040 1
1 427 . 15 1 1 A 35 35 THR C C 32 176.226 177.020 -0.794 1
1 428 . 15 1 1 A 36 36 LEU N N 33 119.834 120.623 -0.789 1
1 429 . 15 1 1 A 36 36 LEU H H 33 7.663 8.391 -0.728 1
1 430 . 15 1 1 A 36 36 LEU CA C 33 57.274 57.878 -0.604 1
1 431 . 15 1 1 A 36 36 LEU HA H 33 4.075 4.014 0.061 1
1 432 . 15 1 1 A 36 36 LEU CB C 33 42.188 41.333 0.855 1
1 445 . 15 1 1 A 36 36 LEU C C 33 179.412 179.919 -0.507 1
1 446 . 15 1 1 A 37 37 MET N N 34 119.993 117.861 2.132 1
1 447 . 15 1 1 A 37 37 MET H H 34 8.509 8.665 -0.156 1
1 448 . 15 1 1 A 37 37 MET CA C 34 57.865 58.127 -0.262 1
1 449 . 15 1 1 A 37 37 MET HA H 34 3.865 4.195 -0.330 1
1 450 . 15 1 1 A 37 37 MET CB C 34 28.735 32.438 -3.703 1
1 460 . 15 1 1 A 37 37 MET C C 34 178.772 178.096 0.676 1
1 461 . 15 1 1 A 38 38 GLU N N 35 120.011 120.751 -0.740 1
1 462 . 15 1 1 A 38 38 GLU H H 35 8.321 8.285 0.036 1
1 463 . 15 1 1 A 38 38 GLU CA C 35 58.442 58.883 -0.441 1
1 464 . 15 1 1 A 38 38 GLU HA H 35 3.928 4.085 -0.157 1
1 465 . 15 1 1 A 38 38 GLU CB C 35 28.943 29.615 -0.672 1
1 471 . 15 1 1 A 38 38 GLU C C 35 176.040 177.880 -1.840 1
1 472 . 15 1 1 A 39 39 LEU N N 36 118.349 117.789 0.560 1
1 473 . 15 1 1 A 39 39 LEU H H 36 7.441 7.317 0.124 1
1 474 . 15 1 1 A 39 39 LEU CA C 36 54.614 54.175 0.439 1
1 475 . 15 1 1 A 39 39 LEU HA H 36 4.393 4.497 -0.104 1
1 476 . 15 1 1 A 39 39 LEU CB C 36 42.210 41.465 0.745 1
1 489 . 15 1 1 A 39 39 LEU C C 36 178.113 176.307 1.806 1
1 490 . 15 1 1 A 40 40 LEU N N 37 118.362 121.737 -3.375 1
1 491 . 15 1 1 A 40 40 LEU H H 37 7.464 7.531 -0.067 1
1 492 . 15 1 1 A 40 40 LEU CA C 37 54.659 55.419 -0.760 1
1 493 . 15 1 1 A 40 40 LEU HA H 37 4.400 4.273 0.127 1
1 494 . 15 1 1 A 40 40 LEU CB C 37 40.993 42.165 -1.172 1
1 507 . 15 1 1 A 40 40 LEU C C 37 177.827 175.840 1.987 1
1 508 . 15 1 1 A 41 41 LYS N N 38 120.851 120.463 0.388 1
1 509 . 15 1 1 A 41 41 LYS H H 38 9.254 8.523 0.731 1
1 510 . 15 1 1 A 41 41 LYS CA C 38 54.727 54.118 0.609 1
1 511 . 15 1 1 A 41 41 LYS HA H 38 4.572 4.881 -0.309 1
1 512 . 15 1 1 A 41 41 LYS CB C 38 33.768 35.497 -1.729 1
1 524 . 15 1 1 A 41 41 LYS C C 38 177.911 177.263 0.648 1
1 525 . 15 1 1 A 42 42 VAL N N 39 122.215 122.702 -0.487 1
1 526 . 15 1 1 A 42 42 VAL H H 39 9.039 8.753 0.286 1
1 527 . 15 1 1 A 42 42 VAL CA C 39 67.408 65.286 2.122 1
1 528 . 15 1 1 A 42 42 VAL HA H 39 3.699 3.726 -0.027 1
1 529 . 15 1 1 A 42 42 VAL CB C 39 31.056 31.718 -0.662 1
1 539 . 15 1 1 A 42 42 VAL C C 39 176.560 177.317 -0.757 1
1 540 . 15 1 1 A 43 43 SER N N 40 114.377 117.340 -2.963 1
1 541 . 15 1 1 A 43 43 SER H H 40 8.686 8.162 0.524 1
1 542 . 15 1 1 A 43 43 SER CA C 40 61.144 61.945 -0.801 1
1 543 . 15 1 1 A 43 43 SER HA H 40 3.933 4.032 -0.099 1
1 544 . 15 1 1 A 43 43 SER CB C 40 60.933 62.796 -1.863 1
1 547 . 15 1 1 A 43 43 SER C C 40 175.910 176.770 -0.860 1
1 548 . 15 1 1 A 44 44 GLU N N 41 122.833 122.947 -0.114 1
1 549 . 15 1 1 A 44 44 GLU H H 41 6.661 7.744 -1.083 1
1 550 . 15 1 1 A 44 44 GLU CA C 41 57.315 59.133 -1.818 1
1 551 . 15 1 1 A 44 44 GLU HA H 41 4.363 4.075 0.288 1
1 552 . 15 1 1 A 44 44 GLU CB C 41 30.399 29.677 0.722 1
1 558 . 15 1 1 A 44 44 GLU C C 41 178.185 179.458 -1.273 1
1 559 . 15 1 1 A 45 45 LEU N N 42 119.110 120.141 -1.031 1
1 560 . 15 1 1 A 45 45 LEU H H 42 8.393 8.437 -0.044 1
1 561 . 15 1 1 A 45 45 LEU CA C 42 57.359 57.721 -0.362 1
1 562 . 15 1 1 A 45 45 LEU HA H 42 3.918 3.924 -0.006 1
1 563 . 15 1 1 A 45 45 LEU CB C 42 42.476 41.640 0.836 1
1 576 . 15 1 1 A 45 45 LEU C C 42 179.735 179.297 0.438 1
1 577 . 15 1 1 A 46 46 LYS N N 43 118.025 117.534 0.491 1
1 578 . 15 1 1 A 46 46 LYS H H 43 8.596 8.218 0.378 1
1 579 . 15 1 1 A 46 46 LYS CA C 43 60.844 60.417 0.427 1
1 580 . 15 1 1 A 46 46 LYS HA H 43 3.816 3.858 -0.042 1
1 581 . 15 1 1 A 46 46 LYS CB C 43 31.918 32.294 -0.376 1
1 593 . 15 1 1 A 46 46 LYS C C 43 177.672 179.280 -1.608 1
1 594 . 15 1 1 A 47 47 ASP N N 44 119.267 119.777 -0.510 1
1 595 . 15 1 1 A 47 47 ASP H H 44 7.448 8.199 -0.751 1
1 596 . 15 1 1 A 47 47 ASP CA C 44 57.422 57.339 0.083 1
1 597 . 15 1 1 A 47 47 ASP HA H 44 4.555 4.357 0.198 1
1 598 . 15 1 1 A 47 47 ASP CB C 44 39.264 40.770 -1.506 1
1 601 . 15 1 1 A 47 47 ASP C C 44 179.284 178.924 0.360 1
1 602 . 15 1 1 A 48 48 ILE N N 45 120.817 119.255 1.562 1
1 603 . 15 1 1 A 48 48 ILE H H 45 7.871 8.103 -0.232 1
1 604 . 15 1 1 A 48 48 ILE CA C 45 64.604 65.297 -0.693 1
1 605 . 15 1 1 A 48 48 ILE HA H 45 3.653 3.798 -0.145 1
1 606 . 15 1 1 A 48 48 ILE CB C 45 36.293 38.240 -1.947 1
1 619 . 15 1 1 A 48 48 ILE C C 45 177.180 177.453 -0.273 1
1 620 . 15 1 1 A 49 49 CYS N N 46 117.775 119.603 -1.828 1
1 621 . 15 1 1 A 49 49 CYS H H 46 8.543 8.326 0.217 1
1 622 . 15 1 1 A 49 49 CYS CA C 46 64.971 63.385 1.586 1
1 623 . 15 1 1 A 49 49 CYS HA H 46 3.852 3.906 -0.054 1
1 624 . 15 1 1 A 49 49 CYS CB C 46 25.872 26.550 -0.678 1
1 627 . 15 1 1 A 49 49 CYS C C 46 176.288 177.249 -0.961 1
1 628 . 15 1 1 A 50 50 ARG N N 47 118.702 122.457 -3.755 1
1 629 . 15 1 1 A 50 50 ARG H H 47 8.626 7.970 0.656 1
1 630 . 15 1 1 A 50 50 ARG CA C 47 58.983 59.174 -0.191 1
1 631 . 15 1 1 A 50 50 ARG HA H 47 4.058 4.090 -0.032 1
1 632 . 15 1 1 A 50 50 ARG CB C 47 29.512 30.241 -0.729 1
1 648 . 15 1 1 A 50 50 ARG C C 47 179.270 178.213 1.057 1
1 649 . 15 1 1 A 51 51 SER N N 48 114.502 115.119 -0.617 1
1 650 . 15 1 1 A 51 51 SER H H 48 7.514 8.515 -1.001 1
1 651 . 15 1 1 A 51 51 SER CA C 48 61.745 61.256 0.489 1
1 652 . 15 1 1 A 51 51 SER HA H 48 4.308 4.171 0.137 1
1 653 . 15 1 1 A 51 51 SER CB C 48 62.780 61.989 0.791 1
1 656 . 15 1 1 A 51 51 SER C C 48 176.764 177.154 -0.390 1
1 657 . 15 1 1 A 52 52 VAL N N 49 113.832 120.935 -7.103 1
1 658 . 15 1 1 A 52 52 VAL H H 49 7.511 8.011 -0.500 1
1 659 . 15 1 1 A 52 52 VAL CA C 49 60.751 63.168 -2.417 1
1 660 . 15 1 1 A 52 52 VAL HA H 49 3.760 3.810 -0.050 1
1 661 . 15 1 1 A 52 52 VAL CB C 49 30.719 31.550 -0.831 1
1 671 . 15 1 1 A 52 52 VAL C C 49 173.462 175.040 -1.578 1
1 672 . 15 1 1 A 53 53 SER N N 50 112.698 115.041 -2.343 1
1 673 . 15 1 1 A 53 53 SER H H 50 7.653 7.965 -0.312 1
1 674 . 15 1 1 A 53 53 SER CA C 50 59.025 59.715 -0.690 1
1 675 . 15 1 1 A 53 53 SER HA H 50 3.911 4.138 -0.227 1
1 676 . 15 1 1 A 53 53 SER CB C 50 60.895 61.322 -0.427 1
1 679 . 15 1 1 A 53 53 SER C C 50 174.065 173.472 0.593 1
1 680 . 15 1 1 A 54 54 PHE N N 51 120.132 120.268 -0.136 1
1 681 . 15 1 1 A 54 54 PHE H H 51 8.332 7.831 0.501 1
1 682 . 15 1 1 A 54 54 PHE CA C 51 51.743 56.750 -5.007 1
1 683 . 15 1 1 A 54 54 PHE HA H 51 5.171 4.521 0.650 1
1 684 . 15 1 1 A 54 54 PHE CB C 51 37.762 38.650 -0.888 1
1 696 . 15 1 1 A 55 55 PRO CA C 52 62.176 62.635 -0.459 1
1 697 . 15 1 1 A 55 55 PRO HA H 52 4.417 4.655 -0.238 1
1 698 . 15 1 1 A 55 55 PRO CB C 52 31.347 31.607 -0.260 1
1 706 . 15 1 1 A 55 55 PRO C C 52 176.296 177.008 -0.712 1
1 707 . 15 1 1 A 56 56 VAL N N 53 109.933 125.219 -15.286 1
1 708 . 15 1 1 A 56 56 VAL H H 53 7.986 8.902 -0.916 1
1 709 . 15 1 1 A 56 56 VAL CA C 53 59.863 62.276 -2.413 1
1 710 . 15 1 1 A 56 56 VAL HA H 53 4.404 4.382 0.022 1
1 711 . 15 1 1 A 56 56 VAL CB C 53 31.483 31.896 -0.413 1
1 721 . 15 1 1 A 56 56 VAL C C 53 175.074 176.099 -1.025 1
1 722 . 15 1 1 A 57 57 SER N N 54 114.614 116.876 -2.262 1
1 723 . 15 1 1 A 57 57 SER H H 54 7.304 7.747 -0.443 1
1 724 . 15 1 1 A 57 57 SER CA C 54 57.295 60.090 -2.795 1
1 725 . 15 1 1 A 57 57 SER HA H 54 4.363 4.445 -0.082 1
1 726 . 15 1 1 A 57 57 SER CB C 54 63.351 63.328 0.023 1
1 729 . 15 1 1 A 57 57 SER C C 54 174.225 175.576 -1.351 1
1 730 . 15 1 1 A 58 58 GLY N N 55 110.300 109.564 0.736 1
1 731 . 15 1 1 A 58 58 GLY H H 55 8.545 7.782 0.763 1
1 732 . 15 1 1 A 58 58 GLY CA C 55 43.806 44.291 -0.485 1
1 733 . 15 1 1 A 58 58 GLY HA2 H 55 4.009 4.022 -0.013 1
1 734 . 15 1 1 A 58 58 GLY HA3 H 55 3.715 4.024 -0.309 1
1 735 . 15 1 1 A 58 58 GLY C C 55 172.483 173.093 -0.610 1
1 736 . 15 1 1 A 59 59 ARG N N 56 116.392 120.177 -3.785 1
1 737 . 15 1 1 A 59 59 ARG H H 56 7.913 8.647 -0.734 1
1 738 . 15 1 1 A 59 59 ARG CA C 56 54.769 53.754 1.015 1
1 739 . 15 1 1 A 59 59 ARG HA H 56 4.371 4.929 -0.558 1
1 740 . 15 1 1 A 59 59 ARG CB C 56 30.447 33.362 -2.915 1
1 752 . 15 1 1 A 59 59 ARG C C 56 176.019 176.327 -0.308 1
1 753 . 15 1 1 A 60 60 LYS N N 57 122.009 117.778 4.231 1
1 754 . 15 1 1 A 60 60 LYS H H 57 8.811 8.943 -0.132 1
1 755 . 15 1 1 A 60 60 LYS CA C 57 61.236 59.096 2.140 1
1 756 . 15 1 1 A 60 60 LYS HA H 57 3.606 4.020 -0.414 1
1 757 . 15 1 1 A 60 60 LYS CB C 57 32.419 31.945 0.474 1
1 769 . 15 1 1 A 60 60 LYS C C 57 176.824 178.386 -1.562 1
1 770 . 15 1 1 A 61 61 ALA N N 58 116.880 121.794 -4.914 1
1 771 . 15 1 1 A 61 61 ALA H H 58 8.794 7.813 0.981 1
1 772 . 15 1 1 A 61 61 ALA CA C 58 54.617 55.147 -0.530 1
1 773 . 15 1 1 A 61 61 ALA HA H 58 4.129 4.327 -0.198 1
1 777 . 15 1 1 A 61 61 ALA CB C 58 18.103 18.439 -0.336 1
1 778 . 15 1 1 A 61 61 ALA C C 58 179.574 179.919 -0.345 1
1 779 . 15 1 1 A 62 62 VAL N N 59 117.408 118.472 -1.064 1
1 780 . 15 1 1 A 62 62 VAL H H 59 7.047 7.658 -0.611 1
1 781 . 15 1 1 A 62 62 VAL CA C 59 64.864 67.034 -2.170 1
1 782 . 15 1 1 A 62 62 VAL HA H 59 3.701 3.505 0.196 1
1 783 . 15 1 1 A 62 62 VAL CB C 59 31.301 31.503 -0.202 1
1 793 . 15 1 1 A 62 62 VAL C C 59 178.103 178.160 -0.057 1
1 794 . 15 1 1 A 63 63 LEU N N 60 119.573 119.563 0.010 1
1 795 . 15 1 1 A 63 63 LEU H H 60 7.585 8.285 -0.700 1
1 796 . 15 1 1 A 63 63 LEU CA C 60 57.571 58.302 -0.731 1
1 797 . 15 1 1 A 63 63 LEU HA H 60 3.923 3.830 0.093 1
1 798 . 15 1 1 A 63 63 LEU CB C 60 41.711 41.602 0.109 1
1 810 . 15 1 1 A 63 63 LEU C C 60 178.692 178.965 -0.273 1
1 811 . 15 1 1 A 64 64 GLN N N 61 114.206 117.310 -3.104 1
1 812 . 15 1 1 A 64 64 GLN H H 61 8.373 8.474 -0.101 1
1 813 . 15 1 1 A 64 64 GLN CA C 61 58.039 58.450 -0.411 1
1 814 . 15 1 1 A 64 64 GLN HA H 61 4.090 4.024 0.066 1
1 815 . 15 1 1 A 64 64 GLN CB C 61 28.670 28.570 0.100 1
1 821 . 15 1 1 A 64 64 GLN C C 61 178.207 177.390 0.817 1
1 822 . 15 1 1 A 65 65 ASP N N 62 118.671 120.398 -1.727 1
1 823 . 15 1 1 A 65 65 ASP H H 62 7.973 7.977 -0.004 1
1 824 . 15 1 1 A 65 65 ASP CA C 62 56.961 57.400 -0.439 1
1 825 . 15 1 1 A 65 65 ASP HA H 62 4.353 4.487 -0.134 1
1 826 . 15 1 1 A 65 65 ASP CB C 62 39.856 40.441 -0.585 1
1 829 . 15 1 1 A 65 65 ASP C C 62 178.113 179.006 -0.893 1
1 830 . 15 1 1 A 66 66 LEU N N 63 119.708 120.697 -0.989 1
1 831 . 15 1 1 A 66 66 LEU H H 63 7.970 8.136 -0.166 1
1 832 . 15 1 1 A 66 66 LEU CA C 63 57.549 58.029 -0.480 1
1 833 . 15 1 1 A 66 66 LEU HA H 63 3.838 4.066 -0.228 1
1 834 . 15 1 1 A 66 66 LEU CB C 63 41.235 41.995 -0.760 1
1 847 . 15 1 1 A 66 66 LEU C C 63 180.041 179.180 0.861 1
1 848 . 15 1 1 A 67 67 ILE N N 64 118.309 119.527 -1.218 1
1 849 . 15 1 1 A 67 67 ILE H H 64 7.555 8.067 -0.512 1
1 850 . 15 1 1 A 67 67 ILE CA C 64 63.895 64.139 -0.244 1
1 851 . 15 1 1 A 67 67 ILE HA H 64 3.794 3.422 0.372 1
1 852 . 15 1 1 A 67 67 ILE CB C 64 37.181 37.244 -0.063 1
1 865 . 15 1 1 A 67 67 ILE C C 64 176.949 178.152 -1.203 1
1 866 . 15 1 1 A 68 68 ARG N N 65 122.359 121.084 1.275 1
1 867 . 15 1 1 A 68 68 ARG H H 65 9.489 8.197 1.292 1
1 868 . 15 1 1 A 68 68 ARG CA C 65 60.488 60.140 0.348 1
1 869 . 15 1 1 A 68 68 ARG HA H 65 3.692 3.888 -0.196 1
1 870 . 15 1 1 A 68 68 ARG CB C 65 29.897 30.232 -0.335 1
1 880 . 15 1 1 A 68 68 ARG C C 65 177.728 178.991 -1.263 1
1 881 . 15 1 1 A 69 69 ASN N N 66 116.248 116.625 -0.377 1
1 882 . 15 1 1 A 69 69 ASN H H 66 8.546 8.542 0.004 1
1 883 . 15 1 1 A 69 69 ASN CA C 66 55.945 56.415 -0.470 1
1 884 . 15 1 1 A 69 69 ASN HA H 66 4.391 4.532 -0.141 1
1 885 . 15 1 1 A 69 69 ASN CB C 66 37.828 37.948 -0.120 1
1 891 . 15 1 1 A 69 69 ASN C C 66 176.520 178.704 -2.184 1
1 892 . 15 1 1 A 70 70 PHE N N 67 121.134 119.201 1.933 1
1 893 . 15 1 1 A 70 70 PHE H H 67 7.693 8.262 -0.569 1
1 894 . 15 1 1 A 70 70 PHE CA C 67 60.170 61.118 -0.948 1
1 895 . 15 1 1 A 70 70 PHE HA H 67 4.535 4.318 0.217 1
1 896 . 15 1 1 A 70 70 PHE CB C 67 39.838 38.802 1.036 1
1 902 . 15 1 1 A 70 70 PHE C C 67 177.756 178.283 -0.527 1
1 903 . 15 1 1 A 71 71 LEU N N 68 117.959 119.992 -2.033 1
1 904 . 15 1 1 A 71 71 LEU H H 68 8.336 8.576 -0.240 1
1 905 . 15 1 1 A 71 71 LEU CA C 68 57.468 57.858 -0.390 1
1 906 . 15 1 1 A 71 71 LEU HA H 68 3.828 4.115 -0.287 1
1 907 . 15 1 1 A 71 71 LEU CB C 68 42.156 41.337 0.819 1
1 919 . 15 1 1 A 71 71 LEU C C 68 178.037 178.949 -0.912 1
1 920 . 15 1 1 A 72 72 GLN N N 69 117.479 119.182 -1.703 1
1 921 . 15 1 1 A 72 72 GLN H H 69 8.802 8.227 0.575 1
1 922 . 15 1 1 A 72 72 GLN CA C 69 58.632 58.978 -0.346 1
1 923 . 15 1 1 A 72 72 GLN HA H 69 3.906 4.055 -0.149 1
1 924 . 15 1 1 A 72 72 GLN CB C 69 27.010 28.428 -1.418 1
1 933 . 15 1 1 A 72 72 GLN C C 69 179.337 177.535 1.802 1
1 934 . 15 1 1 A 73 73 ASN N N 70 117.551 117.348 0.203 1
1 935 . 15 1 1 A 73 73 ASN H H 70 8.124 8.391 -0.267 1
1 936 . 15 1 1 A 73 73 ASN CA C 70 54.051 54.929 -0.878 1
1 937 . 15 1 1 A 73 73 ASN HA H 70 4.602 4.514 0.088 1
1 938 . 15 1 1 A 73 73 ASN CB C 70 37.810 38.412 -0.602 1
1 944 . 15 1 1 A 73 73 ASN C C 70 175.490 177.678 -2.188 1
1 945 . 15 1 1 A 74 74 ALA N N 71 120.962 120.835 0.127 1
1 946 . 15 1 1 A 74 74 ALA H H 71 7.787 7.585 0.202 1
1 947 . 15 1 1 A 74 74 ALA CA C 71 53.143 54.164 -1.021 1
1 948 . 15 1 1 A 74 74 ALA HA H 71 4.193 4.106 0.087 1
1 952 . 15 1 1 A 74 74 ALA CB C 71 19.064 18.532 0.532 1
1 953 . 15 1 1 A 74 74 ALA C C 71 176.255 177.865 -1.610 1
1 954 . 15 1 1 A 75 75 LEU N N 72 112.822 111.416 1.406 1
1 955 . 15 1 1 A 75 75 LEU H H 72 7.381 7.555 -0.174 1
1 956 . 15 1 1 A 75 75 LEU CA C 72 52.987 53.574 -0.587 1
1 957 . 15 1 1 A 75 75 LEU HA H 72 4.305 4.556 -0.251 1
1 958 . 15 1 1 A 75 75 LEU CB C 72 41.490 42.029 -0.539 1
1 971 . 15 1 1 A 75 75 LEU C C 72 175.867 175.989 -0.122 1
1 972 . 15 1 1 A 76 76 VAL N N 73 120.671 122.648 -1.977 1
1 973 . 15 1 1 A 76 76 VAL H H 73 6.797 8.015 -1.218 1
1 974 . 15 1 1 A 76 76 VAL CA C 73 62.994 60.397 2.597 1
1 975 . 15 1 1 A 76 76 VAL HA H 73 3.707 4.537 -0.830 1
1 976 . 15 1 1 A 76 76 VAL CB C 73 32.014 34.813 -2.799 1
1 986 . 15 1 1 A 76 76 VAL C C 73 176.144 175.551 0.593 1
1 987 . 15 1 1 A 77 77 VAL N N 74 128.303 125.915 2.388 1
1 988 . 15 1 1 A 77 77 VAL H H 74 8.407 8.525 -0.118 1
1 989 . 15 1 1 A 77 77 VAL CA C 74 64.673 64.957 -0.284 1
1 990 . 15 1 1 A 77 77 VAL HA H 74 3.651 3.593 0.058 1
1 991 . 15 1 1 A 77 77 VAL CB C 74 30.789 31.173 -0.384 1
1 1001 . 15 1 1 A 77 77 VAL C C 74 176.911 177.359 -0.448 1
1 1002 . 15 1 1 A 78 78 GLY N N 75 116.087 115.326 0.761 1
1 1003 . 15 1 1 A 78 78 GLY H H 75 8.827 8.898 -0.071 1
1 1004 . 15 1 1 A 78 78 GLY CA C 75 45.004 45.953 -0.949 1
1 1005 . 15 1 1 A 78 78 GLY HA2 H 75 4.236 3.962 0.274 1
1 1006 . 15 1 1 A 78 78 GLY HA3 H 75 3.738 3.963 -0.225 1
1 1007 . 15 1 1 A 78 78 GLY C C 75 173.779 174.222 -0.443 1
1 1008 . 15 1 1 A 79 79 LYS N N 76 121.612 120.768 0.844 1
1 1009 . 15 1 1 A 79 79 LYS H H 76 8.140 7.554 0.586 1
1 1010 . 15 1 1 A 79 79 LYS CA C 76 54.078 55.387 -1.309 1
1 1011 . 15 1 1 A 79 79 LYS HA H 76 4.588 4.489 0.099 1
1 1012 . 15 1 1 A 79 79 LYS CB C 76 32.708 33.043 -0.335 1
1 1024 . 15 1 1 A 79 79 LYS C C 76 175.177 175.455 -0.278 1
1 1025 . 15 1 1 A 80 80 SER N N 77 117.166 116.656 0.510 1
1 1026 . 15 1 1 A 80 80 SER H H 77 8.241 7.641 0.600 1
1 1027 . 15 1 1 A 80 80 SER CA C 77 59.173 58.736 0.437 1
1 1028 . 15 1 1 A 80 80 SER HA H 77 4.356 4.376 -0.020 1
1 1029 . 15 1 1 A 80 80 SER CB C 77 63.288 63.602 -0.314 1
1 1032 . 15 1 1 A 80 80 SER C C 77 174.793 174.062 0.731 1
1 1033 . 15 1 1 A 81 81 ASP N N 78 118.775 124.817 -6.042 1
1 1034 . 15 1 1 A 81 81 ASP H H 78 8.506 8.596 -0.090 1
1 1035 . 15 1 1 A 81 81 ASP CA C 78 50.069 51.922 -1.853 1
1 1036 . 15 1 1 A 81 81 ASP HA H 78 5.423 4.796 0.627 1
1 1037 . 15 1 1 A 81 81 ASP CB C 78 41.498 40.982 0.516 1
1 1041 . 15 1 1 A 82 82 PRO CA C 79 63.656 64.249 -0.593 1
1 1042 . 15 1 1 A 82 82 PRO HA H 79 4.271 4.325 -0.054 1
1 1043 . 15 1 1 A 82 82 PRO CB C 79 31.303 31.789 -0.486 1
1 1051 . 15 1 1 A 82 82 PRO C C 79 178.645 177.876 0.769 1
1 1052 . 15 1 1 A 83 83 TYR N N 80 117.360 117.421 -0.061 1
1 1053 . 15 1 1 A 83 83 TYR H H 80 7.561 7.373 0.188 1
1 1054 . 15 1 1 A 83 83 TYR CA C 80 59.635 61.651 -2.016 1
1 1055 . 15 1 1 A 83 83 TYR HA H 80 4.163 4.387 -0.224 1
1 1056 . 15 1 1 A 83 83 TYR CB C 80 35.602 38.214 -2.612 1
1 1065 . 15 1 1 A 83 83 TYR C C 80 176.904 178.581 -1.677 1
1 1066 . 15 1 1 A 84 84 ARG N N 81 120.833 119.225 1.608 1
1 1067 . 15 1 1 A 84 84 ARG H H 81 7.898 8.345 -0.447 1
1 1068 . 15 1 1 A 84 84 ARG CA C 81 58.332 58.941 -0.609 1
1 1069 . 15 1 1 A 84 84 ARG HA H 81 4.615 4.343 0.272 1
1 1070 . 15 1 1 A 84 84 ARG CB C 81 28.242 29.672 -1.430 1
1 1071 . 15 1 1 A 84 84 ARG C C 81 176.940 179.127 -2.187 1
1 1072 . 15 1 1 A 85 85 VAL N N 82 117.345 120.284 -2.939 1
1 1073 . 15 1 1 A 85 85 VAL H H 82 6.971 8.139 -1.168 1
1 1074 . 15 1 1 A 85 85 VAL CA C 82 65.663 67.121 -1.458 1
1 1075 . 15 1 1 A 85 85 VAL HA H 82 3.417 3.565 -0.148 1
1 1076 . 15 1 1 A 85 85 VAL CB C 82 31.165 31.605 -0.440 1
1 1085 . 15 1 1 A 85 85 VAL C C 82 176.601 177.942 -1.341 1
1 1086 . 15 1 1 A 86 86 GLN N N 83 117.137 119.787 -2.650 1
1 1087 . 15 1 1 A 86 86 GLN H H 83 7.536 8.385 -0.849 1
1 1088 . 15 1 1 A 86 86 GLN CA C 83 58.230 58.655 -0.425 1
1 1089 . 15 1 1 A 86 86 GLN HA H 83 3.953 4.137 -0.184 1
1 1090 . 15 1 1 A 86 86 GLN CB C 83 28.240 28.167 0.073 1
1 1099 . 15 1 1 A 86 86 GLN C C 83 178.602 178.249 0.353 1
1 1100 . 15 1 1 A 87 87 ALA N N 84 121.452 122.465 -1.013 1
1 1101 . 15 1 1 A 87 87 ALA H H 84 8.843 8.044 0.799 1
1 1102 . 15 1 1 A 87 87 ALA CA C 84 54.905 55.254 -0.349 1
1 1103 . 15 1 1 A 87 87 ALA HA H 84 4.048 4.223 -0.175 1
1 1107 . 15 1 1 A 87 87 ALA CB C 84 18.088 18.726 -0.638 1
1 1108 . 15 1 1 A 87 87 ALA C C 84 178.498 180.006 -1.508 1
1 1109 . 15 1 1 A 88 88 VAL N N 85 117.570 118.261 -0.691 1
1 1110 . 15 1 1 A 88 88 VAL H H 85 8.515 8.626 -0.111 1
1 1111 . 15 1 1 A 88 88 VAL CA C 85 67.315 66.295 1.020 1
1 1112 . 15 1 1 A 88 88 VAL HA H 85 3.764 3.545 0.219 1
1 1113 . 15 1 1 A 88 88 VAL CB C 85 30.610 31.743 -1.133 1
1 1123 . 15 1 1 A 88 88 VAL C C 85 177.138 177.986 -0.848 1
1 1124 . 15 1 1 A 89 89 LYS N N 86 120.005 120.623 -0.618 1
1 1125 . 15 1 1 A 89 89 LYS H H 86 8.612 8.343 0.269 1
1 1126 . 15 1 1 A 89 89 LYS CA C 86 60.851 59.272 1.579 1
1 1127 . 15 1 1 A 89 89 LYS HA H 86 3.827 3.977 -0.150 1
1 1128 . 15 1 1 A 89 89 LYS CB C 86 31.974 32.295 -0.321 1
1 1140 . 15 1 1 A 89 89 LYS C C 86 178.096 178.696 -0.600 1
1 1141 . 15 1 1 A 90 90 PHE N N 87 119.839 120.439 -0.600 1
1 1142 . 15 1 1 A 90 90 PHE H H 87 8.184 8.101 0.083 1
1 1143 . 15 1 1 A 90 90 PHE CA C 87 60.604 61.499 -0.895 1
1 1144 . 15 1 1 A 90 90 PHE HA H 87 4.302 4.154 0.148 1
1 1145 . 15 1 1 A 90 90 PHE CB C 87 38.349 39.551 -1.202 1
1 1154 . 15 1 1 A 90 90 PHE C C 87 177.748 177.384 0.364 1
1 1155 . 15 1 1 A 91 91 LEU N N 88 118.977 119.871 -0.894 1
1 1156 . 15 1 1 A 91 91 LEU H H 88 8.604 8.445 0.159 1
1 1157 . 15 1 1 A 91 91 LEU CA C 88 58.058 58.609 -0.551 1
1 1158 . 15 1 1 A 91 91 LEU HA H 88 3.975 3.955 0.020 1
1 1159 . 15 1 1 A 91 91 LEU CB C 88 41.114 42.331 -1.217 1
1 1169 . 15 1 1 A 91 91 LEU C C 88 178.106 179.210 -1.104 1
1 1170 . 15 1 1 A 92 92 ILE N N 89 118.378 118.863 -0.485 1
1 1171 . 15 1 1 A 92 92 ILE H H 89 8.420 8.344 0.076 1
1 1172 . 15 1 1 A 92 92 ILE CA C 89 65.761 65.785 -0.024 1
1 1173 . 15 1 1 A 92 92 ILE HA H 89 3.542 3.447 0.095 1
1 1174 . 15 1 1 A 92 92 ILE CB C 89 37.372 37.829 -0.457 1
1 1184 . 15 1 1 A 92 92 ILE C C 89 176.952 178.311 -1.359 1
1 1185 . 15 1 1 A 93 93 GLU N N 90 120.262 120.454 -0.192 1
1 1186 . 15 1 1 A 93 93 GLU H H 90 8.133 8.212 -0.079 1
1 1187 . 15 1 1 A 93 93 GLU CA C 90 58.766 60.023 -1.257 1
1 1188 . 15 1 1 A 93 93 GLU HA H 90 4.038 3.827 0.211 1
1 1189 . 15 1 1 A 93 93 GLU CB C 90 28.466 29.120 -0.654 1
1 1195 . 15 1 1 A 93 93 GLU C C 90 178.689 178.565 0.124 1
1 1196 . 15 1 1 A 94 94 ARG N N 91 117.630 119.128 -1.498 1
1 1197 . 15 1 1 A 94 94 ARG H H 91 7.952 7.938 0.014 1
1 1198 . 15 1 1 A 94 94 ARG CA C 91 58.343 58.714 -0.371 1
1 1199 . 15 1 1 A 94 94 ARG HA H 91 3.941 3.945 -0.004 1
1 1200 . 15 1 1 A 94 94 ARG CB C 91 29.048 29.698 -0.650 1
1 1215 . 15 1 1 A 94 94 ARG C C 91 178.875 179.158 -0.283 1
1 1216 . 15 1 1 A 95 95 ILE N N 92 120.056 119.779 0.277 1
1 1217 . 15 1 1 A 95 95 ILE H H 92 8.225 8.077 0.148 1
1 1218 . 15 1 1 A 95 95 ILE CA C 92 63.296 65.325 -2.029 1
1 1219 . 15 1 1 A 95 95 ILE HA H 92 3.972 3.789 0.183 1
1 1220 . 15 1 1 A 95 95 ILE CB C 92 36.921 37.190 -0.269 1
1 1233 . 15 1 1 A 95 95 ILE C C 92 180.242 178.645 1.597 1
1 1234 . 15 1 1 A 96 96 ARG N N 93 121.023 120.573 0.450 1
1 1235 . 15 1 1 A 96 96 ARG H H 93 8.259 8.149 0.110 1
1 1236 . 15 1 1 A 96 96 ARG CA C 93 58.401 58.775 -0.374 1
1 1237 . 15 1 1 A 96 96 ARG HA H 93 4.068 4.197 -0.129 1
1 1238 . 15 1 1 A 96 96 ARG CB C 93 29.474 30.300 -0.826 1
1 1254 . 15 1 1 A 96 96 ARG C C 93 177.500 177.156 0.344 1
1 1255 . 15 1 1 A 97 97 LYS N N 94 116.750 117.361 -0.611 1
1 1256 . 15 1 1 A 97 97 LYS H H 94 7.527 7.539 -0.012 1
1 1257 . 15 1 1 A 97 97 LYS CA C 94 55.282 55.332 -0.050 1
1 1258 . 15 1 1 A 97 97 LYS HA H 94 4.274 4.390 -0.116 1
1 1259 . 15 1 1 A 97 97 LYS CB C 94 32.112 33.460 -1.348 1
1 1271 . 15 1 1 A 97 97 LYS C C 94 174.901 175.654 -0.753 1
1 1272 . 15 1 1 A 98 98 ASN N N 95 116.979 117.042 -0.063 1
1 1273 . 15 1 1 A 98 98 ASN H H 95 8.150 7.972 0.178 1
1 1274 . 15 1 1 A 98 98 ASN CA C 95 53.822 53.887 -0.065 1
1 1275 . 15 1 1 A 98 98 ASN HA H 95 4.370 4.345 0.025 1
1 1276 . 15 1 1 A 98 98 ASN CB C 95 36.674 37.182 -0.508 1
1 1282 . 15 1 1 A 98 98 ASN C C 95 173.779 174.048 -0.269 1
1 1283 . 15 1 1 A 99 99 GLU N N 96 118.529 120.679 -2.150 1
1 1284 . 15 1 1 A 99 99 GLU H H 96 8.236 8.208 0.028 1
1 1285 . 15 1 1 A 99 99 GLU CA C 96 52.891 53.213 -0.322 1
1 1286 . 15 1 1 A 99 99 GLU HA H 96 4.673 4.842 -0.169 1
1 1287 . 15 1 1 A 99 99 GLU CB C 96 30.358 32.590 -2.232 1
1 1292 . 15 1 1 A 100 100 PRO CA C 97 62.037 62.606 -0.569 1
1 1293 . 15 1 1 A 100 100 PRO HA H 97 4.272 4.563 -0.291 1
1 1294 . 15 1 1 A 100 100 PRO CB C 97 31.609 32.305 -0.696 1
1 1302 . 15 1 1 A 100 100 PRO C C 97 176.184 175.559 0.625 1
1 1303 . 15 1 1 A 101 101 LEU N N 98 122.794 123.293 -0.499 1
1 1304 . 15 1 1 A 101 101 LEU H H 98 8.832 8.477 0.355 1
1 1305 . 15 1 1 A 101 101 LEU CA C 98 52.524 52.221 0.303 1
1 1306 . 15 1 1 A 101 101 LEU HA H 98 4.654 4.897 -0.243 1
1 1307 . 15 1 1 A 101 101 LEU CB C 98 40.422 42.351 -1.929 1
1 1321 . 15 1 1 A 102 102 PRO CA C 99 61.075 62.209 -1.134 1
1 1322 . 15 1 1 A 102 102 PRO HA H 99 4.629 4.619 0.010 1
1 1323 . 15 1 1 A 102 102 PRO CB C 99 31.778 33.120 -1.342 1
1 1328 . 15 1 1 A 102 102 PRO C C 99 174.604 176.369 -1.765 1
1 1329 . 15 1 1 A 103 103 VAL N N 100 120.834 120.920 -0.086 1
1 1330 . 15 1 1 A 103 103 VAL H H 100 8.661 8.523 0.138 1
1 1331 . 15 1 1 A 103 103 VAL CA C 100 62.977 62.734 0.243 1
1 1332 . 15 1 1 A 103 103 VAL HA H 100 3.860 4.119 -0.259 1
1 1333 . 15 1 1 A 103 103 VAL CB C 100 31.731 31.940 -0.209 1
1 1342 . 15 1 1 A 103 103 VAL C C 100 177.396 176.329 1.067 1
1 1343 . 15 1 1 A 104 104 TYR N N 101 129.973 126.791 3.182 1
1 1344 . 15 1 1 A 104 104 TYR H H 101 8.487 9.215 -0.728 1
1 1345 . 15 1 1 A 104 104 TYR CA C 101 62.855 61.952 0.903 1
1 1346 . 15 1 1 A 104 104 TYR HA H 101 3.802 4.088 -0.286 1
1 1347 . 15 1 1 A 104 104 TYR CB C 101 38.429 38.782 -0.353 1
1 1356 . 15 1 1 A 104 104 TYR C C 101 175.877 177.524 -1.647 1
1 1357 . 15 1 1 A 105 105 LYS N N 102 117.165 119.478 -2.313 1
1 1358 . 15 1 1 A 105 105 LYS H H 102 8.848 8.272 0.576 1
1 1359 . 15 1 1 A 105 105 LYS CA C 102 59.343 59.865 -0.522 1
1 1360 . 15 1 1 A 105 105 LYS HA H 102 3.810 3.748 0.062 1
1 1361 . 15 1 1 A 105 105 LYS CB C 102 31.739 32.130 -0.391 1
1 1373 . 15 1 1 A 105 105 LYS C C 102 177.370 178.321 -0.951 1
1 1374 . 15 1 1 A 106 106 ASP N N 103 117.011 120.189 -3.178 1
1 1375 . 15 1 1 A 106 106 ASP H H 103 6.781 8.221 -1.440 1
1 1376 . 15 1 1 A 106 106 ASP CA C 103 56.155 57.777 -1.622 1
1 1377 . 15 1 1 A 106 106 ASP HA H 103 4.454 4.359 0.095 1
1 1378 . 15 1 1 A 106 106 ASP CB C 103 39.467 41.465 -1.998 1
1 1381 . 15 1 1 A 106 106 ASP C C 103 178.180 178.203 -0.023 1
1 1382 . 15 1 1 A 107 107 LEU N N 104 124.145 119.854 4.291 1
1 1383 . 15 1 1 A 107 107 LEU H H 104 7.687 8.299 -0.612 1
1 1384 . 15 1 1 A 107 107 LEU CA C 104 56.938 57.890 -0.952 1
1 1385 . 15 1 1 A 107 107 LEU HA H 104 4.000 3.929 0.071 1
1 1386 . 15 1 1 A 107 107 LEU CB C 104 41.707 41.695 0.012 1
1 1399 . 15 1 1 A 107 107 LEU C C 104 176.403 178.667 -2.264 1
1 1400 . 15 1 1 A 108 108 TRP N N 105 120.039 120.430 -0.391 1
1 1401 . 15 1 1 A 108 108 TRP H H 105 9.072 8.209 0.863 1
1 1402 . 15 1 1 A 108 108 TRP CA C 105 62.392 59.962 2.430 1
1 1403 . 15 1 1 A 108 108 TRP HA H 105 3.547 3.936 -0.389 1
1 1404 . 15 1 1 A 108 108 TRP CB C 105 28.316 29.169 -0.853 1
1 1415 . 15 1 1 A 108 108 TRP C C 105 176.983 178.460 -1.477 1
1 1416 . 15 1 1 A 109 109 ASN N N 106 113.557 116.936 -3.379 1
1 1417 . 15 1 1 A 109 109 ASN H H 106 8.058 8.434 -0.376 1
1 1418 . 15 1 1 A 109 109 ASN CA C 106 55.662 56.047 -0.385 1
1 1419 . 15 1 1 A 109 109 ASN HA H 106 3.994 3.955 0.039 1
1 1420 . 15 1 1 A 109 109 ASN CB C 106 37.973 37.782 0.191 1
1 1426 . 15 1 1 A 109 109 ASN C C 106 176.928 177.438 -0.510 1
1 1427 . 15 1 1 A 110 110 ALA N N 107 121.997 122.470 -0.473 1
1 1428 . 15 1 1 A 110 110 ALA H H 107 7.718 7.820 -0.102 1
1 1429 . 15 1 1 A 110 110 ALA CA C 107 54.261 55.029 -0.768 1
1 1430 . 15 1 1 A 110 110 ALA HA H 107 3.979 4.053 -0.074 1
1 1434 . 15 1 1 A 110 110 ALA CB C 107 17.322 18.470 -1.148 1
1 1435 . 15 1 1 A 110 110 ALA C C 107 180.452 179.911 0.541 1
1 1436 . 15 1 1 A 111 111 LEU N N 108 119.150 117.750 1.400 1
1 1437 . 15 1 1 A 111 111 LEU H H 108 8.200 8.090 0.110 1
1 1438 . 15 1 1 A 111 111 LEU CA C 108 56.264 57.460 -1.196 1
1 1439 . 15 1 1 A 111 111 LEU HA H 108 3.857 3.964 -0.107 1
1 1440 . 15 1 1 A 111 111 LEU CB C 108 41.134 41.010 0.124 1
1 1453 . 15 1 1 A 111 111 LEU C C 108 178.144 179.184 -1.040 1
1 1454 . 15 1 1 A 112 112 ARG N N 109 117.178 120.102 -2.924 1
1 1455 . 15 1 1 A 112 112 ARG H H 109 7.365 7.819 -0.454 1
1 1456 . 15 1 1 A 112 112 ARG CA C 109 56.443 59.617 -3.174 1
1 1457 . 15 1 1 A 112 112 ARG HA H 109 2.642 3.785 -1.143 1
1 1458 . 15 1 1 A 112 112 ARG CB C 109 28.901 29.375 -0.474 1
1 1469 . 15 1 1 A 112 112 ARG C C 109 176.348 178.546 -2.198 1
1 1470 . 15 1 1 A 113 113 LYS N N 110 118.628 119.878 -1.250 1
1 1471 . 15 1 1 A 113 113 LYS H H 110 7.145 7.769 -0.624 1
1 1472 . 15 1 1 A 113 113 LYS CA C 110 56.410 59.338 -2.928 1
1 1473 . 15 1 1 A 113 113 LYS HA H 110 4.018 4.003 0.015 1
1 1474 . 15 1 1 A 113 113 LYS CB C 110 32.091 31.801 0.290 1
1 1486 . 15 1 1 A 113 113 LYS C C 110 176.164 178.891 -2.727 1
1 5 . 16 1 1 A 2 2 SER N N -2 115.414 115.201 0.213 1
1 6 . 16 1 1 A 2 2 SER H H -2 8.737 8.492 0.245 1
1 7 . 16 1 1 A 2 2 SER CA C -2 57.710 58.904 -1.194 1
1 8 . 16 1 1 A 2 2 SER HA H -2 4.446 4.577 -0.131 1
1 9 . 16 1 1 A 2 2 SER CB C -2 63.365 65.467 -2.102 1
1 12 . 16 1 1 A 2 2 SER C C -2 173.826 174.006 -0.180 1
1 40 . 16 1 1 A 5 5 ILE N N 2 122.114 119.949 2.165 1
1 41 . 16 1 1 A 5 5 ILE H H 2 8.292 7.160 1.132 1
1 42 . 16 1 1 A 5 5 ILE CA C 2 60.568 59.573 0.995 1
1 43 . 16 1 1 A 5 5 ILE HA H 2 4.102 4.883 -0.781 1
1 44 . 16 1 1 A 5 5 ILE CB C 2 38.417 42.109 -3.692 1
1 57 . 16 1 1 A 5 5 ILE C C 2 174.970 174.279 0.691 1
1 58 . 16 1 1 A 6 6 ASN N N 3 122.794 120.796 1.998 1
1 59 . 16 1 1 A 6 6 ASN H H 3 8.636 8.721 -0.085 1
1 60 . 16 1 1 A 6 6 ASN CA C 3 52.274 53.166 -0.892 1
1 61 . 16 1 1 A 6 6 ASN HA H 3 4.712 5.141 -0.429 1
1 62 . 16 1 1 A 6 6 ASN CB C 3 38.194 42.426 -4.232 1
1 68 . 16 1 1 A 6 6 ASN C C 3 174.766 175.024 -0.258 1
1 69 . 16 1 1 A 7 7 LEU N N 4 123.220 126.680 -3.460 1
1 70 . 16 1 1 A 7 7 LEU H H 4 8.484 8.880 -0.396 1
1 71 . 16 1 1 A 7 7 LEU CA C 4 55.359 57.378 -2.019 1
1 72 . 16 1 1 A 7 7 LEU HA H 4 4.197 3.609 0.588 1
1 73 . 16 1 1 A 7 7 LEU CB C 4 41.461 41.872 -0.411 1
1 86 . 16 1 1 A 7 7 LEU C C 4 177.248 178.199 -0.951 1
1 87 . 16 1 1 A 8 8 GLU N N 5 119.354 115.821 3.533 1
1 88 . 16 1 1 A 8 8 GLU H H 5 8.455 7.527 0.928 1
1 89 . 16 1 1 A 8 8 GLU CA C 5 56.589 56.452 0.137 1
1 90 . 16 1 1 A 8 8 GLU HA H 5 4.091 4.548 -0.457 1
1 91 . 16 1 1 A 8 8 GLU CB C 5 29.275 30.338 -1.063 1
1 97 . 16 1 1 A 8 8 GLU C C 5 175.981 176.278 -0.297 1
1 98 . 16 1 1 A 9 9 ASP N N 6 119.780 120.923 -1.143 1
1 99 . 16 1 1 A 9 9 ASP H H 6 8.136 8.574 -0.438 1
1 100 . 16 1 1 A 9 9 ASP CA C 6 53.931 53.166 0.765 1
1 101 . 16 1 1 A 9 9 ASP HA H 6 4.492 5.042 -0.550 1
1 102 . 16 1 1 A 9 9 ASP CB C 6 40.360 41.988 -1.628 1
1 105 . 16 1 1 A 9 9 ASP C C 6 175.397 176.324 -0.927 1
1 106 . 16 1 1 A 10 10 TYR N N 7 119.939 116.752 3.187 1
1 107 . 16 1 1 A 10 10 TYR H H 7 7.902 8.293 -0.391 1
1 108 . 16 1 1 A 10 10 TYR CA C 7 57.667 57.062 0.605 1
1 109 . 16 1 1 A 10 10 TYR HA H 7 4.431 4.941 -0.510 1
1 110 . 16 1 1 A 10 10 TYR CB C 7 38.236 40.500 -2.264 1
1 119 . 16 1 1 A 10 10 TYR C C 7 174.898 176.874 -1.976 1
1 120 . 16 1 1 A 11 11 TRP N N 8 122.648 119.668 2.980 1
1 121 . 16 1 1 A 11 11 TRP H H 8 7.917 7.754 0.163 1
1 122 . 16 1 1 A 11 11 TRP CA C 8 56.562 57.621 -1.059 1
1 123 . 16 1 1 A 11 11 TRP HA H 8 4.578 4.525 0.053 1
1 124 . 16 1 1 A 11 11 TRP CB C 8 29.293 31.280 -1.987 1
1 139 . 16 1 1 A 11 11 TRP C C 8 175.212 175.906 -0.694 1
1 140 . 16 1 1 A 12 12 GLU N N 9 122.189 117.052 5.137 1
1 141 . 16 1 1 A 12 12 GLU H H 9 8.030 8.153 -0.123 1
1 142 . 16 1 1 A 12 12 GLU CA C 9 55.743 57.254 -1.511 1
1 143 . 16 1 1 A 12 12 GLU HA H 9 4.137 4.243 -0.106 1
1 144 . 16 1 1 A 12 12 GLU CB C 9 30.001 28.615 1.386 1
1 150 . 16 1 1 A 12 12 GLU C C 9 175.138 176.202 -1.064 1
1 151 . 16 1 1 A 13 13 ASP N N 10 121.099 124.839 -3.740 1
1 152 . 16 1 1 A 13 13 ASP H H 10 8.253 8.994 -0.741 1
1 153 . 16 1 1 A 13 13 ASP CA C 10 53.843 54.342 -0.499 1
1 154 . 16 1 1 A 13 13 ASP HA H 10 4.500 4.965 -0.465 1
1 155 . 16 1 1 A 13 13 ASP CB C 10 40.715 42.083 -1.368 1
1 158 . 16 1 1 A 13 13 ASP C C 10 175.700 175.863 -0.163 1
1 159 . 16 1 1 A 14 14 GLU N N 11 121.240 118.688 2.552 1
1 160 . 16 1 1 A 14 14 GLU H H 11 8.435 7.973 0.462 1
1 161 . 16 1 1 A 14 14 GLU CA C 11 55.858 55.470 0.388 1
1 162 . 16 1 1 A 14 14 GLU HA H 11 4.289 4.576 -0.287 1
1 163 . 16 1 1 A 14 14 GLU CB C 11 29.758 31.037 -1.279 1
1 169 . 16 1 1 A 14 14 GLU C C 11 176.002 175.694 0.308 1
1 170 . 16 1 1 A 15 15 THR N N 12 118.367 116.714 1.653 1
1 171 . 16 1 1 A 15 15 THR H H 12 8.407 7.493 0.914 1
1 172 . 16 1 1 A 15 15 THR CA C 12 59.646 60.364 -0.718 1
1 173 . 16 1 1 A 15 15 THR HA H 12 4.503 4.248 0.255 1
1 174 . 16 1 1 A 15 15 THR CB C 12 69.084 69.559 -0.475 1
1 181 . 16 1 1 A 16 16 PRO CA C 13 62.791 62.618 0.173 1
1 182 . 16 1 1 A 16 16 PRO HA H 13 4.408 4.552 -0.144 1
1 183 . 16 1 1 A 16 16 PRO CB C 13 31.771 33.358 -1.587 1
1 191 . 16 1 1 A 16 16 PRO C C 13 176.689 176.115 0.574 1
1 192 . 16 1 1 A 17 17 GLY N N 14 109.540 108.311 1.229 1
1 193 . 16 1 1 A 17 17 GLY H H 14 8.423 8.099 0.324 1
1 194 . 16 1 1 A 17 17 GLY CA C 14 44.219 46.057 -1.838 1
1 195 . 16 1 1 A 17 17 GLY HA2 H 14 4.010 4.093 -0.083 1
1 196 . 16 1 1 A 17 17 GLY HA3 H 14 4.159 4.097 0.062 1
1 198 . 16 1 1 A 18 18 PRO CA C 15 62.843 62.769 0.074 1
1 199 . 16 1 1 A 18 18 PRO HA H 15 4.412 4.578 -0.166 1
1 200 . 16 1 1 A 18 18 PRO CB C 15 31.667 32.541 -0.874 1
1 208 . 16 1 1 A 18 18 PRO C C 15 176.447 176.433 0.014 1
1 209 . 16 1 1 A 19 19 ASP N N 16 119.197 121.959 -2.762 1
1 210 . 16 1 1 A 19 19 ASP H H 16 8.517 8.916 -0.399 1
1 211 . 16 1 1 A 19 19 ASP CA C 16 53.940 54.239 -0.299 1
1 212 . 16 1 1 A 19 19 ASP HA H 16 4.559 5.076 -0.517 1
1 213 . 16 1 1 A 19 19 ASP CB C 16 40.180 41.337 -1.157 1
1 216 . 16 1 1 A 19 19 ASP C C 16 175.764 176.437 -0.673 1
1 217 . 16 1 1 A 20 20 ARG N N 17 120.435 119.185 1.250 1
1 218 . 16 1 1 A 20 20 ARG H H 17 8.201 7.924 0.277 1
1 219 . 16 1 1 A 20 20 ARG CA C 17 55.216 56.919 -1.703 1
1 220 . 16 1 1 A 20 20 ARG HA H 17 4.356 4.517 -0.161 1
1 221 . 16 1 1 A 20 20 ARG CB C 17 30.184 32.894 -2.710 1
1 237 . 16 1 1 A 20 20 ARG C C 17 175.724 175.997 -0.273 1
1 238 . 16 1 1 A 21 21 GLU N N 18 122.477 119.145 3.332 1
1 239 . 16 1 1 A 21 21 GLU H H 18 8.371 8.087 0.284 1
1 240 . 16 1 1 A 21 21 GLU CA C 18 53.658 54.787 -1.129 1
1 241 . 16 1 1 A 21 21 GLU HA H 18 4.657 4.476 0.181 1
1 242 . 16 1 1 A 21 21 GLU CB C 18 28.984 29.559 -0.575 1
1 249 . 16 1 1 A 22 22 PRO CA C 19 62.442 62.517 -0.075 1
1 250 . 16 1 1 A 22 22 PRO HA H 19 4.516 4.621 -0.105 1
1 251 . 16 1 1 A 22 22 PRO CB C 19 31.903 32.378 -0.475 1
1 259 . 16 1 1 A 22 22 PRO C C 19 176.323 175.614 0.709 1
1 260 . 16 1 1 A 23 23 THR N N 20 112.531 114.268 -1.737 1
1 261 . 16 1 1 A 23 23 THR H H 20 7.946 8.501 -0.555 1
1 262 . 16 1 1 A 23 23 THR CA C 20 60.521 60.361 0.160 1
1 263 . 16 1 1 A 23 23 THR HA H 20 4.373 4.793 -0.420 1
1 264 . 16 1 1 A 23 23 THR CB C 20 70.238 71.292 -1.054 1
1 270 . 16 1 1 A 23 23 THR C C 20 174.678 175.196 -0.518 1
1 271 . 16 1 1 A 24 24 ASN N N 21 120.631 124.290 -3.659 1
1 272 . 16 1 1 A 24 24 ASN H H 21 8.958 9.138 -0.180 1
1 273 . 16 1 1 A 24 24 ASN CA C 21 54.854 56.946 -2.092 1
1 274 . 16 1 1 A 24 24 ASN HA H 21 4.467 4.306 0.161 1
1 275 . 16 1 1 A 24 24 ASN CB C 21 37.535 38.772 -1.237 1
1 281 . 16 1 1 A 24 24 ASN C C 21 176.397 176.940 -0.543 1
1 282 . 16 1 1 A 25 25 GLU N N 22 120.237 119.414 0.823 1
1 283 . 16 1 1 A 25 25 GLU H H 22 8.644 7.978 0.666 1
1 284 . 16 1 1 A 25 25 GLU CA C 22 59.195 58.968 0.227 1
1 285 . 16 1 1 A 25 25 GLU HA H 22 4.076 4.141 -0.065 1
1 286 . 16 1 1 A 25 25 GLU CB C 22 28.567 29.422 -0.855 1
1 292 . 16 1 1 A 25 25 GLU C C 22 177.942 178.733 -0.791 1
1 293 . 16 1 1 A 26 26 LEU N N 23 122.376 121.383 0.993 1
1 294 . 16 1 1 A 26 26 LEU H H 23 8.109 8.018 0.091 1
1 295 . 16 1 1 A 26 26 LEU CA C 23 56.940 58.203 -1.263 1
1 296 . 16 1 1 A 26 26 LEU HA H 23 4.247 3.992 0.255 1
1 297 . 16 1 1 A 26 26 LEU CB C 23 40.425 41.870 -1.445 1
1 310 . 16 1 1 A 26 26 LEU C C 23 178.298 178.356 -0.058 1
1 311 . 16 1 1 A 27 27 ARG N N 24 118.606 118.245 0.361 1
1 312 . 16 1 1 A 27 27 ARG H H 24 8.225 8.236 -0.011 1
1 313 . 16 1 1 A 27 27 ARG CA C 24 59.892 58.817 1.075 1
1 314 . 16 1 1 A 27 27 ARG HA H 24 3.875 4.051 -0.176 1
1 315 . 16 1 1 A 27 27 ARG CB C 24 28.853 29.701 -0.848 1
1 331 . 16 1 1 A 27 27 ARG C C 24 178.374 178.534 -0.160 1
1 332 . 16 1 1 A 28 28 ASN N N 25 117.812 118.631 -0.819 1
1 333 . 16 1 1 A 28 28 ASN H H 25 8.146 8.227 -0.081 1
1 334 . 16 1 1 A 28 28 ASN CA C 25 55.753 56.394 -0.641 1
1 335 . 16 1 1 A 28 28 ASN HA H 25 4.452 4.433 0.019 1
1 336 . 16 1 1 A 28 28 ASN CB C 25 37.388 38.883 -1.495 1
1 342 . 16 1 1 A 28 28 ASN C C 25 177.043 177.990 -0.947 1
1 343 . 16 1 1 A 29 29 GLU N N 26 121.177 118.025 3.152 1
1 344 . 16 1 1 A 29 29 GLU H H 26 8.247 8.594 -0.347 1
1 345 . 16 1 1 A 29 29 GLU CA C 26 58.897 59.207 -0.310 1
1 346 . 16 1 1 A 29 29 GLU HA H 26 4.075 4.099 -0.024 1
1 347 . 16 1 1 A 29 29 GLU CB C 26 29.202 29.598 -0.396 1
1 353 . 16 1 1 A 29 29 GLU C C 26 180.215 179.645 0.570 1
1 354 . 16 1 1 A 30 30 VAL N N 27 123.509 121.485 2.024 1
1 355 . 16 1 1 A 30 30 VAL H H 27 8.793 8.120 0.673 1
1 356 . 16 1 1 A 30 30 VAL CA C 27 68.051 66.858 1.193 1
1 357 . 16 1 1 A 30 30 VAL HA H 27 3.413 3.833 -0.420 1
1 358 . 16 1 1 A 30 30 VAL CB C 27 31.196 31.598 -0.402 1
1 368 . 16 1 1 A 30 30 VAL C C 27 176.589 177.774 -1.185 1
1 369 . 16 1 1 A 31 31 GLU N N 28 119.159 118.509 0.650 1
1 370 . 16 1 1 A 31 31 GLU H H 28 8.042 8.678 -0.636 1
1 371 . 16 1 1 A 31 31 GLU CA C 28 59.379 59.883 -0.504 1
1 372 . 16 1 1 A 31 31 GLU HA H 28 3.946 3.922 0.024 1
1 373 . 16 1 1 A 31 31 GLU CB C 28 28.603 29.323 -0.720 1
1 379 . 16 1 1 A 31 31 GLU C C 28 179.282 179.172 0.110 1
1 380 . 16 1 1 A 32 32 GLU N N 29 118.871 120.669 -1.798 1
1 381 . 16 1 1 A 32 32 GLU H H 29 8.550 8.110 0.440 1
1 382 . 16 1 1 A 32 32 GLU CA C 29 58.770 59.234 -0.464 1
1 383 . 16 1 1 A 32 32 GLU HA H 29 4.056 4.076 -0.020 1
1 384 . 16 1 1 A 32 32 GLU CB C 29 29.214 29.764 -0.550 1
1 390 . 16 1 1 A 32 32 GLU C C 29 178.791 178.538 0.253 1
1 391 . 16 1 1 A 33 33 THR N N 30 117.719 114.092 3.627 1
1 392 . 16 1 1 A 33 33 THR H H 30 8.205 8.507 -0.302 1
1 393 . 16 1 1 A 33 33 THR CA C 30 67.465 65.661 1.804 1
1 394 . 16 1 1 A 33 33 THR HA H 30 3.816 4.057 -0.241 1
1 395 . 16 1 1 A 33 33 THR CB C 30 66.888 68.127 -1.239 1
1 401 . 16 1 1 A 33 33 THR C C 30 175.681 177.284 -1.603 1
1 402 . 16 1 1 A 34 34 ILE N N 31 123.925 123.582 0.343 1
1 403 . 16 1 1 A 34 34 ILE H H 31 8.698 8.257 0.441 1
1 404 . 16 1 1 A 34 34 ILE CA C 31 66.438 64.853 1.585 1
1 405 . 16 1 1 A 34 34 ILE HA H 31 3.442 3.614 -0.172 1
1 406 . 16 1 1 A 34 34 ILE CB C 31 37.311 37.891 -0.580 1
1 416 . 16 1 1 A 34 34 ILE C C 31 176.731 178.029 -1.298 1
1 417 . 16 1 1 A 35 35 THR N N 32 116.478 118.099 -1.621 1
1 418 . 16 1 1 A 35 35 THR H H 32 7.956 8.010 -0.054 1
1 419 . 16 1 1 A 35 35 THR CA C 32 66.447 66.962 -0.515 1
1 420 . 16 1 1 A 35 35 THR HA H 32 3.929 3.954 -0.025 1
1 421 . 16 1 1 A 35 35 THR CB C 32 67.964 67.992 -0.028 1
1 427 . 16 1 1 A 35 35 THR C C 32 176.226 176.279 -0.053 1
1 428 . 16 1 1 A 36 36 LEU N N 33 119.834 120.047 -0.213 1
1 429 . 16 1 1 A 36 36 LEU H H 33 7.663 7.836 -0.173 1
1 430 . 16 1 1 A 36 36 LEU CA C 33 57.274 57.152 0.122 1
1 431 . 16 1 1 A 36 36 LEU HA H 33 4.075 4.039 0.036 1
1 432 . 16 1 1 A 36 36 LEU CB C 33 42.188 41.704 0.484 1
1 445 . 16 1 1 A 36 36 LEU C C 33 179.412 179.273 0.139 1
1 446 . 16 1 1 A 37 37 MET N N 34 119.993 118.472 1.521 1
1 447 . 16 1 1 A 37 37 MET H H 34 8.509 8.489 0.020 1
1 448 . 16 1 1 A 37 37 MET CA C 34 57.865 58.262 -0.397 1
1 449 . 16 1 1 A 37 37 MET HA H 34 3.865 4.335 -0.470 1
1 450 . 16 1 1 A 37 37 MET CB C 34 28.735 31.216 -2.481 1
1 460 . 16 1 1 A 37 37 MET C C 34 178.772 178.040 0.732 1
1 461 . 16 1 1 A 38 38 GLU N N 35 120.011 118.363 1.648 1
1 462 . 16 1 1 A 38 38 GLU H H 35 8.321 8.718 -0.397 1
1 463 . 16 1 1 A 38 38 GLU CA C 35 58.442 59.006 -0.564 1
1 464 . 16 1 1 A 38 38 GLU HA H 35 3.928 4.142 -0.214 1
1 465 . 16 1 1 A 38 38 GLU CB C 35 28.943 28.781 0.162 1
1 471 . 16 1 1 A 38 38 GLU C C 35 176.040 177.359 -1.319 1
1 472 . 16 1 1 A 39 39 LEU N N 36 118.349 117.548 0.801 1
1 473 . 16 1 1 A 39 39 LEU H H 36 7.441 7.609 -0.168 1
1 474 . 16 1 1 A 39 39 LEU CA C 36 54.614 53.969 0.645 1
1 475 . 16 1 1 A 39 39 LEU HA H 36 4.393 4.491 -0.098 1
1 476 . 16 1 1 A 39 39 LEU CB C 36 42.210 41.704 0.506 1
1 489 . 16 1 1 A 39 39 LEU C C 36 178.113 176.309 1.804 1
1 490 . 16 1 1 A 40 40 LEU N N 37 118.362 122.047 -3.685 1
1 491 . 16 1 1 A 40 40 LEU H H 37 7.464 7.328 0.136 1
1 492 . 16 1 1 A 40 40 LEU CA C 37 54.659 56.052 -1.393 1
1 493 . 16 1 1 A 40 40 LEU HA H 37 4.400 4.159 0.241 1
1 494 . 16 1 1 A 40 40 LEU CB C 37 40.993 42.608 -1.615 1
1 507 . 16 1 1 A 40 40 LEU C C 37 177.827 176.456 1.371 1
1 508 . 16 1 1 A 41 41 LYS N N 38 120.851 122.167 -1.316 1
1 509 . 16 1 1 A 41 41 LYS H H 38 9.254 8.184 1.070 1
1 510 . 16 1 1 A 41 41 LYS CA C 38 54.727 54.781 -0.054 1
1 511 . 16 1 1 A 41 41 LYS HA H 38 4.572 4.664 -0.092 1
1 512 . 16 1 1 A 41 41 LYS CB C 38 33.768 33.738 0.030 1
1 524 . 16 1 1 A 41 41 LYS C C 38 177.911 178.107 -0.196 1
1 525 . 16 1 1 A 42 42 VAL N N 39 122.215 119.013 3.202 1
1 526 . 16 1 1 A 42 42 VAL H H 39 9.039 8.747 0.292 1
1 527 . 16 1 1 A 42 42 VAL CA C 39 67.408 65.368 2.040 1
1 528 . 16 1 1 A 42 42 VAL HA H 39 3.699 3.691 0.008 1
1 529 . 16 1 1 A 42 42 VAL CB C 39 31.056 31.654 -0.598 1
1 539 . 16 1 1 A 42 42 VAL C C 39 176.560 177.538 -0.978 1
1 540 . 16 1 1 A 43 43 SER N N 40 114.377 116.973 -2.596 1
1 541 . 16 1 1 A 43 43 SER H H 40 8.686 8.173 0.513 1
1 542 . 16 1 1 A 43 43 SER CA C 40 61.144 61.599 -0.455 1
1 543 . 16 1 1 A 43 43 SER HA H 40 3.933 4.055 -0.122 1
1 544 . 16 1 1 A 43 43 SER CB C 40 60.933 63.027 -2.094 1
1 547 . 16 1 1 A 43 43 SER C C 40 175.910 177.084 -1.174 1
1 548 . 16 1 1 A 44 44 GLU N N 41 122.833 121.791 1.042 1
1 549 . 16 1 1 A 44 44 GLU H H 41 6.661 8.183 -1.522 1
1 550 . 16 1 1 A 44 44 GLU CA C 41 57.315 58.976 -1.661 1
1 551 . 16 1 1 A 44 44 GLU HA H 41 4.363 4.128 0.235 1
1 552 . 16 1 1 A 44 44 GLU CB C 41 30.399 29.491 0.908 1
1 558 . 16 1 1 A 44 44 GLU C C 41 178.185 178.978 -0.793 1
1 559 . 16 1 1 A 45 45 LEU N N 42 119.110 120.351 -1.241 1
1 560 . 16 1 1 A 45 45 LEU H H 42 8.393 8.670 -0.277 1
1 561 . 16 1 1 A 45 45 LEU CA C 42 57.359 57.715 -0.356 1
1 562 . 16 1 1 A 45 45 LEU HA H 42 3.918 3.924 -0.006 1
1 563 . 16 1 1 A 45 45 LEU CB C 42 42.476 41.575 0.901 1
1 576 . 16 1 1 A 45 45 LEU C C 42 179.735 179.115 0.620 1
1 577 . 16 1 1 A 46 46 LYS N N 43 118.025 118.900 -0.875 1
1 578 . 16 1 1 A 46 46 LYS H H 43 8.596 8.178 0.418 1
1 579 . 16 1 1 A 46 46 LYS CA C 43 60.844 59.490 1.354 1
1 580 . 16 1 1 A 46 46 LYS HA H 43 3.816 3.924 -0.108 1
1 581 . 16 1 1 A 46 46 LYS CB C 43 31.918 32.005 -0.087 1
1 593 . 16 1 1 A 46 46 LYS C C 43 177.672 178.338 -0.666 1
1 594 . 16 1 1 A 47 47 ASP N N 44 119.267 119.516 -0.249 1
1 595 . 16 1 1 A 47 47 ASP H H 44 7.448 8.221 -0.773 1
1 596 . 16 1 1 A 47 47 ASP CA C 44 57.422 57.388 0.034 1
1 597 . 16 1 1 A 47 47 ASP HA H 44 4.555 4.379 0.176 1
1 598 . 16 1 1 A 47 47 ASP CB C 44 39.264 40.828 -1.564 1
1 601 . 16 1 1 A 47 47 ASP C C 44 179.284 179.096 0.188 1
1 602 . 16 1 1 A 48 48 ILE N N 45 120.817 118.932 1.885 1
1 603 . 16 1 1 A 48 48 ILE H H 45 7.871 7.974 -0.103 1
1 604 . 16 1 1 A 48 48 ILE CA C 45 64.604 65.489 -0.885 1
1 605 . 16 1 1 A 48 48 ILE HA H 45 3.653 3.688 -0.035 1
1 606 . 16 1 1 A 48 48 ILE CB C 45 36.293 38.685 -2.392 1
1 619 . 16 1 1 A 48 48 ILE C C 45 177.180 177.501 -0.321 1
1 620 . 16 1 1 A 49 49 CYS N N 46 117.775 119.538 -1.763 1
1 621 . 16 1 1 A 49 49 CYS H H 46 8.543 8.371 0.172 1
1 622 . 16 1 1 A 49 49 CYS CA C 46 64.971 63.481 1.490 1
1 623 . 16 1 1 A 49 49 CYS HA H 46 3.852 4.057 -0.205 1
1 624 . 16 1 1 A 49 49 CYS CB C 46 25.872 26.751 -0.879 1
1 627 . 16 1 1 A 49 49 CYS C C 46 176.288 177.218 -0.930 1
1 628 . 16 1 1 A 50 50 ARG N N 47 118.702 122.433 -3.731 1
1 629 . 16 1 1 A 50 50 ARG H H 47 8.626 8.159 0.467 1
1 630 . 16 1 1 A 50 50 ARG CA C 47 58.983 59.167 -0.184 1
1 631 . 16 1 1 A 50 50 ARG HA H 47 4.058 4.037 0.021 1
1 632 . 16 1 1 A 50 50 ARG CB C 47 29.512 29.853 -0.341 1
1 648 . 16 1 1 A 50 50 ARG C C 47 179.270 177.907 1.363 1
1 649 . 16 1 1 A 51 51 SER N N 48 114.502 114.547 -0.045 1
1 650 . 16 1 1 A 51 51 SER H H 48 7.514 7.895 -0.381 1
1 651 . 16 1 1 A 51 51 SER CA C 48 61.745 61.665 0.080 1
1 652 . 16 1 1 A 51 51 SER HA H 48 4.308 4.261 0.047 1
1 653 . 16 1 1 A 51 51 SER CB C 48 62.780 63.227 -0.447 1
1 656 . 16 1 1 A 51 51 SER C C 48 176.764 176.411 0.353 1
1 657 . 16 1 1 A 52 52 VAL N N 49 113.832 119.518 -5.686 1
1 658 . 16 1 1 A 52 52 VAL H H 49 7.511 8.002 -0.491 1
1 659 . 16 1 1 A 52 52 VAL CA C 49 60.751 62.071 -1.320 1
1 660 . 16 1 1 A 52 52 VAL HA H 49 3.760 3.717 0.043 1
1 661 . 16 1 1 A 52 52 VAL CB C 49 30.719 31.338 -0.619 1
1 671 . 16 1 1 A 52 52 VAL C C 49 173.462 174.872 -1.410 1
1 672 . 16 1 1 A 53 53 SER N N 50 112.698 114.918 -2.220 1
1 673 . 16 1 1 A 53 53 SER H H 50 7.653 7.960 -0.307 1
1 674 . 16 1 1 A 53 53 SER CA C 50 59.025 59.618 -0.593 1
1 675 . 16 1 1 A 53 53 SER HA H 50 3.911 4.072 -0.161 1
1 676 . 16 1 1 A 53 53 SER CB C 50 60.895 61.156 -0.261 1
1 679 . 16 1 1 A 53 53 SER C C 50 174.065 173.299 0.766 1
1 680 . 16 1 1 A 54 54 PHE N N 51 120.132 120.251 -0.119 1
1 681 . 16 1 1 A 54 54 PHE H H 51 8.332 7.634 0.698 1
1 682 . 16 1 1 A 54 54 PHE CA C 51 51.743 56.667 -4.924 1
1 683 . 16 1 1 A 54 54 PHE HA H 51 5.171 4.432 0.739 1
1 684 . 16 1 1 A 54 54 PHE CB C 51 37.762 38.435 -0.673 1
1 696 . 16 1 1 A 55 55 PRO CA C 52 62.176 62.715 -0.539 1
1 697 . 16 1 1 A 55 55 PRO HA H 52 4.417 4.716 -0.299 1
1 698 . 16 1 1 A 55 55 PRO CB C 52 31.347 31.714 -0.367 1
1 706 . 16 1 1 A 55 55 PRO C C 52 176.296 176.912 -0.616 1
1 707 . 16 1 1 A 56 56 VAL N N 53 109.933 125.432 -15.499 1
1 708 . 16 1 1 A 56 56 VAL H H 53 7.986 8.918 -0.932 1
1 709 . 16 1 1 A 56 56 VAL CA C 53 59.863 62.229 -2.366 1
1 710 . 16 1 1 A 56 56 VAL HA H 53 4.404 4.379 0.025 1
1 711 . 16 1 1 A 56 56 VAL CB C 53 31.483 32.112 -0.629 1
1 721 . 16 1 1 A 56 56 VAL C C 53 175.074 176.362 -1.288 1
1 722 . 16 1 1 A 57 57 SER N N 54 114.614 116.855 -2.241 1
1 723 . 16 1 1 A 57 57 SER H H 54 7.304 8.054 -0.750 1
1 724 . 16 1 1 A 57 57 SER CA C 54 57.295 59.400 -2.105 1
1 725 . 16 1 1 A 57 57 SER HA H 54 4.363 4.394 -0.031 1
1 726 . 16 1 1 A 57 57 SER CB C 54 63.351 63.234 0.117 1
1 729 . 16 1 1 A 57 57 SER C C 54 174.225 175.387 -1.162 1
1 730 . 16 1 1 A 58 58 GLY N N 55 110.300 111.276 -0.976 1
1 731 . 16 1 1 A 58 58 GLY H H 55 8.545 7.802 0.743 1
1 732 . 16 1 1 A 58 58 GLY CA C 55 43.806 44.291 -0.485 1
1 733 . 16 1 1 A 58 58 GLY HA2 H 55 4.009 4.008 0.001 1
1 734 . 16 1 1 A 58 58 GLY HA3 H 55 3.715 4.017 -0.302 1
1 735 . 16 1 1 A 58 58 GLY C C 55 172.483 173.170 -0.687 1
1 736 . 16 1 1 A 59 59 ARG N N 56 116.392 120.029 -3.637 1
1 737 . 16 1 1 A 59 59 ARG H H 56 7.913 8.652 -0.739 1
1 738 . 16 1 1 A 59 59 ARG CA C 56 54.769 54.004 0.765 1
1 739 . 16 1 1 A 59 59 ARG HA H 56 4.371 4.845 -0.474 1
1 740 . 16 1 1 A 59 59 ARG CB C 56 30.447 32.518 -2.071 1
1 752 . 16 1 1 A 59 59 ARG C C 56 176.019 176.342 -0.323 1
1 753 . 16 1 1 A 60 60 LYS N N 57 122.009 117.393 4.616 1
1 754 . 16 1 1 A 60 60 LYS H H 57 8.811 8.910 -0.099 1
1 755 . 16 1 1 A 60 60 LYS CA C 57 61.236 59.183 2.053 1
1 756 . 16 1 1 A 60 60 LYS HA H 57 3.606 4.029 -0.423 1
1 757 . 16 1 1 A 60 60 LYS CB C 57 32.419 32.060 0.359 1
1 769 . 16 1 1 A 60 60 LYS C C 57 176.824 178.963 -2.139 1
1 770 . 16 1 1 A 61 61 ALA N N 58 116.880 121.687 -4.807 1
1 771 . 16 1 1 A 61 61 ALA H H 58 8.794 7.891 0.903 1
1 772 . 16 1 1 A 61 61 ALA CA C 58 54.617 55.127 -0.510 1
1 773 . 16 1 1 A 61 61 ALA HA H 58 4.129 4.036 0.093 1
1 777 . 16 1 1 A 61 61 ALA CB C 58 18.103 18.392 -0.289 1
1 778 . 16 1 1 A 61 61 ALA C C 58 179.574 180.047 -0.473 1
1 779 . 16 1 1 A 62 62 VAL N N 59 117.408 118.467 -1.059 1
1 780 . 16 1 1 A 62 62 VAL H H 59 7.047 7.845 -0.798 1
1 781 . 16 1 1 A 62 62 VAL CA C 59 64.864 66.728 -1.864 1
1 782 . 16 1 1 A 62 62 VAL HA H 59 3.701 3.538 0.163 1
1 783 . 16 1 1 A 62 62 VAL CB C 59 31.301 31.234 0.067 1
1 793 . 16 1 1 A 62 62 VAL C C 59 178.103 178.443 -0.340 1
1 794 . 16 1 1 A 63 63 LEU N N 60 119.573 119.845 -0.272 1
1 795 . 16 1 1 A 63 63 LEU H H 60 7.585 8.063 -0.478 1
1 796 . 16 1 1 A 63 63 LEU CA C 60 57.571 58.067 -0.496 1
1 797 . 16 1 1 A 63 63 LEU HA H 60 3.923 3.792 0.131 1
1 798 . 16 1 1 A 63 63 LEU CB C 60 41.711 41.624 0.087 1
1 810 . 16 1 1 A 63 63 LEU C C 60 178.692 178.933 -0.241 1
1 811 . 16 1 1 A 64 64 GLN N N 61 114.206 117.225 -3.019 1
1 812 . 16 1 1 A 64 64 GLN H H 61 8.373 8.680 -0.307 1
1 813 . 16 1 1 A 64 64 GLN CA C 61 58.039 58.373 -0.334 1
1 814 . 16 1 1 A 64 64 GLN HA H 61 4.090 4.008 0.082 1
1 815 . 16 1 1 A 64 64 GLN CB C 61 28.670 28.079 0.591 1
1 821 . 16 1 1 A 64 64 GLN C C 61 178.207 177.339 0.868 1
1 822 . 16 1 1 A 65 65 ASP N N 62 118.671 120.160 -1.489 1
1 823 . 16 1 1 A 65 65 ASP H H 62 7.973 7.728 0.245 1
1 824 . 16 1 1 A 65 65 ASP CA C 62 56.961 57.349 -0.388 1
1 825 . 16 1 1 A 65 65 ASP HA H 62 4.353 4.456 -0.103 1
1 826 . 16 1 1 A 65 65 ASP CB C 62 39.856 40.800 -0.944 1
1 829 . 16 1 1 A 65 65 ASP C C 62 178.113 178.915 -0.802 1
1 830 . 16 1 1 A 66 66 LEU N N 63 119.708 120.690 -0.982 1
1 831 . 16 1 1 A 66 66 LEU H H 63 7.970 8.110 -0.140 1
1 832 . 16 1 1 A 66 66 LEU CA C 63 57.549 57.841 -0.292 1
1 833 . 16 1 1 A 66 66 LEU HA H 63 3.838 3.959 -0.121 1
1 834 . 16 1 1 A 66 66 LEU CB C 63 41.235 41.715 -0.480 1
1 847 . 16 1 1 A 66 66 LEU C C 63 180.041 179.039 1.002 1
1 848 . 16 1 1 A 67 67 ILE N N 64 118.309 119.564 -1.255 1
1 849 . 16 1 1 A 67 67 ILE H H 64 7.555 7.989 -0.434 1
1 850 . 16 1 1 A 67 67 ILE CA C 64 63.895 64.010 -0.115 1
1 851 . 16 1 1 A 67 67 ILE HA H 64 3.794 3.583 0.211 1
1 852 . 16 1 1 A 67 67 ILE CB C 64 37.181 37.130 0.051 1
1 865 . 16 1 1 A 67 67 ILE C C 64 176.949 177.989 -1.040 1
1 866 . 16 1 1 A 68 68 ARG N N 65 122.359 120.885 1.474 1
1 867 . 16 1 1 A 68 68 ARG H H 65 9.489 8.317 1.172 1
1 868 . 16 1 1 A 68 68 ARG CA C 65 60.488 60.057 0.431 1
1 869 . 16 1 1 A 68 68 ARG HA H 65 3.692 3.871 -0.179 1
1 870 . 16 1 1 A 68 68 ARG CB C 65 29.897 30.198 -0.301 1
1 880 . 16 1 1 A 68 68 ARG C C 65 177.728 178.934 -1.206 1
1 881 . 16 1 1 A 69 69 ASN N N 66 116.248 116.489 -0.241 1
1 882 . 16 1 1 A 69 69 ASN H H 66 8.546 8.676 -0.130 1
1 883 . 16 1 1 A 69 69 ASN CA C 66 55.945 56.408 -0.463 1
1 884 . 16 1 1 A 69 69 ASN HA H 66 4.391 4.512 -0.121 1
1 885 . 16 1 1 A 69 69 ASN CB C 66 37.828 38.175 -0.347 1
1 891 . 16 1 1 A 69 69 ASN C C 66 176.520 178.394 -1.874 1
1 892 . 16 1 1 A 70 70 PHE N N 67 121.134 119.089 2.045 1
1 893 . 16 1 1 A 70 70 PHE H H 67 7.693 8.270 -0.577 1
1 894 . 16 1 1 A 70 70 PHE CA C 67 60.170 60.639 -0.469 1
1 895 . 16 1 1 A 70 70 PHE HA H 67 4.535 4.348 0.187 1
1 896 . 16 1 1 A 70 70 PHE CB C 67 39.838 38.998 0.840 1
1 902 . 16 1 1 A 70 70 PHE C C 67 177.756 178.356 -0.600 1
1 903 . 16 1 1 A 71 71 LEU N N 68 117.959 119.415 -1.456 1
1 904 . 16 1 1 A 71 71 LEU H H 68 8.336 8.588 -0.252 1
1 905 . 16 1 1 A 71 71 LEU CA C 68 57.468 58.081 -0.613 1
1 906 . 16 1 1 A 71 71 LEU HA H 68 3.828 3.944 -0.116 1
1 907 . 16 1 1 A 71 71 LEU CB C 68 42.156 41.540 0.616 1
1 919 . 16 1 1 A 71 71 LEU C C 68 178.037 178.831 -0.794 1
1 920 . 16 1 1 A 72 72 GLN N N 69 117.479 117.154 0.325 1
1 921 . 16 1 1 A 72 72 GLN H H 69 8.802 8.060 0.742 1
1 922 . 16 1 1 A 72 72 GLN CA C 69 58.632 58.599 0.033 1
1 923 . 16 1 1 A 72 72 GLN HA H 69 3.906 4.227 -0.321 1
1 924 . 16 1 1 A 72 72 GLN CB C 69 27.010 28.157 -1.147 1
1 933 . 16 1 1 A 72 72 GLN C C 69 179.337 177.554 1.783 1
1 934 . 16 1 1 A 73 73 ASN N N 70 117.551 117.227 0.324 1
1 935 . 16 1 1 A 73 73 ASN H H 70 8.124 8.200 -0.076 1
1 936 . 16 1 1 A 73 73 ASN CA C 70 54.051 55.686 -1.635 1
1 937 . 16 1 1 A 73 73 ASN HA H 70 4.602 4.490 0.112 1
1 938 . 16 1 1 A 73 73 ASN CB C 70 37.810 37.950 -0.140 1
1 944 . 16 1 1 A 73 73 ASN C C 70 175.490 177.761 -2.271 1
1 945 . 16 1 1 A 74 74 ALA N N 71 120.962 120.447 0.515 1
1 946 . 16 1 1 A 74 74 ALA H H 71 7.787 7.817 -0.030 1
1 947 . 16 1 1 A 74 74 ALA CA C 71 53.143 54.170 -1.027 1
1 948 . 16 1 1 A 74 74 ALA HA H 71 4.193 4.120 0.073 1
1 952 . 16 1 1 A 74 74 ALA CB C 71 19.064 18.341 0.723 1
1 953 . 16 1 1 A 74 74 ALA C C 71 176.255 178.280 -2.025 1
1 954 . 16 1 1 A 75 75 LEU N N 72 112.822 114.969 -2.147 1
1 955 . 16 1 1 A 75 75 LEU H H 72 7.381 7.705 -0.324 1
1 956 . 16 1 1 A 75 75 LEU CA C 72 52.987 54.161 -1.174 1
1 957 . 16 1 1 A 75 75 LEU HA H 72 4.305 4.434 -0.129 1
1 958 . 16 1 1 A 75 75 LEU CB C 72 41.490 42.028 -0.538 1
1 971 . 16 1 1 A 75 75 LEU C C 72 175.867 175.922 -0.055 1
1 972 . 16 1 1 A 76 76 VAL N N 73 120.671 120.904 -0.233 1
1 973 . 16 1 1 A 76 76 VAL H H 73 6.797 6.898 -0.101 1
1 974 . 16 1 1 A 76 76 VAL CA C 73 62.994 62.211 0.783 1
1 975 . 16 1 1 A 76 76 VAL HA H 73 3.707 4.011 -0.304 1
1 976 . 16 1 1 A 76 76 VAL CB C 73 32.014 32.513 -0.499 1
1 986 . 16 1 1 A 76 76 VAL C C 73 176.144 175.945 0.199 1
1 987 . 16 1 1 A 77 77 VAL N N 74 128.303 126.924 1.379 1
1 988 . 16 1 1 A 77 77 VAL H H 74 8.407 8.641 -0.234 1
1 989 . 16 1 1 A 77 77 VAL CA C 74 64.673 64.835 -0.162 1
1 990 . 16 1 1 A 77 77 VAL HA H 74 3.651 3.652 -0.001 1
1 991 . 16 1 1 A 77 77 VAL CB C 74 30.789 31.026 -0.237 1
1 1001 . 16 1 1 A 77 77 VAL C C 74 176.911 177.290 -0.379 1
1 1002 . 16 1 1 A 78 78 GLY N N 75 116.087 115.529 0.558 1
1 1003 . 16 1 1 A 78 78 GLY H H 75 8.827 8.723 0.104 1
1 1004 . 16 1 1 A 78 78 GLY CA C 75 45.004 45.636 -0.632 1
1 1005 . 16 1 1 A 78 78 GLY HA2 H 75 4.236 4.010 0.226 1
1 1006 . 16 1 1 A 78 78 GLY HA3 H 75 3.738 4.010 -0.272 1
1 1007 . 16 1 1 A 78 78 GLY C C 75 173.779 173.729 0.050 1
1 1008 . 16 1 1 A 79 79 LYS N N 76 121.612 119.935 1.677 1
1 1009 . 16 1 1 A 79 79 LYS H H 76 8.140 7.384 0.756 1
1 1010 . 16 1 1 A 79 79 LYS CA C 76 54.078 57.647 -3.569 1
1 1011 . 16 1 1 A 79 79 LYS HA H 76 4.588 4.636 -0.048 1
1 1012 . 16 1 1 A 79 79 LYS CB C 76 32.708 34.696 -1.988 1
1 1024 . 16 1 1 A 79 79 LYS C C 76 175.177 176.030 -0.853 1
1 1025 . 16 1 1 A 80 80 SER N N 77 117.166 113.238 3.928 1
1 1026 . 16 1 1 A 80 80 SER H H 77 8.241 7.923 0.318 1
1 1027 . 16 1 1 A 80 80 SER CA C 77 59.173 60.253 -1.080 1
1 1028 . 16 1 1 A 80 80 SER HA H 77 4.356 4.624 -0.268 1
1 1029 . 16 1 1 A 80 80 SER CB C 77 63.288 62.071 1.217 1
1 1032 . 16 1 1 A 80 80 SER C C 77 174.793 172.422 2.371 1
1 1033 . 16 1 1 A 81 81 ASP N N 78 118.775 122.850 -4.075 1
1 1034 . 16 1 1 A 81 81 ASP H H 78 8.506 8.610 -0.104 1
1 1035 . 16 1 1 A 81 81 ASP CA C 78 50.069 51.312 -1.243 1
1 1036 . 16 1 1 A 81 81 ASP HA H 78 5.423 4.919 0.504 1
1 1037 . 16 1 1 A 81 81 ASP CB C 78 41.498 41.297 0.201 1
1 1041 . 16 1 1 A 82 82 PRO CA C 79 63.656 64.204 -0.548 1
1 1042 . 16 1 1 A 82 82 PRO HA H 79 4.271 4.378 -0.107 1
1 1043 . 16 1 1 A 82 82 PRO CB C 79 31.303 31.759 -0.456 1
1 1051 . 16 1 1 A 82 82 PRO C C 79 178.645 177.716 0.929 1
1 1052 . 16 1 1 A 83 83 TYR N N 80 117.360 117.537 -0.177 1
1 1053 . 16 1 1 A 83 83 TYR H H 80 7.561 7.311 0.250 1
1 1054 . 16 1 1 A 83 83 TYR CA C 80 59.635 61.456 -1.821 1
1 1055 . 16 1 1 A 83 83 TYR HA H 80 4.163 4.386 -0.223 1
1 1056 . 16 1 1 A 83 83 TYR CB C 80 35.602 38.186 -2.584 1
1 1065 . 16 1 1 A 83 83 TYR C C 80 176.904 178.654 -1.750 1
1 1066 . 16 1 1 A 84 84 ARG N N 81 120.833 119.048 1.785 1
1 1067 . 16 1 1 A 84 84 ARG H H 81 7.898 8.329 -0.431 1
1 1068 . 16 1 1 A 84 84 ARG CA C 81 58.332 59.158 -0.826 1
1 1069 . 16 1 1 A 84 84 ARG HA H 81 4.615 4.319 0.296 1
1 1070 . 16 1 1 A 84 84 ARG CB C 81 28.242 29.887 -1.645 1
1 1071 . 16 1 1 A 84 84 ARG C C 81 176.940 179.106 -2.166 1
1 1072 . 16 1 1 A 85 85 VAL N N 82 117.345 120.087 -2.742 1
1 1073 . 16 1 1 A 85 85 VAL H H 82 6.971 8.153 -1.182 1
1 1074 . 16 1 1 A 85 85 VAL CA C 82 65.663 67.072 -1.409 1
1 1075 . 16 1 1 A 85 85 VAL HA H 82 3.417 3.626 -0.209 1
1 1076 . 16 1 1 A 85 85 VAL CB C 82 31.165 31.699 -0.534 1
1 1085 . 16 1 1 A 85 85 VAL C C 82 176.601 177.937 -1.336 1
1 1086 . 16 1 1 A 86 86 GLN N N 83 117.137 119.869 -2.732 1
1 1087 . 16 1 1 A 86 86 GLN H H 83 7.536 8.500 -0.964 1
1 1088 . 16 1 1 A 86 86 GLN CA C 83 58.230 58.517 -0.287 1
1 1089 . 16 1 1 A 86 86 GLN HA H 83 3.953 4.119 -0.166 1
1 1090 . 16 1 1 A 86 86 GLN CB C 83 28.240 28.049 0.191 1
1 1099 . 16 1 1 A 86 86 GLN C C 83 178.602 178.112 0.490 1
1 1100 . 16 1 1 A 87 87 ALA N N 84 121.452 122.786 -1.334 1
1 1101 . 16 1 1 A 87 87 ALA H H 84 8.843 8.059 0.784 1
1 1102 . 16 1 1 A 87 87 ALA CA C 84 54.905 55.260 -0.355 1
1 1103 . 16 1 1 A 87 87 ALA HA H 84 4.048 4.219 -0.171 1
1 1107 . 16 1 1 A 87 87 ALA CB C 84 18.088 18.626 -0.538 1
1 1108 . 16 1 1 A 87 87 ALA C C 84 178.498 179.895 -1.397 1
1 1109 . 16 1 1 A 88 88 VAL N N 85 117.570 118.403 -0.833 1
1 1110 . 16 1 1 A 88 88 VAL H H 85 8.515 8.567 -0.052 1
1 1111 . 16 1 1 A 88 88 VAL CA C 85 67.315 66.523 0.792 1
1 1112 . 16 1 1 A 88 88 VAL HA H 85 3.764 3.570 0.194 1
1 1113 . 16 1 1 A 88 88 VAL CB C 85 30.610 31.709 -1.099 1
1 1123 . 16 1 1 A 88 88 VAL C C 85 177.138 177.916 -0.778 1
1 1124 . 16 1 1 A 89 89 LYS N N 86 120.005 120.873 -0.868 1
1 1125 . 16 1 1 A 89 89 LYS H H 86 8.612 8.385 0.227 1
1 1126 . 16 1 1 A 89 89 LYS CA C 86 60.851 59.382 1.469 1
1 1127 . 16 1 1 A 89 89 LYS HA H 86 3.827 3.973 -0.146 1
1 1128 . 16 1 1 A 89 89 LYS CB C 86 31.974 32.186 -0.212 1
1 1140 . 16 1 1 A 89 89 LYS C C 86 178.096 178.760 -0.664 1
1 1141 . 16 1 1 A 90 90 PHE N N 87 119.839 120.258 -0.419 1
1 1142 . 16 1 1 A 90 90 PHE H H 87 8.184 7.874 0.310 1
1 1143 . 16 1 1 A 90 90 PHE CA C 87 60.604 61.231 -0.627 1
1 1144 . 16 1 1 A 90 90 PHE HA H 87 4.302 4.287 0.015 1
1 1145 . 16 1 1 A 90 90 PHE CB C 87 38.349 39.258 -0.909 1
1 1154 . 16 1 1 A 90 90 PHE C C 87 177.748 177.602 0.146 1
1 1155 . 16 1 1 A 91 91 LEU N N 88 118.977 119.524 -0.547 1
1 1156 . 16 1 1 A 91 91 LEU H H 88 8.604 8.680 -0.076 1
1 1157 . 16 1 1 A 91 91 LEU CA C 88 58.058 58.531 -0.473 1
1 1158 . 16 1 1 A 91 91 LEU HA H 88 3.975 3.870 0.105 1
1 1159 . 16 1 1 A 91 91 LEU CB C 88 41.114 42.167 -1.053 1
1 1169 . 16 1 1 A 91 91 LEU C C 88 178.106 179.124 -1.018 1
1 1170 . 16 1 1 A 92 92 ILE N N 89 118.378 118.775 -0.397 1
1 1171 . 16 1 1 A 92 92 ILE H H 89 8.420 8.731 -0.311 1
1 1172 . 16 1 1 A 92 92 ILE CA C 89 65.761 65.546 0.215 1
1 1173 . 16 1 1 A 92 92 ILE HA H 89 3.542 3.528 0.014 1
1 1174 . 16 1 1 A 92 92 ILE CB C 89 37.372 37.783 -0.411 1
1 1184 . 16 1 1 A 92 92 ILE C C 89 176.952 178.312 -1.360 1
1 1185 . 16 1 1 A 93 93 GLU N N 90 120.262 120.328 -0.066 1
1 1186 . 16 1 1 A 93 93 GLU H H 90 8.133 8.084 0.049 1
1 1187 . 16 1 1 A 93 93 GLU CA C 90 58.766 59.831 -1.065 1
1 1188 . 16 1 1 A 93 93 GLU HA H 90 4.038 3.882 0.156 1
1 1189 . 16 1 1 A 93 93 GLU CB C 90 28.466 28.858 -0.392 1
1 1195 . 16 1 1 A 93 93 GLU C C 90 178.689 179.051 -0.362 1
1 1196 . 16 1 1 A 94 94 ARG N N 91 117.630 119.339 -1.709 1
1 1197 . 16 1 1 A 94 94 ARG H H 91 7.952 8.140 -0.188 1
1 1198 . 16 1 1 A 94 94 ARG CA C 91 58.343 58.862 -0.519 1
1 1199 . 16 1 1 A 94 94 ARG HA H 91 3.941 3.949 -0.008 1
1 1200 . 16 1 1 A 94 94 ARG CB C 91 29.048 29.873 -0.825 1
1 1215 . 16 1 1 A 94 94 ARG C C 91 178.875 178.715 0.160 1
1 1216 . 16 1 1 A 95 95 ILE N N 92 120.056 121.228 -1.172 1
1 1217 . 16 1 1 A 95 95 ILE H H 92 8.225 7.973 0.252 1
1 1218 . 16 1 1 A 95 95 ILE CA C 92 63.296 65.122 -1.826 1
1 1219 . 16 1 1 A 95 95 ILE HA H 92 3.972 3.745 0.227 1
1 1220 . 16 1 1 A 95 95 ILE CB C 92 36.921 37.866 -0.945 1
1 1233 . 16 1 1 A 95 95 ILE C C 92 180.242 178.532 1.710 1
1 1234 . 16 1 1 A 96 96 ARG N N 93 121.023 120.755 0.268 1
1 1235 . 16 1 1 A 96 96 ARG H H 93 8.259 8.701 -0.442 1
1 1236 . 16 1 1 A 96 96 ARG CA C 93 58.401 57.819 0.582 1
1 1237 . 16 1 1 A 96 96 ARG HA H 93 4.068 4.181 -0.113 1
1 1238 . 16 1 1 A 96 96 ARG CB C 93 29.474 29.082 0.392 1
1 1254 . 16 1 1 A 96 96 ARG C C 93 177.500 176.831 0.669 1
1 1255 . 16 1 1 A 97 97 LYS N N 94 116.750 118.933 -2.183 1
1 1256 . 16 1 1 A 97 97 LYS H H 94 7.527 7.638 -0.111 1
1 1257 . 16 1 1 A 97 97 LYS CA C 94 55.282 56.134 -0.852 1
1 1258 . 16 1 1 A 97 97 LYS HA H 94 4.274 4.432 -0.158 1
1 1259 . 16 1 1 A 97 97 LYS CB C 94 32.112 33.433 -1.321 1
1 1271 . 16 1 1 A 97 97 LYS C C 94 174.901 176.148 -1.247 1
1 1272 . 16 1 1 A 98 98 ASN N N 95 116.979 118.228 -1.249 1
1 1273 . 16 1 1 A 98 98 ASN H H 95 8.150 7.966 0.184 1
1 1274 . 16 1 1 A 98 98 ASN CA C 95 53.822 53.893 -0.071 1
1 1275 . 16 1 1 A 98 98 ASN HA H 95 4.370 4.322 0.048 1
1 1276 . 16 1 1 A 98 98 ASN CB C 95 36.674 37.132 -0.458 1
1 1282 . 16 1 1 A 98 98 ASN C C 95 173.779 174.041 -0.262 1
1 1283 . 16 1 1 A 99 99 GLU N N 96 118.529 120.011 -1.482 1
1 1284 . 16 1 1 A 99 99 GLU H H 96 8.236 7.919 0.317 1
1 1285 . 16 1 1 A 99 99 GLU CA C 96 52.891 53.236 -0.345 1
1 1286 . 16 1 1 A 99 99 GLU HA H 96 4.673 4.852 -0.179 1
1 1287 . 16 1 1 A 99 99 GLU CB C 96 30.358 32.101 -1.743 1
1 1292 . 16 1 1 A 100 100 PRO CA C 97 62.037 62.615 -0.578 1
1 1293 . 16 1 1 A 100 100 PRO HA H 97 4.272 4.618 -0.346 1
1 1294 . 16 1 1 A 100 100 PRO CB C 97 31.609 32.688 -1.079 1
1 1302 . 16 1 1 A 100 100 PRO C C 97 176.184 175.705 0.479 1
1 1303 . 16 1 1 A 101 101 LEU N N 98 122.794 123.448 -0.654 1
1 1304 . 16 1 1 A 101 101 LEU H H 98 8.832 8.485 0.347 1
1 1305 . 16 1 1 A 101 101 LEU CA C 98 52.524 52.175 0.349 1
1 1306 . 16 1 1 A 101 101 LEU HA H 98 4.654 4.934 -0.280 1
1 1307 . 16 1 1 A 101 101 LEU CB C 98 40.422 42.469 -2.047 1
1 1321 . 16 1 1 A 102 102 PRO CA C 99 61.075 62.235 -1.160 1
1 1322 . 16 1 1 A 102 102 PRO HA H 99 4.629 4.610 0.019 1
1 1323 . 16 1 1 A 102 102 PRO CB C 99 31.778 33.210 -1.432 1
1 1328 . 16 1 1 A 102 102 PRO C C 99 174.604 176.394 -1.790 1
1 1329 . 16 1 1 A 103 103 VAL N N 100 120.834 120.925 -0.091 1
1 1330 . 16 1 1 A 103 103 VAL H H 100 8.661 8.527 0.134 1
1 1331 . 16 1 1 A 103 103 VAL CA C 100 62.977 62.754 0.223 1
1 1332 . 16 1 1 A 103 103 VAL HA H 100 3.860 4.136 -0.276 1
1 1333 . 16 1 1 A 103 103 VAL CB C 100 31.731 31.922 -0.191 1
1 1342 . 16 1 1 A 103 103 VAL C C 100 177.396 176.232 1.164 1
1 1343 . 16 1 1 A 104 104 TYR N N 101 129.973 126.748 3.225 1
1 1344 . 16 1 1 A 104 104 TYR H H 101 8.487 9.202 -0.715 1
1 1345 . 16 1 1 A 104 104 TYR CA C 101 62.855 61.941 0.914 1
1 1346 . 16 1 1 A 104 104 TYR HA H 101 3.802 4.107 -0.305 1
1 1347 . 16 1 1 A 104 104 TYR CB C 101 38.429 38.753 -0.324 1
1 1356 . 16 1 1 A 104 104 TYR C C 101 175.877 177.593 -1.716 1
1 1357 . 16 1 1 A 105 105 LYS N N 102 117.165 119.442 -2.277 1
1 1358 . 16 1 1 A 105 105 LYS H H 102 8.848 8.305 0.543 1
1 1359 . 16 1 1 A 105 105 LYS CA C 102 59.343 59.931 -0.588 1
1 1360 . 16 1 1 A 105 105 LYS HA H 102 3.810 3.853 -0.043 1
1 1361 . 16 1 1 A 105 105 LYS CB C 102 31.739 32.177 -0.438 1
1 1373 . 16 1 1 A 105 105 LYS C C 102 177.370 178.310 -0.940 1
1 1374 . 16 1 1 A 106 106 ASP N N 103 117.011 120.033 -3.022 1
1 1375 . 16 1 1 A 106 106 ASP H H 103 6.781 8.194 -1.413 1
1 1376 . 16 1 1 A 106 106 ASP CA C 103 56.155 57.772 -1.617 1
1 1377 . 16 1 1 A 106 106 ASP HA H 103 4.454 4.349 0.105 1
1 1378 . 16 1 1 A 106 106 ASP CB C 103 39.467 41.458 -1.991 1
1 1381 . 16 1 1 A 106 106 ASP C C 103 178.180 178.181 -0.001 1
1 1382 . 16 1 1 A 107 107 LEU N N 104 124.145 119.844 4.301 1
1 1383 . 16 1 1 A 107 107 LEU H H 104 7.687 8.309 -0.622 1
1 1384 . 16 1 1 A 107 107 LEU CA C 104 56.938 57.925 -0.987 1
1 1385 . 16 1 1 A 107 107 LEU HA H 104 4.000 3.919 0.081 1
1 1386 . 16 1 1 A 107 107 LEU CB C 104 41.707 41.738 -0.031 1
1 1399 . 16 1 1 A 107 107 LEU C C 104 176.403 178.636 -2.233 1
1 1400 . 16 1 1 A 108 108 TRP N N 105 120.039 120.405 -0.366 1
1 1401 . 16 1 1 A 108 108 TRP H H 105 9.072 8.170 0.902 1
1 1402 . 16 1 1 A 108 108 TRP CA C 105 62.392 60.255 2.137 1
1 1403 . 16 1 1 A 108 108 TRP HA H 105 3.547 3.834 -0.287 1
1 1404 . 16 1 1 A 108 108 TRP CB C 105 28.316 29.079 -0.763 1
1 1415 . 16 1 1 A 108 108 TRP C C 105 176.983 178.221 -1.238 1
1 1416 . 16 1 1 A 109 109 ASN N N 106 113.557 116.749 -3.192 1
1 1417 . 16 1 1 A 109 109 ASN H H 106 8.058 8.429 -0.371 1
1 1418 . 16 1 1 A 109 109 ASN CA C 106 55.662 55.969 -0.307 1
1 1419 . 16 1 1 A 109 109 ASN HA H 106 3.994 3.850 0.144 1
1 1420 . 16 1 1 A 109 109 ASN CB C 106 37.973 37.697 0.276 1
1 1426 . 16 1 1 A 109 109 ASN C C 106 176.928 177.386 -0.458 1
1 1427 . 16 1 1 A 110 110 ALA N N 107 121.997 122.477 -0.480 1
1 1428 . 16 1 1 A 110 110 ALA H H 107 7.718 7.786 -0.068 1
1 1429 . 16 1 1 A 110 110 ALA CA C 107 54.261 54.988 -0.727 1
1 1430 . 16 1 1 A 110 110 ALA HA H 107 3.979 4.018 -0.039 1
1 1434 . 16 1 1 A 110 110 ALA CB C 107 17.322 18.375 -1.053 1
1 1435 . 16 1 1 A 110 110 ALA C C 107 180.452 179.920 0.532 1
1 1436 . 16 1 1 A 111 111 LEU N N 108 119.150 117.715 1.435 1
1 1437 . 16 1 1 A 111 111 LEU H H 108 8.200 8.041 0.159 1
1 1438 . 16 1 1 A 111 111 LEU CA C 108 56.264 57.391 -1.127 1
1 1439 . 16 1 1 A 111 111 LEU HA H 108 3.857 3.896 -0.039 1
1 1440 . 16 1 1 A 111 111 LEU CB C 108 41.134 40.932 0.202 1
1 1453 . 16 1 1 A 111 111 LEU C C 108 178.144 179.139 -0.995 1
1 1454 . 16 1 1 A 112 112 ARG N N 109 117.178 120.137 -2.959 1
1 1455 . 16 1 1 A 112 112 ARG H H 109 7.365 7.793 -0.428 1
1 1456 . 16 1 1 A 112 112 ARG CA C 109 56.443 59.601 -3.158 1
1 1457 . 16 1 1 A 112 112 ARG HA H 109 2.642 3.779 -1.137 1
1 1458 . 16 1 1 A 112 112 ARG CB C 109 28.901 29.408 -0.507 1
1 1469 . 16 1 1 A 112 112 ARG C C 109 176.348 178.677 -2.329 1
1 1470 . 16 1 1 A 113 113 LYS N N 110 118.628 117.872 0.756 1
1 1471 . 16 1 1 A 113 113 LYS H H 110 7.145 7.660 -0.515 1
1 1472 . 16 1 1 A 113 113 LYS CA C 110 56.410 56.783 -0.373 1
1 1473 . 16 1 1 A 113 113 LYS HA H 110 4.018 4.174 -0.156 1
1 1474 . 16 1 1 A 113 113 LYS CB C 110 32.091 32.941 -0.850 1
1 1486 . 16 1 1 A 113 113 LYS C C 110 176.164 176.990 -0.826 1
1 5 . 17 1 1 A 2 2 SER N N -2 115.414 116.032 -0.618 1
1 6 . 17 1 1 A 2 2 SER H H -2 8.737 8.226 0.511 1
1 7 . 17 1 1 A 2 2 SER CA C -2 57.710 59.282 -1.572 1
1 8 . 17 1 1 A 2 2 SER HA H -2 4.446 5.033 -0.587 1
1 9 . 17 1 1 A 2 2 SER CB C -2 63.365 65.654 -2.289 1
1 12 . 17 1 1 A 2 2 SER C C -2 173.826 174.162 -0.336 1
1 40 . 17 1 1 A 5 5 ILE N N 2 122.114 119.688 2.426 1
1 41 . 17 1 1 A 5 5 ILE H H 2 8.292 7.365 0.927 1
1 42 . 17 1 1 A 5 5 ILE CA C 2 60.568 60.875 -0.307 1
1 43 . 17 1 1 A 5 5 ILE HA H 2 4.102 4.562 -0.460 1
1 44 . 17 1 1 A 5 5 ILE CB C 2 38.417 40.821 -2.404 1
1 57 . 17 1 1 A 5 5 ILE C C 2 174.970 174.401 0.569 1
1 58 . 17 1 1 A 6 6 ASN N N 3 122.794 125.377 -2.583 1
1 59 . 17 1 1 A 6 6 ASN H H 3 8.636 8.653 -0.017 1
1 60 . 17 1 1 A 6 6 ASN CA C 3 52.274 51.381 0.893 1
1 61 . 17 1 1 A 6 6 ASN HA H 3 4.712 5.565 -0.853 1
1 62 . 17 1 1 A 6 6 ASN CB C 3 38.194 40.463 -2.269 1
1 68 . 17 1 1 A 6 6 ASN C C 3 174.766 175.713 -0.947 1
1 69 . 17 1 1 A 7 7 LEU N N 4 123.220 124.865 -1.645 1
1 70 . 17 1 1 A 7 7 LEU H H 4 8.484 8.931 -0.447 1
1 71 . 17 1 1 A 7 7 LEU CA C 4 55.359 57.382 -2.023 1
1 72 . 17 1 1 A 7 7 LEU HA H 4 4.197 4.246 -0.049 1
1 73 . 17 1 1 A 7 7 LEU CB C 4 41.461 41.925 -0.464 1
1 86 . 17 1 1 A 7 7 LEU C C 4 177.248 178.002 -0.754 1
1 87 . 17 1 1 A 8 8 GLU N N 5 119.354 119.659 -0.305 1
1 88 . 17 1 1 A 8 8 GLU H H 5 8.455 8.003 0.452 1
1 89 . 17 1 1 A 8 8 GLU CA C 5 56.589 58.140 -1.551 1
1 90 . 17 1 1 A 8 8 GLU HA H 5 4.091 4.180 -0.089 1
1 91 . 17 1 1 A 8 8 GLU CB C 5 29.275 30.055 -0.780 1
1 97 . 17 1 1 A 8 8 GLU C C 5 175.981 177.334 -1.353 1
1 98 . 17 1 1 A 9 9 ASP N N 6 119.780 118.749 1.031 1
1 99 . 17 1 1 A 9 9 ASP H H 6 8.136 8.490 -0.354 1
1 100 . 17 1 1 A 9 9 ASP CA C 6 53.931 54.153 -0.222 1
1 101 . 17 1 1 A 9 9 ASP HA H 6 4.492 4.931 -0.439 1
1 102 . 17 1 1 A 9 9 ASP CB C 6 40.360 42.324 -1.964 1
1 105 . 17 1 1 A 9 9 ASP C C 6 175.397 175.746 -0.349 1
1 106 . 17 1 1 A 10 10 TYR N N 7 119.939 120.470 -0.531 1
1 107 . 17 1 1 A 10 10 TYR H H 7 7.902 7.742 0.160 1
1 108 . 17 1 1 A 10 10 TYR CA C 7 57.667 57.620 0.047 1
1 109 . 17 1 1 A 10 10 TYR HA H 7 4.431 4.824 -0.393 1
1 110 . 17 1 1 A 10 10 TYR CB C 7 38.236 38.584 -0.348 1
1 119 . 17 1 1 A 10 10 TYR C C 7 174.898 175.542 -0.644 1
1 120 . 17 1 1 A 11 11 TRP N N 8 122.648 121.052 1.596 1
1 121 . 17 1 1 A 11 11 TRP H H 8 7.917 8.003 -0.086 1
1 122 . 17 1 1 A 11 11 TRP CA C 8 56.562 58.029 -1.467 1
1 123 . 17 1 1 A 11 11 TRP HA H 8 4.578 4.325 0.253 1
1 124 . 17 1 1 A 11 11 TRP CB C 8 29.293 27.693 1.600 1
1 139 . 17 1 1 A 11 11 TRP C C 8 175.212 176.244 -1.032 1
1 140 . 17 1 1 A 12 12 GLU N N 9 122.189 119.972 2.217 1
1 141 . 17 1 1 A 12 12 GLU H H 9 8.030 7.714 0.316 1
1 142 . 17 1 1 A 12 12 GLU CA C 9 55.743 57.397 -1.654 1
1 143 . 17 1 1 A 12 12 GLU HA H 9 4.137 4.639 -0.502 1
1 144 . 17 1 1 A 12 12 GLU CB C 9 30.001 31.288 -1.287 1
1 150 . 17 1 1 A 12 12 GLU C C 9 175.138 177.373 -2.235 1
1 151 . 17 1 1 A 13 13 ASP N N 10 121.099 117.856 3.243 1
1 152 . 17 1 1 A 13 13 ASP H H 10 8.253 8.000 0.253 1
1 153 . 17 1 1 A 13 13 ASP CA C 10 53.843 53.526 0.317 1
1 154 . 17 1 1 A 13 13 ASP HA H 10 4.500 4.700 -0.200 1
1 155 . 17 1 1 A 13 13 ASP CB C 10 40.715 40.706 0.009 1
1 158 . 17 1 1 A 13 13 ASP C C 10 175.700 175.212 0.488 1
1 159 . 17 1 1 A 14 14 GLU N N 11 121.240 118.046 3.194 1
1 160 . 17 1 1 A 14 14 GLU H H 11 8.435 7.936 0.499 1
1 161 . 17 1 1 A 14 14 GLU CA C 11 55.858 57.374 -1.516 1
1 162 . 17 1 1 A 14 14 GLU HA H 11 4.289 3.764 0.525 1
1 163 . 17 1 1 A 14 14 GLU CB C 11 29.758 28.696 1.062 1
1 169 . 17 1 1 A 14 14 GLU C C 11 176.002 176.202 -0.200 1
1 170 . 17 1 1 A 15 15 THR N N 12 118.367 114.956 3.411 1
1 171 . 17 1 1 A 15 15 THR H H 12 8.407 7.771 0.636 1
1 172 . 17 1 1 A 15 15 THR CA C 12 59.646 60.313 -0.667 1
1 173 . 17 1 1 A 15 15 THR HA H 12 4.503 4.266 0.237 1
1 174 . 17 1 1 A 15 15 THR CB C 12 69.084 69.674 -0.590 1
1 181 . 17 1 1 A 16 16 PRO CA C 13 62.791 62.335 0.456 1
1 182 . 17 1 1 A 16 16 PRO HA H 13 4.408 4.584 -0.176 1
1 183 . 17 1 1 A 16 16 PRO CB C 13 31.771 33.407 -1.636 1
1 191 . 17 1 1 A 16 16 PRO C C 13 176.689 176.219 0.470 1
1 192 . 17 1 1 A 17 17 GLY N N 14 109.540 106.395 3.145 1
1 193 . 17 1 1 A 17 17 GLY H H 14 8.423 8.243 0.180 1
1 194 . 17 1 1 A 17 17 GLY CA C 14 44.219 45.676 -1.457 1
1 195 . 17 1 1 A 17 17 GLY HA2 H 14 4.010 4.461 -0.451 1
1 196 . 17 1 1 A 17 17 GLY HA3 H 14 4.159 4.463 -0.304 1
1 198 . 17 1 1 A 18 18 PRO CA C 15 62.843 62.880 -0.037 1
1 199 . 17 1 1 A 18 18 PRO HA H 15 4.412 4.557 -0.145 1
1 200 . 17 1 1 A 18 18 PRO CB C 15 31.667 32.750 -1.083 1
1 208 . 17 1 1 A 18 18 PRO C C 15 176.447 175.868 0.579 1
1 209 . 17 1 1 A 19 19 ASP N N 16 119.197 121.127 -1.930 1
1 210 . 17 1 1 A 19 19 ASP H H 16 8.517 8.336 0.181 1
1 211 . 17 1 1 A 19 19 ASP CA C 16 53.940 53.819 0.121 1
1 212 . 17 1 1 A 19 19 ASP HA H 16 4.559 4.619 -0.060 1
1 213 . 17 1 1 A 19 19 ASP CB C 16 40.180 40.433 -0.253 1
1 216 . 17 1 1 A 19 19 ASP C C 16 175.764 176.633 -0.869 1
1 217 . 17 1 1 A 20 20 ARG N N 17 120.435 116.118 4.317 1
1 218 . 17 1 1 A 20 20 ARG H H 17 8.201 7.922 0.279 1
1 219 . 17 1 1 A 20 20 ARG CA C 17 55.216 56.556 -1.340 1
1 220 . 17 1 1 A 20 20 ARG HA H 17 4.356 4.542 -0.186 1
1 221 . 17 1 1 A 20 20 ARG CB C 17 30.184 32.228 -2.044 1
1 237 . 17 1 1 A 20 20 ARG C C 17 175.724 176.341 -0.617 1
1 238 . 17 1 1 A 21 21 GLU N N 18 122.477 121.152 1.325 1
1 239 . 17 1 1 A 21 21 GLU H H 18 8.371 7.874 0.497 1
1 240 . 17 1 1 A 21 21 GLU CA C 18 53.658 54.743 -1.085 1
1 241 . 17 1 1 A 21 21 GLU HA H 18 4.657 4.347 0.310 1
1 242 . 17 1 1 A 21 21 GLU CB C 18 28.984 30.882 -1.898 1
1 249 . 17 1 1 A 22 22 PRO CA C 19 62.442 62.425 0.017 1
1 250 . 17 1 1 A 22 22 PRO HA H 19 4.516 4.638 -0.122 1
1 251 . 17 1 1 A 22 22 PRO CB C 19 31.903 33.165 -1.262 1
1 259 . 17 1 1 A 22 22 PRO C C 19 176.323 175.389 0.934 1
1 260 . 17 1 1 A 23 23 THR N N 20 112.531 113.092 -0.561 1
1 261 . 17 1 1 A 23 23 THR H H 20 7.946 8.458 -0.512 1
1 262 . 17 1 1 A 23 23 THR CA C 20 60.521 60.734 -0.213 1
1 263 . 17 1 1 A 23 23 THR HA H 20 4.373 4.744 -0.371 1
1 264 . 17 1 1 A 23 23 THR CB C 20 70.238 71.857 -1.619 1
1 270 . 17 1 1 A 23 23 THR C C 20 174.678 174.492 0.186 1
1 271 . 17 1 1 A 24 24 ASN N N 21 120.631 123.811 -3.180 1
1 272 . 17 1 1 A 24 24 ASN H H 21 8.958 9.132 -0.174 1
1 273 . 17 1 1 A 24 24 ASN CA C 21 54.854 57.242 -2.388 1
1 274 . 17 1 1 A 24 24 ASN HA H 21 4.467 4.416 0.051 1
1 275 . 17 1 1 A 24 24 ASN CB C 21 37.535 37.910 -0.375 1
1 281 . 17 1 1 A 24 24 ASN C C 21 176.397 177.476 -1.079 1
1 282 . 17 1 1 A 25 25 GLU N N 22 120.237 119.104 1.133 1
1 283 . 17 1 1 A 25 25 GLU H H 22 8.644 8.209 0.435 1
1 284 . 17 1 1 A 25 25 GLU CA C 22 59.195 58.925 0.270 1
1 285 . 17 1 1 A 25 25 GLU HA H 22 4.076 4.123 -0.047 1
1 286 . 17 1 1 A 25 25 GLU CB C 22 28.567 29.315 -0.748 1
1 292 . 17 1 1 A 25 25 GLU C C 22 177.942 178.684 -0.742 1
1 293 . 17 1 1 A 26 26 LEU N N 23 122.376 121.327 1.049 1
1 294 . 17 1 1 A 26 26 LEU H H 23 8.109 7.970 0.139 1
1 295 . 17 1 1 A 26 26 LEU CA C 23 56.940 58.194 -1.254 1
1 296 . 17 1 1 A 26 26 LEU HA H 23 4.247 3.983 0.264 1
1 297 . 17 1 1 A 26 26 LEU CB C 23 40.425 41.877 -1.452 1
1 310 . 17 1 1 A 26 26 LEU C C 23 178.298 178.337 -0.039 1
1 311 . 17 1 1 A 27 27 ARG N N 24 118.606 118.229 0.377 1
1 312 . 17 1 1 A 27 27 ARG H H 24 8.225 8.268 -0.043 1
1 313 . 17 1 1 A 27 27 ARG CA C 24 59.892 58.949 0.943 1
1 314 . 17 1 1 A 27 27 ARG HA H 24 3.875 4.040 -0.165 1
1 315 . 17 1 1 A 27 27 ARG CB C 24 28.853 29.684 -0.831 1
1 331 . 17 1 1 A 27 27 ARG C C 24 178.374 178.535 -0.161 1
1 332 . 17 1 1 A 28 28 ASN N N 25 117.812 118.538 -0.726 1
1 333 . 17 1 1 A 28 28 ASN H H 25 8.146 8.219 -0.073 1
1 334 . 17 1 1 A 28 28 ASN CA C 25 55.753 56.494 -0.741 1
1 335 . 17 1 1 A 28 28 ASN HA H 25 4.452 4.444 0.008 1
1 336 . 17 1 1 A 28 28 ASN CB C 25 37.388 38.936 -1.548 1
1 342 . 17 1 1 A 28 28 ASN C C 25 177.043 177.784 -0.741 1
1 343 . 17 1 1 A 29 29 GLU N N 26 121.177 118.285 2.892 1
1 344 . 17 1 1 A 29 29 GLU H H 26 8.247 8.425 -0.178 1
1 345 . 17 1 1 A 29 29 GLU CA C 26 58.897 59.241 -0.344 1
1 346 . 17 1 1 A 29 29 GLU HA H 26 4.075 4.060 0.015 1
1 347 . 17 1 1 A 29 29 GLU CB C 26 29.202 29.341 -0.139 1
1 353 . 17 1 1 A 29 29 GLU C C 26 180.215 179.725 0.490 1
1 354 . 17 1 1 A 30 30 VAL N N 27 123.509 121.338 2.171 1
1 355 . 17 1 1 A 30 30 VAL H H 27 8.793 7.965 0.828 1
1 356 . 17 1 1 A 30 30 VAL CA C 27 68.051 66.841 1.210 1
1 357 . 17 1 1 A 30 30 VAL HA H 27 3.413 3.526 -0.113 1
1 358 . 17 1 1 A 30 30 VAL CB C 27 31.196 31.351 -0.155 1
1 368 . 17 1 1 A 30 30 VAL C C 27 176.589 177.906 -1.317 1
1 369 . 17 1 1 A 31 31 GLU N N 28 119.159 118.930 0.229 1
1 370 . 17 1 1 A 31 31 GLU H H 28 8.042 8.223 -0.181 1
1 371 . 17 1 1 A 31 31 GLU CA C 28 59.379 59.512 -0.133 1
1 372 . 17 1 1 A 31 31 GLU HA H 28 3.946 3.972 -0.026 1
1 373 . 17 1 1 A 31 31 GLU CB C 28 28.603 29.331 -0.728 1
1 379 . 17 1 1 A 31 31 GLU C C 28 179.282 179.521 -0.239 1
1 380 . 17 1 1 A 32 32 GLU N N 29 118.871 119.829 -0.958 1
1 381 . 17 1 1 A 32 32 GLU H H 29 8.550 7.973 0.577 1
1 382 . 17 1 1 A 32 32 GLU CA C 29 58.770 59.112 -0.342 1
1 383 . 17 1 1 A 32 32 GLU HA H 29 4.056 4.113 -0.057 1
1 384 . 17 1 1 A 32 32 GLU CB C 29 29.214 29.583 -0.369 1
1 390 . 17 1 1 A 32 32 GLU C C 29 178.791 178.658 0.133 1
1 391 . 17 1 1 A 33 33 THR N N 30 117.719 114.112 3.607 1
1 392 . 17 1 1 A 33 33 THR H H 30 8.205 8.042 0.163 1
1 393 . 17 1 1 A 33 33 THR CA C 30 67.465 65.574 1.891 1
1 394 . 17 1 1 A 33 33 THR HA H 30 3.816 4.017 -0.201 1
1 395 . 17 1 1 A 33 33 THR CB C 30 66.888 68.457 -1.569 1
1 401 . 17 1 1 A 33 33 THR C C 30 175.681 176.608 -0.927 1
1 402 . 17 1 1 A 34 34 ILE N N 31 123.925 121.557 2.368 1
1 403 . 17 1 1 A 34 34 ILE H H 31 8.698 7.886 0.812 1
1 404 . 17 1 1 A 34 34 ILE CA C 31 66.438 63.849 2.589 1
1 405 . 17 1 1 A 34 34 ILE HA H 31 3.442 3.837 -0.395 1
1 406 . 17 1 1 A 34 34 ILE CB C 31 37.311 36.683 0.628 1
1 416 . 17 1 1 A 34 34 ILE C C 31 176.731 178.135 -1.404 1
1 417 . 17 1 1 A 35 35 THR N N 32 116.478 118.151 -1.673 1
1 418 . 17 1 1 A 35 35 THR H H 32 7.956 8.125 -0.169 1
1 419 . 17 1 1 A 35 35 THR CA C 32 66.447 67.255 -0.808 1
1 420 . 17 1 1 A 35 35 THR HA H 32 3.929 3.984 -0.055 1
1 421 . 17 1 1 A 35 35 THR CB C 32 67.964 67.824 0.140 1
1 427 . 17 1 1 A 35 35 THR C C 32 176.226 176.859 -0.633 1
1 428 . 17 1 1 A 36 36 LEU N N 33 119.834 120.426 -0.592 1
1 429 . 17 1 1 A 36 36 LEU H H 33 7.663 8.119 -0.456 1
1 430 . 17 1 1 A 36 36 LEU CA C 33 57.274 57.844 -0.570 1
1 431 . 17 1 1 A 36 36 LEU HA H 33 4.075 4.043 0.032 1
1 432 . 17 1 1 A 36 36 LEU CB C 33 42.188 41.144 1.044 1
1 445 . 17 1 1 A 36 36 LEU C C 33 179.412 179.785 -0.373 1
1 446 . 17 1 1 A 37 37 MET N N 34 119.993 117.950 2.043 1
1 447 . 17 1 1 A 37 37 MET H H 34 8.509 8.234 0.275 1
1 448 . 17 1 1 A 37 37 MET CA C 34 57.865 58.044 -0.179 1
1 449 . 17 1 1 A 37 37 MET HA H 34 3.865 4.196 -0.331 1
1 450 . 17 1 1 A 37 37 MET CB C 34 28.735 32.487 -3.752 1
1 460 . 17 1 1 A 37 37 MET C C 34 178.772 178.150 0.622 1
1 461 . 17 1 1 A 38 38 GLU N N 35 120.011 120.663 -0.652 1
1 462 . 17 1 1 A 38 38 GLU H H 35 8.321 8.291 0.030 1
1 463 . 17 1 1 A 38 38 GLU CA C 35 58.442 58.956 -0.514 1
1 464 . 17 1 1 A 38 38 GLU HA H 35 3.928 4.067 -0.139 1
1 465 . 17 1 1 A 38 38 GLU CB C 35 28.943 29.674 -0.731 1
1 471 . 17 1 1 A 38 38 GLU C C 35 176.040 177.867 -1.827 1
1 472 . 17 1 1 A 39 39 LEU N N 36 118.349 117.928 0.421 1
1 473 . 17 1 1 A 39 39 LEU H H 36 7.441 7.197 0.244 1
1 474 . 17 1 1 A 39 39 LEU CA C 36 54.614 54.015 0.599 1
1 475 . 17 1 1 A 39 39 LEU HA H 36 4.393 4.522 -0.129 1
1 476 . 17 1 1 A 39 39 LEU CB C 36 42.210 41.370 0.840 1
1 489 . 17 1 1 A 39 39 LEU C C 36 178.113 176.526 1.587 1
1 490 . 17 1 1 A 40 40 LEU N N 37 118.362 121.911 -3.549 1
1 491 . 17 1 1 A 40 40 LEU H H 37 7.464 7.356 0.108 1
1 492 . 17 1 1 A 40 40 LEU CA C 37 54.659 55.772 -1.113 1
1 493 . 17 1 1 A 40 40 LEU HA H 37 4.400 4.150 0.250 1
1 494 . 17 1 1 A 40 40 LEU CB C 37 40.993 42.615 -1.622 1
1 507 . 17 1 1 A 40 40 LEU C C 37 177.827 176.010 1.817 1
1 508 . 17 1 1 A 41 41 LYS N N 38 120.851 121.300 -0.449 1
1 509 . 17 1 1 A 41 41 LYS H H 38 9.254 8.223 1.031 1
1 510 . 17 1 1 A 41 41 LYS CA C 38 54.727 54.205 0.522 1
1 511 . 17 1 1 A 41 41 LYS HA H 38 4.572 4.738 -0.166 1
1 512 . 17 1 1 A 41 41 LYS CB C 38 33.768 34.926 -1.158 1
1 524 . 17 1 1 A 41 41 LYS C C 38 177.911 177.711 0.200 1
1 525 . 17 1 1 A 42 42 VAL N N 39 122.215 118.417 3.798 1
1 526 . 17 1 1 A 42 42 VAL H H 39 9.039 8.811 0.228 1
1 527 . 17 1 1 A 42 42 VAL CA C 39 67.408 65.387 2.021 1
1 528 . 17 1 1 A 42 42 VAL HA H 39 3.699 3.734 -0.035 1
1 529 . 17 1 1 A 42 42 VAL CB C 39 31.056 31.703 -0.647 1
1 539 . 17 1 1 A 42 42 VAL C C 39 176.560 177.298 -0.738 1
1 540 . 17 1 1 A 43 43 SER N N 40 114.377 117.260 -2.883 1
1 541 . 17 1 1 A 43 43 SER H H 40 8.686 8.113 0.573 1
1 542 . 17 1 1 A 43 43 SER CA C 40 61.144 61.911 -0.767 1
1 543 . 17 1 1 A 43 43 SER HA H 40 3.933 4.023 -0.090 1
1 544 . 17 1 1 A 43 43 SER CB C 40 60.933 62.802 -1.869 1
1 547 . 17 1 1 A 43 43 SER C C 40 175.910 176.957 -1.047 1
1 548 . 17 1 1 A 44 44 GLU N N 41 122.833 121.917 0.916 1
1 549 . 17 1 1 A 44 44 GLU H H 41 6.661 7.733 -1.072 1
1 550 . 17 1 1 A 44 44 GLU CA C 41 57.315 59.368 -2.053 1
1 551 . 17 1 1 A 44 44 GLU HA H 41 4.363 4.053 0.310 1
1 552 . 17 1 1 A 44 44 GLU CB C 41 30.399 29.571 0.828 1
1 558 . 17 1 1 A 44 44 GLU C C 41 178.185 179.242 -1.057 1
1 559 . 17 1 1 A 45 45 LEU N N 42 119.110 120.619 -1.509 1
1 560 . 17 1 1 A 45 45 LEU H H 42 8.393 8.626 -0.233 1
1 561 . 17 1 1 A 45 45 LEU CA C 42 57.359 57.632 -0.273 1
1 562 . 17 1 1 A 45 45 LEU HA H 42 3.918 3.952 -0.034 1
1 563 . 17 1 1 A 45 45 LEU CB C 42 42.476 41.671 0.805 1
1 576 . 17 1 1 A 45 45 LEU C C 42 179.735 179.202 0.533 1
1 577 . 17 1 1 A 46 46 LYS N N 43 118.025 117.136 0.889 1
1 578 . 17 1 1 A 46 46 LYS H H 43 8.596 8.153 0.443 1
1 579 . 17 1 1 A 46 46 LYS CA C 43 60.844 60.355 0.489 1
1 580 . 17 1 1 A 46 46 LYS HA H 43 3.816 3.890 -0.074 1
1 581 . 17 1 1 A 46 46 LYS CB C 43 31.918 32.212 -0.294 1
1 593 . 17 1 1 A 46 46 LYS C C 43 177.672 179.553 -1.881 1
1 594 . 17 1 1 A 47 47 ASP N N 44 119.267 119.563 -0.296 1
1 595 . 17 1 1 A 47 47 ASP H H 44 7.448 8.206 -0.758 1
1 596 . 17 1 1 A 47 47 ASP CA C 44 57.422 57.397 0.025 1
1 597 . 17 1 1 A 47 47 ASP HA H 44 4.555 4.370 0.185 1
1 598 . 17 1 1 A 47 47 ASP CB C 44 39.264 41.138 -1.874 1
1 601 . 17 1 1 A 47 47 ASP C C 44 179.284 178.824 0.460 1
1 602 . 17 1 1 A 48 48 ILE N N 45 120.817 119.182 1.635 1
1 603 . 17 1 1 A 48 48 ILE H H 45 7.871 8.443 -0.572 1
1 604 . 17 1 1 A 48 48 ILE CA C 45 64.604 65.377 -0.773 1
1 605 . 17 1 1 A 48 48 ILE HA H 45 3.653 3.544 0.109 1
1 606 . 17 1 1 A 48 48 ILE CB C 45 36.293 38.265 -1.972 1
1 619 . 17 1 1 A 48 48 ILE C C 45 177.180 177.402 -0.222 1
1 620 . 17 1 1 A 49 49 CYS N N 46 117.775 119.890 -2.115 1
1 621 . 17 1 1 A 49 49 CYS H H 46 8.543 8.442 0.101 1
1 622 . 17 1 1 A 49 49 CYS CA C 46 64.971 63.427 1.544 1
1 623 . 17 1 1 A 49 49 CYS HA H 46 3.852 4.001 -0.149 1
1 624 . 17 1 1 A 49 49 CYS CB C 46 25.872 26.597 -0.725 1
1 627 . 17 1 1 A 49 49 CYS C C 46 176.288 177.164 -0.876 1
1 628 . 17 1 1 A 50 50 ARG N N 47 118.702 122.584 -3.882 1
1 629 . 17 1 1 A 50 50 ARG H H 47 8.626 8.028 0.598 1
1 630 . 17 1 1 A 50 50 ARG CA C 47 58.983 59.183 -0.200 1
1 631 . 17 1 1 A 50 50 ARG HA H 47 4.058 4.106 -0.048 1
1 632 . 17 1 1 A 50 50 ARG CB C 47 29.512 30.252 -0.740 1
1 648 . 17 1 1 A 50 50 ARG C C 47 179.270 177.960 1.310 1
1 649 . 17 1 1 A 51 51 SER N N 48 114.502 114.348 0.154 1
1 650 . 17 1 1 A 51 51 SER H H 48 7.514 8.084 -0.570 1
1 651 . 17 1 1 A 51 51 SER CA C 48 61.745 61.747 -0.002 1
1 652 . 17 1 1 A 51 51 SER HA H 48 4.308 4.182 0.126 1
1 653 . 17 1 1 A 51 51 SER CB C 48 62.780 63.278 -0.498 1
1 656 . 17 1 1 A 51 51 SER C C 48 176.764 177.017 -0.253 1
1 657 . 17 1 1 A 52 52 VAL N N 49 113.832 120.680 -6.848 1
1 658 . 17 1 1 A 52 52 VAL H H 49 7.511 8.070 -0.559 1
1 659 . 17 1 1 A 52 52 VAL CA C 49 60.751 63.240 -2.489 1
1 660 . 17 1 1 A 52 52 VAL HA H 49 3.760 3.913 -0.153 1
1 661 . 17 1 1 A 52 52 VAL CB C 49 30.719 31.672 -0.953 1
1 671 . 17 1 1 A 52 52 VAL C C 49 173.462 175.060 -1.598 1
1 672 . 17 1 1 A 53 53 SER N N 50 112.698 115.056 -2.358 1
1 673 . 17 1 1 A 53 53 SER H H 50 7.653 7.949 -0.296 1
1 674 . 17 1 1 A 53 53 SER CA C 50 59.025 59.724 -0.699 1
1 675 . 17 1 1 A 53 53 SER HA H 50 3.911 4.146 -0.235 1
1 676 . 17 1 1 A 53 53 SER CB C 50 60.895 61.369 -0.474 1
1 679 . 17 1 1 A 53 53 SER C C 50 174.065 173.482 0.583 1
1 680 . 17 1 1 A 54 54 PHE N N 51 120.132 120.279 -0.147 1
1 681 . 17 1 1 A 54 54 PHE H H 51 8.332 7.846 0.486 1
1 682 . 17 1 1 A 54 54 PHE CA C 51 51.743 56.870 -5.127 1
1 683 . 17 1 1 A 54 54 PHE HA H 51 5.171 4.549 0.622 1
1 684 . 17 1 1 A 54 54 PHE CB C 51 37.762 38.644 -0.882 1
1 696 . 17 1 1 A 55 55 PRO CA C 52 62.176 62.614 -0.438 1
1 697 . 17 1 1 A 55 55 PRO HA H 52 4.417 4.675 -0.258 1
1 698 . 17 1 1 A 55 55 PRO CB C 52 31.347 31.627 -0.280 1
1 706 . 17 1 1 A 55 55 PRO C C 52 176.296 177.075 -0.779 1
1 707 . 17 1 1 A 56 56 VAL N N 53 109.933 125.243 -15.310 1
1 708 . 17 1 1 A 56 56 VAL H H 53 7.986 8.923 -0.937 1
1 709 . 17 1 1 A 56 56 VAL CA C 53 59.863 62.237 -2.374 1
1 710 . 17 1 1 A 56 56 VAL HA H 53 4.404 4.449 -0.045 1
1 711 . 17 1 1 A 56 56 VAL CB C 53 31.483 31.916 -0.433 1
1 721 . 17 1 1 A 56 56 VAL C C 53 175.074 176.044 -0.970 1
1 722 . 17 1 1 A 57 57 SER N N 54 114.614 117.080 -2.466 1
1 723 . 17 1 1 A 57 57 SER H H 54 7.304 7.815 -0.511 1
1 724 . 17 1 1 A 57 57 SER CA C 54 57.295 60.542 -3.247 1
1 725 . 17 1 1 A 57 57 SER HA H 54 4.363 4.479 -0.116 1
1 726 . 17 1 1 A 57 57 SER CB C 54 63.351 63.453 -0.102 1
1 729 . 17 1 1 A 57 57 SER C C 54 174.225 175.386 -1.161 1
1 730 . 17 1 1 A 58 58 GLY N N 55 110.300 109.290 1.010 1
1 731 . 17 1 1 A 58 58 GLY H H 55 8.545 7.822 0.723 1
1 732 . 17 1 1 A 58 58 GLY CA C 55 43.806 44.308 -0.502 1
1 733 . 17 1 1 A 58 58 GLY HA2 H 55 4.009 4.036 -0.027 1
1 734 . 17 1 1 A 58 58 GLY HA3 H 55 3.715 4.043 -0.328 1
1 735 . 17 1 1 A 58 58 GLY C C 55 172.483 173.104 -0.621 1
1 736 . 17 1 1 A 59 59 ARG N N 56 116.392 120.180 -3.788 1
1 737 . 17 1 1 A 59 59 ARG H H 56 7.913 8.661 -0.748 1
1 738 . 17 1 1 A 59 59 ARG CA C 56 54.769 53.866 0.903 1
1 739 . 17 1 1 A 59 59 ARG HA H 56 4.371 4.928 -0.557 1
1 740 . 17 1 1 A 59 59 ARG CB C 56 30.447 33.156 -2.709 1
1 752 . 17 1 1 A 59 59 ARG C C 56 176.019 176.409 -0.390 1
1 753 . 17 1 1 A 60 60 LYS N N 57 122.009 117.567 4.442 1
1 754 . 17 1 1 A 60 60 LYS H H 57 8.811 8.886 -0.075 1
1 755 . 17 1 1 A 60 60 LYS CA C 57 61.236 59.084 2.152 1
1 756 . 17 1 1 A 60 60 LYS HA H 57 3.606 4.067 -0.461 1
1 757 . 17 1 1 A 60 60 LYS CB C 57 32.419 31.927 0.492 1
1 769 . 17 1 1 A 60 60 LYS C C 57 176.824 178.639 -1.815 1
1 770 . 17 1 1 A 61 61 ALA N N 58 116.880 121.764 -4.884 1
1 771 . 17 1 1 A 61 61 ALA H H 58 8.794 7.827 0.967 1
1 772 . 17 1 1 A 61 61 ALA CA C 58 54.617 55.089 -0.472 1
1 773 . 17 1 1 A 61 61 ALA HA H 58 4.129 4.071 0.058 1
1 777 . 17 1 1 A 61 61 ALA CB C 58 18.103 18.418 -0.315 1
1 778 . 17 1 1 A 61 61 ALA C C 58 179.574 180.103 -0.529 1
1 779 . 17 1 1 A 62 62 VAL N N 59 117.408 118.457 -1.049 1
1 780 . 17 1 1 A 62 62 VAL H H 59 7.047 7.888 -0.841 1
1 781 . 17 1 1 A 62 62 VAL CA C 59 64.864 66.916 -2.052 1
1 782 . 17 1 1 A 62 62 VAL HA H 59 3.701 3.560 0.141 1
1 783 . 17 1 1 A 62 62 VAL CB C 59 31.301 31.315 -0.014 1
1 793 . 17 1 1 A 62 62 VAL C C 59 178.103 178.481 -0.378 1
1 794 . 17 1 1 A 63 63 LEU N N 60 119.573 119.864 -0.291 1
1 795 . 17 1 1 A 63 63 LEU H H 60 7.585 8.224 -0.639 1
1 796 . 17 1 1 A 63 63 LEU CA C 60 57.571 58.170 -0.599 1
1 797 . 17 1 1 A 63 63 LEU HA H 60 3.923 3.984 -0.061 1
1 798 . 17 1 1 A 63 63 LEU CB C 60 41.711 41.711 0.000 1
1 810 . 17 1 1 A 63 63 LEU C C 60 178.692 179.005 -0.313 1
1 811 . 17 1 1 A 64 64 GLN N N 61 114.206 117.368 -3.162 1
1 812 . 17 1 1 A 64 64 GLN H H 61 8.373 8.545 -0.172 1
1 813 . 17 1 1 A 64 64 GLN CA C 61 58.039 58.480 -0.441 1
1 814 . 17 1 1 A 64 64 GLN HA H 61 4.090 4.057 0.033 1
1 815 . 17 1 1 A 64 64 GLN CB C 61 28.670 28.370 0.300 1
1 821 . 17 1 1 A 64 64 GLN C C 61 178.207 177.386 0.821 1
1 822 . 17 1 1 A 65 65 ASP N N 62 118.671 120.221 -1.550 1
1 823 . 17 1 1 A 65 65 ASP H H 62 7.973 7.817 0.156 1
1 824 . 17 1 1 A 65 65 ASP CA C 62 56.961 57.420 -0.459 1
1 825 . 17 1 1 A 65 65 ASP HA H 62 4.353 4.478 -0.125 1
1 826 . 17 1 1 A 65 65 ASP CB C 62 39.856 40.885 -1.029 1
1 829 . 17 1 1 A 65 65 ASP C C 62 178.113 178.944 -0.831 1
1 830 . 17 1 1 A 66 66 LEU N N 63 119.708 120.831 -1.123 1
1 831 . 17 1 1 A 66 66 LEU H H 63 7.970 8.190 -0.220 1
1 832 . 17 1 1 A 66 66 LEU CA C 63 57.549 58.110 -0.561 1
1 833 . 17 1 1 A 66 66 LEU HA H 63 3.838 4.007 -0.169 1
1 834 . 17 1 1 A 66 66 LEU CB C 63 41.235 42.214 -0.979 1
1 847 . 17 1 1 A 66 66 LEU C C 63 180.041 179.201 0.840 1
1 848 . 17 1 1 A 67 67 ILE N N 64 118.309 119.652 -1.343 1
1 849 . 17 1 1 A 67 67 ILE H H 64 7.555 8.162 -0.607 1
1 850 . 17 1 1 A 67 67 ILE CA C 64 63.895 65.453 -1.558 1
1 851 . 17 1 1 A 67 67 ILE HA H 64 3.794 3.738 0.056 1
1 852 . 17 1 1 A 67 67 ILE CB C 64 37.181 37.603 -0.422 1
1 865 . 17 1 1 A 67 67 ILE C C 64 176.949 178.073 -1.124 1
1 866 . 17 1 1 A 68 68 ARG N N 65 122.359 120.555 1.804 1
1 867 . 17 1 1 A 68 68 ARG H H 65 9.489 8.334 1.155 1
1 868 . 17 1 1 A 68 68 ARG CA C 65 60.488 60.005 0.483 1
1 869 . 17 1 1 A 68 68 ARG HA H 65 3.692 3.938 -0.246 1
1 870 . 17 1 1 A 68 68 ARG CB C 65 29.897 30.131 -0.234 1
1 880 . 17 1 1 A 68 68 ARG C C 65 177.728 179.116 -1.388 1
1 881 . 17 1 1 A 69 69 ASN N N 66 116.248 116.591 -0.343 1
1 882 . 17 1 1 A 69 69 ASN H H 66 8.546 8.534 0.012 1
1 883 . 17 1 1 A 69 69 ASN CA C 66 55.945 56.207 -0.262 1
1 884 . 17 1 1 A 69 69 ASN HA H 66 4.391 4.443 -0.052 1
1 885 . 17 1 1 A 69 69 ASN CB C 66 37.828 38.157 -0.329 1
1 891 . 17 1 1 A 69 69 ASN C C 66 176.520 178.209 -1.689 1
1 892 . 17 1 1 A 70 70 PHE N N 67 121.134 119.739 1.395 1
1 893 . 17 1 1 A 70 70 PHE H H 67 7.693 8.176 -0.483 1
1 894 . 17 1 1 A 70 70 PHE CA C 67 60.170 60.470 -0.300 1
1 895 . 17 1 1 A 70 70 PHE HA H 67 4.535 4.317 0.218 1
1 896 . 17 1 1 A 70 70 PHE CB C 67 39.838 39.002 0.836 1
1 902 . 17 1 1 A 70 70 PHE C C 67 177.756 178.234 -0.478 1
1 903 . 17 1 1 A 71 71 LEU N N 68 117.959 119.506 -1.547 1
1 904 . 17 1 1 A 71 71 LEU H H 68 8.336 8.637 -0.301 1
1 905 . 17 1 1 A 71 71 LEU CA C 68 57.468 57.934 -0.466 1
1 906 . 17 1 1 A 71 71 LEU HA H 68 3.828 3.997 -0.169 1
1 907 . 17 1 1 A 71 71 LEU CB C 68 42.156 41.266 0.890 1
1 919 . 17 1 1 A 71 71 LEU C C 68 178.037 179.206 -1.169 1
1 920 . 17 1 1 A 72 72 GLN N N 69 117.479 117.639 -0.160 1
1 921 . 17 1 1 A 72 72 GLN H H 69 8.802 8.284 0.518 1
1 922 . 17 1 1 A 72 72 GLN CA C 69 58.632 59.150 -0.518 1
1 923 . 17 1 1 A 72 72 GLN HA H 69 3.906 4.086 -0.180 1
1 924 . 17 1 1 A 72 72 GLN CB C 69 27.010 28.110 -1.100 1
1 933 . 17 1 1 A 72 72 GLN C C 69 179.337 177.826 1.511 1
1 934 . 17 1 1 A 73 73 ASN N N 70 117.551 117.101 0.450 1
1 935 . 17 1 1 A 73 73 ASN H H 70 8.124 8.322 -0.198 1
1 936 . 17 1 1 A 73 73 ASN CA C 70 54.051 55.131 -1.080 1
1 937 . 17 1 1 A 73 73 ASN HA H 70 4.602 4.524 0.078 1
1 938 . 17 1 1 A 73 73 ASN CB C 70 37.810 38.361 -0.551 1
1 944 . 17 1 1 A 73 73 ASN C C 70 175.490 177.874 -2.384 1
1 945 . 17 1 1 A 74 74 ALA N N 71 120.962 120.858 0.104 1
1 946 . 17 1 1 A 74 74 ALA H H 71 7.787 7.769 0.018 1
1 947 . 17 1 1 A 74 74 ALA CA C 71 53.143 54.175 -1.032 1
1 948 . 17 1 1 A 74 74 ALA HA H 71 4.193 4.185 0.008 1
1 952 . 17 1 1 A 74 74 ALA CB C 71 19.064 18.578 0.486 1
1 953 . 17 1 1 A 74 74 ALA C C 71 176.255 177.924 -1.669 1
1 954 . 17 1 1 A 75 75 LEU N N 72 112.822 111.198 1.624 1
1 955 . 17 1 1 A 75 75 LEU H H 72 7.381 7.562 -0.181 1
1 956 . 17 1 1 A 75 75 LEU CA C 72 52.987 53.554 -0.567 1
1 957 . 17 1 1 A 75 75 LEU HA H 72 4.305 4.621 -0.316 1
1 958 . 17 1 1 A 75 75 LEU CB C 72 41.490 41.818 -0.328 1
1 971 . 17 1 1 A 75 75 LEU C C 72 175.867 175.920 -0.053 1
1 972 . 17 1 1 A 76 76 VAL N N 73 120.671 121.948 -1.277 1
1 973 . 17 1 1 A 76 76 VAL H H 73 6.797 7.936 -1.139 1
1 974 . 17 1 1 A 76 76 VAL CA C 73 62.994 60.361 2.633 1
1 975 . 17 1 1 A 76 76 VAL HA H 73 3.707 4.630 -0.923 1
1 976 . 17 1 1 A 76 76 VAL CB C 73 32.014 34.114 -2.100 1
1 986 . 17 1 1 A 76 76 VAL C C 73 176.144 175.935 0.209 1
1 987 . 17 1 1 A 77 77 VAL N N 74 128.303 126.508 1.795 1
1 988 . 17 1 1 A 77 77 VAL H H 74 8.407 8.599 -0.192 1
1 989 . 17 1 1 A 77 77 VAL CA C 74 64.673 65.185 -0.512 1
1 990 . 17 1 1 A 77 77 VAL HA H 74 3.651 3.588 0.063 1
1 991 . 17 1 1 A 77 77 VAL CB C 74 30.789 31.259 -0.470 1
1 1001 . 17 1 1 A 77 77 VAL C C 74 176.911 177.162 -0.251 1
1 1002 . 17 1 1 A 78 78 GLY N N 75 116.087 115.540 0.547 1
1 1003 . 17 1 1 A 78 78 GLY H H 75 8.827 8.710 0.117 1
1 1004 . 17 1 1 A 78 78 GLY CA C 75 45.004 45.541 -0.537 1
1 1005 . 17 1 1 A 78 78 GLY HA2 H 75 4.236 4.015 0.221 1
1 1006 . 17 1 1 A 78 78 GLY HA3 H 75 3.738 4.015 -0.277 1
1 1007 . 17 1 1 A 78 78 GLY C C 75 173.779 173.693 0.086 1
1 1008 . 17 1 1 A 79 79 LYS N N 76 121.612 119.931 1.681 1
1 1009 . 17 1 1 A 79 79 LYS H H 76 8.140 7.510 0.630 1
1 1010 . 17 1 1 A 79 79 LYS CA C 76 54.078 57.674 -3.596 1
1 1011 . 17 1 1 A 79 79 LYS HA H 76 4.588 4.661 -0.073 1
1 1012 . 17 1 1 A 79 79 LYS CB C 76 32.708 34.668 -1.960 1
1 1024 . 17 1 1 A 79 79 LYS C C 76 175.177 176.078 -0.901 1
1 1025 . 17 1 1 A 80 80 SER N N 77 117.166 113.818 3.348 1
1 1026 . 17 1 1 A 80 80 SER H H 77 8.241 8.073 0.168 1
1 1027 . 17 1 1 A 80 80 SER CA C 77 59.173 60.374 -1.201 1
1 1028 . 17 1 1 A 80 80 SER HA H 77 4.356 4.522 -0.166 1
1 1029 . 17 1 1 A 80 80 SER CB C 77 63.288 62.476 0.812 1
1 1032 . 17 1 1 A 80 80 SER C C 77 174.793 172.493 2.300 1
1 1033 . 17 1 1 A 81 81 ASP N N 78 118.775 123.053 -4.278 1
1 1034 . 17 1 1 A 81 81 ASP H H 78 8.506 8.818 -0.312 1
1 1035 . 17 1 1 A 81 81 ASP CA C 78 50.069 51.308 -1.239 1
1 1036 . 17 1 1 A 81 81 ASP HA H 78 5.423 4.955 0.468 1
1 1037 . 17 1 1 A 81 81 ASP CB C 78 41.498 41.595 -0.097 1
1 1041 . 17 1 1 A 82 82 PRO CA C 79 63.656 64.315 -0.659 1
1 1042 . 17 1 1 A 82 82 PRO HA H 79 4.271 4.327 -0.056 1
1 1043 . 17 1 1 A 82 82 PRO CB C 79 31.303 31.804 -0.501 1
1 1051 . 17 1 1 A 82 82 PRO C C 79 178.645 178.304 0.341 1
1 1052 . 17 1 1 A 83 83 TYR N N 80 117.360 117.453 -0.093 1
1 1053 . 17 1 1 A 83 83 TYR H H 80 7.561 7.344 0.217 1
1 1054 . 17 1 1 A 83 83 TYR CA C 80 59.635 61.680 -2.045 1
1 1055 . 17 1 1 A 83 83 TYR HA H 80 4.163 4.338 -0.175 1
1 1056 . 17 1 1 A 83 83 TYR CB C 80 35.602 38.272 -2.670 1
1 1065 . 17 1 1 A 83 83 TYR C C 80 176.904 178.459 -1.555 1
1 1066 . 17 1 1 A 84 84 ARG N N 81 120.833 119.348 1.485 1
1 1067 . 17 1 1 A 84 84 ARG H H 81 7.898 8.240 -0.342 1
1 1068 . 17 1 1 A 84 84 ARG CA C 81 58.332 59.136 -0.804 1
1 1069 . 17 1 1 A 84 84 ARG HA H 81 4.615 4.101 0.514 1
1 1070 . 17 1 1 A 84 84 ARG CB C 81 28.242 30.275 -2.033 1
1 1071 . 17 1 1 A 84 84 ARG C C 81 176.940 179.056 -2.116 1
1 1072 . 17 1 1 A 85 85 VAL N N 82 117.345 120.157 -2.812 1
1 1073 . 17 1 1 A 85 85 VAL H H 82 6.971 8.201 -1.230 1
1 1074 . 17 1 1 A 85 85 VAL CA C 82 65.663 66.884 -1.221 1
1 1075 . 17 1 1 A 85 85 VAL HA H 82 3.417 3.592 -0.175 1
1 1076 . 17 1 1 A 85 85 VAL CB C 82 31.165 31.658 -0.493 1
1 1085 . 17 1 1 A 85 85 VAL C C 82 176.601 177.899 -1.298 1
1 1086 . 17 1 1 A 86 86 GLN N N 83 117.137 119.996 -2.859 1
1 1087 . 17 1 1 A 86 86 GLN H H 83 7.536 8.468 -0.932 1
1 1088 . 17 1 1 A 86 86 GLN CA C 83 58.230 58.473 -0.243 1
1 1089 . 17 1 1 A 86 86 GLN HA H 83 3.953 4.131 -0.178 1
1 1090 . 17 1 1 A 86 86 GLN CB C 83 28.240 28.602 -0.362 1
1 1099 . 17 1 1 A 86 86 GLN C C 83 178.602 178.075 0.527 1
1 1100 . 17 1 1 A 87 87 ALA N N 84 121.452 122.458 -1.006 1
1 1101 . 17 1 1 A 87 87 ALA H H 84 8.843 7.948 0.895 1
1 1102 . 17 1 1 A 87 87 ALA CA C 84 54.905 55.200 -0.295 1
1 1103 . 17 1 1 A 87 87 ALA HA H 84 4.048 4.154 -0.106 1
1 1107 . 17 1 1 A 87 87 ALA CB C 84 18.088 18.688 -0.600 1
1 1108 . 17 1 1 A 87 87 ALA C C 84 178.498 179.979 -1.481 1
1 1109 . 17 1 1 A 88 88 VAL N N 85 117.570 118.278 -0.708 1
1 1110 . 17 1 1 A 88 88 VAL H H 85 8.515 8.545 -0.030 1
1 1111 . 17 1 1 A 88 88 VAL CA C 85 67.315 66.560 0.755 1
1 1112 . 17 1 1 A 88 88 VAL HA H 85 3.764 3.464 0.300 1
1 1113 . 17 1 1 A 88 88 VAL CB C 85 30.610 31.664 -1.054 1
1 1123 . 17 1 1 A 88 88 VAL C C 85 177.138 177.798 -0.660 1
1 1124 . 17 1 1 A 89 89 LYS N N 86 120.005 120.647 -0.642 1
1 1125 . 17 1 1 A 89 89 LYS H H 86 8.612 8.331 0.281 1
1 1126 . 17 1 1 A 89 89 LYS CA C 86 60.851 59.511 1.340 1
1 1127 . 17 1 1 A 89 89 LYS HA H 86 3.827 3.992 -0.165 1
1 1128 . 17 1 1 A 89 89 LYS CB C 86 31.974 32.177 -0.203 1
1 1140 . 17 1 1 A 89 89 LYS C C 86 178.096 178.753 -0.657 1
1 1141 . 17 1 1 A 90 90 PHE N N 87 119.839 120.511 -0.672 1
1 1142 . 17 1 1 A 90 90 PHE H H 87 8.184 8.238 -0.054 1
1 1143 . 17 1 1 A 90 90 PHE CA C 87 60.604 61.322 -0.718 1
1 1144 . 17 1 1 A 90 90 PHE HA H 87 4.302 4.135 0.167 1
1 1145 . 17 1 1 A 90 90 PHE CB C 87 38.349 39.373 -1.024 1
1 1154 . 17 1 1 A 90 90 PHE C C 87 177.748 177.533 0.215 1
1 1155 . 17 1 1 A 91 91 LEU N N 88 118.977 119.723 -0.746 1
1 1156 . 17 1 1 A 91 91 LEU H H 88 8.604 8.422 0.182 1
1 1157 . 17 1 1 A 91 91 LEU CA C 88 58.058 58.495 -0.437 1
1 1158 . 17 1 1 A 91 91 LEU HA H 88 3.975 3.853 0.122 1
1 1159 . 17 1 1 A 91 91 LEU CB C 88 41.114 42.064 -0.950 1
1 1169 . 17 1 1 A 91 91 LEU C C 88 178.106 179.260 -1.154 1
1 1170 . 17 1 1 A 92 92 ILE N N 89 118.378 118.579 -0.201 1
1 1171 . 17 1 1 A 92 92 ILE H H 89 8.420 8.250 0.170 1
1 1172 . 17 1 1 A 92 92 ILE CA C 89 65.761 65.708 0.053 1
1 1173 . 17 1 1 A 92 92 ILE HA H 89 3.542 3.458 0.084 1
1 1174 . 17 1 1 A 92 92 ILE CB C 89 37.372 38.048 -0.676 1
1 1184 . 17 1 1 A 92 92 ILE C C 89 176.952 178.091 -1.139 1
1 1185 . 17 1 1 A 93 93 GLU N N 90 120.262 119.717 0.545 1
1 1186 . 17 1 1 A 93 93 GLU H H 90 8.133 8.312 -0.179 1
1 1187 . 17 1 1 A 93 93 GLU CA C 90 58.766 59.989 -1.223 1
1 1188 . 17 1 1 A 93 93 GLU HA H 90 4.038 3.798 0.240 1
1 1189 . 17 1 1 A 93 93 GLU CB C 90 28.466 29.228 -0.762 1
1 1195 . 17 1 1 A 93 93 GLU C C 90 178.689 179.222 -0.533 1
1 1196 . 17 1 1 A 94 94 ARG N N 91 117.630 119.435 -1.805 1
1 1197 . 17 1 1 A 94 94 ARG H H 91 7.952 8.241 -0.289 1
1 1198 . 17 1 1 A 94 94 ARG CA C 91 58.343 59.017 -0.674 1
1 1199 . 17 1 1 A 94 94 ARG HA H 91 3.941 3.984 -0.043 1
1 1200 . 17 1 1 A 94 94 ARG CB C 91 29.048 29.880 -0.832 1
1 1215 . 17 1 1 A 94 94 ARG C C 91 178.875 178.862 0.013 1
1 1216 . 17 1 1 A 95 95 ILE N N 92 120.056 120.010 0.046 1
1 1217 . 17 1 1 A 95 95 ILE H H 92 8.225 8.066 0.159 1
1 1218 . 17 1 1 A 95 95 ILE CA C 92 63.296 65.321 -2.025 1
1 1219 . 17 1 1 A 95 95 ILE HA H 92 3.972 3.817 0.155 1
1 1220 . 17 1 1 A 95 95 ILE CB C 92 36.921 36.711 0.210 1
1 1233 . 17 1 1 A 95 95 ILE C C 92 180.242 178.970 1.272 1
1 1234 . 17 1 1 A 96 96 ARG N N 93 121.023 120.222 0.801 1
1 1235 . 17 1 1 A 96 96 ARG H H 93 8.259 8.286 -0.027 1
1 1236 . 17 1 1 A 96 96 ARG CA C 93 58.401 58.707 -0.306 1
1 1237 . 17 1 1 A 96 96 ARG HA H 93 4.068 4.201 -0.133 1
1 1238 . 17 1 1 A 96 96 ARG CB C 93 29.474 30.316 -0.842 1
1 1254 . 17 1 1 A 96 96 ARG C C 93 177.500 177.072 0.428 1
1 1255 . 17 1 1 A 97 97 LYS N N 94 116.750 117.547 -0.797 1
1 1256 . 17 1 1 A 97 97 LYS H H 94 7.527 7.601 -0.074 1
1 1257 . 17 1 1 A 97 97 LYS CA C 94 55.282 55.655 -0.373 1
1 1258 . 17 1 1 A 97 97 LYS HA H 94 4.274 4.374 -0.100 1
1 1259 . 17 1 1 A 97 97 LYS CB C 94 32.112 33.912 -1.800 1
1 1271 . 17 1 1 A 97 97 LYS C C 94 174.901 175.777 -0.876 1
1 1272 . 17 1 1 A 98 98 ASN N N 95 116.979 116.440 0.539 1
1 1273 . 17 1 1 A 98 98 ASN H H 95 8.150 8.108 0.042 1
1 1274 . 17 1 1 A 98 98 ASN CA C 95 53.822 54.417 -0.595 1
1 1275 . 17 1 1 A 98 98 ASN HA H 95 4.370 4.254 0.116 1
1 1276 . 17 1 1 A 98 98 ASN CB C 95 36.674 37.274 -0.600 1
1 1282 . 17 1 1 A 98 98 ASN C C 95 173.779 174.148 -0.369 1
1 1283 . 17 1 1 A 99 99 GLU N N 96 118.529 118.642 -0.113 1
1 1284 . 17 1 1 A 99 99 GLU H H 96 8.236 7.941 0.295 1
1 1285 . 17 1 1 A 99 99 GLU CA C 96 52.891 53.981 -1.090 1
1 1286 . 17 1 1 A 99 99 GLU HA H 96 4.673 4.715 -0.042 1
1 1287 . 17 1 1 A 99 99 GLU CB C 96 30.358 29.523 0.835 1
1 1292 . 17 1 1 A 100 100 PRO CA C 97 62.037 62.794 -0.757 1
1 1293 . 17 1 1 A 100 100 PRO HA H 97 4.272 4.686 -0.414 1
1 1294 . 17 1 1 A 100 100 PRO CB C 97 31.609 31.646 -0.037 1
1 1302 . 17 1 1 A 100 100 PRO C C 97 176.184 176.923 -0.739 1
1 1303 . 17 1 1 A 101 101 LEU N N 98 122.794 124.337 -1.543 1
1 1304 . 17 1 1 A 101 101 LEU H H 98 8.832 8.338 0.494 1
1 1305 . 17 1 1 A 101 101 LEU CA C 98 52.524 53.401 -0.877 1
1 1306 . 17 1 1 A 101 101 LEU HA H 98 4.654 4.517 0.137 1
1 1307 . 17 1 1 A 101 101 LEU CB C 98 40.422 42.148 -1.726 1
1 1321 . 17 1 1 A 102 102 PRO CA C 99 61.075 62.206 -1.131 1
1 1322 . 17 1 1 A 102 102 PRO HA H 99 4.629 4.610 0.019 1
1 1323 . 17 1 1 A 102 102 PRO CB C 99 31.778 32.916 -1.138 1
1 1328 . 17 1 1 A 102 102 PRO C C 99 174.604 176.359 -1.755 1
1 1329 . 17 1 1 A 103 103 VAL N N 100 120.834 120.945 -0.111 1
1 1330 . 17 1 1 A 103 103 VAL H H 100 8.661 8.539 0.122 1
1 1331 . 17 1 1 A 103 103 VAL CA C 100 62.977 62.871 0.106 1
1 1332 . 17 1 1 A 103 103 VAL HA H 100 3.860 4.122 -0.262 1
1 1333 . 17 1 1 A 103 103 VAL CB C 100 31.731 31.922 -0.191 1
1 1342 . 17 1 1 A 103 103 VAL C C 100 177.396 176.205 1.191 1
1 1343 . 17 1 1 A 104 104 TYR N N 101 129.973 126.757 3.216 1
1 1344 . 17 1 1 A 104 104 TYR H H 101 8.487 9.206 -0.719 1
1 1345 . 17 1 1 A 104 104 TYR CA C 101 62.855 62.002 0.853 1
1 1346 . 17 1 1 A 104 104 TYR HA H 101 3.802 4.077 -0.275 1
1 1347 . 17 1 1 A 104 104 TYR CB C 101 38.429 38.938 -0.509 1
1 1356 . 17 1 1 A 104 104 TYR C C 101 175.877 177.567 -1.690 1
1 1357 . 17 1 1 A 105 105 LYS N N 102 117.165 119.099 -1.934 1
1 1358 . 17 1 1 A 105 105 LYS H H 102 8.848 8.265 0.583 1
1 1359 . 17 1 1 A 105 105 LYS CA C 102 59.343 59.901 -0.558 1
1 1360 . 17 1 1 A 105 105 LYS HA H 102 3.810 3.722 0.088 1
1 1361 . 17 1 1 A 105 105 LYS CB C 102 31.739 32.162 -0.423 1
1 1373 . 17 1 1 A 105 105 LYS C C 102 177.370 178.315 -0.945 1
1 1374 . 17 1 1 A 106 106 ASP N N 103 117.011 119.970 -2.959 1
1 1375 . 17 1 1 A 106 106 ASP H H 103 6.781 8.132 -1.351 1
1 1376 . 17 1 1 A 106 106 ASP CA C 103 56.155 57.753 -1.598 1
1 1377 . 17 1 1 A 106 106 ASP HA H 103 4.454 4.359 0.095 1
1 1378 . 17 1 1 A 106 106 ASP CB C 103 39.467 41.430 -1.963 1
1 1381 . 17 1 1 A 106 106 ASP C C 103 178.180 178.172 0.008 1
1 1382 . 17 1 1 A 107 107 LEU N N 104 124.145 119.832 4.313 1
1 1383 . 17 1 1 A 107 107 LEU H H 104 7.687 8.259 -0.572 1
1 1384 . 17 1 1 A 107 107 LEU CA C 104 56.938 57.916 -0.978 1
1 1385 . 17 1 1 A 107 107 LEU HA H 104 4.000 3.909 0.091 1
1 1386 . 17 1 1 A 107 107 LEU CB C 104 41.707 41.668 0.039 1
1 1399 . 17 1 1 A 107 107 LEU C C 104 176.403 178.637 -2.234 1
1 1400 . 17 1 1 A 108 108 TRP N N 105 120.039 120.399 -0.360 1
1 1401 . 17 1 1 A 108 108 TRP H H 105 9.072 8.246 0.826 1
1 1402 . 17 1 1 A 108 108 TRP CA C 105 62.392 60.375 2.017 1
1 1403 . 17 1 1 A 108 108 TRP HA H 105 3.547 3.879 -0.332 1
1 1404 . 17 1 1 A 108 108 TRP CB C 105 28.316 29.052 -0.736 1
1 1415 . 17 1 1 A 108 108 TRP C C 105 176.983 178.090 -1.107 1
1 1416 . 17 1 1 A 109 109 ASN N N 106 113.557 116.514 -2.957 1
1 1417 . 17 1 1 A 109 109 ASN H H 106 8.058 8.428 -0.370 1
1 1418 . 17 1 1 A 109 109 ASN CA C 106 55.662 56.027 -0.365 1
1 1419 . 17 1 1 A 109 109 ASN HA H 106 3.994 3.839 0.155 1
1 1420 . 17 1 1 A 109 109 ASN CB C 106 37.973 37.606 0.367 1
1 1426 . 17 1 1 A 109 109 ASN C C 106 176.928 177.372 -0.444 1
1 1427 . 17 1 1 A 110 110 ALA N N 107 121.997 122.415 -0.418 1
1 1428 . 17 1 1 A 110 110 ALA H H 107 7.718 7.774 -0.056 1
1 1429 . 17 1 1 A 110 110 ALA CA C 107 54.261 55.009 -0.748 1
1 1430 . 17 1 1 A 110 110 ALA HA H 107 3.979 4.021 -0.042 1
1 1434 . 17 1 1 A 110 110 ALA CB C 107 17.322 18.376 -1.054 1
1 1435 . 17 1 1 A 110 110 ALA C C 107 180.452 180.021 0.431 1
1 1436 . 17 1 1 A 111 111 LEU N N 108 119.150 117.758 1.392 1
1 1437 . 17 1 1 A 111 111 LEU H H 108 8.200 8.093 0.107 1
1 1438 . 17 1 1 A 111 111 LEU CA C 108 56.264 57.425 -1.161 1
1 1439 . 17 1 1 A 111 111 LEU HA H 108 3.857 3.937 -0.080 1
1 1440 . 17 1 1 A 111 111 LEU CB C 108 41.134 40.980 0.154 1
1 1453 . 17 1 1 A 111 111 LEU C C 108 178.144 179.166 -1.022 1
1 1454 . 17 1 1 A 112 112 ARG N N 109 117.178 120.130 -2.952 1
1 1455 . 17 1 1 A 112 112 ARG H H 109 7.365 7.863 -0.498 1
1 1456 . 17 1 1 A 112 112 ARG CA C 109 56.443 59.616 -3.173 1
1 1457 . 17 1 1 A 112 112 ARG HA H 109 2.642 3.801 -1.159 1
1 1458 . 17 1 1 A 112 112 ARG CB C 109 28.901 29.383 -0.482 1
1 1469 . 17 1 1 A 112 112 ARG C C 109 176.348 178.678 -2.330 1
1 1470 . 17 1 1 A 113 113 LYS N N 110 118.628 118.219 0.409 1
1 1471 . 17 1 1 A 113 113 LYS H H 110 7.145 7.635 -0.490 1
1 1472 . 17 1 1 A 113 113 LYS CA C 110 56.410 57.980 -1.570 1
1 1473 . 17 1 1 A 113 113 LYS HA H 110 4.018 4.089 -0.071 1
1 1474 . 17 1 1 A 113 113 LYS CB C 110 32.091 32.754 -0.663 1
1 1486 . 17 1 1 A 113 113 LYS C C 110 176.164 177.215 -1.051 1
1 5 . 18 1 1 A 2 2 SER N N -2 115.414 113.920 1.494 1
1 6 . 18 1 1 A 2 2 SER H H -2 8.737 8.109 0.628 1
1 7 . 18 1 1 A 2 2 SER CA C -2 57.710 57.628 0.082 1
1 8 . 18 1 1 A 2 2 SER HA H -2 4.446 4.705 -0.259 1
1 9 . 18 1 1 A 2 2 SER CB C -2 63.365 64.778 -1.413 1
1 12 . 18 1 1 A 2 2 SER C C -2 173.826 174.205 -0.379 1
1 40 . 18 1 1 A 5 5 ILE N N 2 122.114 118.382 3.732 1
1 41 . 18 1 1 A 5 5 ILE H H 2 8.292 8.629 -0.337 1
1 42 . 18 1 1 A 5 5 ILE CA C 2 60.568 60.805 -0.237 1
1 43 . 18 1 1 A 5 5 ILE HA H 2 4.102 4.729 -0.627 1
1 44 . 18 1 1 A 5 5 ILE CB C 2 38.417 38.280 0.137 1
1 57 . 18 1 1 A 5 5 ILE C C 2 174.970 174.417 0.553 1
1 58 . 18 1 1 A 6 6 ASN N N 3 122.794 125.690 -2.896 1
1 59 . 18 1 1 A 6 6 ASN H H 3 8.636 8.722 -0.086 1
1 60 . 18 1 1 A 6 6 ASN CA C 3 52.274 51.528 0.746 1
1 61 . 18 1 1 A 6 6 ASN HA H 3 4.712 5.532 -0.820 1
1 62 . 18 1 1 A 6 6 ASN CB C 3 38.194 40.282 -2.088 1
1 68 . 18 1 1 A 6 6 ASN C C 3 174.766 175.759 -0.993 1
1 69 . 18 1 1 A 7 7 LEU N N 4 123.220 123.307 -0.087 1
1 70 . 18 1 1 A 7 7 LEU H H 4 8.484 8.714 -0.230 1
1 71 . 18 1 1 A 7 7 LEU CA C 4 55.359 58.141 -2.782 1
1 72 . 18 1 1 A 7 7 LEU HA H 4 4.197 4.128 0.069 1
1 73 . 18 1 1 A 7 7 LEU CB C 4 41.461 41.804 -0.343 1
1 86 . 18 1 1 A 7 7 LEU C C 4 177.248 178.653 -1.405 1
1 87 . 18 1 1 A 8 8 GLU N N 5 119.354 121.018 -1.664 1
1 88 . 18 1 1 A 8 8 GLU H H 5 8.455 9.226 -0.771 1
1 89 . 18 1 1 A 8 8 GLU CA C 5 56.589 58.842 -2.253 1
1 90 . 18 1 1 A 8 8 GLU HA H 5 4.091 4.173 -0.082 1
1 91 . 18 1 1 A 8 8 GLU CB C 5 29.275 28.958 0.317 1
1 97 . 18 1 1 A 8 8 GLU C C 5 175.981 176.994 -1.013 1
1 98 . 18 1 1 A 9 9 ASP N N 6 119.780 119.640 0.140 1
1 99 . 18 1 1 A 9 9 ASP H H 6 8.136 8.594 -0.458 1
1 100 . 18 1 1 A 9 9 ASP CA C 6 53.931 53.882 0.049 1
1 101 . 18 1 1 A 9 9 ASP HA H 6 4.492 4.967 -0.475 1
1 102 . 18 1 1 A 9 9 ASP CB C 6 40.360 42.303 -1.943 1
1 105 . 18 1 1 A 9 9 ASP C C 6 175.397 175.495 -0.098 1
1 106 . 18 1 1 A 10 10 TYR N N 7 119.939 120.623 -0.684 1
1 107 . 18 1 1 A 10 10 TYR H H 7 7.902 7.795 0.107 1
1 108 . 18 1 1 A 10 10 TYR CA C 7 57.667 57.911 -0.244 1
1 109 . 18 1 1 A 10 10 TYR HA H 7 4.431 4.849 -0.418 1
1 110 . 18 1 1 A 10 10 TYR CB C 7 38.236 40.159 -1.923 1
1 119 . 18 1 1 A 10 10 TYR C C 7 174.898 176.426 -1.528 1
1 120 . 18 1 1 A 11 11 TRP N N 8 122.648 121.839 0.809 1
1 121 . 18 1 1 A 11 11 TRP H H 8 7.917 7.927 -0.010 1
1 122 . 18 1 1 A 11 11 TRP CA C 8 56.562 59.875 -3.313 1
1 123 . 18 1 1 A 11 11 TRP HA H 8 4.578 4.563 0.015 1
1 124 . 18 1 1 A 11 11 TRP CB C 8 29.293 30.453 -1.160 1
1 139 . 18 1 1 A 11 11 TRP C C 8 175.212 176.139 -0.927 1
1 140 . 18 1 1 A 12 12 GLU N N 9 122.189 118.080 4.109 1
1 141 . 18 1 1 A 12 12 GLU H H 9 8.030 8.177 -0.147 1
1 142 . 18 1 1 A 12 12 GLU CA C 9 55.743 57.270 -1.527 1
1 143 . 18 1 1 A 12 12 GLU HA H 9 4.137 4.261 -0.124 1
1 144 . 18 1 1 A 12 12 GLU CB C 9 30.001 28.613 1.388 1
1 150 . 18 1 1 A 12 12 GLU C C 9 175.138 176.347 -1.209 1
1 151 . 18 1 1 A 13 13 ASP N N 10 121.099 125.375 -4.276 1
1 152 . 18 1 1 A 13 13 ASP H H 10 8.253 8.966 -0.713 1
1 153 . 18 1 1 A 13 13 ASP CA C 10 53.843 53.987 -0.144 1
1 154 . 18 1 1 A 13 13 ASP HA H 10 4.500 5.045 -0.545 1
1 155 . 18 1 1 A 13 13 ASP CB C 10 40.715 42.399 -1.684 1
1 158 . 18 1 1 A 13 13 ASP C C 10 175.700 176.509 -0.809 1
1 159 . 18 1 1 A 14 14 GLU N N 11 121.240 117.374 3.866 1
1 160 . 18 1 1 A 14 14 GLU H H 11 8.435 8.246 0.189 1
1 161 . 18 1 1 A 14 14 GLU CA C 11 55.858 55.458 0.400 1
1 162 . 18 1 1 A 14 14 GLU HA H 11 4.289 4.734 -0.445 1
1 163 . 18 1 1 A 14 14 GLU CB C 11 29.758 28.920 0.838 1
1 169 . 18 1 1 A 14 14 GLU C C 11 176.002 176.347 -0.345 1
1 170 . 18 1 1 A 15 15 THR N N 12 118.367 116.487 1.880 1
1 171 . 18 1 1 A 15 15 THR H H 12 8.407 7.463 0.944 1
1 172 . 18 1 1 A 15 15 THR CA C 12 59.646 60.409 -0.763 1
1 173 . 18 1 1 A 15 15 THR HA H 12 4.503 4.249 0.254 1
1 174 . 18 1 1 A 15 15 THR CB C 12 69.084 69.848 -0.764 1
1 181 . 18 1 1 A 16 16 PRO CA C 13 62.791 62.769 0.022 1
1 182 . 18 1 1 A 16 16 PRO HA H 13 4.408 4.477 -0.069 1
1 183 . 18 1 1 A 16 16 PRO CB C 13 31.771 33.417 -1.646 1
1 191 . 18 1 1 A 16 16 PRO C C 13 176.689 175.880 0.809 1
1 192 . 18 1 1 A 17 17 GLY N N 14 109.540 106.729 2.811 1
1 193 . 18 1 1 A 17 17 GLY H H 14 8.423 8.002 0.421 1
1 194 . 18 1 1 A 17 17 GLY CA C 14 44.219 45.224 -1.005 1
1 195 . 18 1 1 A 17 17 GLY HA2 H 14 4.010 4.149 -0.139 1
1 196 . 18 1 1 A 17 17 GLY HA3 H 14 4.159 4.149 0.010 1
1 198 . 18 1 1 A 18 18 PRO CA C 15 62.843 62.458 0.385 1
1 199 . 18 1 1 A 18 18 PRO HA H 15 4.412 4.549 -0.137 1
1 200 . 18 1 1 A 18 18 PRO CB C 15 31.667 33.268 -1.601 1
1 208 . 18 1 1 A 18 18 PRO C C 15 176.447 175.995 0.452 1
1 209 . 18 1 1 A 19 19 ASP N N 16 119.197 119.724 -0.527 1
1 210 . 18 1 1 A 19 19 ASP H H 16 8.517 8.696 -0.179 1
1 211 . 18 1 1 A 19 19 ASP CA C 16 53.940 54.122 -0.182 1
1 212 . 18 1 1 A 19 19 ASP HA H 16 4.559 4.834 -0.275 1
1 213 . 18 1 1 A 19 19 ASP CB C 16 40.180 41.564 -1.384 1
1 216 . 18 1 1 A 19 19 ASP C C 16 175.764 176.050 -0.286 1
1 217 . 18 1 1 A 20 20 ARG N N 17 120.435 118.281 2.154 1
1 218 . 18 1 1 A 20 20 ARG H H 17 8.201 7.867 0.334 1
1 219 . 18 1 1 A 20 20 ARG CA C 17 55.216 57.208 -1.992 1
1 220 . 18 1 1 A 20 20 ARG HA H 17 4.356 4.452 -0.096 1
1 221 . 18 1 1 A 20 20 ARG CB C 17 30.184 31.787 -1.603 1
1 237 . 18 1 1 A 20 20 ARG C C 17 175.724 175.993 -0.269 1
1 238 . 18 1 1 A 21 21 GLU N N 18 122.477 116.168 6.309 1
1 239 . 18 1 1 A 21 21 GLU H H 18 8.371 7.662 0.709 1
1 240 . 18 1 1 A 21 21 GLU CA C 18 53.658 55.428 -1.770 1
1 241 . 18 1 1 A 21 21 GLU HA H 18 4.657 4.476 0.181 1
1 242 . 18 1 1 A 21 21 GLU CB C 18 28.984 29.951 -0.967 1
1 249 . 18 1 1 A 22 22 PRO CA C 19 62.442 62.434 0.008 1
1 250 . 18 1 1 A 22 22 PRO HA H 19 4.516 4.607 -0.091 1
1 251 . 18 1 1 A 22 22 PRO CB C 19 31.903 33.080 -1.177 1
1 259 . 18 1 1 A 22 22 PRO C C 19 176.323 175.222 1.101 1
1 260 . 18 1 1 A 23 23 THR N N 20 112.531 114.315 -1.784 1
1 261 . 18 1 1 A 23 23 THR H H 20 7.946 8.357 -0.411 1
1 262 . 18 1 1 A 23 23 THR CA C 20 60.521 60.806 -0.285 1
1 263 . 18 1 1 A 23 23 THR HA H 20 4.373 4.773 -0.400 1
1 264 . 18 1 1 A 23 23 THR CB C 20 70.238 72.144 -1.906 1
1 270 . 18 1 1 A 23 23 THR C C 20 174.678 174.756 -0.078 1
1 271 . 18 1 1 A 24 24 ASN N N 21 120.631 124.418 -3.787 1
1 272 . 18 1 1 A 24 24 ASN H H 21 8.958 9.098 -0.140 1
1 273 . 18 1 1 A 24 24 ASN CA C 21 54.854 56.898 -2.044 1
1 274 . 18 1 1 A 24 24 ASN HA H 21 4.467 4.316 0.151 1
1 275 . 18 1 1 A 24 24 ASN CB C 21 37.535 38.743 -1.208 1
1 281 . 18 1 1 A 24 24 ASN C C 21 176.397 176.973 -0.576 1
1 282 . 18 1 1 A 25 25 GLU N N 22 120.237 117.630 2.607 1
1 283 . 18 1 1 A 25 25 GLU H H 22 8.644 8.294 0.350 1
1 284 . 18 1 1 A 25 25 GLU CA C 22 59.195 59.157 0.038 1
1 285 . 18 1 1 A 25 25 GLU HA H 22 4.076 4.093 -0.017 1
1 286 . 18 1 1 A 25 25 GLU CB C 22 28.567 28.581 -0.014 1
1 292 . 18 1 1 A 25 25 GLU C C 22 177.942 178.894 -0.952 1
1 293 . 18 1 1 A 26 26 LEU N N 23 122.376 123.522 -1.146 1
1 294 . 18 1 1 A 26 26 LEU H H 23 8.109 8.022 0.087 1
1 295 . 18 1 1 A 26 26 LEU CA C 23 56.940 58.205 -1.265 1
1 296 . 18 1 1 A 26 26 LEU HA H 23 4.247 3.993 0.254 1
1 297 . 18 1 1 A 26 26 LEU CB C 23 40.425 41.833 -1.408 1
1 310 . 18 1 1 A 26 26 LEU C C 23 178.298 178.350 -0.052 1
1 311 . 18 1 1 A 27 27 ARG N N 24 118.606 118.249 0.357 1
1 312 . 18 1 1 A 27 27 ARG H H 24 8.225 8.243 -0.018 1
1 313 . 18 1 1 A 27 27 ARG CA C 24 59.892 58.723 1.169 1
1 314 . 18 1 1 A 27 27 ARG HA H 24 3.875 4.067 -0.192 1
1 315 . 18 1 1 A 27 27 ARG CB C 24 28.853 29.700 -0.847 1
1 331 . 18 1 1 A 27 27 ARG C C 24 178.374 178.520 -0.146 1
1 332 . 18 1 1 A 28 28 ASN N N 25 117.812 118.667 -0.855 1
1 333 . 18 1 1 A 28 28 ASN H H 25 8.146 8.231 -0.085 1
1 334 . 18 1 1 A 28 28 ASN CA C 25 55.753 56.337 -0.584 1
1 335 . 18 1 1 A 28 28 ASN HA H 25 4.452 4.439 0.013 1
1 336 . 18 1 1 A 28 28 ASN CB C 25 37.388 38.897 -1.509 1
1 342 . 18 1 1 A 28 28 ASN C C 25 177.043 178.022 -0.979 1
1 343 . 18 1 1 A 29 29 GLU N N 26 121.177 117.942 3.235 1
1 344 . 18 1 1 A 29 29 GLU H H 26 8.247 8.580 -0.333 1
1 345 . 18 1 1 A 29 29 GLU CA C 26 58.897 59.170 -0.273 1
1 346 . 18 1 1 A 29 29 GLU HA H 26 4.075 4.085 -0.010 1
1 347 . 18 1 1 A 29 29 GLU CB C 26 29.202 29.509 -0.307 1
1 353 . 18 1 1 A 29 29 GLU C C 26 180.215 179.580 0.635 1
1 354 . 18 1 1 A 30 30 VAL N N 27 123.509 121.607 1.902 1
1 355 . 18 1 1 A 30 30 VAL H H 27 8.793 7.960 0.833 1
1 356 . 18 1 1 A 30 30 VAL CA C 27 68.051 66.610 1.441 1
1 357 . 18 1 1 A 30 30 VAL HA H 27 3.413 3.483 -0.070 1
1 358 . 18 1 1 A 30 30 VAL CB C 27 31.196 31.846 -0.650 1
1 368 . 18 1 1 A 30 30 VAL C C 27 176.589 177.743 -1.154 1
1 369 . 18 1 1 A 31 31 GLU N N 28 119.159 118.577 0.582 1
1 370 . 18 1 1 A 31 31 GLU H H 28 8.042 8.687 -0.645 1
1 371 . 18 1 1 A 31 31 GLU CA C 28 59.379 59.908 -0.529 1
1 372 . 18 1 1 A 31 31 GLU HA H 28 3.946 3.914 0.032 1
1 373 . 18 1 1 A 31 31 GLU CB C 28 28.603 29.285 -0.682 1
1 379 . 18 1 1 A 31 31 GLU C C 28 179.282 179.199 0.083 1
1 380 . 18 1 1 A 32 32 GLU N N 29 118.871 120.481 -1.610 1
1 381 . 18 1 1 A 32 32 GLU H H 29 8.550 8.096 0.454 1
1 382 . 18 1 1 A 32 32 GLU CA C 29 58.770 59.224 -0.454 1
1 383 . 18 1 1 A 32 32 GLU HA H 29 4.056 4.098 -0.042 1
1 384 . 18 1 1 A 32 32 GLU CB C 29 29.214 29.737 -0.523 1
1 390 . 18 1 1 A 32 32 GLU C C 29 178.791 179.234 -0.443 1
1 391 . 18 1 1 A 33 33 THR N N 30 117.719 116.764 0.955 1
1 392 . 18 1 1 A 33 33 THR H H 30 8.205 8.485 -0.280 1
1 393 . 18 1 1 A 33 33 THR CA C 30 67.465 67.154 0.311 1
1 394 . 18 1 1 A 33 33 THR HA H 30 3.816 3.937 -0.121 1
1 395 . 18 1 1 A 33 33 THR CB C 30 66.888 68.344 -1.456 1
1 401 . 18 1 1 A 33 33 THR C C 30 175.681 176.781 -1.100 1
1 402 . 18 1 1 A 34 34 ILE N N 31 123.925 121.330 2.595 1
1 403 . 18 1 1 A 34 34 ILE H H 31 8.698 8.426 0.272 1
1 404 . 18 1 1 A 34 34 ILE CA C 31 66.438 64.600 1.838 1
1 405 . 18 1 1 A 34 34 ILE HA H 31 3.442 3.741 -0.299 1
1 406 . 18 1 1 A 34 34 ILE CB C 31 37.311 37.340 -0.029 1
1 416 . 18 1 1 A 34 34 ILE C C 31 176.731 178.124 -1.393 1
1 417 . 18 1 1 A 35 35 THR N N 32 116.478 118.055 -1.577 1
1 418 . 18 1 1 A 35 35 THR H H 32 7.956 8.090 -0.134 1
1 419 . 18 1 1 A 35 35 THR CA C 32 66.447 67.108 -0.661 1
1 420 . 18 1 1 A 35 35 THR HA H 32 3.929 4.050 -0.121 1
1 421 . 18 1 1 A 35 35 THR CB C 32 67.964 67.902 0.062 1
1 427 . 18 1 1 A 35 35 THR C C 32 176.226 176.574 -0.348 1
1 428 . 18 1 1 A 36 36 LEU N N 33 119.834 120.323 -0.489 1
1 429 . 18 1 1 A 36 36 LEU H H 33 7.663 7.817 -0.154 1
1 430 . 18 1 1 A 36 36 LEU CA C 33 57.274 57.551 -0.277 1
1 431 . 18 1 1 A 36 36 LEU HA H 33 4.075 4.114 -0.039 1
1 432 . 18 1 1 A 36 36 LEU CB C 33 42.188 41.592 0.596 1
1 445 . 18 1 1 A 36 36 LEU C C 33 179.412 179.400 0.012 1
1 446 . 18 1 1 A 37 37 MET N N 34 119.993 117.975 2.018 1
1 447 . 18 1 1 A 37 37 MET H H 34 8.509 8.482 0.027 1
1 448 . 18 1 1 A 37 37 MET CA C 34 57.865 57.843 0.022 1
1 449 . 18 1 1 A 37 37 MET HA H 34 3.865 4.193 -0.328 1
1 450 . 18 1 1 A 37 37 MET CB C 34 28.735 32.354 -3.619 1
1 460 . 18 1 1 A 37 37 MET C C 34 178.772 178.148 0.624 1
1 461 . 18 1 1 A 38 38 GLU N N 35 120.011 120.666 -0.655 1
1 462 . 18 1 1 A 38 38 GLU H H 35 8.321 8.283 0.038 1
1 463 . 18 1 1 A 38 38 GLU CA C 35 58.442 58.951 -0.509 1
1 464 . 18 1 1 A 38 38 GLU HA H 35 3.928 4.059 -0.131 1
1 465 . 18 1 1 A 38 38 GLU CB C 35 28.943 29.743 -0.800 1
1 471 . 18 1 1 A 38 38 GLU C C 35 176.040 177.847 -1.807 1
1 472 . 18 1 1 A 39 39 LEU N N 36 118.349 117.642 0.707 1
1 473 . 18 1 1 A 39 39 LEU H H 36 7.441 7.188 0.253 1
1 474 . 18 1 1 A 39 39 LEU CA C 36 54.614 54.009 0.605 1
1 475 . 18 1 1 A 39 39 LEU HA H 36 4.393 4.489 -0.096 1
1 476 . 18 1 1 A 39 39 LEU CB C 36 42.210 41.250 0.960 1
1 489 . 18 1 1 A 39 39 LEU C C 36 178.113 176.556 1.557 1
1 490 . 18 1 1 A 40 40 LEU N N 37 118.362 121.899 -3.537 1
1 491 . 18 1 1 A 40 40 LEU H H 37 7.464 7.513 -0.049 1
1 492 . 18 1 1 A 40 40 LEU CA C 37 54.659 55.933 -1.274 1
1 493 . 18 1 1 A 40 40 LEU HA H 37 4.400 4.134 0.266 1
1 494 . 18 1 1 A 40 40 LEU CB C 37 40.993 42.659 -1.666 1
1 507 . 18 1 1 A 40 40 LEU C C 37 177.827 176.067 1.760 1
1 508 . 18 1 1 A 41 41 LYS N N 38 120.851 123.838 -2.987 1
1 509 . 18 1 1 A 41 41 LYS H H 38 9.254 8.576 0.678 1
1 510 . 18 1 1 A 41 41 LYS CA C 38 54.727 54.491 0.236 1
1 511 . 18 1 1 A 41 41 LYS HA H 38 4.572 4.744 -0.172 1
1 512 . 18 1 1 A 41 41 LYS CB C 38 33.768 35.363 -1.595 1
1 524 . 18 1 1 A 41 41 LYS C C 38 177.911 177.610 0.301 1
1 525 . 18 1 1 A 42 42 VAL N N 39 122.215 122.285 -0.070 1
1 526 . 18 1 1 A 42 42 VAL H H 39 9.039 8.737 0.302 1
1 527 . 18 1 1 A 42 42 VAL CA C 39 67.408 65.393 2.015 1
1 528 . 18 1 1 A 42 42 VAL HA H 39 3.699 3.704 -0.005 1
1 529 . 18 1 1 A 42 42 VAL CB C 39 31.056 31.611 -0.555 1
1 539 . 18 1 1 A 42 42 VAL C C 39 176.560 178.195 -1.635 1
1 540 . 18 1 1 A 43 43 SER N N 40 114.377 116.319 -1.942 1
1 541 . 18 1 1 A 43 43 SER H H 40 8.686 8.250 0.436 1
1 542 . 18 1 1 A 43 43 SER CA C 40 61.144 61.476 -0.332 1
1 543 . 18 1 1 A 43 43 SER HA H 40 3.933 4.135 -0.202 1
1 544 . 18 1 1 A 43 43 SER CB C 40 60.933 62.665 -1.732 1
1 547 . 18 1 1 A 43 43 SER C C 40 175.910 177.165 -1.255 1
1 548 . 18 1 1 A 44 44 GLU N N 41 122.833 121.838 0.995 1
1 549 . 18 1 1 A 44 44 GLU H H 41 6.661 7.782 -1.121 1
1 550 . 18 1 1 A 44 44 GLU CA C 41 57.315 59.100 -1.785 1
1 551 . 18 1 1 A 44 44 GLU HA H 41 4.363 4.065 0.298 1
1 552 . 18 1 1 A 44 44 GLU CB C 41 30.399 29.604 0.795 1
1 558 . 18 1 1 A 44 44 GLU C C 41 178.185 179.239 -1.054 1
1 559 . 18 1 1 A 45 45 LEU N N 42 119.110 119.839 -0.729 1
1 560 . 18 1 1 A 45 45 LEU H H 42 8.393 8.598 -0.205 1
1 561 . 18 1 1 A 45 45 LEU CA C 42 57.359 57.612 -0.253 1
1 562 . 18 1 1 A 45 45 LEU HA H 42 3.918 3.894 0.024 1
1 563 . 18 1 1 A 45 45 LEU CB C 42 42.476 41.722 0.754 1
1 576 . 18 1 1 A 45 45 LEU C C 42 179.735 179.325 0.410 1
1 577 . 18 1 1 A 46 46 LYS N N 43 118.025 117.352 0.673 1
1 578 . 18 1 1 A 46 46 LYS H H 43 8.596 8.119 0.477 1
1 579 . 18 1 1 A 46 46 LYS CA C 43 60.844 60.388 0.456 1
1 580 . 18 1 1 A 46 46 LYS HA H 43 3.816 3.874 -0.058 1
1 581 . 18 1 1 A 46 46 LYS CB C 43 31.918 32.254 -0.336 1
1 593 . 18 1 1 A 46 46 LYS C C 43 177.672 179.491 -1.819 1
1 594 . 18 1 1 A 47 47 ASP N N 44 119.267 119.638 -0.371 1
1 595 . 18 1 1 A 47 47 ASP H H 44 7.448 8.138 -0.690 1
1 596 . 18 1 1 A 47 47 ASP CA C 44 57.422 57.369 0.053 1
1 597 . 18 1 1 A 47 47 ASP HA H 44 4.555 4.354 0.201 1
1 598 . 18 1 1 A 47 47 ASP CB C 44 39.264 41.040 -1.776 1
1 601 . 18 1 1 A 47 47 ASP C C 44 179.284 178.766 0.518 1
1 602 . 18 1 1 A 48 48 ILE N N 45 120.817 119.285 1.532 1
1 603 . 18 1 1 A 48 48 ILE H H 45 7.871 8.385 -0.514 1
1 604 . 18 1 1 A 48 48 ILE CA C 45 64.604 65.159 -0.555 1
1 605 . 18 1 1 A 48 48 ILE HA H 45 3.653 3.540 0.113 1
1 606 . 18 1 1 A 48 48 ILE CB C 45 36.293 37.751 -1.458 1
1 619 . 18 1 1 A 48 48 ILE C C 45 177.180 177.648 -0.468 1
1 620 . 18 1 1 A 49 49 CYS N N 46 117.775 119.613 -1.838 1
1 621 . 18 1 1 A 49 49 CYS H H 46 8.543 8.256 0.287 1
1 622 . 18 1 1 A 49 49 CYS CA C 46 64.971 63.621 1.350 1
1 623 . 18 1 1 A 49 49 CYS HA H 46 3.852 3.902 -0.050 1
1 624 . 18 1 1 A 49 49 CYS CB C 46 25.872 26.689 -0.817 1
1 627 . 18 1 1 A 49 49 CYS C C 46 176.288 177.324 -1.036 1
1 628 . 18 1 1 A 50 50 ARG N N 47 118.702 120.320 -1.618 1
1 629 . 18 1 1 A 50 50 ARG H H 47 8.626 8.142 0.484 1
1 630 . 18 1 1 A 50 50 ARG CA C 47 58.983 59.708 -0.725 1
1 631 . 18 1 1 A 50 50 ARG HA H 47 4.058 4.109 -0.051 1
1 632 . 18 1 1 A 50 50 ARG CB C 47 29.512 30.260 -0.748 1
1 648 . 18 1 1 A 50 50 ARG C C 47 179.270 178.628 0.642 1
1 649 . 18 1 1 A 51 51 SER N N 48 114.502 115.012 -0.510 1
1 650 . 18 1 1 A 51 51 SER H H 48 7.514 8.337 -0.823 1
1 651 . 18 1 1 A 51 51 SER CA C 48 61.745 61.509 0.236 1
1 652 . 18 1 1 A 51 51 SER HA H 48 4.308 4.263 0.045 1
1 653 . 18 1 1 A 51 51 SER CB C 48 62.780 63.131 -0.351 1
1 656 . 18 1 1 A 51 51 SER C C 48 176.764 176.035 0.729 1
1 657 . 18 1 1 A 52 52 VAL N N 49 113.832 119.008 -5.176 1
1 658 . 18 1 1 A 52 52 VAL H H 49 7.511 7.957 -0.446 1
1 659 . 18 1 1 A 52 52 VAL CA C 49 60.751 62.007 -1.256 1
1 660 . 18 1 1 A 52 52 VAL HA H 49 3.760 3.920 -0.160 1
1 661 . 18 1 1 A 52 52 VAL CB C 49 30.719 31.690 -0.971 1
1 671 . 18 1 1 A 52 52 VAL C C 49 173.462 175.282 -1.820 1
1 672 . 18 1 1 A 53 53 SER N N 50 112.698 115.067 -2.369 1
1 673 . 18 1 1 A 53 53 SER H H 50 7.653 8.077 -0.424 1
1 674 . 18 1 1 A 53 53 SER CA C 50 59.025 59.728 -0.703 1
1 675 . 18 1 1 A 53 53 SER HA H 50 3.911 4.159 -0.248 1
1 676 . 18 1 1 A 53 53 SER CB C 50 60.895 61.283 -0.388 1
1 679 . 18 1 1 A 53 53 SER C C 50 174.065 173.464 0.601 1
1 680 . 18 1 1 A 54 54 PHE N N 51 120.132 120.463 -0.331 1
1 681 . 18 1 1 A 54 54 PHE H H 51 8.332 7.991 0.341 1
1 682 . 18 1 1 A 54 54 PHE CA C 51 51.743 56.770 -5.027 1
1 683 . 18 1 1 A 54 54 PHE HA H 51 5.171 4.482 0.689 1
1 684 . 18 1 1 A 54 54 PHE CB C 51 37.762 38.703 -0.941 1
1 696 . 18 1 1 A 55 55 PRO CA C 52 62.176 62.636 -0.460 1
1 697 . 18 1 1 A 55 55 PRO HA H 52 4.417 4.666 -0.249 1
1 698 . 18 1 1 A 55 55 PRO CB C 52 31.347 31.621 -0.274 1
1 706 . 18 1 1 A 55 55 PRO C C 52 176.296 177.061 -0.765 1
1 707 . 18 1 1 A 56 56 VAL N N 53 109.933 125.206 -15.273 1
1 708 . 18 1 1 A 56 56 VAL H H 53 7.986 8.875 -0.889 1
1 709 . 18 1 1 A 56 56 VAL CA C 53 59.863 62.229 -2.366 1
1 710 . 18 1 1 A 56 56 VAL HA H 53 4.404 4.379 0.025 1
1 711 . 18 1 1 A 56 56 VAL CB C 53 31.483 31.893 -0.410 1
1 721 . 18 1 1 A 56 56 VAL C C 53 175.074 176.063 -0.989 1
1 722 . 18 1 1 A 57 57 SER N N 54 114.614 117.447 -2.833 1
1 723 . 18 1 1 A 57 57 SER H H 54 7.304 7.783 -0.479 1
1 724 . 18 1 1 A 57 57 SER CA C 54 57.295 60.038 -2.743 1
1 725 . 18 1 1 A 57 57 SER HA H 54 4.363 4.375 -0.012 1
1 726 . 18 1 1 A 57 57 SER CB C 54 63.351 63.212 0.139 1
1 729 . 18 1 1 A 57 57 SER C C 54 174.225 175.228 -1.003 1
1 730 . 18 1 1 A 58 58 GLY N N 55 110.300 110.247 0.053 1
1 731 . 18 1 1 A 58 58 GLY H H 55 8.545 7.803 0.742 1
1 732 . 18 1 1 A 58 58 GLY CA C 55 43.806 44.315 -0.509 1
1 733 . 18 1 1 A 58 58 GLY HA2 H 55 4.009 4.025 -0.016 1
1 734 . 18 1 1 A 58 58 GLY HA3 H 55 3.715 4.027 -0.312 1
1 735 . 18 1 1 A 58 58 GLY C C 55 172.483 173.193 -0.710 1
1 736 . 18 1 1 A 59 59 ARG N N 56 116.392 120.077 -3.685 1
1 737 . 18 1 1 A 59 59 ARG H H 56 7.913 8.645 -0.732 1
1 738 . 18 1 1 A 59 59 ARG CA C 56 54.769 53.926 0.843 1
1 739 . 18 1 1 A 59 59 ARG HA H 56 4.371 4.908 -0.537 1
1 740 . 18 1 1 A 59 59 ARG CB C 56 30.447 33.277 -2.830 1
1 752 . 18 1 1 A 59 59 ARG C C 56 176.019 176.197 -0.178 1
1 753 . 18 1 1 A 60 60 LYS N N 57 122.009 117.809 4.200 1
1 754 . 18 1 1 A 60 60 LYS H H 57 8.811 8.937 -0.126 1
1 755 . 18 1 1 A 60 60 LYS CA C 57 61.236 59.065 2.171 1
1 756 . 18 1 1 A 60 60 LYS HA H 57 3.606 4.026 -0.420 1
1 757 . 18 1 1 A 60 60 LYS CB C 57 32.419 31.908 0.511 1
1 769 . 18 1 1 A 60 60 LYS C C 57 176.824 178.544 -1.720 1
1 770 . 18 1 1 A 61 61 ALA N N 58 116.880 121.835 -4.955 1
1 771 . 18 1 1 A 61 61 ALA H H 58 8.794 7.811 0.983 1
1 772 . 18 1 1 A 61 61 ALA CA C 58 54.617 55.079 -0.462 1
1 773 . 18 1 1 A 61 61 ALA HA H 58 4.129 4.049 0.080 1
1 777 . 18 1 1 A 61 61 ALA CB C 58 18.103 18.428 -0.325 1
1 778 . 18 1 1 A 61 61 ALA C C 58 179.574 180.014 -0.440 1
1 779 . 18 1 1 A 62 62 VAL N N 59 117.408 118.444 -1.036 1
1 780 . 18 1 1 A 62 62 VAL H H 59 7.047 7.684 -0.637 1
1 781 . 18 1 1 A 62 62 VAL CA C 59 64.864 66.998 -2.134 1
1 782 . 18 1 1 A 62 62 VAL HA H 59 3.701 3.505 0.196 1
1 783 . 18 1 1 A 62 62 VAL CB C 59 31.301 31.277 0.024 1
1 793 . 18 1 1 A 62 62 VAL C C 59 178.103 178.404 -0.301 1
1 794 . 18 1 1 A 63 63 LEU N N 60 119.573 119.717 -0.144 1
1 795 . 18 1 1 A 63 63 LEU H H 60 7.585 8.149 -0.564 1
1 796 . 18 1 1 A 63 63 LEU CA C 60 57.571 58.157 -0.586 1
1 797 . 18 1 1 A 63 63 LEU HA H 60 3.923 3.841 0.082 1
1 798 . 18 1 1 A 63 63 LEU CB C 60 41.711 41.654 0.057 1
1 810 . 18 1 1 A 63 63 LEU C C 60 178.692 178.916 -0.224 1
1 811 . 18 1 1 A 64 64 GLN N N 61 114.206 117.340 -3.134 1
1 812 . 18 1 1 A 64 64 GLN H H 61 8.373 8.515 -0.142 1
1 813 . 18 1 1 A 64 64 GLN CA C 61 58.039 58.411 -0.372 1
1 814 . 18 1 1 A 64 64 GLN HA H 61 4.090 4.013 0.077 1
1 815 . 18 1 1 A 64 64 GLN CB C 61 28.670 28.172 0.498 1
1 821 . 18 1 1 A 64 64 GLN C C 61 178.207 177.289 0.918 1
1 822 . 18 1 1 A 65 65 ASP N N 62 118.671 120.154 -1.483 1
1 823 . 18 1 1 A 65 65 ASP H H 62 7.973 7.802 0.171 1
1 824 . 18 1 1 A 65 65 ASP CA C 62 56.961 57.398 -0.437 1
1 825 . 18 1 1 A 65 65 ASP HA H 62 4.353 4.482 -0.129 1
1 826 . 18 1 1 A 65 65 ASP CB C 62 39.856 40.902 -1.046 1
1 829 . 18 1 1 A 65 65 ASP C C 62 178.113 178.968 -0.855 1
1 830 . 18 1 1 A 66 66 LEU N N 63 119.708 120.730 -1.022 1
1 831 . 18 1 1 A 66 66 LEU H H 63 7.970 8.192 -0.222 1
1 832 . 18 1 1 A 66 66 LEU CA C 63 57.549 57.961 -0.412 1
1 833 . 18 1 1 A 66 66 LEU HA H 63 3.838 4.063 -0.225 1
1 834 . 18 1 1 A 66 66 LEU CB C 63 41.235 41.962 -0.727 1
1 847 . 18 1 1 A 66 66 LEU C C 63 180.041 178.912 1.129 1
1 848 . 18 1 1 A 67 67 ILE N N 64 118.309 119.404 -1.095 1
1 849 . 18 1 1 A 67 67 ILE H H 64 7.555 7.947 -0.392 1
1 850 . 18 1 1 A 67 67 ILE CA C 64 63.895 65.102 -1.207 1
1 851 . 18 1 1 A 67 67 ILE HA H 64 3.794 3.394 0.400 1
1 852 . 18 1 1 A 67 67 ILE CB C 64 37.181 37.469 -0.288 1
1 865 . 18 1 1 A 67 67 ILE C C 64 176.949 177.959 -1.010 1
1 866 . 18 1 1 A 68 68 ARG N N 65 122.359 120.370 1.989 1
1 867 . 18 1 1 A 68 68 ARG H H 65 9.489 8.275 1.214 1
1 868 . 18 1 1 A 68 68 ARG CA C 65 60.488 59.887 0.601 1
1 869 . 18 1 1 A 68 68 ARG HA H 65 3.692 3.958 -0.266 1
1 870 . 18 1 1 A 68 68 ARG CB C 65 29.897 29.953 -0.056 1
1 880 . 18 1 1 A 68 68 ARG C C 65 177.728 179.240 -1.512 1
1 881 . 18 1 1 A 69 69 ASN N N 66 116.248 116.394 -0.146 1
1 882 . 18 1 1 A 69 69 ASN H H 66 8.546 8.477 0.069 1
1 883 . 18 1 1 A 69 69 ASN CA C 66 55.945 56.486 -0.541 1
1 884 . 18 1 1 A 69 69 ASN HA H 66 4.391 4.528 -0.137 1
1 885 . 18 1 1 A 69 69 ASN CB C 66 37.828 38.114 -0.286 1
1 891 . 18 1 1 A 69 69 ASN C C 66 176.520 178.507 -1.987 1
1 892 . 18 1 1 A 70 70 PHE N N 67 121.134 120.882 0.252 1
1 893 . 18 1 1 A 70 70 PHE H H 67 7.693 8.294 -0.601 1
1 894 . 18 1 1 A 70 70 PHE CA C 67 60.170 61.014 -0.844 1
1 895 . 18 1 1 A 70 70 PHE HA H 67 4.535 4.294 0.241 1
1 896 . 18 1 1 A 70 70 PHE CB C 67 39.838 39.255 0.583 1
1 902 . 18 1 1 A 70 70 PHE C C 67 177.756 177.990 -0.234 1
1 903 . 18 1 1 A 71 71 LEU N N 68 117.959 120.229 -2.270 1
1 904 . 18 1 1 A 71 71 LEU H H 68 8.336 8.280 0.056 1
1 905 . 18 1 1 A 71 71 LEU CA C 68 57.468 57.954 -0.486 1
1 906 . 18 1 1 A 71 71 LEU HA H 68 3.828 4.033 -0.205 1
1 907 . 18 1 1 A 71 71 LEU CB C 68 42.156 41.555 0.601 1
1 919 . 18 1 1 A 71 71 LEU C C 68 178.037 178.831 -0.794 1
1 920 . 18 1 1 A 72 72 GLN N N 69 117.479 118.173 -0.694 1
1 921 . 18 1 1 A 72 72 GLN H H 69 8.802 8.271 0.531 1
1 922 . 18 1 1 A 72 72 GLN CA C 69 58.632 59.416 -0.784 1
1 923 . 18 1 1 A 72 72 GLN HA H 69 3.906 3.935 -0.029 1
1 924 . 18 1 1 A 72 72 GLN CB C 69 27.010 28.370 -1.360 1
1 933 . 18 1 1 A 72 72 GLN C C 69 179.337 178.178 1.159 1
1 934 . 18 1 1 A 73 73 ASN N N 70 117.551 116.268 1.283 1
1 935 . 18 1 1 A 73 73 ASN H H 70 8.124 8.261 -0.137 1
1 936 . 18 1 1 A 73 73 ASN CA C 70 54.051 55.041 -0.990 1
1 937 . 18 1 1 A 73 73 ASN HA H 70 4.602 4.512 0.090 1
1 938 . 18 1 1 A 73 73 ASN CB C 70 37.810 38.461 -0.651 1
1 944 . 18 1 1 A 73 73 ASN C C 70 175.490 177.790 -2.300 1
1 945 . 18 1 1 A 74 74 ALA N N 71 120.962 120.791 0.171 1
1 946 . 18 1 1 A 74 74 ALA H H 71 7.787 7.650 0.137 1
1 947 . 18 1 1 A 74 74 ALA CA C 71 53.143 54.151 -1.008 1
1 948 . 18 1 1 A 74 74 ALA HA H 71 4.193 4.084 0.109 1
1 952 . 18 1 1 A 74 74 ALA CB C 71 19.064 18.489 0.575 1
1 953 . 18 1 1 A 74 74 ALA C C 71 176.255 177.866 -1.611 1
1 954 . 18 1 1 A 75 75 LEU N N 72 112.822 111.393 1.429 1
1 955 . 18 1 1 A 75 75 LEU H H 72 7.381 7.550 -0.169 1
1 956 . 18 1 1 A 75 75 LEU CA C 72 52.987 53.581 -0.594 1
1 957 . 18 1 1 A 75 75 LEU HA H 72 4.305 4.568 -0.263 1
1 958 . 18 1 1 A 75 75 LEU CB C 72 41.490 41.855 -0.365 1
1 971 . 18 1 1 A 75 75 LEU C C 72 175.867 175.927 -0.060 1
1 972 . 18 1 1 A 76 76 VAL N N 73 120.671 122.429 -1.758 1
1 973 . 18 1 1 A 76 76 VAL H H 73 6.797 7.977 -1.180 1
1 974 . 18 1 1 A 76 76 VAL CA C 73 62.994 60.604 2.390 1
1 975 . 18 1 1 A 76 76 VAL HA H 73 3.707 4.467 -0.760 1
1 976 . 18 1 1 A 76 76 VAL CB C 73 32.014 34.432 -2.418 1
1 986 . 18 1 1 A 76 76 VAL C C 73 176.144 175.951 0.193 1
1 987 . 18 1 1 A 77 77 VAL N N 74 128.303 125.707 2.596 1
1 988 . 18 1 1 A 77 77 VAL H H 74 8.407 8.524 -0.117 1
1 989 . 18 1 1 A 77 77 VAL CA C 74 64.673 65.233 -0.560 1
1 990 . 18 1 1 A 77 77 VAL HA H 74 3.651 3.549 0.102 1
1 991 . 18 1 1 A 77 77 VAL CB C 74 30.789 31.321 -0.532 1
1 1001 . 18 1 1 A 77 77 VAL C C 74 176.911 177.352 -0.441 1
1 1002 . 18 1 1 A 78 78 GLY N N 75 116.087 115.219 0.868 1
1 1003 . 18 1 1 A 78 78 GLY H H 75 8.827 8.679 0.148 1
1 1004 . 18 1 1 A 78 78 GLY CA C 75 45.004 46.058 -1.054 1
1 1005 . 18 1 1 A 78 78 GLY HA2 H 75 4.236 3.935 0.301 1
1 1006 . 18 1 1 A 78 78 GLY HA3 H 75 3.738 3.937 -0.199 1
1 1007 . 18 1 1 A 78 78 GLY C C 75 173.779 174.267 -0.488 1
1 1008 . 18 1 1 A 79 79 LYS N N 76 121.612 120.877 0.735 1
1 1009 . 18 1 1 A 79 79 LYS H H 76 8.140 7.735 0.405 1
1 1010 . 18 1 1 A 79 79 LYS CA C 76 54.078 55.526 -1.448 1
1 1011 . 18 1 1 A 79 79 LYS HA H 76 4.588 4.491 0.097 1
1 1012 . 18 1 1 A 79 79 LYS CB C 76 32.708 33.088 -0.380 1
1 1024 . 18 1 1 A 79 79 LYS C C 76 175.177 175.536 -0.359 1
1 1025 . 18 1 1 A 80 80 SER N N 77 117.166 115.006 2.160 1
1 1026 . 18 1 1 A 80 80 SER H H 77 8.241 7.701 0.540 1
1 1027 . 18 1 1 A 80 80 SER CA C 77 59.173 58.543 0.630 1
1 1028 . 18 1 1 A 80 80 SER HA H 77 4.356 4.316 0.040 1
1 1029 . 18 1 1 A 80 80 SER CB C 77 63.288 64.001 -0.713 1
1 1032 . 18 1 1 A 80 80 SER C C 77 174.793 173.700 1.093 1
1 1033 . 18 1 1 A 81 81 ASP N N 78 118.775 120.551 -1.776 1
1 1034 . 18 1 1 A 81 81 ASP H H 78 8.506 8.578 -0.072 1
1 1035 . 18 1 1 A 81 81 ASP CA C 78 50.069 51.356 -1.287 1
1 1036 . 18 1 1 A 81 81 ASP HA H 78 5.423 5.021 0.402 1
1 1037 . 18 1 1 A 81 81 ASP CB C 78 41.498 41.392 0.106 1
1 1041 . 18 1 1 A 82 82 PRO CA C 79 63.656 64.454 -0.798 1
1 1042 . 18 1 1 A 82 82 PRO HA H 79 4.271 4.305 -0.034 1
1 1043 . 18 1 1 A 82 82 PRO CB C 79 31.303 31.807 -0.504 1
1 1051 . 18 1 1 A 82 82 PRO C C 79 178.645 178.250 0.395 1
1 1052 . 18 1 1 A 83 83 TYR N N 80 117.360 117.640 -0.280 1
1 1053 . 18 1 1 A 83 83 TYR H H 80 7.561 7.367 0.194 1
1 1054 . 18 1 1 A 83 83 TYR CA C 80 59.635 61.614 -1.979 1
1 1055 . 18 1 1 A 83 83 TYR HA H 80 4.163 4.496 -0.333 1
1 1056 . 18 1 1 A 83 83 TYR CB C 80 35.602 38.518 -2.916 1
1 1065 . 18 1 1 A 83 83 TYR C C 80 176.904 178.521 -1.617 1
1 1066 . 18 1 1 A 84 84 ARG N N 81 120.833 118.958 1.875 1
1 1067 . 18 1 1 A 84 84 ARG H H 81 7.898 8.289 -0.391 1
1 1068 . 18 1 1 A 84 84 ARG CA C 81 58.332 59.067 -0.735 1
1 1069 . 18 1 1 A 84 84 ARG HA H 81 4.615 4.246 0.369 1
1 1070 . 18 1 1 A 84 84 ARG CB C 81 28.242 29.743 -1.501 1
1 1071 . 18 1 1 A 84 84 ARG C C 81 176.940 179.129 -2.189 1
1 1072 . 18 1 1 A 85 85 VAL N N 82 117.345 120.146 -2.801 1
1 1073 . 18 1 1 A 85 85 VAL H H 82 6.971 7.647 -0.676 1
1 1074 . 18 1 1 A 85 85 VAL CA C 82 65.663 67.077 -1.414 1
1 1075 . 18 1 1 A 85 85 VAL HA H 82 3.417 3.594 -0.177 1
1 1076 . 18 1 1 A 85 85 VAL CB C 82 31.165 31.707 -0.542 1
1 1085 . 18 1 1 A 85 85 VAL C C 82 176.601 177.955 -1.354 1
1 1086 . 18 1 1 A 86 86 GLN N N 83 117.137 119.873 -2.736 1
1 1087 . 18 1 1 A 86 86 GLN H H 83 7.536 8.699 -1.163 1
1 1088 . 18 1 1 A 86 86 GLN CA C 83 58.230 58.558 -0.328 1
1 1089 . 18 1 1 A 86 86 GLN HA H 83 3.953 4.123 -0.170 1
1 1090 . 18 1 1 A 86 86 GLN CB C 83 28.240 28.142 0.098 1
1 1099 . 18 1 1 A 86 86 GLN C C 83 178.602 178.119 0.483 1
1 1100 . 18 1 1 A 87 87 ALA N N 84 121.452 122.366 -0.914 1
1 1101 . 18 1 1 A 87 87 ALA H H 84 8.843 7.979 0.864 1
1 1102 . 18 1 1 A 87 87 ALA CA C 84 54.905 55.212 -0.307 1
1 1103 . 18 1 1 A 87 87 ALA HA H 84 4.048 4.173 -0.125 1
1 1107 . 18 1 1 A 87 87 ALA CB C 84 18.088 18.600 -0.512 1
1 1108 . 18 1 1 A 87 87 ALA C C 84 178.498 179.860 -1.362 1
1 1109 . 18 1 1 A 88 88 VAL N N 85 117.570 118.309 -0.739 1
1 1110 . 18 1 1 A 88 88 VAL H H 85 8.515 8.613 -0.098 1
1 1111 . 18 1 1 A 88 88 VAL CA C 85 67.315 66.423 0.892 1
1 1112 . 18 1 1 A 88 88 VAL HA H 85 3.764 3.528 0.236 1
1 1113 . 18 1 1 A 88 88 VAL CB C 85 30.610 31.658 -1.048 1
1 1123 . 18 1 1 A 88 88 VAL C C 85 177.138 177.776 -0.638 1
1 1124 . 18 1 1 A 89 89 LYS N N 86 120.005 120.694 -0.689 1
1 1125 . 18 1 1 A 89 89 LYS H H 86 8.612 8.366 0.246 1
1 1126 . 18 1 1 A 89 89 LYS CA C 86 60.851 59.564 1.287 1
1 1127 . 18 1 1 A 89 89 LYS HA H 86 3.827 3.975 -0.148 1
1 1128 . 18 1 1 A 89 89 LYS CB C 86 31.974 32.143 -0.169 1
1 1140 . 18 1 1 A 89 89 LYS C C 86 178.096 178.665 -0.569 1
1 1141 . 18 1 1 A 90 90 PHE N N 87 119.839 120.571 -0.732 1
1 1142 . 18 1 1 A 90 90 PHE H H 87 8.184 7.984 0.200 1
1 1143 . 18 1 1 A 90 90 PHE CA C 87 60.604 61.267 -0.663 1
1 1144 . 18 1 1 A 90 90 PHE HA H 87 4.302 4.274 0.028 1
1 1145 . 18 1 1 A 90 90 PHE CB C 87 38.349 39.011 -0.662 1
1 1154 . 18 1 1 A 90 90 PHE C C 87 177.748 177.379 0.369 1
1 1155 . 18 1 1 A 91 91 LEU N N 88 118.977 119.557 -0.580 1
1 1156 . 18 1 1 A 91 91 LEU H H 88 8.604 8.652 -0.048 1
1 1157 . 18 1 1 A 91 91 LEU CA C 88 58.058 58.462 -0.404 1
1 1158 . 18 1 1 A 91 91 LEU HA H 88 3.975 3.892 0.083 1
1 1159 . 18 1 1 A 91 91 LEU CB C 88 41.114 41.985 -0.871 1
1 1169 . 18 1 1 A 91 91 LEU C C 88 178.106 179.180 -1.074 1
1 1170 . 18 1 1 A 92 92 ILE N N 89 118.378 118.896 -0.518 1
1 1171 . 18 1 1 A 92 92 ILE H H 89 8.420 8.684 -0.264 1
1 1172 . 18 1 1 A 92 92 ILE CA C 89 65.761 65.913 -0.152 1
1 1173 . 18 1 1 A 92 92 ILE HA H 89 3.542 3.478 0.064 1
1 1174 . 18 1 1 A 92 92 ILE CB C 89 37.372 38.063 -0.691 1
1 1184 . 18 1 1 A 92 92 ILE C C 89 176.952 178.204 -1.252 1
1 1185 . 18 1 1 A 93 93 GLU N N 90 120.262 120.343 -0.081 1
1 1186 . 18 1 1 A 93 93 GLU H H 90 8.133 8.153 -0.020 1
1 1187 . 18 1 1 A 93 93 GLU CA C 90 58.766 59.735 -0.969 1
1 1188 . 18 1 1 A 93 93 GLU HA H 90 4.038 3.889 0.149 1
1 1189 . 18 1 1 A 93 93 GLU CB C 90 28.466 29.093 -0.627 1
1 1195 . 18 1 1 A 93 93 GLU C C 90 178.689 179.031 -0.342 1
1 1196 . 18 1 1 A 94 94 ARG N N 91 117.630 119.305 -1.675 1
1 1197 . 18 1 1 A 94 94 ARG H H 91 7.952 7.766 0.186 1
1 1198 . 18 1 1 A 94 94 ARG CA C 91 58.343 59.005 -0.662 1
1 1199 . 18 1 1 A 94 94 ARG HA H 91 3.941 4.038 -0.097 1
1 1200 . 18 1 1 A 94 94 ARG CB C 91 29.048 29.759 -0.711 1
1 1215 . 18 1 1 A 94 94 ARG C C 91 178.875 178.453 0.422 1
1 1216 . 18 1 1 A 95 95 ILE N N 92 120.056 120.484 -0.428 1
1 1217 . 18 1 1 A 95 95 ILE H H 92 8.225 8.176 0.049 1
1 1218 . 18 1 1 A 95 95 ILE CA C 92 63.296 65.192 -1.896 1
1 1219 . 18 1 1 A 95 95 ILE HA H 92 3.972 3.685 0.287 1
1 1220 . 18 1 1 A 95 95 ILE CB C 92 36.921 37.772 -0.851 1
1 1233 . 18 1 1 A 95 95 ILE C C 92 180.242 178.262 1.980 1
1 1234 . 18 1 1 A 96 96 ARG N N 93 121.023 120.686 0.337 1
1 1235 . 18 1 1 A 96 96 ARG H H 93 8.259 8.574 -0.315 1
1 1236 . 18 1 1 A 96 96 ARG CA C 93 58.401 57.801 0.600 1
1 1237 . 18 1 1 A 96 96 ARG HA H 93 4.068 4.176 -0.108 1
1 1238 . 18 1 1 A 96 96 ARG CB C 93 29.474 29.106 0.368 1
1 1254 . 18 1 1 A 96 96 ARG C C 93 177.500 177.110 0.390 1
1 1255 . 18 1 1 A 97 97 LYS N N 94 116.750 119.367 -2.617 1
1 1256 . 18 1 1 A 97 97 LYS H H 94 7.527 7.559 -0.032 1
1 1257 . 18 1 1 A 97 97 LYS CA C 94 55.282 56.275 -0.993 1
1 1258 . 18 1 1 A 97 97 LYS HA H 94 4.274 4.405 -0.131 1
1 1259 . 18 1 1 A 97 97 LYS CB C 94 32.112 33.226 -1.114 1
1 1271 . 18 1 1 A 97 97 LYS C C 94 174.901 176.191 -1.290 1
1 1272 . 18 1 1 A 98 98 ASN N N 95 116.979 118.518 -1.539 1
1 1273 . 18 1 1 A 98 98 ASN H H 95 8.150 7.973 0.177 1
1 1274 . 18 1 1 A 98 98 ASN CA C 95 53.822 54.462 -0.640 1
1 1275 . 18 1 1 A 98 98 ASN HA H 95 4.370 4.237 0.133 1
1 1276 . 18 1 1 A 98 98 ASN CB C 95 36.674 37.308 -0.634 1
1 1282 . 18 1 1 A 98 98 ASN C C 95 173.779 174.107 -0.328 1
1 1283 . 18 1 1 A 99 99 GLU N N 96 118.529 118.436 0.093 1
1 1284 . 18 1 1 A 99 99 GLU H H 96 8.236 8.431 -0.195 1
1 1285 . 18 1 1 A 99 99 GLU CA C 96 52.891 53.974 -1.083 1
1 1286 . 18 1 1 A 99 99 GLU HA H 96 4.673 4.696 -0.023 1
1 1287 . 18 1 1 A 99 99 GLU CB C 96 30.358 29.493 0.865 1
1 1292 . 18 1 1 A 100 100 PRO CA C 97 62.037 62.779 -0.742 1
1 1293 . 18 1 1 A 100 100 PRO HA H 97 4.272 4.593 -0.321 1
1 1294 . 18 1 1 A 100 100 PRO CB C 97 31.609 32.486 -0.877 1
1 1302 . 18 1 1 A 100 100 PRO C C 97 176.184 175.611 0.573 1
1 1303 . 18 1 1 A 101 101 LEU N N 98 122.794 123.290 -0.496 1
1 1304 . 18 1 1 A 101 101 LEU H H 98 8.832 8.471 0.361 1
1 1305 . 18 1 1 A 101 101 LEU CA C 98 52.524 52.217 0.307 1
1 1306 . 18 1 1 A 101 101 LEU HA H 98 4.654 4.886 -0.232 1
1 1307 . 18 1 1 A 101 101 LEU CB C 98 40.422 42.351 -1.929 1
1 1321 . 18 1 1 A 102 102 PRO CA C 99 61.075 62.225 -1.150 1
1 1322 . 18 1 1 A 102 102 PRO HA H 99 4.629 4.629 0.000 1
1 1323 . 18 1 1 A 102 102 PRO CB C 99 31.778 33.139 -1.361 1
1 1328 . 18 1 1 A 102 102 PRO C C 99 174.604 176.377 -1.773 1
1 1329 . 18 1 1 A 103 103 VAL N N 100 120.834 120.941 -0.107 1
1 1330 . 18 1 1 A 103 103 VAL H H 100 8.661 8.539 0.122 1
1 1331 . 18 1 1 A 103 103 VAL CA C 100 62.977 62.648 0.329 1
1 1332 . 18 1 1 A 103 103 VAL HA H 100 3.860 4.114 -0.254 1
1 1333 . 18 1 1 A 103 103 VAL CB C 100 31.731 32.039 -0.308 1
1 1342 . 18 1 1 A 103 103 VAL C C 100 177.396 176.235 1.161 1
1 1343 . 18 1 1 A 104 104 TYR N N 101 129.973 127.021 2.952 1
1 1344 . 18 1 1 A 104 104 TYR H H 101 8.487 9.285 -0.798 1
1 1345 . 18 1 1 A 104 104 TYR CA C 101 62.855 61.987 0.868 1
1 1346 . 18 1 1 A 104 104 TYR HA H 101 3.802 4.121 -0.319 1
1 1347 . 18 1 1 A 104 104 TYR CB C 101 38.429 38.791 -0.362 1
1 1356 . 18 1 1 A 104 104 TYR C C 101 175.877 177.638 -1.761 1
1 1357 . 18 1 1 A 105 105 LYS N N 102 117.165 119.301 -2.136 1
1 1358 . 18 1 1 A 105 105 LYS H H 102 8.848 8.271 0.577 1
1 1359 . 18 1 1 A 105 105 LYS CA C 102 59.343 59.720 -0.377 1
1 1360 . 18 1 1 A 105 105 LYS HA H 102 3.810 4.048 -0.238 1
1 1361 . 18 1 1 A 105 105 LYS CB C 102 31.739 32.288 -0.549 1
1 1373 . 18 1 1 A 105 105 LYS C C 102 177.370 178.284 -0.914 1
1 1374 . 18 1 1 A 106 106 ASP N N 103 117.011 120.523 -3.512 1
1 1375 . 18 1 1 A 106 106 ASP H H 103 6.781 8.261 -1.480 1
1 1376 . 18 1 1 A 106 106 ASP CA C 103 56.155 57.765 -1.610 1
1 1377 . 18 1 1 A 106 106 ASP HA H 103 4.454 4.340 0.114 1
1 1378 . 18 1 1 A 106 106 ASP CB C 103 39.467 41.467 -2.000 1
1 1381 . 18 1 1 A 106 106 ASP C C 103 178.180 178.159 0.021 1
1 1382 . 18 1 1 A 107 107 LEU N N 104 124.145 119.841 4.304 1
1 1383 . 18 1 1 A 107 107 LEU H H 104 7.687 8.258 -0.571 1
1 1384 . 18 1 1 A 107 107 LEU CA C 104 56.938 57.930 -0.992 1
1 1385 . 18 1 1 A 107 107 LEU HA H 104 4.000 3.916 0.084 1
1 1386 . 18 1 1 A 107 107 LEU CB C 104 41.707 41.666 0.041 1
1 1399 . 18 1 1 A 107 107 LEU C C 104 176.403 178.662 -2.259 1
1 1400 . 18 1 1 A 108 108 TRP N N 105 120.039 120.406 -0.367 1
1 1401 . 18 1 1 A 108 108 TRP H H 105 9.072 8.200 0.872 1
1 1402 . 18 1 1 A 108 108 TRP CA C 105 62.392 60.327 2.065 1
1 1403 . 18 1 1 A 108 108 TRP HA H 105 3.547 3.867 -0.320 1
1 1404 . 18 1 1 A 108 108 TRP CB C 105 28.316 29.119 -0.803 1
1 1415 . 18 1 1 A 108 108 TRP C C 105 176.983 178.147 -1.164 1
1 1416 . 18 1 1 A 109 109 ASN N N 106 113.557 116.416 -2.859 1
1 1417 . 18 1 1 A 109 109 ASN H H 106 8.058 8.356 -0.298 1
1 1418 . 18 1 1 A 109 109 ASN CA C 106 55.662 55.945 -0.283 1
1 1419 . 18 1 1 A 109 109 ASN HA H 106 3.994 3.791 0.203 1
1 1420 . 18 1 1 A 109 109 ASN CB C 106 37.973 37.520 0.453 1
1 1426 . 18 1 1 A 109 109 ASN C C 106 176.928 177.357 -0.429 1
1 1427 . 18 1 1 A 110 110 ALA N N 107 121.997 122.412 -0.415 1
1 1428 . 18 1 1 A 110 110 ALA H H 107 7.718 7.713 0.005 1
1 1429 . 18 1 1 A 110 110 ALA CA C 107 54.261 55.003 -0.742 1
1 1430 . 18 1 1 A 110 110 ALA HA H 107 3.979 4.008 -0.029 1
1 1434 . 18 1 1 A 110 110 ALA CB C 107 17.322 18.379 -1.057 1
1 1435 . 18 1 1 A 110 110 ALA C C 107 180.452 179.972 0.480 1
1 1436 . 18 1 1 A 111 111 LEU N N 108 119.150 117.803 1.347 1
1 1437 . 18 1 1 A 111 111 LEU H H 108 8.200 8.091 0.109 1
1 1438 . 18 1 1 A 111 111 LEU CA C 108 56.264 57.456 -1.192 1
1 1439 . 18 1 1 A 111 111 LEU HA H 108 3.857 3.932 -0.075 1
1 1440 . 18 1 1 A 111 111 LEU CB C 108 41.134 40.963 0.171 1
1 1453 . 18 1 1 A 111 111 LEU C C 108 178.144 179.232 -1.088 1
1 1454 . 18 1 1 A 112 112 ARG N N 109 117.178 120.206 -3.028 1
1 1455 . 18 1 1 A 112 112 ARG H H 109 7.365 7.975 -0.610 1
1 1456 . 18 1 1 A 112 112 ARG CA C 109 56.443 59.701 -3.258 1
1 1457 . 18 1 1 A 112 112 ARG HA H 109 2.642 3.886 -1.244 1
1 1458 . 18 1 1 A 112 112 ARG CB C 109 28.901 29.529 -0.628 1
1 1469 . 18 1 1 A 112 112 ARG C C 109 176.348 178.736 -2.388 1
1 1470 . 18 1 1 A 113 113 LYS N N 110 118.628 119.200 -0.572 1
1 1471 . 18 1 1 A 113 113 LYS H H 110 7.145 7.677 -0.532 1
1 1472 . 18 1 1 A 113 113 LYS CA C 110 56.410 58.432 -2.022 1
1 1473 . 18 1 1 A 113 113 LYS HA H 110 4.018 4.133 -0.115 1
1 1474 . 18 1 1 A 113 113 LYS CB C 110 32.091 32.800 -0.709 1
1 1486 . 18 1 1 A 113 113 LYS C C 110 176.164 177.243 -1.079 1
1 5 . 19 1 1 A 2 2 SER N N -2 115.414 115.530 -0.116 1
1 6 . 19 1 1 A 2 2 SER H H -2 8.737 8.692 0.045 1
1 7 . 19 1 1 A 2 2 SER CA C -2 57.710 58.917 -1.207 1
1 8 . 19 1 1 A 2 2 SER HA H -2 4.446 4.670 -0.224 1
1 9 . 19 1 1 A 2 2 SER CB C -2 63.365 66.006 -2.641 1
1 12 . 19 1 1 A 2 2 SER C C -2 173.826 174.400 -0.574 1
1 40 . 19 1 1 A 5 5 ILE N N 2 122.114 119.919 2.195 1
1 41 . 19 1 1 A 5 5 ILE H H 2 8.292 7.538 0.754 1
1 42 . 19 1 1 A 5 5 ILE CA C 2 60.568 59.599 0.969 1
1 43 . 19 1 1 A 5 5 ILE HA H 2 4.102 4.877 -0.775 1
1 44 . 19 1 1 A 5 5 ILE CB C 2 38.417 41.960 -3.543 1
1 57 . 19 1 1 A 5 5 ILE C C 2 174.970 174.298 0.672 1
1 58 . 19 1 1 A 6 6 ASN N N 3 122.794 120.797 1.997 1
1 59 . 19 1 1 A 6 6 ASN H H 3 8.636 8.727 -0.091 1
1 60 . 19 1 1 A 6 6 ASN CA C 3 52.274 53.217 -0.943 1
1 61 . 19 1 1 A 6 6 ASN HA H 3 4.712 5.199 -0.487 1
1 62 . 19 1 1 A 6 6 ASN CB C 3 38.194 42.608 -4.414 1
1 68 . 19 1 1 A 6 6 ASN C C 3 174.766 175.193 -0.427 1
1 69 . 19 1 1 A 7 7 LEU N N 4 123.220 124.244 -1.024 1
1 70 . 19 1 1 A 7 7 LEU H H 4 8.484 8.794 -0.310 1
1 71 . 19 1 1 A 7 7 LEU CA C 4 55.359 58.224 -2.865 1
1 72 . 19 1 1 A 7 7 LEU HA H 4 4.197 3.973 0.224 1
1 73 . 19 1 1 A 7 7 LEU CB C 4 41.461 41.510 -0.049 1
1 86 . 19 1 1 A 7 7 LEU C C 4 177.248 178.356 -1.108 1
1 87 . 19 1 1 A 8 8 GLU N N 5 119.354 120.177 -0.823 1
1 88 . 19 1 1 A 8 8 GLU H H 5 8.455 9.265 -0.810 1
1 89 . 19 1 1 A 8 8 GLU CA C 5 56.589 58.261 -1.672 1
1 90 . 19 1 1 A 8 8 GLU HA H 5 4.091 4.189 -0.098 1
1 91 . 19 1 1 A 8 8 GLU CB C 5 29.275 28.300 0.975 1
1 97 . 19 1 1 A 8 8 GLU C C 5 175.981 176.463 -0.482 1
1 98 . 19 1 1 A 9 9 ASP N N 6 119.780 120.153 -0.373 1
1 99 . 19 1 1 A 9 9 ASP H H 6 8.136 7.899 0.237 1
1 100 . 19 1 1 A 9 9 ASP CA C 6 53.931 53.324 0.607 1
1 101 . 19 1 1 A 9 9 ASP HA H 6 4.492 4.924 -0.432 1
1 102 . 19 1 1 A 9 9 ASP CB C 6 40.360 41.530 -1.170 1
1 105 . 19 1 1 A 9 9 ASP C C 6 175.397 175.780 -0.383 1
1 106 . 19 1 1 A 10 10 TYR N N 7 119.939 122.643 -2.704 1
1 107 . 19 1 1 A 10 10 TYR H H 7 7.902 8.085 -0.183 1
1 108 . 19 1 1 A 10 10 TYR CA C 7 57.667 57.077 0.590 1
1 109 . 19 1 1 A 10 10 TYR HA H 7 4.431 4.878 -0.447 1
1 110 . 19 1 1 A 10 10 TYR CB C 7 38.236 39.545 -1.309 1
1 119 . 19 1 1 A 10 10 TYR C C 7 174.898 175.559 -0.661 1
1 120 . 19 1 1 A 11 11 TRP N N 8 122.648 121.090 1.558 1
1 121 . 19 1 1 A 11 11 TRP H H 8 7.917 8.099 -0.182 1
1 122 . 19 1 1 A 11 11 TRP CA C 8 56.562 58.263 -1.701 1
1 123 . 19 1 1 A 11 11 TRP HA H 8 4.578 4.221 0.357 1
1 124 . 19 1 1 A 11 11 TRP CB C 8 29.293 27.759 1.534 1
1 139 . 19 1 1 A 11 11 TRP C C 8 175.212 175.002 0.210 1
1 140 . 19 1 1 A 12 12 GLU N N 9 122.189 116.426 5.763 1
1 141 . 19 1 1 A 12 12 GLU H H 9 8.030 7.605 0.425 1
1 142 . 19 1 1 A 12 12 GLU CA C 9 55.743 55.364 0.379 1
1 143 . 19 1 1 A 12 12 GLU HA H 9 4.137 5.021 -0.884 1
1 144 . 19 1 1 A 12 12 GLU CB C 9 30.001 32.844 -2.843 1
1 150 . 19 1 1 A 12 12 GLU C C 9 175.138 175.063 0.075 1
1 151 . 19 1 1 A 13 13 ASP N N 10 121.099 122.182 -1.083 1
1 152 . 19 1 1 A 13 13 ASP H H 10 8.253 9.069 -0.816 1
1 153 . 19 1 1 A 13 13 ASP CA C 10 53.843 54.017 -0.174 1
1 154 . 19 1 1 A 13 13 ASP HA H 10 4.500 4.883 -0.383 1
1 155 . 19 1 1 A 13 13 ASP CB C 10 40.715 42.235 -1.520 1
1 158 . 19 1 1 A 13 13 ASP C C 10 175.700 175.366 0.334 1
1 159 . 19 1 1 A 14 14 GLU N N 11 121.240 120.524 0.716 1
1 160 . 19 1 1 A 14 14 GLU H H 11 8.435 7.684 0.751 1
1 161 . 19 1 1 A 14 14 GLU CA C 11 55.858 55.631 0.227 1
1 162 . 19 1 1 A 14 14 GLU HA H 11 4.289 4.566 -0.277 1
1 163 . 19 1 1 A 14 14 GLU CB C 11 29.758 30.032 -0.274 1
1 169 . 19 1 1 A 14 14 GLU C C 11 176.002 174.615 1.387 1
1 170 . 19 1 1 A 15 15 THR N N 12 118.367 113.721 4.646 1
1 171 . 19 1 1 A 15 15 THR H H 12 8.407 7.626 0.781 1
1 172 . 19 1 1 A 15 15 THR CA C 12 59.646 60.064 -0.418 1
1 173 . 19 1 1 A 15 15 THR HA H 12 4.503 4.575 -0.072 1
1 174 . 19 1 1 A 15 15 THR CB C 12 69.084 68.804 0.280 1
1 181 . 19 1 1 A 16 16 PRO CA C 13 62.791 63.006 -0.215 1
1 182 . 19 1 1 A 16 16 PRO HA H 13 4.408 4.573 -0.165 1
1 183 . 19 1 1 A 16 16 PRO CB C 13 31.771 33.456 -1.685 1
1 191 . 19 1 1 A 16 16 PRO C C 13 176.689 176.309 0.380 1
1 192 . 19 1 1 A 17 17 GLY N N 14 109.540 108.881 0.659 1
1 193 . 19 1 1 A 17 17 GLY H H 14 8.423 8.113 0.310 1
1 194 . 19 1 1 A 17 17 GLY CA C 14 44.219 45.803 -1.584 1
1 195 . 19 1 1 A 17 17 GLY HA2 H 14 4.010 4.230 -0.220 1
1 196 . 19 1 1 A 17 17 GLY HA3 H 14 4.159 4.232 -0.073 1
1 198 . 19 1 1 A 18 18 PRO CA C 15 62.843 62.526 0.317 1
1 199 . 19 1 1 A 18 18 PRO HA H 15 4.412 4.671 -0.259 1
1 200 . 19 1 1 A 18 18 PRO CB C 15 31.667 33.453 -1.786 1
1 208 . 19 1 1 A 18 18 PRO C C 15 176.447 176.036 0.411 1
1 209 . 19 1 1 A 19 19 ASP N N 16 119.197 120.666 -1.469 1
1 210 . 19 1 1 A 19 19 ASP H H 16 8.517 8.877 -0.360 1
1 211 . 19 1 1 A 19 19 ASP CA C 16 53.940 54.016 -0.076 1
1 212 . 19 1 1 A 19 19 ASP HA H 16 4.559 4.932 -0.373 1
1 213 . 19 1 1 A 19 19 ASP CB C 16 40.180 41.646 -1.466 1
1 216 . 19 1 1 A 19 19 ASP C C 16 175.764 176.164 -0.400 1
1 217 . 19 1 1 A 20 20 ARG N N 17 120.435 120.391 0.044 1
1 218 . 19 1 1 A 20 20 ARG H H 17 8.201 7.952 0.249 1
1 219 . 19 1 1 A 20 20 ARG CA C 17 55.216 57.222 -2.006 1
1 220 . 19 1 1 A 20 20 ARG HA H 17 4.356 4.603 -0.247 1
1 221 . 19 1 1 A 20 20 ARG CB C 17 30.184 33.231 -3.047 1
1 237 . 19 1 1 A 20 20 ARG C C 17 175.724 175.644 0.080 1
1 238 . 19 1 1 A 21 21 GLU N N 18 122.477 119.942 2.535 1
1 239 . 19 1 1 A 21 21 GLU H H 18 8.371 7.863 0.508 1
1 240 . 19 1 1 A 21 21 GLU CA C 18 53.658 54.612 -0.954 1
1 241 . 19 1 1 A 21 21 GLU HA H 18 4.657 4.367 0.290 1
1 242 . 19 1 1 A 21 21 GLU CB C 18 28.984 30.827 -1.843 1
1 249 . 19 1 1 A 22 22 PRO CA C 19 62.442 62.715 -0.273 1
1 250 . 19 1 1 A 22 22 PRO HA H 19 4.516 4.750 -0.234 1
1 251 . 19 1 1 A 22 22 PRO CB C 19 31.903 32.721 -0.818 1
1 259 . 19 1 1 A 22 22 PRO C C 19 176.323 175.917 0.406 1
1 260 . 19 1 1 A 23 23 THR N N 20 112.531 115.360 -2.829 1
1 261 . 19 1 1 A 23 23 THR H H 20 7.946 8.513 -0.567 1
1 262 . 19 1 1 A 23 23 THR CA C 20 60.521 60.598 -0.077 1
1 263 . 19 1 1 A 23 23 THR HA H 20 4.373 4.754 -0.381 1
1 264 . 19 1 1 A 23 23 THR CB C 20 70.238 71.039 -0.801 1
1 270 . 19 1 1 A 23 23 THR C C 20 174.678 175.352 -0.674 1
1 271 . 19 1 1 A 24 24 ASN N N 21 120.631 124.449 -3.818 1
1 272 . 19 1 1 A 24 24 ASN H H 21 8.958 9.148 -0.190 1
1 273 . 19 1 1 A 24 24 ASN CA C 21 54.854 56.967 -2.113 1
1 274 . 19 1 1 A 24 24 ASN HA H 21 4.467 4.298 0.169 1
1 275 . 19 1 1 A 24 24 ASN CB C 21 37.535 38.844 -1.309 1
1 281 . 19 1 1 A 24 24 ASN C C 21 176.397 176.949 -0.552 1
1 282 . 19 1 1 A 25 25 GLU N N 22 120.237 119.264 0.973 1
1 283 . 19 1 1 A 25 25 GLU H H 22 8.644 8.250 0.394 1
1 284 . 19 1 1 A 25 25 GLU CA C 22 59.195 59.007 0.188 1
1 285 . 19 1 1 A 25 25 GLU HA H 22 4.076 4.147 -0.071 1
1 286 . 19 1 1 A 25 25 GLU CB C 22 28.567 29.538 -0.971 1
1 292 . 19 1 1 A 25 25 GLU C C 22 177.942 178.681 -0.739 1
1 293 . 19 1 1 A 26 26 LEU N N 23 122.376 121.297 1.079 1
1 294 . 19 1 1 A 26 26 LEU H H 23 8.109 8.141 -0.032 1
1 295 . 19 1 1 A 26 26 LEU CA C 23 56.940 58.143 -1.203 1
1 296 . 19 1 1 A 26 26 LEU HA H 23 4.247 4.009 0.238 1
1 297 . 19 1 1 A 26 26 LEU CB C 23 40.425 41.882 -1.457 1
1 310 . 19 1 1 A 26 26 LEU C C 23 178.298 178.343 -0.045 1
1 311 . 19 1 1 A 27 27 ARG N N 24 118.606 118.234 0.372 1
1 312 . 19 1 1 A 27 27 ARG H H 24 8.225 8.292 -0.067 1
1 313 . 19 1 1 A 27 27 ARG CA C 24 59.892 58.730 1.162 1
1 314 . 19 1 1 A 27 27 ARG HA H 24 3.875 4.056 -0.181 1
1 315 . 19 1 1 A 27 27 ARG CB C 24 28.853 29.699 -0.846 1
1 331 . 19 1 1 A 27 27 ARG C C 24 178.374 178.544 -0.170 1
1 332 . 19 1 1 A 28 28 ASN N N 25 117.812 118.751 -0.939 1
1 333 . 19 1 1 A 28 28 ASN H H 25 8.146 8.276 -0.130 1
1 334 . 19 1 1 A 28 28 ASN CA C 25 55.753 56.526 -0.773 1
1 335 . 19 1 1 A 28 28 ASN HA H 25 4.452 4.456 -0.004 1
1 336 . 19 1 1 A 28 28 ASN CB C 25 37.388 38.880 -1.492 1
1 342 . 19 1 1 A 28 28 ASN C C 25 177.043 177.805 -0.762 1
1 343 . 19 1 1 A 29 29 GLU N N 26 121.177 118.378 2.799 1
1 344 . 19 1 1 A 29 29 GLU H H 26 8.247 8.501 -0.254 1
1 345 . 19 1 1 A 29 29 GLU CA C 26 58.897 59.395 -0.498 1
1 346 . 19 1 1 A 29 29 GLU HA H 26 4.075 4.089 -0.014 1
1 347 . 19 1 1 A 29 29 GLU CB C 26 29.202 29.543 -0.341 1
1 353 . 19 1 1 A 29 29 GLU C C 26 180.215 179.672 0.543 1
1 354 . 19 1 1 A 30 30 VAL N N 27 123.509 121.393 2.116 1
1 355 . 19 1 1 A 30 30 VAL H H 27 8.793 7.991 0.802 1
1 356 . 19 1 1 A 30 30 VAL CA C 27 68.051 66.597 1.454 1
1 357 . 19 1 1 A 30 30 VAL HA H 27 3.413 3.477 -0.064 1
1 358 . 19 1 1 A 30 30 VAL CB C 27 31.196 31.801 -0.605 1
1 368 . 19 1 1 A 30 30 VAL C C 27 176.589 177.821 -1.232 1
1 369 . 19 1 1 A 31 31 GLU N N 28 119.159 118.550 0.609 1
1 370 . 19 1 1 A 31 31 GLU H H 28 8.042 8.530 -0.488 1
1 371 . 19 1 1 A 31 31 GLU CA C 28 59.379 59.839 -0.460 1
1 372 . 19 1 1 A 31 31 GLU HA H 28 3.946 3.951 -0.005 1
1 373 . 19 1 1 A 31 31 GLU CB C 28 28.603 29.260 -0.657 1
1 379 . 19 1 1 A 31 31 GLU C C 28 179.282 179.280 0.002 1
1 380 . 19 1 1 A 32 32 GLU N N 29 118.871 120.689 -1.818 1
1 381 . 19 1 1 A 32 32 GLU H H 29 8.550 8.155 0.395 1
1 382 . 19 1 1 A 32 32 GLU CA C 29 58.770 59.408 -0.638 1
1 383 . 19 1 1 A 32 32 GLU HA H 29 4.056 4.079 -0.023 1
1 384 . 19 1 1 A 32 32 GLU CB C 29 29.214 29.803 -0.589 1
1 390 . 19 1 1 A 32 32 GLU C C 29 178.791 179.324 -0.533 1
1 391 . 19 1 1 A 33 33 THR N N 30 117.719 117.163 0.556 1
1 392 . 19 1 1 A 33 33 THR H H 30 8.205 8.283 -0.078 1
1 393 . 19 1 1 A 33 33 THR CA C 30 67.465 67.073 0.392 1
1 394 . 19 1 1 A 33 33 THR HA H 30 3.816 3.924 -0.108 1
1 395 . 19 1 1 A 33 33 THR CB C 30 66.888 68.132 -1.244 1
1 401 . 19 1 1 A 33 33 THR C C 30 175.681 176.903 -1.222 1
1 402 . 19 1 1 A 34 34 ILE N N 31 123.925 121.768 2.157 1
1 403 . 19 1 1 A 34 34 ILE H H 31 8.698 8.043 0.655 1
1 404 . 19 1 1 A 34 34 ILE CA C 31 66.438 64.627 1.811 1
1 405 . 19 1 1 A 34 34 ILE HA H 31 3.442 3.711 -0.269 1
1 406 . 19 1 1 A 34 34 ILE CB C 31 37.311 37.475 -0.164 1
1 416 . 19 1 1 A 34 34 ILE C C 31 176.731 178.096 -1.365 1
1 417 . 19 1 1 A 35 35 THR N N 32 116.478 118.583 -2.105 1
1 418 . 19 1 1 A 35 35 THR H H 32 7.956 8.091 -0.135 1
1 419 . 19 1 1 A 35 35 THR CA C 32 66.447 67.194 -0.747 1
1 420 . 19 1 1 A 35 35 THR HA H 32 3.929 3.910 0.019 1
1 421 . 19 1 1 A 35 35 THR CB C 32 67.964 68.078 -0.114 1
1 427 . 19 1 1 A 35 35 THR C C 32 176.226 176.661 -0.435 1
1 428 . 19 1 1 A 36 36 LEU N N 33 119.834 120.214 -0.380 1
1 429 . 19 1 1 A 36 36 LEU H H 33 7.663 8.251 -0.588 1
1 430 . 19 1 1 A 36 36 LEU CA C 33 57.274 57.854 -0.580 1
1 431 . 19 1 1 A 36 36 LEU HA H 33 4.075 4.051 0.024 1
1 432 . 19 1 1 A 36 36 LEU CB C 33 42.188 41.263 0.925 1
1 445 . 19 1 1 A 36 36 LEU C C 33 179.412 179.892 -0.480 1
1 446 . 19 1 1 A 37 37 MET N N 34 119.993 117.858 2.135 1
1 447 . 19 1 1 A 37 37 MET H H 34 8.509 8.508 0.001 1
1 448 . 19 1 1 A 37 37 MET CA C 34 57.865 57.901 -0.036 1
1 449 . 19 1 1 A 37 37 MET HA H 34 3.865 4.187 -0.322 1
1 450 . 19 1 1 A 37 37 MET CB C 34 28.735 32.244 -3.509 1
1 460 . 19 1 1 A 37 37 MET C C 34 178.772 178.143 0.629 1
1 461 . 19 1 1 A 38 38 GLU N N 35 120.011 120.655 -0.644 1
1 462 . 19 1 1 A 38 38 GLU H H 35 8.321 8.252 0.069 1
1 463 . 19 1 1 A 38 38 GLU CA C 35 58.442 58.754 -0.312 1
1 464 . 19 1 1 A 38 38 GLU HA H 35 3.928 4.065 -0.137 1
1 465 . 19 1 1 A 38 38 GLU CB C 35 28.943 29.606 -0.663 1
1 471 . 19 1 1 A 38 38 GLU C C 35 176.040 177.729 -1.689 1
1 472 . 19 1 1 A 39 39 LEU N N 36 118.349 117.648 0.701 1
1 473 . 19 1 1 A 39 39 LEU H H 36 7.441 7.256 0.185 1
1 474 . 19 1 1 A 39 39 LEU CA C 36 54.614 54.169 0.445 1
1 475 . 19 1 1 A 39 39 LEU HA H 36 4.393 4.481 -0.088 1
1 476 . 19 1 1 A 39 39 LEU CB C 36 42.210 41.208 1.002 1
1 489 . 19 1 1 A 39 39 LEU C C 36 178.113 176.704 1.409 1
1 490 . 19 1 1 A 40 40 LEU N N 37 118.362 122.047 -3.685 1
1 491 . 19 1 1 A 40 40 LEU H H 37 7.464 7.421 0.043 1
1 492 . 19 1 1 A 40 40 LEU CA C 37 54.659 55.885 -1.226 1
1 493 . 19 1 1 A 40 40 LEU HA H 37 4.400 4.230 0.170 1
1 494 . 19 1 1 A 40 40 LEU CB C 37 40.993 42.363 -1.370 1
1 507 . 19 1 1 A 40 40 LEU C C 37 177.827 176.705 1.122 1
1 508 . 19 1 1 A 41 41 LYS N N 38 120.851 123.019 -2.168 1
1 509 . 19 1 1 A 41 41 LYS H H 38 9.254 8.848 0.406 1
1 510 . 19 1 1 A 41 41 LYS CA C 38 54.727 54.389 0.338 1
1 511 . 19 1 1 A 41 41 LYS HA H 38 4.572 4.630 -0.058 1
1 512 . 19 1 1 A 41 41 LYS CB C 38 33.768 35.073 -1.305 1
1 524 . 19 1 1 A 41 41 LYS C C 38 177.911 177.749 0.162 1
1 525 . 19 1 1 A 42 42 VAL N N 39 122.215 122.233 -0.018 1
1 526 . 19 1 1 A 42 42 VAL H H 39 9.039 8.659 0.380 1
1 527 . 19 1 1 A 42 42 VAL CA C 39 67.408 65.362 2.046 1
1 528 . 19 1 1 A 42 42 VAL HA H 39 3.699 3.701 -0.002 1
1 529 . 19 1 1 A 42 42 VAL CB C 39 31.056 31.611 -0.555 1
1 539 . 19 1 1 A 42 42 VAL C C 39 176.560 178.254 -1.694 1
1 540 . 19 1 1 A 43 43 SER N N 40 114.377 116.694 -2.317 1
1 541 . 19 1 1 A 43 43 SER H H 40 8.686 8.189 0.497 1
1 542 . 19 1 1 A 43 43 SER CA C 40 61.144 61.521 -0.377 1
1 543 . 19 1 1 A 43 43 SER HA H 40 3.933 4.130 -0.197 1
1 544 . 19 1 1 A 43 43 SER CB C 40 60.933 62.698 -1.765 1
1 547 . 19 1 1 A 43 43 SER C C 40 175.910 177.068 -1.158 1
1 548 . 19 1 1 A 44 44 GLU N N 41 122.833 121.428 1.405 1
1 549 . 19 1 1 A 44 44 GLU H H 41 6.661 7.892 -1.231 1
1 550 . 19 1 1 A 44 44 GLU CA C 41 57.315 59.165 -1.850 1
1 551 . 19 1 1 A 44 44 GLU HA H 41 4.363 4.072 0.291 1
1 552 . 19 1 1 A 44 44 GLU CB C 41 30.399 29.325 1.074 1
1 558 . 19 1 1 A 44 44 GLU C C 41 178.185 179.351 -1.166 1
1 559 . 19 1 1 A 45 45 LEU N N 42 119.110 120.439 -1.329 1
1 560 . 19 1 1 A 45 45 LEU H H 42 8.393 8.623 -0.230 1
1 561 . 19 1 1 A 45 45 LEU CA C 42 57.359 57.730 -0.371 1
1 562 . 19 1 1 A 45 45 LEU HA H 42 3.918 3.888 0.030 1
1 563 . 19 1 1 A 45 45 LEU CB C 42 42.476 41.478 0.998 1
1 576 . 19 1 1 A 45 45 LEU C C 42 179.735 179.428 0.307 1
1 577 . 19 1 1 A 46 46 LYS N N 43 118.025 117.663 0.362 1
1 578 . 19 1 1 A 46 46 LYS H H 43 8.596 8.155 0.441 1
1 579 . 19 1 1 A 46 46 LYS CA C 43 60.844 60.278 0.566 1
1 580 . 19 1 1 A 46 46 LYS HA H 43 3.816 3.915 -0.099 1
1 581 . 19 1 1 A 46 46 LYS CB C 43 31.918 32.087 -0.169 1
1 593 . 19 1 1 A 46 46 LYS C C 43 177.672 179.394 -1.722 1
1 594 . 19 1 1 A 47 47 ASP N N 44 119.267 119.494 -0.227 1
1 595 . 19 1 1 A 47 47 ASP H H 44 7.448 8.136 -0.688 1
1 596 . 19 1 1 A 47 47 ASP CA C 44 57.422 57.381 0.041 1
1 597 . 19 1 1 A 47 47 ASP HA H 44 4.555 4.363 0.192 1
1 598 . 19 1 1 A 47 47 ASP CB C 44 39.264 41.171 -1.907 1
1 601 . 19 1 1 A 47 47 ASP C C 44 179.284 178.671 0.613 1
1 602 . 19 1 1 A 48 48 ILE N N 45 120.817 119.230 1.587 1
1 603 . 19 1 1 A 48 48 ILE H H 45 7.871 8.030 -0.159 1
1 604 . 19 1 1 A 48 48 ILE CA C 45 64.604 65.308 -0.704 1
1 605 . 19 1 1 A 48 48 ILE HA H 45 3.653 3.566 0.087 1
1 606 . 19 1 1 A 48 48 ILE CB C 45 36.293 37.925 -1.632 1
1 619 . 19 1 1 A 48 48 ILE C C 45 177.180 177.554 -0.374 1
1 620 . 19 1 1 A 49 49 CYS N N 46 117.775 119.484 -1.709 1
1 621 . 19 1 1 A 49 49 CYS H H 46 8.543 8.304 0.239 1
1 622 . 19 1 1 A 49 49 CYS CA C 46 64.971 63.596 1.375 1
1 623 . 19 1 1 A 49 49 CYS HA H 46 3.852 3.918 -0.066 1
1 624 . 19 1 1 A 49 49 CYS CB C 46 25.872 26.727 -0.855 1
1 627 . 19 1 1 A 49 49 CYS C C 46 176.288 177.098 -0.810 1
1 628 . 19 1 1 A 50 50 ARG N N 47 118.702 121.269 -2.567 1
1 629 . 19 1 1 A 50 50 ARG H H 47 8.626 7.952 0.674 1
1 630 . 19 1 1 A 50 50 ARG CA C 47 58.983 58.723 0.260 1
1 631 . 19 1 1 A 50 50 ARG HA H 47 4.058 4.134 -0.076 1
1 632 . 19 1 1 A 50 50 ARG CB C 47 29.512 29.642 -0.130 1
1 648 . 19 1 1 A 50 50 ARG C C 47 179.270 178.277 0.993 1
1 649 . 19 1 1 A 51 51 SER N N 48 114.502 115.319 -0.817 1
1 650 . 19 1 1 A 51 51 SER H H 48 7.514 7.829 -0.315 1
1 651 . 19 1 1 A 51 51 SER CA C 48 61.745 61.569 0.176 1
1 652 . 19 1 1 A 51 51 SER HA H 48 4.308 4.262 0.046 1
1 653 . 19 1 1 A 51 51 SER CB C 48 62.780 63.047 -0.267 1
1 656 . 19 1 1 A 51 51 SER C C 48 176.764 176.477 0.287 1
1 657 . 19 1 1 A 52 52 VAL N N 49 113.832 119.688 -5.856 1
1 658 . 19 1 1 A 52 52 VAL H H 49 7.511 7.988 -0.477 1
1 659 . 19 1 1 A 52 52 VAL CA C 49 60.751 62.054 -1.303 1
1 660 . 19 1 1 A 52 52 VAL HA H 49 3.760 3.599 0.161 1
1 661 . 19 1 1 A 52 52 VAL CB C 49 30.719 31.354 -0.635 1
1 671 . 19 1 1 A 52 52 VAL C C 49 173.462 174.989 -1.527 1
1 672 . 19 1 1 A 53 53 SER N N 50 112.698 115.054 -2.356 1
1 673 . 19 1 1 A 53 53 SER H H 50 7.653 8.009 -0.356 1
1 674 . 19 1 1 A 53 53 SER CA C 50 59.025 59.797 -0.772 1
1 675 . 19 1 1 A 53 53 SER HA H 50 3.911 4.119 -0.208 1
1 676 . 19 1 1 A 53 53 SER CB C 50 60.895 61.129 -0.234 1
1 679 . 19 1 1 A 53 53 SER C C 50 174.065 173.337 0.728 1
1 680 . 19 1 1 A 54 54 PHE N N 51 120.132 120.340 -0.208 1
1 681 . 19 1 1 A 54 54 PHE H H 51 8.332 7.923 0.409 1
1 682 . 19 1 1 A 54 54 PHE CA C 51 51.743 56.548 -4.805 1
1 683 . 19 1 1 A 54 54 PHE HA H 51 5.171 4.500 0.671 1
1 684 . 19 1 1 A 54 54 PHE CB C 51 37.762 39.001 -1.239 1
1 696 . 19 1 1 A 55 55 PRO CA C 52 62.176 62.649 -0.473 1
1 697 . 19 1 1 A 55 55 PRO HA H 52 4.417 4.660 -0.243 1
1 698 . 19 1 1 A 55 55 PRO CB C 52 31.347 31.634 -0.287 1
1 706 . 19 1 1 A 55 55 PRO C C 52 176.296 177.028 -0.732 1
1 707 . 19 1 1 A 56 56 VAL N N 53 109.933 125.373 -15.440 1
1 708 . 19 1 1 A 56 56 VAL H H 53 7.986 8.740 -0.754 1
1 709 . 19 1 1 A 56 56 VAL CA C 53 59.863 62.231 -2.368 1
1 710 . 19 1 1 A 56 56 VAL HA H 53 4.404 4.374 0.030 1
1 711 . 19 1 1 A 56 56 VAL CB C 53 31.483 32.265 -0.782 1
1 721 . 19 1 1 A 56 56 VAL C C 53 175.074 175.972 -0.898 1
1 722 . 19 1 1 A 57 57 SER N N 54 114.614 117.475 -2.861 1
1 723 . 19 1 1 A 57 57 SER H H 54 7.304 7.844 -0.540 1
1 724 . 19 1 1 A 57 57 SER CA C 54 57.295 57.724 -0.429 1
1 725 . 19 1 1 A 57 57 SER HA H 54 4.363 4.703 -0.340 1
1 726 . 19 1 1 A 57 57 SER CB C 54 63.351 63.361 -0.010 1
1 729 . 19 1 1 A 57 57 SER C C 54 174.225 174.409 -0.184 1
1 730 . 19 1 1 A 58 58 GLY N N 55 110.300 109.949 0.351 1
1 731 . 19 1 1 A 58 58 GLY H H 55 8.545 8.063 0.482 1
1 732 . 19 1 1 A 58 58 GLY CA C 55 43.806 46.342 -2.536 1
1 733 . 19 1 1 A 58 58 GLY HA2 H 55 4.009 3.892 0.117 1
1 734 . 19 1 1 A 58 58 GLY HA3 H 55 3.715 3.894 -0.179 1
1 735 . 19 1 1 A 58 58 GLY C C 55 172.483 174.149 -1.666 1
1 736 . 19 1 1 A 59 59 ARG N N 56 116.392 118.304 -1.912 1
1 737 . 19 1 1 A 59 59 ARG H H 56 7.913 7.613 0.300 1
1 738 . 19 1 1 A 59 59 ARG CA C 56 54.769 55.505 -0.736 1
1 739 . 19 1 1 A 59 59 ARG HA H 56 4.371 4.661 -0.290 1
1 740 . 19 1 1 A 59 59 ARG CB C 56 30.447 33.763 -3.316 1
1 752 . 19 1 1 A 59 59 ARG C C 56 176.019 175.720 0.299 1
1 753 . 19 1 1 A 60 60 LYS N N 57 122.009 123.832 -1.823 1
1 754 . 19 1 1 A 60 60 LYS H H 57 8.811 8.763 0.048 1
1 755 . 19 1 1 A 60 60 LYS CA C 57 61.236 59.168 2.068 1
1 756 . 19 1 1 A 60 60 LYS HA H 57 3.606 4.009 -0.403 1
1 757 . 19 1 1 A 60 60 LYS CB C 57 32.419 31.938 0.481 1
1 769 . 19 1 1 A 60 60 LYS C C 57 176.824 178.071 -1.247 1
1 770 . 19 1 1 A 61 61 ALA N N 58 116.880 121.915 -5.035 1
1 771 . 19 1 1 A 61 61 ALA H H 58 8.794 7.939 0.855 1
1 772 . 19 1 1 A 61 61 ALA CA C 58 54.617 55.266 -0.649 1
1 773 . 19 1 1 A 61 61 ALA HA H 58 4.129 4.281 -0.152 1
1 777 . 19 1 1 A 61 61 ALA CB C 58 18.103 18.215 -0.112 1
1 778 . 19 1 1 A 61 61 ALA C C 58 179.574 180.475 -0.901 1
1 779 . 19 1 1 A 62 62 VAL N N 59 117.408 118.508 -1.100 1
1 780 . 19 1 1 A 62 62 VAL H H 59 7.047 7.900 -0.853 1
1 781 . 19 1 1 A 62 62 VAL CA C 59 64.864 66.955 -2.091 1
1 782 . 19 1 1 A 62 62 VAL HA H 59 3.701 3.514 0.187 1
1 783 . 19 1 1 A 62 62 VAL CB C 59 31.301 31.628 -0.327 1
1 793 . 19 1 1 A 62 62 VAL C C 59 178.103 178.109 -0.006 1
1 794 . 19 1 1 A 63 63 LEU N N 60 119.573 119.115 0.458 1
1 795 . 19 1 1 A 63 63 LEU H H 60 7.585 8.416 -0.831 1
1 796 . 19 1 1 A 63 63 LEU CA C 60 57.571 58.292 -0.721 1
1 797 . 19 1 1 A 63 63 LEU HA H 60 3.923 3.850 0.073 1
1 798 . 19 1 1 A 63 63 LEU CB C 60 41.711 41.575 0.136 1
1 810 . 19 1 1 A 63 63 LEU C C 60 178.692 178.963 -0.271 1
1 811 . 19 1 1 A 64 64 GLN N N 61 114.206 117.269 -3.063 1
1 812 . 19 1 1 A 64 64 GLN H H 61 8.373 8.648 -0.275 1
1 813 . 19 1 1 A 64 64 GLN CA C 61 58.039 58.427 -0.388 1
1 814 . 19 1 1 A 64 64 GLN HA H 61 4.090 3.996 0.094 1
1 815 . 19 1 1 A 64 64 GLN CB C 61 28.670 28.541 0.129 1
1 821 . 19 1 1 A 64 64 GLN C C 61 178.207 177.370 0.837 1
1 822 . 19 1 1 A 65 65 ASP N N 62 118.671 120.369 -1.698 1
1 823 . 19 1 1 A 65 65 ASP H H 62 7.973 7.891 0.082 1
1 824 . 19 1 1 A 65 65 ASP CA C 62 56.961 57.396 -0.435 1
1 825 . 19 1 1 A 65 65 ASP HA H 62 4.353 4.467 -0.114 1
1 826 . 19 1 1 A 65 65 ASP CB C 62 39.856 40.428 -0.572 1
1 829 . 19 1 1 A 65 65 ASP C C 62 178.113 179.014 -0.901 1
1 830 . 19 1 1 A 66 66 LEU N N 63 119.708 120.810 -1.102 1
1 831 . 19 1 1 A 66 66 LEU H H 63 7.970 8.097 -0.127 1
1 832 . 19 1 1 A 66 66 LEU CA C 63 57.549 57.983 -0.434 1
1 833 . 19 1 1 A 66 66 LEU HA H 63 3.838 4.043 -0.205 1
1 834 . 19 1 1 A 66 66 LEU CB C 63 41.235 41.905 -0.670 1
1 847 . 19 1 1 A 66 66 LEU C C 63 180.041 178.961 1.080 1
1 848 . 19 1 1 A 67 67 ILE N N 64 118.309 119.112 -0.803 1
1 849 . 19 1 1 A 67 67 ILE H H 64 7.555 7.998 -0.443 1
1 850 . 19 1 1 A 67 67 ILE CA C 64 63.895 65.333 -1.438 1
1 851 . 19 1 1 A 67 67 ILE HA H 64 3.794 3.282 0.512 1
1 852 . 19 1 1 A 67 67 ILE CB C 64 37.181 37.700 -0.519 1
1 865 . 19 1 1 A 67 67 ILE C C 64 176.949 178.082 -1.133 1
1 866 . 19 1 1 A 68 68 ARG N N 65 122.359 120.454 1.905 1
1 867 . 19 1 1 A 68 68 ARG H H 65 9.489 8.227 1.262 1
1 868 . 19 1 1 A 68 68 ARG CA C 65 60.488 60.025 0.463 1
1 869 . 19 1 1 A 68 68 ARG HA H 65 3.692 3.869 -0.177 1
1 870 . 19 1 1 A 68 68 ARG CB C 65 29.897 30.244 -0.347 1
1 880 . 19 1 1 A 68 68 ARG C C 65 177.728 179.159 -1.431 1
1 881 . 19 1 1 A 69 69 ASN N N 66 116.248 116.922 -0.674 1
1 882 . 19 1 1 A 69 69 ASN H H 66 8.546 8.445 0.101 1
1 883 . 19 1 1 A 69 69 ASN CA C 66 55.945 56.226 -0.281 1
1 884 . 19 1 1 A 69 69 ASN HA H 66 4.391 4.473 -0.082 1
1 885 . 19 1 1 A 69 69 ASN CB C 66 37.828 38.009 -0.181 1
1 891 . 19 1 1 A 69 69 ASN C C 66 176.520 178.663 -2.143 1
1 892 . 19 1 1 A 70 70 PHE N N 67 121.134 119.025 2.109 1
1 893 . 19 1 1 A 70 70 PHE H H 67 7.693 8.271 -0.578 1
1 894 . 19 1 1 A 70 70 PHE CA C 67 60.170 60.864 -0.694 1
1 895 . 19 1 1 A 70 70 PHE HA H 67 4.535 4.282 0.253 1
1 896 . 19 1 1 A 70 70 PHE CB C 67 39.838 38.931 0.907 1
1 902 . 19 1 1 A 70 70 PHE C C 67 177.756 178.322 -0.566 1
1 903 . 19 1 1 A 71 71 LEU N N 68 117.959 119.463 -1.504 1
1 904 . 19 1 1 A 71 71 LEU H H 68 8.336 8.638 -0.302 1
1 905 . 19 1 1 A 71 71 LEU CA C 68 57.468 57.961 -0.493 1
1 906 . 19 1 1 A 71 71 LEU HA H 68 3.828 3.873 -0.045 1
1 907 . 19 1 1 A 71 71 LEU CB C 68 42.156 41.587 0.569 1
1 919 . 19 1 1 A 71 71 LEU C C 68 178.037 179.089 -1.052 1
1 920 . 19 1 1 A 72 72 GLN N N 69 117.479 117.940 -0.461 1
1 921 . 19 1 1 A 72 72 GLN H H 69 8.802 8.222 0.580 1
1 922 . 19 1 1 A 72 72 GLN CA C 69 58.632 59.265 -0.633 1
1 923 . 19 1 1 A 72 72 GLN HA H 69 3.906 4.092 -0.186 1
1 924 . 19 1 1 A 72 72 GLN CB C 69 27.010 27.796 -0.786 1
1 933 . 19 1 1 A 72 72 GLN C C 69 179.337 178.785 0.552 1
1 934 . 19 1 1 A 73 73 ASN N N 70 117.551 117.843 -0.292 1
1 935 . 19 1 1 A 73 73 ASN H H 70 8.124 8.193 -0.069 1
1 936 . 19 1 1 A 73 73 ASN CA C 70 54.051 56.230 -2.179 1
1 937 . 19 1 1 A 73 73 ASN HA H 70 4.602 4.485 0.117 1
1 938 . 19 1 1 A 73 73 ASN CB C 70 37.810 37.995 -0.185 1
1 944 . 19 1 1 A 73 73 ASN C C 70 175.490 177.641 -2.151 1
1 945 . 19 1 1 A 74 74 ALA N N 71 120.962 120.396 0.566 1
1 946 . 19 1 1 A 74 74 ALA H H 71 7.787 7.892 -0.105 1
1 947 . 19 1 1 A 74 74 ALA CA C 71 53.143 54.158 -1.015 1
1 948 . 19 1 1 A 74 74 ALA HA H 71 4.193 4.124 0.069 1
1 952 . 19 1 1 A 74 74 ALA CB C 71 19.064 18.454 0.610 1
1 953 . 19 1 1 A 74 74 ALA C C 71 176.255 178.461 -2.206 1
1 954 . 19 1 1 A 75 75 LEU N N 72 112.822 114.738 -1.916 1
1 955 . 19 1 1 A 75 75 LEU H H 72 7.381 7.353 0.028 1
1 956 . 19 1 1 A 75 75 LEU CA C 72 52.987 54.253 -1.266 1
1 957 . 19 1 1 A 75 75 LEU HA H 72 4.305 4.486 -0.181 1
1 958 . 19 1 1 A 75 75 LEU CB C 72 41.490 41.940 -0.450 1
1 971 . 19 1 1 A 75 75 LEU C C 72 175.867 175.854 0.013 1
1 972 . 19 1 1 A 76 76 VAL N N 73 120.671 120.968 -0.297 1
1 973 . 19 1 1 A 76 76 VAL H H 73 6.797 6.953 -0.156 1
1 974 . 19 1 1 A 76 76 VAL CA C 73 62.994 61.848 1.146 1
1 975 . 19 1 1 A 76 76 VAL HA H 73 3.707 4.013 -0.306 1
1 976 . 19 1 1 A 76 76 VAL CB C 73 32.014 32.389 -0.375 1
1 986 . 19 1 1 A 76 76 VAL C C 73 176.144 176.227 -0.083 1
1 987 . 19 1 1 A 77 77 VAL N N 74 128.303 125.573 2.730 1
1 988 . 19 1 1 A 77 77 VAL H H 74 8.407 8.599 -0.192 1
1 989 . 19 1 1 A 77 77 VAL CA C 74 64.673 65.379 -0.706 1
1 990 . 19 1 1 A 77 77 VAL HA H 74 3.651 3.536 0.115 1
1 991 . 19 1 1 A 77 77 VAL CB C 74 30.789 31.456 -0.667 1
1 1001 . 19 1 1 A 77 77 VAL C C 74 176.911 177.461 -0.550 1
1 1002 . 19 1 1 A 78 78 GLY N N 75 116.087 114.883 1.204 1
1 1003 . 19 1 1 A 78 78 GLY H H 75 8.827 8.975 -0.148 1
1 1004 . 19 1 1 A 78 78 GLY CA C 75 45.004 46.399 -1.395 1
1 1005 . 19 1 1 A 78 78 GLY HA2 H 75 4.236 3.888 0.348 1
1 1006 . 19 1 1 A 78 78 GLY HA3 H 75 3.738 3.890 -0.152 1
1 1007 . 19 1 1 A 78 78 GLY C C 75 173.779 174.430 -0.651 1
1 1008 . 19 1 1 A 79 79 LYS N N 76 121.612 120.360 1.252 1
1 1009 . 19 1 1 A 79 79 LYS H H 76 8.140 7.552 0.588 1
1 1010 . 19 1 1 A 79 79 LYS CA C 76 54.078 55.482 -1.404 1
1 1011 . 19 1 1 A 79 79 LYS HA H 76 4.588 4.490 0.098 1
1 1012 . 19 1 1 A 79 79 LYS CB C 76 32.708 33.113 -0.405 1
1 1024 . 19 1 1 A 79 79 LYS C C 76 175.177 175.617 -0.440 1
1 1025 . 19 1 1 A 80 80 SER N N 77 117.166 117.307 -0.141 1
1 1026 . 19 1 1 A 80 80 SER H H 77 8.241 7.650 0.591 1
1 1027 . 19 1 1 A 80 80 SER CA C 77 59.173 60.776 -1.603 1
1 1028 . 19 1 1 A 80 80 SER HA H 77 4.356 4.378 -0.022 1
1 1029 . 19 1 1 A 80 80 SER CB C 77 63.288 63.798 -0.510 1
1 1032 . 19 1 1 A 80 80 SER C C 77 174.793 173.777 1.016 1
1 1033 . 19 1 1 A 81 81 ASP N N 78 118.775 126.586 -7.811 1
1 1034 . 19 1 1 A 81 81 ASP H H 78 8.506 8.488 0.018 1
1 1035 . 19 1 1 A 81 81 ASP CA C 78 50.069 51.385 -1.316 1
1 1036 . 19 1 1 A 81 81 ASP HA H 78 5.423 5.407 0.016 1
1 1037 . 19 1 1 A 81 81 ASP CB C 78 41.498 41.743 -0.245 1
1 1041 . 19 1 1 A 82 82 PRO CA C 79 63.656 64.441 -0.785 1
1 1042 . 19 1 1 A 82 82 PRO HA H 79 4.271 4.403 -0.132 1
1 1043 . 19 1 1 A 82 82 PRO CB C 79 31.303 31.869 -0.566 1
1 1051 . 19 1 1 A 82 82 PRO C C 79 178.645 177.298 1.347 1
1 1052 . 19 1 1 A 83 83 TYR N N 80 117.360 119.417 -2.057 1
1 1053 . 19 1 1 A 83 83 TYR H H 80 7.561 7.875 -0.314 1
1 1054 . 19 1 1 A 83 83 TYR CA C 80 59.635 61.989 -2.354 1
1 1055 . 19 1 1 A 83 83 TYR HA H 80 4.163 4.128 0.035 1
1 1056 . 19 1 1 A 83 83 TYR CB C 80 35.602 38.887 -3.285 1
1 1065 . 19 1 1 A 83 83 TYR C C 80 176.904 177.306 -0.402 1
1 1066 . 19 1 1 A 84 84 ARG N N 81 120.833 118.324 2.509 1
1 1067 . 19 1 1 A 84 84 ARG H H 81 7.898 8.187 -0.289 1
1 1068 . 19 1 1 A 84 84 ARG CA C 81 58.332 58.893 -0.561 1
1 1069 . 19 1 1 A 84 84 ARG HA H 81 4.615 3.675 0.940 1
1 1070 . 19 1 1 A 84 84 ARG CB C 81 28.242 29.623 -1.381 1
1 1071 . 19 1 1 A 84 84 ARG C C 81 176.940 178.998 -2.058 1
1 1072 . 19 1 1 A 85 85 VAL N N 82 117.345 120.179 -2.834 1
1 1073 . 19 1 1 A 85 85 VAL H H 82 6.971 8.081 -1.110 1
1 1074 . 19 1 1 A 85 85 VAL CA C 82 65.663 66.650 -0.987 1
1 1075 . 19 1 1 A 85 85 VAL HA H 82 3.417 3.492 -0.075 1
1 1076 . 19 1 1 A 85 85 VAL CB C 82 31.165 31.584 -0.419 1
1 1085 . 19 1 1 A 85 85 VAL C C 82 176.601 177.805 -1.204 1
1 1086 . 19 1 1 A 86 86 GLN N N 83 117.137 119.421 -2.284 1
1 1087 . 19 1 1 A 86 86 GLN H H 83 7.536 8.396 -0.860 1
1 1088 . 19 1 1 A 86 86 GLN CA C 83 58.230 58.645 -0.415 1
1 1089 . 19 1 1 A 86 86 GLN HA H 83 3.953 4.119 -0.166 1
1 1090 . 19 1 1 A 86 86 GLN CB C 83 28.240 27.956 0.284 1
1 1099 . 19 1 1 A 86 86 GLN C C 83 178.602 178.196 0.406 1
1 1100 . 19 1 1 A 87 87 ALA N N 84 121.452 122.256 -0.804 1
1 1101 . 19 1 1 A 87 87 ALA H H 84 8.843 7.842 1.001 1
1 1102 . 19 1 1 A 87 87 ALA CA C 84 54.905 55.078 -0.173 1
1 1103 . 19 1 1 A 87 87 ALA HA H 84 4.048 4.123 -0.075 1
1 1107 . 19 1 1 A 87 87 ALA CB C 84 18.088 18.283 -0.195 1
1 1108 . 19 1 1 A 87 87 ALA C C 84 178.498 179.724 -1.226 1
1 1109 . 19 1 1 A 88 88 VAL N N 85 117.570 118.360 -0.790 1
1 1110 . 19 1 1 A 88 88 VAL H H 85 8.515 8.432 0.083 1
1 1111 . 19 1 1 A 88 88 VAL CA C 85 67.315 66.379 0.936 1
1 1112 . 19 1 1 A 88 88 VAL HA H 85 3.764 3.395 0.369 1
1 1113 . 19 1 1 A 88 88 VAL CB C 85 30.610 31.549 -0.939 1
1 1123 . 19 1 1 A 88 88 VAL C C 85 177.138 177.787 -0.649 1
1 1124 . 19 1 1 A 89 89 LYS N N 86 120.005 120.732 -0.727 1
1 1125 . 19 1 1 A 89 89 LYS H H 86 8.612 8.335 0.277 1
1 1126 . 19 1 1 A 89 89 LYS CA C 86 60.851 59.429 1.422 1
1 1127 . 19 1 1 A 89 89 LYS HA H 86 3.827 3.961 -0.134 1
1 1128 . 19 1 1 A 89 89 LYS CB C 86 31.974 32.102 -0.128 1
1 1140 . 19 1 1 A 89 89 LYS C C 86 178.096 178.666 -0.570 1
1 1141 . 19 1 1 A 90 90 PHE N N 87 119.839 120.530 -0.691 1
1 1142 . 19 1 1 A 90 90 PHE H H 87 8.184 7.938 0.246 1
1 1143 . 19 1 1 A 90 90 PHE CA C 87 60.604 61.273 -0.669 1
1 1144 . 19 1 1 A 90 90 PHE HA H 87 4.302 4.240 0.062 1
1 1145 . 19 1 1 A 90 90 PHE CB C 87 38.349 39.308 -0.959 1
1 1154 . 19 1 1 A 90 90 PHE C C 87 177.748 177.597 0.151 1
1 1155 . 19 1 1 A 91 91 LEU N N 88 118.977 119.635 -0.658 1
1 1156 . 19 1 1 A 91 91 LEU H H 88 8.604 8.573 0.031 1
1 1157 . 19 1 1 A 91 91 LEU CA C 88 58.058 58.524 -0.466 1
1 1158 . 19 1 1 A 91 91 LEU HA H 88 3.975 3.876 0.099 1
1 1159 . 19 1 1 A 91 91 LEU CB C 88 41.114 42.091 -0.977 1
1 1169 . 19 1 1 A 91 91 LEU C C 88 178.106 179.123 -1.017 1
1 1170 . 19 1 1 A 92 92 ILE N N 89 118.378 118.638 -0.260 1
1 1171 . 19 1 1 A 92 92 ILE H H 89 8.420 8.612 -0.192 1
1 1172 . 19 1 1 A 92 92 ILE CA C 89 65.761 65.490 0.271 1
1 1173 . 19 1 1 A 92 92 ILE HA H 89 3.542 3.491 0.051 1
1 1174 . 19 1 1 A 92 92 ILE CB C 89 37.372 37.785 -0.413 1
1 1184 . 19 1 1 A 92 92 ILE C C 89 176.952 178.248 -1.296 1
1 1185 . 19 1 1 A 93 93 GLU N N 90 120.262 120.451 -0.189 1
1 1186 . 19 1 1 A 93 93 GLU H H 90 8.133 8.056 0.077 1
1 1187 . 19 1 1 A 93 93 GLU CA C 90 58.766 59.838 -1.072 1
1 1188 . 19 1 1 A 93 93 GLU HA H 90 4.038 3.871 0.167 1
1 1189 . 19 1 1 A 93 93 GLU CB C 90 28.466 28.970 -0.504 1
1 1195 . 19 1 1 A 93 93 GLU C C 90 178.689 178.945 -0.256 1
1 1196 . 19 1 1 A 94 94 ARG N N 91 117.630 119.210 -1.580 1
1 1197 . 19 1 1 A 94 94 ARG H H 91 7.952 8.102 -0.150 1
1 1198 . 19 1 1 A 94 94 ARG CA C 91 58.343 58.749 -0.406 1
1 1199 . 19 1 1 A 94 94 ARG HA H 91 3.941 4.004 -0.063 1
1 1200 . 19 1 1 A 94 94 ARG CB C 91 29.048 30.006 -0.958 1
1 1215 . 19 1 1 A 94 94 ARG C C 91 178.875 178.676 0.199 1
1 1216 . 19 1 1 A 95 95 ILE N N 92 120.056 120.719 -0.663 1
1 1217 . 19 1 1 A 95 95 ILE H H 92 8.225 8.012 0.213 1
1 1218 . 19 1 1 A 95 95 ILE CA C 92 63.296 65.079 -1.783 1
1 1219 . 19 1 1 A 95 95 ILE HA H 92 3.972 3.657 0.315 1
1 1220 . 19 1 1 A 95 95 ILE CB C 92 36.921 37.709 -0.788 1
1 1233 . 19 1 1 A 95 95 ILE C C 92 180.242 178.381 1.861 1
1 1234 . 19 1 1 A 96 96 ARG N N 93 121.023 120.464 0.559 1
1 1235 . 19 1 1 A 96 96 ARG H H 93 8.259 8.524 -0.265 1
1 1236 . 19 1 1 A 96 96 ARG CA C 93 58.401 57.681 0.720 1
1 1237 . 19 1 1 A 96 96 ARG HA H 93 4.068 4.180 -0.112 1
1 1238 . 19 1 1 A 96 96 ARG CB C 93 29.474 28.881 0.593 1
1 1254 . 19 1 1 A 96 96 ARG C C 93 177.500 177.311 0.189 1
1 1255 . 19 1 1 A 97 97 LYS N N 94 116.750 119.585 -2.835 1
1 1256 . 19 1 1 A 97 97 LYS H H 94 7.527 7.601 -0.074 1
1 1257 . 19 1 1 A 97 97 LYS CA C 94 55.282 57.103 -1.821 1
1 1258 . 19 1 1 A 97 97 LYS HA H 94 4.274 4.419 -0.145 1
1 1259 . 19 1 1 A 97 97 LYS CB C 94 32.112 33.605 -1.493 1
1 1271 . 19 1 1 A 97 97 LYS C C 94 174.901 176.235 -1.334 1
1 1272 . 19 1 1 A 98 98 ASN N N 95 116.979 118.394 -1.415 1
1 1273 . 19 1 1 A 98 98 ASN H H 95 8.150 8.068 0.082 1
1 1274 . 19 1 1 A 98 98 ASN CA C 95 53.822 54.398 -0.576 1
1 1275 . 19 1 1 A 98 98 ASN HA H 95 4.370 4.248 0.122 1
1 1276 . 19 1 1 A 98 98 ASN CB C 95 36.674 37.258 -0.584 1
1 1282 . 19 1 1 A 98 98 ASN C C 95 173.779 174.171 -0.392 1
1 1283 . 19 1 1 A 99 99 GLU N N 96 118.529 118.824 -0.295 1
1 1284 . 19 1 1 A 99 99 GLU H H 96 8.236 8.047 0.189 1
1 1285 . 19 1 1 A 99 99 GLU CA C 96 52.891 54.252 -1.361 1
1 1286 . 19 1 1 A 99 99 GLU HA H 96 4.673 4.693 -0.020 1
1 1287 . 19 1 1 A 99 99 GLU CB C 96 30.358 29.023 1.335 1
1 1292 . 19 1 1 A 100 100 PRO CA C 97 62.037 62.776 -0.739 1
1 1293 . 19 1 1 A 100 100 PRO HA H 97 4.272 4.692 -0.420 1
1 1294 . 19 1 1 A 100 100 PRO CB C 97 31.609 31.645 -0.036 1
1 1302 . 19 1 1 A 100 100 PRO C C 97 176.184 176.940 -0.756 1
1 1303 . 19 1 1 A 101 101 LEU N N 98 122.794 124.357 -1.563 1
1 1304 . 19 1 1 A 101 101 LEU H H 98 8.832 8.345 0.487 1
1 1305 . 19 1 1 A 101 101 LEU CA C 98 52.524 53.581 -1.057 1
1 1306 . 19 1 1 A 101 101 LEU HA H 98 4.654 4.544 0.110 1
1 1307 . 19 1 1 A 101 101 LEU CB C 98 40.422 41.919 -1.497 1
1 1321 . 19 1 1 A 102 102 PRO CA C 99 61.075 62.224 -1.149 1
1 1322 . 19 1 1 A 102 102 PRO HA H 99 4.629 4.625 0.004 1
1 1323 . 19 1 1 A 102 102 PRO CB C 99 31.778 33.137 -1.359 1
1 1328 . 19 1 1 A 102 102 PRO C C 99 174.604 176.201 -1.597 1
1 1329 . 19 1 1 A 103 103 VAL N N 100 120.834 120.839 -0.005 1
1 1330 . 19 1 1 A 103 103 VAL H H 100 8.661 8.561 0.100 1
1 1331 . 19 1 1 A 103 103 VAL CA C 100 62.977 62.627 0.350 1
1 1332 . 19 1 1 A 103 103 VAL HA H 100 3.860 4.194 -0.334 1
1 1333 . 19 1 1 A 103 103 VAL CB C 100 31.731 31.874 -0.143 1
1 1342 . 19 1 1 A 103 103 VAL C C 100 177.396 176.391 1.005 1
1 1343 . 19 1 1 A 104 104 TYR N N 101 129.973 126.685 3.288 1
1 1344 . 19 1 1 A 104 104 TYR H H 101 8.487 9.256 -0.769 1
1 1345 . 19 1 1 A 104 104 TYR CA C 101 62.855 62.061 0.794 1
1 1346 . 19 1 1 A 104 104 TYR HA H 101 3.802 4.126 -0.324 1
1 1347 . 19 1 1 A 104 104 TYR CB C 101 38.429 39.043 -0.614 1
1 1356 . 19 1 1 A 104 104 TYR C C 101 175.877 177.570 -1.693 1
1 1357 . 19 1 1 A 105 105 LYS N N 102 117.165 119.455 -2.290 1
1 1358 . 19 1 1 A 105 105 LYS H H 102 8.848 8.265 0.583 1
1 1359 . 19 1 1 A 105 105 LYS CA C 102 59.343 59.879 -0.536 1
1 1360 . 19 1 1 A 105 105 LYS HA H 102 3.810 3.847 -0.037 1
1 1361 . 19 1 1 A 105 105 LYS CB C 102 31.739 32.112 -0.373 1
1 1373 . 19 1 1 A 105 105 LYS C C 102 177.370 178.225 -0.855 1
1 1374 . 19 1 1 A 106 106 ASP N N 103 117.011 120.343 -3.332 1
1 1375 . 19 1 1 A 106 106 ASP H H 103 6.781 8.176 -1.395 1
1 1376 . 19 1 1 A 106 106 ASP CA C 103 56.155 57.759 -1.604 1
1 1377 . 19 1 1 A 106 106 ASP HA H 103 4.454 4.291 0.163 1
1 1378 . 19 1 1 A 106 106 ASP CB C 103 39.467 41.557 -2.090 1
1 1381 . 19 1 1 A 106 106 ASP C C 103 178.180 178.170 0.010 1
1 1382 . 19 1 1 A 107 107 LEU N N 104 124.145 119.870 4.275 1
1 1383 . 19 1 1 A 107 107 LEU H H 104 7.687 8.439 -0.752 1
1 1384 . 19 1 1 A 107 107 LEU CA C 104 56.938 58.103 -1.165 1
1 1385 . 19 1 1 A 107 107 LEU HA H 104 4.000 3.955 0.045 1
1 1386 . 19 1 1 A 107 107 LEU CB C 104 41.707 41.715 -0.008 1
1 1399 . 19 1 1 A 107 107 LEU C C 104 176.403 178.963 -2.560 1
1 1400 . 19 1 1 A 108 108 TRP N N 105 120.039 120.717 -0.678 1
1 1401 . 19 1 1 A 108 108 TRP H H 105 9.072 8.345 0.727 1
1 1402 . 19 1 1 A 108 108 TRP CA C 105 62.392 60.913 1.479 1
1 1403 . 19 1 1 A 108 108 TRP HA H 105 3.547 4.197 -0.650 1
1 1404 . 19 1 1 A 108 108 TRP CB C 105 28.316 29.365 -1.049 1
1 1415 . 19 1 1 A 108 108 TRP C C 105 176.983 177.974 -0.991 1
1 1416 . 19 1 1 A 109 109 ASN N N 106 113.557 116.475 -2.918 1
1 1417 . 19 1 1 A 109 109 ASN H H 106 8.058 8.287 -0.229 1
1 1418 . 19 1 1 A 109 109 ASN CA C 106 55.662 55.996 -0.334 1
1 1419 . 19 1 1 A 109 109 ASN HA H 106 3.994 3.864 0.130 1
1 1420 . 19 1 1 A 109 109 ASN CB C 106 37.973 37.432 0.541 1
1 1426 . 19 1 1 A 109 109 ASN C C 106 176.928 177.510 -0.582 1
1 1427 . 19 1 1 A 110 110 ALA N N 107 121.997 122.874 -0.877 1
1 1428 . 19 1 1 A 110 110 ALA H H 107 7.718 7.801 -0.083 1
1 1429 . 19 1 1 A 110 110 ALA CA C 107 54.261 55.007 -0.746 1
1 1430 . 19 1 1 A 110 110 ALA HA H 107 3.979 3.950 0.029 1
1 1434 . 19 1 1 A 110 110 ALA CB C 107 17.322 18.558 -1.236 1
1 1435 . 19 1 1 A 110 110 ALA C C 107 180.452 180.035 0.417 1
1 1436 . 19 1 1 A 111 111 LEU N N 108 119.150 118.049 1.101 1
1 1437 . 19 1 1 A 111 111 LEU H H 108 8.200 8.584 -0.384 1
1 1438 . 19 1 1 A 111 111 LEU CA C 108 56.264 57.712 -1.448 1
1 1439 . 19 1 1 A 111 111 LEU HA H 108 3.857 4.050 -0.193 1
1 1440 . 19 1 1 A 111 111 LEU CB C 108 41.134 41.212 -0.078 1
1 1453 . 19 1 1 A 111 111 LEU C C 108 178.144 179.445 -1.301 1
1 1454 . 19 1 1 A 112 112 ARG N N 109 117.178 120.078 -2.900 1
1 1455 . 19 1 1 A 112 112 ARG H H 109 7.365 8.222 -0.857 1
1 1456 . 19 1 1 A 112 112 ARG CA C 109 56.443 59.521 -3.078 1
1 1457 . 19 1 1 A 112 112 ARG HA H 109 2.642 3.977 -1.335 1
1 1458 . 19 1 1 A 112 112 ARG CB C 109 28.901 30.030 -1.129 1
1 1469 . 19 1 1 A 112 112 ARG C C 109 176.348 178.997 -2.649 1
1 1470 . 19 1 1 A 113 113 LYS N N 110 118.628 117.097 1.531 1
1 1471 . 19 1 1 A 113 113 LYS H H 110 7.145 7.778 -0.633 1
1 1472 . 19 1 1 A 113 113 LYS CA C 110 56.410 56.615 -0.205 1
1 1473 . 19 1 1 A 113 113 LYS HA H 110 4.018 4.157 -0.139 1
1 1474 . 19 1 1 A 113 113 LYS CB C 110 32.091 32.667 -0.576 1
1 1486 . 19 1 1 A 113 113 LYS C C 110 176.164 177.199 -1.035 1
1 5 . 20 1 1 A 2 2 SER N N -2 115.414 116.368 -0.954 1
1 6 . 20 1 1 A 2 2 SER H H -2 8.737 7.876 0.861 1
1 7 . 20 1 1 A 2 2 SER CA C -2 57.710 58.599 -0.889 1
1 8 . 20 1 1 A 2 2 SER HA H -2 4.446 4.584 -0.138 1
1 9 . 20 1 1 A 2 2 SER CB C -2 63.365 64.403 -1.038 1
1 12 . 20 1 1 A 2 2 SER C C -2 173.826 174.349 -0.523 1
1 40 . 20 1 1 A 5 5 ILE N N 2 122.114 116.435 5.679 1
1 41 . 20 1 1 A 5 5 ILE H H 2 8.292 8.305 -0.013 1
1 42 . 20 1 1 A 5 5 ILE CA C 2 60.568 62.226 -1.658 1
1 43 . 20 1 1 A 5 5 ILE HA H 2 4.102 4.039 0.063 1
1 44 . 20 1 1 A 5 5 ILE CB C 2 38.417 36.934 1.483 1
1 57 . 20 1 1 A 5 5 ILE C C 2 174.970 174.287 0.683 1
1 58 . 20 1 1 A 6 6 ASN N N 3 122.794 125.614 -2.820 1
1 59 . 20 1 1 A 6 6 ASN H H 3 8.636 8.359 0.277 1
1 60 . 20 1 1 A 6 6 ASN CA C 3 52.274 52.919 -0.645 1
1 61 . 20 1 1 A 6 6 ASN HA H 3 4.712 5.097 -0.385 1
1 62 . 20 1 1 A 6 6 ASN CB C 3 38.194 42.181 -3.987 1
1 68 . 20 1 1 A 6 6 ASN C C 3 174.766 175.451 -0.685 1
1 69 . 20 1 1 A 7 7 LEU N N 4 123.220 124.401 -1.181 1
1 70 . 20 1 1 A 7 7 LEU H H 4 8.484 8.761 -0.277 1
1 71 . 20 1 1 A 7 7 LEU CA C 4 55.359 57.968 -2.609 1
1 72 . 20 1 1 A 7 7 LEU HA H 4 4.197 4.005 0.192 1
1 73 . 20 1 1 A 7 7 LEU CB C 4 41.461 41.576 -0.115 1
1 86 . 20 1 1 A 7 7 LEU C C 4 177.248 177.731 -0.483 1
1 87 . 20 1 1 A 8 8 GLU N N 5 119.354 117.758 1.596 1
1 88 . 20 1 1 A 8 8 GLU H H 5 8.455 7.846 0.609 1
1 89 . 20 1 1 A 8 8 GLU CA C 5 56.589 56.637 -0.048 1
1 90 . 20 1 1 A 8 8 GLU HA H 5 4.091 4.338 -0.247 1
1 91 . 20 1 1 A 8 8 GLU CB C 5 29.275 30.291 -1.016 1
1 97 . 20 1 1 A 8 8 GLU C C 5 175.981 176.314 -0.333 1
1 98 . 20 1 1 A 9 9 ASP N N 6 119.780 121.632 -1.852 1
1 99 . 20 1 1 A 9 9 ASP H H 6 8.136 8.581 -0.445 1
1 100 . 20 1 1 A 9 9 ASP CA C 6 53.931 53.468 0.463 1
1 101 . 20 1 1 A 9 9 ASP HA H 6 4.492 4.947 -0.455 1
1 102 . 20 1 1 A 9 9 ASP CB C 6 40.360 42.138 -1.778 1
1 105 . 20 1 1 A 9 9 ASP C C 6 175.397 175.615 -0.218 1
1 106 . 20 1 1 A 10 10 TYR N N 7 119.939 120.185 -0.246 1
1 107 . 20 1 1 A 10 10 TYR H H 7 7.902 7.937 -0.035 1
1 108 . 20 1 1 A 10 10 TYR CA C 7 57.667 57.002 0.665 1
1 109 . 20 1 1 A 10 10 TYR HA H 7 4.431 4.886 -0.455 1
1 110 . 20 1 1 A 10 10 TYR CB C 7 38.236 39.379 -1.143 1
1 119 . 20 1 1 A 10 10 TYR C C 7 174.898 175.168 -0.270 1
1 120 . 20 1 1 A 11 11 TRP N N 8 122.648 120.985 1.663 1
1 121 . 20 1 1 A 11 11 TRP H H 8 7.917 7.949 -0.032 1
1 122 . 20 1 1 A 11 11 TRP CA C 8 56.562 58.046 -1.484 1
1 123 . 20 1 1 A 11 11 TRP HA H 8 4.578 4.236 0.342 1
1 124 . 20 1 1 A 11 11 TRP CB C 8 29.293 27.594 1.699 1
1 139 . 20 1 1 A 11 11 TRP C C 8 175.212 175.108 0.104 1
1 140 . 20 1 1 A 12 12 GLU N N 9 122.189 120.534 1.655 1
1 141 . 20 1 1 A 12 12 GLU H H 9 8.030 7.436 0.594 1
1 142 . 20 1 1 A 12 12 GLU CA C 9 55.743 55.260 0.483 1
1 143 . 20 1 1 A 12 12 GLU HA H 9 4.137 4.975 -0.838 1
1 144 . 20 1 1 A 12 12 GLU CB C 9 30.001 31.654 -1.653 1
1 150 . 20 1 1 A 12 12 GLU C C 9 175.138 175.253 -0.115 1
1 151 . 20 1 1 A 13 13 ASP N N 10 121.099 126.299 -5.200 1
1 152 . 20 1 1 A 13 13 ASP H H 10 8.253 8.918 -0.665 1
1 153 . 20 1 1 A 13 13 ASP CA C 10 53.843 53.524 0.319 1
1 154 . 20 1 1 A 13 13 ASP HA H 10 4.500 4.866 -0.366 1
1 155 . 20 1 1 A 13 13 ASP CB C 10 40.715 42.088 -1.373 1
1 158 . 20 1 1 A 13 13 ASP C C 10 175.700 176.183 -0.483 1
1 159 . 20 1 1 A 14 14 GLU N N 11 121.240 118.112 3.128 1
1 160 . 20 1 1 A 14 14 GLU H H 11 8.435 8.072 0.363 1
1 161 . 20 1 1 A 14 14 GLU CA C 11 55.858 56.146 -0.288 1
1 162 . 20 1 1 A 14 14 GLU HA H 11 4.289 4.393 -0.104 1
1 163 . 20 1 1 A 14 14 GLU CB C 11 29.758 29.104 0.654 1
1 169 . 20 1 1 A 14 14 GLU C C 11 176.002 175.587 0.415 1
1 170 . 20 1 1 A 15 15 THR N N 12 118.367 114.569 3.798 1
1 171 . 20 1 1 A 15 15 THR H H 12 8.407 7.392 1.015 1
1 172 . 20 1 1 A 15 15 THR CA C 12 59.646 57.687 1.959 1
1 173 . 20 1 1 A 15 15 THR HA H 12 4.503 4.825 -0.322 1
1 174 . 20 1 1 A 15 15 THR CB C 12 69.084 71.168 -2.084 1
1 181 . 20 1 1 A 16 16 PRO CA C 13 62.791 62.461 0.330 1
1 182 . 20 1 1 A 16 16 PRO HA H 13 4.408 4.569 -0.161 1
1 183 . 20 1 1 A 16 16 PRO CB C 13 31.771 33.112 -1.341 1
1 191 . 20 1 1 A 16 16 PRO C C 13 176.689 175.895 0.794 1
1 192 . 20 1 1 A 17 17 GLY N N 14 109.540 106.509 3.031 1
1 193 . 20 1 1 A 17 17 GLY H H 14 8.423 8.171 0.252 1
1 194 . 20 1 1 A 17 17 GLY CA C 14 44.219 45.172 -0.953 1
1 195 . 20 1 1 A 17 17 GLY HA2 H 14 4.010 4.199 -0.189 1
1 196 . 20 1 1 A 17 17 GLY HA3 H 14 4.159 4.207 -0.048 1
1 198 . 20 1 1 A 18 18 PRO CA C 15 62.843 62.507 0.336 1
1 199 . 20 1 1 A 18 18 PRO HA H 15 4.412 4.617 -0.205 1
1 200 . 20 1 1 A 18 18 PRO CB C 15 31.667 33.537 -1.870 1
1 208 . 20 1 1 A 18 18 PRO C C 15 176.447 175.846 0.601 1
1 209 . 20 1 1 A 19 19 ASP N N 16 119.197 120.709 -1.512 1
1 210 . 20 1 1 A 19 19 ASP H H 16 8.517 8.811 -0.294 1
1 211 . 20 1 1 A 19 19 ASP CA C 16 53.940 53.815 0.125 1
1 212 . 20 1 1 A 19 19 ASP HA H 16 4.559 4.907 -0.348 1
1 213 . 20 1 1 A 19 19 ASP CB C 16 40.180 42.500 -2.320 1
1 216 . 20 1 1 A 19 19 ASP C C 16 175.764 176.099 -0.335 1
1 217 . 20 1 1 A 20 20 ARG N N 17 120.435 118.891 1.544 1
1 218 . 20 1 1 A 20 20 ARG H H 17 8.201 7.893 0.308 1
1 219 . 20 1 1 A 20 20 ARG CA C 17 55.216 57.513 -2.297 1
1 220 . 20 1 1 A 20 20 ARG HA H 17 4.356 4.598 -0.242 1
1 221 . 20 1 1 A 20 20 ARG CB C 17 30.184 32.456 -2.272 1
1 237 . 20 1 1 A 20 20 ARG C C 17 175.724 175.502 0.222 1
1 238 . 20 1 1 A 21 21 GLU N N 18 122.477 117.009 5.468 1
1 239 . 20 1 1 A 21 21 GLU H H 18 8.371 7.644 0.727 1
1 240 . 20 1 1 A 21 21 GLU CA C 18 53.658 55.461 -1.803 1
1 241 . 20 1 1 A 21 21 GLU HA H 18 4.657 4.510 0.147 1
1 242 . 20 1 1 A 21 21 GLU CB C 18 28.984 30.158 -1.174 1
1 249 . 20 1 1 A 22 22 PRO CA C 19 62.442 62.688 -0.246 1
1 250 . 20 1 1 A 22 22 PRO HA H 19 4.516 4.785 -0.269 1
1 251 . 20 1 1 A 22 22 PRO CB C 19 31.903 32.711 -0.808 1
1 259 . 20 1 1 A 22 22 PRO C C 19 176.323 176.045 0.278 1
1 260 . 20 1 1 A 23 23 THR N N 20 112.531 115.246 -2.715 1
1 261 . 20 1 1 A 23 23 THR H H 20 7.946 8.405 -0.459 1
1 262 . 20 1 1 A 23 23 THR CA C 20 60.521 60.215 0.306 1
1 263 . 20 1 1 A 23 23 THR HA H 20 4.373 4.907 -0.534 1
1 264 . 20 1 1 A 23 23 THR CB C 20 70.238 71.725 -1.487 1
1 270 . 20 1 1 A 23 23 THR C C 20 174.678 174.838 -0.160 1
1 271 . 20 1 1 A 24 24 ASN N N 21 120.631 123.755 -3.124 1
1 272 . 20 1 1 A 24 24 ASN H H 21 8.958 9.231 -0.273 1
1 273 . 20 1 1 A 24 24 ASN CA C 21 54.854 57.224 -2.370 1
1 274 . 20 1 1 A 24 24 ASN HA H 21 4.467 4.384 0.083 1
1 275 . 20 1 1 A 24 24 ASN CB C 21 37.535 37.999 -0.464 1
1 281 . 20 1 1 A 24 24 ASN C C 21 176.397 177.347 -0.950 1
1 282 . 20 1 1 A 25 25 GLU N N 22 120.237 119.046 1.191 1
1 283 . 20 1 1 A 25 25 GLU H H 22 8.644 8.214 0.430 1
1 284 . 20 1 1 A 25 25 GLU CA C 22 59.195 58.922 0.273 1
1 285 . 20 1 1 A 25 25 GLU HA H 22 4.076 4.128 -0.052 1
1 286 . 20 1 1 A 25 25 GLU CB C 22 28.567 29.376 -0.809 1
1 292 . 20 1 1 A 25 25 GLU C C 22 177.942 178.701 -0.759 1
1 293 . 20 1 1 A 26 26 LEU N N 23 122.376 121.359 1.017 1
1 294 . 20 1 1 A 26 26 LEU H H 23 8.109 7.968 0.141 1
1 295 . 20 1 1 A 26 26 LEU CA C 23 56.940 58.183 -1.243 1
1 296 . 20 1 1 A 26 26 LEU HA H 23 4.247 3.970 0.277 1
1 297 . 20 1 1 A 26 26 LEU CB C 23 40.425 41.871 -1.446 1
1 310 . 20 1 1 A 26 26 LEU C C 23 178.298 178.326 -0.028 1
1 311 . 20 1 1 A 27 27 ARG N N 24 118.606 118.217 0.389 1
1 312 . 20 1 1 A 27 27 ARG H H 24 8.225 8.170 0.055 1
1 313 . 20 1 1 A 27 27 ARG CA C 24 59.892 58.959 0.933 1
1 314 . 20 1 1 A 27 27 ARG HA H 24 3.875 4.035 -0.160 1
1 315 . 20 1 1 A 27 27 ARG CB C 24 28.853 29.679 -0.826 1
1 331 . 20 1 1 A 27 27 ARG C C 24 178.374 178.529 -0.155 1
1 332 . 20 1 1 A 28 28 ASN N N 25 117.812 118.501 -0.689 1
1 333 . 20 1 1 A 28 28 ASN H H 25 8.146 8.215 -0.069 1
1 334 . 20 1 1 A 28 28 ASN CA C 25 55.753 56.386 -0.633 1
1 335 . 20 1 1 A 28 28 ASN HA H 25 4.452 4.433 0.019 1
1 336 . 20 1 1 A 28 28 ASN CB C 25 37.388 38.876 -1.488 1
1 342 . 20 1 1 A 28 28 ASN C C 25 177.043 177.961 -0.918 1
1 343 . 20 1 1 A 29 29 GLU N N 26 121.177 117.921 3.256 1
1 344 . 20 1 1 A 29 29 GLU H H 26 8.247 8.556 -0.309 1
1 345 . 20 1 1 A 29 29 GLU CA C 26 58.897 59.002 -0.105 1
1 346 . 20 1 1 A 29 29 GLU HA H 26 4.075 4.082 -0.007 1
1 347 . 20 1 1 A 29 29 GLU CB C 26 29.202 29.285 -0.083 1
1 353 . 20 1 1 A 29 29 GLU C C 26 180.215 179.891 0.324 1
1 354 . 20 1 1 A 30 30 VAL N N 27 123.509 121.349 2.160 1
1 355 . 20 1 1 A 30 30 VAL H H 27 8.793 7.749 1.044 1
1 356 . 20 1 1 A 30 30 VAL CA C 27 68.051 66.865 1.186 1
1 357 . 20 1 1 A 30 30 VAL HA H 27 3.413 3.827 -0.414 1
1 358 . 20 1 1 A 30 30 VAL CB C 27 31.196 31.392 -0.196 1
1 368 . 20 1 1 A 30 30 VAL C C 27 176.589 178.121 -1.532 1
1 369 . 20 1 1 A 31 31 GLU N N 28 119.159 119.215 -0.056 1
1 370 . 20 1 1 A 31 31 GLU H H 28 8.042 8.240 -0.198 1
1 371 . 20 1 1 A 31 31 GLU CA C 28 59.379 59.711 -0.332 1
1 372 . 20 1 1 A 31 31 GLU HA H 28 3.946 4.006 -0.060 1
1 373 . 20 1 1 A 31 31 GLU CB C 28 28.603 29.143 -0.540 1
1 379 . 20 1 1 A 31 31 GLU C C 28 179.282 178.912 0.370 1
1 380 . 20 1 1 A 32 32 GLU N N 29 118.871 118.666 0.205 1
1 381 . 20 1 1 A 32 32 GLU H H 29 8.550 8.106 0.444 1
1 382 . 20 1 1 A 32 32 GLU CA C 29 58.770 59.044 -0.274 1
1 383 . 20 1 1 A 32 32 GLU HA H 29 4.056 4.095 -0.039 1
1 384 . 20 1 1 A 32 32 GLU CB C 29 29.214 29.238 -0.024 1
1 390 . 20 1 1 A 32 32 GLU C C 29 178.791 178.502 0.289 1
1 391 . 20 1 1 A 33 33 THR N N 30 117.719 111.705 6.014 1
1 392 . 20 1 1 A 33 33 THR H H 30 8.205 8.197 0.008 1
1 393 . 20 1 1 A 33 33 THR CA C 30 67.465 65.851 1.614 1
1 394 . 20 1 1 A 33 33 THR HA H 30 3.816 4.025 -0.209 1
1 395 . 20 1 1 A 33 33 THR CB C 30 66.888 68.245 -1.357 1
1 401 . 20 1 1 A 33 33 THR C C 30 175.681 177.628 -1.947 1
1 402 . 20 1 1 A 34 34 ILE N N 31 123.925 123.227 0.698 1
1 403 . 20 1 1 A 34 34 ILE H H 31 8.698 8.095 0.603 1
1 404 . 20 1 1 A 34 34 ILE CA C 31 66.438 64.702 1.736 1
1 405 . 20 1 1 A 34 34 ILE HA H 31 3.442 3.722 -0.280 1
1 406 . 20 1 1 A 34 34 ILE CB C 31 37.311 37.285 0.026 1
1 416 . 20 1 1 A 34 34 ILE C C 31 176.731 178.071 -1.340 1
1 417 . 20 1 1 A 35 35 THR N N 32 116.478 118.188 -1.710 1
1 418 . 20 1 1 A 35 35 THR H H 32 7.956 8.124 -0.168 1
1 419 . 20 1 1 A 35 35 THR CA C 32 66.447 67.028 -0.581 1
1 420 . 20 1 1 A 35 35 THR HA H 32 3.929 4.062 -0.133 1
1 421 . 20 1 1 A 35 35 THR CB C 32 67.964 67.885 0.079 1
1 427 . 20 1 1 A 35 35 THR C C 32 176.226 176.611 -0.385 1
1 428 . 20 1 1 A 36 36 LEU N N 33 119.834 120.316 -0.482 1
1 429 . 20 1 1 A 36 36 LEU H H 33 7.663 7.715 -0.052 1
1 430 . 20 1 1 A 36 36 LEU CA C 33 57.274 57.526 -0.252 1
1 431 . 20 1 1 A 36 36 LEU HA H 33 4.075 4.085 -0.010 1
1 432 . 20 1 1 A 36 36 LEU CB C 33 42.188 41.698 0.490 1
1 445 . 20 1 1 A 36 36 LEU C C 33 179.412 179.192 0.220 1
1 446 . 20 1 1 A 37 37 MET N N 34 119.993 117.828 2.165 1
1 447 . 20 1 1 A 37 37 MET H H 34 8.509 8.485 0.024 1
1 448 . 20 1 1 A 37 37 MET CA C 34 57.865 57.769 0.096 1
1 449 . 20 1 1 A 37 37 MET HA H 34 3.865 4.229 -0.364 1
1 450 . 20 1 1 A 37 37 MET CB C 34 28.735 32.434 -3.699 1
1 460 . 20 1 1 A 37 37 MET C C 34 178.772 178.185 0.587 1
1 461 . 20 1 1 A 38 38 GLU N N 35 120.011 120.681 -0.670 1
1 462 . 20 1 1 A 38 38 GLU H H 35 8.321 8.272 0.049 1
1 463 . 20 1 1 A 38 38 GLU CA C 35 58.442 58.760 -0.318 1
1 464 . 20 1 1 A 38 38 GLU HA H 35 3.928 4.062 -0.134 1
1 465 . 20 1 1 A 38 38 GLU CB C 35 28.943 29.514 -0.571 1
1 471 . 20 1 1 A 38 38 GLU C C 35 176.040 177.730 -1.690 1
1 472 . 20 1 1 A 39 39 LEU N N 36 118.349 117.658 0.691 1
1 473 . 20 1 1 A 39 39 LEU H H 36 7.441 7.218 0.223 1
1 474 . 20 1 1 A 39 39 LEU CA C 36 54.614 54.252 0.362 1
1 475 . 20 1 1 A 39 39 LEU HA H 36 4.393 4.514 -0.121 1
1 476 . 20 1 1 A 39 39 LEU CB C 36 42.210 41.308 0.902 1
1 489 . 20 1 1 A 39 39 LEU C C 36 178.113 176.488 1.625 1
1 490 . 20 1 1 A 40 40 LEU N N 37 118.362 122.031 -3.669 1
1 491 . 20 1 1 A 40 40 LEU H H 37 7.464 7.499 -0.035 1
1 492 . 20 1 1 A 40 40 LEU CA C 37 54.659 55.520 -0.861 1
1 493 . 20 1 1 A 40 40 LEU HA H 37 4.400 4.159 0.241 1
1 494 . 20 1 1 A 40 40 LEU CB C 37 40.993 41.982 -0.989 1
1 507 . 20 1 1 A 40 40 LEU C C 37 177.827 176.838 0.989 1
1 508 . 20 1 1 A 41 41 LYS N N 38 120.851 124.848 -3.997 1
1 509 . 20 1 1 A 41 41 LYS H H 38 9.254 8.539 0.715 1
1 510 . 20 1 1 A 41 41 LYS CA C 38 54.727 55.931 -1.204 1
1 511 . 20 1 1 A 41 41 LYS HA H 38 4.572 4.531 0.041 1
1 512 . 20 1 1 A 41 41 LYS CB C 38 33.768 33.462 0.306 1
1 524 . 20 1 1 A 41 41 LYS C C 38 177.911 177.794 0.117 1
1 525 . 20 1 1 A 42 42 VAL N N 39 122.215 119.518 2.697 1
1 526 . 20 1 1 A 42 42 VAL H H 39 9.039 8.751 0.288 1
1 527 . 20 1 1 A 42 42 VAL CA C 39 67.408 65.358 2.050 1
1 528 . 20 1 1 A 42 42 VAL HA H 39 3.699 3.686 0.013 1
1 529 . 20 1 1 A 42 42 VAL CB C 39 31.056 31.667 -0.611 1
1 539 . 20 1 1 A 42 42 VAL C C 39 176.560 177.638 -1.078 1
1 540 . 20 1 1 A 43 43 SER N N 40 114.377 117.195 -2.818 1
1 541 . 20 1 1 A 43 43 SER H H 40 8.686 8.185 0.501 1
1 542 . 20 1 1 A 43 43 SER CA C 40 61.144 61.980 -0.836 1
1 543 . 20 1 1 A 43 43 SER HA H 40 3.933 4.074 -0.141 1
1 544 . 20 1 1 A 43 43 SER CB C 40 60.933 62.917 -1.984 1
1 547 . 20 1 1 A 43 43 SER C C 40 175.910 176.865 -0.955 1
1 548 . 20 1 1 A 44 44 GLU N N 41 122.833 121.605 1.228 1
1 549 . 20 1 1 A 44 44 GLU H H 41 6.661 7.962 -1.301 1
1 550 . 20 1 1 A 44 44 GLU CA C 41 57.315 58.987 -1.672 1
1 551 . 20 1 1 A 44 44 GLU HA H 41 4.363 4.133 0.230 1
1 552 . 20 1 1 A 44 44 GLU CB C 41 30.399 29.521 0.878 1
1 558 . 20 1 1 A 44 44 GLU C C 41 178.185 178.960 -0.775 1
1 559 . 20 1 1 A 45 45 LEU N N 42 119.110 120.358 -1.248 1
1 560 . 20 1 1 A 45 45 LEU H H 42 8.393 8.245 0.148 1
1 561 . 20 1 1 A 45 45 LEU CA C 42 57.359 57.812 -0.453 1
1 562 . 20 1 1 A 45 45 LEU HA H 42 3.918 3.969 -0.051 1
1 563 . 20 1 1 A 45 45 LEU CB C 42 42.476 41.531 0.945 1
1 576 . 20 1 1 A 45 45 LEU C C 42 179.735 179.197 0.538 1
1 577 . 20 1 1 A 46 46 LYS N N 43 118.025 117.438 0.587 1
1 578 . 20 1 1 A 46 46 LYS H H 43 8.596 8.404 0.192 1
1 579 . 20 1 1 A 46 46 LYS CA C 43 60.844 60.441 0.403 1
1 580 . 20 1 1 A 46 46 LYS HA H 43 3.816 3.859 -0.043 1
1 581 . 20 1 1 A 46 46 LYS CB C 43 31.918 32.345 -0.427 1
1 593 . 20 1 1 A 46 46 LYS C C 43 177.672 179.341 -1.669 1
1 594 . 20 1 1 A 47 47 ASP N N 44 119.267 119.747 -0.480 1
1 595 . 20 1 1 A 47 47 ASP H H 44 7.448 8.269 -0.821 1
1 596 . 20 1 1 A 47 47 ASP CA C 44 57.422 57.157 0.265 1
1 597 . 20 1 1 A 47 47 ASP HA H 44 4.555 4.367 0.188 1
1 598 . 20 1 1 A 47 47 ASP CB C 44 39.264 40.646 -1.382 1
1 601 . 20 1 1 A 47 47 ASP C C 44 179.284 179.135 0.149 1
1 602 . 20 1 1 A 48 48 ILE N N 45 120.817 119.643 1.174 1
1 603 . 20 1 1 A 48 48 ILE H H 45 7.871 8.098 -0.227 1
1 604 . 20 1 1 A 48 48 ILE CA C 45 64.604 65.431 -0.827 1
1 605 . 20 1 1 A 48 48 ILE HA H 45 3.653 3.587 0.066 1
1 606 . 20 1 1 A 48 48 ILE CB C 45 36.293 38.283 -1.990 1
1 619 . 20 1 1 A 48 48 ILE C C 45 177.180 177.688 -0.508 1
1 620 . 20 1 1 A 49 49 CYS N N 46 117.775 119.916 -2.141 1
1 621 . 20 1 1 A 49 49 CYS H H 46 8.543 8.694 -0.151 1
1 622 . 20 1 1 A 49 49 CYS CA C 46 64.971 63.600 1.371 1
1 623 . 20 1 1 A 49 49 CYS HA H 46 3.852 4.072 -0.220 1
1 624 . 20 1 1 A 49 49 CYS CB C 46 25.872 26.728 -0.856 1
1 627 . 20 1 1 A 49 49 CYS C C 46 176.288 176.909 -0.621 1
1 628 . 20 1 1 A 50 50 ARG N N 47 118.702 122.426 -3.724 1
1 629 . 20 1 1 A 50 50 ARG H H 47 8.626 8.153 0.473 1
1 630 . 20 1 1 A 50 50 ARG CA C 47 58.983 59.289 -0.306 1
1 631 . 20 1 1 A 50 50 ARG HA H 47 4.058 4.108 -0.050 1
1 632 . 20 1 1 A 50 50 ARG CB C 47 29.512 30.202 -0.690 1
1 648 . 20 1 1 A 50 50 ARG C C 47 179.270 178.271 0.999 1
1 649 . 20 1 1 A 51 51 SER N N 48 114.502 114.325 0.177 1
1 650 . 20 1 1 A 51 51 SER H H 48 7.514 7.900 -0.386 1
1 651 . 20 1 1 A 51 51 SER CA C 48 61.745 61.686 0.059 1
1 652 . 20 1 1 A 51 51 SER HA H 48 4.308 4.197 0.111 1
1 653 . 20 1 1 A 51 51 SER CB C 48 62.780 63.223 -0.443 1
1 656 . 20 1 1 A 51 51 SER C C 48 176.764 176.916 -0.152 1
1 657 . 20 1 1 A 52 52 VAL N N 49 113.832 120.338 -6.506 1
1 658 . 20 1 1 A 52 52 VAL H H 49 7.511 8.122 -0.611 1
1 659 . 20 1 1 A 52 52 VAL CA C 49 60.751 63.124 -2.373 1
1 660 . 20 1 1 A 52 52 VAL HA H 49 3.760 3.927 -0.167 1
1 661 . 20 1 1 A 52 52 VAL CB C 49 30.719 31.397 -0.678 1
1 671 . 20 1 1 A 52 52 VAL C C 49 173.462 174.832 -1.370 1
1 672 . 20 1 1 A 53 53 SER N N 50 112.698 114.928 -2.230 1
1 673 . 20 1 1 A 53 53 SER H H 50 7.653 7.981 -0.328 1
1 674 . 20 1 1 A 53 53 SER CA C 50 59.025 59.600 -0.575 1
1 675 . 20 1 1 A 53 53 SER HA H 50 3.911 4.104 -0.193 1
1 676 . 20 1 1 A 53 53 SER CB C 50 60.895 61.241 -0.346 1
1 679 . 20 1 1 A 53 53 SER C C 50 174.065 173.405 0.660 1
1 680 . 20 1 1 A 54 54 PHE N N 51 120.132 120.199 -0.067 1
1 681 . 20 1 1 A 54 54 PHE H H 51 8.332 7.511 0.821 1
1 682 . 20 1 1 A 54 54 PHE CA C 51 51.743 56.893 -5.150 1
1 683 . 20 1 1 A 54 54 PHE HA H 51 5.171 4.471 0.700 1
1 684 . 20 1 1 A 54 54 PHE CB C 51 37.762 38.401 -0.639 1
1 696 . 20 1 1 A 55 55 PRO CA C 52 62.176 62.285 -0.109 1
1 697 . 20 1 1 A 55 55 PRO HA H 52 4.417 4.730 -0.313 1
1 698 . 20 1 1 A 55 55 PRO CB C 52 31.347 29.525 1.822 1
1 706 . 20 1 1 A 55 55 PRO C C 52 176.296 177.293 -0.997 1
1 707 . 20 1 1 A 56 56 VAL N N 53 109.933 126.048 -16.115 1
1 708 . 20 1 1 A 56 56 VAL H H 53 7.986 8.423 -0.437 1
1 709 . 20 1 1 A 56 56 VAL CA C 53 59.863 63.689 -3.826 1
1 710 . 20 1 1 A 56 56 VAL HA H 53 4.404 4.106 0.298 1
1 711 . 20 1 1 A 56 56 VAL CB C 53 31.483 31.759 -0.276 1
1 721 . 20 1 1 A 56 56 VAL C C 53 175.074 177.218 -2.144 1
1 722 . 20 1 1 A 57 57 SER N N 54 114.614 117.070 -2.456 1
1 723 . 20 1 1 A 57 57 SER H H 54 7.304 8.332 -1.028 1
1 724 . 20 1 1 A 57 57 SER CA C 54 57.295 62.211 -4.916 1
1 725 . 20 1 1 A 57 57 SER HA H 54 4.363 4.252 0.111 1
1 726 . 20 1 1 A 57 57 SER CB C 54 63.351 62.852 0.499 1
1 729 . 20 1 1 A 57 57 SER C C 54 174.225 176.386 -2.161 1
1 730 . 20 1 1 A 58 58 GLY N N 55 110.300 108.936 1.364 1
1 731 . 20 1 1 A 58 58 GLY H H 55 8.545 7.592 0.953 1
1 732 . 20 1 1 A 58 58 GLY CA C 55 43.806 44.312 -0.506 1
1 733 . 20 1 1 A 58 58 GLY HA2 H 55 4.009 4.033 -0.024 1
1 734 . 20 1 1 A 58 58 GLY HA3 H 55 3.715 4.039 -0.324 1
1 735 . 20 1 1 A 58 58 GLY C C 55 172.483 173.238 -0.755 1
1 736 . 20 1 1 A 59 59 ARG N N 56 116.392 120.005 -3.613 1
1 737 . 20 1 1 A 59 59 ARG H H 56 7.913 8.619 -0.706 1
1 738 . 20 1 1 A 59 59 ARG CA C 56 54.769 54.136 0.633 1
1 739 . 20 1 1 A 59 59 ARG HA H 56 4.371 4.900 -0.529 1
1 740 . 20 1 1 A 59 59 ARG CB C 56 30.447 32.479 -2.032 1
1 752 . 20 1 1 A 59 59 ARG C C 56 176.019 176.570 -0.551 1
1 753 . 20 1 1 A 60 60 LYS N N 57 122.009 119.815 2.194 1
1 754 . 20 1 1 A 60 60 LYS H H 57 8.811 8.778 0.033 1
1 755 . 20 1 1 A 60 60 LYS CA C 57 61.236 59.473 1.763 1
1 756 . 20 1 1 A 60 60 LYS HA H 57 3.606 3.918 -0.312 1
1 757 . 20 1 1 A 60 60 LYS CB C 57 32.419 32.005 0.414 1
1 769 . 20 1 1 A 60 60 LYS C C 57 176.824 177.851 -1.027 1
1 770 . 20 1 1 A 61 61 ALA N N 58 116.880 121.498 -4.618 1
1 771 . 20 1 1 A 61 61 ALA H H 58 8.794 7.837 0.957 1
1 772 . 20 1 1 A 61 61 ALA CA C 58 54.617 55.132 -0.515 1
1 773 . 20 1 1 A 61 61 ALA HA H 58 4.129 4.318 -0.189 1
1 777 . 20 1 1 A 61 61 ALA CB C 58 18.103 18.345 -0.242 1
1 778 . 20 1 1 A 61 61 ALA C C 58 179.574 179.822 -0.248 1
1 779 . 20 1 1 A 62 62 VAL N N 59 117.408 118.337 -0.929 1
1 780 . 20 1 1 A 62 62 VAL H H 59 7.047 7.907 -0.860 1
1 781 . 20 1 1 A 62 62 VAL CA C 59 64.864 66.891 -2.027 1
1 782 . 20 1 1 A 62 62 VAL HA H 59 3.701 3.483 0.218 1
1 783 . 20 1 1 A 62 62 VAL CB C 59 31.301 31.609 -0.308 1
1 793 . 20 1 1 A 62 62 VAL C C 59 178.103 178.069 0.034 1
1 794 . 20 1 1 A 63 63 LEU N N 60 119.573 119.053 0.520 1
1 795 . 20 1 1 A 63 63 LEU H H 60 7.585 8.204 -0.619 1
1 796 . 20 1 1 A 63 63 LEU CA C 60 57.571 58.185 -0.614 1
1 797 . 20 1 1 A 63 63 LEU HA H 60 3.923 3.796 0.127 1
1 798 . 20 1 1 A 63 63 LEU CB C 60 41.711 41.522 0.189 1
1 810 . 20 1 1 A 63 63 LEU C C 60 178.692 178.912 -0.220 1
1 811 . 20 1 1 A 64 64 GLN N N 61 114.206 117.387 -3.181 1
1 812 . 20 1 1 A 64 64 GLN H H 61 8.373 8.466 -0.093 1
1 813 . 20 1 1 A 64 64 GLN CA C 61 58.039 58.418 -0.379 1
1 814 . 20 1 1 A 64 64 GLN HA H 61 4.090 4.028 0.062 1
1 815 . 20 1 1 A 64 64 GLN CB C 61 28.670 28.545 0.125 1
1 821 . 20 1 1 A 64 64 GLN C C 61 178.207 177.306 0.901 1
1 822 . 20 1 1 A 65 65 ASP N N 62 118.671 120.379 -1.708 1
1 823 . 20 1 1 A 65 65 ASP H H 62 7.973 7.883 0.090 1
1 824 . 20 1 1 A 65 65 ASP CA C 62 56.961 57.397 -0.436 1
1 825 . 20 1 1 A 65 65 ASP HA H 62 4.353 4.413 -0.060 1
1 826 . 20 1 1 A 65 65 ASP CB C 62 39.856 40.390 -0.534 1
1 829 . 20 1 1 A 65 65 ASP C C 62 178.113 178.987 -0.874 1
1 830 . 20 1 1 A 66 66 LEU N N 63 119.708 120.743 -1.035 1
1 831 . 20 1 1 A 66 66 LEU H H 63 7.970 8.062 -0.092 1
1 832 . 20 1 1 A 66 66 LEU CA C 63 57.549 57.812 -0.263 1
1 833 . 20 1 1 A 66 66 LEU HA H 63 3.838 3.820 0.018 1
1 834 . 20 1 1 A 66 66 LEU CB C 63 41.235 41.919 -0.684 1
1 847 . 20 1 1 A 66 66 LEU C C 63 180.041 179.161 0.880 1
1 848 . 20 1 1 A 67 67 ILE N N 64 118.309 119.166 -0.857 1
1 849 . 20 1 1 A 67 67 ILE H H 64 7.555 8.028 -0.473 1
1 850 . 20 1 1 A 67 67 ILE CA C 64 63.895 65.738 -1.843 1
1 851 . 20 1 1 A 67 67 ILE HA H 64 3.794 3.709 0.085 1
1 852 . 20 1 1 A 67 67 ILE CB C 64 37.181 37.667 -0.486 1
1 865 . 20 1 1 A 67 67 ILE C C 64 176.949 178.076 -1.127 1
1 866 . 20 1 1 A 68 68 ARG N N 65 122.359 120.335 2.024 1
1 867 . 20 1 1 A 68 68 ARG H H 65 9.489 8.309 1.180 1
1 868 . 20 1 1 A 68 68 ARG CA C 65 60.488 59.881 0.607 1
1 869 . 20 1 1 A 68 68 ARG HA H 65 3.692 3.949 -0.257 1
1 870 . 20 1 1 A 68 68 ARG CB C 65 29.897 30.005 -0.108 1
1 880 . 20 1 1 A 68 68 ARG C C 65 177.728 179.035 -1.307 1
1 881 . 20 1 1 A 69 69 ASN N N 66 116.248 117.197 -0.949 1
1 882 . 20 1 1 A 69 69 ASN H H 66 8.546 8.250 0.296 1
1 883 . 20 1 1 A 69 69 ASN CA C 66 55.945 56.240 -0.295 1
1 884 . 20 1 1 A 69 69 ASN HA H 66 4.391 4.353 0.038 1
1 885 . 20 1 1 A 69 69 ASN CB C 66 37.828 37.834 -0.006 1
1 891 . 20 1 1 A 69 69 ASN C C 66 176.520 178.185 -1.665 1
1 892 . 20 1 1 A 70 70 PHE N N 67 121.134 119.096 2.038 1
1 893 . 20 1 1 A 70 70 PHE H H 67 7.693 7.946 -0.253 1
1 894 . 20 1 1 A 70 70 PHE CA C 67 60.170 60.585 -0.415 1
1 895 . 20 1 1 A 70 70 PHE HA H 67 4.535 4.313 0.222 1
1 896 . 20 1 1 A 70 70 PHE CB C 67 39.838 38.915 0.923 1
1 902 . 20 1 1 A 70 70 PHE C C 67 177.756 178.084 -0.328 1
1 903 . 20 1 1 A 71 71 LEU N N 68 117.959 119.450 -1.491 1
1 904 . 20 1 1 A 71 71 LEU H H 68 8.336 8.495 -0.159 1
1 905 . 20 1 1 A 71 71 LEU CA C 68 57.468 58.102 -0.634 1
1 906 . 20 1 1 A 71 71 LEU HA H 68 3.828 3.910 -0.082 1
1 907 . 20 1 1 A 71 71 LEU CB C 68 42.156 41.720 0.436 1
1 919 . 20 1 1 A 71 71 LEU C C 68 178.037 179.092 -1.055 1
1 920 . 20 1 1 A 72 72 GLN N N 69 117.479 118.591 -1.112 1
1 921 . 20 1 1 A 72 72 GLN H H 69 8.802 8.440 0.362 1
1 922 . 20 1 1 A 72 72 GLN CA C 69 58.632 59.330 -0.698 1
1 923 . 20 1 1 A 72 72 GLN HA H 69 3.906 3.961 -0.055 1
1 924 . 20 1 1 A 72 72 GLN CB C 69 27.010 28.352 -1.342 1
1 933 . 20 1 1 A 72 72 GLN C C 69 179.337 178.521 0.816 1
1 934 . 20 1 1 A 73 73 ASN N N 70 117.551 116.693 0.858 1
1 935 . 20 1 1 A 73 73 ASN H H 70 8.124 8.262 -0.138 1
1 936 . 20 1 1 A 73 73 ASN CA C 70 54.051 55.758 -1.707 1
1 937 . 20 1 1 A 73 73 ASN HA H 70 4.602 4.504 0.098 1
1 938 . 20 1 1 A 73 73 ASN CB C 70 37.810 37.964 -0.154 1
1 944 . 20 1 1 A 73 73 ASN C C 70 175.490 177.684 -2.194 1
1 945 . 20 1 1 A 74 74 ALA N N 71 120.962 120.433 0.529 1
1 946 . 20 1 1 A 74 74 ALA H H 71 7.787 7.709 0.078 1
1 947 . 20 1 1 A 74 74 ALA CA C 71 53.143 54.237 -1.094 1
1 948 . 20 1 1 A 74 74 ALA HA H 71 4.193 4.165 0.028 1
1 952 . 20 1 1 A 74 74 ALA CB C 71 19.064 18.435 0.629 1
1 953 . 20 1 1 A 74 74 ALA C C 71 176.255 177.945 -1.690 1
1 954 . 20 1 1 A 75 75 LEU N N 72 112.822 111.872 0.950 1
1 955 . 20 1 1 A 75 75 LEU H H 72 7.381 7.570 -0.189 1
1 956 . 20 1 1 A 75 75 LEU CA C 72 52.987 53.605 -0.618 1
1 957 . 20 1 1 A 75 75 LEU HA H 72 4.305 4.522 -0.217 1
1 958 . 20 1 1 A 75 75 LEU CB C 72 41.490 41.963 -0.473 1
1 971 . 20 1 1 A 75 75 LEU C C 72 175.867 175.932 -0.065 1
1 972 . 20 1 1 A 76 76 VAL N N 73 120.671 122.911 -2.240 1
1 973 . 20 1 1 A 76 76 VAL H H 73 6.797 8.105 -1.308 1
1 974 . 20 1 1 A 76 76 VAL CA C 73 62.994 60.447 2.547 1
1 975 . 20 1 1 A 76 76 VAL HA H 73 3.707 4.448 -0.741 1
1 976 . 20 1 1 A 76 76 VAL CB C 73 32.014 34.495 -2.481 1
1 986 . 20 1 1 A 76 76 VAL C C 73 176.144 175.663 0.481 1
1 987 . 20 1 1 A 77 77 VAL N N 74 128.303 125.805 2.498 1
1 988 . 20 1 1 A 77 77 VAL H H 74 8.407 8.537 -0.130 1
1 989 . 20 1 1 A 77 77 VAL CA C 74 64.673 65.412 -0.739 1
1 990 . 20 1 1 A 77 77 VAL HA H 74 3.651 3.570 0.081 1
1 991 . 20 1 1 A 77 77 VAL CB C 74 30.789 31.286 -0.497 1
1 1001 . 20 1 1 A 77 77 VAL C C 74 176.911 177.541 -0.630 1
1 1002 . 20 1 1 A 78 78 GLY N N 75 116.087 115.034 1.053 1
1 1003 . 20 1 1 A 78 78 GLY H H 75 8.827 9.013 -0.186 1
1 1004 . 20 1 1 A 78 78 GLY CA C 75 45.004 45.696 -0.692 1
1 1005 . 20 1 1 A 78 78 GLY HA2 H 75 4.236 3.930 0.306 1
1 1006 . 20 1 1 A 78 78 GLY HA3 H 75 3.738 3.930 -0.192 1
1 1007 . 20 1 1 A 78 78 GLY C C 75 173.779 174.360 -0.581 1
1 1008 . 20 1 1 A 79 79 LYS N N 76 121.612 120.919 0.693 1
1 1009 . 20 1 1 A 79 79 LYS H H 76 8.140 7.784 0.356 1
1 1010 . 20 1 1 A 79 79 LYS CA C 76 54.078 55.467 -1.389 1
1 1011 . 20 1 1 A 79 79 LYS HA H 76 4.588 4.564 0.024 1
1 1012 . 20 1 1 A 79 79 LYS CB C 76 32.708 33.564 -0.856 1
1 1024 . 20 1 1 A 79 79 LYS C C 76 175.177 175.671 -0.494 1
1 1025 . 20 1 1 A 80 80 SER N N 77 117.166 117.203 -0.037 1
1 1026 . 20 1 1 A 80 80 SER H H 77 8.241 7.668 0.573 1
1 1027 . 20 1 1 A 80 80 SER CA C 77 59.173 59.121 0.052 1
1 1028 . 20 1 1 A 80 80 SER HA H 77 4.356 4.457 -0.101 1
1 1029 . 20 1 1 A 80 80 SER CB C 77 63.288 64.152 -0.864 1
1 1032 . 20 1 1 A 80 80 SER C C 77 174.793 173.317 1.476 1
1 1033 . 20 1 1 A 81 81 ASP N N 78 118.775 121.531 -2.756 1
1 1034 . 20 1 1 A 81 81 ASP H H 78 8.506 8.697 -0.191 1
1 1035 . 20 1 1 A 81 81 ASP CA C 78 50.069 51.982 -1.913 1
1 1036 . 20 1 1 A 81 81 ASP HA H 78 5.423 4.746 0.677 1
1 1037 . 20 1 1 A 81 81 ASP CB C 78 41.498 41.131 0.367 1
1 1041 . 20 1 1 A 82 82 PRO CA C 79 63.656 64.240 -0.584 1
1 1042 . 20 1 1 A 82 82 PRO HA H 79 4.271 4.316 -0.045 1
1 1043 . 20 1 1 A 82 82 PRO CB C 79 31.303 31.740 -0.437 1
1 1051 . 20 1 1 A 82 82 PRO C C 79 178.645 177.872 0.773 1
1 1052 . 20 1 1 A 83 83 TYR N N 80 117.360 117.450 -0.090 1
1 1053 . 20 1 1 A 83 83 TYR H H 80 7.561 7.345 0.216 1
1 1054 . 20 1 1 A 83 83 TYR CA C 80 59.635 61.611 -1.976 1
1 1055 . 20 1 1 A 83 83 TYR HA H 80 4.163 4.305 -0.142 1
1 1056 . 20 1 1 A 83 83 TYR CB C 80 35.602 38.187 -2.585 1
1 1065 . 20 1 1 A 83 83 TYR C C 80 176.904 178.349 -1.445 1
1 1066 . 20 1 1 A 84 84 ARG N N 81 120.833 119.072 1.761 1
1 1067 . 20 1 1 A 84 84 ARG H H 81 7.898 8.197 -0.299 1
1 1068 . 20 1 1 A 84 84 ARG CA C 81 58.332 59.145 -0.813 1
1 1069 . 20 1 1 A 84 84 ARG HA H 81 4.615 3.893 0.722 1
1 1070 . 20 1 1 A 84 84 ARG CB C 81 28.242 29.747 -1.505 1
1 1071 . 20 1 1 A 84 84 ARG C C 81 176.940 179.289 -2.349 1
1 1072 . 20 1 1 A 85 85 VAL N N 82 117.345 119.940 -2.595 1
1 1073 . 20 1 1 A 85 85 VAL H H 82 6.971 8.173 -1.202 1
1 1074 . 20 1 1 A 85 85 VAL CA C 82 65.663 66.830 -1.167 1
1 1075 . 20 1 1 A 85 85 VAL HA H 82 3.417 3.544 -0.127 1
1 1076 . 20 1 1 A 85 85 VAL CB C 82 31.165 31.560 -0.395 1
1 1085 . 20 1 1 A 85 85 VAL C C 82 176.601 177.712 -1.111 1
1 1086 . 20 1 1 A 86 86 GLN N N 83 117.137 120.368 -3.231 1
1 1087 . 20 1 1 A 86 86 GLN H H 83 7.536 8.395 -0.859 1
1 1088 . 20 1 1 A 86 86 GLN CA C 83 58.230 58.448 -0.218 1
1 1089 . 20 1 1 A 86 86 GLN HA H 83 3.953 4.067 -0.114 1
1 1090 . 20 1 1 A 86 86 GLN CB C 83 28.240 28.714 -0.474 1
1 1099 . 20 1 1 A 86 86 GLN C C 83 178.602 178.116 0.486 1
1 1100 . 20 1 1 A 87 87 ALA N N 84 121.452 122.264 -0.812 1
1 1101 . 20 1 1 A 87 87 ALA H H 84 8.843 7.821 1.022 1
1 1102 . 20 1 1 A 87 87 ALA CA C 84 54.905 55.170 -0.265 1
1 1103 . 20 1 1 A 87 87 ALA HA H 84 4.048 4.167 -0.119 1
1 1107 . 20 1 1 A 87 87 ALA CB C 84 18.088 18.568 -0.480 1
1 1108 . 20 1 1 A 87 87 ALA C C 84 178.498 179.815 -1.317 1
1 1109 . 20 1 1 A 88 88 VAL N N 85 117.570 118.492 -0.922 1
1 1110 . 20 1 1 A 88 88 VAL H H 85 8.515 8.432 0.083 1
1 1111 . 20 1 1 A 88 88 VAL CA C 85 67.315 67.047 0.268 1
1 1112 . 20 1 1 A 88 88 VAL HA H 85 3.764 3.484 0.280 1
1 1113 . 20 1 1 A 88 88 VAL CB C 85 30.610 31.554 -0.944 1
1 1123 . 20 1 1 A 88 88 VAL C C 85 177.138 177.975 -0.837 1
1 1124 . 20 1 1 A 89 89 LYS N N 86 120.005 120.280 -0.275 1
1 1125 . 20 1 1 A 89 89 LYS H H 86 8.612 8.302 0.310 1
1 1126 . 20 1 1 A 89 89 LYS CA C 86 60.851 59.385 1.466 1
1 1127 . 20 1 1 A 89 89 LYS HA H 86 3.827 4.026 -0.199 1
1 1128 . 20 1 1 A 89 89 LYS CB C 86 31.974 32.263 -0.289 1
1 1140 . 20 1 1 A 89 89 LYS C C 86 178.096 178.597 -0.501 1
1 1141 . 20 1 1 A 90 90 PHE N N 87 119.839 120.537 -0.698 1
1 1142 . 20 1 1 A 90 90 PHE H H 87 8.184 8.188 -0.004 1
1 1143 . 20 1 1 A 90 90 PHE CA C 87 60.604 61.244 -0.640 1
1 1144 . 20 1 1 A 90 90 PHE HA H 87 4.302 4.204 0.098 1
1 1145 . 20 1 1 A 90 90 PHE CB C 87 38.349 39.380 -1.031 1
1 1154 . 20 1 1 A 90 90 PHE C C 87 177.748 177.852 -0.104 1
1 1155 . 20 1 1 A 91 91 LEU N N 88 118.977 119.724 -0.747 1
1 1156 . 20 1 1 A 91 91 LEU H H 88 8.604 8.596 0.008 1
1 1157 . 20 1 1 A 91 91 LEU CA C 88 58.058 58.544 -0.486 1
1 1158 . 20 1 1 A 91 91 LEU HA H 88 3.975 3.925 0.050 1
1 1159 . 20 1 1 A 91 91 LEU CB C 88 41.114 42.132 -1.018 1
1 1169 . 20 1 1 A 91 91 LEU C C 88 178.106 178.791 -0.685 1
1 1170 . 20 1 1 A 92 92 ILE N N 89 118.378 118.710 -0.332 1
1 1171 . 20 1 1 A 92 92 ILE H H 89 8.420 8.321 0.099 1
1 1172 . 20 1 1 A 92 92 ILE CA C 89 65.761 65.363 0.398 1
1 1173 . 20 1 1 A 92 92 ILE HA H 89 3.542 3.687 -0.145 1
1 1174 . 20 1 1 A 92 92 ILE CB C 89 37.372 37.490 -0.118 1
1 1184 . 20 1 1 A 92 92 ILE C C 89 176.952 179.315 -2.363 1
1 1185 . 20 1 1 A 93 93 GLU N N 90 120.262 122.283 -2.021 1
1 1186 . 20 1 1 A 93 93 GLU H H 90 8.133 8.197 -0.064 1
1 1187 . 20 1 1 A 93 93 GLU CA C 90 58.766 59.499 -0.733 1
1 1188 . 20 1 1 A 93 93 GLU HA H 90 4.038 4.032 0.006 1
1 1189 . 20 1 1 A 93 93 GLU CB C 90 28.466 29.300 -0.834 1
1 1195 . 20 1 1 A 93 93 GLU C C 90 178.689 179.450 -0.761 1
1 1196 . 20 1 1 A 94 94 ARG N N 91 117.630 118.827 -1.197 1
1 1197 . 20 1 1 A 94 94 ARG H H 91 7.952 8.270 -0.318 1
1 1198 . 20 1 1 A 94 94 ARG CA C 91 58.343 58.696 -0.353 1
1 1199 . 20 1 1 A 94 94 ARG HA H 91 3.941 4.146 -0.205 1
1 1200 . 20 1 1 A 94 94 ARG CB C 91 29.048 30.231 -1.183 1
1 1215 . 20 1 1 A 94 94 ARG C C 91 178.875 178.218 0.657 1
1 1216 . 20 1 1 A 95 95 ILE N N 92 120.056 121.000 -0.944 1
1 1217 . 20 1 1 A 95 95 ILE H H 92 8.225 7.915 0.310 1
1 1218 . 20 1 1 A 95 95 ILE CA C 92 63.296 64.881 -1.585 1
1 1219 . 20 1 1 A 95 95 ILE HA H 92 3.972 3.940 0.032 1
1 1220 . 20 1 1 A 95 95 ILE CB C 92 36.921 37.161 -0.240 1
1 1233 . 20 1 1 A 95 95 ILE C C 92 180.242 179.087 1.155 1
1 1234 . 20 1 1 A 96 96 ARG N N 93 121.023 120.388 0.635 1
1 1235 . 20 1 1 A 96 96 ARG H H 93 8.259 8.055 0.204 1
1 1236 . 20 1 1 A 96 96 ARG CA C 93 58.401 58.808 -0.407 1
1 1237 . 20 1 1 A 96 96 ARG HA H 93 4.068 4.218 -0.150 1
1 1238 . 20 1 1 A 96 96 ARG CB C 93 29.474 30.409 -0.935 1
1 1254 . 20 1 1 A 96 96 ARG C C 93 177.500 177.152 0.348 1
1 1255 . 20 1 1 A 97 97 LYS N N 94 116.750 117.553 -0.803 1
1 1256 . 20 1 1 A 97 97 LYS H H 94 7.527 7.653 -0.126 1
1 1257 . 20 1 1 A 97 97 LYS CA C 94 55.282 55.667 -0.385 1
1 1258 . 20 1 1 A 97 97 LYS HA H 94 4.274 4.402 -0.128 1
1 1259 . 20 1 1 A 97 97 LYS CB C 94 32.112 33.990 -1.878 1
1 1271 . 20 1 1 A 97 97 LYS C C 94 174.901 175.853 -0.952 1
1 1272 . 20 1 1 A 98 98 ASN N N 95 116.979 116.881 0.098 1
1 1273 . 20 1 1 A 98 98 ASN H H 95 8.150 8.051 0.099 1
1 1274 . 20 1 1 A 98 98 ASN CA C 95 53.822 54.027 -0.205 1
1 1275 . 20 1 1 A 98 98 ASN HA H 95 4.370 4.350 0.020 1
1 1276 . 20 1 1 A 98 98 ASN CB C 95 36.674 37.038 -0.364 1
1 1282 . 20 1 1 A 98 98 ASN C C 95 173.779 173.946 -0.167 1
1 1283 . 20 1 1 A 99 99 GLU N N 96 118.529 117.564 0.965 1
1 1284 . 20 1 1 A 99 99 GLU H H 96 8.236 8.014 0.222 1
1 1285 . 20 1 1 A 99 99 GLU CA C 96 52.891 53.257 -0.366 1
1 1286 . 20 1 1 A 99 99 GLU HA H 96 4.673 4.823 -0.150 1
1 1287 . 20 1 1 A 99 99 GLU CB C 96 30.358 32.562 -2.204 1
1 1292 . 20 1 1 A 100 100 PRO CA C 97 62.037 62.621 -0.584 1
1 1293 . 20 1 1 A 100 100 PRO HA H 97 4.272 4.609 -0.337 1
1 1294 . 20 1 1 A 100 100 PRO CB C 97 31.609 32.251 -0.642 1
1 1302 . 20 1 1 A 100 100 PRO C C 97 176.184 176.427 -0.243 1
1 1303 . 20 1 1 A 101 101 LEU N N 98 122.794 118.213 4.581 1
1 1304 . 20 1 1 A 101 101 LEU H H 98 8.832 8.336 0.496 1
1 1305 . 20 1 1 A 101 101 LEU CA C 98 52.524 51.496 1.028 1
1 1306 . 20 1 1 A 101 101 LEU HA H 98 4.654 4.913 -0.259 1
1 1307 . 20 1 1 A 101 101 LEU CB C 98 40.422 43.636 -3.214 1
1 1321 . 20 1 1 A 102 102 PRO CA C 99 61.075 62.131 -1.056 1
1 1322 . 20 1 1 A 102 102 PRO HA H 99 4.629 4.568 0.061 1
1 1323 . 20 1 1 A 102 102 PRO CB C 99 31.778 33.006 -1.228 1
1 1328 . 20 1 1 A 102 102 PRO C C 99 174.604 175.963 -1.359 1
1 1329 . 20 1 1 A 103 103 VAL N N 100 120.834 120.895 -0.061 1
1 1330 . 20 1 1 A 103 103 VAL H H 100 8.661 8.495 0.166 1
1 1331 . 20 1 1 A 103 103 VAL CA C 100 62.977 62.437 0.540 1
1 1332 . 20 1 1 A 103 103 VAL HA H 100 3.860 4.131 -0.271 1
1 1333 . 20 1 1 A 103 103 VAL CB C 100 31.731 31.866 -0.135 1
1 1342 . 20 1 1 A 103 103 VAL C C 100 177.396 176.556 0.840 1
1 1343 . 20 1 1 A 104 104 TYR N N 101 129.973 126.578 3.395 1
1 1344 . 20 1 1 A 104 104 TYR H H 101 8.487 9.164 -0.677 1
1 1345 . 20 1 1 A 104 104 TYR CA C 101 62.855 62.074 0.781 1
1 1346 . 20 1 1 A 104 104 TYR HA H 101 3.802 4.046 -0.244 1
1 1347 . 20 1 1 A 104 104 TYR CB C 101 38.429 38.928 -0.499 1
1 1356 . 20 1 1 A 104 104 TYR C C 101 175.877 177.512 -1.635 1
1 1357 . 20 1 1 A 105 105 LYS N N 102 117.165 119.129 -1.964 1
1 1358 . 20 1 1 A 105 105 LYS H H 102 8.848 8.227 0.621 1
1 1359 . 20 1 1 A 105 105 LYS CA C 102 59.343 59.549 -0.206 1
1 1360 . 20 1 1 A 105 105 LYS HA H 102 3.810 4.115 -0.305 1
1 1361 . 20 1 1 A 105 105 LYS CB C 102 31.739 32.237 -0.498 1
1 1373 . 20 1 1 A 105 105 LYS C C 102 177.370 178.111 -0.741 1
1 1374 . 20 1 1 A 106 106 ASP N N 103 117.011 120.180 -3.169 1
1 1375 . 20 1 1 A 106 106 ASP H H 103 6.781 8.171 -1.390 1
1 1376 . 20 1 1 A 106 106 ASP CA C 103 56.155 57.626 -1.471 1
1 1377 . 20 1 1 A 106 106 ASP HA H 103 4.454 4.252 0.202 1
1 1378 . 20 1 1 A 106 106 ASP CB C 103 39.467 41.668 -2.201 1
1 1381 . 20 1 1 A 106 106 ASP C C 103 178.180 178.123 0.057 1
1 1382 . 20 1 1 A 107 107 LEU N N 104 124.145 119.806 4.339 1
1 1383 . 20 1 1 A 107 107 LEU H H 104 7.687 8.347 -0.660 1
1 1384 . 20 1 1 A 107 107 LEU CA C 104 56.938 58.154 -1.216 1
1 1385 . 20 1 1 A 107 107 LEU HA H 104 4.000 3.945 0.055 1
1 1386 . 20 1 1 A 107 107 LEU CB C 104 41.707 41.694 0.013 1
1 1399 . 20 1 1 A 107 107 LEU C C 104 176.403 178.872 -2.469 1
1 1400 . 20 1 1 A 108 108 TRP N N 105 120.039 120.612 -0.573 1
1 1401 . 20 1 1 A 108 108 TRP H H 105 9.072 8.196 0.876 1
1 1402 . 20 1 1 A 108 108 TRP CA C 105 62.392 60.759 1.633 1
1 1403 . 20 1 1 A 108 108 TRP HA H 105 3.547 3.993 -0.446 1
1 1404 . 20 1 1 A 108 108 TRP CB C 105 28.316 29.173 -0.857 1
1 1415 . 20 1 1 A 108 108 TRP C C 105 176.983 177.887 -0.904 1
1 1416 . 20 1 1 A 109 109 ASN N N 106 113.557 116.361 -2.804 1
1 1417 . 20 1 1 A 109 109 ASN H H 106 8.058 8.350 -0.292 1
1 1418 . 20 1 1 A 109 109 ASN CA C 106 55.662 55.928 -0.266 1
1 1419 . 20 1 1 A 109 109 ASN HA H 106 3.994 3.819 0.175 1
1 1420 . 20 1 1 A 109 109 ASN CB C 106 37.973 37.501 0.472 1
1 1426 . 20 1 1 A 109 109 ASN C C 106 176.928 177.372 -0.444 1
1 1427 . 20 1 1 A 110 110 ALA N N 107 121.997 122.541 -0.544 1
1 1428 . 20 1 1 A 110 110 ALA H H 107 7.718 7.919 -0.201 1
1 1429 . 20 1 1 A 110 110 ALA CA C 107 54.261 55.066 -0.805 1
1 1430 . 20 1 1 A 110 110 ALA HA H 107 3.979 4.054 -0.075 1
1 1434 . 20 1 1 A 110 110 ALA CB C 107 17.322 18.439 -1.117 1
1 1435 . 20 1 1 A 110 110 ALA C C 107 180.452 180.115 0.337 1
1 1436 . 20 1 1 A 111 111 LEU N N 108 119.150 117.938 1.212 1
1 1437 . 20 1 1 A 111 111 LEU H H 108 8.200 8.483 -0.283 1
1 1438 . 20 1 1 A 111 111 LEU CA C 108 56.264 57.618 -1.354 1
1 1439 . 20 1 1 A 111 111 LEU HA H 108 3.857 4.069 -0.212 1
1 1440 . 20 1 1 A 111 111 LEU CB C 108 41.134 41.182 -0.048 1
1 1453 . 20 1 1 A 111 111 LEU C C 108 178.144 179.374 -1.230 1
1 1454 . 20 1 1 A 112 112 ARG N N 109 117.178 120.366 -3.188 1
1 1455 . 20 1 1 A 112 112 ARG H H 109 7.365 8.075 -0.710 1
1 1456 . 20 1 1 A 112 112 ARG CA C 109 56.443 59.655 -3.212 1
1 1457 . 20 1 1 A 112 112 ARG HA H 109 2.642 3.992 -1.350 1
1 1458 . 20 1 1 A 112 112 ARG CB C 109 28.901 29.614 -0.713 1
1 1469 . 20 1 1 A 112 112 ARG C C 109 176.348 178.540 -2.192 1
1 1470 . 20 1 1 A 113 113 LYS N N 110 118.628 117.826 0.802 1
1 1471 . 20 1 1 A 113 113 LYS H H 110 7.145 7.803 -0.658 1
1 1472 . 20 1 1 A 113 113 LYS CA C 110 56.410 57.328 -0.918 1
1 1473 . 20 1 1 A 113 113 LYS HA H 110 4.018 4.246 -0.228 1
1 1474 . 20 1 1 A 113 113 LYS CB C 110 32.091 33.188 -1.097 1
1 1486 . 20 1 1 A 113 113 LYS C C 110 176.164 176.664 -0.500 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 103 1.074 1
2 1 1 1 "RMS(OBS, PRED)" CA 110 1.282 1
3 1 1 1 "RMS(OBS, PRED)" CB 107 1.254 1
4 1 1 1 "RMS(OBS, PRED)" H 103 0.521 1
5 1 1 1 "RMS(OBS, PRED)" HA 113 0.283 1
6 1 1 1 "RMS(OBS, PRED)" N 103 2.797 1
7 1 2 1 "RMS(OBS, PRED)" C 103 1.086 1
8 1 2 1 "RMS(OBS, PRED)" CA 110 1.328 1
9 1 2 1 "RMS(OBS, PRED)" CB 107 1.175 1
10 1 2 1 "RMS(OBS, PRED)" H 103 0.541 1
11 1 2 1 "RMS(OBS, PRED)" HA 113 0.274 1
12 1 2 1 "RMS(OBS, PRED)" N 103 2.860 1
13 1 3 1 "RMS(OBS, PRED)" C 103 1.072 1
14 1 3 1 "RMS(OBS, PRED)" CA 110 1.246 1
15 1 3 1 "RMS(OBS, PRED)" CB 107 1.209 1
16 1 3 1 "RMS(OBS, PRED)" H 103 0.544 1
17 1 3 1 "RMS(OBS, PRED)" HA 113 0.266 1
18 1 3 1 "RMS(OBS, PRED)" N 103 2.752 1
19 1 4 1 "RMS(OBS, PRED)" C 103 1.062 1
20 1 4 1 "RMS(OBS, PRED)" CA 110 1.220 1
21 1 4 1 "RMS(OBS, PRED)" CB 107 1.191 1
22 1 4 1 "RMS(OBS, PRED)" H 103 0.517 1
23 1 4 1 "RMS(OBS, PRED)" HA 113 0.245 1
24 1 4 1 "RMS(OBS, PRED)" N 103 2.790 1
25 1 5 1 "RMS(OBS, PRED)" C 103 1.059 1
26 1 5 1 "RMS(OBS, PRED)" CA 110 1.240 1
27 1 5 1 "RMS(OBS, PRED)" CB 107 1.325 1
28 1 5 1 "RMS(OBS, PRED)" H 103 0.515 1
29 1 5 1 "RMS(OBS, PRED)" HA 113 0.270 1
30 1 5 1 "RMS(OBS, PRED)" N 103 2.712 1
31 1 6 1 "RMS(OBS, PRED)" C 103 1.103 1
32 1 6 1 "RMS(OBS, PRED)" CA 110 1.288 1
33 1 6 1 "RMS(OBS, PRED)" CB 107 1.252 1
34 1 6 1 "RMS(OBS, PRED)" H 103 0.521 1
35 1 6 1 "RMS(OBS, PRED)" HA 113 0.279 1
36 1 6 1 "RMS(OBS, PRED)" N 103 2.758 1
37 1 7 1 "RMS(OBS, PRED)" C 103 1.109 1
38 1 7 1 "RMS(OBS, PRED)" CA 110 1.305 1
39 1 7 1 "RMS(OBS, PRED)" CB 107 1.299 1
40 1 7 1 "RMS(OBS, PRED)" H 103 0.525 1
41 1 7 1 "RMS(OBS, PRED)" HA 113 0.288 1
42 1 7 1 "RMS(OBS, PRED)" N 103 2.706 1
43 1 8 1 "RMS(OBS, PRED)" C 103 1.125 1
44 1 8 1 "RMS(OBS, PRED)" CA 110 1.319 1
45 1 8 1 "RMS(OBS, PRED)" CB 107 1.240 1
46 1 8 1 "RMS(OBS, PRED)" H 103 0.501 1
47 1 8 1 "RMS(OBS, PRED)" HA 113 0.271 1
48 1 8 1 "RMS(OBS, PRED)" N 103 2.736 1
49 1 9 1 "RMS(OBS, PRED)" C 103 1.042 1
50 1 9 1 "RMS(OBS, PRED)" CA 110 1.276 1
51 1 9 1 "RMS(OBS, PRED)" CB 107 1.208 1
52 1 9 1 "RMS(OBS, PRED)" H 103 0.529 1
53 1 9 1 "RMS(OBS, PRED)" HA 113 0.275 1
54 1 9 1 "RMS(OBS, PRED)" N 103 2.642 1
55 1 10 1 "RMS(OBS, PRED)" C 103 1.065 1
56 1 10 1 "RMS(OBS, PRED)" CA 110 1.304 1
57 1 10 1 "RMS(OBS, PRED)" CB 107 1.228 1
58 1 10 1 "RMS(OBS, PRED)" H 103 0.538 1
59 1 10 1 "RMS(OBS, PRED)" HA 113 0.311 1
60 1 10 1 "RMS(OBS, PRED)" N 103 2.602 1
61 1 11 1 "RMS(OBS, PRED)" C 103 1.050 1
62 1 11 1 "RMS(OBS, PRED)" CA 110 1.253 1
63 1 11 1 "RMS(OBS, PRED)" CB 107 1.277 1
64 1 11 1 "RMS(OBS, PRED)" H 103 0.539 1
65 1 11 1 "RMS(OBS, PRED)" HA 113 0.268 1
66 1 11 1 "RMS(OBS, PRED)" N 103 2.772 1
67 1 12 1 "RMS(OBS, PRED)" C 103 1.065 1
68 1 12 1 "RMS(OBS, PRED)" CA 110 1.236 1
69 1 12 1 "RMS(OBS, PRED)" CB 107 1.314 1
70 1 12 1 "RMS(OBS, PRED)" H 103 0.546 1
71 1 12 1 "RMS(OBS, PRED)" HA 113 0.289 1
72 1 12 1 "RMS(OBS, PRED)" N 103 2.910 1
73 1 13 1 "RMS(OBS, PRED)" C 103 1.078 1
74 1 13 1 "RMS(OBS, PRED)" CA 110 1.295 1
75 1 13 1 "RMS(OBS, PRED)" CB 107 1.234 1
76 1 13 1 "RMS(OBS, PRED)" H 103 0.515 1
77 1 13 1 "RMS(OBS, PRED)" HA 113 0.278 1
78 1 13 1 "RMS(OBS, PRED)" N 103 2.705 1
79 1 14 1 "RMS(OBS, PRED)" C 103 1.118 1
80 1 14 1 "RMS(OBS, PRED)" CA 110 1.222 1
81 1 14 1 "RMS(OBS, PRED)" CB 107 1.248 1
82 1 14 1 "RMS(OBS, PRED)" H 103 0.549 1
83 1 14 1 "RMS(OBS, PRED)" HA 113 0.280 1
84 1 14 1 "RMS(OBS, PRED)" N 103 2.826 1
85 1 15 1 "RMS(OBS, PRED)" C 103 1.121 1
86 1 15 1 "RMS(OBS, PRED)" CA 110 1.360 1
87 1 15 1 "RMS(OBS, PRED)" CB 107 1.152 1
88 1 15 1 "RMS(OBS, PRED)" H 103 0.514 1
89 1 15 1 "RMS(OBS, PRED)" HA 113 0.281 1
90 1 15 1 "RMS(OBS, PRED)" N 103 2.911 1
91 1 16 1 "RMS(OBS, PRED)" C 103 1.067 1
92 1 16 1 "RMS(OBS, PRED)" CA 110 1.206 1
93 1 16 1 "RMS(OBS, PRED)" CB 107 1.210 1
94 1 16 1 "RMS(OBS, PRED)" H 103 0.539 1
95 1 16 1 "RMS(OBS, PRED)" HA 113 0.269 1
96 1 16 1 "RMS(OBS, PRED)" N 103 2.706 1
97 1 17 1 "RMS(OBS, PRED)" C 103 1.073 1
98 1 17 1 "RMS(OBS, PRED)" CA 110 1.329 1
99 1 17 1 "RMS(OBS, PRED)" CB 107 1.168 1
100 1 17 1 "RMS(OBS, PRED)" H 103 0.520 1
101 1 17 1 "RMS(OBS, PRED)" HA 113 0.283 1
102 1 17 1 "RMS(OBS, PRED)" N 103 2.645 1
103 1 18 1 "RMS(OBS, PRED)" C 103 1.071 1
104 1 18 1 "RMS(OBS, PRED)" CA 110 1.277 1
105 1 18 1 "RMS(OBS, PRED)" CB 107 1.123 1
106 1 18 1 "RMS(OBS, PRED)" H 103 0.511 1
107 1 18 1 "RMS(OBS, PRED)" HA 113 0.275 1
108 1 18 1 "RMS(OBS, PRED)" N 103 2.629 1
109 1 19 1 "RMS(OBS, PRED)" C 103 1.030 1
110 1 19 1 "RMS(OBS, PRED)" CA 110 1.239 1
111 1 19 1 "RMS(OBS, PRED)" CB 107 1.283 1
112 1 19 1 "RMS(OBS, PRED)" H 103 0.508 1
113 1 19 1 "RMS(OBS, PRED)" HA 113 0.291 1
114 1 19 1 "RMS(OBS, PRED)" N 103 2.645 1
115 1 20 1 "RMS(OBS, PRED)" C 103 1.017 1
116 1 20 1 "RMS(OBS, PRED)" CA 110 1.342 1
117 1 20 1 "RMS(OBS, PRED)" CB 107 1.237 1
118 1 20 1 "RMS(OBS, PRED)" H 103 0.539 1
119 1 20 1 "RMS(OBS, PRED)" HA 113 0.290 1
120 1 20 1 "RMS(OBS, PRED)" N 103 2.836 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 5 . 1 1 A 2 2 SER N N -2 115.414 116.294 -0.880 2
1 6 . 1 1 A 2 2 SER H H -2 8.737 8.445 0.292 2
1 7 . 1 1 A 2 2 SER CA C -2 57.710 58.800 -1.090 2
1 8 . 1 1 A 2 2 SER HA H -2 4.446 4.681 -0.235 2
1 9 . 1 1 A 2 2 SER CB C -2 63.365 65.550 -2.185 2
1 12 . 1 1 A 2 2 SER C C -2 173.826 174.167 -0.341 2
1 40 . 1 1 A 5 5 ILE N N 2 122.114 118.893 3.221 2
1 41 . 1 1 A 5 5 ILE H H 2 8.292 7.694 0.598 2
1 42 . 1 1 A 5 5 ILE CA C 2 60.568 60.448 0.120 2
1 43 . 1 1 A 5 5 ILE HA H 2 4.102 4.662 -0.560 2
1 44 . 1 1 A 5 5 ILE CB C 2 38.417 40.569 -2.152 2
1 57 . 1 1 A 5 5 ILE C C 2 174.970 174.432 0.538 2
1 58 . 1 1 A 6 6 ASN N N 3 122.794 121.886 0.908 2
1 59 . 1 1 A 6 6 ASN H H 3 8.636 8.644 -0.008 2
1 60 . 1 1 A 6 6 ASN CA C 3 52.274 52.926 -0.652 2
1 61 . 1 1 A 6 6 ASN HA H 3 4.712 5.229 -0.517 2
1 62 . 1 1 A 6 6 ASN CB C 3 38.194 42.048 -3.854 2
1 68 . 1 1 A 6 6 ASN C C 3 174.766 175.205 -0.439 2
1 69 . 1 1 A 7 7 LEU N N 4 123.220 124.959 -1.739 2
1 70 . 1 1 A 7 7 LEU H H 4 8.484 8.861 -0.377 2
1 71 . 1 1 A 7 7 LEU CA C 4 55.359 57.813 -2.454 2
1 72 . 1 1 A 7 7 LEU HA H 4 4.197 4.130 0.067 2
1 73 . 1 1 A 7 7 LEU CB C 4 41.461 41.830 -0.369 2
1 86 . 1 1 A 7 7 LEU C C 4 177.248 178.189 -0.941 2
1 87 . 1 1 A 8 8 GLU N N 5 119.354 117.968 1.386 2
1 88 . 1 1 A 8 8 GLU H H 5 8.455 7.909 0.546 2
1 89 . 1 1 A 8 8 GLU CA C 5 56.589 57.461 -0.872 2
1 90 . 1 1 A 8 8 GLU HA H 5 4.091 4.340 -0.249 2
1 91 . 1 1 A 8 8 GLU CB C 5 29.275 29.874 -0.599 2
1 97 . 1 1 A 8 8 GLU C C 5 175.981 176.487 -0.506 2
1 98 . 1 1 A 9 9 ASP N N 6 119.780 120.556 -0.776 2
1 99 . 1 1 A 9 9 ASP H H 6 8.136 8.275 -0.139 2
1 100 . 1 1 A 9 9 ASP CA C 6 53.931 53.577 0.354 2
1 101 . 1 1 A 9 9 ASP HA H 6 4.492 4.951 -0.459 2
1 102 . 1 1 A 9 9 ASP CB C 6 40.360 41.968 -1.608 2
1 105 . 1 1 A 9 9 ASP C C 6 175.397 175.699 -0.302 2
1 106 . 1 1 A 10 10 TYR N N 7 119.939 120.041 -0.102 2
1 107 . 1 1 A 10 10 TYR H H 7 7.902 7.901 0.001 2
1 108 . 1 1 A 10 10 TYR CA C 7 57.667 57.559 0.108 2
1 109 . 1 1 A 10 10 TYR HA H 7 4.431 4.805 -0.374 2
1 110 . 1 1 A 10 10 TYR CB C 7 38.236 39.510 -1.274 2
1 119 . 1 1 A 10 10 TYR C C 7 174.898 175.984 -1.086 2
1 120 . 1 1 A 11 11 TRP N N 8 122.648 121.335 1.313 2
1 121 . 1 1 A 11 11 TRP H H 8 7.917 8.048 -0.131 2
1 122 . 1 1 A 11 11 TRP CA C 8 56.562 58.608 -2.046 2
1 123 . 1 1 A 11 11 TRP HA H 8 4.578 4.514 0.064 2
1 124 . 1 1 A 11 11 TRP CB C 8 29.293 29.908 -0.615 2
1 139 . 1 1 A 11 11 TRP C C 8 175.212 175.909 -0.697 2
1 140 . 1 1 A 12 12 GLU N N 9 122.189 117.415 4.774 2
1 141 . 1 1 A 12 12 GLU H H 9 8.030 7.911 0.119 2
1 142 . 1 1 A 12 12 GLU CA C 9 55.743 56.040 -0.297 2
1 143 . 1 1 A 12 12 GLU HA H 9 4.137 4.583 -0.446 2
1 144 . 1 1 A 12 12 GLU CB C 9 30.001 30.940 -0.939 2
1 150 . 1 1 A 12 12 GLU C C 9 175.138 175.607 -0.469 2
1 151 . 1 1 A 13 13 ASP N N 10 121.099 123.332 -2.233 2
1 152 . 1 1 A 13 13 ASP H H 10 8.253 8.909 -0.656 2
1 153 . 1 1 A 13 13 ASP CA C 10 53.843 53.947 -0.104 2
1 154 . 1 1 A 13 13 ASP HA H 10 4.500 4.976 -0.476 2
1 155 . 1 1 A 13 13 ASP CB C 10 40.715 42.028 -1.313 2
1 158 . 1 1 A 13 13 ASP C C 10 175.700 175.872 -0.172 2
1 159 . 1 1 A 14 14 GLU N N 11 121.240 118.382 2.858 2
1 160 . 1 1 A 14 14 GLU H H 11 8.435 8.026 0.409 2
1 161 . 1 1 A 14 14 GLU CA C 11 55.858 55.948 -0.090 2
1 162 . 1 1 A 14 14 GLU HA H 11 4.289 4.428 -0.139 2
1 163 . 1 1 A 14 14 GLU CB C 11 29.758 29.671 0.087 2
1 169 . 1 1 A 14 14 GLU C C 11 176.002 175.458 0.544 2
1 170 . 1 1 A 15 15 THR N N 12 118.367 114.537 3.831 2
1 171 . 1 1 A 15 15 THR H H 12 8.407 7.540 0.867 2
1 172 . 1 1 A 15 15 THR CA C 12 59.646 59.350 0.296 2
1 173 . 1 1 A 15 15 THR HA H 12 4.503 4.571 -0.068 2
1 174 . 1 1 A 15 15 THR CB C 12 69.084 69.774 -0.690 2
1 181 . 1 1 A 16 16 PRO CA C 13 62.791 62.586 0.205 2
1 182 . 1 1 A 16 16 PRO HA H 13 4.408 4.535 -0.127 2
1 183 . 1 1 A 16 16 PRO CB C 13 31.771 33.201 -1.430 2
1 191 . 1 1 A 16 16 PRO C C 13 176.689 176.256 0.433 2
1 192 . 1 1 A 17 17 GLY N N 14 109.540 107.360 2.180 2
1 193 . 1 1 A 17 17 GLY H H 14 8.423 8.281 0.142 2
1 194 . 1 1 A 17 17 GLY CA C 14 44.219 45.498 -1.279 2
1 195 . 1 1 A 17 17 GLY HA2 H 14 4.010 4.194 -0.183 2
1 196 . 1 1 A 17 17 GLY HA3 H 14 4.159 4.197 -0.038 2
1 198 . 1 1 A 18 18 PRO CA C 15 62.843 62.719 0.124 2
1 199 . 1 1 A 18 18 PRO HA H 15 4.412 4.633 -0.221 2
1 200 . 1 1 A 18 18 PRO CB C 15 31.667 32.971 -1.304 2
1 208 . 1 1 A 18 18 PRO C C 15 176.447 175.976 0.471 2
1 209 . 1 1 A 19 19 ASP N N 16 119.197 121.056 -1.859 2
1 210 . 1 1 A 19 19 ASP H H 16 8.517 8.675 -0.158 2
1 211 . 1 1 A 19 19 ASP CA C 16 53.940 53.884 0.056 2
1 212 . 1 1 A 19 19 ASP HA H 16 4.559 4.851 -0.292 2
1 213 . 1 1 A 19 19 ASP CB C 16 40.180 41.433 -1.253 2
1 216 . 1 1 A 19 19 ASP C C 16 175.764 176.127 -0.363 2
1 217 . 1 1 A 20 20 ARG N N 17 120.435 118.143 2.292 2
1 218 . 1 1 A 20 20 ARG H H 17 8.201 7.951 0.250 2
1 219 . 1 1 A 20 20 ARG CA C 17 55.216 57.192 -1.976 2
1 220 . 1 1 A 20 20 ARG HA H 17 4.356 4.441 -0.085 2
1 221 . 1 1 A 20 20 ARG CB C 17 30.184 31.762 -1.578 2
1 237 . 1 1 A 20 20 ARG C C 17 175.724 175.727 -0.003 2
1 238 . 1 1 A 21 21 GLU N N 18 122.477 118.863 3.614 2
1 239 . 1 1 A 21 21 GLU H H 18 8.371 7.744 0.627 2
1 240 . 1 1 A 21 21 GLU CA C 18 53.658 54.881 -1.223 2
1 241 . 1 1 A 21 21 GLU HA H 18 4.657 4.482 0.175 2
1 242 . 1 1 A 21 21 GLU CB C 18 28.984 30.193 -1.209 2
1 249 . 1 1 A 22 22 PRO CA C 19 62.442 62.589 -0.147 2
1 250 . 1 1 A 22 22 PRO HA H 19 4.516 4.667 -0.151 2
1 251 . 1 1 A 22 22 PRO CB C 19 31.903 32.726 -0.823 2
1 259 . 1 1 A 22 22 PRO C C 19 176.323 175.698 0.625 2
1 260 . 1 1 A 23 23 THR N N 20 112.531 114.724 -2.193 2
1 261 . 1 1 A 23 23 THR H H 20 7.946 8.436 -0.490 2
1 262 . 1 1 A 23 23 THR CA C 20 60.521 60.587 -0.066 2
1 263 . 1 1 A 23 23 THR HA H 20 4.373 4.769 -0.396 2
1 264 . 1 1 A 23 23 THR CB C 20 70.238 71.720 -1.482 2
1 270 . 1 1 A 23 23 THR C C 20 174.678 174.923 -0.245 2
1 271 . 1 1 A 24 24 ASN N N 21 120.631 123.755 -3.124 2
1 272 . 1 1 A 24 24 ASN H H 21 8.958 9.129 -0.171 2
1 273 . 1 1 A 24 24 ASN CA C 21 54.854 57.035 -2.180 2
1 274 . 1 1 A 24 24 ASN HA H 21 4.467 4.330 0.137 2
1 275 . 1 1 A 24 24 ASN CB C 21 37.535 38.370 -0.835 2
1 281 . 1 1 A 24 24 ASN C C 21 176.397 177.157 -0.760 2
1 282 . 1 1 A 25 25 GLU N N 22 120.237 118.955 1.282 2
1 283 . 1 1 A 25 25 GLU H H 22 8.644 8.226 0.418 2
1 284 . 1 1 A 25 25 GLU CA C 22 59.195 59.018 0.177 2
1 285 . 1 1 A 25 25 GLU HA H 22 4.076 4.129 -0.053 2
1 286 . 1 1 A 25 25 GLU CB C 22 28.567 29.346 -0.779 2
1 292 . 1 1 A 25 25 GLU C C 22 177.942 178.765 -0.823 2
1 293 . 1 1 A 26 26 LEU N N 23 122.376 121.637 0.739 2
1 294 . 1 1 A 26 26 LEU H H 23 8.109 8.043 0.066 2
1 295 . 1 1 A 26 26 LEU CA C 23 56.940 58.143 -1.203 2
1 296 . 1 1 A 26 26 LEU HA H 23 4.247 3.996 0.251 2
1 297 . 1 1 A 26 26 LEU CB C 23 40.425 41.844 -1.419 2
1 310 . 1 1 A 26 26 LEU C C 23 178.298 178.336 -0.038 2
1 311 . 1 1 A 27 27 ARG N N 24 118.606 118.298 0.308 2
1 312 . 1 1 A 27 27 ARG H H 24 8.225 8.227 -0.002 2
1 313 . 1 1 A 27 27 ARG CA C 24 59.892 58.925 0.967 2
1 314 . 1 1 A 27 27 ARG HA H 24 3.875 4.039 -0.164 2
1 315 . 1 1 A 27 27 ARG CB C 24 28.853 29.734 -0.881 2
1 331 . 1 1 A 27 27 ARG C C 24 178.374 178.564 -0.190 2
1 332 . 1 1 A 28 28 ASN N N 25 117.812 118.483 -0.671 2
1 333 . 1 1 A 28 28 ASN H H 25 8.146 8.279 -0.133 2
1 334 . 1 1 A 28 28 ASN CA C 25 55.753 56.417 -0.664 2
1 335 . 1 1 A 28 28 ASN HA H 25 4.452 4.449 0.003 2
1 336 . 1 1 A 28 28 ASN CB C 25 37.388 38.848 -1.460 2
1 342 . 1 1 A 28 28 ASN C C 25 177.043 177.877 -0.834 2
1 343 . 1 1 A 29 29 GLU N N 26 121.177 118.259 2.918 2
1 344 . 1 1 A 29 29 GLU H H 26 8.247 8.496 -0.249 2
1 345 . 1 1 A 29 29 GLU CA C 26 58.897 59.129 -0.232 2
1 346 . 1 1 A 29 29 GLU HA H 26 4.075 4.083 -0.008 2
1 347 . 1 1 A 29 29 GLU CB C 26 29.202 29.508 -0.306 2
1 353 . 1 1 A 29 29 GLU C C 26 180.215 179.655 0.560 2
1 354 . 1 1 A 30 30 VAL N N 27 123.509 121.350 2.159 2
1 355 . 1 1 A 30 30 VAL H H 27 8.793 7.929 0.864 2
1 356 . 1 1 A 30 30 VAL CA C 27 68.051 66.752 1.299 2
1 357 . 1 1 A 30 30 VAL HA H 27 3.413 3.663 -0.250 2
1 358 . 1 1 A 30 30 VAL CB C 27 31.196 31.615 -0.419 2
1 368 . 1 1 A 30 30 VAL C C 27 176.589 177.896 -1.307 2
1 369 . 1 1 A 31 31 GLU N N 28 119.159 118.812 0.347 2
1 370 . 1 1 A 31 31 GLU H H 28 8.042 8.469 -0.427 2
1 371 . 1 1 A 31 31 GLU CA C 28 59.379 59.760 -0.381 2
1 372 . 1 1 A 31 31 GLU HA H 28 3.946 3.966 -0.020 2
1 373 . 1 1 A 31 31 GLU CB C 28 28.603 29.270 -0.667 2
1 379 . 1 1 A 31 31 GLU C C 28 179.282 179.163 0.119 2
1 380 . 1 1 A 32 32 GLU N N 29 118.871 119.953 -1.082 2
1 381 . 1 1 A 32 32 GLU H H 29 8.550 8.150 0.400 2
1 382 . 1 1 A 32 32 GLU CA C 29 58.770 59.243 -0.473 2
1 383 . 1 1 A 32 32 GLU HA H 29 4.056 4.085 -0.029 2
1 384 . 1 1 A 32 32 GLU CB C 29 29.214 29.557 -0.343 2
1 390 . 1 1 A 32 32 GLU C C 29 178.791 178.803 -0.012 2
1 391 . 1 1 A 33 33 THR N N 30 117.719 114.875 2.844 2
1 392 . 1 1 A 33 33 THR H H 30 8.205 8.239 -0.034 2
1 393 . 1 1 A 33 33 THR CA C 30 67.465 66.359 1.106 2
1 394 . 1 1 A 33 33 THR HA H 30 3.816 4.008 -0.192 2
1 395 . 1 1 A 33 33 THR CB C 30 66.888 68.226 -1.338 2
1 401 . 1 1 A 33 33 THR C C 30 175.681 177.238 -1.557 2
1 402 . 1 1 A 34 34 ILE N N 31 123.925 122.445 1.480 2
1 403 . 1 1 A 34 34 ILE H H 31 8.698 8.135 0.563 2
1 404 . 1 1 A 34 34 ILE CA C 31 66.438 64.628 1.810 2
1 405 . 1 1 A 34 34 ILE HA H 31 3.442 3.720 -0.278 2
1 406 . 1 1 A 34 34 ILE CB C 31 37.311 37.388 -0.077 2
1 416 . 1 1 A 34 34 ILE C C 31 176.731 178.141 -1.410 2
1 417 . 1 1 A 35 35 THR N N 32 116.478 118.292 -1.814 2
1 418 . 1 1 A 35 35 THR H H 32 7.956 8.105 -0.149 2
1 419 . 1 1 A 35 35 THR CA C 32 66.447 67.150 -0.703 2
1 420 . 1 1 A 35 35 THR HA H 32 3.929 3.959 -0.030 2
1 421 . 1 1 A 35 35 THR CB C 32 67.964 67.954 0.010 2
1 427 . 1 1 A 35 35 THR C C 32 176.226 176.690 -0.464 2
1 428 . 1 1 A 36 36 LEU N N 33 119.834 120.324 -0.490 2
1 429 . 1 1 A 36 36 LEU H H 33 7.663 8.052 -0.389 2
1 430 . 1 1 A 36 36 LEU CA C 33 57.274 57.704 -0.430 2
1 431 . 1 1 A 36 36 LEU HA H 33 4.075 4.046 0.029 2
1 432 . 1 1 A 36 36 LEU CB C 33 42.188 41.413 0.775 2
1 445 . 1 1 A 36 36 LEU C C 33 179.412 179.542 -0.130 2
1 446 . 1 1 A 37 37 MET N N 34 119.993 118.006 1.987 2
1 447 . 1 1 A 37 37 MET H H 34 8.509 8.497 0.012 2
1 448 . 1 1 A 37 37 MET CA C 34 57.865 58.004 -0.139 2
1 449 . 1 1 A 37 37 MET HA H 34 3.865 4.198 -0.333 2
1 450 . 1 1 A 37 37 MET CB C 34 28.735 32.346 -3.611 2
1 460 . 1 1 A 37 37 MET C C 34 178.772 178.194 0.578 2
1 461 . 1 1 A 38 38 GLU N N 35 120.011 120.516 -0.505 2
1 462 . 1 1 A 38 38 GLU H H 35 8.321 8.284 0.037 2
1 463 . 1 1 A 38 38 GLU CA C 35 58.442 58.908 -0.466 2
1 464 . 1 1 A 38 38 GLU HA H 35 3.928 4.076 -0.148 2
1 465 . 1 1 A 38 38 GLU CB C 35 28.943 29.580 -0.637 2
1 471 . 1 1 A 38 38 GLU C C 35 176.040 177.817 -1.777 2
1 472 . 1 1 A 39 39 LEU N N 36 118.349 117.757 0.592 2
1 473 . 1 1 A 39 39 LEU H H 36 7.441 7.322 0.119 2
1 474 . 1 1 A 39 39 LEU CA C 36 54.614 54.097 0.517 2
1 475 . 1 1 A 39 39 LEU HA H 36 4.393 4.495 -0.102 2
1 476 . 1 1 A 39 39 LEU CB C 36 42.210 41.386 0.824 2
1 489 . 1 1 A 39 39 LEU C C 36 178.113 176.466 1.647 2
1 490 . 1 1 A 40 40 LEU N N 37 118.362 121.965 -3.603 2
1 491 . 1 1 A 40 40 LEU H H 37 7.464 7.421 0.043 2
1 492 . 1 1 A 40 40 LEU CA C 37 54.659 55.687 -1.028 2
1 493 . 1 1 A 40 40 LEU HA H 37 4.400 4.202 0.198 2
1 494 . 1 1 A 40 40 LEU CB C 37 40.993 42.393 -1.400 2
1 507 . 1 1 A 40 40 LEU C C 37 177.827 176.207 1.620 2
1 508 . 1 1 A 41 41 LYS N N 38 120.851 122.253 -1.402 2
1 509 . 1 1 A 41 41 LYS H H 38 9.254 8.351 0.903 2
1 510 . 1 1 A 41 41 LYS CA C 38 54.727 54.509 0.218 2
1 511 . 1 1 A 41 41 LYS HA H 38 4.572 4.718 -0.146 2
1 512 . 1 1 A 41 41 LYS CB C 38 33.768 34.656 -0.888 2
1 524 . 1 1 A 41 41 LYS C C 38 177.911 177.702 0.209 2
1 525 . 1 1 A 42 42 VAL N N 39 122.215 119.771 2.444 2
1 526 . 1 1 A 42 42 VAL H H 39 9.039 8.741 0.298 2
1 527 . 1 1 A 42 42 VAL CA C 39 67.408 65.348 2.060 2
1 528 . 1 1 A 42 42 VAL HA H 39 3.699 3.712 -0.013 2
1 529 . 1 1 A 42 42 VAL CB C 39 31.056 31.672 -0.616 2
1 539 . 1 1 A 42 42 VAL C C 39 176.560 177.628 -1.068 2
1 540 . 1 1 A 43 43 SER N N 40 114.377 117.086 -2.709 2
1 541 . 1 1 A 43 43 SER H H 40 8.686 8.126 0.560 2
1 542 . 1 1 A 43 43 SER CA C 40 61.144 61.682 -0.538 2
1 543 . 1 1 A 43 43 SER HA H 40 3.933 4.061 -0.128 2
1 544 . 1 1 A 43 43 SER CB C 40 60.933 62.878 -1.945 2
1 547 . 1 1 A 43 43 SER C C 40 175.910 177.063 -1.153 2
1 548 . 1 1 A 44 44 GLU N N 41 122.833 121.857 0.976 2
1 549 . 1 1 A 44 44 GLU H H 41 6.661 7.877 -1.216 2
1 550 . 1 1 A 44 44 GLU CA C 41 57.315 59.173 -1.858 2
1 551 . 1 1 A 44 44 GLU HA H 41 4.363 4.067 0.296 2
1 552 . 1 1 A 44 44 GLU CB C 41 30.399 29.533 0.866 2
1 558 . 1 1 A 44 44 GLU C C 41 178.185 179.292 -1.107 2
1 559 . 1 1 A 45 45 LEU N N 42 119.110 120.369 -1.259 2
1 560 . 1 1 A 45 45 LEU H H 42 8.393 8.576 -0.183 2
1 561 . 1 1 A 45 45 LEU CA C 42 57.359 57.708 -0.349 2
1 562 . 1 1 A 45 45 LEU HA H 42 3.918 3.915 0.003 2
1 563 . 1 1 A 45 45 LEU CB C 42 42.476 41.608 0.868 2
1 576 . 1 1 A 45 45 LEU C C 42 179.735 179.157 0.578 2
1 577 . 1 1 A 46 46 LYS N N 43 118.025 118.292 -0.267 2
1 578 . 1 1 A 46 46 LYS H H 43 8.596 8.186 0.410 2
1 579 . 1 1 A 46 46 LYS CA C 43 60.844 60.158 0.686 2
1 580 . 1 1 A 46 46 LYS HA H 43 3.816 3.897 -0.081 2
1 581 . 1 1 A 46 46 LYS CB C 43 31.918 32.213 -0.295 2
1 593 . 1 1 A 46 46 LYS C C 43 177.672 178.992 -1.320 2
1 594 . 1 1 A 47 47 ASP N N 44 119.267 119.601 -0.334 2
1 595 . 1 1 A 47 47 ASP H H 44 7.448 8.178 -0.730 2
1 596 . 1 1 A 47 47 ASP CA C 44 57.422 57.363 0.059 2
1 597 . 1 1 A 47 47 ASP HA H 44 4.555 4.363 0.192 2
1 598 . 1 1 A 47 47 ASP CB C 44 39.264 40.838 -1.574 2
1 601 . 1 1 A 47 47 ASP C C 44 179.284 178.911 0.373 2
1 602 . 1 1 A 48 48 ILE N N 45 120.817 119.179 1.638 2
1 603 . 1 1 A 48 48 ILE H H 45 7.871 8.129 -0.258 2
1 604 . 1 1 A 48 48 ILE CA C 45 64.604 65.338 -0.734 2
1 605 . 1 1 A 48 48 ILE HA H 45 3.653 3.588 0.065 2
1 606 . 1 1 A 48 48 ILE CB C 45 36.293 38.206 -1.913 2
1 619 . 1 1 A 48 48 ILE C C 45 177.180 177.523 -0.343 2
1 620 . 1 1 A 49 49 CYS N N 46 117.775 119.717 -1.942 2
1 621 . 1 1 A 49 49 CYS H H 46 8.543 8.371 0.172 2
1 622 . 1 1 A 49 49 CYS CA C 46 64.971 63.438 1.533 2
1 623 . 1 1 A 49 49 CYS HA H 46 3.852 3.953 -0.101 2
1 624 . 1 1 A 49 49 CYS CB C 46 25.872 26.786 -0.914 2
1 627 . 1 1 A 49 49 CYS C C 46 176.288 177.162 -0.874 2
1 628 . 1 1 A 50 50 ARG N N 47 118.702 121.996 -3.294 2
1 629 . 1 1 A 50 50 ARG H H 47 8.626 8.040 0.586 2
1 630 . 1 1 A 50 50 ARG CA C 47 58.983 59.229 -0.246 2
1 631 . 1 1 A 50 50 ARG HA H 47 4.058 4.092 -0.034 2
1 632 . 1 1 A 50 50 ARG CB C 47 29.512 30.185 -0.673 2
1 648 . 1 1 A 50 50 ARG C C 47 179.270 178.164 1.106 2
1 649 . 1 1 A 51 51 SER N N 48 114.502 114.552 -0.050 2
1 650 . 1 1 A 51 51 SER H H 48 7.514 8.058 -0.544 2
1 651 . 1 1 A 51 51 SER CA C 48 61.745 61.616 0.129 2
1 652 . 1 1 A 51 51 SER HA H 48 4.308 4.221 0.087 2
1 653 . 1 1 A 51 51 SER CB C 48 62.780 63.082 -0.302 2
1 656 . 1 1 A 51 51 SER C C 48 176.764 176.776 -0.012 2
1 657 . 1 1 A 52 52 VAL N N 49 113.832 120.099 -6.267 2
1 658 . 1 1 A 52 52 VAL H H 49 7.511 7.955 -0.444 2
1 659 . 1 1 A 52 52 VAL CA C 49 60.751 62.973 -2.222 2
1 660 . 1 1 A 52 52 VAL HA H 49 3.760 3.684 0.076 2
1 661 . 1 1 A 52 52 VAL CB C 49 30.719 31.455 -0.736 2
1 671 . 1 1 A 52 52 VAL C C 49 173.462 175.109 -1.647 2
1 672 . 1 1 A 53 53 SER N N 50 112.698 115.406 -2.708 2
1 673 . 1 1 A 53 53 SER H H 50 7.653 7.987 -0.334 2
1 674 . 1 1 A 53 53 SER CA C 50 59.025 59.665 -0.640 2
1 675 . 1 1 A 53 53 SER HA H 50 3.911 4.131 -0.220 2
1 676 . 1 1 A 53 53 SER CB C 50 60.895 61.449 -0.554 2
1 679 . 1 1 A 53 53 SER C C 50 174.065 173.457 0.608 2
1 680 . 1 1 A 54 54 PHE N N 51 120.132 120.362 -0.230 2
1 681 . 1 1 A 54 54 PHE H H 51 8.332 7.843 0.489 2
1 682 . 1 1 A 54 54 PHE CA C 51 51.743 56.663 -4.920 2
1 683 . 1 1 A 54 54 PHE HA H 51 5.171 4.511 0.660 2
1 684 . 1 1 A 54 54 PHE CB C 51 37.762 38.828 -1.066 2
1 696 . 1 1 A 55 55 PRO CA C 52 62.176 62.623 -0.447 2
1 697 . 1 1 A 55 55 PRO HA H 52 4.417 4.674 -0.257 2
1 698 . 1 1 A 55 55 PRO CB C 52 31.347 31.573 -0.226 2
1 706 . 1 1 A 55 55 PRO C C 52 176.296 176.984 -0.688 2
1 707 . 1 1 A 56 56 VAL N N 53 109.933 125.173 -15.240 2
1 708 . 1 1 A 56 56 VAL H H 53 7.986 8.823 -0.837 2
1 709 . 1 1 A 56 56 VAL CA C 53 59.863 62.284 -2.421 2
1 710 . 1 1 A 56 56 VAL HA H 53 4.404 4.379 0.025 2
1 711 . 1 1 A 56 56 VAL CB C 53 31.483 32.113 -0.630 2
1 721 . 1 1 A 56 56 VAL C C 53 175.074 176.403 -1.329 2
1 722 . 1 1 A 57 57 SER N N 54 114.614 117.180 -2.566 2
1 723 . 1 1 A 57 57 SER H H 54 7.304 7.961 -0.657 2
1 724 . 1 1 A 57 57 SER CA C 54 57.295 59.758 -2.463 2
1 725 . 1 1 A 57 57 SER HA H 54 4.363 4.467 -0.104 2
1 726 . 1 1 A 57 57 SER CB C 54 63.351 63.328 0.023 2
1 729 . 1 1 A 57 57 SER C C 54 174.225 175.370 -1.145 2
1 730 . 1 1 A 58 58 GLY N N 55 110.300 109.933 0.367 2
1 731 . 1 1 A 58 58 GLY H H 55 8.545 7.869 0.676 2
1 732 . 1 1 A 58 58 GLY CA C 55 43.806 44.760 -0.953 2
1 733 . 1 1 A 58 58 GLY HA2 H 55 4.009 3.982 0.027 2
1 734 . 1 1 A 58 58 GLY HA3 H 55 3.715 3.987 -0.272 2
1 735 . 1 1 A 58 58 GLY C C 55 172.483 173.379 -0.895 2
1 736 . 1 1 A 59 59 ARG N N 56 116.392 120.032 -3.640 2
1 737 . 1 1 A 59 59 ARG H H 56 7.913 8.384 -0.471 2
1 738 . 1 1 A 59 59 ARG CA C 56 54.769 54.321 0.448 2
1 739 . 1 1 A 59 59 ARG HA H 56 4.371 4.855 -0.484 2
1 740 . 1 1 A 59 59 ARG CB C 56 30.447 33.185 -2.738 2
1 752 . 1 1 A 59 59 ARG C C 56 176.019 176.186 -0.167 2
1 753 . 1 1 A 60 60 LYS N N 57 122.009 119.911 2.098 2
1 754 . 1 1 A 60 60 LYS H H 57 8.811 8.887 -0.076 2
1 755 . 1 1 A 60 60 LYS CA C 57 61.236 59.266 1.970 2
1 756 . 1 1 A 60 60 LYS HA H 57 3.606 4.006 -0.400 2
1 757 . 1 1 A 60 60 LYS CB C 57 32.419 31.981 0.438 2
1 769 . 1 1 A 60 60 LYS C C 57 176.824 178.443 -1.619 2
1 770 . 1 1 A 61 61 ALA N N 58 116.880 121.800 -4.920 2
1 771 . 1 1 A 61 61 ALA H H 58 8.794 7.872 0.922 2
1 772 . 1 1 A 61 61 ALA CA C 58 54.617 55.145 -0.528 2
1 773 . 1 1 A 61 61 ALA HA H 58 4.129 4.238 -0.109 2
1 777 . 1 1 A 61 61 ALA CB C 58 18.103 18.361 -0.258 2
1 778 . 1 1 A 61 61 ALA C C 58 179.574 180.093 -0.519 2
1 779 . 1 1 A 62 62 VAL N N 59 117.408 118.507 -1.099 2
1 780 . 1 1 A 62 62 VAL H H 59 7.047 7.846 -0.799 2
1 781 . 1 1 A 62 62 VAL CA C 59 64.864 67.004 -2.140 2
1 782 . 1 1 A 62 62 VAL HA H 59 3.701 3.519 0.182 2
1 783 . 1 1 A 62 62 VAL CB C 59 31.301 31.434 -0.133 2
1 793 . 1 1 A 62 62 VAL C C 59 178.103 178.234 -0.131 2
1 794 . 1 1 A 63 63 LEU N N 60 119.573 119.581 -0.008 2
1 795 . 1 1 A 63 63 LEU H H 60 7.585 8.255 -0.670 2
1 796 . 1 1 A 63 63 LEU CA C 60 57.571 58.246 -0.675 2
1 797 . 1 1 A 63 63 LEU HA H 60 3.923 3.868 0.055 2
1 798 . 1 1 A 63 63 LEU CB C 60 41.711 41.644 0.067 2
1 810 . 1 1 A 63 63 LEU C C 60 178.692 178.994 -0.302 2
1 811 . 1 1 A 64 64 GLN N N 61 114.206 117.290 -3.084 2
1 812 . 1 1 A 64 64 GLN H H 61 8.373 8.561 -0.188 2
1 813 . 1 1 A 64 64 GLN CA C 61 58.039 58.442 -0.403 2
1 814 . 1 1 A 64 64 GLN HA H 61 4.090 4.032 0.058 2
1 815 . 1 1 A 64 64 GLN CB C 61 28.670 28.466 0.204 2
1 821 . 1 1 A 64 64 GLN C C 61 178.207 177.362 0.845 2
1 822 . 1 1 A 65 65 ASP N N 62 118.671 120.331 -1.660 2
1 823 . 1 1 A 65 65 ASP H H 62 7.973 7.881 0.092 2
1 824 . 1 1 A 65 65 ASP CA C 62 56.961 57.386 -0.425 2
1 825 . 1 1 A 65 65 ASP HA H 62 4.353 4.469 -0.116 2
1 826 . 1 1 A 65 65 ASP CB C 62 39.856 40.655 -0.799 2
1 829 . 1 1 A 65 65 ASP C C 62 178.113 179.000 -0.887 2
1 830 . 1 1 A 66 66 LEU N N 63 119.708 120.735 -1.027 2
1 831 . 1 1 A 66 66 LEU H H 63 7.970 8.150 -0.180 2
1 832 . 1 1 A 66 66 LEU CA C 63 57.549 57.998 -0.448 2
1 833 . 1 1 A 66 66 LEU HA H 63 3.838 4.016 -0.178 2
1 834 . 1 1 A 66 66 LEU CB C 63 41.235 42.019 -0.784 2
1 847 . 1 1 A 66 66 LEU C C 63 180.041 179.127 0.914 2
1 848 . 1 1 A 67 67 ILE N N 64 118.309 119.452 -1.143 2
1 849 . 1 1 A 67 67 ILE H H 64 7.555 8.074 -0.519 2
1 850 . 1 1 A 67 67 ILE CA C 64 63.895 65.200 -1.305 2
1 851 . 1 1 A 67 67 ILE HA H 64 3.794 3.534 0.260 2
1 852 . 1 1 A 67 67 ILE CB C 64 37.181 37.540 -0.359 2
1 865 . 1 1 A 67 67 ILE C C 64 176.949 178.081 -1.132 2
1 866 . 1 1 A 68 68 ARG N N 65 122.359 120.578 1.781 2
1 867 . 1 1 A 68 68 ARG H H 65 9.489 8.309 1.180 2
1 868 . 1 1 A 68 68 ARG CA C 65 60.488 59.962 0.526 2
1 869 . 1 1 A 68 68 ARG HA H 65 3.692 3.910 -0.218 2
1 870 . 1 1 A 68 68 ARG CB C 65 29.897 30.210 -0.313 2
1 880 . 1 1 A 68 68 ARG C C 65 177.728 179.051 -1.323 2
1 881 . 1 1 A 69 69 ASN N N 66 116.248 116.560 -0.312 2
1 882 . 1 1 A 69 69 ASN H H 66 8.546 8.476 0.070 2
1 883 . 1 1 A 69 69 ASN CA C 66 55.945 56.335 -0.390 2
1 884 . 1 1 A 69 69 ASN HA H 66 4.391 4.472 -0.081 2
1 885 . 1 1 A 69 69 ASN CB C 66 37.828 37.981 -0.153 2
1 891 . 1 1 A 69 69 ASN C C 66 176.520 178.437 -1.917 2
1 892 . 1 1 A 70 70 PHE N N 67 121.134 119.713 1.421 2
1 893 . 1 1 A 70 70 PHE H H 67 7.693 8.210 -0.517 2
1 894 . 1 1 A 70 70 PHE CA C 67 60.170 60.742 -0.572 2
1 895 . 1 1 A 70 70 PHE HA H 67 4.535 4.307 0.228 2
1 896 . 1 1 A 70 70 PHE CB C 67 39.838 39.013 0.825 2
1 902 . 1 1 A 70 70 PHE C C 67 177.756 178.270 -0.514 2
1 903 . 1 1 A 71 71 LEU N N 68 117.959 119.611 -1.652 2
1 904 . 1 1 A 71 71 LEU H H 68 8.336 8.555 -0.219 2
1 905 . 1 1 A 71 71 LEU CA C 68 57.468 57.949 -0.481 2
1 906 . 1 1 A 71 71 LEU HA H 68 3.828 3.989 -0.161 2
1 907 . 1 1 A 71 71 LEU CB C 68 42.156 41.469 0.687 2
1 919 . 1 1 A 71 71 LEU C C 68 178.037 179.179 -1.142 2
1 920 . 1 1 A 72 72 GLN N N 69 117.479 118.173 -0.694 2
1 921 . 1 1 A 72 72 GLN H H 69 8.802 8.242 0.560 2
1 922 . 1 1 A 72 72 GLN CA C 69 58.632 59.119 -0.487 2
1 923 . 1 1 A 72 72 GLN HA H 69 3.906 4.073 -0.167 2
1 924 . 1 1 A 72 72 GLN CB C 69 27.010 28.217 -1.207 2
1 933 . 1 1 A 72 72 GLN C C 69 179.337 177.963 1.374 2
1 934 . 1 1 A 73 73 ASN N N 70 117.551 117.089 0.462 2
1 935 . 1 1 A 73 73 ASN H H 70 8.124 8.267 -0.143 2
1 936 . 1 1 A 73 73 ASN CA C 70 54.051 55.332 -1.281 2
1 937 . 1 1 A 73 73 ASN HA H 70 4.602 4.510 0.092 2
1 938 . 1 1 A 73 73 ASN CB C 70 37.810 38.284 -0.474 2
1 944 . 1 1 A 73 73 ASN C C 70 175.490 177.759 -2.269 2
1 945 . 1 1 A 74 74 ALA N N 71 120.962 120.690 0.272 2
1 946 . 1 1 A 74 74 ALA H H 71 7.787 7.715 0.072 2
1 947 . 1 1 A 74 74 ALA CA C 71 53.143 54.195 -1.052 2
1 948 . 1 1 A 74 74 ALA HA H 71 4.193 4.133 0.060 2
1 952 . 1 1 A 74 74 ALA CB C 71 19.064 18.496 0.568 2
1 953 . 1 1 A 74 74 ALA C C 71 176.255 178.050 -1.795 2
1 954 . 1 1 A 75 75 LEU N N 72 112.822 112.378 0.444 2
1 955 . 1 1 A 75 75 LEU H H 72 7.381 7.567 -0.186 2
1 956 . 1 1 A 75 75 LEU CA C 72 52.987 53.758 -0.771 2
1 957 . 1 1 A 75 75 LEU HA H 72 4.305 4.548 -0.243 2
1 958 . 1 1 A 75 75 LEU CB C 72 41.490 41.918 -0.428 2
1 971 . 1 1 A 75 75 LEU C C 72 175.867 175.936 -0.069 2
1 972 . 1 1 A 76 76 VAL N N 73 120.671 121.577 -0.906 2
1 973 . 1 1 A 76 76 VAL H H 73 6.797 7.700 -0.903 2
1 974 . 1 1 A 76 76 VAL CA C 73 62.994 60.989 2.005 2
1 975 . 1 1 A 76 76 VAL HA H 73 3.707 4.356 -0.649 2
1 976 . 1 1 A 76 76 VAL CB C 73 32.014 33.721 -1.707 2
1 986 . 1 1 A 76 76 VAL C C 73 176.144 175.910 0.234 2
1 987 . 1 1 A 77 77 VAL N N 74 128.303 126.005 2.298 2
1 988 . 1 1 A 77 77 VAL H H 74 8.407 8.578 -0.171 2
1 989 . 1 1 A 77 77 VAL CA C 74 64.673 65.114 -0.441 2
1 990 . 1 1 A 77 77 VAL HA H 74 3.651 3.580 0.071 2
1 991 . 1 1 A 77 77 VAL CB C 74 30.789 31.316 -0.527 2
1 1001 . 1 1 A 77 77 VAL C C 74 176.911 177.329 -0.418 2
1 1002 . 1 1 A 78 78 GLY N N 75 116.087 115.325 0.762 2
1 1003 . 1 1 A 78 78 GLY H H 75 8.827 8.877 -0.050 2
1 1004 . 1 1 A 78 78 GLY CA C 75 45.004 45.974 -0.970 2
1 1005 . 1 1 A 78 78 GLY HA2 H 75 4.236 3.948 0.288 2
1 1006 . 1 1 A 78 78 GLY HA3 H 75 3.738 3.950 -0.212 2
1 1007 . 1 1 A 78 78 GLY C C 75 173.779 174.148 -0.368 2
1 1008 . 1 1 A 79 79 LYS N N 76 121.612 120.538 1.074 2
1 1009 . 1 1 A 79 79 LYS H H 76 8.140 7.672 0.468 2
1 1010 . 1 1 A 79 79 LYS CA C 76 54.078 56.118 -2.040 2
1 1011 . 1 1 A 79 79 LYS HA H 76 4.588 4.546 0.042 2
1 1012 . 1 1 A 79 79 LYS CB C 76 32.708 33.775 -1.067 2
1 1024 . 1 1 A 79 79 LYS C C 76 175.177 175.640 -0.463 2
1 1025 . 1 1 A 80 80 SER N N 77 117.166 115.757 1.409 2
1 1026 . 1 1 A 80 80 SER H H 77 8.241 7.743 0.498 2
1 1027 . 1 1 A 80 80 SER CA C 77 59.173 59.343 -0.170 2
1 1028 . 1 1 A 80 80 SER HA H 77 4.356 4.422 -0.066 2
1 1029 . 1 1 A 80 80 SER CB C 77 63.288 63.204 0.084 2
1 1032 . 1 1 A 80 80 SER C C 77 174.793 173.380 1.413 2
1 1033 . 1 1 A 81 81 ASP N N 78 118.775 123.428 -4.653 2
1 1034 . 1 1 A 81 81 ASP H H 78 8.506 8.681 -0.175 2
1 1035 . 1 1 A 81 81 ASP CA C 78 50.069 51.517 -1.448 2
1 1036 . 1 1 A 81 81 ASP HA H 78 5.423 5.010 0.413 2
1 1037 . 1 1 A 81 81 ASP CB C 78 41.498 41.365 0.133 2
1 1041 . 1 1 A 82 82 PRO CA C 79 63.656 64.337 -0.681 2
1 1042 . 1 1 A 82 82 PRO HA H 79 4.271 4.329 -0.058 2
1 1043 . 1 1 A 82 82 PRO CB C 79 31.303 31.806 -0.503 2
1 1051 . 1 1 A 82 82 PRO C C 79 178.645 177.967 0.678 2
1 1052 . 1 1 A 83 83 TYR N N 80 117.360 117.641 -0.281 2
1 1053 . 1 1 A 83 83 TYR H H 80 7.561 7.409 0.152 2
1 1054 . 1 1 A 83 83 TYR CA C 80 59.635 61.583 -1.948 2
1 1055 . 1 1 A 83 83 TYR HA H 80 4.163 4.338 -0.175 2
1 1056 . 1 1 A 83 83 TYR CB C 80 35.602 38.418 -2.816 2
1 1065 . 1 1 A 83 83 TYR C C 80 176.904 178.375 -1.471 2
1 1066 . 1 1 A 84 84 ARG N N 81 120.833 118.953 1.880 2
1 1067 . 1 1 A 84 84 ARG H H 81 7.898 8.289 -0.391 2
1 1068 . 1 1 A 84 84 ARG CA C 81 58.332 59.150 -0.818 2
1 1069 . 1 1 A 84 84 ARG HA H 81 4.615 4.054 0.561 2
1 1070 . 1 1 A 84 84 ARG CB C 81 28.242 29.871 -1.629 2
1 1071 . 1 1 A 84 84 ARG C C 81 176.940 179.155 -2.215 2
1 1072 . 1 1 A 85 85 VAL N N 82 117.345 120.182 -2.837 2
1 1073 . 1 1 A 85 85 VAL H H 82 6.971 8.067 -1.096 2
1 1074 . 1 1 A 85 85 VAL CA C 82 65.663 66.806 -1.143 2
1 1075 . 1 1 A 85 85 VAL HA H 82 3.417 3.552 -0.135 2
1 1076 . 1 1 A 85 85 VAL CB C 82 31.165 31.632 -0.467 2
1 1085 . 1 1 A 85 85 VAL C C 82 176.601 177.815 -1.214 2
1 1086 . 1 1 A 86 86 GLN N N 83 117.137 120.123 -2.985 2
1 1087 . 1 1 A 86 86 GLN H H 83 7.536 8.485 -0.949 2
1 1088 . 1 1 A 86 86 GLN CA C 83 58.230 58.484 -0.254 2
1 1089 . 1 1 A 86 86 GLN HA H 83 3.953 4.112 -0.159 2
1 1090 . 1 1 A 86 86 GLN CB C 83 28.240 28.489 -0.249 2
1 1099 . 1 1 A 86 86 GLN C C 83 178.602 178.126 0.476 2
1 1100 . 1 1 A 87 87 ALA N N 84 121.452 122.322 -0.870 2
1 1101 . 1 1 A 87 87 ALA H H 84 8.843 7.943 0.900 2
1 1102 . 1 1 A 87 87 ALA CA C 84 54.905 55.192 -0.287 2
1 1103 . 1 1 A 87 87 ALA HA H 84 4.048 4.171 -0.123 2
1 1107 . 1 1 A 87 87 ALA CB C 84 18.088 18.584 -0.496 2
1 1108 . 1 1 A 87 87 ALA C C 84 178.498 179.894 -1.396 2
1 1109 . 1 1 A 88 88 VAL N N 85 117.570 118.339 -0.769 2
1 1110 . 1 1 A 88 88 VAL H H 85 8.515 8.403 0.112 2
1 1111 . 1 1 A 88 88 VAL CA C 85 67.315 66.513 0.802 2
1 1112 . 1 1 A 88 88 VAL HA H 85 3.764 3.465 0.299 2
1 1113 . 1 1 A 88 88 VAL CB C 85 30.610 31.598 -0.988 2
1 1123 . 1 1 A 88 88 VAL C C 85 177.138 177.873 -0.735 2
1 1124 . 1 1 A 89 89 LYS N N 86 120.005 120.585 -0.580 2
1 1125 . 1 1 A 89 89 LYS H H 86 8.612 8.450 0.162 2
1 1126 . 1 1 A 89 89 LYS CA C 86 60.851 59.427 1.424 2
1 1127 . 1 1 A 89 89 LYS HA H 86 3.827 3.984 -0.157 2
1 1128 . 1 1 A 89 89 LYS CB C 86 31.974 32.160 -0.186 2
1 1140 . 1 1 A 89 89 LYS C C 86 178.096 178.682 -0.586 2
1 1141 . 1 1 A 90 90 PHE N N 87 119.839 120.477 -0.638 2
1 1142 . 1 1 A 90 90 PHE H H 87 8.184 8.092 0.092 2
1 1143 . 1 1 A 90 90 PHE CA C 87 60.604 61.283 -0.679 2
1 1144 . 1 1 A 90 90 PHE HA H 87 4.302 4.207 0.095 2
1 1145 . 1 1 A 90 90 PHE CB C 87 38.349 39.295 -0.946 2
1 1154 . 1 1 A 90 90 PHE C C 87 177.748 177.572 0.176 2
1 1155 . 1 1 A 91 91 LEU N N 88 118.977 119.633 -0.656 2
1 1156 . 1 1 A 91 91 LEU H H 88 8.604 8.552 0.052 2
1 1157 . 1 1 A 91 91 LEU CA C 88 58.058 58.481 -0.423 2
1 1158 . 1 1 A 91 91 LEU HA H 88 3.975 3.854 0.121 2
1 1159 . 1 1 A 91 91 LEU CB C 88 41.114 42.073 -0.959 2
1 1169 . 1 1 A 91 91 LEU C C 88 178.106 179.131 -1.025 2
1 1170 . 1 1 A 92 92 ILE N N 89 118.378 118.741 -0.363 2
1 1171 . 1 1 A 92 92 ILE H H 89 8.420 8.484 -0.064 2
1 1172 . 1 1 A 92 92 ILE CA C 89 65.761 65.647 0.114 2
1 1173 . 1 1 A 92 92 ILE HA H 89 3.542 3.488 0.054 2
1 1174 . 1 1 A 92 92 ILE CB C 89 37.372 37.888 -0.516 2
1 1184 . 1 1 A 92 92 ILE C C 89 176.952 178.263 -1.311 2
1 1185 . 1 1 A 93 93 GLU N N 90 120.262 120.619 -0.357 2
1 1186 . 1 1 A 93 93 GLU H H 90 8.133 8.201 -0.068 2
1 1187 . 1 1 A 93 93 GLU CA C 90 58.766 59.908 -1.142 2
1 1188 . 1 1 A 93 93 GLU HA H 90 4.038 3.858 0.180 2
1 1189 . 1 1 A 93 93 GLU CB C 90 28.466 29.066 -0.600 2
1 1195 . 1 1 A 93 93 GLU C C 90 178.689 178.778 -0.089 2
1 1196 . 1 1 A 94 94 ARG N N 91 117.630 119.035 -1.405 2
1 1197 . 1 1 A 94 94 ARG H H 91 7.952 8.033 -0.081 2
1 1198 . 1 1 A 94 94 ARG CA C 91 58.343 58.856 -0.513 2
1 1199 . 1 1 A 94 94 ARG HA H 91 3.941 3.966 -0.025 2
1 1200 . 1 1 A 94 94 ARG CB C 91 29.048 29.865 -0.817 2
1 1215 . 1 1 A 94 94 ARG C C 91 178.875 178.768 0.107 2
1 1216 . 1 1 A 95 95 ILE N N 92 120.056 120.373 -0.317 2
1 1217 . 1 1 A 95 95 ILE H H 92 8.225 8.043 0.182 2
1 1218 . 1 1 A 95 95 ILE CA C 92 63.296 65.144 -1.848 2
1 1219 . 1 1 A 95 95 ILE HA H 92 3.972 3.748 0.224 2
1 1220 . 1 1 A 95 95 ILE CB C 92 36.921 37.332 -0.411 2
1 1233 . 1 1 A 95 95 ILE C C 92 180.242 178.634 1.608 2
1 1234 . 1 1 A 96 96 ARG N N 93 121.023 120.613 0.410 2
1 1235 . 1 1 A 96 96 ARG H H 93 8.259 8.381 -0.122 2
1 1236 . 1 1 A 96 96 ARG CA C 93 58.401 58.318 0.083 2
1 1237 . 1 1 A 96 96 ARG HA H 93 4.068 4.183 -0.115 2
1 1238 . 1 1 A 96 96 ARG CB C 93 29.474 29.725 -0.251 2
1 1254 . 1 1 A 96 96 ARG C C 93 177.500 177.133 0.367 2
1 1255 . 1 1 A 97 97 LYS N N 94 116.750 118.000 -1.250 2
1 1256 . 1 1 A 97 97 LYS H H 94 7.527 7.571 -0.044 2
1 1257 . 1 1 A 97 97 LYS CA C 94 55.282 55.855 -0.573 2
1 1258 . 1 1 A 97 97 LYS HA H 94 4.274 4.384 -0.110 2
1 1259 . 1 1 A 97 97 LYS CB C 94 32.112 33.656 -1.544 2
1 1271 . 1 1 A 97 97 LYS C C 94 174.901 175.869 -0.968 2
1 1272 . 1 1 A 98 98 ASN N N 95 116.979 117.256 -0.277 2
1 1273 . 1 1 A 98 98 ASN H H 95 8.150 8.021 0.129 2
1 1274 . 1 1 A 98 98 ASN CA C 95 53.822 54.125 -0.303 2
1 1275 . 1 1 A 98 98 ASN HA H 95 4.370 4.290 0.080 2
1 1276 . 1 1 A 98 98 ASN CB C 95 36.674 37.186 -0.512 2
1 1282 . 1 1 A 98 98 ASN C C 95 173.779 174.057 -0.278 2
1 1283 . 1 1 A 99 99 GLU N N 96 118.529 118.800 -0.271 2
1 1284 . 1 1 A 99 99 GLU H H 96 8.236 8.000 0.236 2
1 1285 . 1 1 A 99 99 GLU CA C 96 52.891 53.583 -0.692 2
1 1286 . 1 1 A 99 99 GLU HA H 96 4.673 4.770 -0.097 2
1 1287 . 1 1 A 99 99 GLU CB C 96 30.358 30.982 -0.624 2
1 1292 . 1 1 A 100 100 PRO CA C 97 62.037 62.744 -0.707 2
1 1293 . 1 1 A 100 100 PRO HA H 97 4.272 4.665 -0.393 2
1 1294 . 1 1 A 100 100 PRO CB C 97 31.609 32.013 -0.404 2
1 1302 . 1 1 A 100 100 PRO C C 97 176.184 176.563 -0.379 2
1 1303 . 1 1 A 101 101 LEU N N 98 122.794 123.417 -0.623 2
1 1304 . 1 1 A 101 101 LEU H H 98 8.832 8.396 0.436 2
1 1305 . 1 1 A 101 101 LEU CA C 98 52.524 52.910 -0.386 2
1 1306 . 1 1 A 101 101 LEU HA H 98 4.654 4.700 -0.046 2
1 1307 . 1 1 A 101 101 LEU CB C 98 40.422 42.151 -1.729 2
1 1321 . 1 1 A 102 102 PRO CA C 99 61.075 62.221 -1.146 2
1 1322 . 1 1 A 102 102 PRO HA H 99 4.629 4.627 0.002 2
1 1323 . 1 1 A 102 102 PRO CB C 99 31.778 33.106 -1.328 2
1 1328 . 1 1 A 102 102 PRO C C 99 174.604 176.262 -1.658 2
1 1329 . 1 1 A 103 103 VAL N N 100 120.834 120.930 -0.096 2
1 1330 . 1 1 A 103 103 VAL H H 100 8.661 8.544 0.117 2
1 1331 . 1 1 A 103 103 VAL CA C 100 62.977 62.668 0.309 2
1 1332 . 1 1 A 103 103 VAL HA H 100 3.860 4.151 -0.291 2
1 1333 . 1 1 A 103 103 VAL CB C 100 31.731 31.919 -0.188 2
1 1342 . 1 1 A 103 103 VAL C C 100 177.396 176.367 1.029 2
1 1343 . 1 1 A 104 104 TYR N N 101 129.973 126.910 3.063 2
1 1344 . 1 1 A 104 104 TYR H H 101 8.487 9.198 -0.711 2
1 1345 . 1 1 A 104 104 TYR CA C 101 62.855 62.036 0.819 2
1 1346 . 1 1 A 104 104 TYR HA H 101 3.802 4.101 -0.299 2
1 1347 . 1 1 A 104 104 TYR CB C 101 38.429 38.899 -0.470 2
1 1356 . 1 1 A 104 104 TYR C C 101 175.877 177.589 -1.712 2
1 1357 . 1 1 A 105 105 LYS N N 102 117.165 119.236 -2.071 2
1 1358 . 1 1 A 105 105 LYS H H 102 8.848 8.229 0.619 2
1 1359 . 1 1 A 105 105 LYS CA C 102 59.343 59.665 -0.322 2
1 1360 . 1 1 A 105 105 LYS HA H 102 3.810 3.905 -0.095 2
1 1361 . 1 1 A 105 105 LYS CB C 102 31.739 32.196 -0.457 2
1 1373 . 1 1 A 105 105 LYS C C 102 177.370 178.198 -0.828 2
1 1374 . 1 1 A 106 106 ASP N N 103 117.011 120.240 -3.229 2
1 1375 . 1 1 A 106 106 ASP H H 103 6.781 8.200 -1.419 2
1 1376 . 1 1 A 106 106 ASP CA C 103 56.155 57.711 -1.556 2
1 1377 . 1 1 A 106 106 ASP HA H 103 4.454 4.308 0.146 2
1 1378 . 1 1 A 106 106 ASP CB C 103 39.467 41.546 -2.079 2
1 1381 . 1 1 A 106 106 ASP C C 103 178.180 178.131 0.049 2
1 1382 . 1 1 A 107 107 LEU N N 104 124.145 119.850 4.295 2
1 1383 . 1 1 A 107 107 LEU H H 104 7.687 8.336 -0.649 2
1 1384 . 1 1 A 107 107 LEU CA C 104 56.938 58.059 -1.121 2
1 1385 . 1 1 A 107 107 LEU HA H 104 4.000 3.936 0.064 2
1 1386 . 1 1 A 107 107 LEU CB C 104 41.707 41.726 -0.019 2
1 1399 . 1 1 A 107 107 LEU C C 104 176.403 178.764 -2.361 2
1 1400 . 1 1 A 108 108 TRP N N 105 120.039 120.565 -0.526 2
1 1401 . 1 1 A 108 108 TRP H H 105 9.072 8.267 0.805 2
1 1402 . 1 1 A 108 108 TRP CA C 105 62.392 60.614 1.778 2
1 1403 . 1 1 A 108 108 TRP HA H 105 3.547 3.988 -0.441 2
1 1404 . 1 1 A 108 108 TRP CB C 105 28.316 29.186 -0.870 2
1 1415 . 1 1 A 108 108 TRP C C 105 176.983 178.134 -1.151 2
1 1416 . 1 1 A 109 109 ASN N N 106 113.557 116.685 -3.128 2
1 1417 . 1 1 A 109 109 ASN H H 106 8.058 8.370 -0.312 2
1 1418 . 1 1 A 109 109 ASN CA C 106 55.662 55.967 -0.305 2
1 1419 . 1 1 A 109 109 ASN HA H 106 3.994 3.903 0.091 2
1 1420 . 1 1 A 109 109 ASN CB C 106 37.973 37.620 0.353 2
1 1426 . 1 1 A 109 109 ASN C C 106 176.928 177.442 -0.514 2
1 1427 . 1 1 A 110 110 ALA N N 107 121.997 122.556 -0.559 2
1 1428 . 1 1 A 110 110 ALA H H 107 7.718 7.931 -0.213 2
1 1429 . 1 1 A 110 110 ALA CA C 107 54.261 55.012 -0.751 2
1 1430 . 1 1 A 110 110 ALA HA H 107 3.979 4.023 -0.044 2
1 1434 . 1 1 A 110 110 ALA CB C 107 17.322 18.377 -1.055 2
1 1435 . 1 1 A 110 110 ALA C C 107 180.452 180.039 0.413 2
1 1436 . 1 1 A 111 111 LEU N N 108 119.150 117.819 1.331 2
1 1437 . 1 1 A 111 111 LEU H H 108 8.200 8.291 -0.091 2
1 1438 . 1 1 A 111 111 LEU CA C 108 56.264 57.492 -1.228 2
1 1439 . 1 1 A 111 111 LEU HA H 108 3.857 3.967 -0.110 2
1 1440 . 1 1 A 111 111 LEU CB C 108 41.134 41.062 0.072 2
1 1453 . 1 1 A 111 111 LEU C C 108 178.144 179.237 -1.093 2
1 1454 . 1 1 A 112 112 ARG N N 109 117.178 119.912 -2.734 2
1 1455 . 1 1 A 112 112 ARG H H 109 7.365 7.995 -0.630 2
1 1456 . 1 1 A 112 112 ARG CA C 109 56.443 59.605 -3.162 2
1 1457 . 1 1 A 112 112 ARG HA H 109 2.642 3.882 -1.240 2
1 1458 . 1 1 A 112 112 ARG CB C 109 28.901 29.527 -0.626 2
1 1469 . 1 1 A 112 112 ARG C C 109 176.348 178.772 -2.424 2
1 1470 . 1 1 A 113 113 LYS N N 110 118.628 118.927 -0.299 2
1 1471 . 1 1 A 113 113 LYS H H 110 7.145 7.774 -0.629 2
1 1472 . 1 1 A 113 113 LYS CA C 110 56.410 58.195 -1.785 2
1 1473 . 1 1 A 113 113 LYS HA H 110 4.018 4.092 -0.074 2
1 1474 . 1 1 A 113 113 LYS CB C 110 32.091 32.455 -0.364 2
1 1486 . 1 1 A 113 113 LYS C C 110 176.164 177.951 -1.787 2
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