data_10146_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10146
_Entry.PDB_ID 2EE6
_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 1 . 1 1 1 A 7 7 GLY N N 7 110.767 110.707 0.060 1
1 2 . 1 1 1 A 7 7 GLY H H 7 8.421 8.400 0.021 1
1 3 . 1 1 1 A 7 7 GLY CA C 7 45.393 45.720 -0.327 1
1 4 . 1 1 1 A 7 7 GLY HA2 H 7 4.003 4.165 -0.162 1
1 5 . 1 1 1 A 7 7 GLY HA3 H 7 4.003 4.168 -0.165 1
1 6 . 1 1 1 A 7 7 GLY C C 7 174.160 172.095 2.065 1
1 7 . 1 1 1 A 8 8 GLU N N 8 120.419 125.067 -4.648 1
1 8 . 1 1 1 A 8 8 GLU H H 8 8.320 8.624 -0.304 1
1 9 . 1 1 1 A 8 8 GLU CA C 8 56.499 55.307 1.192 1
1 10 . 1 1 1 A 8 8 GLU HA H 8 4.390 4.896 -0.506 1
1 11 . 1 1 1 A 8 8 GLU CB C 8 30.615 32.181 -1.566 1
1 17 . 1 1 1 A 8 8 GLU C C 8 176.858 176.575 0.283 1
1 18 . 1 1 1 A 9 9 GLY N N 9 109.731 108.657 1.074 1
1 19 . 1 1 1 A 9 9 GLY H H 9 8.522 8.579 -0.057 1
1 20 . 1 1 1 A 9 9 GLY CA C 9 45.110 44.576 0.534 1
1 21 . 1 1 1 A 9 9 GLY HA2 H 9 4.090 4.134 -0.044 1
1 22 . 1 1 1 A 9 9 GLY HA3 H 9 3.931 4.211 -0.280 1
1 23 . 1 1 1 A 9 9 GLY C C 9 173.933 173.348 0.585 1
1 24 . 1 1 1 A 10 10 GLY N N 10 107.139 108.340 -1.201 1
1 25 . 1 1 1 A 10 10 GLY H H 10 8.393 8.587 -0.194 1
1 26 . 1 1 1 A 10 10 GLY CA C 10 45.039 44.867 0.172 1
1 27 . 1 1 1 A 10 10 GLY HA2 H 10 3.868 4.430 -0.562 1
1 28 . 1 1 1 A 10 10 GLY HA3 H 10 4.528 4.484 0.044 1
1 29 . 1 1 1 A 10 10 GLY C C 10 174.561 175.185 -0.624 1
1 30 . 1 1 1 A 11 11 ALA N N 11 122.466 124.765 -2.299 1
1 31 . 1 1 1 A 11 11 ALA H H 11 8.875 9.071 -0.196 1
1 32 . 1 1 1 A 11 11 ALA CA C 11 55.391 56.002 -0.611 1
1 33 . 1 1 1 A 11 11 ALA HA H 11 3.803 4.254 -0.451 1
1 34 . 1 1 1 A 11 11 ALA CB C 11 19.583 18.889 0.694 1
1 38 . 1 1 1 A 11 11 ALA C C 11 178.242 179.730 -1.488 1
1 39 . 1 1 1 A 12 12 HIS N N 12 111.513 115.698 -4.185 1
1 40 . 1 1 1 A 12 12 HIS H H 12 8.290 8.845 -0.555 1
1 41 . 1 1 1 A 12 12 HIS CA C 12 57.847 59.163 -1.316 1
1 42 . 1 1 1 A 12 12 HIS HA H 12 4.443 4.373 0.070 1
1 43 . 1 1 1 A 12 12 HIS CB C 12 29.321 28.765 0.556 1
1 50 . 1 1 1 A 12 12 HIS C C 12 176.189 176.302 -0.113 1
1 51 . 1 1 1 A 13 13 LYS N N 13 118.111 117.631 0.480 1
1 52 . 1 1 1 A 13 13 LYS H H 13 7.558 7.373 0.185 1
1 53 . 1 1 1 A 13 13 LYS CA C 13 54.660 55.753 -1.093 1
1 54 . 1 1 1 A 13 13 LYS HA H 13 4.202 4.041 0.161 1
1 55 . 1 1 1 A 13 13 LYS CB C 13 32.655 31.573 1.082 1
1 67 . 1 1 1 A 13 13 LYS C C 13 176.721 174.903 1.818 1
1 68 . 1 1 1 A 14 14 VAL N N 14 123.625 119.403 4.222 1
1 69 . 1 1 1 A 14 14 VAL H H 14 7.499 7.362 0.137 1
1 70 . 1 1 1 A 14 14 VAL CA C 14 63.247 60.773 2.474 1
1 71 . 1 1 1 A 14 14 VAL HA H 14 3.907 4.608 -0.701 1
1 72 . 1 1 1 A 14 14 VAL CB C 14 31.649 34.701 -3.052 1
1 82 . 1 1 1 A 15 15 ARG H H 15 8.106 8.505 -0.399 1
1 83 . 1 1 1 A 15 15 ARG CA C 15 53.791 54.523 -0.732 1
1 84 . 1 1 1 A 15 15 ARG HA H 15 5.021 5.407 -0.386 1
1 85 . 1 1 1 A 15 15 ARG CB C 15 34.207 33.582 0.625 1
1 94 . 1 1 1 A 16 16 ALA N N 16 123.795 123.702 0.093 1
1 95 . 1 1 1 A 16 16 ALA H H 16 8.875 8.638 0.237 1
1 96 . 1 1 1 A 16 16 ALA CA C 16 51.092 50.858 0.234 1
1 97 . 1 1 1 A 16 16 ALA HA H 16 5.569 5.338 0.231 1
1 98 . 1 1 1 A 16 16 ALA CB C 16 23.845 22.903 0.942 1
1 102 . 1 1 1 A 17 17 GLY N N 17 106.516 106.964 -0.448 1
1 103 . 1 1 1 A 17 17 GLY H H 17 8.616 8.040 0.576 1
1 104 . 1 1 1 A 17 17 GLY CA C 17 46.205 45.602 0.603 1
1 105 . 1 1 1 A 17 17 GLY HA2 H 17 4.289 4.199 0.090 1
1 106 . 1 1 1 A 17 17 GLY HA3 H 17 4.226 4.267 -0.041 1
1 107 . 1 1 1 A 18 18 GLY N N 18 111.804 109.070 2.734 1
1 108 . 1 1 1 A 18 18 GLY H H 18 8.816 8.289 0.527 1
1 109 . 1 1 1 A 18 18 GLY CA C 18 44.595 45.334 -0.739 1
1 110 . 1 1 1 A 18 18 GLY HA2 H 18 4.105 4.312 -0.207 1
1 111 . 1 1 1 A 18 18 GLY HA3 H 18 4.105 4.361 -0.256 1
1 112 . 1 1 1 A 19 19 PRO CA C 19 65.526 64.172 1.354 1
1 113 . 1 1 1 A 19 19 PRO HA H 19 4.335 4.464 -0.129 1
1 114 . 1 1 1 A 19 19 PRO CB C 19 31.790 31.764 0.026 1
1 123 . 1 1 1 A 19 19 PRO C C 19 179.208 177.763 1.445 1
1 124 . 1 1 1 A 20 20 GLY N N 20 103.234 106.481 -3.247 1
1 125 . 1 1 1 A 20 20 GLY H H 20 9.282 8.357 0.925 1
1 126 . 1 1 1 A 20 20 GLY CA C 20 46.361 46.225 0.136 1
1 127 . 1 1 1 A 20 20 GLY HA2 H 20 3.214 3.862 -0.648 1
1 128 . 1 1 1 A 20 20 GLY HA3 H 20 4.184 3.905 0.279 1
1 129 . 1 1 1 A 20 20 GLY C C 20 172.711 175.730 -3.019 1
1 130 . 1 1 1 A 21 21 LEU N N 21 116.307 123.184 -6.877 1
1 131 . 1 1 1 A 21 21 LEU H H 21 7.559 8.361 -0.802 1
1 132 . 1 1 1 A 21 21 LEU CA C 21 53.980 57.898 -3.918 1
1 133 . 1 1 1 A 21 21 LEU HA H 21 4.166 3.974 0.192 1
1 134 . 1 1 1 A 21 21 LEU CB C 21 40.135 41.650 -1.515 1
1 147 . 1 1 1 A 21 21 LEU C C 21 175.859 178.781 -2.922 1
1 148 . 1 1 1 A 22 22 GLU N N 22 119.926 116.979 2.947 1
1 149 . 1 1 1 A 22 22 GLU H H 22 7.927 8.015 -0.088 1
1 150 . 1 1 1 A 22 22 GLU CA C 22 57.490 59.239 -1.749 1
1 151 . 1 1 1 A 22 22 GLU HA H 22 4.511 4.194 0.317 1
1 152 . 1 1 1 A 22 22 GLU CB C 22 32.057 29.153 2.904 1
1 158 . 1 1 1 A 22 22 GLU C C 22 175.521 176.192 -0.671 1
1 159 . 1 1 1 A 23 23 ARG N N 23 116.789 119.365 -2.576 1
1 160 . 1 1 1 A 23 23 ARG H H 23 8.340 7.661 0.679 1
1 161 . 1 1 1 A 23 23 ARG CA C 23 56.464 55.477 0.987 1
1 162 . 1 1 1 A 23 23 ARG HA H 23 4.688 4.806 -0.118 1
1 163 . 1 1 1 A 23 23 ARG CB C 23 32.571 33.944 -1.373 1
1 174 . 1 1 1 A 23 23 ARG C C 23 173.992 174.720 -0.728 1
1 175 . 1 1 1 A 24 24 GLY N N 24 108.837 110.754 -1.917 1
1 176 . 1 1 1 A 24 24 GLY H H 24 8.736 8.496 0.240 1
1 177 . 1 1 1 A 24 24 GLY CA C 24 43.943 45.227 -1.284 1
1 178 . 1 1 1 A 24 24 GLY HA2 H 24 3.510 4.414 -0.904 1
1 179 . 1 1 1 A 24 24 GLY HA3 H 24 4.679 4.457 0.222 1
1 180 . 1 1 1 A 24 24 GLY C C 24 171.930 172.667 -0.737 1
1 181 . 1 1 1 A 25 25 GLU N N 25 122.126 120.331 1.795 1
1 182 . 1 1 1 A 25 25 GLU H H 25 9.429 8.591 0.838 1
1 183 . 1 1 1 A 25 25 GLU CA C 25 54.209 54.682 -0.473 1
1 184 . 1 1 1 A 25 25 GLU HA H 25 5.049 5.309 -0.260 1
1 185 . 1 1 1 A 25 25 GLU CB C 25 32.945 33.862 -0.917 1
1 191 . 1 1 1 A 25 25 GLU C C 25 175.853 175.790 0.063 1
1 192 . 1 1 1 A 26 26 ALA N N 26 128.654 125.655 2.999 1
1 193 . 1 1 1 A 26 26 ALA H H 26 8.518 8.873 -0.355 1
1 194 . 1 1 1 A 26 26 ALA CA C 26 53.187 53.881 -0.694 1
1 195 . 1 1 1 A 26 26 ALA HA H 26 3.855 4.292 -0.437 1
1 196 . 1 1 1 A 26 26 ALA CB C 26 17.420 18.469 -1.049 1
1 200 . 1 1 1 A 26 26 ALA C C 26 177.837 178.255 -0.418 1
1 201 . 1 1 1 A 27 27 GLY N N 27 108.210 110.717 -2.507 1
1 202 . 1 1 1 A 27 27 GLY H H 27 8.583 9.029 -0.446 1
1 203 . 1 1 1 A 27 27 GLY CA C 27 45.619 45.066 0.553 1
1 204 . 1 1 1 A 27 27 GLY HA2 H 27 3.364 3.968 -0.604 1
1 205 . 1 1 1 A 27 27 GLY HA3 H 27 4.158 3.972 0.186 1
1 206 . 1 1 1 A 27 27 GLY C C 27 173.084 173.537 -0.453 1
1 207 . 1 1 1 A 28 28 VAL N N 28 122.974 122.375 0.599 1
1 208 . 1 1 1 A 28 28 VAL H H 28 7.878 7.357 0.521 1
1 209 . 1 1 1 A 28 28 VAL CA C 28 59.182 58.855 0.327 1
1 210 . 1 1 1 A 28 28 VAL HA H 28 4.510 4.359 0.151 1
1 211 . 1 1 1 A 28 28 VAL CB C 28 34.549 33.455 1.094 1
1 221 . 1 1 1 A 28 28 VAL C C 28 174.171 174.413 -0.242 1
1 222 . 1 1 1 A 29 29 PRO CA C 29 64.354 62.230 2.124 1
1 223 . 1 1 1 A 29 29 PRO HA H 29 4.064 4.463 -0.399 1
1 224 . 1 1 1 A 29 29 PRO CB C 29 31.464 31.943 -0.479 1
1 233 . 1 1 1 A 29 29 PRO C C 29 174.718 175.724 -1.006 1
1 234 . 1 1 1 A 30 30 ALA N N 30 131.821 126.030 5.791 1
1 235 . 1 1 1 A 30 30 ALA H H 30 8.990 8.356 0.634 1
1 236 . 1 1 1 A 30 30 ALA CA C 30 50.482 50.508 -0.026 1
1 237 . 1 1 1 A 30 30 ALA HA H 30 4.558 4.540 0.018 1
1 238 . 1 1 1 A 30 30 ALA CB C 30 18.793 19.451 -0.658 1
1 242 . 1 1 1 A 30 30 ALA C C 30 176.319 176.386 -0.067 1
1 243 . 1 1 1 A 31 31 GLU N N 31 119.523 123.967 -4.444 1
1 244 . 1 1 1 A 31 31 GLU H H 31 8.273 8.759 -0.486 1
1 245 . 1 1 1 A 31 31 GLU CA C 31 55.261 55.501 -0.240 1
1 246 . 1 1 1 A 31 31 GLU HA H 31 5.290 5.090 0.200 1
1 247 . 1 1 1 A 31 31 GLU CB C 31 33.484 31.895 1.589 1
1 253 . 1 1 1 A 31 31 GLU C C 31 176.617 175.785 0.832 1
1 254 . 1 1 1 A 32 32 PHE N N 32 115.139 118.235 -3.096 1
1 255 . 1 1 1 A 32 32 PHE H H 32 8.905 8.202 0.703 1
1 256 . 1 1 1 A 32 32 PHE CA C 32 57.490 56.765 0.725 1
1 257 . 1 1 1 A 32 32 PHE HA H 32 5.031 5.090 -0.059 1
1 258 . 1 1 1 A 32 32 PHE CB C 32 39.989 41.261 -1.272 1
1 271 . 1 1 1 A 32 32 PHE C C 32 172.714 172.814 -0.100 1
1 272 . 1 1 1 A 33 33 SER CA C 33 57.324 56.073 1.251 1
1 273 . 1 1 1 A 33 33 SER HA H 33 5.404 5.291 0.113 1
1 274 . 1 1 1 A 33 33 SER CB C 33 66.623 65.197 1.426 1
1 277 . 1 1 1 A 34 34 ILE N N 34 127.688 124.143 3.545 1
1 278 . 1 1 1 A 34 34 ILE H H 34 9.577 9.087 0.490 1
1 279 . 1 1 1 A 34 34 ILE CA C 34 60.614 60.400 0.214 1
1 280 . 1 1 1 A 34 34 ILE HA H 34 4.668 4.809 -0.141 1
1 281 . 1 1 1 A 34 34 ILE CB C 34 41.681 39.471 2.210 1
1 294 . 1 1 1 A 35 35 TRP CA C 35 58.440 57.245 1.195 1
1 295 . 1 1 1 A 35 35 TRP HA H 35 5.262 4.867 0.395 1
1 296 . 1 1 1 A 35 35 TRP CB C 35 30.511 29.183 1.328 1
1 311 . 1 1 1 A 36 36 THR N N 36 114.021 115.486 -1.465 1
1 312 . 1 1 1 A 36 36 THR H H 36 8.680 8.408 0.272 1
1 313 . 1 1 1 A 36 36 THR CA C 36 61.459 60.528 0.931 1
1 314 . 1 1 1 A 36 36 THR HA H 36 4.364 4.667 -0.303 1
1 315 . 1 1 1 A 36 36 THR CB C 36 69.197 68.472 0.725 1
1 321 . 1 1 1 A 37 37 ARG CA C 37 56.501 57.438 -0.937 1
1 322 . 1 1 1 A 37 37 ARG HA H 37 4.207 4.231 -0.024 1
1 323 . 1 1 1 A 37 37 ARG CB C 37 30.884 30.131 0.753 1
1 332 . 1 1 1 A 37 37 ARG C C 37 173.005 177.510 -4.505 1
1 333 . 1 1 1 A 38 38 GLU H H 38 8.371 8.284 0.087 1
1 334 . 1 1 1 A 38 38 GLU CA C 38 56.895 57.879 -0.984 1
1 335 . 1 1 1 A 38 38 GLU HA H 38 4.270 4.422 -0.152 1
1 336 . 1 1 1 A 38 38 GLU CB C 38 30.001 31.316 -1.315 1
1 342 . 1 1 1 A 39 39 ALA N N 39 121.133 121.518 -0.385 1
1 343 . 1 1 1 A 39 39 ALA H H 39 7.665 7.344 0.321 1
1 344 . 1 1 1 A 39 39 ALA CA C 39 52.963 52.068 0.895 1
1 345 . 1 1 1 A 39 39 ALA HA H 39 3.964 4.310 -0.346 1
1 346 . 1 1 1 A 39 39 ALA CB C 39 21.097 19.779 1.318 1
1 350 . 1 1 1 A 39 39 ALA C C 39 177.871 178.151 -0.280 1
1 351 . 1 1 1 A 40 40 GLY N N 40 105.600 108.519 -2.919 1
1 352 . 1 1 1 A 40 40 GLY H H 40 7.654 8.306 -0.652 1
1 353 . 1 1 1 A 40 40 GLY CA C 40 44.261 47.278 -3.017 1
1 354 . 1 1 1 A 40 40 GLY HA2 H 40 3.766 3.889 -0.123 1
1 355 . 1 1 1 A 40 40 GLY HA3 H 40 4.196 3.901 0.295 1
1 356 . 1 1 1 A 40 40 GLY C C 40 172.824 173.982 -1.158 1
1 357 . 1 1 1 A 41 41 ALA N N 41 122.720 118.954 3.766 1
1 358 . 1 1 1 A 41 41 ALA H H 41 8.364 7.612 0.752 1
1 359 . 1 1 1 A 41 41 ALA CA C 41 52.502 51.659 0.843 1
1 360 . 1 1 1 A 41 41 ALA HA H 41 4.396 4.831 -0.435 1
1 361 . 1 1 1 A 41 41 ALA CB C 41 19.295 22.375 -3.080 1
1 365 . 1 1 1 A 41 41 ALA C C 41 178.393 176.143 2.250 1
1 366 . 1 1 1 A 42 42 GLY N N 42 109.713 106.196 3.517 1
1 367 . 1 1 1 A 42 42 GLY H H 42 8.194 8.486 -0.292 1
1 368 . 1 1 1 A 42 42 GLY CA C 42 45.853 45.610 0.243 1
1 369 . 1 1 1 A 42 42 GLY HA2 H 42 3.616 3.691 -0.075 1
1 370 . 1 1 1 A 42 42 GLY HA3 H 42 3.761 4.017 -0.256 1
1 371 . 1 1 1 A 42 42 GLY C C 42 172.178 172.302 -0.124 1
1 372 . 1 1 1 A 43 43 GLY N N 43 105.505 107.013 -1.508 1
1 373 . 1 1 1 A 43 43 GLY H H 43 7.422 8.427 -1.005 1
1 374 . 1 1 1 A 43 43 GLY CA C 43 44.382 44.622 -0.240 1
1 375 . 1 1 1 A 43 43 GLY HA2 H 43 3.420 3.979 -0.559 1
1 376 . 1 1 1 A 43 43 GLY HA3 H 43 4.295 4.039 0.256 1
1 377 . 1 1 1 A 43 43 GLY C C 43 172.885 172.736 0.149 1
1 378 . 1 1 1 A 44 44 LEU N N 44 125.007 121.885 3.122 1
1 379 . 1 1 1 A 44 44 LEU H H 44 8.525 8.536 -0.011 1
1 380 . 1 1 1 A 44 44 LEU CA C 44 53.589 53.654 -0.065 1
1 381 . 1 1 1 A 44 44 LEU HA H 44 5.357 5.147 0.210 1
1 382 . 1 1 1 A 44 44 LEU CB C 44 45.602 46.089 -0.487 1
1 395 . 1 1 1 A 44 44 LEU C C 44 177.034 174.994 2.040 1
1 396 . 1 1 1 A 45 45 SER N N 45 117.626 118.370 -0.744 1
1 397 . 1 1 1 A 45 45 SER H H 45 9.010 8.649 0.361 1
1 398 . 1 1 1 A 45 45 SER CA C 45 57.065 56.837 0.228 1
1 399 . 1 1 1 A 45 45 SER HA H 45 4.660 5.247 -0.587 1
1 400 . 1 1 1 A 45 45 SER CB C 45 65.309 65.347 -0.038 1
1 403 . 1 1 1 A 45 45 SER C C 45 172.724 173.343 -0.619 1
1 404 . 1 1 1 A 46 46 ILE N N 46 125.604 125.803 -0.199 1
1 405 . 1 1 1 A 46 46 ILE H H 46 8.584 8.880 -0.296 1
1 406 . 1 1 1 A 46 46 ILE CA C 46 59.369 59.868 -0.499 1
1 407 . 1 1 1 A 46 46 ILE HA H 46 5.182 5.003 0.179 1
1 408 . 1 1 1 A 46 46 ILE CB C 46 40.879 40.725 0.154 1
1 421 . 1 1 1 A 46 46 ILE C C 46 174.318 174.783 -0.465 1
1 422 . 1 1 1 A 47 47 ALA N N 47 128.948 128.673 0.275 1
1 423 . 1 1 1 A 47 47 ALA H H 47 8.762 8.548 0.214 1
1 424 . 1 1 1 A 47 47 ALA CA C 47 51.123 51.169 -0.046 1
1 425 . 1 1 1 A 47 47 ALA HA H 47 4.724 5.105 -0.381 1
1 426 . 1 1 1 A 47 47 ALA CB C 47 22.575 21.228 1.347 1
1 430 . 1 1 1 A 47 47 ALA C C 47 175.131 175.514 -0.383 1
1 431 . 1 1 1 A 48 48 VAL N N 48 121.512 123.719 -2.207 1
1 432 . 1 1 1 A 48 48 VAL H H 48 8.640 9.093 -0.453 1
1 433 . 1 1 1 A 48 48 VAL CA C 48 61.770 61.979 -0.209 1
1 434 . 1 1 1 A 48 48 VAL HA H 48 4.749 4.533 0.216 1
1 435 . 1 1 1 A 48 48 VAL CB C 48 33.642 32.036 1.606 1
1 445 . 1 1 1 A 48 48 VAL C C 48 174.870 175.627 -0.757 1
1 446 . 1 1 1 A 49 49 GLU N N 49 126.757 126.558 0.199 1
1 447 . 1 1 1 A 49 49 GLU H H 49 8.898 8.632 0.266 1
1 448 . 1 1 1 A 49 49 GLU CA C 49 54.457 54.863 -0.406 1
1 449 . 1 1 1 A 49 49 GLU HA H 49 5.003 5.323 -0.320 1
1 450 . 1 1 1 A 49 49 GLU CB C 49 33.209 32.666 0.543 1
1 456 . 1 1 1 A 49 49 GLU C C 49 175.282 176.633 -1.351 1
1 457 . 1 1 1 A 50 50 GLY N N 50 112.668 109.935 2.733 1
1 458 . 1 1 1 A 50 50 GLY H H 50 8.563 8.238 0.325 1
1 459 . 1 1 1 A 50 50 GLY CA C 50 45.534 45.243 0.291 1
1 460 . 1 1 1 A 50 50 GLY HA2 H 50 3.481 3.680 -0.199 1
1 461 . 1 1 1 A 50 50 GLY HA3 H 50 3.836 4.019 -0.183 1
1 462 . 1 1 1 A 50 50 GLY C C 50 171.670 174.161 -2.491 1
1 463 . 1 1 1 A 51 51 PRO CA C 51 64.371 63.913 0.458 1
1 464 . 1 1 1 A 51 51 PRO HA H 51 4.309 4.404 -0.095 1
1 465 . 1 1 1 A 51 51 PRO CB C 51 32.183 31.817 0.366 1
1 474 . 1 1 1 A 51 51 PRO C C 51 175.938 175.834 0.104 1
1 475 . 1 1 1 A 52 52 SER N N 52 109.776 111.800 -2.024 1
1 476 . 1 1 1 A 52 52 SER H H 52 7.281 7.378 -0.097 1
1 477 . 1 1 1 A 52 52 SER CA C 52 56.747 56.458 0.289 1
1 478 . 1 1 1 A 52 52 SER HA H 52 4.688 4.680 0.008 1
1 479 . 1 1 1 A 52 52 SER CB C 52 65.901 65.643 0.258 1
1 482 . 1 1 1 A 52 52 SER C C 52 172.748 172.314 0.434 1
1 483 . 1 1 1 A 53 53 LYS N N 53 121.441 123.567 -2.126 1
1 484 . 1 1 1 A 53 53 LYS H H 53 8.607 8.395 0.212 1
1 485 . 1 1 1 A 53 53 LYS CA C 53 56.641 56.190 0.451 1
1 486 . 1 1 1 A 53 53 LYS HA H 53 4.391 4.656 -0.265 1
1 487 . 1 1 1 A 53 53 LYS CB C 53 32.323 33.518 -1.195 1
1 499 . 1 1 1 A 53 53 LYS C C 53 175.721 175.745 -0.024 1
1 500 . 1 1 1 A 54 54 ALA N N 54 129.914 128.757 1.157 1
1 501 . 1 1 1 A 54 54 ALA H H 54 8.941 8.979 -0.038 1
1 502 . 1 1 1 A 54 54 ALA CA C 54 50.924 50.066 0.858 1
1 503 . 1 1 1 A 54 54 ALA HA H 54 4.962 5.344 -0.382 1
1 504 . 1 1 1 A 54 54 ALA CB C 54 20.004 21.872 -1.868 1
1 508 . 1 1 1 A 54 54 ALA C C 54 176.618 175.568 1.050 1
1 509 . 1 1 1 A 55 55 GLU N N 55 122.179 122.364 -0.185 1
1 510 . 1 1 1 A 55 55 GLU H H 55 8.153 8.872 -0.719 1
1 511 . 1 1 1 A 55 55 GLU CA C 55 55.689 56.416 -0.727 1
1 512 . 1 1 1 A 55 55 GLU HA H 55 4.569 4.688 -0.119 1
1 513 . 1 1 1 A 55 55 GLU CB C 55 31.003 30.802 0.201 1
1 519 . 1 1 1 A 55 55 GLU C C 55 176.867 175.386 1.481 1
1 520 . 1 1 1 A 56 56 ILE N N 56 127.733 126.265 1.468 1
1 521 . 1 1 1 A 56 56 ILE H H 56 8.948 8.673 0.275 1
1 522 . 1 1 1 A 56 56 ILE CA C 56 61.345 60.171 1.174 1
1 523 . 1 1 1 A 56 56 ILE HA H 56 4.744 5.207 -0.463 1
1 524 . 1 1 1 A 56 56 ILE CB C 56 40.978 42.210 -1.232 1
1 537 . 1 1 1 A 56 56 ILE C C 56 175.675 174.964 0.711 1
1 538 . 1 1 1 A 57 57 THR N N 57 124.172 123.069 1.103 1
1 539 . 1 1 1 A 57 57 THR H H 57 9.410 8.701 0.709 1
1 540 . 1 1 1 A 57 57 THR CA C 57 61.999 61.326 0.673 1
1 541 . 1 1 1 A 57 57 THR HA H 57 4.504 5.057 -0.553 1
1 542 . 1 1 1 A 57 57 THR CB C 57 70.660 71.247 -0.587 1
1 548 . 1 1 1 A 57 57 THR C C 57 172.131 172.830 -0.699 1
1 549 . 1 1 1 A 58 58 PHE N N 58 126.429 127.846 -1.417 1
1 550 . 1 1 1 A 58 58 PHE H H 58 8.796 9.080 -0.284 1
1 551 . 1 1 1 A 58 58 PHE CA C 58 56.680 55.995 0.685 1
1 552 . 1 1 1 A 58 58 PHE HA H 58 4.981 5.357 -0.376 1
1 553 . 1 1 1 A 58 58 PHE CB C 58 42.400 42.206 0.194 1
1 566 . 1 1 1 A 58 58 PHE C C 58 173.719 173.734 -0.015 1
1 567 . 1 1 1 A 59 59 ASP N N 59 126.210 126.710 -0.500 1
1 568 . 1 1 1 A 59 59 ASP H H 59 8.707 8.738 -0.031 1
1 569 . 1 1 1 A 59 59 ASP CA C 59 52.784 52.443 0.341 1
1 570 . 1 1 1 A 59 59 ASP HA H 59 4.677 5.436 -0.759 1
1 571 . 1 1 1 A 59 59 ASP CB C 59 42.738 42.862 -0.124 1
1 574 . 1 1 1 A 59 59 ASP C C 59 173.710 174.007 -0.297 1
1 575 . 1 1 1 A 60 60 ASP N N 60 123.675 126.088 -2.413 1
1 576 . 1 1 1 A 60 60 ASP H H 60 8.490 8.817 -0.327 1
1 577 . 1 1 1 A 60 60 ASP CA C 60 53.871 53.931 -0.060 1
1 578 . 1 1 1 A 60 60 ASP HA H 60 4.447 4.672 -0.225 1
1 579 . 1 1 1 A 60 60 ASP CB C 60 41.108 41.153 -0.045 1
1 582 . 1 1 1 A 60 60 ASP C C 60 176.691 175.950 0.741 1
1 583 . 1 1 1 A 61 61 HIS N N 61 124.385 126.149 -1.764 1
1 584 . 1 1 1 A 61 61 HIS H H 61 8.122 8.855 -0.733 1
1 585 . 1 1 1 A 61 61 HIS CA C 61 55.608 58.192 -2.584 1
1 586 . 1 1 1 A 61 61 HIS HA H 61 4.769 4.442 0.327 1
1 587 . 1 1 1 A 61 61 HIS CB C 61 28.607 31.433 -2.826 1
1 594 . 1 1 1 A 61 61 HIS C C 61 175.701 174.315 1.386 1
1 595 . 1 1 1 A 62 62 LYS N N 62 115.195 115.470 -0.275 1
1 596 . 1 1 1 A 62 62 LYS H H 62 9.178 7.215 1.963 1
1 597 . 1 1 1 A 62 62 LYS CA C 62 57.585 54.123 3.462 1
1 598 . 1 1 1 A 62 62 LYS HA H 62 4.028 4.506 -0.478 1
1 599 . 1 1 1 A 62 62 LYS CB C 62 29.373 35.892 -6.519 1
1 611 . 1 1 1 A 63 63 ASN N N 63 116.167 120.348 -4.181 1
1 612 . 1 1 1 A 63 63 ASN H H 63 7.900 9.040 -1.140 1
1 613 . 1 1 1 A 63 63 ASN CA C 63 52.056 55.650 -3.594 1
1 614 . 1 1 1 A 63 63 ASN HA H 63 4.835 4.440 0.395 1
1 615 . 1 1 1 A 63 63 ASN CB C 63 38.468 38.120 0.348 1
1 621 . 1 1 1 A 63 63 ASN C C 63 176.634 178.955 -2.321 1
1 622 . 1 1 1 A 64 64 GLY N N 64 108.877 108.793 0.084 1
1 623 . 1 1 1 A 64 64 GLY H H 64 8.718 8.110 0.608 1
1 624 . 1 1 1 A 64 64 GLY CA C 64 45.534 47.225 -1.691 1
1 625 . 1 1 1 A 64 64 GLY HA2 H 64 3.619 3.770 -0.151 1
1 626 . 1 1 1 A 64 64 GLY HA3 H 64 4.247 3.782 0.465 1
1 627 . 1 1 1 A 65 65 SER N N 65 115.229 113.689 1.540 1
1 628 . 1 1 1 A 65 65 SER H H 65 7.962 7.858 0.104 1
1 629 . 1 1 1 A 65 65 SER CA C 65 57.108 57.432 -0.324 1
1 630 . 1 1 1 A 65 65 SER HA H 65 5.531 4.899 0.632 1
1 631 . 1 1 1 A 65 65 SER CB C 65 67.290 65.884 1.406 1
1 634 . 1 1 1 A 66 66 CYS N N 66 118.007 118.309 -0.302 1
1 635 . 1 1 1 A 66 66 CYS H H 66 8.807 8.192 0.615 1
1 636 . 1 1 1 A 66 66 CYS CA C 66 56.476 58.987 -2.511 1
1 637 . 1 1 1 A 66 66 CYS HA H 66 4.672 4.580 0.092 1
1 638 . 1 1 1 A 66 66 CYS CB C 66 31.077 29.613 1.464 1
1 641 . 1 1 1 A 67 67 GLY N N 67 112.448 109.838 2.610 1
1 642 . 1 1 1 A 67 67 GLY H H 67 8.679 7.892 0.787 1
1 643 . 1 1 1 A 67 67 GLY CA C 67 45.004 45.376 -0.372 1
1 644 . 1 1 1 A 67 67 GLY HA2 H 67 3.629 3.799 -0.170 1
1 645 . 1 1 1 A 67 67 GLY HA3 H 67 4.645 3.812 0.833 1
1 646 . 1 1 1 A 67 67 GLY C C 67 171.754 173.868 -2.114 1
1 647 . 1 1 1 A 68 68 VAL N N 68 123.840 124.555 -0.715 1
1 648 . 1 1 1 A 68 68 VAL H H 68 8.486 7.743 0.743 1
1 649 . 1 1 1 A 68 68 VAL CA C 68 60.143 60.517 -0.374 1
1 650 . 1 1 1 A 68 68 VAL HA H 68 4.579 4.476 0.103 1
1 651 . 1 1 1 A 68 68 VAL CB C 68 33.946 33.735 0.211 1
1 661 . 1 1 1 A 68 68 VAL C C 68 174.396 174.321 0.075 1
1 662 . 1 1 1 A 69 69 SER N N 69 119.414 122.728 -3.314 1
1 663 . 1 1 1 A 69 69 SER H H 69 8.450 8.516 -0.066 1
1 664 . 1 1 1 A 69 69 SER CA C 69 56.169 56.102 0.067 1
1 665 . 1 1 1 A 69 69 SER HA H 69 5.442 5.575 -0.133 1
1 666 . 1 1 1 A 69 69 SER CB C 69 65.640 66.266 -0.626 1
1 669 . 1 1 1 A 69 69 SER C C 69 173.189 172.373 0.816 1
1 670 . 1 1 1 A 70 70 TYR N N 70 119.504 119.723 -0.219 1
1 671 . 1 1 1 A 70 70 TYR H H 70 8.771 8.524 0.247 1
1 672 . 1 1 1 A 70 70 TYR CA C 70 54.962 55.963 -1.001 1
1 673 . 1 1 1 A 70 70 TYR HA H 70 5.922 5.799 0.123 1
1 674 . 1 1 1 A 70 70 TYR CB C 70 42.710 41.874 0.836 1
1 685 . 1 1 1 A 70 70 TYR C C 70 173.056 172.868 0.188 1
1 686 . 1 1 1 A 71 71 ILE N N 71 117.727 122.970 -5.243 1
1 687 . 1 1 1 A 71 71 ILE H H 71 8.196 8.808 -0.612 1
1 688 . 1 1 1 A 71 71 ILE CA C 71 60.132 59.668 0.464 1
1 689 . 1 1 1 A 71 71 ILE HA H 71 4.161 4.766 -0.605 1
1 690 . 1 1 1 A 71 71 ILE CB C 71 40.790 41.001 -0.211 1
1 703 . 1 1 1 A 71 71 ILE C C 71 175.114 174.673 0.441 1
1 704 . 1 1 1 A 72 72 ALA N N 72 133.145 129.901 3.244 1
1 705 . 1 1 1 A 72 72 ALA H H 72 9.466 8.367 1.099 1
1 706 . 1 1 1 A 72 72 ALA CA C 72 50.261 50.359 -0.098 1
1 707 . 1 1 1 A 72 72 ALA HA H 72 4.567 4.592 -0.025 1
1 708 . 1 1 1 A 72 72 ALA CB C 72 19.699 19.920 -0.221 1
1 712 . 1 1 1 A 72 72 ALA C C 72 177.170 178.162 -0.992 1
1 713 . 1 1 1 A 73 73 GLN N N 73 120.464 124.137 -3.673 1
1 714 . 1 1 1 A 73 73 GLN H H 73 8.649 8.629 0.020 1
1 715 . 1 1 1 A 73 73 GLN CA C 73 57.614 58.346 -0.732 1
1 716 . 1 1 1 A 73 73 GLN HA H 73 4.083 4.174 -0.091 1
1 717 . 1 1 1 A 73 73 GLN CB C 73 29.667 29.060 0.607 1
1 726 . 1 1 1 A 73 73 GLN C C 73 175.643 176.094 -0.451 1
1 727 . 1 1 1 A 74 74 GLU N N 74 114.557 118.135 -3.578 1
1 728 . 1 1 1 A 74 74 GLU H H 74 7.102 8.061 -0.959 1
1 729 . 1 1 1 A 74 74 GLU CA C 74 52.242 53.086 -0.844 1
1 730 . 1 1 1 A 74 74 GLU HA H 74 4.988 4.817 0.171 1
1 731 . 1 1 1 A 74 74 GLU CB C 74 31.732 30.987 0.745 1
1 737 . 1 1 1 A 74 74 GLU C C 74 174.462 173.917 0.545 1
1 738 . 1 1 1 A 75 75 PRO CA C 75 63.007 63.403 -0.396 1
1 739 . 1 1 1 A 75 75 PRO HA H 75 4.335 4.627 -0.292 1
1 740 . 1 1 1 A 75 75 PRO CB C 75 32.866 33.148 -0.282 1
1 749 . 1 1 1 A 75 75 PRO C C 75 174.572 176.045 -1.473 1
1 750 . 1 1 1 A 76 76 GLY N N 76 107.234 107.759 -0.525 1
1 751 . 1 1 1 A 76 76 GLY H H 76 9.012 8.447 0.565 1
1 752 . 1 1 1 A 76 76 GLY CA C 76 44.615 44.648 -0.033 1
1 753 . 1 1 1 A 76 76 GLY HA2 H 76 3.850 4.116 -0.266 1
1 754 . 1 1 1 A 76 76 GLY HA3 H 76 4.201 4.181 0.020 1
1 755 . 1 1 1 A 76 76 GLY C C 76 171.133 173.059 -1.926 1
1 756 . 1 1 1 A 77 77 ASN N N 77 119.292 117.225 2.067 1
1 757 . 1 1 1 A 77 77 ASN H H 77 8.549 8.435 0.114 1
1 758 . 1 1 1 A 77 77 ASN CA C 77 52.364 51.965 0.399 1
1 759 . 1 1 1 A 77 77 ASN HA H 77 5.369 5.306 0.063 1
1 760 . 1 1 1 A 77 77 ASN CB C 77 39.176 38.992 0.184 1
1 766 . 1 1 1 A 77 77 ASN C C 77 174.470 173.643 0.827 1
1 767 . 1 1 1 A 78 78 TYR N N 78 123.809 124.935 -1.126 1
1 768 . 1 1 1 A 78 78 TYR H H 78 9.094 8.929 0.165 1
1 769 . 1 1 1 A 78 78 TYR CA C 78 56.818 58.066 -1.248 1
1 770 . 1 1 1 A 78 78 TYR HA H 78 4.859 5.034 -0.175 1
1 771 . 1 1 1 A 78 78 TYR CB C 78 39.860 39.329 0.531 1
1 782 . 1 1 1 A 78 78 TYR C C 78 174.184 175.005 -0.821 1
1 783 . 1 1 1 A 79 79 GLU N N 79 122.250 125.762 -3.512 1
1 784 . 1 1 1 A 79 79 GLU H H 79 9.259 9.155 0.104 1
1 785 . 1 1 1 A 79 79 GLU CA C 79 54.692 55.545 -0.853 1
1 786 . 1 1 1 A 79 79 GLU HA H 79 5.313 4.998 0.315 1
1 787 . 1 1 1 A 79 79 GLU CB C 79 32.159 30.419 1.740 1
1 793 . 1 1 1 A 79 79 GLU C C 79 176.631 175.077 1.554 1
1 794 . 1 1 1 A 80 80 VAL N N 80 131.418 127.736 3.682 1
1 795 . 1 1 1 A 80 80 VAL H H 80 9.761 8.238 1.523 1
1 796 . 1 1 1 A 80 80 VAL CA C 80 61.522 62.495 -0.973 1
1 797 . 1 1 1 A 80 80 VAL HA H 80 4.801 4.668 0.133 1
1 798 . 1 1 1 A 80 80 VAL CB C 80 32.818 31.744 1.074 1
1 808 . 1 1 1 A 80 80 VAL C C 80 175.573 175.218 0.355 1
1 809 . 1 1 1 A 81 81 SER N N 81 123.238 122.704 0.534 1
1 810 . 1 1 1 A 81 81 SER H H 81 9.457 9.211 0.246 1
1 811 . 1 1 1 A 81 81 SER CA C 81 57.589 57.044 0.545 1
1 812 . 1 1 1 A 81 81 SER HA H 81 5.167 5.013 0.154 1
1 813 . 1 1 1 A 81 81 SER CB C 81 64.882 64.094 0.788 1
1 816 . 1 1 1 A 81 81 SER C C 81 173.514 173.608 -0.094 1
1 817 . 1 1 1 A 82 82 ILE N N 82 126.261 128.775 -2.514 1
1 818 . 1 1 1 A 82 82 ILE H H 82 9.642 9.179 0.463 1
1 819 . 1 1 1 A 82 82 ILE CA C 82 60.992 60.566 0.426 1
1 820 . 1 1 1 A 82 82 ILE HA H 82 4.667 5.139 -0.472 1
1 821 . 1 1 1 A 82 82 ILE CB C 82 40.692 39.719 0.973 1
1 834 . 1 1 1 A 82 82 ILE C C 82 173.498 174.818 -1.320 1
1 835 . 1 1 1 A 83 83 LYS N N 83 123.477 127.237 -3.760 1
1 836 . 1 1 1 A 83 83 LYS H H 83 8.720 8.827 -0.107 1
1 837 . 1 1 1 A 83 83 LYS CA C 83 53.730 54.799 -1.069 1
1 838 . 1 1 1 A 83 83 LYS HA H 83 5.139 4.802 0.337 1
1 839 . 1 1 1 A 83 83 LYS CB C 83 36.351 34.678 1.673 1
1 851 . 1 1 1 A 83 83 LYS C C 83 174.914 174.391 0.523 1
1 852 . 1 1 1 A 84 84 PHE N N 84 122.298 126.218 -3.920 1
1 853 . 1 1 1 A 84 84 PHE H H 84 9.154 9.352 -0.198 1
1 854 . 1 1 1 A 84 84 PHE CA C 84 56.057 57.336 -1.279 1
1 855 . 1 1 1 A 84 84 PHE HA H 84 5.238 4.772 0.466 1
1 856 . 1 1 1 A 84 84 PHE CB C 84 43.136 40.939 2.197 1
1 867 . 1 1 1 A 84 84 PHE C C 84 175.864 176.048 -0.184 1
1 868 . 1 1 1 A 85 85 ASN N N 85 127.936 125.720 2.216 1
1 869 . 1 1 1 A 85 85 ASN H H 85 9.040 8.878 0.162 1
1 870 . 1 1 1 A 85 85 ASN CA C 85 54.448 53.624 0.824 1
1 871 . 1 1 1 A 85 85 ASN HA H 85 4.206 4.198 0.008 1
1 872 . 1 1 1 A 85 85 ASN CB C 85 36.554 35.765 0.789 1
1 878 . 1 1 1 A 85 85 ASN C C 85 174.620 173.818 0.802 1
1 879 . 1 1 1 A 86 86 ASP N N 86 108.763 111.916 -3.153 1
1 880 . 1 1 1 A 86 86 ASP H H 86 8.828 8.510 0.318 1
1 881 . 1 1 1 A 86 86 ASP CA C 86 56.405 55.494 0.911 1
1 882 . 1 1 1 A 86 86 ASP HA H 86 3.946 4.221 -0.275 1
1 883 . 1 1 1 A 86 86 ASP CB C 86 40.367 39.026 1.341 1
1 886 . 1 1 1 A 86 86 ASP C C 86 174.169 174.546 -0.377 1
1 887 . 1 1 1 A 87 87 GLU N N 87 119.289 117.246 2.043 1
1 888 . 1 1 1 A 87 87 GLU H H 87 7.510 7.691 -0.181 1
1 889 . 1 1 1 A 87 87 GLU CA C 87 54.483 54.915 -0.432 1
1 890 . 1 1 1 A 87 87 GLU HA H 87 4.743 4.859 -0.116 1
1 891 . 1 1 1 A 87 87 GLU CB C 87 32.763 33.343 -0.580 1
1 897 . 1 1 1 A 87 87 GLU C C 87 175.825 175.222 0.603 1
1 898 . 1 1 1 A 88 88 HIS N N 88 123.465 120.966 2.499 1
1 899 . 1 1 1 A 88 88 HIS H H 88 8.822 8.988 -0.166 1
1 900 . 1 1 1 A 88 88 HIS CA C 88 59.117 56.325 2.792 1
1 901 . 1 1 1 A 88 88 HIS HA H 88 4.511 4.824 -0.313 1
1 902 . 1 1 1 A 88 88 HIS CB C 88 32.254 30.720 1.534 1
1 909 . 1 1 1 A 88 88 HIS C C 88 177.352 175.826 1.526 1
1 910 . 1 1 1 A 89 89 ILE N N 89 117.945 121.069 -3.124 1
1 911 . 1 1 1 A 89 89 ILE H H 89 8.131 8.776 -0.645 1
1 912 . 1 1 1 A 89 89 ILE CA C 89 61.121 59.208 1.913 1
1 913 . 1 1 1 A 89 89 ILE HA H 89 4.519 4.701 -0.182 1
1 914 . 1 1 1 A 89 89 ILE CB C 89 35.538 38.074 -2.536 1
1 927 . 1 1 1 A 89 89 ILE C C 89 173.831 176.351 -2.520 1
1 928 . 1 1 1 A 90 90 PRO CA C 90 66.545 64.287 2.258 1
1 929 . 1 1 1 A 90 90 PRO HA H 90 4.223 4.531 -0.308 1
1 930 . 1 1 1 A 90 90 PRO CB C 90 31.693 31.461 0.232 1
1 939 . 1 1 1 A 90 90 PRO C C 90 177.046 176.233 0.813 1
1 940 . 1 1 1 A 91 91 GLU N N 91 113.835 116.979 -3.144 1
1 941 . 1 1 1 A 91 91 GLU H H 91 8.223 8.258 -0.035 1
1 942 . 1 1 1 A 91 91 GLU CA C 91 57.913 56.141 1.772 1
1 943 . 1 1 1 A 91 91 GLU HA H 91 3.733 4.334 -0.601 1
1 944 . 1 1 1 A 91 91 GLU CB C 91 27.681 31.500 -3.819 1
1 950 . 1 1 1 A 91 91 GLU C C 91 173.469 175.277 -1.808 1
1 951 . 1 1 1 A 92 92 SER N N 92 111.462 113.489 -2.027 1
1 952 . 1 1 1 A 92 92 SER H H 92 7.489 7.519 -0.030 1
1 953 . 1 1 1 A 92 92 SER CA C 92 54.873 55.532 -0.659 1
1 954 . 1 1 1 A 92 92 SER HA H 92 4.427 4.673 -0.246 1
1 955 . 1 1 1 A 92 92 SER CB C 92 63.317 65.016 -1.699 1
1 958 . 1 1 1 A 92 92 SER C C 92 174.195 172.096 2.099 1
1 959 . 1 1 1 A 93 93 PRO CA C 93 62.333 62.508 -0.175 1
1 960 . 1 1 1 A 93 93 PRO HA H 93 5.483 4.711 0.772 1
1 961 . 1 1 1 A 93 93 PRO CB C 93 34.386 32.288 2.098 1
1 970 . 1 1 1 A 93 93 PRO C C 93 176.059 175.148 0.911 1
1 971 . 1 1 1 A 94 94 TYR N N 94 122.179 119.576 2.603 1
1 972 . 1 1 1 A 94 94 TYR H H 94 9.372 8.995 0.377 1
1 973 . 1 1 1 A 94 94 TYR CA C 94 57.101 57.467 -0.366 1
1 974 . 1 1 1 A 94 94 TYR HA H 94 4.531 4.917 -0.386 1
1 975 . 1 1 1 A 94 94 TYR CB C 94 40.027 40.976 -0.949 1
1 986 . 1 1 1 A 94 94 TYR C C 94 175.281 174.502 0.779 1
1 987 . 1 1 1 A 95 95 LEU N N 95 126.428 124.316 2.112 1
1 988 . 1 1 1 A 95 95 LEU H H 95 8.807 8.735 0.072 1
1 989 . 1 1 1 A 95 95 LEU CA C 95 54.200 53.748 0.452 1
1 990 . 1 1 1 A 95 95 LEU HA H 95 4.981 5.111 -0.130 1
1 991 . 1 1 1 A 95 95 LEU CB C 95 41.894 44.114 -2.220 1
1 1004 . 1 1 1 A 95 95 LEU C C 95 176.295 174.704 1.591 1
1 1005 . 1 1 1 A 96 96 VAL N N 96 130.944 127.378 3.566 1
1 1006 . 1 1 1 A 96 96 VAL H H 96 9.629 8.872 0.757 1
1 1007 . 1 1 1 A 96 96 VAL CA C 96 59.813 59.394 0.419 1
1 1008 . 1 1 1 A 96 96 VAL HA H 96 4.469 4.622 -0.153 1
1 1009 . 1 1 1 A 96 96 VAL CB C 96 35.052 32.570 2.482 1
1 1019 . 1 1 1 A 96 96 VAL C C 96 173.734 175.092 -1.358 1
1 1020 . 1 1 1 A 97 97 PRO CA C 97 62.379 62.428 -0.049 1
1 1021 . 1 1 1 A 97 97 PRO HA H 97 5.016 4.781 0.235 1
1 1022 . 1 1 1 A 97 97 PRO CB C 97 32.163 30.046 2.117 1
1 1031 . 1 1 1 A 97 97 PRO C C 97 175.950 176.465 -0.515 1
1 1032 . 1 1 1 A 98 98 VAL N N 98 125.524 123.853 1.671 1
1 1033 . 1 1 1 A 98 98 VAL H H 98 9.196 8.837 0.359 1
1 1034 . 1 1 1 A 98 98 VAL CA C 98 61.345 62.899 -1.554 1
1 1035 . 1 1 1 A 98 98 VAL HA H 98 4.411 4.675 -0.264 1
1 1036 . 1 1 1 A 98 98 VAL CB C 98 32.037 32.242 -0.205 1
1 1046 . 1 1 1 A 98 98 VAL C C 98 176.996 175.836 1.160 1
1 1047 . 1 1 1 A 99 99 ILE N N 99 124.035 120.923 3.112 1
1 1048 . 1 1 1 A 99 99 ILE H H 99 8.392 8.393 -0.001 1
1 1049 . 1 1 1 A 99 99 ILE CA C 99 59.802 59.042 0.760 1
1 1050 . 1 1 1 A 99 99 ILE HA H 99 4.651 4.921 -0.270 1
1 1051 . 1 1 1 A 99 99 ILE CB C 99 40.609 42.052 -1.443 1
1 1064 . 1 1 1 A 99 99 ILE C C 99 175.482 174.548 0.934 1
1 1065 . 1 1 1 A 100 100 ALA N N 100 125.837 125.216 0.621 1
1 1066 . 1 1 1 A 100 100 ALA H H 100 8.714 8.530 0.184 1
1 1067 . 1 1 1 A 100 100 ALA CA C 100 50.416 50.158 0.258 1
1 1068 . 1 1 1 A 100 100 ALA HA H 100 4.603 4.495 0.108 1
1 1069 . 1 1 1 A 100 100 ALA CB C 100 18.088 19.645 -1.557 1
1 1073 . 1 1 1 A 100 100 ALA C C 100 175.264 176.314 -1.050 1
1 1074 . 1 1 1 A 101 101 PRO CA C 101 63.104 62.861 0.243 1
1 1075 . 1 1 1 A 101 101 PRO HA H 101 4.483 4.578 -0.095 1
1 1076 . 1 1 1 A 101 101 PRO CB C 101 32.222 31.878 0.344 1
1 1085 . 1 1 1 A 101 101 PRO C C 101 176.976 175.761 1.215 1
1 1086 . 1 1 1 A 102 102 SER N N 102 116.530 118.118 -1.588 1
1 1087 . 1 1 1 A 102 102 SER H H 102 8.527 8.531 -0.004 1
1 1088 . 1 1 1 A 102 102 SER CA C 102 58.283 57.109 1.174 1
1 1089 . 1 1 1 A 102 102 SER HA H 102 4.433 4.864 -0.431 1
1 1090 . 1 1 1 A 102 102 SER CB C 102 64.078 64.538 -0.460 1
1 1093 . 1 1 1 A 102 102 SER C C 102 174.510 172.516 1.994 1
1 1094 . 1 1 1 A 103 103 ASP N N 103 123.018 129.355 -6.337 1
1 1095 . 1 1 1 A 103 103 ASP H H 103 8.450 9.064 -0.614 1
1 1096 . 1 1 1 A 103 103 ASP CA C 103 54.431 53.147 1.284 1
1 1097 . 1 1 1 A 103 103 ASP HA H 103 4.654 5.285 -0.631 1
1 1098 . 1 1 1 A 103 103 ASP CB C 103 41.226 43.439 -2.213 1
1 1101 . 1 1 1 A 103 103 ASP C C 103 175.889 173.959 1.930 1
1 1102 . 1 1 1 A 104 104 ASP N N 104 120.896 125.386 -4.490 1
1 1103 . 1 1 1 A 104 104 ASP H H 104 8.264 8.768 -0.504 1
1 1104 . 1 1 1 A 104 104 ASP CA C 104 54.283 53.314 0.969 1
1 1105 . 1 1 1 A 104 104 ASP HA H 104 4.601 4.987 -0.386 1
1 1106 . 1 1 1 A 104 104 ASP CB C 104 41.183 42.992 -1.809 1
1 1109 . 1 1 1 A 104 104 ASP C C 104 175.065 175.431 -0.366 1
1 1 . 2 1 1 A 7 7 GLY N N 7 110.767 110.242 0.525 1
1 2 . 2 1 1 A 7 7 GLY H H 7 8.421 8.006 0.415 1
1 3 . 2 1 1 A 7 7 GLY CA C 7 45.393 46.090 -0.697 1
1 4 . 2 1 1 A 7 7 GLY HA2 H 7 4.003 4.003 0.000 1
1 5 . 2 1 1 A 7 7 GLY HA3 H 7 4.003 4.005 -0.002 1
1 6 . 2 1 1 A 7 7 GLY C C 7 174.160 174.578 -0.418 1
1 7 . 2 1 1 A 8 8 GLU N N 8 120.419 119.906 0.513 1
1 8 . 2 1 1 A 8 8 GLU H H 8 8.320 8.053 0.267 1
1 9 . 2 1 1 A 8 8 GLU CA C 8 56.499 56.289 0.210 1
1 10 . 2 1 1 A 8 8 GLU HA H 8 4.390 4.385 0.005 1
1 11 . 2 1 1 A 8 8 GLU CB C 8 30.615 30.475 0.140 1
1 17 . 2 1 1 A 8 8 GLU C C 8 176.858 176.462 0.396 1
1 18 . 2 1 1 A 9 9 GLY N N 9 109.731 111.919 -2.188 1
1 19 . 2 1 1 A 9 9 GLY H H 9 8.522 8.609 -0.087 1
1 20 . 2 1 1 A 9 9 GLY CA C 9 45.110 45.356 -0.246 1
1 21 . 2 1 1 A 9 9 GLY HA2 H 9 4.090 4.402 -0.312 1
1 22 . 2 1 1 A 9 9 GLY HA3 H 9 3.931 4.498 -0.567 1
1 23 . 2 1 1 A 9 9 GLY C C 9 173.933 172.974 0.959 1
1 24 . 2 1 1 A 10 10 GLY N N 10 107.139 109.339 -2.200 1
1 25 . 2 1 1 A 10 10 GLY H H 10 8.393 8.058 0.335 1
1 26 . 2 1 1 A 10 10 GLY CA C 10 45.039 46.227 -1.188 1
1 27 . 2 1 1 A 10 10 GLY HA2 H 10 3.868 4.488 -0.620 1
1 28 . 2 1 1 A 10 10 GLY HA3 H 10 4.528 4.495 0.033 1
1 29 . 2 1 1 A 10 10 GLY C C 10 174.561 174.040 0.521 1
1 30 . 2 1 1 A 11 11 ALA N N 11 122.466 124.011 -1.545 1
1 31 . 2 1 1 A 11 11 ALA H H 11 8.875 8.870 0.005 1
1 32 . 2 1 1 A 11 11 ALA CA C 11 55.391 55.084 0.307 1
1 33 . 2 1 1 A 11 11 ALA HA H 11 3.803 4.106 -0.303 1
1 34 . 2 1 1 A 11 11 ALA CB C 11 19.583 18.944 0.639 1
1 38 . 2 1 1 A 11 11 ALA C C 11 178.242 179.872 -1.630 1
1 39 . 2 1 1 A 12 12 HIS N N 12 111.513 115.386 -3.873 1
1 40 . 2 1 1 A 12 12 HIS H H 12 8.290 8.651 -0.361 1
1 41 . 2 1 1 A 12 12 HIS CA C 12 57.847 58.976 -1.129 1
1 42 . 2 1 1 A 12 12 HIS HA H 12 4.443 4.355 0.088 1
1 43 . 2 1 1 A 12 12 HIS CB C 12 29.321 28.731 0.590 1
1 50 . 2 1 1 A 12 12 HIS C C 12 176.189 176.149 0.040 1
1 51 . 2 1 1 A 13 13 LYS N N 13 118.111 117.915 0.196 1
1 52 . 2 1 1 A 13 13 LYS H H 13 7.558 7.100 0.458 1
1 53 . 2 1 1 A 13 13 LYS CA C 13 54.660 55.561 -0.901 1
1 54 . 2 1 1 A 13 13 LYS HA H 13 4.202 4.029 0.173 1
1 55 . 2 1 1 A 13 13 LYS CB C 13 32.655 32.063 0.592 1
1 67 . 2 1 1 A 13 13 LYS C C 13 176.721 174.723 1.998 1
1 68 . 2 1 1 A 14 14 VAL N N 14 123.625 119.535 4.090 1
1 69 . 2 1 1 A 14 14 VAL H H 14 7.499 7.314 0.185 1
1 70 . 2 1 1 A 14 14 VAL CA C 14 63.247 61.183 2.064 1
1 71 . 2 1 1 A 14 14 VAL HA H 14 3.907 4.305 -0.398 1
1 72 . 2 1 1 A 14 14 VAL CB C 14 31.649 33.672 -2.023 1
1 82 . 2 1 1 A 15 15 ARG H H 15 8.106 8.994 -0.888 1
1 83 . 2 1 1 A 15 15 ARG CA C 15 53.791 54.285 -0.494 1
1 84 . 2 1 1 A 15 15 ARG HA H 15 5.021 4.951 0.070 1
1 85 . 2 1 1 A 15 15 ARG CB C 15 34.207 33.042 1.165 1
1 94 . 2 1 1 A 16 16 ALA N N 16 123.795 128.954 -5.159 1
1 95 . 2 1 1 A 16 16 ALA H H 16 8.875 8.904 -0.029 1
1 96 . 2 1 1 A 16 16 ALA CA C 16 51.092 50.284 0.808 1
1 97 . 2 1 1 A 16 16 ALA HA H 16 5.569 5.273 0.296 1
1 98 . 2 1 1 A 16 16 ALA CB C 16 23.845 21.482 2.363 1
1 102 . 2 1 1 A 17 17 GLY N N 17 106.516 109.339 -2.823 1
1 103 . 2 1 1 A 17 17 GLY H H 17 8.616 8.480 0.136 1
1 104 . 2 1 1 A 17 17 GLY CA C 17 46.205 45.326 0.879 1
1 105 . 2 1 1 A 17 17 GLY HA2 H 17 4.289 4.212 0.077 1
1 106 . 2 1 1 A 17 17 GLY HA3 H 17 4.226 4.254 -0.028 1
1 107 . 2 1 1 A 18 18 GLY N N 18 111.804 108.177 3.627 1
1 108 . 2 1 1 A 18 18 GLY H H 18 8.816 8.600 0.216 1
1 109 . 2 1 1 A 18 18 GLY CA C 18 44.595 44.683 -0.088 1
1 110 . 2 1 1 A 18 18 GLY HA2 H 18 4.105 4.197 -0.092 1
1 111 . 2 1 1 A 18 18 GLY HA3 H 18 4.105 4.233 -0.128 1
1 112 . 2 1 1 A 19 19 PRO CA C 19 65.526 63.659 1.867 1
1 113 . 2 1 1 A 19 19 PRO HA H 19 4.335 4.352 -0.017 1
1 114 . 2 1 1 A 19 19 PRO CB C 19 31.790 31.291 0.499 1
1 123 . 2 1 1 A 19 19 PRO C C 19 179.208 177.303 1.905 1
1 124 . 2 1 1 A 20 20 GLY N N 20 103.234 112.512 -9.278 1
1 125 . 2 1 1 A 20 20 GLY H H 20 9.282 8.489 0.793 1
1 126 . 2 1 1 A 20 20 GLY CA C 20 46.361 45.515 0.846 1
1 127 . 2 1 1 A 20 20 GLY HA2 H 20 3.214 4.052 -0.838 1
1 128 . 2 1 1 A 20 20 GLY HA3 H 20 4.184 4.122 0.062 1
1 129 . 2 1 1 A 20 20 GLY C C 20 172.711 175.956 -3.245 1
1 130 . 2 1 1 A 21 21 LEU N N 21 116.307 121.968 -5.661 1
1 131 . 2 1 1 A 21 21 LEU H H 21 7.559 7.643 -0.084 1
1 132 . 2 1 1 A 21 21 LEU CA C 21 53.980 55.924 -1.944 1
1 133 . 2 1 1 A 21 21 LEU HA H 21 4.166 4.350 -0.184 1
1 134 . 2 1 1 A 21 21 LEU CB C 21 40.135 42.305 -2.170 1
1 147 . 2 1 1 A 21 21 LEU C C 21 175.859 179.008 -3.149 1
1 148 . 2 1 1 A 22 22 GLU N N 22 119.926 117.112 2.814 1
1 149 . 2 1 1 A 22 22 GLU H H 22 7.927 8.520 -0.593 1
1 150 . 2 1 1 A 22 22 GLU CA C 22 57.490 58.393 -0.903 1
1 151 . 2 1 1 A 22 22 GLU HA H 22 4.511 4.194 0.317 1
1 152 . 2 1 1 A 22 22 GLU CB C 22 32.057 29.272 2.785 1
1 158 . 2 1 1 A 22 22 GLU C C 22 175.521 176.486 -0.965 1
1 159 . 2 1 1 A 23 23 ARG N N 23 116.789 119.262 -2.473 1
1 160 . 2 1 1 A 23 23 ARG H H 23 8.340 7.619 0.721 1
1 161 . 2 1 1 A 23 23 ARG CA C 23 56.464 55.793 0.671 1
1 162 . 2 1 1 A 23 23 ARG HA H 23 4.688 4.684 0.004 1
1 163 . 2 1 1 A 23 23 ARG CB C 23 32.571 33.985 -1.414 1
1 174 . 2 1 1 A 23 23 ARG C C 23 173.992 174.327 -0.335 1
1 175 . 2 1 1 A 24 24 GLY N N 24 108.837 112.666 -3.829 1
1 176 . 2 1 1 A 24 24 GLY H H 24 8.736 8.990 -0.254 1
1 177 . 2 1 1 A 24 24 GLY CA C 24 43.943 44.634 -0.691 1
1 178 . 2 1 1 A 24 24 GLY HA2 H 24 3.510 4.302 -0.792 1
1 179 . 2 1 1 A 24 24 GLY HA3 H 24 4.679 4.357 0.322 1
1 180 . 2 1 1 A 24 24 GLY C C 24 171.930 172.618 -0.688 1
1 181 . 2 1 1 A 25 25 GLU N N 25 122.126 120.838 1.288 1
1 182 . 2 1 1 A 25 25 GLU H H 25 9.429 8.510 0.919 1
1 183 . 2 1 1 A 25 25 GLU CA C 25 54.209 54.732 -0.523 1
1 184 . 2 1 1 A 25 25 GLU HA H 25 5.049 5.239 -0.190 1
1 185 . 2 1 1 A 25 25 GLU CB C 25 32.945 33.208 -0.263 1
1 191 . 2 1 1 A 25 25 GLU C C 25 175.853 175.861 -0.008 1
1 192 . 2 1 1 A 26 26 ALA N N 26 128.654 127.127 1.527 1
1 193 . 2 1 1 A 26 26 ALA H H 26 8.518 9.077 -0.559 1
1 194 . 2 1 1 A 26 26 ALA CA C 26 53.187 53.956 -0.769 1
1 195 . 2 1 1 A 26 26 ALA HA H 26 3.855 4.353 -0.498 1
1 196 . 2 1 1 A 26 26 ALA CB C 26 17.420 18.333 -0.913 1
1 200 . 2 1 1 A 26 26 ALA C C 26 177.837 178.172 -0.335 1
1 201 . 2 1 1 A 27 27 GLY N N 27 108.210 111.245 -3.035 1
1 202 . 2 1 1 A 27 27 GLY H H 27 8.583 8.513 0.070 1
1 203 . 2 1 1 A 27 27 GLY CA C 27 45.619 45.001 0.618 1
1 204 . 2 1 1 A 27 27 GLY HA2 H 27 3.364 3.946 -0.582 1
1 205 . 2 1 1 A 27 27 GLY HA3 H 27 4.158 3.949 0.209 1
1 206 . 2 1 1 A 27 27 GLY C C 27 173.084 173.501 -0.417 1
1 207 . 2 1 1 A 28 28 VAL N N 28 122.974 122.416 0.558 1
1 208 . 2 1 1 A 28 28 VAL H H 28 7.878 7.680 0.198 1
1 209 . 2 1 1 A 28 28 VAL CA C 28 59.182 58.855 0.327 1
1 210 . 2 1 1 A 28 28 VAL HA H 28 4.510 4.366 0.144 1
1 211 . 2 1 1 A 28 28 VAL CB C 28 34.549 33.706 0.843 1
1 221 . 2 1 1 A 28 28 VAL C C 28 174.171 174.775 -0.604 1
1 222 . 2 1 1 A 29 29 PRO CA C 29 64.354 62.273 2.081 1
1 223 . 2 1 1 A 29 29 PRO HA H 29 4.064 4.477 -0.413 1
1 224 . 2 1 1 A 29 29 PRO CB C 29 31.464 31.730 -0.266 1
1 233 . 2 1 1 A 29 29 PRO C C 29 174.718 175.805 -1.087 1
1 234 . 2 1 1 A 30 30 ALA N N 30 131.821 126.434 5.387 1
1 235 . 2 1 1 A 30 30 ALA H H 30 8.990 8.125 0.865 1
1 236 . 2 1 1 A 30 30 ALA CA C 30 50.482 50.809 -0.327 1
1 237 . 2 1 1 A 30 30 ALA HA H 30 4.558 4.524 0.034 1
1 238 . 2 1 1 A 30 30 ALA CB C 30 18.793 19.594 -0.801 1
1 242 . 2 1 1 A 30 30 ALA C C 30 176.319 176.048 0.271 1
1 243 . 2 1 1 A 31 31 GLU N N 31 119.523 124.010 -4.487 1
1 244 . 2 1 1 A 31 31 GLU H H 31 8.273 8.808 -0.535 1
1 245 . 2 1 1 A 31 31 GLU CA C 31 55.261 55.257 0.004 1
1 246 . 2 1 1 A 31 31 GLU HA H 31 5.290 5.269 0.021 1
1 247 . 2 1 1 A 31 31 GLU CB C 31 33.484 32.048 1.436 1
1 253 . 2 1 1 A 31 31 GLU C C 31 176.617 176.081 0.536 1
1 254 . 2 1 1 A 32 32 PHE N N 32 115.139 118.908 -3.769 1
1 255 . 2 1 1 A 32 32 PHE H H 32 8.905 8.279 0.626 1
1 256 . 2 1 1 A 32 32 PHE CA C 32 57.490 56.355 1.135 1
1 257 . 2 1 1 A 32 32 PHE HA H 32 5.031 5.159 -0.128 1
1 258 . 2 1 1 A 32 32 PHE CB C 32 39.989 41.822 -1.833 1
1 271 . 2 1 1 A 32 32 PHE C C 32 172.714 172.243 0.471 1
1 272 . 2 1 1 A 33 33 SER CA C 33 57.324 58.287 -0.963 1
1 273 . 2 1 1 A 33 33 SER HA H 33 5.404 5.048 0.356 1
1 274 . 2 1 1 A 33 33 SER CB C 33 66.623 64.597 2.026 1
1 277 . 2 1 1 A 34 34 ILE N N 34 127.688 119.989 7.699 1
1 278 . 2 1 1 A 34 34 ILE H H 34 9.577 9.172 0.405 1
1 279 . 2 1 1 A 34 34 ILE CA C 34 60.614 59.804 0.810 1
1 280 . 2 1 1 A 34 34 ILE HA H 34 4.668 5.163 -0.495 1
1 281 . 2 1 1 A 34 34 ILE CB C 34 41.681 40.568 1.113 1
1 294 . 2 1 1 A 35 35 TRP CA C 35 58.440 54.534 3.906 1
1 295 . 2 1 1 A 35 35 TRP HA H 35 5.262 6.001 -0.739 1
1 296 . 2 1 1 A 35 35 TRP CB C 35 30.511 33.291 -2.780 1
1 311 . 2 1 1 A 36 36 THR N N 36 114.021 114.502 -0.481 1
1 312 . 2 1 1 A 36 36 THR H H 36 8.680 8.822 -0.142 1
1 313 . 2 1 1 A 36 36 THR CA C 36 61.459 60.854 0.605 1
1 314 . 2 1 1 A 36 36 THR HA H 36 4.364 4.617 -0.253 1
1 315 . 2 1 1 A 36 36 THR CB C 36 69.197 70.622 -1.425 1
1 321 . 2 1 1 A 37 37 ARG CA C 37 56.501 57.987 -1.486 1
1 322 . 2 1 1 A 37 37 ARG HA H 37 4.207 4.453 -0.246 1
1 323 . 2 1 1 A 37 37 ARG CB C 37 30.884 30.995 -0.111 1
1 332 . 2 1 1 A 37 37 ARG C C 37 173.005 178.210 -5.205 1
1 333 . 2 1 1 A 38 38 GLU H H 38 8.371 8.137 0.234 1
1 334 . 2 1 1 A 38 38 GLU CA C 38 56.895 59.585 -2.690 1
1 335 . 2 1 1 A 38 38 GLU HA H 38 4.270 4.057 0.213 1
1 336 . 2 1 1 A 38 38 GLU CB C 38 30.001 29.424 0.577 1
1 342 . 2 1 1 A 39 39 ALA N N 39 121.133 120.505 0.628 1
1 343 . 2 1 1 A 39 39 ALA H H 39 7.665 7.703 -0.038 1
1 344 . 2 1 1 A 39 39 ALA CA C 39 52.963 54.310 -1.347 1
1 345 . 2 1 1 A 39 39 ALA HA H 39 3.964 4.075 -0.111 1
1 346 . 2 1 1 A 39 39 ALA CB C 39 21.097 19.336 1.761 1
1 350 . 2 1 1 A 39 39 ALA C C 39 177.871 178.218 -0.347 1
1 351 . 2 1 1 A 40 40 GLY N N 40 105.600 103.551 2.049 1
1 352 . 2 1 1 A 40 40 GLY H H 40 7.654 7.117 0.537 1
1 353 . 2 1 1 A 40 40 GLY CA C 40 44.261 44.261 0.000 1
1 354 . 2 1 1 A 40 40 GLY HA2 H 40 3.766 4.150 -0.384 1
1 355 . 2 1 1 A 40 40 GLY HA3 H 40 4.196 4.175 0.021 1
1 356 . 2 1 1 A 40 40 GLY C C 40 172.824 172.938 -0.114 1
1 357 . 2 1 1 A 41 41 ALA N N 41 122.720 123.589 -0.869 1
1 358 . 2 1 1 A 41 41 ALA H H 41 8.364 8.275 0.089 1
1 359 . 2 1 1 A 41 41 ALA CA C 41 52.502 52.611 -0.109 1
1 360 . 2 1 1 A 41 41 ALA HA H 41 4.396 4.438 -0.042 1
1 361 . 2 1 1 A 41 41 ALA CB C 41 19.295 19.218 0.077 1
1 365 . 2 1 1 A 41 41 ALA C C 41 178.393 177.892 0.501 1
1 366 . 2 1 1 A 42 42 GLY N N 42 109.713 110.514 -0.801 1
1 367 . 2 1 1 A 42 42 GLY H H 42 8.194 8.666 -0.472 1
1 368 . 2 1 1 A 42 42 GLY CA C 42 45.853 44.079 1.774 1
1 369 . 2 1 1 A 42 42 GLY HA2 H 42 3.616 4.086 -0.470 1
1 370 . 2 1 1 A 42 42 GLY HA3 H 42 3.761 4.300 -0.539 1
1 371 . 2 1 1 A 42 42 GLY C C 42 172.178 172.544 -0.366 1
1 372 . 2 1 1 A 43 43 GLY N N 43 105.505 107.376 -1.871 1
1 373 . 2 1 1 A 43 43 GLY H H 43 7.422 8.417 -0.995 1
1 374 . 2 1 1 A 43 43 GLY CA C 43 44.382 45.074 -0.692 1
1 375 . 2 1 1 A 43 43 GLY HA2 H 43 3.420 3.953 -0.533 1
1 376 . 2 1 1 A 43 43 GLY HA3 H 43 4.295 3.994 0.301 1
1 377 . 2 1 1 A 43 43 GLY C C 43 172.885 172.951 -0.066 1
1 378 . 2 1 1 A 44 44 LEU N N 44 125.007 122.774 2.233 1
1 379 . 2 1 1 A 44 44 LEU H H 44 8.525 8.588 -0.063 1
1 380 . 2 1 1 A 44 44 LEU CA C 44 53.589 53.937 -0.348 1
1 381 . 2 1 1 A 44 44 LEU HA H 44 5.357 5.025 0.332 1
1 382 . 2 1 1 A 44 44 LEU CB C 44 45.602 45.436 0.166 1
1 395 . 2 1 1 A 44 44 LEU C C 44 177.034 174.641 2.393 1
1 396 . 2 1 1 A 45 45 SER N N 45 117.626 120.170 -2.544 1
1 397 . 2 1 1 A 45 45 SER H H 45 9.010 8.737 0.273 1
1 398 . 2 1 1 A 45 45 SER CA C 45 57.065 56.673 0.392 1
1 399 . 2 1 1 A 45 45 SER HA H 45 4.660 5.233 -0.573 1
1 400 . 2 1 1 A 45 45 SER CB C 45 65.309 64.475 0.834 1
1 403 . 2 1 1 A 45 45 SER C C 45 172.724 173.713 -0.989 1
1 404 . 2 1 1 A 46 46 ILE N N 46 125.604 126.552 -0.948 1
1 405 . 2 1 1 A 46 46 ILE H H 46 8.584 9.011 -0.427 1
1 406 . 2 1 1 A 46 46 ILE CA C 46 59.369 59.819 -0.450 1
1 407 . 2 1 1 A 46 46 ILE HA H 46 5.182 5.115 0.067 1
1 408 . 2 1 1 A 46 46 ILE CB C 46 40.879 41.309 -0.430 1
1 421 . 2 1 1 A 46 46 ILE C C 46 174.318 174.940 -0.622 1
1 422 . 2 1 1 A 47 47 ALA N N 47 128.948 127.908 1.040 1
1 423 . 2 1 1 A 47 47 ALA H H 47 8.762 8.601 0.161 1
1 424 . 2 1 1 A 47 47 ALA CA C 47 51.123 51.367 -0.244 1
1 425 . 2 1 1 A 47 47 ALA HA H 47 4.724 5.115 -0.391 1
1 426 . 2 1 1 A 47 47 ALA CB C 47 22.575 21.057 1.518 1
1 430 . 2 1 1 A 47 47 ALA C C 47 175.131 175.556 -0.425 1
1 431 . 2 1 1 A 48 48 VAL N N 48 121.512 124.041 -2.529 1
1 432 . 2 1 1 A 48 48 VAL H H 48 8.640 9.094 -0.454 1
1 433 . 2 1 1 A 48 48 VAL CA C 48 61.770 62.189 -0.419 1
1 434 . 2 1 1 A 48 48 VAL HA H 48 4.749 4.467 0.282 1
1 435 . 2 1 1 A 48 48 VAL CB C 48 33.642 31.729 1.913 1
1 445 . 2 1 1 A 48 48 VAL C C 48 174.870 175.507 -0.637 1
1 446 . 2 1 1 A 49 49 GLU N N 49 126.757 126.993 -0.236 1
1 447 . 2 1 1 A 49 49 GLU H H 49 8.898 8.758 0.140 1
1 448 . 2 1 1 A 49 49 GLU CA C 49 54.457 54.844 -0.387 1
1 449 . 2 1 1 A 49 49 GLU HA H 49 5.003 5.278 -0.275 1
1 450 . 2 1 1 A 49 49 GLU CB C 49 33.209 32.431 0.778 1
1 456 . 2 1 1 A 49 49 GLU C C 49 175.282 176.408 -1.126 1
1 457 . 2 1 1 A 50 50 GLY N N 50 112.668 110.393 2.275 1
1 458 . 2 1 1 A 50 50 GLY H H 50 8.563 8.370 0.193 1
1 459 . 2 1 1 A 50 50 GLY CA C 50 45.534 45.159 0.375 1
1 460 . 2 1 1 A 50 50 GLY HA2 H 50 3.481 3.634 -0.153 1
1 461 . 2 1 1 A 50 50 GLY HA3 H 50 3.836 4.007 -0.171 1
1 462 . 2 1 1 A 50 50 GLY C C 50 171.670 174.032 -2.362 1
1 463 . 2 1 1 A 51 51 PRO CA C 51 64.371 63.958 0.413 1
1 464 . 2 1 1 A 51 51 PRO HA H 51 4.309 4.384 -0.075 1
1 465 . 2 1 1 A 51 51 PRO CB C 51 32.183 31.786 0.397 1
1 474 . 2 1 1 A 51 51 PRO C C 51 175.938 175.769 0.169 1
1 475 . 2 1 1 A 52 52 SER N N 52 109.776 111.775 -1.999 1
1 476 . 2 1 1 A 52 52 SER H H 52 7.281 7.435 -0.154 1
1 477 . 2 1 1 A 52 52 SER CA C 52 56.747 56.909 -0.162 1
1 478 . 2 1 1 A 52 52 SER HA H 52 4.688 4.659 0.029 1
1 479 . 2 1 1 A 52 52 SER CB C 52 65.901 65.549 0.352 1
1 482 . 2 1 1 A 52 52 SER C C 52 172.748 172.824 -0.076 1
1 483 . 2 1 1 A 53 53 LYS N N 53 121.441 125.642 -4.201 1
1 484 . 2 1 1 A 53 53 LYS H H 53 8.607 8.413 0.194 1
1 485 . 2 1 1 A 53 53 LYS CA C 53 56.641 57.201 -0.560 1
1 486 . 2 1 1 A 53 53 LYS HA H 53 4.391 4.341 0.050 1
1 487 . 2 1 1 A 53 53 LYS CB C 53 32.323 33.450 -1.127 1
1 499 . 2 1 1 A 53 53 LYS C C 53 175.721 175.673 0.048 1
1 500 . 2 1 1 A 54 54 ALA N N 54 129.914 128.641 1.273 1
1 501 . 2 1 1 A 54 54 ALA H H 54 8.941 8.619 0.322 1
1 502 . 2 1 1 A 54 54 ALA CA C 54 50.924 50.527 0.397 1
1 503 . 2 1 1 A 54 54 ALA HA H 54 4.962 5.365 -0.403 1
1 504 . 2 1 1 A 54 54 ALA CB C 54 20.004 22.395 -2.391 1
1 508 . 2 1 1 A 54 54 ALA C C 54 176.618 175.831 0.787 1
1 509 . 2 1 1 A 55 55 GLU N N 55 122.179 123.748 -1.569 1
1 510 . 2 1 1 A 55 55 GLU H H 55 8.153 8.781 -0.628 1
1 511 . 2 1 1 A 55 55 GLU CA C 55 55.689 56.785 -1.096 1
1 512 . 2 1 1 A 55 55 GLU HA H 55 4.569 4.460 0.109 1
1 513 . 2 1 1 A 55 55 GLU CB C 55 31.003 30.558 0.445 1
1 519 . 2 1 1 A 55 55 GLU C C 55 176.867 175.553 1.314 1
1 520 . 2 1 1 A 56 56 ILE N N 56 127.733 126.305 1.428 1
1 521 . 2 1 1 A 56 56 ILE H H 56 8.948 8.601 0.347 1
1 522 . 2 1 1 A 56 56 ILE CA C 56 61.345 60.434 0.911 1
1 523 . 2 1 1 A 56 56 ILE HA H 56 4.744 5.156 -0.412 1
1 524 . 2 1 1 A 56 56 ILE CB C 56 40.978 41.851 -0.873 1
1 537 . 2 1 1 A 56 56 ILE C C 56 175.675 174.905 0.770 1
1 538 . 2 1 1 A 57 57 THR N N 57 124.172 123.151 1.021 1
1 539 . 2 1 1 A 57 57 THR H H 57 9.410 8.631 0.779 1
1 540 . 2 1 1 A 57 57 THR CA C 57 61.999 61.499 0.500 1
1 541 . 2 1 1 A 57 57 THR HA H 57 4.504 5.036 -0.532 1
1 542 . 2 1 1 A 57 57 THR CB C 57 70.660 71.008 -0.348 1
1 548 . 2 1 1 A 57 57 THR C C 57 172.131 172.625 -0.494 1
1 549 . 2 1 1 A 58 58 PHE N N 58 126.429 128.640 -2.211 1
1 550 . 2 1 1 A 58 58 PHE H H 58 8.796 9.117 -0.321 1
1 551 . 2 1 1 A 58 58 PHE CA C 58 56.680 56.095 0.585 1
1 552 . 2 1 1 A 58 58 PHE HA H 58 4.981 5.291 -0.310 1
1 553 . 2 1 1 A 58 58 PHE CB C 58 42.400 41.385 1.015 1
1 566 . 2 1 1 A 58 58 PHE C C 58 173.719 173.423 0.296 1
1 567 . 2 1 1 A 59 59 ASP N N 59 126.210 126.114 0.096 1
1 568 . 2 1 1 A 59 59 ASP H H 59 8.707 8.651 0.056 1
1 569 . 2 1 1 A 59 59 ASP CA C 59 52.784 53.752 -0.968 1
1 570 . 2 1 1 A 59 59 ASP HA H 59 4.677 5.176 -0.499 1
1 571 . 2 1 1 A 59 59 ASP CB C 59 42.738 42.258 0.480 1
1 574 . 2 1 1 A 59 59 ASP C C 59 173.710 174.344 -0.634 1
1 575 . 2 1 1 A 60 60 ASP N N 60 123.675 125.409 -1.734 1
1 576 . 2 1 1 A 60 60 ASP H H 60 8.490 9.081 -0.591 1
1 577 . 2 1 1 A 60 60 ASP CA C 60 53.871 53.395 0.476 1
1 578 . 2 1 1 A 60 60 ASP HA H 60 4.447 5.222 -0.775 1
1 579 . 2 1 1 A 60 60 ASP CB C 60 41.108 41.060 0.048 1
1 582 . 2 1 1 A 60 60 ASP C C 60 176.691 175.194 1.497 1
1 583 . 2 1 1 A 61 61 HIS N N 61 124.385 123.286 1.099 1
1 584 . 2 1 1 A 61 61 HIS H H 61 8.122 8.372 -0.250 1
1 585 . 2 1 1 A 61 61 HIS CA C 61 55.608 56.482 -0.874 1
1 586 . 2 1 1 A 61 61 HIS HA H 61 4.769 4.935 -0.166 1
1 587 . 2 1 1 A 61 61 HIS CB C 61 28.607 32.596 -3.989 1
1 594 . 2 1 1 A 61 61 HIS C C 61 175.701 173.870 1.831 1
1 595 . 2 1 1 A 62 62 LYS N N 62 115.195 124.660 -9.465 1
1 596 . 2 1 1 A 62 62 LYS H H 62 9.178 8.386 0.792 1
1 597 . 2 1 1 A 62 62 LYS CA C 62 57.585 55.515 2.070 1
1 598 . 2 1 1 A 62 62 LYS HA H 62 4.028 4.323 -0.295 1
1 599 . 2 1 1 A 62 62 LYS CB C 62 29.373 31.279 -1.906 1
1 611 . 2 1 1 A 63 63 ASN N N 63 116.167 123.262 -7.095 1
1 612 . 2 1 1 A 63 63 ASN H H 63 7.900 8.543 -0.643 1
1 613 . 2 1 1 A 63 63 ASN CA C 63 52.056 53.360 -1.304 1
1 614 . 2 1 1 A 63 63 ASN HA H 63 4.835 5.171 -0.336 1
1 615 . 2 1 1 A 63 63 ASN CB C 63 38.468 40.661 -2.193 1
1 621 . 2 1 1 A 63 63 ASN C C 63 176.634 175.040 1.594 1
1 622 . 2 1 1 A 64 64 GLY N N 64 108.877 106.018 2.859 1
1 623 . 2 1 1 A 64 64 GLY H H 64 8.718 7.292 1.426 1
1 624 . 2 1 1 A 64 64 GLY CA C 64 45.534 45.387 0.147 1
1 625 . 2 1 1 A 64 64 GLY HA2 H 64 3.619 4.057 -0.438 1
1 626 . 2 1 1 A 64 64 GLY HA3 H 64 4.247 4.062 0.185 1
1 627 . 2 1 1 A 65 65 SER N N 65 115.229 120.005 -4.776 1
1 628 . 2 1 1 A 65 65 SER H H 65 7.962 9.070 -1.108 1
1 629 . 2 1 1 A 65 65 SER CA C 65 57.108 58.922 -1.814 1
1 630 . 2 1 1 A 65 65 SER HA H 65 5.531 4.082 1.449 1
1 631 . 2 1 1 A 65 65 SER CB C 65 67.290 61.319 5.971 1
1 634 . 2 1 1 A 66 66 CYS N N 66 118.007 119.828 -1.821 1
1 635 . 2 1 1 A 66 66 CYS H H 66 8.807 7.811 0.996 1
1 636 . 2 1 1 A 66 66 CYS CA C 66 56.476 58.267 -1.791 1
1 637 . 2 1 1 A 66 66 CYS HA H 66 4.672 4.420 0.252 1
1 638 . 2 1 1 A 66 66 CYS CB C 66 31.077 28.292 2.785 1
1 641 . 2 1 1 A 67 67 GLY N N 67 112.448 112.473 -0.025 1
1 642 . 2 1 1 A 67 67 GLY H H 67 8.679 8.378 0.301 1
1 643 . 2 1 1 A 67 67 GLY CA C 67 45.004 44.349 0.655 1
1 644 . 2 1 1 A 67 67 GLY HA2 H 67 3.629 3.962 -0.333 1
1 645 . 2 1 1 A 67 67 GLY HA3 H 67 4.645 3.986 0.659 1
1 646 . 2 1 1 A 67 67 GLY C C 67 171.754 172.591 -0.837 1
1 647 . 2 1 1 A 68 68 VAL N N 68 123.840 120.504 3.336 1
1 648 . 2 1 1 A 68 68 VAL H H 68 8.486 7.723 0.763 1
1 649 . 2 1 1 A 68 68 VAL CA C 68 60.143 60.939 -0.796 1
1 650 . 2 1 1 A 68 68 VAL HA H 68 4.579 4.435 0.144 1
1 651 . 2 1 1 A 68 68 VAL CB C 68 33.946 33.164 0.782 1
1 661 . 2 1 1 A 68 68 VAL C C 68 174.396 175.440 -1.044 1
1 662 . 2 1 1 A 69 69 SER N N 69 119.414 120.064 -0.650 1
1 663 . 2 1 1 A 69 69 SER H H 69 8.450 8.429 0.021 1
1 664 . 2 1 1 A 69 69 SER CA C 69 56.169 55.551 0.618 1
1 665 . 2 1 1 A 69 69 SER HA H 69 5.442 5.497 -0.055 1
1 666 . 2 1 1 A 69 69 SER CB C 69 65.640 66.300 -0.660 1
1 669 . 2 1 1 A 69 69 SER C C 69 173.189 173.267 -0.078 1
1 670 . 2 1 1 A 70 70 TYR N N 70 119.504 117.710 1.794 1
1 671 . 2 1 1 A 70 70 TYR H H 70 8.771 8.768 0.003 1
1 672 . 2 1 1 A 70 70 TYR CA C 70 54.962 56.301 -1.339 1
1 673 . 2 1 1 A 70 70 TYR HA H 70 5.922 5.663 0.259 1
1 674 . 2 1 1 A 70 70 TYR CB C 70 42.710 41.266 1.444 1
1 685 . 2 1 1 A 70 70 TYR C C 70 173.056 172.796 0.260 1
1 686 . 2 1 1 A 71 71 ILE N N 71 117.727 122.535 -4.808 1
1 687 . 2 1 1 A 71 71 ILE H H 71 8.196 8.634 -0.438 1
1 688 . 2 1 1 A 71 71 ILE CA C 71 60.132 59.859 0.273 1
1 689 . 2 1 1 A 71 71 ILE HA H 71 4.161 4.679 -0.518 1
1 690 . 2 1 1 A 71 71 ILE CB C 71 40.790 41.229 -0.439 1
1 703 . 2 1 1 A 71 71 ILE C C 71 175.114 174.872 0.242 1
1 704 . 2 1 1 A 72 72 ALA N N 72 133.145 129.152 3.993 1
1 705 . 2 1 1 A 72 72 ALA H H 72 9.466 8.514 0.952 1
1 706 . 2 1 1 A 72 72 ALA CA C 72 50.261 50.657 -0.396 1
1 707 . 2 1 1 A 72 72 ALA HA H 72 4.567 4.438 0.129 1
1 708 . 2 1 1 A 72 72 ALA CB C 72 19.699 18.227 1.472 1
1 712 . 2 1 1 A 72 72 ALA C C 72 177.170 177.789 -0.619 1
1 713 . 2 1 1 A 73 73 GLN N N 73 120.464 124.652 -4.188 1
1 714 . 2 1 1 A 73 73 GLN H H 73 8.649 8.598 0.051 1
1 715 . 2 1 1 A 73 73 GLN CA C 73 57.614 59.476 -1.862 1
1 716 . 2 1 1 A 73 73 GLN HA H 73 4.083 4.038 0.045 1
1 717 . 2 1 1 A 73 73 GLN CB C 73 29.667 28.722 0.945 1
1 726 . 2 1 1 A 73 73 GLN C C 73 175.643 176.713 -1.070 1
1 727 . 2 1 1 A 74 74 GLU N N 74 114.557 117.948 -3.391 1
1 728 . 2 1 1 A 74 74 GLU H H 74 7.102 8.222 -1.120 1
1 729 . 2 1 1 A 74 74 GLU CA C 74 52.242 53.252 -1.010 1
1 730 . 2 1 1 A 74 74 GLU HA H 74 4.988 4.705 0.283 1
1 731 . 2 1 1 A 74 74 GLU CB C 74 31.732 30.271 1.461 1
1 737 . 2 1 1 A 74 74 GLU C C 74 174.462 174.175 0.287 1
1 738 . 2 1 1 A 75 75 PRO CA C 75 63.007 63.211 -0.204 1
1 739 . 2 1 1 A 75 75 PRO HA H 75 4.335 4.733 -0.398 1
1 740 . 2 1 1 A 75 75 PRO CB C 75 32.866 32.595 0.271 1
1 749 . 2 1 1 A 75 75 PRO C C 75 174.572 175.844 -1.272 1
1 750 . 2 1 1 A 76 76 GLY N N 76 107.234 107.680 -0.446 1
1 751 . 2 1 1 A 76 76 GLY H H 76 9.012 8.495 0.517 1
1 752 . 2 1 1 A 76 76 GLY CA C 76 44.615 45.133 -0.518 1
1 753 . 2 1 1 A 76 76 GLY HA2 H 76 3.850 4.125 -0.275 1
1 754 . 2 1 1 A 76 76 GLY HA3 H 76 4.201 4.184 0.017 1
1 755 . 2 1 1 A 76 76 GLY C C 76 171.133 172.994 -1.861 1
1 756 . 2 1 1 A 77 77 ASN N N 77 119.292 117.397 1.895 1
1 757 . 2 1 1 A 77 77 ASN H H 77 8.549 8.530 0.019 1
1 758 . 2 1 1 A 77 77 ASN CA C 77 52.364 52.104 0.260 1
1 759 . 2 1 1 A 77 77 ASN HA H 77 5.369 5.225 0.144 1
1 760 . 2 1 1 A 77 77 ASN CB C 77 39.176 38.590 0.586 1
1 766 . 2 1 1 A 77 77 ASN C C 77 174.470 173.831 0.639 1
1 767 . 2 1 1 A 78 78 TYR N N 78 123.809 124.663 -0.854 1
1 768 . 2 1 1 A 78 78 TYR H H 78 9.094 8.906 0.188 1
1 769 . 2 1 1 A 78 78 TYR CA C 78 56.818 57.961 -1.143 1
1 770 . 2 1 1 A 78 78 TYR HA H 78 4.859 4.893 -0.034 1
1 771 . 2 1 1 A 78 78 TYR CB C 78 39.860 39.535 0.325 1
1 782 . 2 1 1 A 78 78 TYR C C 78 174.184 174.924 -0.740 1
1 783 . 2 1 1 A 79 79 GLU N N 79 122.250 125.802 -3.552 1
1 784 . 2 1 1 A 79 79 GLU H H 79 9.259 9.002 0.257 1
1 785 . 2 1 1 A 79 79 GLU CA C 79 54.692 55.749 -1.057 1
1 786 . 2 1 1 A 79 79 GLU HA H 79 5.313 5.064 0.249 1
1 787 . 2 1 1 A 79 79 GLU CB C 79 32.159 30.652 1.507 1
1 793 . 2 1 1 A 79 79 GLU C C 79 176.631 175.150 1.481 1
1 794 . 2 1 1 A 80 80 VAL N N 80 131.418 128.389 3.029 1
1 795 . 2 1 1 A 80 80 VAL H H 80 9.761 8.654 1.107 1
1 796 . 2 1 1 A 80 80 VAL CA C 80 61.522 62.175 -0.653 1
1 797 . 2 1 1 A 80 80 VAL HA H 80 4.801 4.548 0.253 1
1 798 . 2 1 1 A 80 80 VAL CB C 80 32.818 31.823 0.995 1
1 808 . 2 1 1 A 80 80 VAL C C 80 175.573 175.051 0.522 1
1 809 . 2 1 1 A 81 81 SER N N 81 123.238 122.639 0.599 1
1 810 . 2 1 1 A 81 81 SER H H 81 9.457 9.076 0.381 1
1 811 . 2 1 1 A 81 81 SER CA C 81 57.589 57.148 0.441 1
1 812 . 2 1 1 A 81 81 SER HA H 81 5.167 5.073 0.094 1
1 813 . 2 1 1 A 81 81 SER CB C 81 64.882 64.042 0.840 1
1 816 . 2 1 1 A 81 81 SER C C 81 173.514 173.798 -0.284 1
1 817 . 2 1 1 A 82 82 ILE N N 82 126.261 128.549 -2.288 1
1 818 . 2 1 1 A 82 82 ILE H H 82 9.642 9.113 0.529 1
1 819 . 2 1 1 A 82 82 ILE CA C 82 60.992 59.722 1.270 1
1 820 . 2 1 1 A 82 82 ILE HA H 82 4.667 5.300 -0.633 1
1 821 . 2 1 1 A 82 82 ILE CB C 82 40.692 40.508 0.184 1
1 834 . 2 1 1 A 82 82 ILE C C 82 173.498 175.345 -1.847 1
1 835 . 2 1 1 A 83 83 LYS N N 83 123.477 125.069 -1.592 1
1 836 . 2 1 1 A 83 83 LYS H H 83 8.720 8.674 0.046 1
1 837 . 2 1 1 A 83 83 LYS CA C 83 53.730 55.020 -1.290 1
1 838 . 2 1 1 A 83 83 LYS HA H 83 5.139 5.131 0.008 1
1 839 . 2 1 1 A 83 83 LYS CB C 83 36.351 35.685 0.666 1
1 851 . 2 1 1 A 83 83 LYS C C 83 174.914 174.367 0.547 1
1 852 . 2 1 1 A 84 84 PHE N N 84 122.298 125.927 -3.629 1
1 853 . 2 1 1 A 84 84 PHE H H 84 9.154 9.198 -0.044 1
1 854 . 2 1 1 A 84 84 PHE CA C 84 56.057 57.625 -1.568 1
1 855 . 2 1 1 A 84 84 PHE HA H 84 5.238 4.809 0.429 1
1 856 . 2 1 1 A 84 84 PHE CB C 84 43.136 41.239 1.897 1
1 867 . 2 1 1 A 84 84 PHE C C 84 175.864 175.067 0.797 1
1 868 . 2 1 1 A 85 85 ASN N N 85 127.936 125.234 2.702 1
1 869 . 2 1 1 A 85 85 ASN H H 85 9.040 8.826 0.214 1
1 870 . 2 1 1 A 85 85 ASN CA C 85 54.448 54.412 0.036 1
1 871 . 2 1 1 A 85 85 ASN HA H 85 4.206 4.160 0.046 1
1 872 . 2 1 1 A 85 85 ASN CB C 85 36.554 36.725 -0.171 1
1 878 . 2 1 1 A 85 85 ASN C C 85 174.620 174.204 0.416 1
1 879 . 2 1 1 A 86 86 ASP N N 86 108.763 109.971 -1.208 1
1 880 . 2 1 1 A 86 86 ASP H H 86 8.828 8.425 0.403 1
1 881 . 2 1 1 A 86 86 ASP CA C 86 56.405 55.507 0.898 1
1 882 . 2 1 1 A 86 86 ASP HA H 86 3.946 4.179 -0.233 1
1 883 . 2 1 1 A 86 86 ASP CB C 86 40.367 39.126 1.241 1
1 886 . 2 1 1 A 86 86 ASP C C 86 174.169 174.513 -0.344 1
1 887 . 2 1 1 A 87 87 GLU N N 87 119.289 117.259 2.030 1
1 888 . 2 1 1 A 87 87 GLU H H 87 7.510 7.613 -0.103 1
1 889 . 2 1 1 A 87 87 GLU CA C 87 54.483 54.851 -0.368 1
1 890 . 2 1 1 A 87 87 GLU HA H 87 4.743 4.871 -0.128 1
1 891 . 2 1 1 A 87 87 GLU CB C 87 32.763 32.971 -0.208 1
1 897 . 2 1 1 A 87 87 GLU C C 87 175.825 175.317 0.508 1
1 898 . 2 1 1 A 88 88 HIS N N 88 123.465 120.817 2.648 1
1 899 . 2 1 1 A 88 88 HIS H H 88 8.822 9.197 -0.375 1
1 900 . 2 1 1 A 88 88 HIS CA C 88 59.117 55.670 3.447 1
1 901 . 2 1 1 A 88 88 HIS HA H 88 4.511 4.887 -0.376 1
1 902 . 2 1 1 A 88 88 HIS CB C 88 32.254 29.312 2.942 1
1 909 . 2 1 1 A 88 88 HIS C C 88 177.352 175.398 1.954 1
1 910 . 2 1 1 A 89 89 ILE N N 89 117.945 123.126 -5.181 1
1 911 . 2 1 1 A 89 89 ILE H H 89 8.131 8.441 -0.310 1
1 912 . 2 1 1 A 89 89 ILE CA C 89 61.121 60.176 0.945 1
1 913 . 2 1 1 A 89 89 ILE HA H 89 4.519 4.330 0.189 1
1 914 . 2 1 1 A 89 89 ILE CB C 89 35.538 37.725 -2.187 1
1 927 . 2 1 1 A 89 89 ILE C C 89 173.831 176.654 -2.823 1
1 928 . 2 1 1 A 90 90 PRO CA C 90 66.545 64.292 2.253 1
1 929 . 2 1 1 A 90 90 PRO HA H 90 4.223 4.532 -0.309 1
1 930 . 2 1 1 A 90 90 PRO CB C 90 31.693 31.547 0.146 1
1 939 . 2 1 1 A 90 90 PRO C C 90 177.046 176.447 0.599 1
1 940 . 2 1 1 A 91 91 GLU N N 91 113.835 117.094 -3.259 1
1 941 . 2 1 1 A 91 91 GLU H H 91 8.223 8.151 0.072 1
1 942 . 2 1 1 A 91 91 GLU CA C 91 57.913 56.246 1.667 1
1 943 . 2 1 1 A 91 91 GLU HA H 91 3.733 4.353 -0.620 1
1 944 . 2 1 1 A 91 91 GLU CB C 91 27.681 31.199 -3.518 1
1 950 . 2 1 1 A 91 91 GLU C C 91 173.469 175.619 -2.150 1
1 951 . 2 1 1 A 92 92 SER N N 92 111.462 113.315 -1.853 1
1 952 . 2 1 1 A 92 92 SER H H 92 7.489 7.521 -0.032 1
1 953 . 2 1 1 A 92 92 SER CA C 92 54.873 55.160 -0.287 1
1 954 . 2 1 1 A 92 92 SER HA H 92 4.427 4.662 -0.235 1
1 955 . 2 1 1 A 92 92 SER CB C 92 63.317 64.618 -1.301 1
1 958 . 2 1 1 A 92 92 SER C C 92 174.195 172.716 1.479 1
1 959 . 2 1 1 A 93 93 PRO CA C 93 62.333 62.467 -0.134 1
1 960 . 2 1 1 A 93 93 PRO HA H 93 5.483 4.775 0.708 1
1 961 . 2 1 1 A 93 93 PRO CB C 93 34.386 32.752 1.634 1
1 970 . 2 1 1 A 93 93 PRO C C 93 176.059 174.903 1.156 1
1 971 . 2 1 1 A 94 94 TYR N N 94 122.179 119.371 2.808 1
1 972 . 2 1 1 A 94 94 TYR H H 94 9.372 8.977 0.395 1
1 973 . 2 1 1 A 94 94 TYR CA C 94 57.101 56.856 0.245 1
1 974 . 2 1 1 A 94 94 TYR HA H 94 4.531 5.171 -0.640 1
1 975 . 2 1 1 A 94 94 TYR CB C 94 40.027 41.631 -1.604 1
1 986 . 2 1 1 A 94 94 TYR C C 94 175.281 174.396 0.885 1
1 987 . 2 1 1 A 95 95 LEU N N 95 126.428 124.159 2.269 1
1 988 . 2 1 1 A 95 95 LEU H H 95 8.807 8.775 0.032 1
1 989 . 2 1 1 A 95 95 LEU CA C 95 54.200 53.797 0.403 1
1 990 . 2 1 1 A 95 95 LEU HA H 95 4.981 5.104 -0.123 1
1 991 . 2 1 1 A 95 95 LEU CB C 95 41.894 44.270 -2.376 1
1 1004 . 2 1 1 A 95 95 LEU C C 95 176.295 174.587 1.708 1
1 1005 . 2 1 1 A 96 96 VAL N N 96 130.944 127.551 3.393 1
1 1006 . 2 1 1 A 96 96 VAL H H 96 9.629 8.834 0.795 1
1 1007 . 2 1 1 A 96 96 VAL CA C 96 59.813 59.285 0.528 1
1 1008 . 2 1 1 A 96 96 VAL HA H 96 4.469 4.594 -0.125 1
1 1009 . 2 1 1 A 96 96 VAL CB C 96 35.052 32.833 2.219 1
1 1019 . 2 1 1 A 96 96 VAL C C 96 173.734 175.052 -1.318 1
1 1020 . 2 1 1 A 97 97 PRO CA C 97 62.379 62.370 0.009 1
1 1021 . 2 1 1 A 97 97 PRO HA H 97 5.016 4.787 0.229 1
1 1022 . 2 1 1 A 97 97 PRO CB C 97 32.163 29.955 2.208 1
1 1031 . 2 1 1 A 97 97 PRO C C 97 175.950 176.224 -0.274 1
1 1032 . 2 1 1 A 98 98 VAL N N 98 125.524 123.822 1.702 1
1 1033 . 2 1 1 A 98 98 VAL H H 98 9.196 8.606 0.590 1
1 1034 . 2 1 1 A 98 98 VAL CA C 98 61.345 62.877 -1.532 1
1 1035 . 2 1 1 A 98 98 VAL HA H 98 4.411 4.555 -0.144 1
1 1036 . 2 1 1 A 98 98 VAL CB C 98 32.037 31.816 0.221 1
1 1046 . 2 1 1 A 98 98 VAL C C 98 176.996 176.025 0.971 1
1 1047 . 2 1 1 A 99 99 ILE N N 99 124.035 122.767 1.268 1
1 1048 . 2 1 1 A 99 99 ILE H H 99 8.392 8.796 -0.404 1
1 1049 . 2 1 1 A 99 99 ILE CA C 99 59.802 58.732 1.070 1
1 1050 . 2 1 1 A 99 99 ILE HA H 99 4.651 4.988 -0.337 1
1 1051 . 2 1 1 A 99 99 ILE CB C 99 40.609 41.843 -1.234 1
1 1064 . 2 1 1 A 99 99 ILE C C 99 175.482 174.502 0.980 1
1 1065 . 2 1 1 A 100 100 ALA N N 100 125.837 125.290 0.547 1
1 1066 . 2 1 1 A 100 100 ALA H H 100 8.714 8.549 0.165 1
1 1067 . 2 1 1 A 100 100 ALA CA C 100 50.416 50.185 0.231 1
1 1068 . 2 1 1 A 100 100 ALA HA H 100 4.603 4.488 0.115 1
1 1069 . 2 1 1 A 100 100 ALA CB C 100 18.088 19.733 -1.645 1
1 1073 . 2 1 1 A 100 100 ALA C C 100 175.264 176.401 -1.137 1
1 1074 . 2 1 1 A 101 101 PRO CA C 101 63.104 62.671 0.433 1
1 1075 . 2 1 1 A 101 101 PRO HA H 101 4.483 4.628 -0.145 1
1 1076 . 2 1 1 A 101 101 PRO CB C 101 32.222 31.624 0.598 1
1 1085 . 2 1 1 A 101 101 PRO C C 101 176.976 176.561 0.415 1
1 1086 . 2 1 1 A 102 102 SER N N 102 116.530 117.722 -1.192 1
1 1087 . 2 1 1 A 102 102 SER H H 102 8.527 8.495 0.032 1
1 1088 . 2 1 1 A 102 102 SER CA C 102 58.283 57.924 0.359 1
1 1089 . 2 1 1 A 102 102 SER HA H 102 4.433 4.695 -0.262 1
1 1090 . 2 1 1 A 102 102 SER CB C 102 64.078 63.464 0.614 1
1 1093 . 2 1 1 A 102 102 SER C C 102 174.510 173.041 1.469 1
1 1094 . 2 1 1 A 103 103 ASP N N 103 123.018 128.404 -5.386 1
1 1095 . 2 1 1 A 103 103 ASP H H 103 8.450 9.086 -0.636 1
1 1096 . 2 1 1 A 103 103 ASP CA C 103 54.431 53.356 1.075 1
1 1097 . 2 1 1 A 103 103 ASP HA H 103 4.654 4.969 -0.315 1
1 1098 . 2 1 1 A 103 103 ASP CB C 103 41.226 41.500 -0.274 1
1 1101 . 2 1 1 A 103 103 ASP C C 103 175.889 174.589 1.300 1
1 1102 . 2 1 1 A 104 104 ASP N N 104 120.896 126.042 -5.146 1
1 1103 . 2 1 1 A 104 104 ASP H H 104 8.264 8.769 -0.505 1
1 1104 . 2 1 1 A 104 104 ASP CA C 104 54.283 54.197 0.086 1
1 1105 . 2 1 1 A 104 104 ASP HA H 104 4.601 4.870 -0.269 1
1 1106 . 2 1 1 A 104 104 ASP CB C 104 41.183 41.258 -0.075 1
1 1109 . 2 1 1 A 104 104 ASP C C 104 175.065 175.767 -0.702 1
1 1 . 3 1 1 A 7 7 GLY N N 7 110.767 108.439 2.328 1
1 2 . 3 1 1 A 7 7 GLY H H 7 8.421 7.847 0.574 1
1 3 . 3 1 1 A 7 7 GLY CA C 7 45.393 44.733 0.660 1
1 4 . 3 1 1 A 7 7 GLY HA2 H 7 4.003 4.059 -0.056 1
1 5 . 3 1 1 A 7 7 GLY HA3 H 7 4.003 4.066 -0.063 1
1 6 . 3 1 1 A 7 7 GLY C C 7 174.160 174.814 -0.654 1
1 7 . 3 1 1 A 8 8 GLU N N 8 120.419 118.840 1.579 1
1 8 . 3 1 1 A 8 8 GLU H H 8 8.320 8.408 -0.088 1
1 9 . 3 1 1 A 8 8 GLU CA C 8 56.499 55.320 1.179 1
1 10 . 3 1 1 A 8 8 GLU HA H 8 4.390 4.736 -0.346 1
1 11 . 3 1 1 A 8 8 GLU CB C 8 30.615 29.320 1.295 1
1 17 . 3 1 1 A 8 8 GLU C C 8 176.858 176.775 0.083 1
1 18 . 3 1 1 A 9 9 GLY N N 9 109.731 109.857 -0.126 1
1 19 . 3 1 1 A 9 9 GLY H H 9 8.522 8.209 0.313 1
1 20 . 3 1 1 A 9 9 GLY CA C 9 45.110 44.834 0.276 1
1 21 . 3 1 1 A 9 9 GLY HA2 H 9 4.090 4.058 0.032 1
1 22 . 3 1 1 A 9 9 GLY HA3 H 9 3.931 4.155 -0.224 1
1 23 . 3 1 1 A 9 9 GLY C C 9 173.933 174.156 -0.223 1
1 24 . 3 1 1 A 10 10 GLY N N 10 107.139 109.868 -2.729 1
1 25 . 3 1 1 A 10 10 GLY H H 10 8.393 8.130 0.263 1
1 26 . 3 1 1 A 10 10 GLY CA C 10 45.039 46.421 -1.382 1
1 27 . 3 1 1 A 10 10 GLY HA2 H 10 3.868 4.484 -0.616 1
1 28 . 3 1 1 A 10 10 GLY HA3 H 10 4.528 4.508 0.020 1
1 29 . 3 1 1 A 10 10 GLY C C 10 174.561 174.035 0.526 1
1 30 . 3 1 1 A 11 11 ALA N N 11 122.466 125.529 -3.063 1
1 31 . 3 1 1 A 11 11 ALA H H 11 8.875 8.899 -0.024 1
1 32 . 3 1 1 A 11 11 ALA CA C 11 55.391 55.176 0.215 1
1 33 . 3 1 1 A 11 11 ALA HA H 11 3.803 4.195 -0.392 1
1 34 . 3 1 1 A 11 11 ALA CB C 11 19.583 18.978 0.605 1
1 38 . 3 1 1 A 11 11 ALA C C 11 178.242 179.956 -1.714 1
1 39 . 3 1 1 A 12 12 HIS N N 12 111.513 115.588 -4.075 1
1 40 . 3 1 1 A 12 12 HIS H H 12 8.290 8.725 -0.435 1
1 41 . 3 1 1 A 12 12 HIS CA C 12 57.847 59.180 -1.333 1
1 42 . 3 1 1 A 12 12 HIS HA H 12 4.443 4.387 0.056 1
1 43 . 3 1 1 A 12 12 HIS CB C 12 29.321 28.945 0.376 1
1 50 . 3 1 1 A 12 12 HIS C C 12 176.189 176.140 0.049 1
1 51 . 3 1 1 A 13 13 LYS N N 13 118.111 117.640 0.471 1
1 52 . 3 1 1 A 13 13 LYS H H 13 7.558 7.139 0.419 1
1 53 . 3 1 1 A 13 13 LYS CA C 13 54.660 55.710 -1.050 1
1 54 . 3 1 1 A 13 13 LYS HA H 13 4.202 4.078 0.124 1
1 55 . 3 1 1 A 13 13 LYS CB C 13 32.655 31.583 1.072 1
1 67 . 3 1 1 A 13 13 LYS C C 13 176.721 174.837 1.884 1
1 68 . 3 1 1 A 14 14 VAL N N 14 123.625 119.307 4.318 1
1 69 . 3 1 1 A 14 14 VAL H H 14 7.499 7.300 0.199 1
1 70 . 3 1 1 A 14 14 VAL CA C 14 63.247 61.122 2.125 1
1 71 . 3 1 1 A 14 14 VAL HA H 14 3.907 4.549 -0.642 1
1 72 . 3 1 1 A 14 14 VAL CB C 14 31.649 34.491 -2.842 1
1 82 . 3 1 1 A 15 15 ARG H H 15 8.106 9.214 -1.108 1
1 83 . 3 1 1 A 15 15 ARG CA C 15 53.791 54.013 -0.222 1
1 84 . 3 1 1 A 15 15 ARG HA H 15 5.021 5.337 -0.316 1
1 85 . 3 1 1 A 15 15 ARG CB C 15 34.207 33.601 0.606 1
1 94 . 3 1 1 A 16 16 ALA N N 16 123.795 124.531 -0.736 1
1 95 . 3 1 1 A 16 16 ALA H H 16 8.875 8.729 0.146 1
1 96 . 3 1 1 A 16 16 ALA CA C 16 51.092 51.511 -0.419 1
1 97 . 3 1 1 A 16 16 ALA HA H 16 5.569 5.325 0.244 1
1 98 . 3 1 1 A 16 16 ALA CB C 16 23.845 22.562 1.283 1
1 102 . 3 1 1 A 17 17 GLY N N 17 106.516 108.710 -2.194 1
1 103 . 3 1 1 A 17 17 GLY H H 17 8.616 8.560 0.056 1
1 104 . 3 1 1 A 17 17 GLY CA C 17 46.205 45.292 0.913 1
1 105 . 3 1 1 A 17 17 GLY HA2 H 17 4.289 4.228 0.061 1
1 106 . 3 1 1 A 17 17 GLY HA3 H 17 4.226 4.255 -0.029 1
1 107 . 3 1 1 A 18 18 GLY N N 18 111.804 111.476 0.328 1
1 108 . 3 1 1 A 18 18 GLY H H 18 8.816 8.735 0.081 1
1 109 . 3 1 1 A 18 18 GLY CA C 18 44.595 44.380 0.215 1
1 110 . 3 1 1 A 18 18 GLY HA2 H 18 4.105 4.351 -0.246 1
1 111 . 3 1 1 A 18 18 GLY HA3 H 18 4.105 4.368 -0.263 1
1 112 . 3 1 1 A 19 19 PRO CA C 19 65.526 64.068 1.458 1
1 113 . 3 1 1 A 19 19 PRO HA H 19 4.335 4.549 -0.214 1
1 114 . 3 1 1 A 19 19 PRO CB C 19 31.790 31.687 0.103 1
1 123 . 3 1 1 A 19 19 PRO C C 19 179.208 177.202 2.006 1
1 124 . 3 1 1 A 20 20 GLY N N 20 103.234 106.522 -3.288 1
1 125 . 3 1 1 A 20 20 GLY H H 20 9.282 8.199 1.083 1
1 126 . 3 1 1 A 20 20 GLY CA C 20 46.361 45.513 0.848 1
1 127 . 3 1 1 A 20 20 GLY HA2 H 20 3.214 4.089 -0.875 1
1 128 . 3 1 1 A 20 20 GLY HA3 H 20 4.184 4.147 0.037 1
1 129 . 3 1 1 A 20 20 GLY C C 20 172.711 174.778 -2.067 1
1 130 . 3 1 1 A 21 21 LEU N N 21 116.307 119.110 -2.803 1
1 131 . 3 1 1 A 21 21 LEU H H 21 7.559 7.381 0.178 1
1 132 . 3 1 1 A 21 21 LEU CA C 21 53.980 55.603 -1.623 1
1 133 . 3 1 1 A 21 21 LEU HA H 21 4.166 4.212 -0.046 1
1 134 . 3 1 1 A 21 21 LEU CB C 21 40.135 43.220 -3.085 1
1 147 . 3 1 1 A 21 21 LEU C C 21 175.859 178.370 -2.511 1
1 148 . 3 1 1 A 22 22 GLU N N 22 119.926 118.623 1.303 1
1 149 . 3 1 1 A 22 22 GLU H H 22 7.927 8.616 -0.689 1
1 150 . 3 1 1 A 22 22 GLU CA C 22 57.490 59.110 -1.620 1
1 151 . 3 1 1 A 22 22 GLU HA H 22 4.511 4.132 0.379 1
1 152 . 3 1 1 A 22 22 GLU CB C 22 32.057 29.212 2.845 1
1 158 . 3 1 1 A 22 22 GLU C C 22 175.521 176.392 -0.871 1
1 159 . 3 1 1 A 23 23 ARG N N 23 116.789 118.244 -1.455 1
1 160 . 3 1 1 A 23 23 ARG H H 23 8.340 7.712 0.628 1
1 161 . 3 1 1 A 23 23 ARG CA C 23 56.464 54.688 1.776 1
1 162 . 3 1 1 A 23 23 ARG HA H 23 4.688 4.952 -0.264 1
1 163 . 3 1 1 A 23 23 ARG CB C 23 32.571 34.722 -2.151 1
1 174 . 3 1 1 A 23 23 ARG C C 23 173.992 175.009 -1.017 1
1 175 . 3 1 1 A 24 24 GLY N N 24 108.837 108.200 0.637 1
1 176 . 3 1 1 A 24 24 GLY H H 24 8.736 8.490 0.246 1
1 177 . 3 1 1 A 24 24 GLY CA C 24 43.943 44.852 -0.909 1
1 178 . 3 1 1 A 24 24 GLY HA2 H 24 3.510 4.468 -0.958 1
1 179 . 3 1 1 A 24 24 GLY HA3 H 24 4.679 4.516 0.163 1
1 180 . 3 1 1 A 24 24 GLY C C 24 171.930 172.231 -0.301 1
1 181 . 3 1 1 A 25 25 GLU N N 25 122.126 120.857 1.269 1
1 182 . 3 1 1 A 25 25 GLU H H 25 9.429 8.608 0.821 1
1 183 . 3 1 1 A 25 25 GLU CA C 25 54.209 54.865 -0.656 1
1 184 . 3 1 1 A 25 25 GLU HA H 25 5.049 5.257 -0.208 1
1 185 . 3 1 1 A 25 25 GLU CB C 25 32.945 33.406 -0.461 1
1 191 . 3 1 1 A 25 25 GLU C C 25 175.853 175.702 0.151 1
1 192 . 3 1 1 A 26 26 ALA N N 26 128.654 127.211 1.443 1
1 193 . 3 1 1 A 26 26 ALA H H 26 8.518 8.515 0.003 1
1 194 . 3 1 1 A 26 26 ALA CA C 26 53.187 53.809 -0.622 1
1 195 . 3 1 1 A 26 26 ALA HA H 26 3.855 4.299 -0.444 1
1 196 . 3 1 1 A 26 26 ALA CB C 26 17.420 18.385 -0.965 1
1 200 . 3 1 1 A 26 26 ALA C C 26 177.837 178.554 -0.717 1
1 201 . 3 1 1 A 27 27 GLY N N 27 108.210 110.705 -2.495 1
1 202 . 3 1 1 A 27 27 GLY H H 27 8.583 8.824 -0.241 1
1 203 . 3 1 1 A 27 27 GLY CA C 27 45.619 45.512 0.107 1
1 204 . 3 1 1 A 27 27 GLY HA2 H 27 3.364 3.859 -0.495 1
1 205 . 3 1 1 A 27 27 GLY HA3 H 27 4.158 3.862 0.296 1
1 206 . 3 1 1 A 27 27 GLY C C 27 173.084 173.621 -0.537 1
1 207 . 3 1 1 A 28 28 VAL N N 28 122.974 121.393 1.581 1
1 208 . 3 1 1 A 28 28 VAL H H 28 7.878 7.481 0.397 1
1 209 . 3 1 1 A 28 28 VAL CA C 28 59.182 58.683 0.499 1
1 210 . 3 1 1 A 28 28 VAL HA H 28 4.510 4.414 0.096 1
1 211 . 3 1 1 A 28 28 VAL CB C 28 34.549 34.614 -0.065 1
1 221 . 3 1 1 A 28 28 VAL C C 28 174.171 174.322 -0.151 1
1 222 . 3 1 1 A 29 29 PRO CA C 29 64.354 62.234 2.120 1
1 223 . 3 1 1 A 29 29 PRO HA H 29 4.064 4.560 -0.496 1
1 224 . 3 1 1 A 29 29 PRO CB C 29 31.464 31.518 -0.054 1
1 233 . 3 1 1 A 29 29 PRO C C 29 174.718 175.778 -1.060 1
1 234 . 3 1 1 A 30 30 ALA N N 30 131.821 126.628 5.193 1
1 235 . 3 1 1 A 30 30 ALA H H 30 8.990 8.181 0.809 1
1 236 . 3 1 1 A 30 30 ALA CA C 30 50.482 50.691 -0.209 1
1 237 . 3 1 1 A 30 30 ALA HA H 30 4.558 4.801 -0.243 1
1 238 . 3 1 1 A 30 30 ALA CB C 30 18.793 20.232 -1.439 1
1 242 . 3 1 1 A 30 30 ALA C C 30 176.319 176.359 -0.040 1
1 243 . 3 1 1 A 31 31 GLU N N 31 119.523 123.253 -3.730 1
1 244 . 3 1 1 A 31 31 GLU H H 31 8.273 9.038 -0.765 1
1 245 . 3 1 1 A 31 31 GLU CA C 31 55.261 54.821 0.440 1
1 246 . 3 1 1 A 31 31 GLU HA H 31 5.290 5.449 -0.159 1
1 247 . 3 1 1 A 31 31 GLU CB C 31 33.484 32.967 0.517 1
1 253 . 3 1 1 A 31 31 GLU C C 31 176.617 175.602 1.015 1
1 254 . 3 1 1 A 32 32 PHE N N 32 115.139 118.782 -3.643 1
1 255 . 3 1 1 A 32 32 PHE H H 32 8.905 8.143 0.762 1
1 256 . 3 1 1 A 32 32 PHE CA C 32 57.490 56.212 1.278 1
1 257 . 3 1 1 A 32 32 PHE HA H 32 5.031 5.233 -0.202 1
1 258 . 3 1 1 A 32 32 PHE CB C 32 39.989 42.019 -2.030 1
1 271 . 3 1 1 A 32 32 PHE C C 32 172.714 172.071 0.643 1
1 272 . 3 1 1 A 33 33 SER CA C 33 57.324 57.494 -0.170 1
1 273 . 3 1 1 A 33 33 SER HA H 33 5.404 4.798 0.606 1
1 274 . 3 1 1 A 33 33 SER CB C 33 66.623 64.315 2.308 1
1 277 . 3 1 1 A 34 34 ILE N N 34 127.688 123.393 4.295 1
1 278 . 3 1 1 A 34 34 ILE H H 34 9.577 8.611 0.966 1
1 279 . 3 1 1 A 34 34 ILE CA C 34 60.614 60.567 0.047 1
1 280 . 3 1 1 A 34 34 ILE HA H 34 4.668 4.595 0.073 1
1 281 . 3 1 1 A 34 34 ILE CB C 34 41.681 39.393 2.288 1
1 294 . 3 1 1 A 35 35 TRP CA C 35 58.440 56.622 1.818 1
1 295 . 3 1 1 A 35 35 TRP HA H 35 5.262 5.061 0.201 1
1 296 . 3 1 1 A 35 35 TRP CB C 35 30.511 30.590 -0.079 1
1 311 . 3 1 1 A 36 36 THR N N 36 114.021 116.262 -2.241 1
1 312 . 3 1 1 A 36 36 THR H H 36 8.680 8.888 -0.208 1
1 313 . 3 1 1 A 36 36 THR CA C 36 61.459 61.555 -0.096 1
1 314 . 3 1 1 A 36 36 THR HA H 36 4.364 4.907 -0.543 1
1 315 . 3 1 1 A 36 36 THR CB C 36 69.197 71.556 -2.359 1
1 321 . 3 1 1 A 37 37 ARG CA C 37 56.501 57.343 -0.842 1
1 322 . 3 1 1 A 37 37 ARG HA H 37 4.207 4.500 -0.293 1
1 323 . 3 1 1 A 37 37 ARG CB C 37 30.884 32.008 -1.124 1
1 332 . 3 1 1 A 37 37 ARG C C 37 173.005 177.967 -4.962 1
1 333 . 3 1 1 A 38 38 GLU H H 38 8.371 8.255 0.116 1
1 334 . 3 1 1 A 38 38 GLU CA C 38 56.895 59.751 -2.856 1
1 335 . 3 1 1 A 38 38 GLU HA H 38 4.270 4.029 0.241 1
1 336 . 3 1 1 A 38 38 GLU CB C 38 30.001 29.573 0.428 1
1 342 . 3 1 1 A 39 39 ALA N N 39 121.133 121.041 0.092 1
1 343 . 3 1 1 A 39 39 ALA H H 39 7.665 7.769 -0.104 1
1 344 . 3 1 1 A 39 39 ALA CA C 39 52.963 54.613 -1.650 1
1 345 . 3 1 1 A 39 39 ALA HA H 39 3.964 4.028 -0.064 1
1 346 . 3 1 1 A 39 39 ALA CB C 39 21.097 19.268 1.829 1
1 350 . 3 1 1 A 39 39 ALA C C 39 177.871 178.322 -0.451 1
1 351 . 3 1 1 A 40 40 GLY N N 40 105.600 103.656 1.944 1
1 352 . 3 1 1 A 40 40 GLY H H 40 7.654 7.694 -0.040 1
1 353 . 3 1 1 A 40 40 GLY CA C 40 44.261 44.613 -0.352 1
1 354 . 3 1 1 A 40 40 GLY HA2 H 40 3.766 4.130 -0.364 1
1 355 . 3 1 1 A 40 40 GLY HA3 H 40 4.196 4.160 0.036 1
1 356 . 3 1 1 A 40 40 GLY C C 40 172.824 173.249 -0.425 1
1 357 . 3 1 1 A 41 41 ALA N N 41 122.720 124.355 -1.635 1
1 358 . 3 1 1 A 41 41 ALA H H 41 8.364 8.316 0.048 1
1 359 . 3 1 1 A 41 41 ALA CA C 41 52.502 52.927 -0.425 1
1 360 . 3 1 1 A 41 41 ALA HA H 41 4.396 4.366 0.030 1
1 361 . 3 1 1 A 41 41 ALA CB C 41 19.295 19.223 0.072 1
1 365 . 3 1 1 A 41 41 ALA C C 41 178.393 177.875 0.518 1
1 366 . 3 1 1 A 42 42 GLY N N 42 109.713 110.403 -0.690 1
1 367 . 3 1 1 A 42 42 GLY H H 42 8.194 8.522 -0.328 1
1 368 . 3 1 1 A 42 42 GLY CA C 42 45.853 44.101 1.752 1
1 369 . 3 1 1 A 42 42 GLY HA2 H 42 3.616 4.050 -0.434 1
1 370 . 3 1 1 A 42 42 GLY HA3 H 42 3.761 4.261 -0.500 1
1 371 . 3 1 1 A 42 42 GLY C C 42 172.178 172.521 -0.343 1
1 372 . 3 1 1 A 43 43 GLY N N 43 105.505 107.016 -1.511 1
1 373 . 3 1 1 A 43 43 GLY H H 43 7.422 8.020 -0.598 1
1 374 . 3 1 1 A 43 43 GLY CA C 43 44.382 44.959 -0.577 1
1 375 . 3 1 1 A 43 43 GLY HA2 H 43 3.420 3.939 -0.519 1
1 376 . 3 1 1 A 43 43 GLY HA3 H 43 4.295 3.974 0.321 1
1 377 . 3 1 1 A 43 43 GLY C C 43 172.885 172.978 -0.093 1
1 378 . 3 1 1 A 44 44 LEU N N 44 125.007 122.035 2.972 1
1 379 . 3 1 1 A 44 44 LEU H H 44 8.525 8.666 -0.141 1
1 380 . 3 1 1 A 44 44 LEU CA C 44 53.589 54.316 -0.727 1
1 381 . 3 1 1 A 44 44 LEU HA H 44 5.357 4.967 0.390 1
1 382 . 3 1 1 A 44 44 LEU CB C 44 45.602 44.825 0.777 1
1 395 . 3 1 1 A 44 44 LEU C C 44 177.034 174.597 2.437 1
1 396 . 3 1 1 A 45 45 SER N N 45 117.626 121.007 -3.381 1
1 397 . 3 1 1 A 45 45 SER H H 45 9.010 8.721 0.289 1
1 398 . 3 1 1 A 45 45 SER CA C 45 57.065 56.821 0.244 1
1 399 . 3 1 1 A 45 45 SER HA H 45 4.660 5.198 -0.538 1
1 400 . 3 1 1 A 45 45 SER CB C 45 65.309 64.848 0.461 1
1 403 . 3 1 1 A 45 45 SER C C 45 172.724 173.756 -1.032 1
1 404 . 3 1 1 A 46 46 ILE N N 46 125.604 125.758 -0.154 1
1 405 . 3 1 1 A 46 46 ILE H H 46 8.584 8.854 -0.270 1
1 406 . 3 1 1 A 46 46 ILE CA C 46 59.369 60.402 -1.033 1
1 407 . 3 1 1 A 46 46 ILE HA H 46 5.182 5.194 -0.012 1
1 408 . 3 1 1 A 46 46 ILE CB C 46 40.879 41.285 -0.406 1
1 421 . 3 1 1 A 46 46 ILE C C 46 174.318 174.381 -0.063 1
1 422 . 3 1 1 A 47 47 ALA N N 47 128.948 129.051 -0.103 1
1 423 . 3 1 1 A 47 47 ALA H H 47 8.762 8.792 -0.030 1
1 424 . 3 1 1 A 47 47 ALA CA C 47 51.123 50.765 0.358 1
1 425 . 3 1 1 A 47 47 ALA HA H 47 4.724 5.129 -0.405 1
1 426 . 3 1 1 A 47 47 ALA CB C 47 22.575 20.914 1.661 1
1 430 . 3 1 1 A 47 47 ALA C C 47 175.131 175.526 -0.395 1
1 431 . 3 1 1 A 48 48 VAL N N 48 121.512 123.743 -2.231 1
1 432 . 3 1 1 A 48 48 VAL H H 48 8.640 8.977 -0.337 1
1 433 . 3 1 1 A 48 48 VAL CA C 48 61.770 62.213 -0.443 1
1 434 . 3 1 1 A 48 48 VAL HA H 48 4.749 4.522 0.227 1
1 435 . 3 1 1 A 48 48 VAL CB C 48 33.642 31.533 2.109 1
1 445 . 3 1 1 A 48 48 VAL C C 48 174.870 175.471 -0.601 1
1 446 . 3 1 1 A 49 49 GLU N N 49 126.757 126.761 -0.004 1
1 447 . 3 1 1 A 49 49 GLU H H 49 8.898 8.787 0.111 1
1 448 . 3 1 1 A 49 49 GLU CA C 49 54.457 54.858 -0.401 1
1 449 . 3 1 1 A 49 49 GLU HA H 49 5.003 5.093 -0.090 1
1 450 . 3 1 1 A 49 49 GLU CB C 49 33.209 32.169 1.040 1
1 456 . 3 1 1 A 49 49 GLU C C 49 175.282 175.970 -0.688 1
1 457 . 3 1 1 A 50 50 GLY N N 50 112.668 111.676 0.992 1
1 458 . 3 1 1 A 50 50 GLY H H 50 8.563 8.496 0.067 1
1 459 . 3 1 1 A 50 50 GLY CA C 50 45.534 44.248 1.286 1
1 460 . 3 1 1 A 50 50 GLY HA2 H 50 3.481 3.208 0.273 1
1 461 . 3 1 1 A 50 50 GLY HA3 H 50 3.836 3.933 -0.097 1
1 462 . 3 1 1 A 50 50 GLY C C 50 171.670 174.121 -2.451 1
1 463 . 3 1 1 A 51 51 PRO CA C 51 64.371 63.941 0.430 1
1 464 . 3 1 1 A 51 51 PRO HA H 51 4.309 4.357 -0.048 1
1 465 . 3 1 1 A 51 51 PRO CB C 51 32.183 31.759 0.424 1
1 474 . 3 1 1 A 51 51 PRO C C 51 175.938 175.673 0.265 1
1 475 . 3 1 1 A 52 52 SER N N 52 109.776 111.921 -2.145 1
1 476 . 3 1 1 A 52 52 SER H H 52 7.281 7.216 0.065 1
1 477 . 3 1 1 A 52 52 SER CA C 52 56.747 56.373 0.374 1
1 478 . 3 1 1 A 52 52 SER HA H 52 4.688 4.680 0.008 1
1 479 . 3 1 1 A 52 52 SER CB C 52 65.901 65.820 0.081 1
1 482 . 3 1 1 A 52 52 SER C C 52 172.748 172.709 0.039 1
1 483 . 3 1 1 A 53 53 LYS N N 53 121.441 124.571 -3.130 1
1 484 . 3 1 1 A 53 53 LYS H H 53 8.607 8.347 0.260 1
1 485 . 3 1 1 A 53 53 LYS CA C 53 56.641 56.845 -0.204 1
1 486 . 3 1 1 A 53 53 LYS HA H 53 4.391 4.375 0.016 1
1 487 . 3 1 1 A 53 53 LYS CB C 53 32.323 33.070 -0.747 1
1 499 . 3 1 1 A 53 53 LYS C C 53 175.721 175.691 0.030 1
1 500 . 3 1 1 A 54 54 ALA N N 54 129.914 128.500 1.414 1
1 501 . 3 1 1 A 54 54 ALA H H 54 8.941 8.829 0.112 1
1 502 . 3 1 1 A 54 54 ALA CA C 54 50.924 50.218 0.706 1
1 503 . 3 1 1 A 54 54 ALA HA H 54 4.962 5.425 -0.463 1
1 504 . 3 1 1 A 54 54 ALA CB C 54 20.004 22.005 -2.001 1
1 508 . 3 1 1 A 54 54 ALA C C 54 176.618 175.476 1.142 1
1 509 . 3 1 1 A 55 55 GLU N N 55 122.179 122.536 -0.357 1
1 510 . 3 1 1 A 55 55 GLU H H 55 8.153 8.685 -0.532 1
1 511 . 3 1 1 A 55 55 GLU CA C 55 55.689 56.384 -0.695 1
1 512 . 3 1 1 A 55 55 GLU HA H 55 4.569 4.737 -0.168 1
1 513 . 3 1 1 A 55 55 GLU CB C 55 31.003 30.855 0.148 1
1 519 . 3 1 1 A 55 55 GLU C C 55 176.867 175.388 1.479 1
1 520 . 3 1 1 A 56 56 ILE N N 56 127.733 126.872 0.861 1
1 521 . 3 1 1 A 56 56 ILE H H 56 8.948 8.824 0.124 1
1 522 . 3 1 1 A 56 56 ILE CA C 56 61.345 60.362 0.983 1
1 523 . 3 1 1 A 56 56 ILE HA H 56 4.744 5.231 -0.487 1
1 524 . 3 1 1 A 56 56 ILE CB C 56 40.978 42.259 -1.281 1
1 537 . 3 1 1 A 56 56 ILE C C 56 175.675 175.005 0.670 1
1 538 . 3 1 1 A 57 57 THR N N 57 124.172 123.916 0.256 1
1 539 . 3 1 1 A 57 57 THR H H 57 9.410 8.703 0.707 1
1 540 . 3 1 1 A 57 57 THR CA C 57 61.999 61.493 0.506 1
1 541 . 3 1 1 A 57 57 THR HA H 57 4.504 5.101 -0.597 1
1 542 . 3 1 1 A 57 57 THR CB C 57 70.660 70.793 -0.133 1
1 548 . 3 1 1 A 57 57 THR C C 57 172.131 172.949 -0.818 1
1 549 . 3 1 1 A 58 58 PHE N N 58 126.429 127.897 -1.468 1
1 550 . 3 1 1 A 58 58 PHE H H 58 8.796 8.967 -0.171 1
1 551 . 3 1 1 A 58 58 PHE CA C 58 56.680 56.343 0.337 1
1 552 . 3 1 1 A 58 58 PHE HA H 58 4.981 5.288 -0.307 1
1 553 . 3 1 1 A 58 58 PHE CB C 58 42.400 42.467 -0.067 1
1 566 . 3 1 1 A 58 58 PHE C C 58 173.719 173.299 0.420 1
1 567 . 3 1 1 A 59 59 ASP N N 59 126.210 126.758 -0.548 1
1 568 . 3 1 1 A 59 59 ASP H H 59 8.707 8.713 -0.006 1
1 569 . 3 1 1 A 59 59 ASP CA C 59 52.784 53.477 -0.693 1
1 570 . 3 1 1 A 59 59 ASP HA H 59 4.677 5.514 -0.837 1
1 571 . 3 1 1 A 59 59 ASP CB C 59 42.738 43.451 -0.713 1
1 574 . 3 1 1 A 59 59 ASP C C 59 173.710 174.292 -0.582 1
1 575 . 3 1 1 A 60 60 ASP N N 60 123.675 125.084 -1.409 1
1 576 . 3 1 1 A 60 60 ASP H H 60 8.490 8.884 -0.394 1
1 577 . 3 1 1 A 60 60 ASP CA C 60 53.871 52.925 0.946 1
1 578 . 3 1 1 A 60 60 ASP HA H 60 4.447 5.371 -0.924 1
1 579 . 3 1 1 A 60 60 ASP CB C 60 41.108 42.878 -1.770 1
1 582 . 3 1 1 A 60 60 ASP C C 60 176.691 176.131 0.560 1
1 583 . 3 1 1 A 61 61 HIS N N 61 124.385 119.902 4.483 1
1 584 . 3 1 1 A 61 61 HIS H H 61 8.122 9.047 -0.925 1
1 585 . 3 1 1 A 61 61 HIS CA C 61 55.608 56.608 -1.000 1
1 586 . 3 1 1 A 61 61 HIS HA H 61 4.769 4.247 0.522 1
1 587 . 3 1 1 A 61 61 HIS CB C 61 28.607 28.731 -0.124 1
1 594 . 3 1 1 A 61 61 HIS C C 61 175.701 175.031 0.670 1
1 595 . 3 1 1 A 62 62 LYS N N 62 115.195 117.598 -2.403 1
1 596 . 3 1 1 A 62 62 LYS H H 62 9.178 8.150 1.028 1
1 597 . 3 1 1 A 62 62 LYS CA C 62 57.585 56.792 0.793 1
1 598 . 3 1 1 A 62 62 LYS HA H 62 4.028 4.238 -0.210 1
1 599 . 3 1 1 A 62 62 LYS CB C 62 29.373 35.067 -5.694 1
1 611 . 3 1 1 A 63 63 ASN N N 63 116.167 113.210 2.957 1
1 612 . 3 1 1 A 63 63 ASN H H 63 7.900 8.386 -0.486 1
1 613 . 3 1 1 A 63 63 ASN CA C 63 52.056 53.235 -1.179 1
1 614 . 3 1 1 A 63 63 ASN HA H 63 4.835 4.879 -0.044 1
1 615 . 3 1 1 A 63 63 ASN CB C 63 38.468 41.010 -2.542 1
1 621 . 3 1 1 A 63 63 ASN C C 63 176.634 175.243 1.391 1
1 622 . 3 1 1 A 64 64 GLY N N 64 108.877 105.771 3.106 1
1 623 . 3 1 1 A 64 64 GLY H H 64 8.718 7.398 1.320 1
1 624 . 3 1 1 A 64 64 GLY CA C 64 45.534 45.775 -0.241 1
1 625 . 3 1 1 A 64 64 GLY HA2 H 64 3.619 4.100 -0.481 1
1 626 . 3 1 1 A 64 64 GLY HA3 H 64 4.247 4.108 0.139 1
1 627 . 3 1 1 A 65 65 SER N N 65 115.229 119.115 -3.886 1
1 628 . 3 1 1 A 65 65 SER H H 65 7.962 8.465 -0.503 1
1 629 . 3 1 1 A 65 65 SER CA C 65 57.108 56.973 0.135 1
1 630 . 3 1 1 A 65 65 SER HA H 65 5.531 4.932 0.599 1
1 631 . 3 1 1 A 65 65 SER CB C 65 67.290 63.722 3.568 1
1 634 . 3 1 1 A 66 66 CYS N N 66 118.007 124.969 -6.962 1
1 635 . 3 1 1 A 66 66 CYS H H 66 8.807 8.985 -0.178 1
1 636 . 3 1 1 A 66 66 CYS CA C 66 56.476 57.825 -1.349 1
1 637 . 3 1 1 A 66 66 CYS HA H 66 4.672 5.233 -0.561 1
1 638 . 3 1 1 A 66 66 CYS CB C 66 31.077 31.040 0.037 1
1 641 . 3 1 1 A 67 67 GLY N N 67 112.448 109.201 3.247 1
1 642 . 3 1 1 A 67 67 GLY H H 67 8.679 8.287 0.392 1
1 643 . 3 1 1 A 67 67 GLY CA C 67 45.004 44.245 0.759 1
1 644 . 3 1 1 A 67 67 GLY HA2 H 67 3.629 3.869 -0.240 1
1 645 . 3 1 1 A 67 67 GLY HA3 H 67 4.645 3.921 0.724 1
1 646 . 3 1 1 A 67 67 GLY C C 67 171.754 172.373 -0.619 1
1 647 . 3 1 1 A 68 68 VAL N N 68 123.840 121.167 2.673 1
1 648 . 3 1 1 A 68 68 VAL H H 68 8.486 8.167 0.319 1
1 649 . 3 1 1 A 68 68 VAL CA C 68 60.143 60.377 -0.234 1
1 650 . 3 1 1 A 68 68 VAL HA H 68 4.579 4.653 -0.074 1
1 651 . 3 1 1 A 68 68 VAL CB C 68 33.946 34.458 -0.512 1
1 661 . 3 1 1 A 68 68 VAL C C 68 174.396 174.576 -0.180 1
1 662 . 3 1 1 A 69 69 SER N N 69 119.414 119.769 -0.355 1
1 663 . 3 1 1 A 69 69 SER H H 69 8.450 8.746 -0.296 1
1 664 . 3 1 1 A 69 69 SER CA C 69 56.169 56.202 -0.033 1
1 665 . 3 1 1 A 69 69 SER HA H 69 5.442 5.381 0.061 1
1 666 . 3 1 1 A 69 69 SER CB C 69 65.640 66.397 -0.757 1
1 669 . 3 1 1 A 69 69 SER C C 69 173.189 173.161 0.028 1
1 670 . 3 1 1 A 70 70 TYR N N 70 119.504 117.586 1.918 1
1 671 . 3 1 1 A 70 70 TYR H H 70 8.771 8.635 0.136 1
1 672 . 3 1 1 A 70 70 TYR CA C 70 54.962 56.235 -1.273 1
1 673 . 3 1 1 A 70 70 TYR HA H 70 5.922 5.764 0.158 1
1 674 . 3 1 1 A 70 70 TYR CB C 70 42.710 41.607 1.103 1
1 685 . 3 1 1 A 70 70 TYR C C 70 173.056 172.799 0.257 1
1 686 . 3 1 1 A 71 71 ILE N N 71 117.727 122.587 -4.860 1
1 687 . 3 1 1 A 71 71 ILE H H 71 8.196 8.814 -0.618 1
1 688 . 3 1 1 A 71 71 ILE CA C 71 60.132 59.681 0.451 1
1 689 . 3 1 1 A 71 71 ILE HA H 71 4.161 4.780 -0.619 1
1 690 . 3 1 1 A 71 71 ILE CB C 71 40.790 41.413 -0.623 1
1 703 . 3 1 1 A 71 71 ILE C C 71 175.114 175.040 0.074 1
1 704 . 3 1 1 A 72 72 ALA N N 72 133.145 128.145 5.000 1
1 705 . 3 1 1 A 72 72 ALA H H 72 9.466 8.436 1.030 1
1 706 . 3 1 1 A 72 72 ALA CA C 72 50.261 50.554 -0.293 1
1 707 . 3 1 1 A 72 72 ALA HA H 72 4.567 4.654 -0.087 1
1 708 . 3 1 1 A 72 72 ALA CB C 72 19.699 19.629 0.070 1
1 712 . 3 1 1 A 72 72 ALA C C 72 177.170 177.782 -0.612 1
1 713 . 3 1 1 A 73 73 GLN N N 73 120.464 124.498 -4.034 1
1 714 . 3 1 1 A 73 73 GLN H H 73 8.649 8.683 -0.034 1
1 715 . 3 1 1 A 73 73 GLN CA C 73 57.614 59.152 -1.538 1
1 716 . 3 1 1 A 73 73 GLN HA H 73 4.083 4.088 -0.005 1
1 717 . 3 1 1 A 73 73 GLN CB C 73 29.667 28.766 0.901 1
1 726 . 3 1 1 A 73 73 GLN C C 73 175.643 176.481 -0.838 1
1 727 . 3 1 1 A 74 74 GLU N N 74 114.557 118.094 -3.537 1
1 728 . 3 1 1 A 74 74 GLU H H 74 7.102 8.212 -1.110 1
1 729 . 3 1 1 A 74 74 GLU CA C 74 52.242 53.008 -0.766 1
1 730 . 3 1 1 A 74 74 GLU HA H 74 4.988 4.809 0.179 1
1 731 . 3 1 1 A 74 74 GLU CB C 74 31.732 30.979 0.753 1
1 737 . 3 1 1 A 74 74 GLU C C 74 174.462 173.929 0.533 1
1 738 . 3 1 1 A 75 75 PRO CA C 75 63.007 63.164 -0.157 1
1 739 . 3 1 1 A 75 75 PRO HA H 75 4.335 4.675 -0.340 1
1 740 . 3 1 1 A 75 75 PRO CB C 75 32.866 32.661 0.205 1
1 749 . 3 1 1 A 75 75 PRO C C 75 174.572 175.886 -1.314 1
1 750 . 3 1 1 A 76 76 GLY N N 76 107.234 107.708 -0.474 1
1 751 . 3 1 1 A 76 76 GLY H H 76 9.012 8.443 0.569 1
1 752 . 3 1 1 A 76 76 GLY CA C 76 44.615 45.400 -0.785 1
1 753 . 3 1 1 A 76 76 GLY HA2 H 76 3.850 4.267 -0.417 1
1 754 . 3 1 1 A 76 76 GLY HA3 H 76 4.201 4.313 -0.112 1
1 755 . 3 1 1 A 76 76 GLY C C 76 171.133 173.015 -1.882 1
1 756 . 3 1 1 A 77 77 ASN N N 77 119.292 117.250 2.042 1
1 757 . 3 1 1 A 77 77 ASN H H 77 8.549 8.661 -0.112 1
1 758 . 3 1 1 A 77 77 ASN CA C 77 52.364 52.055 0.309 1
1 759 . 3 1 1 A 77 77 ASN HA H 77 5.369 5.274 0.095 1
1 760 . 3 1 1 A 77 77 ASN CB C 77 39.176 38.593 0.583 1
1 766 . 3 1 1 A 77 77 ASN C C 77 174.470 173.941 0.529 1
1 767 . 3 1 1 A 78 78 TYR N N 78 123.809 124.772 -0.963 1
1 768 . 3 1 1 A 78 78 TYR H H 78 9.094 9.039 0.055 1
1 769 . 3 1 1 A 78 78 TYR CA C 78 56.818 57.325 -0.507 1
1 770 . 3 1 1 A 78 78 TYR HA H 78 4.859 4.975 -0.116 1
1 771 . 3 1 1 A 78 78 TYR CB C 78 39.860 39.929 -0.069 1
1 782 . 3 1 1 A 78 78 TYR C C 78 174.184 174.900 -0.716 1
1 783 . 3 1 1 A 79 79 GLU N N 79 122.250 125.318 -3.068 1
1 784 . 3 1 1 A 79 79 GLU H H 79 9.259 8.914 0.345 1
1 785 . 3 1 1 A 79 79 GLU CA C 79 54.692 55.483 -0.791 1
1 786 . 3 1 1 A 79 79 GLU HA H 79 5.313 5.016 0.297 1
1 787 . 3 1 1 A 79 79 GLU CB C 79 32.159 30.629 1.530 1
1 793 . 3 1 1 A 79 79 GLU C C 79 176.631 174.896 1.735 1
1 794 . 3 1 1 A 80 80 VAL N N 80 131.418 128.231 3.187 1
1 795 . 3 1 1 A 80 80 VAL H H 80 9.761 8.622 1.139 1
1 796 . 3 1 1 A 80 80 VAL CA C 80 61.522 61.492 0.030 1
1 797 . 3 1 1 A 80 80 VAL HA H 80 4.801 4.362 0.439 1
1 798 . 3 1 1 A 80 80 VAL CB C 80 32.818 32.323 0.495 1
1 808 . 3 1 1 A 80 80 VAL C C 80 175.573 175.258 0.315 1
1 809 . 3 1 1 A 81 81 SER N N 81 123.238 121.546 1.692 1
1 810 . 3 1 1 A 81 81 SER H H 81 9.457 9.244 0.213 1
1 811 . 3 1 1 A 81 81 SER CA C 81 57.589 56.784 0.805 1
1 812 . 3 1 1 A 81 81 SER HA H 81 5.167 5.276 -0.109 1
1 813 . 3 1 1 A 81 81 SER CB C 81 64.882 64.521 0.361 1
1 816 . 3 1 1 A 81 81 SER C C 81 173.514 173.541 -0.027 1
1 817 . 3 1 1 A 82 82 ILE N N 82 126.261 126.896 -0.635 1
1 818 . 3 1 1 A 82 82 ILE H H 82 9.642 9.475 0.167 1
1 819 . 3 1 1 A 82 82 ILE CA C 82 60.992 59.932 1.060 1
1 820 . 3 1 1 A 82 82 ILE HA H 82 4.667 5.179 -0.512 1
1 821 . 3 1 1 A 82 82 ILE CB C 82 40.692 40.308 0.384 1
1 834 . 3 1 1 A 82 82 ILE C C 82 173.498 175.237 -1.739 1
1 835 . 3 1 1 A 83 83 LYS N N 83 123.477 126.756 -3.279 1
1 836 . 3 1 1 A 83 83 LYS H H 83 8.720 8.705 0.015 1
1 837 . 3 1 1 A 83 83 LYS CA C 83 53.730 54.950 -1.220 1
1 838 . 3 1 1 A 83 83 LYS HA H 83 5.139 5.343 -0.204 1
1 839 . 3 1 1 A 83 83 LYS CB C 83 36.351 34.974 1.377 1
1 851 . 3 1 1 A 83 83 LYS C C 83 174.914 174.472 0.442 1
1 852 . 3 1 1 A 84 84 PHE N N 84 122.298 126.280 -3.982 1
1 853 . 3 1 1 A 84 84 PHE H H 84 9.154 9.005 0.149 1
1 854 . 3 1 1 A 84 84 PHE CA C 84 56.057 57.574 -1.517 1
1 855 . 3 1 1 A 84 84 PHE HA H 84 5.238 4.768 0.470 1
1 856 . 3 1 1 A 84 84 PHE CB C 84 43.136 40.884 2.252 1
1 867 . 3 1 1 A 84 84 PHE C C 84 175.864 175.075 0.789 1
1 868 . 3 1 1 A 85 85 ASN N N 85 127.936 124.924 3.012 1
1 869 . 3 1 1 A 85 85 ASN H H 85 9.040 8.742 0.298 1
1 870 . 3 1 1 A 85 85 ASN CA C 85 54.448 54.436 0.012 1
1 871 . 3 1 1 A 85 85 ASN HA H 85 4.206 4.172 0.034 1
1 872 . 3 1 1 A 85 85 ASN CB C 85 36.554 36.657 -0.103 1
1 878 . 3 1 1 A 85 85 ASN C C 85 174.620 174.155 0.465 1
1 879 . 3 1 1 A 86 86 ASP N N 86 108.763 109.972 -1.209 1
1 880 . 3 1 1 A 86 86 ASP H H 86 8.828 8.462 0.366 1
1 881 . 3 1 1 A 86 86 ASP CA C 86 56.405 55.556 0.849 1
1 882 . 3 1 1 A 86 86 ASP HA H 86 3.946 4.195 -0.249 1
1 883 . 3 1 1 A 86 86 ASP CB C 86 40.367 39.024 1.343 1
1 886 . 3 1 1 A 86 86 ASP C C 86 174.169 174.583 -0.414 1
1 887 . 3 1 1 A 87 87 GLU N N 87 119.289 117.166 2.123 1
1 888 . 3 1 1 A 87 87 GLU H H 87 7.510 7.602 -0.092 1
1 889 . 3 1 1 A 87 87 GLU CA C 87 54.483 54.814 -0.331 1
1 890 . 3 1 1 A 87 87 GLU HA H 87 4.743 4.894 -0.151 1
1 891 . 3 1 1 A 87 87 GLU CB C 87 32.763 33.787 -1.024 1
1 897 . 3 1 1 A 87 87 GLU C C 87 175.825 175.363 0.462 1
1 898 . 3 1 1 A 88 88 HIS N N 88 123.465 120.554 2.911 1
1 899 . 3 1 1 A 88 88 HIS H H 88 8.822 9.176 -0.354 1
1 900 . 3 1 1 A 88 88 HIS CA C 88 59.117 55.309 3.808 1
1 901 . 3 1 1 A 88 88 HIS HA H 88 4.511 4.967 -0.456 1
1 902 . 3 1 1 A 88 88 HIS CB C 88 32.254 29.268 2.986 1
1 909 . 3 1 1 A 88 88 HIS C C 88 177.352 175.542 1.810 1
1 910 . 3 1 1 A 89 89 ILE N N 89 117.945 123.023 -5.078 1
1 911 . 3 1 1 A 89 89 ILE H H 89 8.131 8.484 -0.353 1
1 912 . 3 1 1 A 89 89 ILE CA C 89 61.121 60.216 0.905 1
1 913 . 3 1 1 A 89 89 ILE HA H 89 4.519 4.368 0.151 1
1 914 . 3 1 1 A 89 89 ILE CB C 89 35.538 37.730 -2.192 1
1 927 . 3 1 1 A 89 89 ILE C C 89 173.831 176.789 -2.958 1
1 928 . 3 1 1 A 90 90 PRO CA C 90 66.545 64.351 2.194 1
1 929 . 3 1 1 A 90 90 PRO HA H 90 4.223 4.553 -0.330 1
1 930 . 3 1 1 A 90 90 PRO CB C 90 31.693 31.548 0.145 1
1 939 . 3 1 1 A 90 90 PRO C C 90 177.046 176.132 0.914 1
1 940 . 3 1 1 A 91 91 GLU N N 91 113.835 117.191 -3.356 1
1 941 . 3 1 1 A 91 91 GLU H H 91 8.223 8.246 -0.023 1
1 942 . 3 1 1 A 91 91 GLU CA C 91 57.913 56.128 1.785 1
1 943 . 3 1 1 A 91 91 GLU HA H 91 3.733 4.353 -0.620 1
1 944 . 3 1 1 A 91 91 GLU CB C 91 27.681 31.421 -3.740 1
1 950 . 3 1 1 A 91 91 GLU C C 91 173.469 175.295 -1.826 1
1 951 . 3 1 1 A 92 92 SER N N 92 111.462 113.385 -1.923 1
1 952 . 3 1 1 A 92 92 SER H H 92 7.489 7.485 0.004 1
1 953 . 3 1 1 A 92 92 SER CA C 92 54.873 55.605 -0.732 1
1 954 . 3 1 1 A 92 92 SER HA H 92 4.427 4.818 -0.391 1
1 955 . 3 1 1 A 92 92 SER CB C 92 63.317 64.920 -1.603 1
1 958 . 3 1 1 A 92 92 SER C C 92 174.195 171.975 2.220 1
1 959 . 3 1 1 A 93 93 PRO CA C 93 62.333 62.538 -0.205 1
1 960 . 3 1 1 A 93 93 PRO HA H 93 5.483 4.792 0.691 1
1 961 . 3 1 1 A 93 93 PRO CB C 93 34.386 32.327 2.059 1
1 970 . 3 1 1 A 93 93 PRO C C 93 176.059 175.462 0.597 1
1 971 . 3 1 1 A 94 94 TYR N N 94 122.179 119.925 2.254 1
1 972 . 3 1 1 A 94 94 TYR H H 94 9.372 9.027 0.345 1
1 973 . 3 1 1 A 94 94 TYR CA C 94 57.101 57.497 -0.396 1
1 974 . 3 1 1 A 94 94 TYR HA H 94 4.531 4.951 -0.420 1
1 975 . 3 1 1 A 94 94 TYR CB C 94 40.027 40.695 -0.668 1
1 986 . 3 1 1 A 94 94 TYR C C 94 175.281 174.702 0.579 1
1 987 . 3 1 1 A 95 95 LEU N N 95 126.428 124.362 2.066 1
1 988 . 3 1 1 A 95 95 LEU H H 95 8.807 8.740 0.067 1
1 989 . 3 1 1 A 95 95 LEU CA C 95 54.200 53.673 0.527 1
1 990 . 3 1 1 A 95 95 LEU HA H 95 4.981 5.114 -0.133 1
1 991 . 3 1 1 A 95 95 LEU CB C 95 41.894 44.068 -2.174 1
1 1004 . 3 1 1 A 95 95 LEU C C 95 176.295 174.687 1.608 1
1 1005 . 3 1 1 A 96 96 VAL N N 96 130.944 127.342 3.602 1
1 1006 . 3 1 1 A 96 96 VAL H H 96 9.629 8.820 0.809 1
1 1007 . 3 1 1 A 96 96 VAL CA C 96 59.813 59.349 0.464 1
1 1008 . 3 1 1 A 96 96 VAL HA H 96 4.469 4.609 -0.140 1
1 1009 . 3 1 1 A 96 96 VAL CB C 96 35.052 32.481 2.571 1
1 1019 . 3 1 1 A 96 96 VAL C C 96 173.734 175.105 -1.371 1
1 1020 . 3 1 1 A 97 97 PRO CA C 97 62.379 62.362 0.017 1
1 1021 . 3 1 1 A 97 97 PRO HA H 97 5.016 4.771 0.245 1
1 1022 . 3 1 1 A 97 97 PRO CB C 97 32.163 29.752 2.411 1
1 1031 . 3 1 1 A 97 97 PRO C C 97 175.950 176.439 -0.489 1
1 1032 . 3 1 1 A 98 98 VAL N N 98 125.524 123.568 1.956 1
1 1033 . 3 1 1 A 98 98 VAL H H 98 9.196 8.562 0.634 1
1 1034 . 3 1 1 A 98 98 VAL CA C 98 61.345 62.463 -1.118 1
1 1035 . 3 1 1 A 98 98 VAL HA H 98 4.411 4.195 0.216 1
1 1036 . 3 1 1 A 98 98 VAL CB C 98 32.037 31.270 0.767 1
1 1046 . 3 1 1 A 98 98 VAL C C 98 176.996 175.910 1.086 1
1 1047 . 3 1 1 A 99 99 ILE N N 99 124.035 123.157 0.878 1
1 1048 . 3 1 1 A 99 99 ILE H H 99 8.392 9.284 -0.892 1
1 1049 . 3 1 1 A 99 99 ILE CA C 99 59.802 58.390 1.412 1
1 1050 . 3 1 1 A 99 99 ILE HA H 99 4.651 4.943 -0.292 1
1 1051 . 3 1 1 A 99 99 ILE CB C 99 40.609 41.145 -0.536 1
1 1064 . 3 1 1 A 99 99 ILE C C 99 175.482 174.565 0.917 1
1 1065 . 3 1 1 A 100 100 ALA N N 100 125.837 124.964 0.873 1
1 1066 . 3 1 1 A 100 100 ALA H H 100 8.714 8.485 0.229 1
1 1067 . 3 1 1 A 100 100 ALA CA C 100 50.416 49.975 0.441 1
1 1068 . 3 1 1 A 100 100 ALA HA H 100 4.603 4.510 0.093 1
1 1069 . 3 1 1 A 100 100 ALA CB C 100 18.088 19.658 -1.570 1
1 1073 . 3 1 1 A 100 100 ALA C C 100 175.264 176.360 -1.096 1
1 1074 . 3 1 1 A 101 101 PRO CA C 101 63.104 62.890 0.214 1
1 1075 . 3 1 1 A 101 101 PRO HA H 101 4.483 4.516 -0.033 1
1 1076 . 3 1 1 A 101 101 PRO CB C 101 32.222 31.975 0.247 1
1 1085 . 3 1 1 A 101 101 PRO C C 101 176.976 176.109 0.867 1
1 1086 . 3 1 1 A 102 102 SER N N 102 116.530 115.427 1.103 1
1 1087 . 3 1 1 A 102 102 SER H H 102 8.527 8.394 0.133 1
1 1088 . 3 1 1 A 102 102 SER CA C 102 58.283 56.968 1.315 1
1 1089 . 3 1 1 A 102 102 SER HA H 102 4.433 5.112 -0.679 1
1 1090 . 3 1 1 A 102 102 SER CB C 102 64.078 64.179 -0.101 1
1 1093 . 3 1 1 A 102 102 SER C C 102 174.510 173.049 1.461 1
1 1094 . 3 1 1 A 103 103 ASP N N 103 123.018 125.440 -2.422 1
1 1095 . 3 1 1 A 103 103 ASP H H 103 8.450 8.197 0.253 1
1 1096 . 3 1 1 A 103 103 ASP CA C 103 54.431 53.221 1.210 1
1 1097 . 3 1 1 A 103 103 ASP HA H 103 4.654 5.098 -0.444 1
1 1098 . 3 1 1 A 103 103 ASP CB C 103 41.226 44.966 -3.740 1
1 1101 . 3 1 1 A 103 103 ASP C C 103 175.889 173.733 2.156 1
1 1102 . 3 1 1 A 104 104 ASP N N 104 120.896 123.898 -3.002 1
1 1103 . 3 1 1 A 104 104 ASP H H 104 8.264 8.872 -0.608 1
1 1104 . 3 1 1 A 104 104 ASP CA C 104 54.283 53.506 0.777 1
1 1105 . 3 1 1 A 104 104 ASP HA H 104 4.601 5.069 -0.468 1
1 1106 . 3 1 1 A 104 104 ASP CB C 104 41.183 42.210 -1.027 1
1 1109 . 3 1 1 A 104 104 ASP C C 104 175.065 175.607 -0.542 1
1 1 . 4 1 1 A 7 7 GLY N N 7 110.767 106.516 4.251 1
1 2 . 4 1 1 A 7 7 GLY H H 7 8.421 8.200 0.221 1
1 3 . 4 1 1 A 7 7 GLY CA C 7 45.393 45.878 -0.485 1
1 4 . 4 1 1 A 7 7 GLY HA2 H 7 4.003 4.243 -0.240 1
1 5 . 4 1 1 A 7 7 GLY HA3 H 7 4.003 4.250 -0.247 1
1 6 . 4 1 1 A 7 7 GLY C C 7 174.160 175.284 -1.124 1
1 7 . 4 1 1 A 8 8 GLU N N 8 120.419 120.983 -0.564 1
1 8 . 4 1 1 A 8 8 GLU H H 8 8.320 8.474 -0.154 1
1 9 . 4 1 1 A 8 8 GLU CA C 8 56.499 59.028 -2.529 1
1 10 . 4 1 1 A 8 8 GLU HA H 8 4.390 4.093 0.297 1
1 11 . 4 1 1 A 8 8 GLU CB C 8 30.615 29.913 0.702 1
1 17 . 4 1 1 A 8 8 GLU C C 8 176.858 177.115 -0.257 1
1 18 . 4 1 1 A 9 9 GLY N N 9 109.731 104.409 5.322 1
1 19 . 4 1 1 A 9 9 GLY H H 9 8.522 7.717 0.805 1
1 20 . 4 1 1 A 9 9 GLY CA C 9 45.110 45.391 -0.281 1
1 21 . 4 1 1 A 9 9 GLY HA2 H 9 4.090 4.079 0.011 1
1 22 . 4 1 1 A 9 9 GLY HA3 H 9 3.931 4.130 -0.199 1
1 23 . 4 1 1 A 9 9 GLY C C 9 173.933 172.400 1.533 1
1 24 . 4 1 1 A 10 10 GLY N N 10 107.139 108.204 -1.065 1
1 25 . 4 1 1 A 10 10 GLY H H 10 8.393 8.453 -0.060 1
1 26 . 4 1 1 A 10 10 GLY CA C 10 45.039 44.750 0.289 1
1 27 . 4 1 1 A 10 10 GLY HA2 H 10 3.868 4.246 -0.378 1
1 28 . 4 1 1 A 10 10 GLY HA3 H 10 4.528 4.351 0.177 1
1 29 . 4 1 1 A 10 10 GLY C C 10 174.561 174.785 -0.224 1
1 30 . 4 1 1 A 11 11 ALA N N 11 122.466 124.934 -2.468 1
1 31 . 4 1 1 A 11 11 ALA H H 11 8.875 9.057 -0.182 1
1 32 . 4 1 1 A 11 11 ALA CA C 11 55.391 55.173 0.218 1
1 33 . 4 1 1 A 11 11 ALA HA H 11 3.803 3.939 -0.136 1
1 34 . 4 1 1 A 11 11 ALA CB C 11 19.583 18.527 1.056 1
1 38 . 4 1 1 A 11 11 ALA C C 11 178.242 179.786 -1.544 1
1 39 . 4 1 1 A 12 12 HIS N N 12 111.513 115.767 -4.254 1
1 40 . 4 1 1 A 12 12 HIS H H 12 8.290 8.370 -0.080 1
1 41 . 4 1 1 A 12 12 HIS CA C 12 57.847 59.092 -1.245 1
1 42 . 4 1 1 A 12 12 HIS HA H 12 4.443 4.314 0.129 1
1 43 . 4 1 1 A 12 12 HIS CB C 12 29.321 28.528 0.793 1
1 50 . 4 1 1 A 12 12 HIS C C 12 176.189 177.804 -1.615 1
1 51 . 4 1 1 A 13 13 LYS N N 13 118.111 118.942 -0.831 1
1 52 . 4 1 1 A 13 13 LYS H H 13 7.558 7.200 0.358 1
1 53 . 4 1 1 A 13 13 LYS CA C 13 54.660 58.677 -4.017 1
1 54 . 4 1 1 A 13 13 LYS HA H 13 4.202 3.981 0.221 1
1 55 . 4 1 1 A 13 13 LYS CB C 13 32.655 32.224 0.431 1
1 67 . 4 1 1 A 13 13 LYS C C 13 176.721 177.586 -0.865 1
1 68 . 4 1 1 A 14 14 VAL N N 14 123.625 120.116 3.509 1
1 69 . 4 1 1 A 14 14 VAL H H 14 7.499 7.021 0.478 1
1 70 . 4 1 1 A 14 14 VAL CA C 14 63.247 63.111 0.136 1
1 71 . 4 1 1 A 14 14 VAL HA H 14 3.907 3.816 0.091 1
1 72 . 4 1 1 A 14 14 VAL CB C 14 31.649 31.849 -0.200 1
1 82 . 4 1 1 A 15 15 ARG H H 15 8.106 8.616 -0.510 1
1 83 . 4 1 1 A 15 15 ARG CA C 15 53.791 54.851 -1.060 1
1 84 . 4 1 1 A 15 15 ARG HA H 15 5.021 4.991 0.030 1
1 85 . 4 1 1 A 15 15 ARG CB C 15 34.207 34.273 -0.066 1
1 94 . 4 1 1 A 16 16 ALA N N 16 123.795 125.790 -1.995 1
1 95 . 4 1 1 A 16 16 ALA H H 16 8.875 8.979 -0.104 1
1 96 . 4 1 1 A 16 16 ALA CA C 16 51.092 51.105 -0.013 1
1 97 . 4 1 1 A 16 16 ALA HA H 16 5.569 5.235 0.334 1
1 98 . 4 1 1 A 16 16 ALA CB C 16 23.845 23.749 0.096 1
1 102 . 4 1 1 A 17 17 GLY N N 17 106.516 105.022 1.494 1
1 103 . 4 1 1 A 17 17 GLY H H 17 8.616 8.314 0.302 1
1 104 . 4 1 1 A 17 17 GLY CA C 17 46.205 45.687 0.518 1
1 105 . 4 1 1 A 17 17 GLY HA2 H 17 4.289 4.228 0.061 1
1 106 . 4 1 1 A 17 17 GLY HA3 H 17 4.226 4.249 -0.023 1
1 107 . 4 1 1 A 18 18 GLY N N 18 111.804 110.160 1.644 1
1 108 . 4 1 1 A 18 18 GLY H H 18 8.816 8.404 0.412 1
1 109 . 4 1 1 A 18 18 GLY CA C 18 44.595 45.515 -0.920 1
1 110 . 4 1 1 A 18 18 GLY HA2 H 18 4.105 4.272 -0.167 1
1 111 . 4 1 1 A 18 18 GLY HA3 H 18 4.105 4.287 -0.182 1
1 112 . 4 1 1 A 19 19 PRO CA C 19 65.526 63.931 1.595 1
1 113 . 4 1 1 A 19 19 PRO HA H 19 4.335 4.459 -0.124 1
1 114 . 4 1 1 A 19 19 PRO CB C 19 31.790 31.685 0.105 1
1 123 . 4 1 1 A 19 19 PRO C C 19 179.208 177.332 1.876 1
1 124 . 4 1 1 A 20 20 GLY N N 20 103.234 106.562 -3.328 1
1 125 . 4 1 1 A 20 20 GLY H H 20 9.282 8.391 0.891 1
1 126 . 4 1 1 A 20 20 GLY CA C 20 46.361 46.187 0.174 1
1 127 . 4 1 1 A 20 20 GLY HA2 H 20 3.214 3.946 -0.732 1
1 128 . 4 1 1 A 20 20 GLY HA3 H 20 4.184 4.023 0.161 1
1 129 . 4 1 1 A 20 20 GLY C C 20 172.711 175.677 -2.966 1
1 130 . 4 1 1 A 21 21 LEU N N 21 116.307 122.855 -6.548 1
1 131 . 4 1 1 A 21 21 LEU H H 21 7.559 7.840 -0.281 1
1 132 . 4 1 1 A 21 21 LEU CA C 21 53.980 57.454 -3.474 1
1 133 . 4 1 1 A 21 21 LEU HA H 21 4.166 4.119 0.047 1
1 134 . 4 1 1 A 21 21 LEU CB C 21 40.135 41.664 -1.529 1
1 147 . 4 1 1 A 21 21 LEU C C 21 175.859 178.865 -3.006 1
1 148 . 4 1 1 A 22 22 GLU N N 22 119.926 118.490 1.436 1
1 149 . 4 1 1 A 22 22 GLU H H 22 7.927 7.626 0.301 1
1 150 . 4 1 1 A 22 22 GLU CA C 22 57.490 59.481 -1.991 1
1 151 . 4 1 1 A 22 22 GLU HA H 22 4.511 4.184 0.327 1
1 152 . 4 1 1 A 22 22 GLU CB C 22 32.057 29.969 2.088 1
1 158 . 4 1 1 A 22 22 GLU C C 22 175.521 176.973 -1.452 1
1 159 . 4 1 1 A 23 23 ARG N N 23 116.789 117.571 -0.782 1
1 160 . 4 1 1 A 23 23 ARG H H 23 8.340 7.661 0.679 1
1 161 . 4 1 1 A 23 23 ARG CA C 23 56.464 55.665 0.799 1
1 162 . 4 1 1 A 23 23 ARG HA H 23 4.688 4.777 -0.089 1
1 163 . 4 1 1 A 23 23 ARG CB C 23 32.571 33.818 -1.247 1
1 174 . 4 1 1 A 23 23 ARG C C 23 173.992 174.342 -0.350 1
1 175 . 4 1 1 A 24 24 GLY N N 24 108.837 112.544 -3.707 1
1 176 . 4 1 1 A 24 24 GLY H H 24 8.736 9.047 -0.311 1
1 177 . 4 1 1 A 24 24 GLY CA C 24 43.943 44.233 -0.290 1
1 178 . 4 1 1 A 24 24 GLY HA2 H 24 3.510 4.292 -0.782 1
1 179 . 4 1 1 A 24 24 GLY HA3 H 24 4.679 4.349 0.330 1
1 180 . 4 1 1 A 24 24 GLY C C 24 171.930 172.249 -0.319 1
1 181 . 4 1 1 A 25 25 GLU N N 25 122.126 120.996 1.130 1
1 182 . 4 1 1 A 25 25 GLU H H 25 9.429 8.499 0.930 1
1 183 . 4 1 1 A 25 25 GLU CA C 25 54.209 54.889 -0.680 1
1 184 . 4 1 1 A 25 25 GLU HA H 25 5.049 5.180 -0.131 1
1 185 . 4 1 1 A 25 25 GLU CB C 25 32.945 33.317 -0.372 1
1 191 . 4 1 1 A 25 25 GLU C C 25 175.853 175.798 0.055 1
1 192 . 4 1 1 A 26 26 ALA N N 26 128.654 127.226 1.428 1
1 193 . 4 1 1 A 26 26 ALA H H 26 8.518 8.991 -0.473 1
1 194 . 4 1 1 A 26 26 ALA CA C 26 53.187 53.875 -0.688 1
1 195 . 4 1 1 A 26 26 ALA HA H 26 3.855 4.252 -0.397 1
1 196 . 4 1 1 A 26 26 ALA CB C 26 17.420 18.396 -0.976 1
1 200 . 4 1 1 A 26 26 ALA C C 26 177.837 178.034 -0.197 1
1 201 . 4 1 1 A 27 27 GLY N N 27 108.210 110.845 -2.635 1
1 202 . 4 1 1 A 27 27 GLY H H 27 8.583 8.722 -0.139 1
1 203 . 4 1 1 A 27 27 GLY CA C 27 45.619 45.010 0.609 1
1 204 . 4 1 1 A 27 27 GLY HA2 H 27 3.364 3.984 -0.620 1
1 205 . 4 1 1 A 27 27 GLY HA3 H 27 4.158 3.988 0.170 1
1 206 . 4 1 1 A 27 27 GLY C C 27 173.084 173.871 -0.787 1
1 207 . 4 1 1 A 28 28 VAL N N 28 122.974 122.216 0.758 1
1 208 . 4 1 1 A 28 28 VAL H H 28 7.878 7.650 0.228 1
1 209 . 4 1 1 A 28 28 VAL CA C 28 59.182 59.135 0.047 1
1 210 . 4 1 1 A 28 28 VAL HA H 28 4.510 4.301 0.209 1
1 211 . 4 1 1 A 28 28 VAL CB C 28 34.549 32.726 1.823 1
1 221 . 4 1 1 A 28 28 VAL C C 28 174.171 175.214 -1.043 1
1 222 . 4 1 1 A 29 29 PRO CA C 29 64.354 62.363 1.991 1
1 223 . 4 1 1 A 29 29 PRO HA H 29 4.064 4.507 -0.443 1
1 224 . 4 1 1 A 29 29 PRO CB C 29 31.464 31.860 -0.396 1
1 233 . 4 1 1 A 29 29 PRO C C 29 174.718 175.658 -0.940 1
1 234 . 4 1 1 A 30 30 ALA N N 30 131.821 125.973 5.848 1
1 235 . 4 1 1 A 30 30 ALA H H 30 8.990 8.108 0.882 1
1 236 . 4 1 1 A 30 30 ALA CA C 30 50.482 50.416 0.066 1
1 237 . 4 1 1 A 30 30 ALA HA H 30 4.558 4.630 -0.072 1
1 238 . 4 1 1 A 30 30 ALA CB C 30 18.793 19.867 -1.074 1
1 242 . 4 1 1 A 30 30 ALA C C 30 176.319 176.107 0.212 1
1 243 . 4 1 1 A 31 31 GLU N N 31 119.523 122.450 -2.927 1
1 244 . 4 1 1 A 31 31 GLU H H 31 8.273 8.732 -0.459 1
1 245 . 4 1 1 A 31 31 GLU CA C 31 55.261 55.147 0.114 1
1 246 . 4 1 1 A 31 31 GLU HA H 31 5.290 5.444 -0.154 1
1 247 . 4 1 1 A 31 31 GLU CB C 31 33.484 32.207 1.277 1
1 253 . 4 1 1 A 31 31 GLU C C 31 176.617 175.694 0.923 1
1 254 . 4 1 1 A 32 32 PHE N N 32 115.139 118.160 -3.021 1
1 255 . 4 1 1 A 32 32 PHE H H 32 8.905 7.998 0.907 1
1 256 . 4 1 1 A 32 32 PHE CA C 32 57.490 54.955 2.535 1
1 257 . 4 1 1 A 32 32 PHE HA H 32 5.031 5.632 -0.601 1
1 258 . 4 1 1 A 32 32 PHE CB C 32 39.989 42.367 -2.378 1
1 271 . 4 1 1 A 32 32 PHE C C 32 172.714 173.171 -0.457 1
1 272 . 4 1 1 A 33 33 SER CA C 33 57.324 56.020 1.304 1
1 273 . 4 1 1 A 33 33 SER HA H 33 5.404 5.011 0.393 1
1 274 . 4 1 1 A 33 33 SER CB C 33 66.623 64.340 2.283 1
1 277 . 4 1 1 A 34 34 ILE N N 34 127.688 125.622 2.066 1
1 278 . 4 1 1 A 34 34 ILE H H 34 9.577 8.895 0.682 1
1 279 . 4 1 1 A 34 34 ILE CA C 34 60.614 60.256 0.358 1
1 280 . 4 1 1 A 34 34 ILE HA H 34 4.668 4.579 0.089 1
1 281 . 4 1 1 A 34 34 ILE CB C 34 41.681 38.553 3.128 1
1 294 . 4 1 1 A 35 35 TRP CA C 35 58.440 54.961 3.479 1
1 295 . 4 1 1 A 35 35 TRP HA H 35 5.262 5.366 -0.104 1
1 296 . 4 1 1 A 35 35 TRP CB C 35 30.511 31.411 -0.900 1
1 311 . 4 1 1 A 36 36 THR N N 36 114.021 114.325 -0.304 1
1 312 . 4 1 1 A 36 36 THR H H 36 8.680 8.971 -0.291 1
1 313 . 4 1 1 A 36 36 THR CA C 36 61.459 60.479 0.980 1
1 314 . 4 1 1 A 36 36 THR HA H 36 4.364 5.081 -0.717 1
1 315 . 4 1 1 A 36 36 THR CB C 36 69.197 70.190 -0.993 1
1 321 . 4 1 1 A 37 37 ARG CA C 37 56.501 57.507 -1.006 1
1 322 . 4 1 1 A 37 37 ARG HA H 37 4.207 4.507 -0.300 1
1 323 . 4 1 1 A 37 37 ARG CB C 37 30.884 31.473 -0.589 1
1 332 . 4 1 1 A 37 37 ARG C C 37 173.005 177.248 -4.243 1
1 333 . 4 1 1 A 38 38 GLU H H 38 8.371 8.088 0.283 1
1 334 . 4 1 1 A 38 38 GLU CA C 38 56.895 56.133 0.762 1
1 335 . 4 1 1 A 38 38 GLU HA H 38 4.270 4.502 -0.232 1
1 336 . 4 1 1 A 38 38 GLU CB C 38 30.001 28.608 1.393 1
1 342 . 4 1 1 A 39 39 ALA N N 39 121.133 121.403 -0.270 1
1 343 . 4 1 1 A 39 39 ALA H H 39 7.665 7.941 -0.276 1
1 344 . 4 1 1 A 39 39 ALA CA C 39 52.963 52.857 0.106 1
1 345 . 4 1 1 A 39 39 ALA HA H 39 3.964 4.453 -0.489 1
1 346 . 4 1 1 A 39 39 ALA CB C 39 21.097 21.236 -0.139 1
1 350 . 4 1 1 A 39 39 ALA C C 39 177.871 177.900 -0.029 1
1 351 . 4 1 1 A 40 40 GLY N N 40 105.600 105.527 0.073 1
1 352 . 4 1 1 A 40 40 GLY H H 40 7.654 8.073 -0.419 1
1 353 . 4 1 1 A 40 40 GLY CA C 40 44.261 46.026 -1.765 1
1 354 . 4 1 1 A 40 40 GLY HA2 H 40 3.766 4.081 -0.315 1
1 355 . 4 1 1 A 40 40 GLY HA3 H 40 4.196 4.099 0.097 1
1 356 . 4 1 1 A 40 40 GLY C C 40 172.824 173.167 -0.343 1
1 357 . 4 1 1 A 41 41 ALA N N 41 122.720 125.483 -2.763 1
1 358 . 4 1 1 A 41 41 ALA H H 41 8.364 8.285 0.079 1
1 359 . 4 1 1 A 41 41 ALA CA C 41 52.502 51.480 1.022 1
1 360 . 4 1 1 A 41 41 ALA HA H 41 4.396 5.133 -0.737 1
1 361 . 4 1 1 A 41 41 ALA CB C 41 19.295 22.972 -3.677 1
1 365 . 4 1 1 A 41 41 ALA C C 41 178.393 175.892 2.501 1
1 366 . 4 1 1 A 42 42 GLY N N 42 109.713 107.183 2.530 1
1 367 . 4 1 1 A 42 42 GLY H H 42 8.194 8.444 -0.250 1
1 368 . 4 1 1 A 42 42 GLY CA C 42 45.853 45.982 -0.129 1
1 369 . 4 1 1 A 42 42 GLY HA2 H 42 3.616 3.970 -0.354 1
1 370 . 4 1 1 A 42 42 GLY HA3 H 42 3.761 4.088 -0.327 1
1 371 . 4 1 1 A 42 42 GLY C C 42 172.178 171.873 0.305 1
1 372 . 4 1 1 A 43 43 GLY N N 43 105.505 108.082 -2.577 1
1 373 . 4 1 1 A 43 43 GLY H H 43 7.422 8.089 -0.667 1
1 374 . 4 1 1 A 43 43 GLY CA C 43 44.382 44.200 0.182 1
1 375 . 4 1 1 A 43 43 GLY HA2 H 43 3.420 4.190 -0.770 1
1 376 . 4 1 1 A 43 43 GLY HA3 H 43 4.295 4.238 0.057 1
1 377 . 4 1 1 A 43 43 GLY C C 43 172.885 171.560 1.325 1
1 378 . 4 1 1 A 44 44 LEU N N 44 125.007 124.012 0.995 1
1 379 . 4 1 1 A 44 44 LEU H H 44 8.525 8.685 -0.160 1
1 380 . 4 1 1 A 44 44 LEU CA C 44 53.589 53.242 0.347 1
1 381 . 4 1 1 A 44 44 LEU HA H 44 5.357 5.200 0.157 1
1 382 . 4 1 1 A 44 44 LEU CB C 44 45.602 45.102 0.500 1
1 395 . 4 1 1 A 44 44 LEU C C 44 177.034 175.666 1.368 1
1 396 . 4 1 1 A 45 45 SER N N 45 117.626 118.953 -1.327 1
1 397 . 4 1 1 A 45 45 SER H H 45 9.010 8.611 0.399 1
1 398 . 4 1 1 A 45 45 SER CA C 45 57.065 56.841 0.224 1
1 399 . 4 1 1 A 45 45 SER HA H 45 4.660 5.190 -0.530 1
1 400 . 4 1 1 A 45 45 SER CB C 45 65.309 65.086 0.223 1
1 403 . 4 1 1 A 45 45 SER C C 45 172.724 173.340 -0.616 1
1 404 . 4 1 1 A 46 46 ILE N N 46 125.604 126.800 -1.196 1
1 405 . 4 1 1 A 46 46 ILE H H 46 8.584 8.913 -0.329 1
1 406 . 4 1 1 A 46 46 ILE CA C 46 59.369 59.763 -0.394 1
1 407 . 4 1 1 A 46 46 ILE HA H 46 5.182 5.074 0.108 1
1 408 . 4 1 1 A 46 46 ILE CB C 46 40.879 41.432 -0.553 1
1 421 . 4 1 1 A 46 46 ILE C C 46 174.318 174.766 -0.448 1
1 422 . 4 1 1 A 47 47 ALA N N 47 128.948 127.453 1.495 1
1 423 . 4 1 1 A 47 47 ALA H H 47 8.762 8.509 0.253 1
1 424 . 4 1 1 A 47 47 ALA CA C 47 51.123 51.449 -0.326 1
1 425 . 4 1 1 A 47 47 ALA HA H 47 4.724 5.186 -0.462 1
1 426 . 4 1 1 A 47 47 ALA CB C 47 22.575 21.582 0.993 1
1 430 . 4 1 1 A 47 47 ALA C C 47 175.131 175.949 -0.818 1
1 431 . 4 1 1 A 48 48 VAL N N 48 121.512 123.902 -2.390 1
1 432 . 4 1 1 A 48 48 VAL H H 48 8.640 8.978 -0.338 1
1 433 . 4 1 1 A 48 48 VAL CA C 48 61.770 61.750 0.020 1
1 434 . 4 1 1 A 48 48 VAL HA H 48 4.749 4.512 0.237 1
1 435 . 4 1 1 A 48 48 VAL CB C 48 33.642 32.163 1.479 1
1 445 . 4 1 1 A 48 48 VAL C C 48 174.870 175.494 -0.624 1
1 446 . 4 1 1 A 49 49 GLU N N 49 126.757 126.213 0.544 1
1 447 . 4 1 1 A 49 49 GLU H H 49 8.898 8.609 0.289 1
1 448 . 4 1 1 A 49 49 GLU CA C 49 54.457 54.827 -0.370 1
1 449 . 4 1 1 A 49 49 GLU HA H 49 5.003 5.326 -0.323 1
1 450 . 4 1 1 A 49 49 GLU CB C 49 33.209 32.592 0.617 1
1 456 . 4 1 1 A 49 49 GLU C C 49 175.282 176.495 -1.213 1
1 457 . 4 1 1 A 50 50 GLY N N 50 112.668 109.768 2.900 1
1 458 . 4 1 1 A 50 50 GLY H H 50 8.563 8.134 0.429 1
1 459 . 4 1 1 A 50 50 GLY CA C 50 45.534 45.168 0.366 1
1 460 . 4 1 1 A 50 50 GLY HA2 H 50 3.481 3.583 -0.102 1
1 461 . 4 1 1 A 50 50 GLY HA3 H 50 3.836 4.028 -0.192 1
1 462 . 4 1 1 A 50 50 GLY C C 50 171.670 174.015 -2.345 1
1 463 . 4 1 1 A 51 51 PRO CA C 51 64.371 63.948 0.423 1
1 464 . 4 1 1 A 51 51 PRO HA H 51 4.309 4.384 -0.075 1
1 465 . 4 1 1 A 51 51 PRO CB C 51 32.183 31.794 0.389 1
1 474 . 4 1 1 A 51 51 PRO C C 51 175.938 176.079 -0.141 1
1 475 . 4 1 1 A 52 52 SER N N 52 109.776 114.403 -4.627 1
1 476 . 4 1 1 A 52 52 SER H H 52 7.281 7.440 -0.159 1
1 477 . 4 1 1 A 52 52 SER CA C 52 56.747 57.448 -0.701 1
1 478 . 4 1 1 A 52 52 SER HA H 52 4.688 4.881 -0.193 1
1 479 . 4 1 1 A 52 52 SER CB C 52 65.901 67.373 -1.472 1
1 482 . 4 1 1 A 52 52 SER C C 52 172.748 173.615 -0.867 1
1 483 . 4 1 1 A 53 53 LYS N N 53 121.441 121.697 -0.256 1
1 484 . 4 1 1 A 53 53 LYS H H 53 8.607 8.316 0.291 1
1 485 . 4 1 1 A 53 53 LYS CA C 53 56.641 56.574 0.067 1
1 486 . 4 1 1 A 53 53 LYS HA H 53 4.391 4.349 0.042 1
1 487 . 4 1 1 A 53 53 LYS CB C 53 32.323 33.048 -0.725 1
1 499 . 4 1 1 A 53 53 LYS C C 53 175.721 176.043 -0.322 1
1 500 . 4 1 1 A 54 54 ALA N N 54 129.914 123.485 6.429 1
1 501 . 4 1 1 A 54 54 ALA H H 54 8.941 8.498 0.443 1
1 502 . 4 1 1 A 54 54 ALA CA C 54 50.924 50.456 0.468 1
1 503 . 4 1 1 A 54 54 ALA HA H 54 4.962 5.265 -0.303 1
1 504 . 4 1 1 A 54 54 ALA CB C 54 20.004 22.948 -2.944 1
1 508 . 4 1 1 A 54 54 ALA C C 54 176.618 175.205 1.413 1
1 509 . 4 1 1 A 55 55 GLU N N 55 122.179 122.065 0.114 1
1 510 . 4 1 1 A 55 55 GLU H H 55 8.153 8.764 -0.611 1
1 511 . 4 1 1 A 55 55 GLU CA C 55 55.689 56.462 -0.773 1
1 512 . 4 1 1 A 55 55 GLU HA H 55 4.569 4.647 -0.078 1
1 513 . 4 1 1 A 55 55 GLU CB C 55 31.003 30.785 0.218 1
1 519 . 4 1 1 A 55 55 GLU C C 55 176.867 175.423 1.444 1
1 520 . 4 1 1 A 56 56 ILE N N 56 127.733 125.655 2.078 1
1 521 . 4 1 1 A 56 56 ILE H H 56 8.948 8.551 0.397 1
1 522 . 4 1 1 A 56 56 ILE CA C 56 61.345 60.371 0.974 1
1 523 . 4 1 1 A 56 56 ILE HA H 56 4.744 5.032 -0.288 1
1 524 . 4 1 1 A 56 56 ILE CB C 56 40.978 41.907 -0.929 1
1 537 . 4 1 1 A 56 56 ILE C C 56 175.675 174.722 0.953 1
1 538 . 4 1 1 A 57 57 THR N N 57 124.172 123.908 0.264 1
1 539 . 4 1 1 A 57 57 THR H H 57 9.410 8.625 0.785 1
1 540 . 4 1 1 A 57 57 THR CA C 57 61.999 61.818 0.181 1
1 541 . 4 1 1 A 57 57 THR HA H 57 4.504 4.816 -0.312 1
1 542 . 4 1 1 A 57 57 THR CB C 57 70.660 69.988 0.672 1
1 548 . 4 1 1 A 57 57 THR C C 57 172.131 172.840 -0.709 1
1 549 . 4 1 1 A 58 58 PHE N N 58 126.429 128.474 -2.045 1
1 550 . 4 1 1 A 58 58 PHE H H 58 8.796 9.114 -0.318 1
1 551 . 4 1 1 A 58 58 PHE CA C 58 56.680 56.186 0.494 1
1 552 . 4 1 1 A 58 58 PHE HA H 58 4.981 5.265 -0.284 1
1 553 . 4 1 1 A 58 58 PHE CB C 58 42.400 42.276 0.124 1
1 566 . 4 1 1 A 58 58 PHE C C 58 173.719 173.619 0.100 1
1 567 . 4 1 1 A 59 59 ASP N N 59 126.210 126.313 -0.103 1
1 568 . 4 1 1 A 59 59 ASP H H 59 8.707 8.771 -0.064 1
1 569 . 4 1 1 A 59 59 ASP CA C 59 52.784 52.676 0.108 1
1 570 . 4 1 1 A 59 59 ASP HA H 59 4.677 5.525 -0.848 1
1 571 . 4 1 1 A 59 59 ASP CB C 59 42.738 42.340 0.398 1
1 574 . 4 1 1 A 59 59 ASP C C 59 173.710 175.165 -1.455 1
1 575 . 4 1 1 A 60 60 ASP N N 60 123.675 121.961 1.714 1
1 576 . 4 1 1 A 60 60 ASP H H 60 8.490 8.895 -0.405 1
1 577 . 4 1 1 A 60 60 ASP CA C 60 53.871 53.218 0.653 1
1 578 . 4 1 1 A 60 60 ASP HA H 60 4.447 5.177 -0.730 1
1 579 . 4 1 1 A 60 60 ASP CB C 60 41.108 42.017 -0.909 1
1 582 . 4 1 1 A 60 60 ASP C C 60 176.691 176.024 0.667 1
1 583 . 4 1 1 A 61 61 HIS N N 61 124.385 119.322 5.063 1
1 584 . 4 1 1 A 61 61 HIS H H 61 8.122 9.115 -0.993 1
1 585 . 4 1 1 A 61 61 HIS CA C 61 55.608 56.785 -1.177 1
1 586 . 4 1 1 A 61 61 HIS HA H 61 4.769 4.149 0.620 1
1 587 . 4 1 1 A 61 61 HIS CB C 61 28.607 28.695 -0.088 1
1 594 . 4 1 1 A 61 61 HIS C C 61 175.701 175.141 0.560 1
1 595 . 4 1 1 A 62 62 LYS N N 62 115.195 119.382 -4.187 1
1 596 . 4 1 1 A 62 62 LYS H H 62 9.178 7.722 1.456 1
1 597 . 4 1 1 A 62 62 LYS CA C 62 57.585 56.595 0.990 1
1 598 . 4 1 1 A 62 62 LYS HA H 62 4.028 4.100 -0.072 1
1 599 . 4 1 1 A 62 62 LYS CB C 62 29.373 33.014 -3.641 1
1 611 . 4 1 1 A 63 63 ASN N N 63 116.167 118.068 -1.901 1
1 612 . 4 1 1 A 63 63 ASN H H 63 7.900 8.903 -1.003 1
1 613 . 4 1 1 A 63 63 ASN CA C 63 52.056 54.417 -2.361 1
1 614 . 4 1 1 A 63 63 ASN HA H 63 4.835 4.504 0.331 1
1 615 . 4 1 1 A 63 63 ASN CB C 63 38.468 40.118 -1.650 1
1 621 . 4 1 1 A 63 63 ASN C C 63 176.634 174.876 1.758 1
1 622 . 4 1 1 A 64 64 GLY N N 64 108.877 106.676 2.201 1
1 623 . 4 1 1 A 64 64 GLY H H 64 8.718 7.627 1.091 1
1 624 . 4 1 1 A 64 64 GLY CA C 64 45.534 44.793 0.741 1
1 625 . 4 1 1 A 64 64 GLY HA2 H 64 3.619 4.112 -0.493 1
1 626 . 4 1 1 A 64 64 GLY HA3 H 64 4.247 4.114 0.133 1
1 627 . 4 1 1 A 65 65 SER N N 65 115.229 119.613 -4.384 1
1 628 . 4 1 1 A 65 65 SER H H 65 7.962 8.838 -0.876 1
1 629 . 4 1 1 A 65 65 SER CA C 65 57.108 58.763 -1.655 1
1 630 . 4 1 1 A 65 65 SER HA H 65 5.531 4.274 1.257 1
1 631 . 4 1 1 A 65 65 SER CB C 65 67.290 63.128 4.162 1
1 634 . 4 1 1 A 66 66 CYS N N 66 118.007 123.413 -5.406 1
1 635 . 4 1 1 A 66 66 CYS H H 66 8.807 8.785 0.022 1
1 636 . 4 1 1 A 66 66 CYS CA C 66 56.476 60.471 -3.995 1
1 637 . 4 1 1 A 66 66 CYS HA H 66 4.672 4.415 0.257 1
1 638 . 4 1 1 A 66 66 CYS CB C 66 31.077 29.886 1.191 1
1 641 . 4 1 1 A 67 67 GLY N N 67 112.448 106.798 5.650 1
1 642 . 4 1 1 A 67 67 GLY H H 67 8.679 7.338 1.341 1
1 643 . 4 1 1 A 67 67 GLY CA C 67 45.004 43.598 1.406 1
1 644 . 4 1 1 A 67 67 GLY HA2 H 67 3.629 3.740 -0.111 1
1 645 . 4 1 1 A 67 67 GLY HA3 H 67 4.645 3.762 0.883 1
1 646 . 4 1 1 A 67 67 GLY C C 67 171.754 172.103 -0.349 1
1 647 . 4 1 1 A 68 68 VAL N N 68 123.840 120.000 3.840 1
1 648 . 4 1 1 A 68 68 VAL H H 68 8.486 7.571 0.915 1
1 649 . 4 1 1 A 68 68 VAL CA C 68 60.143 60.315 -0.172 1
1 650 . 4 1 1 A 68 68 VAL HA H 68 4.579 4.551 0.028 1
1 651 . 4 1 1 A 68 68 VAL CB C 68 33.946 33.633 0.313 1
1 661 . 4 1 1 A 68 68 VAL C C 68 174.396 174.732 -0.336 1
1 662 . 4 1 1 A 69 69 SER N N 69 119.414 119.693 -0.279 1
1 663 . 4 1 1 A 69 69 SER H H 69 8.450 8.393 0.057 1
1 664 . 4 1 1 A 69 69 SER CA C 69 56.169 55.497 0.672 1
1 665 . 4 1 1 A 69 69 SER HA H 69 5.442 5.447 -0.005 1
1 666 . 4 1 1 A 69 69 SER CB C 69 65.640 66.192 -0.552 1
1 669 . 4 1 1 A 69 69 SER C C 69 173.189 173.684 -0.495 1
1 670 . 4 1 1 A 70 70 TYR N N 70 119.504 117.370 2.134 1
1 671 . 4 1 1 A 70 70 TYR H H 70 8.771 8.615 0.156 1
1 672 . 4 1 1 A 70 70 TYR CA C 70 54.962 56.404 -1.442 1
1 673 . 4 1 1 A 70 70 TYR HA H 70 5.922 5.547 0.375 1
1 674 . 4 1 1 A 70 70 TYR CB C 70 42.710 41.154 1.556 1
1 685 . 4 1 1 A 70 70 TYR C C 70 173.056 172.722 0.334 1
1 686 . 4 1 1 A 71 71 ILE N N 71 117.727 123.160 -5.433 1
1 687 . 4 1 1 A 71 71 ILE H H 71 8.196 8.617 -0.421 1
1 688 . 4 1 1 A 71 71 ILE CA C 71 60.132 59.715 0.417 1
1 689 . 4 1 1 A 71 71 ILE HA H 71 4.161 4.905 -0.744 1
1 690 . 4 1 1 A 71 71 ILE CB C 71 40.790 40.801 -0.011 1
1 703 . 4 1 1 A 71 71 ILE C C 71 175.114 174.885 0.229 1
1 704 . 4 1 1 A 72 72 ALA N N 72 133.145 127.299 5.846 1
1 705 . 4 1 1 A 72 72 ALA H H 72 9.466 8.353 1.113 1
1 706 . 4 1 1 A 72 72 ALA CA C 72 50.261 50.370 -0.109 1
1 707 . 4 1 1 A 72 72 ALA HA H 72 4.567 4.644 -0.077 1
1 708 . 4 1 1 A 72 72 ALA CB C 72 19.699 19.858 -0.159 1
1 712 . 4 1 1 A 72 72 ALA C C 72 177.170 177.603 -0.433 1
1 713 . 4 1 1 A 73 73 GLN N N 73 120.464 124.286 -3.822 1
1 714 . 4 1 1 A 73 73 GLN H H 73 8.649 8.534 0.115 1
1 715 . 4 1 1 A 73 73 GLN CA C 73 57.614 58.897 -1.283 1
1 716 . 4 1 1 A 73 73 GLN HA H 73 4.083 4.109 -0.026 1
1 717 . 4 1 1 A 73 73 GLN CB C 73 29.667 28.876 0.791 1
1 726 . 4 1 1 A 73 73 GLN C C 73 175.643 176.452 -0.809 1
1 727 . 4 1 1 A 74 74 GLU N N 74 114.557 117.609 -3.052 1
1 728 . 4 1 1 A 74 74 GLU H H 74 7.102 8.178 -1.076 1
1 729 . 4 1 1 A 74 74 GLU CA C 74 52.242 53.026 -0.784 1
1 730 . 4 1 1 A 74 74 GLU HA H 74 4.988 4.782 0.206 1
1 731 . 4 1 1 A 74 74 GLU CB C 74 31.732 30.823 0.909 1
1 737 . 4 1 1 A 74 74 GLU C C 74 174.462 173.976 0.486 1
1 738 . 4 1 1 A 75 75 PRO CA C 75 63.007 63.303 -0.296 1
1 739 . 4 1 1 A 75 75 PRO HA H 75 4.335 4.662 -0.327 1
1 740 . 4 1 1 A 75 75 PRO CB C 75 32.866 32.999 -0.133 1
1 749 . 4 1 1 A 75 75 PRO C C 75 174.572 175.956 -1.384 1
1 750 . 4 1 1 A 76 76 GLY N N 76 107.234 107.683 -0.449 1
1 751 . 4 1 1 A 76 76 GLY H H 76 9.012 8.539 0.473 1
1 752 . 4 1 1 A 76 76 GLY CA C 76 44.615 44.814 -0.199 1
1 753 . 4 1 1 A 76 76 GLY HA2 H 76 3.850 4.181 -0.331 1
1 754 . 4 1 1 A 76 76 GLY HA3 H 76 4.201 4.210 -0.009 1
1 755 . 4 1 1 A 76 76 GLY C C 76 171.133 173.186 -2.053 1
1 756 . 4 1 1 A 77 77 ASN N N 77 119.292 117.352 1.940 1
1 757 . 4 1 1 A 77 77 ASN H H 77 8.549 8.541 0.008 1
1 758 . 4 1 1 A 77 77 ASN CA C 77 52.364 52.178 0.186 1
1 759 . 4 1 1 A 77 77 ASN HA H 77 5.369 5.262 0.107 1
1 760 . 4 1 1 A 77 77 ASN CB C 77 39.176 38.317 0.859 1
1 766 . 4 1 1 A 77 77 ASN C C 77 174.470 173.769 0.701 1
1 767 . 4 1 1 A 78 78 TYR N N 78 123.809 124.900 -1.091 1
1 768 . 4 1 1 A 78 78 TYR H H 78 9.094 8.868 0.226 1
1 769 . 4 1 1 A 78 78 TYR CA C 78 56.818 57.709 -0.891 1
1 770 . 4 1 1 A 78 78 TYR HA H 78 4.859 4.939 -0.080 1
1 771 . 4 1 1 A 78 78 TYR CB C 78 39.860 39.220 0.640 1
1 782 . 4 1 1 A 78 78 TYR C C 78 174.184 174.938 -0.754 1
1 783 . 4 1 1 A 79 79 GLU N N 79 122.250 125.745 -3.495 1
1 784 . 4 1 1 A 79 79 GLU H H 79 9.259 8.864 0.395 1
1 785 . 4 1 1 A 79 79 GLU CA C 79 54.692 55.889 -1.197 1
1 786 . 4 1 1 A 79 79 GLU HA H 79 5.313 4.976 0.337 1
1 787 . 4 1 1 A 79 79 GLU CB C 79 32.159 30.475 1.684 1
1 793 . 4 1 1 A 79 79 GLU C C 79 176.631 175.202 1.429 1
1 794 . 4 1 1 A 80 80 VAL N N 80 131.418 128.018 3.400 1
1 795 . 4 1 1 A 80 80 VAL H H 80 9.761 8.413 1.348 1
1 796 . 4 1 1 A 80 80 VAL CA C 80 61.522 62.211 -0.689 1
1 797 . 4 1 1 A 80 80 VAL HA H 80 4.801 4.783 0.018 1
1 798 . 4 1 1 A 80 80 VAL CB C 80 32.818 31.637 1.181 1
1 808 . 4 1 1 A 80 80 VAL C C 80 175.573 175.293 0.280 1
1 809 . 4 1 1 A 81 81 SER N N 81 123.238 124.103 -0.865 1
1 810 . 4 1 1 A 81 81 SER H H 81 9.457 9.116 0.341 1
1 811 . 4 1 1 A 81 81 SER CA C 81 57.589 58.029 -0.440 1
1 812 . 4 1 1 A 81 81 SER HA H 81 5.167 5.049 0.118 1
1 813 . 4 1 1 A 81 81 SER CB C 81 64.882 64.008 0.874 1
1 816 . 4 1 1 A 81 81 SER C C 81 173.514 174.154 -0.640 1
1 817 . 4 1 1 A 82 82 ILE N N 82 126.261 127.800 -1.539 1
1 818 . 4 1 1 A 82 82 ILE H H 82 9.642 9.287 0.355 1
1 819 . 4 1 1 A 82 82 ILE CA C 82 60.992 59.937 1.055 1
1 820 . 4 1 1 A 82 82 ILE HA H 82 4.667 5.017 -0.350 1
1 821 . 4 1 1 A 82 82 ILE CB C 82 40.692 40.331 0.361 1
1 834 . 4 1 1 A 82 82 ILE C C 82 173.498 175.371 -1.873 1
1 835 . 4 1 1 A 83 83 LYS N N 83 123.477 126.390 -2.913 1
1 836 . 4 1 1 A 83 83 LYS H H 83 8.720 8.739 -0.019 1
1 837 . 4 1 1 A 83 83 LYS CA C 83 53.730 54.920 -1.190 1
1 838 . 4 1 1 A 83 83 LYS HA H 83 5.139 5.228 -0.089 1
1 839 . 4 1 1 A 83 83 LYS CB C 83 36.351 35.016 1.335 1
1 851 . 4 1 1 A 83 83 LYS C C 83 174.914 174.517 0.397 1
1 852 . 4 1 1 A 84 84 PHE N N 84 122.298 126.182 -3.884 1
1 853 . 4 1 1 A 84 84 PHE H H 84 9.154 9.074 0.080 1
1 854 . 4 1 1 A 84 84 PHE CA C 84 56.057 57.487 -1.430 1
1 855 . 4 1 1 A 84 84 PHE HA H 84 5.238 4.743 0.495 1
1 856 . 4 1 1 A 84 84 PHE CB C 84 43.136 40.773 2.363 1
1 867 . 4 1 1 A 84 84 PHE C C 84 175.864 175.082 0.782 1
1 868 . 4 1 1 A 85 85 ASN N N 85 127.936 124.830 3.106 1
1 869 . 4 1 1 A 85 85 ASN H H 85 9.040 8.858 0.182 1
1 870 . 4 1 1 A 85 85 ASN CA C 85 54.448 54.334 0.114 1
1 871 . 4 1 1 A 85 85 ASN HA H 85 4.206 4.149 0.057 1
1 872 . 4 1 1 A 85 85 ASN CB C 85 36.554 36.541 0.013 1
1 878 . 4 1 1 A 85 85 ASN C C 85 174.620 174.083 0.537 1
1 879 . 4 1 1 A 86 86 ASP N N 86 108.763 109.966 -1.203 1
1 880 . 4 1 1 A 86 86 ASP H H 86 8.828 8.475 0.353 1
1 881 . 4 1 1 A 86 86 ASP CA C 86 56.405 55.541 0.864 1
1 882 . 4 1 1 A 86 86 ASP HA H 86 3.946 4.223 -0.277 1
1 883 . 4 1 1 A 86 86 ASP CB C 86 40.367 39.021 1.346 1
1 886 . 4 1 1 A 86 86 ASP C C 86 174.169 174.581 -0.412 1
1 887 . 4 1 1 A 87 87 GLU N N 87 119.289 117.172 2.117 1
1 888 . 4 1 1 A 87 87 GLU H H 87 7.510 7.612 -0.102 1
1 889 . 4 1 1 A 87 87 GLU CA C 87 54.483 54.697 -0.214 1
1 890 . 4 1 1 A 87 87 GLU HA H 87 4.743 4.907 -0.164 1
1 891 . 4 1 1 A 87 87 GLU CB C 87 32.763 33.792 -1.029 1
1 897 . 4 1 1 A 87 87 GLU C C 87 175.825 175.371 0.454 1
1 898 . 4 1 1 A 88 88 HIS N N 88 123.465 120.439 3.026 1
1 899 . 4 1 1 A 88 88 HIS H H 88 8.822 9.201 -0.379 1
1 900 . 4 1 1 A 88 88 HIS CA C 88 59.117 55.385 3.732 1
1 901 . 4 1 1 A 88 88 HIS HA H 88 4.511 4.986 -0.475 1
1 902 . 4 1 1 A 88 88 HIS CB C 88 32.254 29.797 2.457 1
1 909 . 4 1 1 A 88 88 HIS C C 88 177.352 175.604 1.748 1
1 910 . 4 1 1 A 89 89 ILE N N 89 117.945 123.165 -5.220 1
1 911 . 4 1 1 A 89 89 ILE H H 89 8.131 8.452 -0.321 1
1 912 . 4 1 1 A 89 89 ILE CA C 89 61.121 59.998 1.123 1
1 913 . 4 1 1 A 89 89 ILE HA H 89 4.519 4.467 0.052 1
1 914 . 4 1 1 A 89 89 ILE CB C 89 35.538 37.689 -2.151 1
1 927 . 4 1 1 A 89 89 ILE C C 89 173.831 176.839 -3.008 1
1 928 . 4 1 1 A 90 90 PRO CA C 90 66.545 64.315 2.230 1
1 929 . 4 1 1 A 90 90 PRO HA H 90 4.223 4.553 -0.330 1
1 930 . 4 1 1 A 90 90 PRO CB C 90 31.693 31.559 0.134 1
1 939 . 4 1 1 A 90 90 PRO C C 90 177.046 176.525 0.521 1
1 940 . 4 1 1 A 91 91 GLU N N 91 113.835 117.123 -3.288 1
1 941 . 4 1 1 A 91 91 GLU H H 91 8.223 8.202 0.021 1
1 942 . 4 1 1 A 91 91 GLU CA C 91 57.913 56.283 1.630 1
1 943 . 4 1 1 A 91 91 GLU HA H 91 3.733 4.365 -0.632 1
1 944 . 4 1 1 A 91 91 GLU CB C 91 27.681 31.173 -3.492 1
1 950 . 4 1 1 A 91 91 GLU C C 91 173.469 175.561 -2.092 1
1 951 . 4 1 1 A 92 92 SER N N 92 111.462 113.546 -2.084 1
1 952 . 4 1 1 A 92 92 SER H H 92 7.489 7.585 -0.096 1
1 953 . 4 1 1 A 92 92 SER CA C 92 54.873 55.241 -0.368 1
1 954 . 4 1 1 A 92 92 SER HA H 92 4.427 4.746 -0.319 1
1 955 . 4 1 1 A 92 92 SER CB C 92 63.317 64.964 -1.647 1
1 958 . 4 1 1 A 92 92 SER C C 92 174.195 172.566 1.629 1
1 959 . 4 1 1 A 93 93 PRO CA C 93 62.333 62.498 -0.165 1
1 960 . 4 1 1 A 93 93 PRO HA H 93 5.483 4.741 0.742 1
1 961 . 4 1 1 A 93 93 PRO CB C 93 34.386 32.663 1.723 1
1 970 . 4 1 1 A 93 93 PRO C C 93 176.059 174.975 1.084 1
1 971 . 4 1 1 A 94 94 TYR N N 94 122.179 119.295 2.884 1
1 972 . 4 1 1 A 94 94 TYR H H 94 9.372 8.987 0.385 1
1 973 . 4 1 1 A 94 94 TYR CA C 94 57.101 57.093 0.008 1
1 974 . 4 1 1 A 94 94 TYR HA H 94 4.531 5.146 -0.615 1
1 975 . 4 1 1 A 94 94 TYR CB C 94 40.027 41.534 -1.507 1
1 986 . 4 1 1 A 94 94 TYR C C 94 175.281 174.457 0.824 1
1 987 . 4 1 1 A 95 95 LEU N N 95 126.428 123.728 2.700 1
1 988 . 4 1 1 A 95 95 LEU H H 95 8.807 8.784 0.023 1
1 989 . 4 1 1 A 95 95 LEU CA C 95 54.200 53.748 0.452 1
1 990 . 4 1 1 A 95 95 LEU HA H 95 4.981 5.122 -0.141 1
1 991 . 4 1 1 A 95 95 LEU CB C 95 41.894 44.810 -2.916 1
1 1004 . 4 1 1 A 95 95 LEU C C 95 176.295 174.576 1.719 1
1 1005 . 4 1 1 A 96 96 VAL N N 96 130.944 127.053 3.891 1
1 1006 . 4 1 1 A 96 96 VAL H H 96 9.629 8.815 0.814 1
1 1007 . 4 1 1 A 96 96 VAL CA C 96 59.813 59.417 0.396 1
1 1008 . 4 1 1 A 96 96 VAL HA H 96 4.469 4.646 -0.177 1
1 1009 . 4 1 1 A 96 96 VAL CB C 96 35.052 33.441 1.611 1
1 1019 . 4 1 1 A 96 96 VAL C C 96 173.734 174.506 -0.772 1
1 1020 . 4 1 1 A 97 97 PRO CA C 97 62.379 62.433 -0.054 1
1 1021 . 4 1 1 A 97 97 PRO HA H 97 5.016 4.810 0.206 1
1 1022 . 4 1 1 A 97 97 PRO CB C 97 32.163 31.127 1.036 1
1 1031 . 4 1 1 A 97 97 PRO C C 97 175.950 176.145 -0.195 1
1 1032 . 4 1 1 A 98 98 VAL N N 98 125.524 124.083 1.441 1
1 1033 . 4 1 1 A 98 98 VAL H H 98 9.196 8.857 0.339 1
1 1034 . 4 1 1 A 98 98 VAL CA C 98 61.345 62.840 -1.495 1
1 1035 . 4 1 1 A 98 98 VAL HA H 98 4.411 4.785 -0.374 1
1 1036 . 4 1 1 A 98 98 VAL CB C 98 32.037 32.268 -0.231 1
1 1046 . 4 1 1 A 98 98 VAL C C 98 176.996 175.924 1.072 1
1 1047 . 4 1 1 A 99 99 ILE N N 99 124.035 122.228 1.807 1
1 1048 . 4 1 1 A 99 99 ILE H H 99 8.392 8.785 -0.393 1
1 1049 . 4 1 1 A 99 99 ILE CA C 99 59.802 58.860 0.942 1
1 1050 . 4 1 1 A 99 99 ILE HA H 99 4.651 5.108 -0.457 1
1 1051 . 4 1 1 A 99 99 ILE CB C 99 40.609 42.004 -1.395 1
1 1064 . 4 1 1 A 99 99 ILE C C 99 175.482 174.387 1.095 1
1 1065 . 4 1 1 A 100 100 ALA N N 100 125.837 125.128 0.709 1
1 1066 . 4 1 1 A 100 100 ALA H H 100 8.714 8.529 0.185 1
1 1067 . 4 1 1 A 100 100 ALA CA C 100 50.416 49.919 0.497 1
1 1068 . 4 1 1 A 100 100 ALA HA H 100 4.603 4.579 0.024 1
1 1069 . 4 1 1 A 100 100 ALA CB C 100 18.088 20.031 -1.943 1
1 1073 . 4 1 1 A 100 100 ALA C C 100 175.264 176.319 -1.055 1
1 1074 . 4 1 1 A 101 101 PRO CA C 101 63.104 62.703 0.401 1
1 1075 . 4 1 1 A 101 101 PRO HA H 101 4.483 4.638 -0.155 1
1 1076 . 4 1 1 A 101 101 PRO CB C 101 32.222 31.701 0.521 1
1 1085 . 4 1 1 A 101 101 PRO C C 101 176.976 177.027 -0.051 1
1 1086 . 4 1 1 A 102 102 SER N N 102 116.530 120.179 -3.649 1
1 1087 . 4 1 1 A 102 102 SER H H 102 8.527 8.304 0.223 1
1 1088 . 4 1 1 A 102 102 SER CA C 102 58.283 60.397 -2.114 1
1 1089 . 4 1 1 A 102 102 SER HA H 102 4.433 4.535 -0.102 1
1 1090 . 4 1 1 A 102 102 SER CB C 102 64.078 63.904 0.174 1
1 1093 . 4 1 1 A 102 102 SER C C 102 174.510 173.846 0.664 1
1 1094 . 4 1 1 A 103 103 ASP N N 103 123.018 125.247 -2.229 1
1 1095 . 4 1 1 A 103 103 ASP H H 103 8.450 8.783 -0.333 1
1 1096 . 4 1 1 A 103 103 ASP CA C 103 54.431 52.658 1.773 1
1 1097 . 4 1 1 A 103 103 ASP HA H 103 4.654 5.272 -0.618 1
1 1098 . 4 1 1 A 103 103 ASP CB C 103 41.226 41.799 -0.573 1
1 1101 . 4 1 1 A 103 103 ASP C C 103 175.889 175.189 0.700 1
1 1102 . 4 1 1 A 104 104 ASP N N 104 120.896 117.962 2.934 1
1 1103 . 4 1 1 A 104 104 ASP H H 104 8.264 8.887 -0.623 1
1 1104 . 4 1 1 A 104 104 ASP CA C 104 54.283 55.377 -1.094 1
1 1105 . 4 1 1 A 104 104 ASP HA H 104 4.601 4.163 0.438 1
1 1106 . 4 1 1 A 104 104 ASP CB C 104 41.183 39.519 1.664 1
1 1109 . 4 1 1 A 104 104 ASP C C 104 175.065 174.803 0.262 1
1 1 . 5 1 1 A 7 7 GLY N N 7 110.767 107.822 2.945 1
1 2 . 5 1 1 A 7 7 GLY H H 7 8.421 8.358 0.063 1
1 3 . 5 1 1 A 7 7 GLY CA C 7 45.393 45.447 -0.054 1
1 4 . 5 1 1 A 7 7 GLY HA2 H 7 4.003 4.237 -0.234 1
1 5 . 5 1 1 A 7 7 GLY HA3 H 7 4.003 4.251 -0.248 1
1 6 . 5 1 1 A 7 7 GLY C C 7 174.160 172.530 1.630 1
1 7 . 5 1 1 A 8 8 GLU N N 8 120.419 125.065 -4.646 1
1 8 . 5 1 1 A 8 8 GLU H H 8 8.320 9.001 -0.681 1
1 9 . 5 1 1 A 8 8 GLU CA C 8 56.499 55.745 0.754 1
1 10 . 5 1 1 A 8 8 GLU HA H 8 4.390 4.774 -0.384 1
1 11 . 5 1 1 A 8 8 GLU CB C 8 30.615 30.460 0.155 1
1 17 . 5 1 1 A 8 8 GLU C C 8 176.858 176.366 0.492 1
1 18 . 5 1 1 A 9 9 GLY N N 9 109.731 114.659 -4.928 1
1 19 . 5 1 1 A 9 9 GLY H H 9 8.522 8.556 -0.034 1
1 20 . 5 1 1 A 9 9 GLY CA C 9 45.110 44.782 0.328 1
1 21 . 5 1 1 A 9 9 GLY HA2 H 9 4.090 4.162 -0.072 1
1 22 . 5 1 1 A 9 9 GLY HA3 H 9 3.931 4.185 -0.254 1
1 23 . 5 1 1 A 9 9 GLY C C 9 173.933 173.472 0.461 1
1 24 . 5 1 1 A 10 10 GLY N N 10 107.139 108.928 -1.789 1
1 25 . 5 1 1 A 10 10 GLY H H 10 8.393 8.144 0.249 1
1 26 . 5 1 1 A 10 10 GLY CA C 10 45.039 46.523 -1.484 1
1 27 . 5 1 1 A 10 10 GLY HA2 H 10 3.868 4.475 -0.607 1
1 28 . 5 1 1 A 10 10 GLY HA3 H 10 4.528 4.511 0.017 1
1 29 . 5 1 1 A 10 10 GLY C C 10 174.561 173.862 0.699 1
1 30 . 5 1 1 A 11 11 ALA N N 11 122.466 127.985 -5.519 1
1 31 . 5 1 1 A 11 11 ALA H H 11 8.875 8.910 -0.035 1
1 32 . 5 1 1 A 11 11 ALA CA C 11 55.391 54.957 0.434 1
1 33 . 5 1 1 A 11 11 ALA HA H 11 3.803 3.979 -0.176 1
1 34 . 5 1 1 A 11 11 ALA CB C 11 19.583 18.781 0.802 1
1 38 . 5 1 1 A 11 11 ALA C C 11 178.242 180.021 -1.779 1
1 39 . 5 1 1 A 12 12 HIS N N 12 111.513 115.347 -3.834 1
1 40 . 5 1 1 A 12 12 HIS H H 12 8.290 8.593 -0.303 1
1 41 . 5 1 1 A 12 12 HIS CA C 12 57.847 58.811 -0.964 1
1 42 . 5 1 1 A 12 12 HIS HA H 12 4.443 4.368 0.075 1
1 43 . 5 1 1 A 12 12 HIS CB C 12 29.321 28.675 0.646 1
1 50 . 5 1 1 A 12 12 HIS C C 12 176.189 176.189 0.000 1
1 51 . 5 1 1 A 13 13 LYS N N 13 118.111 118.045 0.066 1
1 52 . 5 1 1 A 13 13 LYS H H 13 7.558 7.244 0.314 1
1 53 . 5 1 1 A 13 13 LYS CA C 13 54.660 55.500 -0.840 1
1 54 . 5 1 1 A 13 13 LYS HA H 13 4.202 4.165 0.037 1
1 55 . 5 1 1 A 13 13 LYS CB C 13 32.655 32.332 0.323 1
1 67 . 5 1 1 A 13 13 LYS C C 13 176.721 174.473 2.248 1
1 68 . 5 1 1 A 14 14 VAL N N 14 123.625 119.157 4.468 1
1 69 . 5 1 1 A 14 14 VAL H H 14 7.499 7.371 0.128 1
1 70 . 5 1 1 A 14 14 VAL CA C 14 63.247 60.157 3.090 1
1 71 . 5 1 1 A 14 14 VAL HA H 14 3.907 4.651 -0.744 1
1 72 . 5 1 1 A 14 14 VAL CB C 14 31.649 35.934 -4.285 1
1 82 . 5 1 1 A 15 15 ARG H H 15 8.106 9.050 -0.944 1
1 83 . 5 1 1 A 15 15 ARG CA C 15 53.791 53.870 -0.079 1
1 84 . 5 1 1 A 15 15 ARG HA H 15 5.021 5.122 -0.101 1
1 85 . 5 1 1 A 15 15 ARG CB C 15 34.207 34.007 0.200 1
1 94 . 5 1 1 A 16 16 ALA N N 16 123.795 122.077 1.718 1
1 95 . 5 1 1 A 16 16 ALA H H 16 8.875 8.842 0.033 1
1 96 . 5 1 1 A 16 16 ALA CA C 16 51.092 50.758 0.334 1
1 97 . 5 1 1 A 16 16 ALA HA H 16 5.569 4.970 0.599 1
1 98 . 5 1 1 A 16 16 ALA CB C 16 23.845 21.924 1.921 1
1 102 . 5 1 1 A 17 17 GLY N N 17 106.516 107.184 -0.668 1
1 103 . 5 1 1 A 17 17 GLY H H 17 8.616 8.516 0.100 1
1 104 . 5 1 1 A 17 17 GLY CA C 17 46.205 45.063 1.142 1
1 105 . 5 1 1 A 17 17 GLY HA2 H 17 4.289 4.147 0.142 1
1 106 . 5 1 1 A 17 17 GLY HA3 H 17 4.226 4.148 0.078 1
1 107 . 5 1 1 A 18 18 GLY N N 18 111.804 108.415 3.389 1
1 108 . 5 1 1 A 18 18 GLY H H 18 8.816 8.407 0.409 1
1 109 . 5 1 1 A 18 18 GLY CA C 18 44.595 47.180 -2.585 1
1 110 . 5 1 1 A 18 18 GLY HA2 H 18 4.105 4.055 0.050 1
1 111 . 5 1 1 A 18 18 GLY HA3 H 18 4.105 4.060 0.045 1
1 112 . 5 1 1 A 19 19 PRO CA C 19 65.526 63.618 1.908 1
1 113 . 5 1 1 A 19 19 PRO HA H 19 4.335 4.240 0.095 1
1 114 . 5 1 1 A 19 19 PRO CB C 19 31.790 32.385 -0.595 1
1 123 . 5 1 1 A 19 19 PRO C C 19 179.208 177.168 2.040 1
1 124 . 5 1 1 A 20 20 GLY N N 20 103.234 110.113 -6.879 1
1 125 . 5 1 1 A 20 20 GLY H H 20 9.282 8.802 0.480 1
1 126 . 5 1 1 A 20 20 GLY CA C 20 46.361 45.676 0.685 1
1 127 . 5 1 1 A 20 20 GLY HA2 H 20 3.214 3.947 -0.733 1
1 128 . 5 1 1 A 20 20 GLY HA3 H 20 4.184 3.990 0.194 1
1 129 . 5 1 1 A 20 20 GLY C C 20 172.711 176.006 -3.295 1
1 130 . 5 1 1 A 21 21 LEU N N 21 116.307 121.994 -5.687 1
1 131 . 5 1 1 A 21 21 LEU H H 21 7.559 7.912 -0.353 1
1 132 . 5 1 1 A 21 21 LEU CA C 21 53.980 57.502 -3.522 1
1 133 . 5 1 1 A 21 21 LEU HA H 21 4.166 4.040 0.126 1
1 134 . 5 1 1 A 21 21 LEU CB C 21 40.135 41.000 -0.865 1
1 147 . 5 1 1 A 21 21 LEU C C 21 175.859 178.822 -2.963 1
1 148 . 5 1 1 A 22 22 GLU N N 22 119.926 118.652 1.274 1
1 149 . 5 1 1 A 22 22 GLU H H 22 7.927 8.061 -0.134 1
1 150 . 5 1 1 A 22 22 GLU CA C 22 57.490 59.891 -2.401 1
1 151 . 5 1 1 A 22 22 GLU HA H 22 4.511 4.139 0.372 1
1 152 . 5 1 1 A 22 22 GLU CB C 22 32.057 29.753 2.304 1
1 158 . 5 1 1 A 22 22 GLU C C 22 175.521 176.400 -0.879 1
1 159 . 5 1 1 A 23 23 ARG N N 23 116.789 117.683 -0.894 1
1 160 . 5 1 1 A 23 23 ARG H H 23 8.340 7.746 0.594 1
1 161 . 5 1 1 A 23 23 ARG CA C 23 56.464 55.012 1.452 1
1 162 . 5 1 1 A 23 23 ARG HA H 23 4.688 4.912 -0.224 1
1 163 . 5 1 1 A 23 23 ARG CB C 23 32.571 33.868 -1.297 1
1 174 . 5 1 1 A 23 23 ARG C C 23 173.992 174.699 -0.707 1
1 175 . 5 1 1 A 24 24 GLY N N 24 108.837 111.679 -2.842 1
1 176 . 5 1 1 A 24 24 GLY H H 24 8.736 8.294 0.442 1
1 177 . 5 1 1 A 24 24 GLY CA C 24 43.943 44.634 -0.691 1
1 178 . 5 1 1 A 24 24 GLY HA2 H 24 3.510 4.425 -0.915 1
1 179 . 5 1 1 A 24 24 GLY HA3 H 24 4.679 4.476 0.203 1
1 180 . 5 1 1 A 24 24 GLY C C 24 171.930 172.693 -0.763 1
1 181 . 5 1 1 A 25 25 GLU N N 25 122.126 120.953 1.173 1
1 182 . 5 1 1 A 25 25 GLU H H 25 9.429 8.564 0.865 1
1 183 . 5 1 1 A 25 25 GLU CA C 25 54.209 54.630 -0.421 1
1 184 . 5 1 1 A 25 25 GLU HA H 25 5.049 5.238 -0.189 1
1 185 . 5 1 1 A 25 25 GLU CB C 25 32.945 33.782 -0.837 1
1 191 . 5 1 1 A 25 25 GLU C C 25 175.853 175.813 0.040 1
1 192 . 5 1 1 A 26 26 ALA N N 26 128.654 126.402 2.252 1
1 193 . 5 1 1 A 26 26 ALA H H 26 8.518 8.927 -0.409 1
1 194 . 5 1 1 A 26 26 ALA CA C 26 53.187 53.939 -0.752 1
1 195 . 5 1 1 A 26 26 ALA HA H 26 3.855 4.192 -0.337 1
1 196 . 5 1 1 A 26 26 ALA CB C 26 17.420 18.341 -0.921 1
1 200 . 5 1 1 A 26 26 ALA C C 26 177.837 178.396 -0.559 1
1 201 . 5 1 1 A 27 27 GLY N N 27 108.210 110.958 -2.748 1
1 202 . 5 1 1 A 27 27 GLY H H 27 8.583 8.938 -0.355 1
1 203 . 5 1 1 A 27 27 GLY CA C 27 45.619 45.605 0.014 1
1 204 . 5 1 1 A 27 27 GLY HA2 H 27 3.364 3.879 -0.515 1
1 205 . 5 1 1 A 27 27 GLY HA3 H 27 4.158 3.887 0.271 1
1 206 . 5 1 1 A 27 27 GLY C C 27 173.084 173.755 -0.671 1
1 207 . 5 1 1 A 28 28 VAL N N 28 122.974 121.381 1.593 1
1 208 . 5 1 1 A 28 28 VAL H H 28 7.878 7.463 0.415 1
1 209 . 5 1 1 A 28 28 VAL CA C 28 59.182 58.715 0.467 1
1 210 . 5 1 1 A 28 28 VAL HA H 28 4.510 4.375 0.135 1
1 211 . 5 1 1 A 28 28 VAL CB C 28 34.549 34.244 0.305 1
1 221 . 5 1 1 A 28 28 VAL C C 28 174.171 174.609 -0.438 1
1 222 . 5 1 1 A 29 29 PRO CA C 29 64.354 62.086 2.268 1
1 223 . 5 1 1 A 29 29 PRO HA H 29 4.064 4.630 -0.566 1
1 224 . 5 1 1 A 29 29 PRO CB C 29 31.464 31.127 0.337 1
1 233 . 5 1 1 A 29 29 PRO C C 29 174.718 175.727 -1.009 1
1 234 . 5 1 1 A 30 30 ALA N N 30 131.821 126.590 5.231 1
1 235 . 5 1 1 A 30 30 ALA H H 30 8.990 7.829 1.161 1
1 236 . 5 1 1 A 30 30 ALA CA C 30 50.482 51.322 -0.840 1
1 237 . 5 1 1 A 30 30 ALA HA H 30 4.558 4.496 0.062 1
1 238 . 5 1 1 A 30 30 ALA CB C 30 18.793 18.709 0.084 1
1 242 . 5 1 1 A 30 30 ALA C C 30 176.319 176.400 -0.081 1
1 243 . 5 1 1 A 31 31 GLU N N 31 119.523 124.310 -4.787 1
1 244 . 5 1 1 A 31 31 GLU H H 31 8.273 8.949 -0.676 1
1 245 . 5 1 1 A 31 31 GLU CA C 31 55.261 55.173 0.088 1
1 246 . 5 1 1 A 31 31 GLU HA H 31 5.290 4.972 0.318 1
1 247 . 5 1 1 A 31 31 GLU CB C 31 33.484 31.647 1.837 1
1 253 . 5 1 1 A 31 31 GLU C C 31 176.617 175.861 0.756 1
1 254 . 5 1 1 A 32 32 PHE N N 32 115.139 119.823 -4.684 1
1 255 . 5 1 1 A 32 32 PHE H H 32 8.905 8.380 0.525 1
1 256 . 5 1 1 A 32 32 PHE CA C 32 57.490 56.068 1.422 1
1 257 . 5 1 1 A 32 32 PHE HA H 32 5.031 5.217 -0.186 1
1 258 . 5 1 1 A 32 32 PHE CB C 32 39.989 41.874 -1.885 1
1 271 . 5 1 1 A 32 32 PHE C C 32 172.714 172.401 0.313 1
1 272 . 5 1 1 A 33 33 SER CA C 33 57.324 57.871 -0.547 1
1 273 . 5 1 1 A 33 33 SER HA H 33 5.404 4.907 0.497 1
1 274 . 5 1 1 A 33 33 SER CB C 33 66.623 64.399 2.224 1
1 277 . 5 1 1 A 34 34 ILE N N 34 127.688 123.850 3.838 1
1 278 . 5 1 1 A 34 34 ILE H H 34 9.577 8.745 0.832 1
1 279 . 5 1 1 A 34 34 ILE CA C 34 60.614 60.486 0.128 1
1 280 . 5 1 1 A 34 34 ILE HA H 34 4.668 4.603 0.065 1
1 281 . 5 1 1 A 34 34 ILE CB C 34 41.681 39.541 2.140 1
1 294 . 5 1 1 A 35 35 TRP CA C 35 58.440 56.586 1.854 1
1 295 . 5 1 1 A 35 35 TRP HA H 35 5.262 5.043 0.219 1
1 296 . 5 1 1 A 35 35 TRP CB C 35 30.511 31.000 -0.489 1
1 311 . 5 1 1 A 36 36 THR N N 36 114.021 113.388 0.633 1
1 312 . 5 1 1 A 36 36 THR H H 36 8.680 8.965 -0.285 1
1 313 . 5 1 1 A 36 36 THR CA C 36 61.459 60.566 0.893 1
1 314 . 5 1 1 A 36 36 THR HA H 36 4.364 5.058 -0.694 1
1 315 . 5 1 1 A 36 36 THR CB C 36 69.197 70.117 -0.920 1
1 321 . 5 1 1 A 37 37 ARG CA C 37 56.501 58.423 -1.922 1
1 322 . 5 1 1 A 37 37 ARG HA H 37 4.207 4.268 -0.061 1
1 323 . 5 1 1 A 37 37 ARG CB C 37 30.884 30.412 0.472 1
1 332 . 5 1 1 A 37 37 ARG C C 37 173.005 178.683 -5.678 1
1 333 . 5 1 1 A 38 38 GLU H H 38 8.371 8.117 0.254 1
1 334 . 5 1 1 A 38 38 GLU CA C 38 56.895 59.171 -2.276 1
1 335 . 5 1 1 A 38 38 GLU HA H 38 4.270 4.082 0.188 1
1 336 . 5 1 1 A 38 38 GLU CB C 38 30.001 29.438 0.563 1
1 342 . 5 1 1 A 39 39 ALA N N 39 121.133 121.012 0.121 1
1 343 . 5 1 1 A 39 39 ALA H H 39 7.665 7.147 0.518 1
1 344 . 5 1 1 A 39 39 ALA CA C 39 52.963 52.974 -0.011 1
1 345 . 5 1 1 A 39 39 ALA HA H 39 3.964 4.157 -0.193 1
1 346 . 5 1 1 A 39 39 ALA CB C 39 21.097 19.645 1.452 1
1 350 . 5 1 1 A 39 39 ALA C C 39 177.871 178.732 -0.861 1
1 351 . 5 1 1 A 40 40 GLY N N 40 105.600 110.242 -4.642 1
1 352 . 5 1 1 A 40 40 GLY H H 40 7.654 8.656 -1.002 1
1 353 . 5 1 1 A 40 40 GLY CA C 40 44.261 47.279 -3.018 1
1 354 . 5 1 1 A 40 40 GLY HA2 H 40 3.766 3.877 -0.111 1
1 355 . 5 1 1 A 40 40 GLY HA3 H 40 4.196 3.900 0.296 1
1 356 . 5 1 1 A 40 40 GLY C C 40 172.824 174.216 -1.392 1
1 357 . 5 1 1 A 41 41 ALA N N 41 122.720 118.085 4.635 1
1 358 . 5 1 1 A 41 41 ALA H H 41 8.364 7.573 0.791 1
1 359 . 5 1 1 A 41 41 ALA CA C 41 52.502 51.724 0.778 1
1 360 . 5 1 1 A 41 41 ALA HA H 41 4.396 4.828 -0.432 1
1 361 . 5 1 1 A 41 41 ALA CB C 41 19.295 21.812 -2.517 1
1 365 . 5 1 1 A 41 41 ALA C C 41 178.393 176.064 2.329 1
1 366 . 5 1 1 A 42 42 GLY N N 42 109.713 106.105 3.608 1
1 367 . 5 1 1 A 42 42 GLY H H 42 8.194 8.381 -0.187 1
1 368 . 5 1 1 A 42 42 GLY CA C 42 45.853 45.956 -0.103 1
1 369 . 5 1 1 A 42 42 GLY HA2 H 42 3.616 3.997 -0.381 1
1 370 . 5 1 1 A 42 42 GLY HA3 H 42 3.761 4.191 -0.430 1
1 371 . 5 1 1 A 42 42 GLY C C 42 172.178 172.056 0.122 1
1 372 . 5 1 1 A 43 43 GLY N N 43 105.505 109.832 -4.327 1
1 373 . 5 1 1 A 43 43 GLY H H 43 7.422 8.405 -0.983 1
1 374 . 5 1 1 A 43 43 GLY CA C 43 44.382 44.517 -0.135 1
1 375 . 5 1 1 A 43 43 GLY HA2 H 43 3.420 4.049 -0.629 1
1 376 . 5 1 1 A 43 43 GLY HA3 H 43 4.295 4.100 0.195 1
1 377 . 5 1 1 A 43 43 GLY C C 43 172.885 172.389 0.496 1
1 378 . 5 1 1 A 44 44 LEU N N 44 125.007 123.663 1.344 1
1 379 . 5 1 1 A 44 44 LEU H H 44 8.525 8.650 -0.125 1
1 380 . 5 1 1 A 44 44 LEU CA C 44 53.589 53.490 0.099 1
1 381 . 5 1 1 A 44 44 LEU HA H 44 5.357 4.979 0.378 1
1 382 . 5 1 1 A 44 44 LEU CB C 44 45.602 45.252 0.350 1
1 395 . 5 1 1 A 44 44 LEU C C 44 177.034 174.783 2.251 1
1 396 . 5 1 1 A 45 45 SER N N 45 117.626 120.103 -2.477 1
1 397 . 5 1 1 A 45 45 SER H H 45 9.010 8.986 0.024 1
1 398 . 5 1 1 A 45 45 SER CA C 45 57.065 56.501 0.564 1
1 399 . 5 1 1 A 45 45 SER HA H 45 4.660 5.293 -0.633 1
1 400 . 5 1 1 A 45 45 SER CB C 45 65.309 65.379 -0.070 1
1 403 . 5 1 1 A 45 45 SER C C 45 172.724 173.489 -0.765 1
1 404 . 5 1 1 A 46 46 ILE N N 46 125.604 125.150 0.454 1
1 405 . 5 1 1 A 46 46 ILE H H 46 8.584 8.872 -0.288 1
1 406 . 5 1 1 A 46 46 ILE CA C 46 59.369 60.465 -1.096 1
1 407 . 5 1 1 A 46 46 ILE HA H 46 5.182 5.243 -0.061 1
1 408 . 5 1 1 A 46 46 ILE CB C 46 40.879 41.893 -1.014 1
1 421 . 5 1 1 A 46 46 ILE C C 46 174.318 174.636 -0.318 1
1 422 . 5 1 1 A 47 47 ALA N N 47 128.948 128.501 0.447 1
1 423 . 5 1 1 A 47 47 ALA H H 47 8.762 8.705 0.057 1
1 424 . 5 1 1 A 47 47 ALA CA C 47 51.123 51.071 0.052 1
1 425 . 5 1 1 A 47 47 ALA HA H 47 4.724 5.171 -0.447 1
1 426 . 5 1 1 A 47 47 ALA CB C 47 22.575 21.460 1.115 1
1 430 . 5 1 1 A 47 47 ALA C C 47 175.131 175.517 -0.386 1
1 431 . 5 1 1 A 48 48 VAL N N 48 121.512 123.816 -2.304 1
1 432 . 5 1 1 A 48 48 VAL H H 48 8.640 9.005 -0.365 1
1 433 . 5 1 1 A 48 48 VAL CA C 48 61.770 62.004 -0.234 1
1 434 . 5 1 1 A 48 48 VAL HA H 48 4.749 4.545 0.204 1
1 435 . 5 1 1 A 48 48 VAL CB C 48 33.642 31.654 1.988 1
1 445 . 5 1 1 A 48 48 VAL C C 48 174.870 175.581 -0.711 1
1 446 . 5 1 1 A 49 49 GLU N N 49 126.757 126.306 0.451 1
1 447 . 5 1 1 A 49 49 GLU H H 49 8.898 8.922 -0.024 1
1 448 . 5 1 1 A 49 49 GLU CA C 49 54.457 54.833 -0.376 1
1 449 . 5 1 1 A 49 49 GLU HA H 49 5.003 5.194 -0.191 1
1 450 . 5 1 1 A 49 49 GLU CB C 49 33.209 32.613 0.596 1
1 456 . 5 1 1 A 49 49 GLU C C 49 175.282 175.931 -0.649 1
1 457 . 5 1 1 A 50 50 GLY N N 50 112.668 111.143 1.525 1
1 458 . 5 1 1 A 50 50 GLY H H 50 8.563 8.556 0.007 1
1 459 . 5 1 1 A 50 50 GLY CA C 50 45.534 44.499 1.035 1
1 460 . 5 1 1 A 50 50 GLY HA2 H 50 3.481 3.394 0.087 1
1 461 . 5 1 1 A 50 50 GLY HA3 H 50 3.836 3.968 -0.132 1
1 462 . 5 1 1 A 50 50 GLY C C 50 171.670 174.181 -2.511 1
1 463 . 5 1 1 A 51 51 PRO CA C 51 64.371 64.167 0.204 1
1 464 . 5 1 1 A 51 51 PRO HA H 51 4.309 4.307 0.002 1
1 465 . 5 1 1 A 51 51 PRO CB C 51 32.183 31.985 0.198 1
1 474 . 5 1 1 A 51 51 PRO C C 51 175.938 176.168 -0.230 1
1 475 . 5 1 1 A 52 52 SER N N 52 109.776 114.165 -4.389 1
1 476 . 5 1 1 A 52 52 SER H H 52 7.281 7.510 -0.229 1
1 477 . 5 1 1 A 52 52 SER CA C 52 56.747 57.486 -0.739 1
1 478 . 5 1 1 A 52 52 SER HA H 52 4.688 4.984 -0.296 1
1 479 . 5 1 1 A 52 52 SER CB C 52 65.901 67.064 -1.163 1
1 482 . 5 1 1 A 52 52 SER C C 52 172.748 172.746 0.002 1
1 483 . 5 1 1 A 53 53 LYS N N 53 121.441 122.782 -1.341 1
1 484 . 5 1 1 A 53 53 LYS H H 53 8.607 8.368 0.239 1
1 485 . 5 1 1 A 53 53 LYS CA C 53 56.641 56.853 -0.212 1
1 486 . 5 1 1 A 53 53 LYS HA H 53 4.391 4.428 -0.037 1
1 487 . 5 1 1 A 53 53 LYS CB C 53 32.323 33.030 -0.707 1
1 499 . 5 1 1 A 53 53 LYS C C 53 175.721 175.644 0.077 1
1 500 . 5 1 1 A 54 54 ALA N N 54 129.914 128.275 1.639 1
1 501 . 5 1 1 A 54 54 ALA H H 54 8.941 8.732 0.209 1
1 502 . 5 1 1 A 54 54 ALA CA C 54 50.924 50.492 0.432 1
1 503 . 5 1 1 A 54 54 ALA HA H 54 4.962 5.293 -0.331 1
1 504 . 5 1 1 A 54 54 ALA CB C 54 20.004 22.490 -2.486 1
1 508 . 5 1 1 A 54 54 ALA C C 54 176.618 175.330 1.288 1
1 509 . 5 1 1 A 55 55 GLU N N 55 122.179 122.518 -0.339 1
1 510 . 5 1 1 A 55 55 GLU H H 55 8.153 9.185 -1.032 1
1 511 . 5 1 1 A 55 55 GLU CA C 55 55.689 56.546 -0.857 1
1 512 . 5 1 1 A 55 55 GLU HA H 55 4.569 4.561 0.008 1
1 513 . 5 1 1 A 55 55 GLU CB C 55 31.003 30.545 0.458 1
1 519 . 5 1 1 A 55 55 GLU C C 55 176.867 175.617 1.250 1
1 520 . 5 1 1 A 56 56 ILE N N 56 127.733 126.275 1.458 1
1 521 . 5 1 1 A 56 56 ILE H H 56 8.948 8.632 0.316 1
1 522 . 5 1 1 A 56 56 ILE CA C 56 61.345 60.384 0.961 1
1 523 . 5 1 1 A 56 56 ILE HA H 56 4.744 5.144 -0.400 1
1 524 . 5 1 1 A 56 56 ILE CB C 56 40.978 42.004 -1.026 1
1 537 . 5 1 1 A 56 56 ILE C C 56 175.675 174.817 0.858 1
1 538 . 5 1 1 A 57 57 THR N N 57 124.172 123.663 0.509 1
1 539 . 5 1 1 A 57 57 THR H H 57 9.410 9.325 0.085 1
1 540 . 5 1 1 A 57 57 THR CA C 57 61.999 61.607 0.392 1
1 541 . 5 1 1 A 57 57 THR HA H 57 4.504 4.864 -0.360 1
1 542 . 5 1 1 A 57 57 THR CB C 57 70.660 70.543 0.117 1
1 548 . 5 1 1 A 57 57 THR C C 57 172.131 172.776 -0.645 1
1 549 . 5 1 1 A 58 58 PHE N N 58 126.429 128.635 -2.206 1
1 550 . 5 1 1 A 58 58 PHE H H 58 8.796 9.166 -0.370 1
1 551 . 5 1 1 A 58 58 PHE CA C 58 56.680 56.642 0.038 1
1 552 . 5 1 1 A 58 58 PHE HA H 58 4.981 4.975 0.006 1
1 553 . 5 1 1 A 58 58 PHE CB C 58 42.400 40.997 1.403 1
1 566 . 5 1 1 A 58 58 PHE C C 58 173.719 173.590 0.129 1
1 567 . 5 1 1 A 59 59 ASP N N 59 126.210 125.335 0.875 1
1 568 . 5 1 1 A 59 59 ASP H H 59 8.707 8.171 0.536 1
1 569 . 5 1 1 A 59 59 ASP CA C 59 52.784 52.628 0.156 1
1 570 . 5 1 1 A 59 59 ASP HA H 59 4.677 5.180 -0.503 1
1 571 . 5 1 1 A 59 59 ASP CB C 59 42.738 43.545 -0.807 1
1 574 . 5 1 1 A 59 59 ASP C C 59 173.710 174.863 -1.153 1
1 575 . 5 1 1 A 60 60 ASP N N 60 123.675 121.153 2.522 1
1 576 . 5 1 1 A 60 60 ASP H H 60 8.490 8.615 -0.125 1
1 577 . 5 1 1 A 60 60 ASP CA C 60 53.871 53.148 0.723 1
1 578 . 5 1 1 A 60 60 ASP HA H 60 4.447 5.226 -0.779 1
1 579 . 5 1 1 A 60 60 ASP CB C 60 41.108 42.417 -1.309 1
1 582 . 5 1 1 A 60 60 ASP C C 60 176.691 175.418 1.273 1
1 583 . 5 1 1 A 61 61 HIS N N 61 124.385 120.966 3.419 1
1 584 . 5 1 1 A 61 61 HIS H H 61 8.122 9.020 -0.898 1
1 585 . 5 1 1 A 61 61 HIS CA C 61 55.608 54.914 0.694 1
1 586 . 5 1 1 A 61 61 HIS HA H 61 4.769 4.936 -0.167 1
1 587 . 5 1 1 A 61 61 HIS CB C 61 28.607 30.083 -1.476 1
1 594 . 5 1 1 A 61 61 HIS C C 61 175.701 175.077 0.624 1
1 595 . 5 1 1 A 62 62 LYS N N 62 115.195 126.583 -11.388 1
1 596 . 5 1 1 A 62 62 LYS H H 62 9.178 8.886 0.292 1
1 597 . 5 1 1 A 62 62 LYS CA C 62 57.585 57.640 -0.055 1
1 598 . 5 1 1 A 62 62 LYS HA H 62 4.028 4.461 -0.433 1
1 599 . 5 1 1 A 62 62 LYS CB C 62 29.373 35.156 -5.783 1
1 611 . 5 1 1 A 63 63 ASN N N 63 116.167 114.701 1.466 1
1 612 . 5 1 1 A 63 63 ASN H H 63 7.900 8.289 -0.389 1
1 613 . 5 1 1 A 63 63 ASN CA C 63 52.056 52.835 -0.779 1
1 614 . 5 1 1 A 63 63 ASN HA H 63 4.835 4.881 -0.046 1
1 615 . 5 1 1 A 63 63 ASN CB C 63 38.468 39.854 -1.386 1
1 621 . 5 1 1 A 63 63 ASN C C 63 176.634 175.518 1.116 1
1 622 . 5 1 1 A 64 64 GLY N N 64 108.877 106.770 2.107 1
1 623 . 5 1 1 A 64 64 GLY H H 64 8.718 7.769 0.949 1
1 624 . 5 1 1 A 64 64 GLY CA C 64 45.534 45.785 -0.251 1
1 625 . 5 1 1 A 64 64 GLY HA2 H 64 3.619 4.036 -0.417 1
1 626 . 5 1 1 A 64 64 GLY HA3 H 64 4.247 4.046 0.201 1
1 627 . 5 1 1 A 65 65 SER N N 65 115.229 116.548 -1.319 1
1 628 . 5 1 1 A 65 65 SER H H 65 7.962 8.156 -0.194 1
1 629 . 5 1 1 A 65 65 SER CA C 65 57.108 56.689 0.419 1
1 630 . 5 1 1 A 65 65 SER HA H 65 5.531 4.628 0.903 1
1 631 . 5 1 1 A 65 65 SER CB C 65 67.290 65.062 2.228 1
1 634 . 5 1 1 A 66 66 CYS N N 66 118.007 123.149 -5.142 1
1 635 . 5 1 1 A 66 66 CYS H H 66 8.807 8.724 0.083 1
1 636 . 5 1 1 A 66 66 CYS CA C 66 56.476 61.331 -4.855 1
1 637 . 5 1 1 A 66 66 CYS HA H 66 4.672 4.193 0.479 1
1 638 . 5 1 1 A 66 66 CYS CB C 66 31.077 27.641 3.436 1
1 641 . 5 1 1 A 67 67 GLY N N 67 112.448 106.696 5.752 1
1 642 . 5 1 1 A 67 67 GLY H H 67 8.679 7.246 1.433 1
1 643 . 5 1 1 A 67 67 GLY CA C 67 45.004 44.929 0.075 1
1 644 . 5 1 1 A 67 67 GLY HA2 H 67 3.629 3.802 -0.173 1
1 645 . 5 1 1 A 67 67 GLY HA3 H 67 4.645 3.897 0.748 1
1 646 . 5 1 1 A 67 67 GLY C C 67 171.754 171.840 -0.086 1
1 647 . 5 1 1 A 68 68 VAL N N 68 123.840 122.290 1.550 1
1 648 . 5 1 1 A 68 68 VAL H H 68 8.486 8.078 0.408 1
1 649 . 5 1 1 A 68 68 VAL CA C 68 60.143 61.709 -1.566 1
1 650 . 5 1 1 A 68 68 VAL HA H 68 4.579 4.665 -0.086 1
1 651 . 5 1 1 A 68 68 VAL CB C 68 33.946 32.294 1.652 1
1 661 . 5 1 1 A 68 68 VAL C C 68 174.396 174.444 -0.048 1
1 662 . 5 1 1 A 69 69 SER N N 69 119.414 121.963 -2.549 1
1 663 . 5 1 1 A 69 69 SER H H 69 8.450 8.629 -0.179 1
1 664 . 5 1 1 A 69 69 SER CA C 69 56.169 57.170 -1.001 1
1 665 . 5 1 1 A 69 69 SER HA H 69 5.442 5.282 0.160 1
1 666 . 5 1 1 A 69 69 SER CB C 69 65.640 65.995 -0.355 1
1 669 . 5 1 1 A 69 69 SER C C 69 173.189 172.583 0.606 1
1 670 . 5 1 1 A 70 70 TYR N N 70 119.504 119.011 0.493 1
1 671 . 5 1 1 A 70 70 TYR H H 70 8.771 8.756 0.015 1
1 672 . 5 1 1 A 70 70 TYR CA C 70 54.962 56.242 -1.280 1
1 673 . 5 1 1 A 70 70 TYR HA H 70 5.922 5.614 0.308 1
1 674 . 5 1 1 A 70 70 TYR CB C 70 42.710 41.491 1.219 1
1 685 . 5 1 1 A 70 70 TYR C C 70 173.056 172.669 0.387 1
1 686 . 5 1 1 A 71 71 ILE N N 71 117.727 122.689 -4.962 1
1 687 . 5 1 1 A 71 71 ILE H H 71 8.196 8.741 -0.545 1
1 688 . 5 1 1 A 71 71 ILE CA C 71 60.132 59.829 0.303 1
1 689 . 5 1 1 A 71 71 ILE HA H 71 4.161 4.781 -0.620 1
1 690 . 5 1 1 A 71 71 ILE CB C 71 40.790 41.167 -0.377 1
1 703 . 5 1 1 A 71 71 ILE C C 71 175.114 174.538 0.576 1
1 704 . 5 1 1 A 72 72 ALA N N 72 133.145 129.720 3.425 1
1 705 . 5 1 1 A 72 72 ALA H H 72 9.466 8.461 1.005 1
1 706 . 5 1 1 A 72 72 ALA CA C 72 50.261 50.396 -0.135 1
1 707 . 5 1 1 A 72 72 ALA HA H 72 4.567 4.623 -0.056 1
1 708 . 5 1 1 A 72 72 ALA CB C 72 19.699 20.218 -0.519 1
1 712 . 5 1 1 A 72 72 ALA C C 72 177.170 177.928 -0.758 1
1 713 . 5 1 1 A 73 73 GLN N N 73 120.464 123.910 -3.446 1
1 714 . 5 1 1 A 73 73 GLN H H 73 8.649 8.659 -0.010 1
1 715 . 5 1 1 A 73 73 GLN CA C 73 57.614 59.028 -1.414 1
1 716 . 5 1 1 A 73 73 GLN HA H 73 4.083 4.110 -0.027 1
1 717 . 5 1 1 A 73 73 GLN CB C 73 29.667 29.087 0.580 1
1 726 . 5 1 1 A 73 73 GLN C C 73 175.643 176.449 -0.806 1
1 727 . 5 1 1 A 74 74 GLU N N 74 114.557 117.780 -3.223 1
1 728 . 5 1 1 A 74 74 GLU H H 74 7.102 8.057 -0.955 1
1 729 . 5 1 1 A 74 74 GLU CA C 74 52.242 53.254 -1.012 1
1 730 . 5 1 1 A 74 74 GLU HA H 74 4.988 4.687 0.301 1
1 731 . 5 1 1 A 74 74 GLU CB C 74 31.732 30.376 1.356 1
1 737 . 5 1 1 A 74 74 GLU C C 74 174.462 174.154 0.308 1
1 738 . 5 1 1 A 75 75 PRO CA C 75 63.007 63.271 -0.264 1
1 739 . 5 1 1 A 75 75 PRO HA H 75 4.335 4.671 -0.336 1
1 740 . 5 1 1 A 75 75 PRO CB C 75 32.866 32.868 -0.002 1
1 749 . 5 1 1 A 75 75 PRO C C 75 174.572 175.928 -1.356 1
1 750 . 5 1 1 A 76 76 GLY N N 76 107.234 107.836 -0.602 1
1 751 . 5 1 1 A 76 76 GLY H H 76 9.012 8.568 0.444 1
1 752 . 5 1 1 A 76 76 GLY CA C 76 44.615 44.830 -0.215 1
1 753 . 5 1 1 A 76 76 GLY HA2 H 76 3.850 4.184 -0.334 1
1 754 . 5 1 1 A 76 76 GLY HA3 H 76 4.201 4.201 0.000 1
1 755 . 5 1 1 A 76 76 GLY C C 76 171.133 171.987 -0.854 1
1 756 . 5 1 1 A 77 77 ASN N N 77 119.292 118.972 0.320 1
1 757 . 5 1 1 A 77 77 ASN H H 77 8.549 8.452 0.097 1
1 758 . 5 1 1 A 77 77 ASN CA C 77 52.364 53.071 -0.707 1
1 759 . 5 1 1 A 77 77 ASN HA H 77 5.369 5.157 0.212 1
1 760 . 5 1 1 A 77 77 ASN CB C 77 39.176 39.166 0.010 1
1 766 . 5 1 1 A 77 77 ASN C C 77 174.470 173.878 0.592 1
1 767 . 5 1 1 A 78 78 TYR N N 78 123.809 123.619 0.190 1
1 768 . 5 1 1 A 78 78 TYR H H 78 9.094 8.955 0.139 1
1 769 . 5 1 1 A 78 78 TYR CA C 78 56.818 57.020 -0.202 1
1 770 . 5 1 1 A 78 78 TYR HA H 78 4.859 5.055 -0.196 1
1 771 . 5 1 1 A 78 78 TYR CB C 78 39.860 39.678 0.182 1
1 782 . 5 1 1 A 78 78 TYR C C 78 174.184 174.848 -0.664 1
1 783 . 5 1 1 A 79 79 GLU N N 79 122.250 125.483 -3.233 1
1 784 . 5 1 1 A 79 79 GLU H H 79 9.259 9.023 0.236 1
1 785 . 5 1 1 A 79 79 GLU CA C 79 54.692 56.162 -1.470 1
1 786 . 5 1 1 A 79 79 GLU HA H 79 5.313 5.063 0.250 1
1 787 . 5 1 1 A 79 79 GLU CB C 79 32.159 30.519 1.640 1
1 793 . 5 1 1 A 79 79 GLU C C 79 176.631 175.426 1.205 1
1 794 . 5 1 1 A 80 80 VAL N N 80 131.418 128.558 2.860 1
1 795 . 5 1 1 A 80 80 VAL H H 80 9.761 8.802 0.959 1
1 796 . 5 1 1 A 80 80 VAL CA C 80 61.522 61.419 0.103 1
1 797 . 5 1 1 A 80 80 VAL HA H 80 4.801 4.519 0.282 1
1 798 . 5 1 1 A 80 80 VAL CB C 80 32.818 32.310 0.508 1
1 808 . 5 1 1 A 80 80 VAL C C 80 175.573 175.293 0.280 1
1 809 . 5 1 1 A 81 81 SER N N 81 123.238 121.057 2.181 1
1 810 . 5 1 1 A 81 81 SER H H 81 9.457 9.325 0.132 1
1 811 . 5 1 1 A 81 81 SER CA C 81 57.589 56.724 0.865 1
1 812 . 5 1 1 A 81 81 SER HA H 81 5.167 5.179 -0.012 1
1 813 . 5 1 1 A 81 81 SER CB C 81 64.882 64.426 0.456 1
1 816 . 5 1 1 A 81 81 SER C C 81 173.514 173.658 -0.144 1
1 817 . 5 1 1 A 82 82 ILE N N 82 126.261 127.130 -0.869 1
1 818 . 5 1 1 A 82 82 ILE H H 82 9.642 9.208 0.434 1
1 819 . 5 1 1 A 82 82 ILE CA C 82 60.992 60.573 0.419 1
1 820 . 5 1 1 A 82 82 ILE HA H 82 4.667 5.121 -0.454 1
1 821 . 5 1 1 A 82 82 ILE CB C 82 40.692 40.420 0.272 1
1 834 . 5 1 1 A 82 82 ILE C C 82 173.498 175.080 -1.582 1
1 835 . 5 1 1 A 83 83 LYS N N 83 123.477 127.179 -3.702 1
1 836 . 5 1 1 A 83 83 LYS H H 83 8.720 8.934 -0.214 1
1 837 . 5 1 1 A 83 83 LYS CA C 83 53.730 54.817 -1.087 1
1 838 . 5 1 1 A 83 83 LYS HA H 83 5.139 5.015 0.124 1
1 839 . 5 1 1 A 83 83 LYS CB C 83 36.351 34.854 1.497 1
1 851 . 5 1 1 A 83 83 LYS C C 83 174.914 174.178 0.736 1
1 852 . 5 1 1 A 84 84 PHE N N 84 122.298 126.151 -3.853 1
1 853 . 5 1 1 A 84 84 PHE H H 84 9.154 9.178 -0.024 1
1 854 . 5 1 1 A 84 84 PHE CA C 84 56.057 57.640 -1.583 1
1 855 . 5 1 1 A 84 84 PHE HA H 84 5.238 4.819 0.419 1
1 856 . 5 1 1 A 84 84 PHE CB C 84 43.136 41.283 1.853 1
1 867 . 5 1 1 A 84 84 PHE C C 84 175.864 175.172 0.692 1
1 868 . 5 1 1 A 85 85 ASN N N 85 127.936 125.104 2.832 1
1 869 . 5 1 1 A 85 85 ASN H H 85 9.040 9.126 -0.086 1
1 870 . 5 1 1 A 85 85 ASN CA C 85 54.448 54.461 -0.013 1
1 871 . 5 1 1 A 85 85 ASN HA H 85 4.206 4.194 0.012 1
1 872 . 5 1 1 A 85 85 ASN CB C 85 36.554 36.814 -0.260 1
1 878 . 5 1 1 A 85 85 ASN C C 85 174.620 174.141 0.479 1
1 879 . 5 1 1 A 86 86 ASP N N 86 108.763 110.080 -1.317 1
1 880 . 5 1 1 A 86 86 ASP H H 86 8.828 8.407 0.421 1
1 881 . 5 1 1 A 86 86 ASP CA C 86 56.405 55.622 0.783 1
1 882 . 5 1 1 A 86 86 ASP HA H 86 3.946 4.172 -0.226 1
1 883 . 5 1 1 A 86 86 ASP CB C 86 40.367 39.137 1.230 1
1 886 . 5 1 1 A 86 86 ASP C C 86 174.169 174.573 -0.404 1
1 887 . 5 1 1 A 87 87 GLU N N 87 119.289 117.165 2.124 1
1 888 . 5 1 1 A 87 87 GLU H H 87 7.510 7.621 -0.111 1
1 889 . 5 1 1 A 87 87 GLU CA C 87 54.483 54.732 -0.249 1
1 890 . 5 1 1 A 87 87 GLU HA H 87 4.743 4.885 -0.142 1
1 891 . 5 1 1 A 87 87 GLU CB C 87 32.763 33.625 -0.862 1
1 897 . 5 1 1 A 87 87 GLU C C 87 175.825 175.342 0.483 1
1 898 . 5 1 1 A 88 88 HIS N N 88 123.465 120.618 2.847 1
1 899 . 5 1 1 A 88 88 HIS H H 88 8.822 9.297 -0.475 1
1 900 . 5 1 1 A 88 88 HIS CA C 88 59.117 55.528 3.589 1
1 901 . 5 1 1 A 88 88 HIS HA H 88 4.511 5.002 -0.491 1
1 902 . 5 1 1 A 88 88 HIS CB C 88 32.254 30.309 1.945 1
1 909 . 5 1 1 A 88 88 HIS C C 88 177.352 175.552 1.800 1
1 910 . 5 1 1 A 89 89 ILE N N 89 117.945 122.873 -4.928 1
1 911 . 5 1 1 A 89 89 ILE H H 89 8.131 8.533 -0.402 1
1 912 . 5 1 1 A 89 89 ILE CA C 89 61.121 59.997 1.124 1
1 913 . 5 1 1 A 89 89 ILE HA H 89 4.519 4.465 0.054 1
1 914 . 5 1 1 A 89 89 ILE CB C 89 35.538 37.690 -2.152 1
1 927 . 5 1 1 A 89 89 ILE C C 89 173.831 176.834 -3.003 1
1 928 . 5 1 1 A 90 90 PRO CA C 90 66.545 64.298 2.247 1
1 929 . 5 1 1 A 90 90 PRO HA H 90 4.223 4.545 -0.322 1
1 930 . 5 1 1 A 90 90 PRO CB C 90 31.693 31.574 0.119 1
1 939 . 5 1 1 A 90 90 PRO C C 90 177.046 176.256 0.790 1
1 940 . 5 1 1 A 91 91 GLU N N 91 113.835 116.996 -3.161 1
1 941 . 5 1 1 A 91 91 GLU H H 91 8.223 8.252 -0.029 1
1 942 . 5 1 1 A 91 91 GLU CA C 91 57.913 56.158 1.755 1
1 943 . 5 1 1 A 91 91 GLU HA H 91 3.733 4.372 -0.639 1
1 944 . 5 1 1 A 91 91 GLU CB C 91 27.681 31.398 -3.717 1
1 950 . 5 1 1 A 91 91 GLU C C 91 173.469 175.486 -2.017 1
1 951 . 5 1 1 A 92 92 SER N N 92 111.462 113.830 -2.368 1
1 952 . 5 1 1 A 92 92 SER H H 92 7.489 7.603 -0.114 1
1 953 . 5 1 1 A 92 92 SER CA C 92 54.873 55.509 -0.636 1
1 954 . 5 1 1 A 92 92 SER HA H 92 4.427 4.682 -0.255 1
1 955 . 5 1 1 A 92 92 SER CB C 92 63.317 64.906 -1.589 1
1 958 . 5 1 1 A 92 92 SER C C 92 174.195 172.491 1.704 1
1 959 . 5 1 1 A 93 93 PRO CA C 93 62.333 62.596 -0.263 1
1 960 . 5 1 1 A 93 93 PRO HA H 93 5.483 4.755 0.728 1
1 961 . 5 1 1 A 93 93 PRO CB C 93 34.386 32.406 1.980 1
1 970 . 5 1 1 A 93 93 PRO C C 93 176.059 174.979 1.080 1
1 971 . 5 1 1 A 94 94 TYR N N 94 122.179 119.439 2.740 1
1 972 . 5 1 1 A 94 94 TYR H H 94 9.372 8.987 0.385 1
1 973 . 5 1 1 A 94 94 TYR CA C 94 57.101 57.419 -0.318 1
1 974 . 5 1 1 A 94 94 TYR HA H 94 4.531 5.033 -0.502 1
1 975 . 5 1 1 A 94 94 TYR CB C 94 40.027 41.360 -1.333 1
1 986 . 5 1 1 A 94 94 TYR C C 94 175.281 174.449 0.832 1
1 987 . 5 1 1 A 95 95 LEU N N 95 126.428 124.315 2.113 1
1 988 . 5 1 1 A 95 95 LEU H H 95 8.807 8.668 0.139 1
1 989 . 5 1 1 A 95 95 LEU CA C 95 54.200 53.728 0.472 1
1 990 . 5 1 1 A 95 95 LEU HA H 95 4.981 5.139 -0.158 1
1 991 . 5 1 1 A 95 95 LEU CB C 95 41.894 44.613 -2.719 1
1 1004 . 5 1 1 A 95 95 LEU C C 95 176.295 174.492 1.803 1
1 1005 . 5 1 1 A 96 96 VAL N N 96 130.944 127.665 3.279 1
1 1006 . 5 1 1 A 96 96 VAL H H 96 9.629 8.726 0.903 1
1 1007 . 5 1 1 A 96 96 VAL CA C 96 59.813 59.456 0.357 1
1 1008 . 5 1 1 A 96 96 VAL HA H 96 4.469 4.605 -0.136 1
1 1009 . 5 1 1 A 96 96 VAL CB C 96 35.052 32.938 2.114 1
1 1019 . 5 1 1 A 96 96 VAL C C 96 173.734 174.857 -1.123 1
1 1020 . 5 1 1 A 97 97 PRO CA C 97 62.379 62.382 -0.003 1
1 1021 . 5 1 1 A 97 97 PRO HA H 97 5.016 4.790 0.226 1
1 1022 . 5 1 1 A 97 97 PRO CB C 97 32.163 29.832 2.331 1
1 1031 . 5 1 1 A 97 97 PRO C C 97 175.950 176.330 -0.380 1
1 1032 . 5 1 1 A 98 98 VAL N N 98 125.524 123.780 1.744 1
1 1033 . 5 1 1 A 98 98 VAL H H 98 9.196 8.693 0.503 1
1 1034 . 5 1 1 A 98 98 VAL CA C 98 61.345 62.962 -1.617 1
1 1035 . 5 1 1 A 98 98 VAL HA H 98 4.411 4.406 0.005 1
1 1036 . 5 1 1 A 98 98 VAL CB C 98 32.037 32.298 -0.261 1
1 1046 . 5 1 1 A 98 98 VAL C C 98 176.996 175.978 1.018 1
1 1047 . 5 1 1 A 99 99 ILE N N 99 124.035 121.179 2.856 1
1 1048 . 5 1 1 A 99 99 ILE H H 99 8.392 8.510 -0.118 1
1 1049 . 5 1 1 A 99 99 ILE CA C 99 59.802 58.977 0.825 1
1 1050 . 5 1 1 A 99 99 ILE HA H 99 4.651 4.954 -0.303 1
1 1051 . 5 1 1 A 99 99 ILE CB C 99 40.609 42.219 -1.610 1
1 1064 . 5 1 1 A 99 99 ILE C C 99 175.482 174.477 1.005 1
1 1065 . 5 1 1 A 100 100 ALA N N 100 125.837 125.039 0.798 1
1 1066 . 5 1 1 A 100 100 ALA H H 100 8.714 8.510 0.204 1
1 1067 . 5 1 1 A 100 100 ALA CA C 100 50.416 50.171 0.245 1
1 1068 . 5 1 1 A 100 100 ALA HA H 100 4.603 4.477 0.126 1
1 1069 . 5 1 1 A 100 100 ALA CB C 100 18.088 19.694 -1.606 1
1 1073 . 5 1 1 A 100 100 ALA C C 100 175.264 176.331 -1.067 1
1 1074 . 5 1 1 A 101 101 PRO CA C 101 63.104 62.871 0.233 1
1 1075 . 5 1 1 A 101 101 PRO HA H 101 4.483 4.563 -0.080 1
1 1076 . 5 1 1 A 101 101 PRO CB C 101 32.222 31.741 0.481 1
1 1085 . 5 1 1 A 101 101 PRO C C 101 176.976 176.634 0.342 1
1 1086 . 5 1 1 A 102 102 SER N N 102 116.530 118.421 -1.891 1
1 1087 . 5 1 1 A 102 102 SER H H 102 8.527 8.530 -0.003 1
1 1088 . 5 1 1 A 102 102 SER CA C 102 58.283 57.525 0.758 1
1 1089 . 5 1 1 A 102 102 SER HA H 102 4.433 4.585 -0.152 1
1 1090 . 5 1 1 A 102 102 SER CB C 102 64.078 61.707 2.371 1
1 1093 . 5 1 1 A 102 102 SER C C 102 174.510 173.033 1.477 1
1 1094 . 5 1 1 A 103 103 ASP N N 103 123.018 127.819 -4.801 1
1 1095 . 5 1 1 A 103 103 ASP H H 103 8.450 8.725 -0.275 1
1 1096 . 5 1 1 A 103 103 ASP CA C 103 54.431 53.613 0.818 1
1 1097 . 5 1 1 A 103 103 ASP HA H 103 4.654 4.644 0.010 1
1 1098 . 5 1 1 A 103 103 ASP CB C 103 41.226 42.394 -1.168 1
1 1101 . 5 1 1 A 103 103 ASP C C 103 175.889 175.225 0.664 1
1 1102 . 5 1 1 A 104 104 ASP N N 104 120.896 122.765 -1.869 1
1 1103 . 5 1 1 A 104 104 ASP H H 104 8.264 8.679 -0.415 1
1 1104 . 5 1 1 A 104 104 ASP CA C 104 54.283 52.941 1.342 1
1 1105 . 5 1 1 A 104 104 ASP HA H 104 4.601 4.960 -0.359 1
1 1106 . 5 1 1 A 104 104 ASP CB C 104 41.183 41.591 -0.408 1
1 1109 . 5 1 1 A 104 104 ASP C C 104 175.065 175.082 -0.017 1
1 1 . 6 1 1 A 7 7 GLY N N 7 110.767 112.309 -1.542 1
1 2 . 6 1 1 A 7 7 GLY H H 7 8.421 8.681 -0.260 1
1 3 . 6 1 1 A 7 7 GLY CA C 7 45.393 46.611 -1.218 1
1 4 . 6 1 1 A 7 7 GLY HA2 H 7 4.003 4.018 -0.015 1
1 5 . 6 1 1 A 7 7 GLY HA3 H 7 4.003 4.026 -0.023 1
1 6 . 6 1 1 A 7 7 GLY C C 7 174.160 173.048 1.112 1
1 7 . 6 1 1 A 8 8 GLU N N 8 120.419 125.218 -4.799 1
1 8 . 6 1 1 A 8 8 GLU H H 8 8.320 8.708 -0.388 1
1 9 . 6 1 1 A 8 8 GLU CA C 8 56.499 55.194 1.305 1
1 10 . 6 1 1 A 8 8 GLU HA H 8 4.390 4.714 -0.324 1
1 11 . 6 1 1 A 8 8 GLU CB C 8 30.615 30.323 0.292 1
1 17 . 6 1 1 A 8 8 GLU C C 8 176.858 176.638 0.220 1
1 18 . 6 1 1 A 9 9 GLY N N 9 109.731 115.731 -6.000 1
1 19 . 6 1 1 A 9 9 GLY H H 9 8.522 8.996 -0.474 1
1 20 . 6 1 1 A 9 9 GLY CA C 9 45.110 47.279 -2.169 1
1 21 . 6 1 1 A 9 9 GLY HA2 H 9 4.090 3.850 0.240 1
1 22 . 6 1 1 A 9 9 GLY HA3 H 9 3.931 3.979 -0.048 1
1 23 . 6 1 1 A 9 9 GLY C C 9 173.933 174.122 -0.189 1
1 24 . 6 1 1 A 10 10 GLY N N 10 107.139 110.603 -3.464 1
1 25 . 6 1 1 A 10 10 GLY H H 10 8.393 7.545 0.848 1
1 26 . 6 1 1 A 10 10 GLY CA C 10 45.039 46.457 -1.418 1
1 27 . 6 1 1 A 10 10 GLY HA2 H 10 3.868 4.454 -0.586 1
1 28 . 6 1 1 A 10 10 GLY HA3 H 10 4.528 4.491 0.037 1
1 29 . 6 1 1 A 10 10 GLY C C 10 174.561 173.707 0.854 1
1 30 . 6 1 1 A 11 11 ALA N N 11 122.466 127.278 -4.812 1
1 31 . 6 1 1 A 11 11 ALA H H 11 8.875 8.798 0.077 1
1 32 . 6 1 1 A 11 11 ALA CA C 11 55.391 54.367 1.024 1
1 33 . 6 1 1 A 11 11 ALA HA H 11 3.803 3.906 -0.103 1
1 34 . 6 1 1 A 11 11 ALA CB C 11 19.583 19.743 -0.160 1
1 38 . 6 1 1 A 11 11 ALA C C 11 178.242 179.271 -1.029 1
1 39 . 6 1 1 A 12 12 HIS N N 12 111.513 115.415 -3.902 1
1 40 . 6 1 1 A 12 12 HIS H H 12 8.290 8.607 -0.317 1
1 41 . 6 1 1 A 12 12 HIS CA C 12 57.847 59.317 -1.470 1
1 42 . 6 1 1 A 12 12 HIS HA H 12 4.443 4.380 0.063 1
1 43 . 6 1 1 A 12 12 HIS CB C 12 29.321 28.838 0.483 1
1 50 . 6 1 1 A 12 12 HIS C C 12 176.189 177.524 -1.335 1
1 51 . 6 1 1 A 13 13 LYS N N 13 118.111 119.906 -1.795 1
1 52 . 6 1 1 A 13 13 LYS H H 13 7.558 7.105 0.453 1
1 53 . 6 1 1 A 13 13 LYS CA C 13 54.660 59.011 -4.351 1
1 54 . 6 1 1 A 13 13 LYS HA H 13 4.202 3.844 0.358 1
1 55 . 6 1 1 A 13 13 LYS CB C 13 32.655 32.022 0.633 1
1 67 . 6 1 1 A 13 13 LYS C C 13 176.721 177.614 -0.893 1
1 68 . 6 1 1 A 14 14 VAL N N 14 123.625 119.255 4.370 1
1 69 . 6 1 1 A 14 14 VAL H H 14 7.499 7.199 0.300 1
1 70 . 6 1 1 A 14 14 VAL CA C 14 63.247 63.099 0.148 1
1 71 . 6 1 1 A 14 14 VAL HA H 14 3.907 3.779 0.128 1
1 72 . 6 1 1 A 14 14 VAL CB C 14 31.649 31.399 0.250 1
1 82 . 6 1 1 A 15 15 ARG H H 15 8.106 8.631 -0.525 1
1 83 . 6 1 1 A 15 15 ARG CA C 15 53.791 53.938 -0.147 1
1 84 . 6 1 1 A 15 15 ARG HA H 15 5.021 5.219 -0.198 1
1 85 . 6 1 1 A 15 15 ARG CB C 15 34.207 33.979 0.228 1
1 94 . 6 1 1 A 16 16 ALA N N 16 123.795 126.496 -2.701 1
1 95 . 6 1 1 A 16 16 ALA H H 16 8.875 8.995 -0.120 1
1 96 . 6 1 1 A 16 16 ALA CA C 16 51.092 50.937 0.155 1
1 97 . 6 1 1 A 16 16 ALA HA H 16 5.569 5.381 0.188 1
1 98 . 6 1 1 A 16 16 ALA CB C 16 23.845 23.874 -0.029 1
1 102 . 6 1 1 A 17 17 GLY N N 17 106.516 105.516 1.000 1
1 103 . 6 1 1 A 17 17 GLY H H 17 8.616 8.369 0.247 1
1 104 . 6 1 1 A 17 17 GLY CA C 17 46.205 45.857 0.348 1
1 105 . 6 1 1 A 17 17 GLY HA2 H 17 4.289 4.170 0.119 1
1 106 . 6 1 1 A 17 17 GLY HA3 H 17 4.226 4.242 -0.016 1
1 107 . 6 1 1 A 18 18 GLY N N 18 111.804 111.460 0.344 1
1 108 . 6 1 1 A 18 18 GLY H H 18 8.816 8.482 0.334 1
1 109 . 6 1 1 A 18 18 GLY CA C 18 44.595 44.500 0.095 1
1 110 . 6 1 1 A 18 18 GLY HA2 H 18 4.105 4.404 -0.299 1
1 111 . 6 1 1 A 18 18 GLY HA3 H 18 4.105 4.404 -0.299 1
1 112 . 6 1 1 A 19 19 PRO CA C 19 65.526 63.949 1.577 1
1 113 . 6 1 1 A 19 19 PRO HA H 19 4.335 4.503 -0.168 1
1 114 . 6 1 1 A 19 19 PRO CB C 19 31.790 31.732 0.058 1
1 123 . 6 1 1 A 19 19 PRO C C 19 179.208 177.157 2.051 1
1 124 . 6 1 1 A 20 20 GLY N N 20 103.234 106.396 -3.162 1
1 125 . 6 1 1 A 20 20 GLY H H 20 9.282 8.320 0.962 1
1 126 . 6 1 1 A 20 20 GLY CA C 20 46.361 46.211 0.150 1
1 127 . 6 1 1 A 20 20 GLY HA2 H 20 3.214 3.978 -0.764 1
1 128 . 6 1 1 A 20 20 GLY HA3 H 20 4.184 4.053 0.131 1
1 129 . 6 1 1 A 20 20 GLY C C 20 172.711 175.572 -2.861 1
1 130 . 6 1 1 A 21 21 LEU N N 21 116.307 122.825 -6.518 1
1 131 . 6 1 1 A 21 21 LEU H H 21 7.559 8.243 -0.684 1
1 132 . 6 1 1 A 21 21 LEU CA C 21 53.980 57.517 -3.537 1
1 133 . 6 1 1 A 21 21 LEU HA H 21 4.166 3.990 0.176 1
1 134 . 6 1 1 A 21 21 LEU CB C 21 40.135 41.177 -1.042 1
1 147 . 6 1 1 A 21 21 LEU C C 21 175.859 179.211 -3.352 1
1 148 . 6 1 1 A 22 22 GLU N N 22 119.926 116.326 3.600 1
1 149 . 6 1 1 A 22 22 GLU H H 22 7.927 8.599 -0.672 1
1 150 . 6 1 1 A 22 22 GLU CA C 22 57.490 58.597 -1.107 1
1 151 . 6 1 1 A 22 22 GLU HA H 22 4.511 4.215 0.296 1
1 152 . 6 1 1 A 22 22 GLU CB C 22 32.057 29.013 3.044 1
1 158 . 6 1 1 A 22 22 GLU C C 22 175.521 176.377 -0.856 1
1 159 . 6 1 1 A 23 23 ARG N N 23 116.789 119.510 -2.721 1
1 160 . 6 1 1 A 23 23 ARG H H 23 8.340 7.509 0.831 1
1 161 . 6 1 1 A 23 23 ARG CA C 23 56.464 55.632 0.832 1
1 162 . 6 1 1 A 23 23 ARG HA H 23 4.688 4.771 -0.083 1
1 163 . 6 1 1 A 23 23 ARG CB C 23 32.571 34.043 -1.472 1
1 174 . 6 1 1 A 23 23 ARG C C 23 173.992 174.595 -0.603 1
1 175 . 6 1 1 A 24 24 GLY N N 24 108.837 111.755 -2.918 1
1 176 . 6 1 1 A 24 24 GLY H H 24 8.736 8.661 0.075 1
1 177 . 6 1 1 A 24 24 GLY CA C 24 43.943 44.688 -0.745 1
1 178 . 6 1 1 A 24 24 GLY HA2 H 24 3.510 4.433 -0.923 1
1 179 . 6 1 1 A 24 24 GLY HA3 H 24 4.679 4.478 0.201 1
1 180 . 6 1 1 A 24 24 GLY C C 24 171.930 173.088 -1.158 1
1 181 . 6 1 1 A 25 25 GLU N N 25 122.126 120.631 1.495 1
1 182 . 6 1 1 A 25 25 GLU H H 25 9.429 8.480 0.949 1
1 183 . 6 1 1 A 25 25 GLU CA C 25 54.209 54.462 -0.253 1
1 184 . 6 1 1 A 25 25 GLU HA H 25 5.049 5.288 -0.239 1
1 185 . 6 1 1 A 25 25 GLU CB C 25 32.945 33.833 -0.888 1
1 191 . 6 1 1 A 25 25 GLU C C 25 175.853 175.687 0.166 1
1 192 . 6 1 1 A 26 26 ALA N N 26 128.654 124.968 3.686 1
1 193 . 6 1 1 A 26 26 ALA H H 26 8.518 8.479 0.039 1
1 194 . 6 1 1 A 26 26 ALA CA C 26 53.187 53.550 -0.363 1
1 195 . 6 1 1 A 26 26 ALA HA H 26 3.855 4.312 -0.457 1
1 196 . 6 1 1 A 26 26 ALA CB C 26 17.420 18.770 -1.350 1
1 200 . 6 1 1 A 26 26 ALA C C 26 177.837 178.693 -0.856 1
1 201 . 6 1 1 A 27 27 GLY N N 27 108.210 111.186 -2.976 1
1 202 . 6 1 1 A 27 27 GLY H H 27 8.583 9.138 -0.555 1
1 203 . 6 1 1 A 27 27 GLY CA C 27 45.619 46.378 -0.759 1
1 204 . 6 1 1 A 27 27 GLY HA2 H 27 3.364 3.835 -0.471 1
1 205 . 6 1 1 A 27 27 GLY HA3 H 27 4.158 3.849 0.309 1
1 206 . 6 1 1 A 27 27 GLY C C 27 173.084 173.882 -0.798 1
1 207 . 6 1 1 A 28 28 VAL N N 28 122.974 120.226 2.748 1
1 208 . 6 1 1 A 28 28 VAL H H 28 7.878 7.668 0.210 1
1 209 . 6 1 1 A 28 28 VAL CA C 28 59.182 58.873 0.309 1
1 210 . 6 1 1 A 28 28 VAL HA H 28 4.510 4.415 0.095 1
1 211 . 6 1 1 A 28 28 VAL CB C 28 34.549 35.240 -0.691 1
1 221 . 6 1 1 A 28 28 VAL C C 28 174.171 174.226 -0.055 1
1 222 . 6 1 1 A 29 29 PRO CA C 29 64.354 62.279 2.075 1
1 223 . 6 1 1 A 29 29 PRO HA H 29 4.064 4.595 -0.531 1
1 224 . 6 1 1 A 29 29 PRO CB C 29 31.464 31.430 0.034 1
1 233 . 6 1 1 A 29 29 PRO C C 29 174.718 175.673 -0.955 1
1 234 . 6 1 1 A 30 30 ALA N N 30 131.821 126.840 4.981 1
1 235 . 6 1 1 A 30 30 ALA H H 30 8.990 7.946 1.044 1
1 236 . 6 1 1 A 30 30 ALA CA C 30 50.482 50.532 -0.050 1
1 237 . 6 1 1 A 30 30 ALA HA H 30 4.558 4.703 -0.145 1
1 238 . 6 1 1 A 30 30 ALA CB C 30 18.793 19.930 -1.137 1
1 242 . 6 1 1 A 30 30 ALA C C 30 176.319 176.078 0.241 1
1 243 . 6 1 1 A 31 31 GLU N N 31 119.523 121.489 -1.966 1
1 244 . 6 1 1 A 31 31 GLU H H 31 8.273 8.816 -0.543 1
1 245 . 6 1 1 A 31 31 GLU CA C 31 55.261 54.940 0.321 1
1 246 . 6 1 1 A 31 31 GLU HA H 31 5.290 5.457 -0.167 1
1 247 . 6 1 1 A 31 31 GLU CB C 31 33.484 32.955 0.529 1
1 253 . 6 1 1 A 31 31 GLU C C 31 176.617 175.766 0.851 1
1 254 . 6 1 1 A 32 32 PHE N N 32 115.139 117.723 -2.584 1
1 255 . 6 1 1 A 32 32 PHE H H 32 8.905 8.173 0.732 1
1 256 . 6 1 1 A 32 32 PHE CA C 32 57.490 55.099 2.391 1
1 257 . 6 1 1 A 32 32 PHE HA H 32 5.031 5.708 -0.677 1
1 258 . 6 1 1 A 32 32 PHE CB C 32 39.989 42.609 -2.620 1
1 271 . 6 1 1 A 32 32 PHE C C 32 172.714 172.725 -0.011 1
1 272 . 6 1 1 A 33 33 SER CA C 33 57.324 57.667 -0.343 1
1 273 . 6 1 1 A 33 33 SER HA H 33 5.404 4.905 0.499 1
1 274 . 6 1 1 A 33 33 SER CB C 33 66.623 64.093 2.530 1
1 277 . 6 1 1 A 34 34 ILE N N 34 127.688 126.159 1.529 1
1 278 . 6 1 1 A 34 34 ILE H H 34 9.577 9.004 0.573 1
1 279 . 6 1 1 A 34 34 ILE CA C 34 60.614 60.284 0.330 1
1 280 . 6 1 1 A 34 34 ILE HA H 34 4.668 4.591 0.077 1
1 281 . 6 1 1 A 34 34 ILE CB C 34 41.681 39.689 1.992 1
1 294 . 6 1 1 A 35 35 TRP CA C 35 58.440 56.417 2.023 1
1 295 . 6 1 1 A 35 35 TRP HA H 35 5.262 5.227 0.035 1
1 296 . 6 1 1 A 35 35 TRP CB C 35 30.511 30.356 0.155 1
1 311 . 6 1 1 A 36 36 THR N N 36 114.021 120.519 -6.498 1
1 312 . 6 1 1 A 36 36 THR H H 36 8.680 8.631 0.049 1
1 313 . 6 1 1 A 36 36 THR CA C 36 61.459 60.779 0.680 1
1 314 . 6 1 1 A 36 36 THR HA H 36 4.364 4.664 -0.300 1
1 315 . 6 1 1 A 36 36 THR CB C 36 69.197 68.570 0.627 1
1 321 . 6 1 1 A 37 37 ARG CA C 37 56.501 59.506 -3.005 1
1 322 . 6 1 1 A 37 37 ARG HA H 37 4.207 4.126 0.081 1
1 323 . 6 1 1 A 37 37 ARG CB C 37 30.884 30.363 0.521 1
1 332 . 6 1 1 A 37 37 ARG C C 37 173.005 178.711 -5.706 1
1 333 . 6 1 1 A 38 38 GLU H H 38 8.371 8.057 0.314 1
1 334 . 6 1 1 A 38 38 GLU CA C 38 56.895 58.803 -1.908 1
1 335 . 6 1 1 A 38 38 GLU HA H 38 4.270 4.109 0.161 1
1 336 . 6 1 1 A 38 38 GLU CB C 38 30.001 29.325 0.676 1
1 342 . 6 1 1 A 39 39 ALA N N 39 121.133 121.074 0.059 1
1 343 . 6 1 1 A 39 39 ALA H H 39 7.665 7.485 0.180 1
1 344 . 6 1 1 A 39 39 ALA CA C 39 52.963 51.848 1.115 1
1 345 . 6 1 1 A 39 39 ALA HA H 39 3.964 4.260 -0.296 1
1 346 . 6 1 1 A 39 39 ALA CB C 39 21.097 19.526 1.571 1
1 350 . 6 1 1 A 39 39 ALA C C 39 177.871 178.057 -0.186 1
1 351 . 6 1 1 A 40 40 GLY N N 40 105.600 109.329 -3.729 1
1 352 . 6 1 1 A 40 40 GLY H H 40 7.654 8.593 -0.939 1
1 353 . 6 1 1 A 40 40 GLY CA C 40 44.261 46.537 -2.276 1
1 354 . 6 1 1 A 40 40 GLY HA2 H 40 3.766 3.938 -0.172 1
1 355 . 6 1 1 A 40 40 GLY HA3 H 40 4.196 3.958 0.238 1
1 356 . 6 1 1 A 40 40 GLY C C 40 172.824 173.722 -0.898 1
1 357 . 6 1 1 A 41 41 ALA N N 41 122.720 122.840 -0.120 1
1 358 . 6 1 1 A 41 41 ALA H H 41 8.364 7.913 0.451 1
1 359 . 6 1 1 A 41 41 ALA CA C 41 52.502 51.238 1.264 1
1 360 . 6 1 1 A 41 41 ALA HA H 41 4.396 5.163 -0.767 1
1 361 . 6 1 1 A 41 41 ALA CB C 41 19.295 22.797 -3.502 1
1 365 . 6 1 1 A 41 41 ALA C C 41 178.393 176.439 1.954 1
1 366 . 6 1 1 A 42 42 GLY N N 42 109.713 108.252 1.461 1
1 367 . 6 1 1 A 42 42 GLY H H 42 8.194 8.613 -0.419 1
1 368 . 6 1 1 A 42 42 GLY CA C 42 45.853 46.063 -0.210 1
1 369 . 6 1 1 A 42 42 GLY HA2 H 42 3.616 4.207 -0.591 1
1 370 . 6 1 1 A 42 42 GLY HA3 H 42 3.761 4.266 -0.505 1
1 371 . 6 1 1 A 42 42 GLY C C 42 172.178 172.043 0.135 1
1 372 . 6 1 1 A 43 43 GLY N N 43 105.505 108.448 -2.943 1
1 373 . 6 1 1 A 43 43 GLY H H 43 7.422 8.490 -1.068 1
1 374 . 6 1 1 A 43 43 GLY CA C 43 44.382 44.278 0.104 1
1 375 . 6 1 1 A 43 43 GLY HA2 H 43 3.420 4.074 -0.654 1
1 376 . 6 1 1 A 43 43 GLY HA3 H 43 4.295 4.135 0.160 1
1 377 . 6 1 1 A 43 43 GLY C C 43 172.885 172.926 -0.041 1
1 378 . 6 1 1 A 44 44 LEU N N 44 125.007 121.420 3.587 1
1 379 . 6 1 1 A 44 44 LEU H H 44 8.525 8.558 -0.033 1
1 380 . 6 1 1 A 44 44 LEU CA C 44 53.589 53.810 -0.221 1
1 381 . 6 1 1 A 44 44 LEU HA H 44 5.357 5.003 0.354 1
1 382 . 6 1 1 A 44 44 LEU CB C 44 45.602 46.346 -0.744 1
1 395 . 6 1 1 A 44 44 LEU C C 44 177.034 175.466 1.568 1
1 396 . 6 1 1 A 45 45 SER N N 45 117.626 121.358 -3.732 1
1 397 . 6 1 1 A 45 45 SER H H 45 9.010 8.522 0.488 1
1 398 . 6 1 1 A 45 45 SER CA C 45 57.065 57.180 -0.115 1
1 399 . 6 1 1 A 45 45 SER HA H 45 4.660 5.252 -0.592 1
1 400 . 6 1 1 A 45 45 SER CB C 45 65.309 65.660 -0.351 1
1 403 . 6 1 1 A 45 45 SER C C 45 172.724 173.148 -0.424 1
1 404 . 6 1 1 A 46 46 ILE N N 46 125.604 123.619 1.985 1
1 405 . 6 1 1 A 46 46 ILE H H 46 8.584 8.847 -0.263 1
1 406 . 6 1 1 A 46 46 ILE CA C 46 59.369 60.132 -0.763 1
1 407 . 6 1 1 A 46 46 ILE HA H 46 5.182 5.020 0.162 1
1 408 . 6 1 1 A 46 46 ILE CB C 46 40.879 42.088 -1.209 1
1 421 . 6 1 1 A 46 46 ILE C C 46 174.318 174.482 -0.164 1
1 422 . 6 1 1 A 47 47 ALA N N 47 128.948 128.126 0.822 1
1 423 . 6 1 1 A 47 47 ALA H H 47 8.762 8.751 0.011 1
1 424 . 6 1 1 A 47 47 ALA CA C 47 51.123 50.987 0.136 1
1 425 . 6 1 1 A 47 47 ALA HA H 47 4.724 5.196 -0.472 1
1 426 . 6 1 1 A 47 47 ALA CB C 47 22.575 21.827 0.748 1
1 430 . 6 1 1 A 47 47 ALA C C 47 175.131 175.759 -0.628 1
1 431 . 6 1 1 A 48 48 VAL N N 48 121.512 123.835 -2.323 1
1 432 . 6 1 1 A 48 48 VAL H H 48 8.640 9.118 -0.478 1
1 433 . 6 1 1 A 48 48 VAL CA C 48 61.770 61.934 -0.164 1
1 434 . 6 1 1 A 48 48 VAL HA H 48 4.749 4.552 0.197 1
1 435 . 6 1 1 A 48 48 VAL CB C 48 33.642 32.009 1.633 1
1 445 . 6 1 1 A 48 48 VAL C C 48 174.870 175.613 -0.743 1
1 446 . 6 1 1 A 49 49 GLU N N 49 126.757 126.434 0.323 1
1 447 . 6 1 1 A 49 49 GLU H H 49 8.898 8.990 -0.092 1
1 448 . 6 1 1 A 49 49 GLU CA C 49 54.457 54.862 -0.405 1
1 449 . 6 1 1 A 49 49 GLU HA H 49 5.003 5.328 -0.325 1
1 450 . 6 1 1 A 49 49 GLU CB C 49 33.209 32.917 0.292 1
1 456 . 6 1 1 A 49 49 GLU C C 49 175.282 176.447 -1.165 1
1 457 . 6 1 1 A 50 50 GLY N N 50 112.668 109.482 3.186 1
1 458 . 6 1 1 A 50 50 GLY H H 50 8.563 8.247 0.316 1
1 459 . 6 1 1 A 50 50 GLY CA C 50 45.534 45.248 0.286 1
1 460 . 6 1 1 A 50 50 GLY HA2 H 50 3.481 3.709 -0.228 1
1 461 . 6 1 1 A 50 50 GLY HA3 H 50 3.836 4.050 -0.214 1
1 462 . 6 1 1 A 50 50 GLY C C 50 171.670 174.159 -2.489 1
1 463 . 6 1 1 A 51 51 PRO CA C 51 64.371 63.910 0.461 1
1 464 . 6 1 1 A 51 51 PRO HA H 51 4.309 4.403 -0.094 1
1 465 . 6 1 1 A 51 51 PRO CB C 51 32.183 31.913 0.270 1
1 474 . 6 1 1 A 51 51 PRO C C 51 175.938 176.154 -0.216 1
1 475 . 6 1 1 A 52 52 SER N N 52 109.776 114.550 -4.774 1
1 476 . 6 1 1 A 52 52 SER H H 52 7.281 7.454 -0.173 1
1 477 . 6 1 1 A 52 52 SER CA C 52 56.747 57.474 -0.727 1
1 478 . 6 1 1 A 52 52 SER HA H 52 4.688 4.908 -0.220 1
1 479 . 6 1 1 A 52 52 SER CB C 52 65.901 67.442 -1.541 1
1 482 . 6 1 1 A 52 52 SER C C 52 172.748 173.106 -0.358 1
1 483 . 6 1 1 A 53 53 LYS N N 53 121.441 122.912 -1.471 1
1 484 . 6 1 1 A 53 53 LYS H H 53 8.607 8.362 0.245 1
1 485 . 6 1 1 A 53 53 LYS CA C 53 56.641 56.991 -0.350 1
1 486 . 6 1 1 A 53 53 LYS HA H 53 4.391 4.552 -0.161 1
1 487 . 6 1 1 A 53 53 LYS CB C 53 32.323 33.380 -1.057 1
1 499 . 6 1 1 A 53 53 LYS C C 53 175.721 175.740 -0.019 1
1 500 . 6 1 1 A 54 54 ALA N N 54 129.914 123.504 6.410 1
1 501 . 6 1 1 A 54 54 ALA H H 54 8.941 8.578 0.363 1
1 502 . 6 1 1 A 54 54 ALA CA C 54 50.924 50.593 0.331 1
1 503 . 6 1 1 A 54 54 ALA HA H 54 4.962 5.192 -0.230 1
1 504 . 6 1 1 A 54 54 ALA CB C 54 20.004 22.984 -2.980 1
1 508 . 6 1 1 A 54 54 ALA C C 54 176.618 175.285 1.333 1
1 509 . 6 1 1 A 55 55 GLU N N 55 122.179 122.421 -0.242 1
1 510 . 6 1 1 A 55 55 GLU H H 55 8.153 8.823 -0.670 1
1 511 . 6 1 1 A 55 55 GLU CA C 55 55.689 56.602 -0.913 1
1 512 . 6 1 1 A 55 55 GLU HA H 55 4.569 4.580 -0.011 1
1 513 . 6 1 1 A 55 55 GLU CB C 55 31.003 30.622 0.381 1
1 519 . 6 1 1 A 55 55 GLU C C 55 176.867 175.585 1.282 1
1 520 . 6 1 1 A 56 56 ILE N N 56 127.733 125.943 1.790 1
1 521 . 6 1 1 A 56 56 ILE H H 56 8.948 8.598 0.350 1
1 522 . 6 1 1 A 56 56 ILE CA C 56 61.345 60.346 0.999 1
1 523 . 6 1 1 A 56 56 ILE HA H 56 4.744 5.183 -0.439 1
1 524 . 6 1 1 A 56 56 ILE CB C 56 40.978 42.087 -1.109 1
1 537 . 6 1 1 A 56 56 ILE C C 56 175.675 174.719 0.956 1
1 538 . 6 1 1 A 57 57 THR N N 57 124.172 123.659 0.513 1
1 539 . 6 1 1 A 57 57 THR H H 57 9.410 9.099 0.311 1
1 540 . 6 1 1 A 57 57 THR CA C 57 61.999 61.100 0.899 1
1 541 . 6 1 1 A 57 57 THR HA H 57 4.504 5.048 -0.544 1
1 542 . 6 1 1 A 57 57 THR CB C 57 70.660 70.755 -0.095 1
1 548 . 6 1 1 A 57 57 THR C C 57 172.131 172.598 -0.467 1
1 549 . 6 1 1 A 58 58 PHE N N 58 126.429 128.115 -1.686 1
1 550 . 6 1 1 A 58 58 PHE H H 58 8.796 9.198 -0.402 1
1 551 . 6 1 1 A 58 58 PHE CA C 58 56.680 56.361 0.319 1
1 552 . 6 1 1 A 58 58 PHE HA H 58 4.981 5.058 -0.077 1
1 553 . 6 1 1 A 58 58 PHE CB C 58 42.400 41.192 1.208 1
1 566 . 6 1 1 A 58 58 PHE C C 58 173.719 173.448 0.271 1
1 567 . 6 1 1 A 59 59 ASP N N 59 126.210 125.526 0.684 1
1 568 . 6 1 1 A 59 59 ASP H H 59 8.707 8.101 0.606 1
1 569 . 6 1 1 A 59 59 ASP CA C 59 52.784 53.069 -0.285 1
1 570 . 6 1 1 A 59 59 ASP HA H 59 4.677 4.947 -0.270 1
1 571 . 6 1 1 A 59 59 ASP CB C 59 42.738 40.872 1.866 1
1 574 . 6 1 1 A 59 59 ASP C C 59 173.710 174.287 -0.577 1
1 575 . 6 1 1 A 60 60 ASP N N 60 123.675 125.463 -1.788 1
1 576 . 6 1 1 A 60 60 ASP H H 60 8.490 8.529 -0.039 1
1 577 . 6 1 1 A 60 60 ASP CA C 60 53.871 53.418 0.453 1
1 578 . 6 1 1 A 60 60 ASP HA H 60 4.447 4.781 -0.334 1
1 579 . 6 1 1 A 60 60 ASP CB C 60 41.108 41.128 -0.020 1
1 582 . 6 1 1 A 60 60 ASP C C 60 176.691 175.294 1.397 1
1 583 . 6 1 1 A 61 61 HIS N N 61 124.385 120.510 3.875 1
1 584 . 6 1 1 A 61 61 HIS H H 61 8.122 8.571 -0.449 1
1 585 . 6 1 1 A 61 61 HIS CA C 61 55.608 54.910 0.698 1
1 586 . 6 1 1 A 61 61 HIS HA H 61 4.769 4.814 -0.045 1
1 587 . 6 1 1 A 61 61 HIS CB C 61 28.607 33.562 -4.955 1
1 594 . 6 1 1 A 61 61 HIS C C 61 175.701 175.010 0.691 1
1 595 . 6 1 1 A 62 62 LYS N N 62 115.195 123.676 -8.481 1
1 596 . 6 1 1 A 62 62 LYS H H 62 9.178 8.745 0.433 1
1 597 . 6 1 1 A 62 62 LYS CA C 62 57.585 57.800 -0.215 1
1 598 . 6 1 1 A 62 62 LYS HA H 62 4.028 4.356 -0.328 1
1 599 . 6 1 1 A 62 62 LYS CB C 62 29.373 33.343 -3.970 1
1 611 . 6 1 1 A 63 63 ASN N N 63 116.167 117.909 -1.742 1
1 612 . 6 1 1 A 63 63 ASN H H 63 7.900 8.385 -0.485 1
1 613 . 6 1 1 A 63 63 ASN CA C 63 52.056 55.849 -3.793 1
1 614 . 6 1 1 A 63 63 ASN HA H 63 4.835 4.495 0.340 1
1 615 . 6 1 1 A 63 63 ASN CB C 63 38.468 38.124 0.344 1
1 621 . 6 1 1 A 63 63 ASN C C 63 176.634 178.364 -1.730 1
1 622 . 6 1 1 A 64 64 GLY N N 64 108.877 108.317 0.560 1
1 623 . 6 1 1 A 64 64 GLY H H 64 8.718 7.974 0.744 1
1 624 . 6 1 1 A 64 64 GLY CA C 64 45.534 44.776 0.758 1
1 625 . 6 1 1 A 64 64 GLY HA2 H 64 3.619 3.804 -0.185 1
1 626 . 6 1 1 A 64 64 GLY HA3 H 64 4.247 3.833 0.414 1
1 627 . 6 1 1 A 65 65 SER N N 65 115.229 113.358 1.871 1
1 628 . 6 1 1 A 65 65 SER H H 65 7.962 7.811 0.151 1
1 629 . 6 1 1 A 65 65 SER CA C 65 57.108 57.646 -0.538 1
1 630 . 6 1 1 A 65 65 SER HA H 65 5.531 5.006 0.525 1
1 631 . 6 1 1 A 65 65 SER CB C 65 67.290 66.939 0.351 1
1 634 . 6 1 1 A 66 66 CYS N N 66 118.007 122.338 -4.331 1
1 635 . 6 1 1 A 66 66 CYS H H 66 8.807 8.666 0.141 1
1 636 . 6 1 1 A 66 66 CYS CA C 66 56.476 57.319 -0.843 1
1 637 . 6 1 1 A 66 66 CYS HA H 66 4.672 5.021 -0.349 1
1 638 . 6 1 1 A 66 66 CYS CB C 66 31.077 28.887 2.190 1
1 641 . 6 1 1 A 67 67 GLY N N 67 112.448 111.803 0.645 1
1 642 . 6 1 1 A 67 67 GLY H H 67 8.679 8.626 0.053 1
1 643 . 6 1 1 A 67 67 GLY CA C 67 45.004 44.116 0.888 1
1 644 . 6 1 1 A 67 67 GLY HA2 H 67 3.629 4.208 -0.579 1
1 645 . 6 1 1 A 67 67 GLY HA3 H 67 4.645 4.252 0.393 1
1 646 . 6 1 1 A 67 67 GLY C C 67 171.754 171.498 0.256 1
1 647 . 6 1 1 A 68 68 VAL N N 68 123.840 122.480 1.360 1
1 648 . 6 1 1 A 68 68 VAL H H 68 8.486 8.176 0.310 1
1 649 . 6 1 1 A 68 68 VAL CA C 68 60.143 60.983 -0.840 1
1 650 . 6 1 1 A 68 68 VAL HA H 68 4.579 4.817 -0.238 1
1 651 . 6 1 1 A 68 68 VAL CB C 68 33.946 34.411 -0.465 1
1 661 . 6 1 1 A 68 68 VAL C C 68 174.396 174.982 -0.586 1
1 662 . 6 1 1 A 69 69 SER N N 69 119.414 121.364 -1.950 1
1 663 . 6 1 1 A 69 69 SER H H 69 8.450 8.745 -0.295 1
1 664 . 6 1 1 A 69 69 SER CA C 69 56.169 55.637 0.532 1
1 665 . 6 1 1 A 69 69 SER HA H 69 5.442 5.606 -0.164 1
1 666 . 6 1 1 A 69 69 SER CB C 69 65.640 66.262 -0.622 1
1 669 . 6 1 1 A 69 69 SER C C 69 173.189 173.709 -0.520 1
1 670 . 6 1 1 A 70 70 TYR N N 70 119.504 117.831 1.673 1
1 671 . 6 1 1 A 70 70 TYR H H 70 8.771 8.563 0.208 1
1 672 . 6 1 1 A 70 70 TYR CA C 70 54.962 55.862 -0.900 1
1 673 . 6 1 1 A 70 70 TYR HA H 70 5.922 5.789 0.133 1
1 674 . 6 1 1 A 70 70 TYR CB C 70 42.710 41.964 0.746 1
1 685 . 6 1 1 A 70 70 TYR C C 70 173.056 173.303 -0.247 1
1 686 . 6 1 1 A 71 71 ILE N N 71 117.727 122.791 -5.064 1
1 687 . 6 1 1 A 71 71 ILE H H 71 8.196 8.821 -0.625 1
1 688 . 6 1 1 A 71 71 ILE CA C 71 60.132 60.010 0.122 1
1 689 . 6 1 1 A 71 71 ILE HA H 71 4.161 4.567 -0.406 1
1 690 . 6 1 1 A 71 71 ILE CB C 71 40.790 40.752 0.038 1
1 703 . 6 1 1 A 71 71 ILE C C 71 175.114 174.565 0.549 1
1 704 . 6 1 1 A 72 72 ALA N N 72 133.145 130.403 2.742 1
1 705 . 6 1 1 A 72 72 ALA H H 72 9.466 8.488 0.978 1
1 706 . 6 1 1 A 72 72 ALA CA C 72 50.261 50.476 -0.215 1
1 707 . 6 1 1 A 72 72 ALA HA H 72 4.567 4.481 0.086 1
1 708 . 6 1 1 A 72 72 ALA CB C 72 19.699 18.881 0.818 1
1 712 . 6 1 1 A 72 72 ALA C C 72 177.170 177.710 -0.540 1
1 713 . 6 1 1 A 73 73 GLN N N 73 120.464 124.641 -4.177 1
1 714 . 6 1 1 A 73 73 GLN H H 73 8.649 8.568 0.081 1
1 715 . 6 1 1 A 73 73 GLN CA C 73 57.614 59.338 -1.724 1
1 716 . 6 1 1 A 73 73 GLN HA H 73 4.083 4.055 0.028 1
1 717 . 6 1 1 A 73 73 GLN CB C 73 29.667 28.740 0.927 1
1 726 . 6 1 1 A 73 73 GLN C C 73 175.643 176.537 -0.894 1
1 727 . 6 1 1 A 74 74 GLU N N 74 114.557 117.794 -3.237 1
1 728 . 6 1 1 A 74 74 GLU H H 74 7.102 8.161 -1.059 1
1 729 . 6 1 1 A 74 74 GLU CA C 74 52.242 52.998 -0.756 1
1 730 . 6 1 1 A 74 74 GLU HA H 74 4.988 4.719 0.269 1
1 731 . 6 1 1 A 74 74 GLU CB C 74 31.732 30.472 1.260 1
1 737 . 6 1 1 A 74 74 GLU C C 74 174.462 174.120 0.342 1
1 738 . 6 1 1 A 75 75 PRO CA C 75 63.007 63.263 -0.256 1
1 739 . 6 1 1 A 75 75 PRO HA H 75 4.335 4.679 -0.344 1
1 740 . 6 1 1 A 75 75 PRO CB C 75 32.866 32.832 0.034 1
1 749 . 6 1 1 A 75 75 PRO C C 75 174.572 175.939 -1.367 1
1 750 . 6 1 1 A 76 76 GLY N N 76 107.234 107.610 -0.376 1
1 751 . 6 1 1 A 76 76 GLY H H 76 9.012 8.530 0.482 1
1 752 . 6 1 1 A 76 76 GLY CA C 76 44.615 44.961 -0.346 1
1 753 . 6 1 1 A 76 76 GLY HA2 H 76 3.850 4.179 -0.329 1
1 754 . 6 1 1 A 76 76 GLY HA3 H 76 4.201 4.206 -0.005 1
1 755 . 6 1 1 A 76 76 GLY C C 76 171.133 172.029 -0.896 1
1 756 . 6 1 1 A 77 77 ASN N N 77 119.292 118.670 0.622 1
1 757 . 6 1 1 A 77 77 ASN H H 77 8.549 8.468 0.081 1
1 758 . 6 1 1 A 77 77 ASN CA C 77 52.364 52.825 -0.461 1
1 759 . 6 1 1 A 77 77 ASN HA H 77 5.369 5.286 0.083 1
1 760 . 6 1 1 A 77 77 ASN CB C 77 39.176 39.070 0.106 1
1 766 . 6 1 1 A 77 77 ASN C C 77 174.470 174.288 0.182 1
1 767 . 6 1 1 A 78 78 TYR N N 78 123.809 125.095 -1.286 1
1 768 . 6 1 1 A 78 78 TYR H H 78 9.094 8.995 0.099 1
1 769 . 6 1 1 A 78 78 TYR CA C 78 56.818 57.816 -0.998 1
1 770 . 6 1 1 A 78 78 TYR HA H 78 4.859 5.034 -0.175 1
1 771 . 6 1 1 A 78 78 TYR CB C 78 39.860 39.331 0.529 1
1 782 . 6 1 1 A 78 78 TYR C C 78 174.184 174.997 -0.813 1
1 783 . 6 1 1 A 79 79 GLU N N 79 122.250 125.825 -3.575 1
1 784 . 6 1 1 A 79 79 GLU H H 79 9.259 9.052 0.207 1
1 785 . 6 1 1 A 79 79 GLU CA C 79 54.692 56.051 -1.359 1
1 786 . 6 1 1 A 79 79 GLU HA H 79 5.313 5.027 0.286 1
1 787 . 6 1 1 A 79 79 GLU CB C 79 32.159 30.457 1.702 1
1 793 . 6 1 1 A 79 79 GLU C C 79 176.631 175.392 1.239 1
1 794 . 6 1 1 A 80 80 VAL N N 80 131.418 129.249 2.169 1
1 795 . 6 1 1 A 80 80 VAL H H 80 9.761 8.797 0.964 1
1 796 . 6 1 1 A 80 80 VAL CA C 80 61.522 61.730 -0.208 1
1 797 . 6 1 1 A 80 80 VAL HA H 80 4.801 4.772 0.029 1
1 798 . 6 1 1 A 80 80 VAL CB C 80 32.818 32.003 0.815 1
1 808 . 6 1 1 A 80 80 VAL C C 80 175.573 175.208 0.365 1
1 809 . 6 1 1 A 81 81 SER N N 81 123.238 123.704 -0.466 1
1 810 . 6 1 1 A 81 81 SER H H 81 9.457 9.170 0.287 1
1 811 . 6 1 1 A 81 81 SER CA C 81 57.589 58.161 -0.572 1
1 812 . 6 1 1 A 81 81 SER HA H 81 5.167 5.043 0.124 1
1 813 . 6 1 1 A 81 81 SER CB C 81 64.882 63.923 0.959 1
1 816 . 6 1 1 A 81 81 SER C C 81 173.514 174.192 -0.678 1
1 817 . 6 1 1 A 82 82 ILE N N 82 126.261 127.948 -1.687 1
1 818 . 6 1 1 A 82 82 ILE H H 82 9.642 9.256 0.386 1
1 819 . 6 1 1 A 82 82 ILE CA C 82 60.992 59.988 1.004 1
1 820 . 6 1 1 A 82 82 ILE HA H 82 4.667 5.055 -0.388 1
1 821 . 6 1 1 A 82 82 ILE CB C 82 40.692 40.069 0.623 1
1 834 . 6 1 1 A 82 82 ILE C C 82 173.498 175.301 -1.803 1
1 835 . 6 1 1 A 83 83 LYS N N 83 123.477 126.365 -2.888 1
1 836 . 6 1 1 A 83 83 LYS H H 83 8.720 8.994 -0.274 1
1 837 . 6 1 1 A 83 83 LYS CA C 83 53.730 55.110 -1.380 1
1 838 . 6 1 1 A 83 83 LYS HA H 83 5.139 5.117 0.022 1
1 839 . 6 1 1 A 83 83 LYS CB C 83 36.351 35.389 0.962 1
1 851 . 6 1 1 A 83 83 LYS C C 83 174.914 174.363 0.551 1
1 852 . 6 1 1 A 84 84 PHE N N 84 122.298 126.076 -3.778 1
1 853 . 6 1 1 A 84 84 PHE H H 84 9.154 9.258 -0.104 1
1 854 . 6 1 1 A 84 84 PHE CA C 84 56.057 57.595 -1.538 1
1 855 . 6 1 1 A 84 84 PHE HA H 84 5.238 4.818 0.420 1
1 856 . 6 1 1 A 84 84 PHE CB C 84 43.136 41.212 1.924 1
1 867 . 6 1 1 A 84 84 PHE C C 84 175.864 175.077 0.787 1
1 868 . 6 1 1 A 85 85 ASN N N 85 127.936 125.148 2.788 1
1 869 . 6 1 1 A 85 85 ASN H H 85 9.040 9.258 -0.218 1
1 870 . 6 1 1 A 85 85 ASN CA C 85 54.448 54.401 0.047 1
1 871 . 6 1 1 A 85 85 ASN HA H 85 4.206 4.166 0.040 1
1 872 . 6 1 1 A 85 85 ASN CB C 85 36.554 36.587 -0.033 1
1 878 . 6 1 1 A 85 85 ASN C C 85 174.620 174.825 -0.205 1
1 879 . 6 1 1 A 86 86 ASP N N 86 108.763 116.060 -7.297 1
1 880 . 6 1 1 A 86 86 ASP H H 86 8.828 8.450 0.378 1
1 881 . 6 1 1 A 86 86 ASP CA C 86 56.405 55.348 1.057 1
1 882 . 6 1 1 A 86 86 ASP HA H 86 3.946 4.201 -0.255 1
1 883 . 6 1 1 A 86 86 ASP CB C 86 40.367 40.004 0.363 1
1 886 . 6 1 1 A 86 86 ASP C C 86 174.169 174.765 -0.596 1
1 887 . 6 1 1 A 87 87 GLU N N 87 119.289 117.262 2.027 1
1 888 . 6 1 1 A 87 87 GLU H H 87 7.510 7.612 -0.102 1
1 889 . 6 1 1 A 87 87 GLU CA C 87 54.483 54.904 -0.421 1
1 890 . 6 1 1 A 87 87 GLU HA H 87 4.743 4.902 -0.159 1
1 891 . 6 1 1 A 87 87 GLU CB C 87 32.763 33.092 -0.329 1
1 897 . 6 1 1 A 87 87 GLU C C 87 175.825 175.240 0.585 1
1 898 . 6 1 1 A 88 88 HIS N N 88 123.465 120.672 2.793 1
1 899 . 6 1 1 A 88 88 HIS H H 88 8.822 9.297 -0.475 1
1 900 . 6 1 1 A 88 88 HIS CA C 88 59.117 55.687 3.430 1
1 901 . 6 1 1 A 88 88 HIS HA H 88 4.511 4.994 -0.483 1
1 902 . 6 1 1 A 88 88 HIS CB C 88 32.254 30.494 1.760 1
1 909 . 6 1 1 A 88 88 HIS C C 88 177.352 175.603 1.749 1
1 910 . 6 1 1 A 89 89 ILE N N 89 117.945 122.878 -4.933 1
1 911 . 6 1 1 A 89 89 ILE H H 89 8.131 8.546 -0.415 1
1 912 . 6 1 1 A 89 89 ILE CA C 89 61.121 59.925 1.196 1
1 913 . 6 1 1 A 89 89 ILE HA H 89 4.519 4.527 -0.008 1
1 914 . 6 1 1 A 89 89 ILE CB C 89 35.538 37.692 -2.154 1
1 927 . 6 1 1 A 89 89 ILE C C 89 173.831 176.831 -3.000 1
1 928 . 6 1 1 A 90 90 PRO CA C 90 66.545 64.313 2.232 1
1 929 . 6 1 1 A 90 90 PRO HA H 90 4.223 4.548 -0.325 1
1 930 . 6 1 1 A 90 90 PRO CB C 90 31.693 31.591 0.102 1
1 939 . 6 1 1 A 90 90 PRO C C 90 177.046 176.816 0.230 1
1 940 . 6 1 1 A 91 91 GLU N N 91 113.835 117.069 -3.234 1
1 941 . 6 1 1 A 91 91 GLU H H 91 8.223 8.184 0.039 1
1 942 . 6 1 1 A 91 91 GLU CA C 91 57.913 56.265 1.648 1
1 943 . 6 1 1 A 91 91 GLU HA H 91 3.733 4.361 -0.628 1
1 944 . 6 1 1 A 91 91 GLU CB C 91 27.681 31.185 -3.504 1
1 950 . 6 1 1 A 91 91 GLU C C 91 173.469 175.761 -2.292 1
1 951 . 6 1 1 A 92 92 SER N N 92 111.462 113.099 -1.637 1
1 952 . 6 1 1 A 92 92 SER H H 92 7.489 7.536 -0.047 1
1 953 . 6 1 1 A 92 92 SER CA C 92 54.873 55.216 -0.343 1
1 954 . 6 1 1 A 92 92 SER HA H 92 4.427 4.655 -0.228 1
1 955 . 6 1 1 A 92 92 SER CB C 92 63.317 64.660 -1.343 1
1 958 . 6 1 1 A 92 92 SER C C 92 174.195 172.755 1.440 1
1 959 . 6 1 1 A 93 93 PRO CA C 93 62.333 62.482 -0.149 1
1 960 . 6 1 1 A 93 93 PRO HA H 93 5.483 4.760 0.723 1
1 961 . 6 1 1 A 93 93 PRO CB C 93 34.386 32.802 1.584 1
1 970 . 6 1 1 A 93 93 PRO C C 93 176.059 174.887 1.172 1
1 971 . 6 1 1 A 94 94 TYR N N 94 122.179 119.303 2.876 1
1 972 . 6 1 1 A 94 94 TYR H H 94 9.372 8.877 0.495 1
1 973 . 6 1 1 A 94 94 TYR CA C 94 57.101 56.655 0.446 1
1 974 . 6 1 1 A 94 94 TYR HA H 94 4.531 5.197 -0.666 1
1 975 . 6 1 1 A 94 94 TYR CB C 94 40.027 41.780 -1.753 1
1 986 . 6 1 1 A 94 94 TYR C C 94 175.281 174.173 1.108 1
1 987 . 6 1 1 A 95 95 LEU N N 95 126.428 124.048 2.380 1
1 988 . 6 1 1 A 95 95 LEU H H 95 8.807 8.721 0.086 1
1 989 . 6 1 1 A 95 95 LEU CA C 95 54.200 53.646 0.554 1
1 990 . 6 1 1 A 95 95 LEU HA H 95 4.981 5.183 -0.202 1
1 991 . 6 1 1 A 95 95 LEU CB C 95 41.894 44.873 -2.979 1
1 1004 . 6 1 1 A 95 95 LEU C C 95 176.295 174.507 1.788 1
1 1005 . 6 1 1 A 96 96 VAL N N 96 130.944 127.332 3.612 1
1 1006 . 6 1 1 A 96 96 VAL H H 96 9.629 8.787 0.842 1
1 1007 . 6 1 1 A 96 96 VAL CA C 96 59.813 59.500 0.313 1
1 1008 . 6 1 1 A 96 96 VAL HA H 96 4.469 4.618 -0.149 1
1 1009 . 6 1 1 A 96 96 VAL CB C 96 35.052 33.378 1.674 1
1 1019 . 6 1 1 A 96 96 VAL C C 96 173.734 174.519 -0.785 1
1 1020 . 6 1 1 A 97 97 PRO CA C 97 62.379 62.378 0.001 1
1 1021 . 6 1 1 A 97 97 PRO HA H 97 5.016 4.780 0.236 1
1 1022 . 6 1 1 A 97 97 PRO CB C 97 32.163 29.856 2.307 1
1 1031 . 6 1 1 A 97 97 PRO C C 97 175.950 176.449 -0.499 1
1 1032 . 6 1 1 A 98 98 VAL N N 98 125.524 123.773 1.751 1
1 1033 . 6 1 1 A 98 98 VAL H H 98 9.196 8.779 0.417 1
1 1034 . 6 1 1 A 98 98 VAL CA C 98 61.345 62.768 -1.423 1
1 1035 . 6 1 1 A 98 98 VAL HA H 98 4.411 4.601 -0.190 1
1 1036 . 6 1 1 A 98 98 VAL CB C 98 32.037 31.678 0.359 1
1 1046 . 6 1 1 A 98 98 VAL C C 98 176.996 176.125 0.871 1
1 1047 . 6 1 1 A 99 99 ILE N N 99 124.035 122.931 1.104 1
1 1048 . 6 1 1 A 99 99 ILE H H 99 8.392 8.781 -0.389 1
1 1049 . 6 1 1 A 99 99 ILE CA C 99 59.802 58.523 1.279 1
1 1050 . 6 1 1 A 99 99 ILE HA H 99 4.651 5.034 -0.383 1
1 1051 . 6 1 1 A 99 99 ILE CB C 99 40.609 41.850 -1.241 1
1 1064 . 6 1 1 A 99 99 ILE C C 99 175.482 174.524 0.958 1
1 1065 . 6 1 1 A 100 100 ALA N N 100 125.837 125.113 0.724 1
1 1066 . 6 1 1 A 100 100 ALA H H 100 8.714 8.486 0.228 1
1 1067 . 6 1 1 A 100 100 ALA CA C 100 50.416 50.164 0.252 1
1 1068 . 6 1 1 A 100 100 ALA HA H 100 4.603 4.491 0.112 1
1 1069 . 6 1 1 A 100 100 ALA CB C 100 18.088 19.684 -1.596 1
1 1073 . 6 1 1 A 100 100 ALA C C 100 175.264 176.217 -0.953 1
1 1074 . 6 1 1 A 101 101 PRO CA C 101 63.104 62.828 0.276 1
1 1075 . 6 1 1 A 101 101 PRO HA H 101 4.483 4.552 -0.069 1
1 1076 . 6 1 1 A 101 101 PRO CB C 101 32.222 32.260 -0.038 1
1 1085 . 6 1 1 A 101 101 PRO C C 101 176.976 176.472 0.504 1
1 1086 . 6 1 1 A 102 102 SER N N 102 116.530 117.530 -1.000 1
1 1087 . 6 1 1 A 102 102 SER H H 102 8.527 8.679 -0.152 1
1 1088 . 6 1 1 A 102 102 SER CA C 102 58.283 57.524 0.759 1
1 1089 . 6 1 1 A 102 102 SER HA H 102 4.433 4.517 -0.084 1
1 1090 . 6 1 1 A 102 102 SER CB C 102 64.078 63.481 0.597 1
1 1093 . 6 1 1 A 102 102 SER C C 102 174.510 175.194 -0.684 1
1 1094 . 6 1 1 A 103 103 ASP N N 103 123.018 128.961 -5.943 1
1 1095 . 6 1 1 A 103 103 ASP H H 103 8.450 8.932 -0.482 1
1 1096 . 6 1 1 A 103 103 ASP CA C 103 54.431 58.008 -3.577 1
1 1097 . 6 1 1 A 103 103 ASP HA H 103 4.654 4.268 0.386 1
1 1098 . 6 1 1 A 103 103 ASP CB C 103 41.226 40.336 0.890 1
1 1101 . 6 1 1 A 103 103 ASP C C 103 175.889 178.053 -2.164 1
1 1102 . 6 1 1 A 104 104 ASP N N 104 120.896 119.512 1.384 1
1 1103 . 6 1 1 A 104 104 ASP H H 104 8.264 8.248 0.016 1
1 1104 . 6 1 1 A 104 104 ASP CA C 104 54.283 56.926 -2.643 1
1 1105 . 6 1 1 A 104 104 ASP HA H 104 4.601 4.354 0.247 1
1 1106 . 6 1 1 A 104 104 ASP CB C 104 41.183 41.097 0.086 1
1 1109 . 6 1 1 A 104 104 ASP C C 104 175.065 177.985 -2.920 1
1 1 . 7 1 1 A 7 7 GLY N N 7 110.767 110.924 -0.157 1
1 2 . 7 1 1 A 7 7 GLY H H 7 8.421 8.612 -0.191 1
1 3 . 7 1 1 A 7 7 GLY CA C 7 45.393 44.830 0.563 1
1 4 . 7 1 1 A 7 7 GLY HA2 H 7 4.003 4.229 -0.226 1
1 5 . 7 1 1 A 7 7 GLY HA3 H 7 4.003 4.237 -0.234 1
1 6 . 7 1 1 A 7 7 GLY C C 7 174.160 174.274 -0.114 1
1 7 . 7 1 1 A 8 8 GLU N N 8 120.419 120.406 0.013 1
1 8 . 7 1 1 A 8 8 GLU H H 8 8.320 8.569 -0.249 1
1 9 . 7 1 1 A 8 8 GLU CA C 8 56.499 56.049 0.450 1
1 10 . 7 1 1 A 8 8 GLU HA H 8 4.390 4.749 -0.359 1
1 11 . 7 1 1 A 8 8 GLU CB C 8 30.615 32.166 -1.551 1
1 17 . 7 1 1 A 8 8 GLU C C 8 176.858 176.074 0.784 1
1 18 . 7 1 1 A 9 9 GLY N N 9 109.731 107.345 2.386 1
1 19 . 7 1 1 A 9 9 GLY H H 9 8.522 7.517 1.005 1
1 20 . 7 1 1 A 9 9 GLY CA C 9 45.110 45.807 -0.697 1
1 21 . 7 1 1 A 9 9 GLY HA2 H 9 4.090 4.100 -0.010 1
1 22 . 7 1 1 A 9 9 GLY HA3 H 9 3.931 4.172 -0.241 1
1 23 . 7 1 1 A 9 9 GLY C C 9 173.933 171.769 2.164 1
1 24 . 7 1 1 A 10 10 GLY N N 10 107.139 110.451 -3.312 1
1 25 . 7 1 1 A 10 10 GLY H H 10 8.393 8.226 0.167 1
1 26 . 7 1 1 A 10 10 GLY CA C 10 45.039 45.382 -0.343 1
1 27 . 7 1 1 A 10 10 GLY HA2 H 10 3.868 4.463 -0.595 1
1 28 . 7 1 1 A 10 10 GLY HA3 H 10 4.528 4.537 -0.009 1
1 29 . 7 1 1 A 10 10 GLY C C 10 174.561 174.705 -0.144 1
1 30 . 7 1 1 A 11 11 ALA N N 11 122.466 122.776 -0.310 1
1 31 . 7 1 1 A 11 11 ALA H H 11 8.875 8.897 -0.022 1
1 32 . 7 1 1 A 11 11 ALA CA C 11 55.391 55.027 0.364 1
1 33 . 7 1 1 A 11 11 ALA HA H 11 3.803 4.132 -0.329 1
1 34 . 7 1 1 A 11 11 ALA CB C 11 19.583 18.935 0.648 1
1 38 . 7 1 1 A 11 11 ALA C C 11 178.242 179.882 -1.640 1
1 39 . 7 1 1 A 12 12 HIS N N 12 111.513 116.012 -4.499 1
1 40 . 7 1 1 A 12 12 HIS H H 12 8.290 8.688 -0.398 1
1 41 . 7 1 1 A 12 12 HIS CA C 12 57.847 59.341 -1.494 1
1 42 . 7 1 1 A 12 12 HIS HA H 12 4.443 4.378 0.065 1
1 43 . 7 1 1 A 12 12 HIS CB C 12 29.321 28.910 0.411 1
1 50 . 7 1 1 A 12 12 HIS C C 12 176.189 177.755 -1.566 1
1 51 . 7 1 1 A 13 13 LYS N N 13 118.111 119.371 -1.260 1
1 52 . 7 1 1 A 13 13 LYS H H 13 7.558 7.093 0.465 1
1 53 . 7 1 1 A 13 13 LYS CA C 13 54.660 59.049 -4.389 1
1 54 . 7 1 1 A 13 13 LYS HA H 13 4.202 3.748 0.454 1
1 55 . 7 1 1 A 13 13 LYS CB C 13 32.655 31.969 0.686 1
1 67 . 7 1 1 A 13 13 LYS C C 13 176.721 177.551 -0.830 1
1 68 . 7 1 1 A 14 14 VAL N N 14 123.625 119.212 4.413 1
1 69 . 7 1 1 A 14 14 VAL H H 14 7.499 7.335 0.164 1
1 70 . 7 1 1 A 14 14 VAL CA C 14 63.247 63.317 -0.070 1
1 71 . 7 1 1 A 14 14 VAL HA H 14 3.907 3.759 0.148 1
1 72 . 7 1 1 A 14 14 VAL CB C 14 31.649 31.530 0.119 1
1 82 . 7 1 1 A 15 15 ARG H H 15 8.106 8.578 -0.472 1
1 83 . 7 1 1 A 15 15 ARG CA C 15 53.791 54.217 -0.426 1
1 84 . 7 1 1 A 15 15 ARG HA H 15 5.021 5.042 -0.021 1
1 85 . 7 1 1 A 15 15 ARG CB C 15 34.207 33.542 0.665 1
1 94 . 7 1 1 A 16 16 ALA N N 16 123.795 127.803 -4.008 1
1 95 . 7 1 1 A 16 16 ALA H H 16 8.875 9.147 -0.272 1
1 96 . 7 1 1 A 16 16 ALA CA C 16 51.092 50.749 0.343 1
1 97 . 7 1 1 A 16 16 ALA HA H 16 5.569 5.424 0.145 1
1 98 . 7 1 1 A 16 16 ALA CB C 16 23.845 21.342 2.503 1
1 102 . 7 1 1 A 17 17 GLY N N 17 106.516 107.305 -0.789 1
1 103 . 7 1 1 A 17 17 GLY H H 17 8.616 8.599 0.017 1
1 104 . 7 1 1 A 17 17 GLY CA C 17 46.205 45.555 0.650 1
1 105 . 7 1 1 A 17 17 GLY HA2 H 17 4.289 4.408 -0.119 1
1 106 . 7 1 1 A 17 17 GLY HA3 H 17 4.226 4.450 -0.224 1
1 107 . 7 1 1 A 18 18 GLY N N 18 111.804 108.215 3.589 1
1 108 . 7 1 1 A 18 18 GLY H H 18 8.816 8.464 0.352 1
1 109 . 7 1 1 A 18 18 GLY CA C 18 44.595 44.372 0.223 1
1 110 . 7 1 1 A 18 18 GLY HA2 H 18 4.105 4.250 -0.145 1
1 111 . 7 1 1 A 18 18 GLY HA3 H 18 4.105 4.276 -0.171 1
1 112 . 7 1 1 A 19 19 PRO CA C 19 65.526 63.476 2.050 1
1 113 . 7 1 1 A 19 19 PRO HA H 19 4.335 4.264 0.071 1
1 114 . 7 1 1 A 19 19 PRO CB C 19 31.790 32.373 -0.583 1
1 123 . 7 1 1 A 19 19 PRO C C 19 179.208 177.193 2.015 1
1 124 . 7 1 1 A 20 20 GLY N N 20 103.234 110.286 -7.052 1
1 125 . 7 1 1 A 20 20 GLY H H 20 9.282 8.799 0.483 1
1 126 . 7 1 1 A 20 20 GLY CA C 20 46.361 45.681 0.680 1
1 127 . 7 1 1 A 20 20 GLY HA2 H 20 3.214 3.938 -0.724 1
1 128 . 7 1 1 A 20 20 GLY HA3 H 20 4.184 4.009 0.175 1
1 129 . 7 1 1 A 20 20 GLY C C 20 172.711 176.105 -3.394 1
1 130 . 7 1 1 A 21 21 LEU N N 21 116.307 121.903 -5.596 1
1 131 . 7 1 1 A 21 21 LEU H H 21 7.559 7.966 -0.407 1
1 132 . 7 1 1 A 21 21 LEU CA C 21 53.980 56.803 -2.823 1
1 133 . 7 1 1 A 21 21 LEU HA H 21 4.166 3.984 0.182 1
1 134 . 7 1 1 A 21 21 LEU CB C 21 40.135 41.735 -1.600 1
1 147 . 7 1 1 A 21 21 LEU C C 21 175.859 178.845 -2.986 1
1 148 . 7 1 1 A 22 22 GLU N N 22 119.926 116.870 3.056 1
1 149 . 7 1 1 A 22 22 GLU H H 22 7.927 7.904 0.023 1
1 150 . 7 1 1 A 22 22 GLU CA C 22 57.490 58.681 -1.191 1
1 151 . 7 1 1 A 22 22 GLU HA H 22 4.511 4.280 0.231 1
1 152 . 7 1 1 A 22 22 GLU CB C 22 32.057 30.370 1.687 1
1 158 . 7 1 1 A 22 22 GLU C C 22 175.521 176.763 -1.242 1
1 159 . 7 1 1 A 23 23 ARG N N 23 116.789 117.274 -0.485 1
1 160 . 7 1 1 A 23 23 ARG H H 23 8.340 7.702 0.638 1
1 161 . 7 1 1 A 23 23 ARG CA C 23 56.464 55.394 1.070 1
1 162 . 7 1 1 A 23 23 ARG HA H 23 4.688 4.800 -0.112 1
1 163 . 7 1 1 A 23 23 ARG CB C 23 32.571 33.813 -1.242 1
1 174 . 7 1 1 A 23 23 ARG C C 23 173.992 174.402 -0.410 1
1 175 . 7 1 1 A 24 24 GLY N N 24 108.837 112.110 -3.273 1
1 176 . 7 1 1 A 24 24 GLY H H 24 8.736 8.749 -0.013 1
1 177 . 7 1 1 A 24 24 GLY CA C 24 43.943 44.524 -0.581 1
1 178 . 7 1 1 A 24 24 GLY HA2 H 24 3.510 4.321 -0.811 1
1 179 . 7 1 1 A 24 24 GLY HA3 H 24 4.679 4.368 0.311 1
1 180 . 7 1 1 A 24 24 GLY C C 24 171.930 172.317 -0.387 1
1 181 . 7 1 1 A 25 25 GLU N N 25 122.126 120.898 1.228 1
1 182 . 7 1 1 A 25 25 GLU H H 25 9.429 8.502 0.927 1
1 183 . 7 1 1 A 25 25 GLU CA C 25 54.209 54.825 -0.616 1
1 184 . 7 1 1 A 25 25 GLU HA H 25 5.049 5.218 -0.169 1
1 185 . 7 1 1 A 25 25 GLU CB C 25 32.945 32.818 0.127 1
1 191 . 7 1 1 A 25 25 GLU C C 25 175.853 175.780 0.073 1
1 192 . 7 1 1 A 26 26 ALA N N 26 128.654 127.873 0.781 1
1 193 . 7 1 1 A 26 26 ALA H H 26 8.518 8.942 -0.424 1
1 194 . 7 1 1 A 26 26 ALA CA C 26 53.187 53.933 -0.746 1
1 195 . 7 1 1 A 26 26 ALA HA H 26 3.855 4.243 -0.388 1
1 196 . 7 1 1 A 26 26 ALA CB C 26 17.420 18.591 -1.171 1
1 200 . 7 1 1 A 26 26 ALA C C 26 177.837 178.048 -0.211 1
1 201 . 7 1 1 A 27 27 GLY N N 27 108.210 110.866 -2.656 1
1 202 . 7 1 1 A 27 27 GLY H H 27 8.583 8.838 -0.255 1
1 203 . 7 1 1 A 27 27 GLY CA C 27 45.619 44.951 0.668 1
1 204 . 7 1 1 A 27 27 GLY HA2 H 27 3.364 3.960 -0.596 1
1 205 . 7 1 1 A 27 27 GLY HA3 H 27 4.158 3.965 0.193 1
1 206 . 7 1 1 A 27 27 GLY C C 27 173.084 173.865 -0.781 1
1 207 . 7 1 1 A 28 28 VAL N N 28 122.974 121.936 1.038 1
1 208 . 7 1 1 A 28 28 VAL H H 28 7.878 7.688 0.190 1
1 209 . 7 1 1 A 28 28 VAL CA C 28 59.182 59.197 -0.015 1
1 210 . 7 1 1 A 28 28 VAL HA H 28 4.510 4.275 0.235 1
1 211 . 7 1 1 A 28 28 VAL CB C 28 34.549 32.511 2.038 1
1 221 . 7 1 1 A 28 28 VAL C C 28 174.171 174.581 -0.410 1
1 222 . 7 1 1 A 29 29 PRO CA C 29 64.354 62.310 2.044 1
1 223 . 7 1 1 A 29 29 PRO HA H 29 4.064 4.723 -0.659 1
1 224 . 7 1 1 A 29 29 PRO CB C 29 31.464 32.738 -1.274 1
1 233 . 7 1 1 A 29 29 PRO C C 29 174.718 175.584 -0.866 1
1 234 . 7 1 1 A 30 30 ALA N N 30 131.821 123.124 8.697 1
1 235 . 7 1 1 A 30 30 ALA H H 30 8.990 8.288 0.702 1
1 236 . 7 1 1 A 30 30 ALA CA C 30 50.482 50.539 -0.057 1
1 237 . 7 1 1 A 30 30 ALA HA H 30 4.558 4.696 -0.138 1
1 238 . 7 1 1 A 30 30 ALA CB C 30 18.793 20.039 -1.246 1
1 242 . 7 1 1 A 30 30 ALA C C 30 176.319 176.474 -0.155 1
1 243 . 7 1 1 A 31 31 GLU N N 31 119.523 122.299 -2.776 1
1 244 . 7 1 1 A 31 31 GLU H H 31 8.273 8.563 -0.290 1
1 245 . 7 1 1 A 31 31 GLU CA C 31 55.261 55.176 0.085 1
1 246 . 7 1 1 A 31 31 GLU HA H 31 5.290 5.425 -0.135 1
1 247 . 7 1 1 A 31 31 GLU CB C 31 33.484 32.188 1.296 1
1 253 . 7 1 1 A 31 31 GLU C C 31 176.617 175.925 0.692 1
1 254 . 7 1 1 A 32 32 PHE N N 32 115.139 117.747 -2.608 1
1 255 . 7 1 1 A 32 32 PHE H H 32 8.905 7.865 1.040 1
1 256 . 7 1 1 A 32 32 PHE CA C 32 57.490 55.565 1.925 1
1 257 . 7 1 1 A 32 32 PHE HA H 32 5.031 5.353 -0.322 1
1 258 . 7 1 1 A 32 32 PHE CB C 32 39.989 42.311 -2.322 1
1 271 . 7 1 1 A 32 32 PHE C C 32 172.714 172.860 -0.146 1
1 272 . 7 1 1 A 33 33 SER CA C 33 57.324 55.764 1.560 1
1 273 . 7 1 1 A 33 33 SER HA H 33 5.404 5.040 0.364 1
1 274 . 7 1 1 A 33 33 SER CB C 33 66.623 64.812 1.811 1
1 277 . 7 1 1 A 34 34 ILE N N 34 127.688 123.999 3.689 1
1 278 . 7 1 1 A 34 34 ILE H H 34 9.577 8.712 0.865 1
1 279 . 7 1 1 A 34 34 ILE CA C 34 60.614 60.365 0.249 1
1 280 . 7 1 1 A 34 34 ILE HA H 34 4.668 4.547 0.121 1
1 281 . 7 1 1 A 34 34 ILE CB C 34 41.681 39.931 1.750 1
1 294 . 7 1 1 A 35 35 TRP CA C 35 58.440 56.838 1.602 1
1 295 . 7 1 1 A 35 35 TRP HA H 35 5.262 5.119 0.143 1
1 296 . 7 1 1 A 35 35 TRP CB C 35 30.511 31.643 -1.132 1
1 311 . 7 1 1 A 36 36 THR N N 36 114.021 113.643 0.378 1
1 312 . 7 1 1 A 36 36 THR H H 36 8.680 8.984 -0.304 1
1 313 . 7 1 1 A 36 36 THR CA C 36 61.459 60.558 0.901 1
1 314 . 7 1 1 A 36 36 THR HA H 36 4.364 5.193 -0.829 1
1 315 . 7 1 1 A 36 36 THR CB C 36 69.197 70.969 -1.772 1
1 321 . 7 1 1 A 37 37 ARG CA C 37 56.501 54.884 1.617 1
1 322 . 7 1 1 A 37 37 ARG HA H 37 4.207 4.821 -0.614 1
1 323 . 7 1 1 A 37 37 ARG CB C 37 30.884 32.488 -1.604 1
1 332 . 7 1 1 A 37 37 ARG C C 37 173.005 175.266 -2.261 1
1 333 . 7 1 1 A 38 38 GLU H H 38 8.371 8.993 -0.622 1
1 334 . 7 1 1 A 38 38 GLU CA C 38 56.895 57.446 -0.551 1
1 335 . 7 1 1 A 38 38 GLU HA H 38 4.270 3.906 0.364 1
1 336 . 7 1 1 A 38 38 GLU CB C 38 30.001 27.700 2.301 1
1 342 . 7 1 1 A 39 39 ALA N N 39 121.133 120.310 0.823 1
1 343 . 7 1 1 A 39 39 ALA H H 39 7.665 8.268 -0.603 1
1 344 . 7 1 1 A 39 39 ALA CA C 39 52.963 52.681 0.282 1
1 345 . 7 1 1 A 39 39 ALA HA H 39 3.964 4.431 -0.467 1
1 346 . 7 1 1 A 39 39 ALA CB C 39 21.097 21.163 -0.066 1
1 350 . 7 1 1 A 39 39 ALA C C 39 177.871 177.499 0.372 1
1 351 . 7 1 1 A 40 40 GLY N N 40 105.600 106.406 -0.806 1
1 352 . 7 1 1 A 40 40 GLY H H 40 7.654 7.898 -0.244 1
1 353 . 7 1 1 A 40 40 GLY CA C 40 44.261 45.504 -1.243 1
1 354 . 7 1 1 A 40 40 GLY HA2 H 40 3.766 4.101 -0.335 1
1 355 . 7 1 1 A 40 40 GLY HA3 H 40 4.196 4.232 -0.036 1
1 356 . 7 1 1 A 40 40 GLY C C 40 172.824 174.933 -2.109 1
1 357 . 7 1 1 A 41 41 ALA N N 41 122.720 121.834 0.886 1
1 358 . 7 1 1 A 41 41 ALA H H 41 8.364 8.612 -0.248 1
1 359 . 7 1 1 A 41 41 ALA CA C 41 52.502 53.479 -0.977 1
1 360 . 7 1 1 A 41 41 ALA HA H 41 4.396 4.392 0.004 1
1 361 . 7 1 1 A 41 41 ALA CB C 41 19.295 17.395 1.900 1
1 365 . 7 1 1 A 41 41 ALA C C 41 178.393 178.078 0.315 1
1 366 . 7 1 1 A 42 42 GLY N N 42 109.713 103.299 6.414 1
1 367 . 7 1 1 A 42 42 GLY H H 42 8.194 8.438 -0.244 1
1 368 . 7 1 1 A 42 42 GLY CA C 42 45.853 45.584 0.269 1
1 369 . 7 1 1 A 42 42 GLY HA2 H 42 3.616 3.977 -0.361 1
1 370 . 7 1 1 A 42 42 GLY HA3 H 42 3.761 4.013 -0.252 1
1 371 . 7 1 1 A 42 42 GLY C C 42 172.178 173.619 -1.441 1
1 372 . 7 1 1 A 43 43 GLY N N 43 105.505 107.694 -2.189 1
1 373 . 7 1 1 A 43 43 GLY H H 43 7.422 7.450 -0.028 1
1 374 . 7 1 1 A 43 43 GLY CA C 43 44.382 45.754 -1.372 1
1 375 . 7 1 1 A 43 43 GLY HA2 H 43 3.420 3.870 -0.450 1
1 376 . 7 1 1 A 43 43 GLY HA3 H 43 4.295 3.971 0.324 1
1 377 . 7 1 1 A 43 43 GLY C C 43 172.885 171.665 1.220 1
1 378 . 7 1 1 A 44 44 LEU N N 44 125.007 124.683 0.324 1
1 379 . 7 1 1 A 44 44 LEU H H 44 8.525 8.599 -0.074 1
1 380 . 7 1 1 A 44 44 LEU CA C 44 53.589 54.412 -0.823 1
1 381 . 7 1 1 A 44 44 LEU HA H 44 5.357 5.023 0.334 1
1 382 . 7 1 1 A 44 44 LEU CB C 44 45.602 45.091 0.511 1
1 395 . 7 1 1 A 44 44 LEU C C 44 177.034 175.382 1.652 1
1 396 . 7 1 1 A 45 45 SER N N 45 117.626 121.644 -4.018 1
1 397 . 7 1 1 A 45 45 SER H H 45 9.010 9.181 -0.171 1
1 398 . 7 1 1 A 45 45 SER CA C 45 57.065 57.834 -0.769 1
1 399 . 7 1 1 A 45 45 SER HA H 45 4.660 5.151 -0.491 1
1 400 . 7 1 1 A 45 45 SER CB C 45 65.309 64.289 1.020 1
1 403 . 7 1 1 A 45 45 SER C C 45 172.724 173.778 -1.054 1
1 404 . 7 1 1 A 46 46 ILE N N 46 125.604 128.157 -2.553 1
1 405 . 7 1 1 A 46 46 ILE H H 46 8.584 9.135 -0.551 1
1 406 . 7 1 1 A 46 46 ILE CA C 46 59.369 60.012 -0.643 1
1 407 . 7 1 1 A 46 46 ILE HA H 46 5.182 5.089 0.093 1
1 408 . 7 1 1 A 46 46 ILE CB C 46 40.879 40.431 0.448 1
1 421 . 7 1 1 A 46 46 ILE C C 46 174.318 174.606 -0.288 1
1 422 . 7 1 1 A 47 47 ALA N N 47 128.948 129.024 -0.076 1
1 423 . 7 1 1 A 47 47 ALA H H 47 8.762 8.805 -0.043 1
1 424 . 7 1 1 A 47 47 ALA CA C 47 51.123 50.781 0.342 1
1 425 . 7 1 1 A 47 47 ALA HA H 47 4.724 5.172 -0.448 1
1 426 . 7 1 1 A 47 47 ALA CB C 47 22.575 21.443 1.132 1
1 430 . 7 1 1 A 47 47 ALA C C 47 175.131 175.533 -0.402 1
1 431 . 7 1 1 A 48 48 VAL N N 48 121.512 123.645 -2.133 1
1 432 . 7 1 1 A 48 48 VAL H H 48 8.640 9.123 -0.483 1
1 433 . 7 1 1 A 48 48 VAL CA C 48 61.770 62.008 -0.238 1
1 434 . 7 1 1 A 48 48 VAL HA H 48 4.749 4.485 0.264 1
1 435 . 7 1 1 A 48 48 VAL CB C 48 33.642 31.897 1.745 1
1 445 . 7 1 1 A 48 48 VAL C C 48 174.870 175.513 -0.643 1
1 446 . 7 1 1 A 49 49 GLU N N 49 126.757 126.758 -0.001 1
1 447 . 7 1 1 A 49 49 GLU H H 49 8.898 8.873 0.025 1
1 448 . 7 1 1 A 49 49 GLU CA C 49 54.457 54.873 -0.416 1
1 449 . 7 1 1 A 49 49 GLU HA H 49 5.003 5.157 -0.154 1
1 450 . 7 1 1 A 49 49 GLU CB C 49 33.209 32.202 1.007 1
1 456 . 7 1 1 A 49 49 GLU C C 49 175.282 176.050 -0.768 1
1 457 . 7 1 1 A 50 50 GLY N N 50 112.668 111.375 1.293 1
1 458 . 7 1 1 A 50 50 GLY H H 50 8.563 8.591 -0.028 1
1 459 . 7 1 1 A 50 50 GLY CA C 50 45.534 44.444 1.090 1
1 460 . 7 1 1 A 50 50 GLY HA2 H 50 3.481 3.555 -0.074 1
1 461 . 7 1 1 A 50 50 GLY HA3 H 50 3.836 4.016 -0.180 1
1 462 . 7 1 1 A 50 50 GLY C C 50 171.670 174.215 -2.545 1
1 463 . 7 1 1 A 51 51 PRO CA C 51 64.371 63.964 0.407 1
1 464 . 7 1 1 A 51 51 PRO HA H 51 4.309 4.364 -0.055 1
1 465 . 7 1 1 A 51 51 PRO CB C 51 32.183 31.761 0.422 1
1 474 . 7 1 1 A 51 51 PRO C C 51 175.938 176.060 -0.122 1
1 475 . 7 1 1 A 52 52 SER N N 52 109.776 114.424 -4.648 1
1 476 . 7 1 1 A 52 52 SER H H 52 7.281 7.524 -0.243 1
1 477 . 7 1 1 A 52 52 SER CA C 52 56.747 57.583 -0.836 1
1 478 . 7 1 1 A 52 52 SER HA H 52 4.688 4.862 -0.174 1
1 479 . 7 1 1 A 52 52 SER CB C 52 65.901 67.679 -1.778 1
1 482 . 7 1 1 A 52 52 SER C C 52 172.748 173.182 -0.434 1
1 483 . 7 1 1 A 53 53 LYS N N 53 121.441 124.987 -3.546 1
1 484 . 7 1 1 A 53 53 LYS H H 53 8.607 8.470 0.137 1
1 485 . 7 1 1 A 53 53 LYS CA C 53 56.641 57.439 -0.798 1
1 486 . 7 1 1 A 53 53 LYS HA H 53 4.391 4.281 0.110 1
1 487 . 7 1 1 A 53 53 LYS CB C 53 32.323 33.353 -1.030 1
1 499 . 7 1 1 A 53 53 LYS C C 53 175.721 175.875 -0.154 1
1 500 . 7 1 1 A 54 54 ALA N N 54 129.914 128.829 1.085 1
1 501 . 7 1 1 A 54 54 ALA H H 54 8.941 8.631 0.310 1
1 502 . 7 1 1 A 54 54 ALA CA C 54 50.924 50.194 0.730 1
1 503 . 7 1 1 A 54 54 ALA HA H 54 4.962 5.196 -0.234 1
1 504 . 7 1 1 A 54 54 ALA CB C 54 20.004 22.837 -2.833 1
1 508 . 7 1 1 A 54 54 ALA C C 54 176.618 175.159 1.459 1
1 509 . 7 1 1 A 55 55 GLU N N 55 122.179 121.639 0.540 1
1 510 . 7 1 1 A 55 55 GLU H H 55 8.153 8.667 -0.514 1
1 511 . 7 1 1 A 55 55 GLU CA C 55 55.689 55.797 -0.108 1
1 512 . 7 1 1 A 55 55 GLU HA H 55 4.569 4.876 -0.307 1
1 513 . 7 1 1 A 55 55 GLU CB C 55 31.003 31.177 -0.174 1
1 519 . 7 1 1 A 55 55 GLU C C 55 176.867 175.220 1.647 1
1 520 . 7 1 1 A 56 56 ILE N N 56 127.733 125.910 1.823 1
1 521 . 7 1 1 A 56 56 ILE H H 56 8.948 8.591 0.357 1
1 522 . 7 1 1 A 56 56 ILE CA C 56 61.345 60.211 1.134 1
1 523 . 7 1 1 A 56 56 ILE HA H 56 4.744 5.179 -0.435 1
1 524 . 7 1 1 A 56 56 ILE CB C 56 40.978 42.200 -1.222 1
1 537 . 7 1 1 A 56 56 ILE C C 56 175.675 174.946 0.729 1
1 538 . 7 1 1 A 57 57 THR N N 57 124.172 122.919 1.253 1
1 539 . 7 1 1 A 57 57 THR H H 57 9.410 8.814 0.596 1
1 540 . 7 1 1 A 57 57 THR CA C 57 61.999 61.103 0.896 1
1 541 . 7 1 1 A 57 57 THR HA H 57 4.504 5.071 -0.567 1
1 542 . 7 1 1 A 57 57 THR CB C 57 70.660 71.317 -0.657 1
1 548 . 7 1 1 A 57 57 THR C C 57 172.131 172.938 -0.807 1
1 549 . 7 1 1 A 58 58 PHE N N 58 126.429 127.103 -0.674 1
1 550 . 7 1 1 A 58 58 PHE H H 58 8.796 9.006 -0.210 1
1 551 . 7 1 1 A 58 58 PHE CA C 58 56.680 56.628 0.052 1
1 552 . 7 1 1 A 58 58 PHE HA H 58 4.981 5.181 -0.200 1
1 553 . 7 1 1 A 58 58 PHE CB C 58 42.400 42.382 0.018 1
1 566 . 7 1 1 A 58 58 PHE C C 58 173.719 173.218 0.501 1
1 567 . 7 1 1 A 59 59 ASP N N 59 126.210 126.017 0.193 1
1 568 . 7 1 1 A 59 59 ASP H H 59 8.707 8.953 -0.246 1
1 569 . 7 1 1 A 59 59 ASP CA C 59 52.784 53.469 -0.685 1
1 570 . 7 1 1 A 59 59 ASP HA H 59 4.677 5.156 -0.479 1
1 571 . 7 1 1 A 59 59 ASP CB C 59 42.738 42.945 -0.207 1
1 574 . 7 1 1 A 59 59 ASP C C 59 173.710 173.845 -0.135 1
1 575 . 7 1 1 A 60 60 ASP N N 60 123.675 125.631 -1.956 1
1 576 . 7 1 1 A 60 60 ASP H H 60 8.490 8.740 -0.250 1
1 577 . 7 1 1 A 60 60 ASP CA C 60 53.871 52.597 1.274 1
1 578 . 7 1 1 A 60 60 ASP HA H 60 4.447 4.964 -0.517 1
1 579 . 7 1 1 A 60 60 ASP CB C 60 41.108 41.648 -0.540 1
1 582 . 7 1 1 A 60 60 ASP C C 60 176.691 175.206 1.485 1
1 583 . 7 1 1 A 61 61 HIS N N 61 124.385 123.002 1.383 1
1 584 . 7 1 1 A 61 61 HIS H H 61 8.122 8.687 -0.565 1
1 585 . 7 1 1 A 61 61 HIS CA C 61 55.608 57.951 -2.343 1
1 586 . 7 1 1 A 61 61 HIS HA H 61 4.769 4.539 0.230 1
1 587 . 7 1 1 A 61 61 HIS CB C 61 28.607 30.925 -2.318 1
1 594 . 7 1 1 A 61 61 HIS C C 61 175.701 176.360 -0.659 1
1 595 . 7 1 1 A 62 62 LYS N N 62 115.195 115.101 0.094 1
1 596 . 7 1 1 A 62 62 LYS H H 62 9.178 8.263 0.915 1
1 597 . 7 1 1 A 62 62 LYS CA C 62 57.585 57.054 0.531 1
1 598 . 7 1 1 A 62 62 LYS HA H 62 4.028 4.391 -0.363 1
1 599 . 7 1 1 A 62 62 LYS CB C 62 29.373 35.059 -5.686 1
1 611 . 7 1 1 A 63 63 ASN N N 63 116.167 114.060 2.107 1
1 612 . 7 1 1 A 63 63 ASN H H 63 7.900 8.072 -0.172 1
1 613 . 7 1 1 A 63 63 ASN CA C 63 52.056 52.465 -0.409 1
1 614 . 7 1 1 A 63 63 ASN HA H 63 4.835 4.988 -0.153 1
1 615 . 7 1 1 A 63 63 ASN CB C 63 38.468 38.800 -0.332 1
1 621 . 7 1 1 A 63 63 ASN C C 63 176.634 174.990 1.644 1
1 622 . 7 1 1 A 64 64 GLY N N 64 108.877 109.192 -0.315 1
1 623 . 7 1 1 A 64 64 GLY H H 64 8.718 8.016 0.702 1
1 624 . 7 1 1 A 64 64 GLY CA C 64 45.534 47.165 -1.631 1
1 625 . 7 1 1 A 64 64 GLY HA2 H 64 3.619 3.929 -0.310 1
1 626 . 7 1 1 A 64 64 GLY HA3 H 64 4.247 3.980 0.267 1
1 627 . 7 1 1 A 65 65 SER N N 65 115.229 113.357 1.872 1
1 628 . 7 1 1 A 65 65 SER H H 65 7.962 8.056 -0.094 1
1 629 . 7 1 1 A 65 65 SER CA C 65 57.108 62.571 -5.463 1
1 630 . 7 1 1 A 65 65 SER HA H 65 5.531 4.067 1.464 1
1 631 . 7 1 1 A 65 65 SER CB C 65 67.290 62.391 4.899 1
1 634 . 7 1 1 A 66 66 CYS N N 66 118.007 119.914 -1.907 1
1 635 . 7 1 1 A 66 66 CYS H H 66 8.807 7.828 0.979 1
1 636 . 7 1 1 A 66 66 CYS CA C 66 56.476 61.596 -5.120 1
1 637 . 7 1 1 A 66 66 CYS HA H 66 4.672 4.059 0.613 1
1 638 . 7 1 1 A 66 66 CYS CB C 66 31.077 28.054 3.023 1
1 641 . 7 1 1 A 67 67 GLY N N 67 112.448 107.075 5.373 1
1 642 . 7 1 1 A 67 67 GLY H H 67 8.679 7.609 1.070 1
1 643 . 7 1 1 A 67 67 GLY CA C 67 45.004 44.560 0.444 1
1 644 . 7 1 1 A 67 67 GLY HA2 H 67 3.629 3.706 -0.077 1
1 645 . 7 1 1 A 67 67 GLY HA3 H 67 4.645 3.725 0.920 1
1 646 . 7 1 1 A 67 67 GLY C C 67 171.754 172.647 -0.893 1
1 647 . 7 1 1 A 68 68 VAL N N 68 123.840 121.022 2.818 1
1 648 . 7 1 1 A 68 68 VAL H H 68 8.486 7.069 1.417 1
1 649 . 7 1 1 A 68 68 VAL CA C 68 60.143 60.702 -0.559 1
1 650 . 7 1 1 A 68 68 VAL HA H 68 4.579 4.257 0.322 1
1 651 . 7 1 1 A 68 68 VAL CB C 68 33.946 33.459 0.487 1
1 661 . 7 1 1 A 68 68 VAL C C 68 174.396 174.610 -0.214 1
1 662 . 7 1 1 A 69 69 SER N N 69 119.414 121.580 -2.166 1
1 663 . 7 1 1 A 69 69 SER H H 69 8.450 8.536 -0.086 1
1 664 . 7 1 1 A 69 69 SER CA C 69 56.169 55.920 0.249 1
1 665 . 7 1 1 A 69 69 SER HA H 69 5.442 5.391 0.051 1
1 666 . 7 1 1 A 69 69 SER CB C 69 65.640 65.879 -0.239 1
1 669 . 7 1 1 A 69 69 SER C C 69 173.189 173.690 -0.501 1
1 670 . 7 1 1 A 70 70 TYR N N 70 119.504 117.846 1.658 1
1 671 . 7 1 1 A 70 70 TYR H H 70 8.771 8.750 0.021 1
1 672 . 7 1 1 A 70 70 TYR CA C 70 54.962 55.762 -0.800 1
1 673 . 7 1 1 A 70 70 TYR HA H 70 5.922 5.816 0.106 1
1 674 . 7 1 1 A 70 70 TYR CB C 70 42.710 42.289 0.421 1
1 685 . 7 1 1 A 70 70 TYR C C 70 173.056 173.365 -0.309 1
1 686 . 7 1 1 A 71 71 ILE N N 71 117.727 122.083 -4.356 1
1 687 . 7 1 1 A 71 71 ILE H H 71 8.196 8.739 -0.543 1
1 688 . 7 1 1 A 71 71 ILE CA C 71 60.132 59.706 0.426 1
1 689 . 7 1 1 A 71 71 ILE HA H 71 4.161 4.572 -0.411 1
1 690 . 7 1 1 A 71 71 ILE CB C 71 40.790 41.892 -1.102 1
1 703 . 7 1 1 A 71 71 ILE C C 71 175.114 174.697 0.417 1
1 704 . 7 1 1 A 72 72 ALA N N 72 133.145 128.576 4.569 1
1 705 . 7 1 1 A 72 72 ALA H H 72 9.466 8.395 1.071 1
1 706 . 7 1 1 A 72 72 ALA CA C 72 50.261 50.469 -0.208 1
1 707 . 7 1 1 A 72 72 ALA HA H 72 4.567 4.564 0.003 1
1 708 . 7 1 1 A 72 72 ALA CB C 72 19.699 19.894 -0.195 1
1 712 . 7 1 1 A 72 72 ALA C C 72 177.170 177.821 -0.651 1
1 713 . 7 1 1 A 73 73 GLN N N 73 120.464 124.556 -4.092 1
1 714 . 7 1 1 A 73 73 GLN H H 73 8.649 8.599 0.050 1
1 715 . 7 1 1 A 73 73 GLN CA C 73 57.614 58.907 -1.293 1
1 716 . 7 1 1 A 73 73 GLN HA H 73 4.083 4.104 -0.021 1
1 717 . 7 1 1 A 73 73 GLN CB C 73 29.667 28.874 0.793 1
1 726 . 7 1 1 A 73 73 GLN C C 73 175.643 176.478 -0.835 1
1 727 . 7 1 1 A 74 74 GLU N N 74 114.557 117.809 -3.252 1
1 728 . 7 1 1 A 74 74 GLU H H 74 7.102 8.195 -1.093 1
1 729 . 7 1 1 A 74 74 GLU CA C 74 52.242 52.908 -0.666 1
1 730 . 7 1 1 A 74 74 GLU HA H 74 4.988 4.787 0.201 1
1 731 . 7 1 1 A 74 74 GLU CB C 74 31.732 30.753 0.979 1
1 737 . 7 1 1 A 74 74 GLU C C 74 174.462 174.070 0.392 1
1 738 . 7 1 1 A 75 75 PRO CA C 75 63.007 63.385 -0.378 1
1 739 . 7 1 1 A 75 75 PRO HA H 75 4.335 4.631 -0.296 1
1 740 . 7 1 1 A 75 75 PRO CB C 75 32.866 32.950 -0.084 1
1 749 . 7 1 1 A 75 75 PRO C C 75 174.572 175.923 -1.351 1
1 750 . 7 1 1 A 76 76 GLY N N 76 107.234 107.892 -0.658 1
1 751 . 7 1 1 A 76 76 GLY H H 76 9.012 8.652 0.360 1
1 752 . 7 1 1 A 76 76 GLY CA C 76 44.615 44.675 -0.060 1
1 753 . 7 1 1 A 76 76 GLY HA2 H 76 3.850 4.162 -0.312 1
1 754 . 7 1 1 A 76 76 GLY HA3 H 76 4.201 4.201 0.000 1
1 755 . 7 1 1 A 76 76 GLY C C 76 171.133 172.117 -0.984 1
1 756 . 7 1 1 A 77 77 ASN N N 77 119.292 118.863 0.429 1
1 757 . 7 1 1 A 77 77 ASN H H 77 8.549 8.407 0.142 1
1 758 . 7 1 1 A 77 77 ASN CA C 77 52.364 53.046 -0.682 1
1 759 . 7 1 1 A 77 77 ASN HA H 77 5.369 5.153 0.216 1
1 760 . 7 1 1 A 77 77 ASN CB C 77 39.176 39.247 -0.071 1
1 766 . 7 1 1 A 77 77 ASN C C 77 174.470 173.853 0.617 1
1 767 . 7 1 1 A 78 78 TYR N N 78 123.809 124.391 -0.582 1
1 768 . 7 1 1 A 78 78 TYR H H 78 9.094 9.024 0.070 1
1 769 . 7 1 1 A 78 78 TYR CA C 78 56.818 57.035 -0.217 1
1 770 . 7 1 1 A 78 78 TYR HA H 78 4.859 5.061 -0.202 1
1 771 . 7 1 1 A 78 78 TYR CB C 78 39.860 39.217 0.643 1
1 782 . 7 1 1 A 78 78 TYR C C 78 174.184 174.787 -0.603 1
1 783 . 7 1 1 A 79 79 GLU N N 79 122.250 125.728 -3.478 1
1 784 . 7 1 1 A 79 79 GLU H H 79 9.259 8.767 0.492 1
1 785 . 7 1 1 A 79 79 GLU CA C 79 54.692 56.158 -1.466 1
1 786 . 7 1 1 A 79 79 GLU HA H 79 5.313 4.983 0.330 1
1 787 . 7 1 1 A 79 79 GLU CB C 79 32.159 30.434 1.725 1
1 793 . 7 1 1 A 79 79 GLU C C 79 176.631 175.443 1.188 1
1 794 . 7 1 1 A 80 80 VAL N N 80 131.418 128.683 2.735 1
1 795 . 7 1 1 A 80 80 VAL H H 80 9.761 8.777 0.984 1
1 796 . 7 1 1 A 80 80 VAL CA C 80 61.522 61.203 0.319 1
1 797 . 7 1 1 A 80 80 VAL HA H 80 4.801 4.816 -0.015 1
1 798 . 7 1 1 A 80 80 VAL CB C 80 32.818 32.839 -0.021 1
1 808 . 7 1 1 A 80 80 VAL C C 80 175.573 174.656 0.917 1
1 809 . 7 1 1 A 81 81 SER N N 81 123.238 122.542 0.696 1
1 810 . 7 1 1 A 81 81 SER H H 81 9.457 9.143 0.314 1
1 811 . 7 1 1 A 81 81 SER CA C 81 57.589 56.750 0.839 1
1 812 . 7 1 1 A 81 81 SER HA H 81 5.167 5.030 0.137 1
1 813 . 7 1 1 A 81 81 SER CB C 81 64.882 64.260 0.622 1
1 816 . 7 1 1 A 81 81 SER C C 81 173.514 173.649 -0.135 1
1 817 . 7 1 1 A 82 82 ILE N N 82 126.261 128.838 -2.577 1
1 818 . 7 1 1 A 82 82 ILE H H 82 9.642 9.425 0.217 1
1 819 . 7 1 1 A 82 82 ILE CA C 82 60.992 60.200 0.792 1
1 820 . 7 1 1 A 82 82 ILE HA H 82 4.667 5.191 -0.524 1
1 821 . 7 1 1 A 82 82 ILE CB C 82 40.692 39.499 1.193 1
1 834 . 7 1 1 A 82 82 ILE C C 82 173.498 174.976 -1.478 1
1 835 . 7 1 1 A 83 83 LYS N N 83 123.477 127.543 -4.066 1
1 836 . 7 1 1 A 83 83 LYS H H 83 8.720 9.260 -0.540 1
1 837 . 7 1 1 A 83 83 LYS CA C 83 53.730 54.895 -1.165 1
1 838 . 7 1 1 A 83 83 LYS HA H 83 5.139 5.009 0.130 1
1 839 . 7 1 1 A 83 83 LYS CB C 83 36.351 34.663 1.688 1
1 851 . 7 1 1 A 83 83 LYS C C 83 174.914 174.362 0.552 1
1 852 . 7 1 1 A 84 84 PHE N N 84 122.298 126.200 -3.902 1
1 853 . 7 1 1 A 84 84 PHE H H 84 9.154 9.199 -0.045 1
1 854 . 7 1 1 A 84 84 PHE CA C 84 56.057 57.517 -1.460 1
1 855 . 7 1 1 A 84 84 PHE HA H 84 5.238 4.833 0.405 1
1 856 . 7 1 1 A 84 84 PHE CB C 84 43.136 41.159 1.977 1
1 867 . 7 1 1 A 84 84 PHE C C 84 175.864 175.123 0.741 1
1 868 . 7 1 1 A 85 85 ASN N N 85 127.936 124.767 3.169 1
1 869 . 7 1 1 A 85 85 ASN H H 85 9.040 9.154 -0.114 1
1 870 . 7 1 1 A 85 85 ASN CA C 85 54.448 54.334 0.114 1
1 871 . 7 1 1 A 85 85 ASN HA H 85 4.206 4.160 0.046 1
1 872 . 7 1 1 A 85 85 ASN CB C 85 36.554 36.451 0.103 1
1 878 . 7 1 1 A 85 85 ASN C C 85 174.620 174.065 0.555 1
1 879 . 7 1 1 A 86 86 ASP N N 86 108.763 109.932 -1.169 1
1 880 . 7 1 1 A 86 86 ASP H H 86 8.828 8.482 0.346 1
1 881 . 7 1 1 A 86 86 ASP CA C 86 56.405 55.490 0.915 1
1 882 . 7 1 1 A 86 86 ASP HA H 86 3.946 4.233 -0.287 1
1 883 . 7 1 1 A 86 86 ASP CB C 86 40.367 39.069 1.298 1
1 886 . 7 1 1 A 86 86 ASP C C 86 174.169 174.566 -0.397 1
1 887 . 7 1 1 A 87 87 GLU N N 87 119.289 117.146 2.143 1
1 888 . 7 1 1 A 87 87 GLU H H 87 7.510 7.598 -0.088 1
1 889 . 7 1 1 A 87 87 GLU CA C 87 54.483 54.700 -0.217 1
1 890 . 7 1 1 A 87 87 GLU HA H 87 4.743 4.878 -0.135 1
1 891 . 7 1 1 A 87 87 GLU CB C 87 32.763 33.771 -1.008 1
1 897 . 7 1 1 A 87 87 GLU C C 87 175.825 175.362 0.463 1
1 898 . 7 1 1 A 88 88 HIS N N 88 123.465 120.446 3.019 1
1 899 . 7 1 1 A 88 88 HIS H H 88 8.822 9.297 -0.475 1
1 900 . 7 1 1 A 88 88 HIS CA C 88 59.117 55.377 3.740 1
1 901 . 7 1 1 A 88 88 HIS HA H 88 4.511 5.009 -0.498 1
1 902 . 7 1 1 A 88 88 HIS CB C 88 32.254 29.746 2.508 1
1 909 . 7 1 1 A 88 88 HIS C C 88 177.352 175.606 1.746 1
1 910 . 7 1 1 A 89 89 ILE N N 89 117.945 123.157 -5.212 1
1 911 . 7 1 1 A 89 89 ILE H H 89 8.131 8.447 -0.316 1
1 912 . 7 1 1 A 89 89 ILE CA C 89 61.121 60.020 1.101 1
1 913 . 7 1 1 A 89 89 ILE HA H 89 4.519 4.468 0.051 1
1 914 . 7 1 1 A 89 89 ILE CB C 89 35.538 37.671 -2.133 1
1 927 . 7 1 1 A 89 89 ILE C C 89 173.831 176.834 -3.003 1
1 928 . 7 1 1 A 90 90 PRO CA C 90 66.545 64.299 2.246 1
1 929 . 7 1 1 A 90 90 PRO HA H 90 4.223 4.551 -0.328 1
1 930 . 7 1 1 A 90 90 PRO CB C 90 31.693 31.568 0.125 1
1 939 . 7 1 1 A 90 90 PRO C C 90 177.046 176.589 0.457 1
1 940 . 7 1 1 A 91 91 GLU N N 91 113.835 117.072 -3.237 1
1 941 . 7 1 1 A 91 91 GLU H H 91 8.223 8.179 0.044 1
1 942 . 7 1 1 A 91 91 GLU CA C 91 57.913 56.383 1.530 1
1 943 . 7 1 1 A 91 91 GLU HA H 91 3.733 4.383 -0.650 1
1 944 . 7 1 1 A 91 91 GLU CB C 91 27.681 31.252 -3.571 1
1 950 . 7 1 1 A 91 91 GLU C C 91 173.469 175.761 -2.292 1
1 951 . 7 1 1 A 92 92 SER N N 92 111.462 112.940 -1.478 1
1 952 . 7 1 1 A 92 92 SER H H 92 7.489 7.563 -0.074 1
1 953 . 7 1 1 A 92 92 SER CA C 92 54.873 55.120 -0.247 1
1 954 . 7 1 1 A 92 92 SER HA H 92 4.427 4.478 -0.051 1
1 955 . 7 1 1 A 92 92 SER CB C 92 63.317 64.509 -1.192 1
1 958 . 7 1 1 A 92 92 SER C C 92 174.195 172.764 1.431 1
1 959 . 7 1 1 A 93 93 PRO CA C 93 62.333 62.454 -0.121 1
1 960 . 7 1 1 A 93 93 PRO HA H 93 5.483 4.724 0.759 1
1 961 . 7 1 1 A 93 93 PRO CB C 93 34.386 32.995 1.391 1
1 970 . 7 1 1 A 93 93 PRO C C 93 176.059 174.744 1.315 1
1 971 . 7 1 1 A 94 94 TYR N N 94 122.179 119.011 3.168 1
1 972 . 7 1 1 A 94 94 TYR H H 94 9.372 8.911 0.461 1
1 973 . 7 1 1 A 94 94 TYR CA C 94 57.101 56.547 0.554 1
1 974 . 7 1 1 A 94 94 TYR HA H 94 4.531 5.127 -0.596 1
1 975 . 7 1 1 A 94 94 TYR CB C 94 40.027 42.607 -2.580 1
1 986 . 7 1 1 A 94 94 TYR C C 94 175.281 174.217 1.064 1
1 987 . 7 1 1 A 95 95 LEU N N 95 126.428 124.308 2.120 1
1 988 . 7 1 1 A 95 95 LEU H H 95 8.807 8.783 0.024 1
1 989 . 7 1 1 A 95 95 LEU CA C 95 54.200 53.705 0.495 1
1 990 . 7 1 1 A 95 95 LEU HA H 95 4.981 5.140 -0.159 1
1 991 . 7 1 1 A 95 95 LEU CB C 95 41.894 44.671 -2.777 1
1 1004 . 7 1 1 A 95 95 LEU C C 95 176.295 174.472 1.823 1
1 1005 . 7 1 1 A 96 96 VAL N N 96 130.944 127.615 3.329 1
1 1006 . 7 1 1 A 96 96 VAL H H 96 9.629 8.725 0.904 1
1 1007 . 7 1 1 A 96 96 VAL CA C 96 59.813 59.477 0.336 1
1 1008 . 7 1 1 A 96 96 VAL HA H 96 4.469 4.595 -0.126 1
1 1009 . 7 1 1 A 96 96 VAL CB C 96 35.052 33.123 1.929 1
1 1019 . 7 1 1 A 96 96 VAL C C 96 173.734 174.759 -1.025 1
1 1020 . 7 1 1 A 97 97 PRO CA C 97 62.379 62.377 0.002 1
1 1021 . 7 1 1 A 97 97 PRO HA H 97 5.016 4.970 0.046 1
1 1022 . 7 1 1 A 97 97 PRO CB C 97 32.163 29.815 2.348 1
1 1031 . 7 1 1 A 97 97 PRO C C 97 175.950 176.380 -0.430 1
1 1032 . 7 1 1 A 98 98 VAL N N 98 125.524 123.822 1.702 1
1 1033 . 7 1 1 A 98 98 VAL H H 98 9.196 8.763 0.433 1
1 1034 . 7 1 1 A 98 98 VAL CA C 98 61.345 62.896 -1.551 1
1 1035 . 7 1 1 A 98 98 VAL HA H 98 4.411 4.816 -0.405 1
1 1036 . 7 1 1 A 98 98 VAL CB C 98 32.037 32.217 -0.180 1
1 1046 . 7 1 1 A 98 98 VAL C C 98 176.996 175.842 1.154 1
1 1047 . 7 1 1 A 99 99 ILE N N 99 124.035 120.926 3.109 1
1 1048 . 7 1 1 A 99 99 ILE H H 99 8.392 8.531 -0.139 1
1 1049 . 7 1 1 A 99 99 ILE CA C 99 59.802 58.942 0.860 1
1 1050 . 7 1 1 A 99 99 ILE HA H 99 4.651 4.919 -0.268 1
1 1051 . 7 1 1 A 99 99 ILE CB C 99 40.609 42.117 -1.508 1
1 1064 . 7 1 1 A 99 99 ILE C C 99 175.482 174.537 0.945 1
1 1065 . 7 1 1 A 100 100 ALA N N 100 125.837 125.297 0.540 1
1 1066 . 7 1 1 A 100 100 ALA H H 100 8.714 8.605 0.109 1
1 1067 . 7 1 1 A 100 100 ALA CA C 100 50.416 50.142 0.274 1
1 1068 . 7 1 1 A 100 100 ALA HA H 100 4.603 4.482 0.121 1
1 1069 . 7 1 1 A 100 100 ALA CB C 100 18.088 19.648 -1.560 1
1 1073 . 7 1 1 A 100 100 ALA C C 100 175.264 176.498 -1.234 1
1 1074 . 7 1 1 A 101 101 PRO CA C 101 63.104 62.821 0.283 1
1 1075 . 7 1 1 A 101 101 PRO HA H 101 4.483 4.574 -0.091 1
1 1076 . 7 1 1 A 101 101 PRO CB C 101 32.222 31.563 0.659 1
1 1085 . 7 1 1 A 101 101 PRO C C 101 176.976 177.135 -0.159 1
1 1086 . 7 1 1 A 102 102 SER N N 102 116.530 116.720 -0.190 1
1 1087 . 7 1 1 A 102 102 SER H H 102 8.527 8.465 0.062 1
1 1088 . 7 1 1 A 102 102 SER CA C 102 58.283 58.824 -0.541 1
1 1089 . 7 1 1 A 102 102 SER HA H 102 4.433 4.443 -0.010 1
1 1090 . 7 1 1 A 102 102 SER CB C 102 64.078 63.024 1.054 1
1 1093 . 7 1 1 A 102 102 SER C C 102 174.510 173.511 0.999 1
1 1094 . 7 1 1 A 103 103 ASP N N 103 123.018 126.949 -3.931 1
1 1095 . 7 1 1 A 103 103 ASP H H 103 8.450 8.813 -0.363 1
1 1096 . 7 1 1 A 103 103 ASP CA C 103 54.431 53.979 0.452 1
1 1097 . 7 1 1 A 103 103 ASP HA H 103 4.654 4.681 -0.027 1
1 1098 . 7 1 1 A 103 103 ASP CB C 103 41.226 40.900 0.326 1
1 1101 . 7 1 1 A 103 103 ASP C C 103 175.889 174.799 1.090 1
1 1102 . 7 1 1 A 104 104 ASP N N 104 120.896 126.314 -5.418 1
1 1103 . 7 1 1 A 104 104 ASP H H 104 8.264 8.295 -0.031 1
1 1104 . 7 1 1 A 104 104 ASP CA C 104 54.283 53.375 0.908 1
1 1105 . 7 1 1 A 104 104 ASP HA H 104 4.601 5.304 -0.703 1
1 1106 . 7 1 1 A 104 104 ASP CB C 104 41.183 42.137 -0.954 1
1 1109 . 7 1 1 A 104 104 ASP C C 104 175.065 175.466 -0.401 1
1 1 . 8 1 1 A 7 7 GLY N N 7 110.767 113.855 -3.088 1
1 2 . 8 1 1 A 7 7 GLY H H 7 8.421 8.226 0.195 1
1 3 . 8 1 1 A 7 7 GLY CA C 7 45.393 45.775 -0.382 1
1 4 . 8 1 1 A 7 7 GLY HA2 H 7 4.003 4.127 -0.124 1
1 5 . 8 1 1 A 7 7 GLY HA3 H 7 4.003 4.128 -0.125 1
1 6 . 8 1 1 A 7 7 GLY C C 7 174.160 174.794 -0.634 1
1 7 . 8 1 1 A 8 8 GLU N N 8 120.419 117.957 2.462 1
1 8 . 8 1 1 A 8 8 GLU H H 8 8.320 8.011 0.309 1
1 9 . 8 1 1 A 8 8 GLU CA C 8 56.499 56.160 0.339 1
1 10 . 8 1 1 A 8 8 GLU HA H 8 4.390 4.695 -0.305 1
1 11 . 8 1 1 A 8 8 GLU CB C 8 30.615 30.581 0.034 1
1 17 . 8 1 1 A 8 8 GLU C C 8 176.858 176.105 0.753 1
1 18 . 8 1 1 A 9 9 GLY N N 9 109.731 108.744 0.987 1
1 19 . 8 1 1 A 9 9 GLY H H 9 8.522 8.588 -0.066 1
1 20 . 8 1 1 A 9 9 GLY CA C 9 45.110 44.442 0.668 1
1 21 . 8 1 1 A 9 9 GLY HA2 H 9 4.090 4.070 0.020 1
1 22 . 8 1 1 A 9 9 GLY HA3 H 9 3.931 4.138 -0.207 1
1 23 . 8 1 1 A 9 9 GLY C C 9 173.933 173.592 0.341 1
1 24 . 8 1 1 A 10 10 GLY N N 10 107.139 108.167 -1.028 1
1 25 . 8 1 1 A 10 10 GLY H H 10 8.393 8.479 -0.086 1
1 26 . 8 1 1 A 10 10 GLY CA C 10 45.039 44.565 0.474 1
1 27 . 8 1 1 A 10 10 GLY HA2 H 10 3.868 4.245 -0.377 1
1 28 . 8 1 1 A 10 10 GLY HA3 H 10 4.528 4.319 0.209 1
1 29 . 8 1 1 A 10 10 GLY C C 10 174.561 175.064 -0.503 1
1 30 . 8 1 1 A 11 11 ALA N N 11 122.466 124.675 -2.209 1
1 31 . 8 1 1 A 11 11 ALA H H 11 8.875 8.960 -0.085 1
1 32 . 8 1 1 A 11 11 ALA CA C 11 55.391 55.065 0.326 1
1 33 . 8 1 1 A 11 11 ALA HA H 11 3.803 3.864 -0.061 1
1 34 . 8 1 1 A 11 11 ALA CB C 11 19.583 18.562 1.021 1
1 38 . 8 1 1 A 11 11 ALA C C 11 178.242 179.640 -1.398 1
1 39 . 8 1 1 A 12 12 HIS N N 12 111.513 115.655 -4.142 1
1 40 . 8 1 1 A 12 12 HIS H H 12 8.290 8.333 -0.043 1
1 41 . 8 1 1 A 12 12 HIS CA C 12 57.847 59.276 -1.429 1
1 42 . 8 1 1 A 12 12 HIS HA H 12 4.443 4.287 0.156 1
1 43 . 8 1 1 A 12 12 HIS CB C 12 29.321 28.542 0.779 1
1 50 . 8 1 1 A 12 12 HIS C C 12 176.189 177.906 -1.717 1
1 51 . 8 1 1 A 13 13 LYS N N 13 118.111 120.179 -2.068 1
1 52 . 8 1 1 A 13 13 LYS H H 13 7.558 7.310 0.248 1
1 53 . 8 1 1 A 13 13 LYS CA C 13 54.660 59.025 -4.365 1
1 54 . 8 1 1 A 13 13 LYS HA H 13 4.202 3.821 0.381 1
1 55 . 8 1 1 A 13 13 LYS CB C 13 32.655 32.028 0.627 1
1 67 . 8 1 1 A 13 13 LYS C C 13 176.721 177.596 -0.875 1
1 68 . 8 1 1 A 14 14 VAL N N 14 123.625 118.996 4.629 1
1 69 . 8 1 1 A 14 14 VAL H H 14 7.499 6.792 0.707 1
1 70 . 8 1 1 A 14 14 VAL CA C 14 63.247 63.221 0.026 1
1 71 . 8 1 1 A 14 14 VAL HA H 14 3.907 3.726 0.181 1
1 72 . 8 1 1 A 14 14 VAL CB C 14 31.649 31.679 -0.030 1
1 82 . 8 1 1 A 15 15 ARG H H 15 8.106 8.514 -0.408 1
1 83 . 8 1 1 A 15 15 ARG CA C 15 53.791 54.466 -0.675 1
1 84 . 8 1 1 A 15 15 ARG HA H 15 5.021 5.120 -0.099 1
1 85 . 8 1 1 A 15 15 ARG CB C 15 34.207 33.796 0.411 1
1 94 . 8 1 1 A 16 16 ALA N N 16 123.795 128.671 -4.876 1
1 95 . 8 1 1 A 16 16 ALA H H 16 8.875 9.055 -0.180 1
1 96 . 8 1 1 A 16 16 ALA CA C 16 51.092 50.669 0.423 1
1 97 . 8 1 1 A 16 16 ALA HA H 16 5.569 5.311 0.258 1
1 98 . 8 1 1 A 16 16 ALA CB C 16 23.845 21.766 2.079 1
1 102 . 8 1 1 A 17 17 GLY N N 17 106.516 106.386 0.130 1
1 103 . 8 1 1 A 17 17 GLY H H 17 8.616 8.485 0.131 1
1 104 . 8 1 1 A 17 17 GLY CA C 17 46.205 45.783 0.422 1
1 105 . 8 1 1 A 17 17 GLY HA2 H 17 4.289 4.220 0.069 1
1 106 . 8 1 1 A 17 17 GLY HA3 H 17 4.226 4.237 -0.011 1
1 107 . 8 1 1 A 18 18 GLY N N 18 111.804 110.828 0.976 1
1 108 . 8 1 1 A 18 18 GLY H H 18 8.816 8.598 0.218 1
1 109 . 8 1 1 A 18 18 GLY CA C 18 44.595 45.081 -0.486 1
1 110 . 8 1 1 A 18 18 GLY HA2 H 18 4.105 4.318 -0.213 1
1 111 . 8 1 1 A 18 18 GLY HA3 H 18 4.105 4.361 -0.256 1
1 112 . 8 1 1 A 19 19 PRO CA C 19 65.526 63.831 1.695 1
1 113 . 8 1 1 A 19 19 PRO HA H 19 4.335 4.290 0.045 1
1 114 . 8 1 1 A 19 19 PRO CB C 19 31.790 31.329 0.461 1
1 123 . 8 1 1 A 19 19 PRO C C 19 179.208 177.461 1.747 1
1 124 . 8 1 1 A 20 20 GLY N N 20 103.234 112.316 -9.082 1
1 125 . 8 1 1 A 20 20 GLY H H 20 9.282 8.780 0.502 1
1 126 . 8 1 1 A 20 20 GLY CA C 20 46.361 45.419 0.942 1
1 127 . 8 1 1 A 20 20 GLY HA2 H 20 3.214 3.991 -0.777 1
1 128 . 8 1 1 A 20 20 GLY HA3 H 20 4.184 4.067 0.117 1
1 129 . 8 1 1 A 20 20 GLY C C 20 172.711 176.027 -3.316 1
1 130 . 8 1 1 A 21 21 LEU N N 21 116.307 121.707 -5.400 1
1 131 . 8 1 1 A 21 21 LEU H H 21 7.559 7.698 -0.139 1
1 132 . 8 1 1 A 21 21 LEU CA C 21 53.980 57.400 -3.420 1
1 133 . 8 1 1 A 21 21 LEU HA H 21 4.166 4.051 0.115 1
1 134 . 8 1 1 A 21 21 LEU CB C 21 40.135 41.414 -1.279 1
1 147 . 8 1 1 A 21 21 LEU C C 21 175.859 179.084 -3.225 1
1 148 . 8 1 1 A 22 22 GLU N N 22 119.926 116.884 3.042 1
1 149 . 8 1 1 A 22 22 GLU H H 22 7.927 8.678 -0.751 1
1 150 . 8 1 1 A 22 22 GLU CA C 22 57.490 59.449 -1.959 1
1 151 . 8 1 1 A 22 22 GLU HA H 22 4.511 4.194 0.317 1
1 152 . 8 1 1 A 22 22 GLU CB C 22 32.057 29.154 2.903 1
1 158 . 8 1 1 A 22 22 GLU C C 22 175.521 176.322 -0.801 1
1 159 . 8 1 1 A 23 23 ARG N N 23 116.789 119.173 -2.384 1
1 160 . 8 1 1 A 23 23 ARG H H 23 8.340 7.661 0.679 1
1 161 . 8 1 1 A 23 23 ARG CA C 23 56.464 55.333 1.131 1
1 162 . 8 1 1 A 23 23 ARG HA H 23 4.688 4.807 -0.119 1
1 163 . 8 1 1 A 23 23 ARG CB C 23 32.571 33.841 -1.270 1
1 174 . 8 1 1 A 23 23 ARG C C 23 173.992 174.656 -0.664 1
1 175 . 8 1 1 A 24 24 GLY N N 24 108.837 112.132 -3.295 1
1 176 . 8 1 1 A 24 24 GLY H H 24 8.736 8.458 0.278 1
1 177 . 8 1 1 A 24 24 GLY CA C 24 43.943 44.537 -0.594 1
1 178 . 8 1 1 A 24 24 GLY HA2 H 24 3.510 4.310 -0.800 1
1 179 . 8 1 1 A 24 24 GLY HA3 H 24 4.679 4.351 0.328 1
1 180 . 8 1 1 A 24 24 GLY C C 24 171.930 172.811 -0.881 1
1 181 . 8 1 1 A 25 25 GLU N N 25 122.126 120.884 1.242 1
1 182 . 8 1 1 A 25 25 GLU H H 25 9.429 8.510 0.919 1
1 183 . 8 1 1 A 25 25 GLU CA C 25 54.209 54.548 -0.339 1
1 184 . 8 1 1 A 25 25 GLU HA H 25 5.049 5.089 -0.040 1
1 185 . 8 1 1 A 25 25 GLU CB C 25 32.945 33.882 -0.937 1
1 191 . 8 1 1 A 25 25 GLU C C 25 175.853 175.870 -0.017 1
1 192 . 8 1 1 A 26 26 ALA N N 26 128.654 127.132 1.522 1
1 193 . 8 1 1 A 26 26 ALA H H 26 8.518 8.850 -0.332 1
1 194 . 8 1 1 A 26 26 ALA CA C 26 53.187 53.943 -0.756 1
1 195 . 8 1 1 A 26 26 ALA HA H 26 3.855 4.219 -0.364 1
1 196 . 8 1 1 A 26 26 ALA CB C 26 17.420 18.337 -0.917 1
1 200 . 8 1 1 A 26 26 ALA C C 26 177.837 178.336 -0.499 1
1 201 . 8 1 1 A 27 27 GLY N N 27 108.210 111.145 -2.935 1
1 202 . 8 1 1 A 27 27 GLY H H 27 8.583 8.831 -0.248 1
1 203 . 8 1 1 A 27 27 GLY CA C 27 45.619 45.566 0.053 1
1 204 . 8 1 1 A 27 27 GLY HA2 H 27 3.364 3.896 -0.532 1
1 205 . 8 1 1 A 27 27 GLY HA3 H 27 4.158 3.906 0.252 1
1 206 . 8 1 1 A 27 27 GLY C C 27 173.084 173.773 -0.689 1
1 207 . 8 1 1 A 28 28 VAL N N 28 122.974 121.352 1.622 1
1 208 . 8 1 1 A 28 28 VAL H H 28 7.878 7.513 0.365 1
1 209 . 8 1 1 A 28 28 VAL CA C 28 59.182 58.671 0.511 1
1 210 . 8 1 1 A 28 28 VAL HA H 28 4.510 4.399 0.111 1
1 211 . 8 1 1 A 28 28 VAL CB C 28 34.549 34.716 -0.167 1
1 221 . 8 1 1 A 28 28 VAL C C 28 174.171 174.589 -0.418 1
1 222 . 8 1 1 A 29 29 PRO CA C 29 64.354 62.109 2.245 1
1 223 . 8 1 1 A 29 29 PRO HA H 29 4.064 4.717 -0.653 1
1 224 . 8 1 1 A 29 29 PRO CB C 29 31.464 31.448 0.016 1
1 233 . 8 1 1 A 29 29 PRO C C 29 174.718 175.833 -1.115 1
1 234 . 8 1 1 A 30 30 ALA N N 30 131.821 126.720 5.101 1
1 235 . 8 1 1 A 30 30 ALA H H 30 8.990 7.980 1.010 1
1 236 . 8 1 1 A 30 30 ALA CA C 30 50.482 51.273 -0.791 1
1 237 . 8 1 1 A 30 30 ALA HA H 30 4.558 4.599 -0.041 1
1 238 . 8 1 1 A 30 30 ALA CB C 30 18.793 19.207 -0.414 1
1 242 . 8 1 1 A 30 30 ALA C C 30 176.319 176.350 -0.031 1
1 243 . 8 1 1 A 31 31 GLU N N 31 119.523 123.959 -4.436 1
1 244 . 8 1 1 A 31 31 GLU H H 31 8.273 9.033 -0.760 1
1 245 . 8 1 1 A 31 31 GLU CA C 31 55.261 55.338 -0.077 1
1 246 . 8 1 1 A 31 31 GLU HA H 31 5.290 5.161 0.129 1
1 247 . 8 1 1 A 31 31 GLU CB C 31 33.484 32.218 1.266 1
1 253 . 8 1 1 A 31 31 GLU C C 31 176.617 175.968 0.649 1
1 254 . 8 1 1 A 32 32 PHE N N 32 115.139 120.296 -5.157 1
1 255 . 8 1 1 A 32 32 PHE H H 32 8.905 8.157 0.748 1
1 256 . 8 1 1 A 32 32 PHE CA C 32 57.490 55.119 2.371 1
1 257 . 8 1 1 A 32 32 PHE HA H 32 5.031 5.860 -0.829 1
1 258 . 8 1 1 A 32 32 PHE CB C 32 39.989 42.730 -2.741 1
1 271 . 8 1 1 A 32 32 PHE C C 32 172.714 173.248 -0.534 1
1 272 . 8 1 1 A 33 33 SER CA C 33 57.324 56.444 0.880 1
1 273 . 8 1 1 A 33 33 SER HA H 33 5.404 5.221 0.183 1
1 274 . 8 1 1 A 33 33 SER CB C 33 66.623 64.782 1.841 1
1 277 . 8 1 1 A 34 34 ILE N N 34 127.688 120.608 7.080 1
1 278 . 8 1 1 A 34 34 ILE H H 34 9.577 9.111 0.466 1
1 279 . 8 1 1 A 34 34 ILE CA C 34 60.614 59.416 1.198 1
1 280 . 8 1 1 A 34 34 ILE HA H 34 4.668 5.195 -0.527 1
1 281 . 8 1 1 A 34 34 ILE CB C 34 41.681 41.235 0.446 1
1 294 . 8 1 1 A 35 35 TRP CA C 35 58.440 55.322 3.118 1
1 295 . 8 1 1 A 35 35 TRP HA H 35 5.262 5.485 -0.223 1
1 296 . 8 1 1 A 35 35 TRP CB C 35 30.511 32.919 -2.408 1
1 311 . 8 1 1 A 36 36 THR N N 36 114.021 117.963 -3.942 1
1 312 . 8 1 1 A 36 36 THR H H 36 8.680 8.765 -0.085 1
1 313 . 8 1 1 A 36 36 THR CA C 36 61.459 60.641 0.818 1
1 314 . 8 1 1 A 36 36 THR HA H 36 4.364 4.735 -0.371 1
1 315 . 8 1 1 A 36 36 THR CB C 36 69.197 68.661 0.536 1
1 321 . 8 1 1 A 37 37 ARG CA C 37 56.501 57.938 -1.437 1
1 322 . 8 1 1 A 37 37 ARG HA H 37 4.207 4.337 -0.130 1
1 323 . 8 1 1 A 37 37 ARG CB C 37 30.884 29.821 1.063 1
1 332 . 8 1 1 A 37 37 ARG C C 37 173.005 178.676 -5.671 1
1 333 . 8 1 1 A 38 38 GLU H H 38 8.371 8.278 0.093 1
1 334 . 8 1 1 A 38 38 GLU CA C 38 56.895 58.472 -1.577 1
1 335 . 8 1 1 A 38 38 GLU HA H 38 4.270 4.180 0.090 1
1 336 . 8 1 1 A 38 38 GLU CB C 38 30.001 30.283 -0.282 1
1 342 . 8 1 1 A 39 39 ALA N N 39 121.133 119.633 1.500 1
1 343 . 8 1 1 A 39 39 ALA H H 39 7.665 7.688 -0.023 1
1 344 . 8 1 1 A 39 39 ALA CA C 39 52.963 50.740 2.223 1
1 345 . 8 1 1 A 39 39 ALA HA H 39 3.964 4.522 -0.558 1
1 346 . 8 1 1 A 39 39 ALA CB C 39 21.097 18.548 2.549 1
1 350 . 8 1 1 A 39 39 ALA C C 39 177.871 177.570 0.301 1
1 351 . 8 1 1 A 40 40 GLY N N 40 105.600 113.709 -8.109 1
1 352 . 8 1 1 A 40 40 GLY H H 40 7.654 8.967 -1.313 1
1 353 . 8 1 1 A 40 40 GLY CA C 40 44.261 47.518 -3.257 1
1 354 . 8 1 1 A 40 40 GLY HA2 H 40 3.766 3.869 -0.103 1
1 355 . 8 1 1 A 40 40 GLY HA3 H 40 4.196 3.887 0.309 1
1 356 . 8 1 1 A 40 40 GLY C C 40 172.824 173.732 -0.908 1
1 357 . 8 1 1 A 41 41 ALA N N 41 122.720 124.489 -1.769 1
1 358 . 8 1 1 A 41 41 ALA H H 41 8.364 8.221 0.143 1
1 359 . 8 1 1 A 41 41 ALA CA C 41 52.502 51.600 0.902 1
1 360 . 8 1 1 A 41 41 ALA HA H 41 4.396 4.984 -0.588 1
1 361 . 8 1 1 A 41 41 ALA CB C 41 19.295 22.610 -3.315 1
1 365 . 8 1 1 A 41 41 ALA C C 41 178.393 175.995 2.398 1
1 366 . 8 1 1 A 42 42 GLY N N 42 109.713 105.873 3.840 1
1 367 . 8 1 1 A 42 42 GLY H H 42 8.194 8.450 -0.256 1
1 368 . 8 1 1 A 42 42 GLY CA C 42 45.853 46.050 -0.197 1
1 369 . 8 1 1 A 42 42 GLY HA2 H 42 3.616 3.992 -0.376 1
1 370 . 8 1 1 A 42 42 GLY HA3 H 42 3.761 4.126 -0.365 1
1 371 . 8 1 1 A 42 42 GLY C C 42 172.178 172.124 0.054 1
1 372 . 8 1 1 A 43 43 GLY N N 43 105.505 107.957 -2.452 1
1 373 . 8 1 1 A 43 43 GLY H H 43 7.422 8.177 -0.755 1
1 374 . 8 1 1 A 43 43 GLY CA C 43 44.382 44.646 -0.264 1
1 375 . 8 1 1 A 43 43 GLY HA2 H 43 3.420 4.017 -0.597 1
1 376 . 8 1 1 A 43 43 GLY HA3 H 43 4.295 4.070 0.225 1
1 377 . 8 1 1 A 43 43 GLY C C 43 172.885 172.785 0.100 1
1 378 . 8 1 1 A 44 44 LEU N N 44 125.007 121.806 3.201 1
1 379 . 8 1 1 A 44 44 LEU H H 44 8.525 8.644 -0.119 1
1 380 . 8 1 1 A 44 44 LEU CA C 44 53.589 53.986 -0.397 1
1 381 . 8 1 1 A 44 44 LEU HA H 44 5.357 4.949 0.408 1
1 382 . 8 1 1 A 44 44 LEU CB C 44 45.602 45.331 0.271 1
1 395 . 8 1 1 A 44 44 LEU C C 44 177.034 175.045 1.989 1
1 396 . 8 1 1 A 45 45 SER N N 45 117.626 121.470 -3.844 1
1 397 . 8 1 1 A 45 45 SER H H 45 9.010 8.643 0.367 1
1 398 . 8 1 1 A 45 45 SER CA C 45 57.065 57.673 -0.608 1
1 399 . 8 1 1 A 45 45 SER HA H 45 4.660 4.996 -0.336 1
1 400 . 8 1 1 A 45 45 SER CB C 45 65.309 64.950 0.359 1
1 403 . 8 1 1 A 45 45 SER C C 45 172.724 173.244 -0.520 1
1 404 . 8 1 1 A 46 46 ILE N N 46 125.604 124.317 1.287 1
1 405 . 8 1 1 A 46 46 ILE H H 46 8.584 8.800 -0.216 1
1 406 . 8 1 1 A 46 46 ILE CA C 46 59.369 59.858 -0.489 1
1 407 . 8 1 1 A 46 46 ILE HA H 46 5.182 5.180 0.002 1
1 408 . 8 1 1 A 46 46 ILE CB C 46 40.879 41.227 -0.348 1
1 421 . 8 1 1 A 46 46 ILE C C 46 174.318 174.503 -0.185 1
1 422 . 8 1 1 A 47 47 ALA N N 47 128.948 128.515 0.433 1
1 423 . 8 1 1 A 47 47 ALA H H 47 8.762 8.786 -0.024 1
1 424 . 8 1 1 A 47 47 ALA CA C 47 51.123 50.929 0.194 1
1 425 . 8 1 1 A 47 47 ALA HA H 47 4.724 5.091 -0.367 1
1 426 . 8 1 1 A 47 47 ALA CB C 47 22.575 21.321 1.254 1
1 430 . 8 1 1 A 47 47 ALA C C 47 175.131 175.611 -0.480 1
1 431 . 8 1 1 A 48 48 VAL N N 48 121.512 123.825 -2.313 1
1 432 . 8 1 1 A 48 48 VAL H H 48 8.640 8.909 -0.269 1
1 433 . 8 1 1 A 48 48 VAL CA C 48 61.770 62.186 -0.416 1
1 434 . 8 1 1 A 48 48 VAL HA H 48 4.749 4.442 0.307 1
1 435 . 8 1 1 A 48 48 VAL CB C 48 33.642 31.899 1.743 1
1 445 . 8 1 1 A 48 48 VAL C C 48 174.870 175.478 -0.608 1
1 446 . 8 1 1 A 49 49 GLU N N 49 126.757 125.823 0.934 1
1 447 . 8 1 1 A 49 49 GLU H H 49 8.898 8.754 0.144 1
1 448 . 8 1 1 A 49 49 GLU CA C 49 54.457 55.053 -0.596 1
1 449 . 8 1 1 A 49 49 GLU HA H 49 5.003 5.272 -0.269 1
1 450 . 8 1 1 A 49 49 GLU CB C 49 33.209 32.797 0.412 1
1 456 . 8 1 1 A 49 49 GLU C C 49 175.282 175.880 -0.598 1
1 457 . 8 1 1 A 50 50 GLY N N 50 112.668 110.870 1.798 1
1 458 . 8 1 1 A 50 50 GLY H H 50 8.563 8.600 -0.037 1
1 459 . 8 1 1 A 50 50 GLY CA C 50 45.534 44.742 0.792 1
1 460 . 8 1 1 A 50 50 GLY HA2 H 50 3.481 3.638 -0.157 1
1 461 . 8 1 1 A 50 50 GLY HA3 H 50 3.836 4.024 -0.188 1
1 462 . 8 1 1 A 50 50 GLY C C 50 171.670 173.963 -2.293 1
1 463 . 8 1 1 A 51 51 PRO CA C 51 64.371 63.950 0.421 1
1 464 . 8 1 1 A 51 51 PRO HA H 51 4.309 4.375 -0.066 1
1 465 . 8 1 1 A 51 51 PRO CB C 51 32.183 31.766 0.417 1
1 474 . 8 1 1 A 51 51 PRO C C 51 175.938 176.065 -0.127 1
1 475 . 8 1 1 A 52 52 SER N N 52 109.776 114.412 -4.636 1
1 476 . 8 1 1 A 52 52 SER H H 52 7.281 7.369 -0.088 1
1 477 . 8 1 1 A 52 52 SER CA C 52 56.747 57.597 -0.850 1
1 478 . 8 1 1 A 52 52 SER HA H 52 4.688 4.891 -0.203 1
1 479 . 8 1 1 A 52 52 SER CB C 52 65.901 67.394 -1.493 1
1 482 . 8 1 1 A 52 52 SER C C 52 172.748 172.684 0.064 1
1 483 . 8 1 1 A 53 53 LYS N N 53 121.441 123.794 -2.353 1
1 484 . 8 1 1 A 53 53 LYS H H 53 8.607 8.415 0.192 1
1 485 . 8 1 1 A 53 53 LYS CA C 53 56.641 56.862 -0.221 1
1 486 . 8 1 1 A 53 53 LYS HA H 53 4.391 4.431 -0.040 1
1 487 . 8 1 1 A 53 53 LYS CB C 53 32.323 33.148 -0.825 1
1 499 . 8 1 1 A 53 53 LYS C C 53 175.721 175.703 0.018 1
1 500 . 8 1 1 A 54 54 ALA N N 54 129.914 128.721 1.193 1
1 501 . 8 1 1 A 54 54 ALA H H 54 8.941 8.810 0.131 1
1 502 . 8 1 1 A 54 54 ALA CA C 54 50.924 50.413 0.511 1
1 503 . 8 1 1 A 54 54 ALA HA H 54 4.962 5.295 -0.333 1
1 504 . 8 1 1 A 54 54 ALA CB C 54 20.004 22.289 -2.285 1
1 508 . 8 1 1 A 54 54 ALA C C 54 176.618 175.687 0.931 1
1 509 . 8 1 1 A 55 55 GLU N N 55 122.179 122.645 -0.466 1
1 510 . 8 1 1 A 55 55 GLU H H 55 8.153 8.827 -0.674 1
1 511 . 8 1 1 A 55 55 GLU CA C 55 55.689 56.643 -0.954 1
1 512 . 8 1 1 A 55 55 GLU HA H 55 4.569 4.573 -0.004 1
1 513 . 8 1 1 A 55 55 GLU CB C 55 31.003 30.581 0.422 1
1 519 . 8 1 1 A 55 55 GLU C C 55 176.867 175.502 1.365 1
1 520 . 8 1 1 A 56 56 ILE N N 56 127.733 126.549 1.184 1
1 521 . 8 1 1 A 56 56 ILE H H 56 8.948 8.671 0.277 1
1 522 . 8 1 1 A 56 56 ILE CA C 56 61.345 60.397 0.948 1
1 523 . 8 1 1 A 56 56 ILE HA H 56 4.744 5.146 -0.402 1
1 524 . 8 1 1 A 56 56 ILE CB C 56 40.978 41.967 -0.989 1
1 537 . 8 1 1 A 56 56 ILE C C 56 175.675 174.958 0.717 1
1 538 . 8 1 1 A 57 57 THR N N 57 124.172 123.734 0.438 1
1 539 . 8 1 1 A 57 57 THR H H 57 9.410 8.826 0.584 1
1 540 . 8 1 1 A 57 57 THR CA C 57 61.999 61.297 0.702 1
1 541 . 8 1 1 A 57 57 THR HA H 57 4.504 5.062 -0.558 1
1 542 . 8 1 1 A 57 57 THR CB C 57 70.660 71.134 -0.474 1
1 548 . 8 1 1 A 57 57 THR C C 57 172.131 172.637 -0.506 1
1 549 . 8 1 1 A 58 58 PHE N N 58 126.429 128.106 -1.677 1
1 550 . 8 1 1 A 58 58 PHE H H 58 8.796 9.127 -0.331 1
1 551 . 8 1 1 A 58 58 PHE CA C 58 56.680 56.271 0.409 1
1 552 . 8 1 1 A 58 58 PHE HA H 58 4.981 5.274 -0.293 1
1 553 . 8 1 1 A 58 58 PHE CB C 58 42.400 42.261 0.139 1
1 566 . 8 1 1 A 58 58 PHE C C 58 173.719 173.523 0.196 1
1 567 . 8 1 1 A 59 59 ASP N N 59 126.210 126.258 -0.048 1
1 568 . 8 1 1 A 59 59 ASP H H 59 8.707 8.145 0.562 1
1 569 . 8 1 1 A 59 59 ASP CA C 59 52.784 53.415 -0.631 1
1 570 . 8 1 1 A 59 59 ASP HA H 59 4.677 5.038 -0.361 1
1 571 . 8 1 1 A 59 59 ASP CB C 59 42.738 44.741 -2.003 1
1 574 . 8 1 1 A 59 59 ASP C C 59 173.710 173.777 -0.067 1
1 575 . 8 1 1 A 60 60 ASP N N 60 123.675 122.401 1.274 1
1 576 . 8 1 1 A 60 60 ASP H H 60 8.490 8.662 -0.172 1
1 577 . 8 1 1 A 60 60 ASP CA C 60 53.871 52.358 1.513 1
1 578 . 8 1 1 A 60 60 ASP HA H 60 4.447 4.794 -0.347 1
1 579 . 8 1 1 A 60 60 ASP CB C 60 41.108 43.286 -2.178 1
1 582 . 8 1 1 A 60 60 ASP C C 60 176.691 175.564 1.127 1
1 583 . 8 1 1 A 61 61 HIS N N 61 124.385 116.550 7.835 1
1 584 . 8 1 1 A 61 61 HIS H H 61 8.122 8.241 -0.119 1
1 585 . 8 1 1 A 61 61 HIS CA C 61 55.608 56.241 -0.633 1
1 586 . 8 1 1 A 61 61 HIS HA H 61 4.769 4.073 0.696 1
1 587 . 8 1 1 A 61 61 HIS CB C 61 28.607 27.304 1.303 1
1 594 . 8 1 1 A 61 61 HIS C C 61 175.701 174.871 0.830 1
1 595 . 8 1 1 A 62 62 LYS N N 62 115.195 116.749 -1.554 1
1 596 . 8 1 1 A 62 62 LYS H H 62 9.178 8.070 1.108 1
1 597 . 8 1 1 A 62 62 LYS CA C 62 57.585 56.765 0.820 1
1 598 . 8 1 1 A 62 62 LYS HA H 62 4.028 4.254 -0.226 1
1 599 . 8 1 1 A 62 62 LYS CB C 62 29.373 34.364 -4.991 1
1 611 . 8 1 1 A 63 63 ASN N N 63 116.167 113.384 2.783 1
1 612 . 8 1 1 A 63 63 ASN H H 63 7.900 7.991 -0.091 1
1 613 . 8 1 1 A 63 63 ASN CA C 63 52.056 52.626 -0.570 1
1 614 . 8 1 1 A 63 63 ASN HA H 63 4.835 4.890 -0.055 1
1 615 . 8 1 1 A 63 63 ASN CB C 63 38.468 40.593 -2.125 1
1 621 . 8 1 1 A 63 63 ASN C C 63 176.634 176.335 0.299 1
1 622 . 8 1 1 A 64 64 GLY N N 64 108.877 108.103 0.774 1
1 623 . 8 1 1 A 64 64 GLY H H 64 8.718 8.210 0.508 1
1 624 . 8 1 1 A 64 64 GLY CA C 64 45.534 45.502 0.032 1
1 625 . 8 1 1 A 64 64 GLY HA2 H 64 3.619 3.971 -0.352 1
1 626 . 8 1 1 A 64 64 GLY HA3 H 64 4.247 4.004 0.243 1
1 627 . 8 1 1 A 65 65 SER N N 65 115.229 115.520 -0.291 1
1 628 . 8 1 1 A 65 65 SER H H 65 7.962 7.903 0.059 1
1 629 . 8 1 1 A 65 65 SER CA C 65 57.108 57.787 -0.679 1
1 630 . 8 1 1 A 65 65 SER HA H 65 5.531 4.588 0.943 1
1 631 . 8 1 1 A 65 65 SER CB C 65 67.290 63.391 3.899 1
1 634 . 8 1 1 A 66 66 CYS N N 66 118.007 117.930 0.077 1
1 635 . 8 1 1 A 66 66 CYS H H 66 8.807 7.531 1.276 1
1 636 . 8 1 1 A 66 66 CYS CA C 66 56.476 56.851 -0.375 1
1 637 . 8 1 1 A 66 66 CYS HA H 66 4.672 4.979 -0.307 1
1 638 . 8 1 1 A 66 66 CYS CB C 66 31.077 31.041 0.036 1
1 641 . 8 1 1 A 67 67 GLY N N 67 112.448 107.977 4.471 1
1 642 . 8 1 1 A 67 67 GLY H H 67 8.679 8.231 0.448 1
1 643 . 8 1 1 A 67 67 GLY CA C 67 45.004 45.831 -0.827 1
1 644 . 8 1 1 A 67 67 GLY HA2 H 67 3.629 4.013 -0.384 1
1 645 . 8 1 1 A 67 67 GLY HA3 H 67 4.645 4.055 0.590 1
1 646 . 8 1 1 A 67 67 GLY C C 67 171.754 171.803 -0.049 1
1 647 . 8 1 1 A 68 68 VAL N N 68 123.840 121.399 2.441 1
1 648 . 8 1 1 A 68 68 VAL H H 68 8.486 8.142 0.344 1
1 649 . 8 1 1 A 68 68 VAL CA C 68 60.143 60.344 -0.201 1
1 650 . 8 1 1 A 68 68 VAL HA H 68 4.579 4.864 -0.285 1
1 651 . 8 1 1 A 68 68 VAL CB C 68 33.946 35.179 -1.233 1
1 661 . 8 1 1 A 68 68 VAL C C 68 174.396 174.224 0.172 1
1 662 . 8 1 1 A 69 69 SER N N 69 119.414 119.058 0.356 1
1 663 . 8 1 1 A 69 69 SER H H 69 8.450 8.588 -0.138 1
1 664 . 8 1 1 A 69 69 SER CA C 69 56.169 56.499 -0.330 1
1 665 . 8 1 1 A 69 69 SER HA H 69 5.442 5.362 0.080 1
1 666 . 8 1 1 A 69 69 SER CB C 69 65.640 66.533 -0.893 1
1 669 . 8 1 1 A 69 69 SER C C 69 173.189 173.131 0.058 1
1 670 . 8 1 1 A 70 70 TYR N N 70 119.504 117.110 2.394 1
1 671 . 8 1 1 A 70 70 TYR H H 70 8.771 8.931 -0.160 1
1 672 . 8 1 1 A 70 70 TYR CA C 70 54.962 56.273 -1.311 1
1 673 . 8 1 1 A 70 70 TYR HA H 70 5.922 5.726 0.196 1
1 674 . 8 1 1 A 70 70 TYR CB C 70 42.710 41.289 1.421 1
1 685 . 8 1 1 A 70 70 TYR C C 70 173.056 172.678 0.378 1
1 686 . 8 1 1 A 71 71 ILE N N 71 117.727 122.183 -4.456 1
1 687 . 8 1 1 A 71 71 ILE H H 71 8.196 8.494 -0.298 1
1 688 . 8 1 1 A 71 71 ILE CA C 71 60.132 59.808 0.324 1
1 689 . 8 1 1 A 71 71 ILE HA H 71 4.161 4.577 -0.416 1
1 690 . 8 1 1 A 71 71 ILE CB C 71 40.790 41.321 -0.531 1
1 703 . 8 1 1 A 71 71 ILE C C 71 175.114 174.779 0.335 1
1 704 . 8 1 1 A 72 72 ALA N N 72 133.145 129.035 4.110 1
1 705 . 8 1 1 A 72 72 ALA H H 72 9.466 8.463 1.003 1
1 706 . 8 1 1 A 72 72 ALA CA C 72 50.261 50.399 -0.138 1
1 707 . 8 1 1 A 72 72 ALA HA H 72 4.567 4.568 -0.001 1
1 708 . 8 1 1 A 72 72 ALA CB C 72 19.699 19.786 -0.087 1
1 712 . 8 1 1 A 72 72 ALA C C 72 177.170 177.815 -0.645 1
1 713 . 8 1 1 A 73 73 GLN N N 73 120.464 123.988 -3.524 1
1 714 . 8 1 1 A 73 73 GLN H H 73 8.649 8.636 0.013 1
1 715 . 8 1 1 A 73 73 GLN CA C 73 57.614 58.956 -1.342 1
1 716 . 8 1 1 A 73 73 GLN HA H 73 4.083 4.145 -0.062 1
1 717 . 8 1 1 A 73 73 GLN CB C 73 29.667 29.235 0.432 1
1 726 . 8 1 1 A 73 73 GLN C C 73 175.643 176.490 -0.847 1
1 727 . 8 1 1 A 74 74 GLU N N 74 114.557 117.612 -3.055 1
1 728 . 8 1 1 A 74 74 GLU H H 74 7.102 8.151 -1.049 1
1 729 . 8 1 1 A 74 74 GLU CA C 74 52.242 53.171 -0.929 1
1 730 . 8 1 1 A 74 74 GLU HA H 74 4.988 4.710 0.278 1
1 731 . 8 1 1 A 74 74 GLU CB C 74 31.732 30.422 1.310 1
1 737 . 8 1 1 A 74 74 GLU C C 74 174.462 174.144 0.318 1
1 738 . 8 1 1 A 75 75 PRO CA C 75 63.007 63.193 -0.186 1
1 739 . 8 1 1 A 75 75 PRO HA H 75 4.335 4.711 -0.376 1
1 740 . 8 1 1 A 75 75 PRO CB C 75 32.866 32.486 0.380 1
1 749 . 8 1 1 A 75 75 PRO C C 75 174.572 175.908 -1.336 1
1 750 . 8 1 1 A 76 76 GLY N N 76 107.234 107.851 -0.617 1
1 751 . 8 1 1 A 76 76 GLY H H 76 9.012 8.194 0.818 1
1 752 . 8 1 1 A 76 76 GLY CA C 76 44.615 45.273 -0.658 1
1 753 . 8 1 1 A 76 76 GLY HA2 H 76 3.850 4.218 -0.368 1
1 754 . 8 1 1 A 76 76 GLY HA3 H 76 4.201 4.236 -0.035 1
1 755 . 8 1 1 A 76 76 GLY C C 76 171.133 171.685 -0.552 1
1 756 . 8 1 1 A 77 77 ASN N N 77 119.292 118.750 0.542 1
1 757 . 8 1 1 A 77 77 ASN H H 77 8.549 8.461 0.088 1
1 758 . 8 1 1 A 77 77 ASN CA C 77 52.364 52.837 -0.473 1
1 759 . 8 1 1 A 77 77 ASN HA H 77 5.369 5.216 0.153 1
1 760 . 8 1 1 A 77 77 ASN CB C 77 39.176 39.065 0.111 1
1 766 . 8 1 1 A 77 77 ASN C C 77 174.470 174.283 0.187 1
1 767 . 8 1 1 A 78 78 TYR N N 78 123.809 125.009 -1.200 1
1 768 . 8 1 1 A 78 78 TYR H H 78 9.094 8.996 0.098 1
1 769 . 8 1 1 A 78 78 TYR CA C 78 56.818 57.682 -0.864 1
1 770 . 8 1 1 A 78 78 TYR HA H 78 4.859 4.998 -0.139 1
1 771 . 8 1 1 A 78 78 TYR CB C 78 39.860 39.605 0.255 1
1 782 . 8 1 1 A 78 78 TYR C C 78 174.184 174.957 -0.773 1
1 783 . 8 1 1 A 79 79 GLU N N 79 122.250 125.748 -3.498 1
1 784 . 8 1 1 A 79 79 GLU H H 79 9.259 8.777 0.482 1
1 785 . 8 1 1 A 79 79 GLU CA C 79 54.692 55.847 -1.155 1
1 786 . 8 1 1 A 79 79 GLU HA H 79 5.313 5.096 0.217 1
1 787 . 8 1 1 A 79 79 GLU CB C 79 32.159 31.024 1.135 1
1 793 . 8 1 1 A 79 79 GLU C C 79 176.631 175.287 1.344 1
1 794 . 8 1 1 A 80 80 VAL N N 80 131.418 128.796 2.622 1
1 795 . 8 1 1 A 80 80 VAL H H 80 9.761 8.640 1.121 1
1 796 . 8 1 1 A 80 80 VAL CA C 80 61.522 61.711 -0.189 1
1 797 . 8 1 1 A 80 80 VAL HA H 80 4.801 4.371 0.430 1
1 798 . 8 1 1 A 80 80 VAL CB C 80 32.818 31.915 0.903 1
1 808 . 8 1 1 A 80 80 VAL C C 80 175.573 175.372 0.201 1
1 809 . 8 1 1 A 81 81 SER N N 81 123.238 123.594 -0.356 1
1 810 . 8 1 1 A 81 81 SER H H 81 9.457 9.135 0.322 1
1 811 . 8 1 1 A 81 81 SER CA C 81 57.589 58.125 -0.536 1
1 812 . 8 1 1 A 81 81 SER HA H 81 5.167 4.973 0.194 1
1 813 . 8 1 1 A 81 81 SER CB C 81 64.882 63.850 1.032 1
1 816 . 8 1 1 A 81 81 SER C C 81 173.514 174.191 -0.677 1
1 817 . 8 1 1 A 82 82 ILE N N 82 126.261 127.753 -1.492 1
1 818 . 8 1 1 A 82 82 ILE H H 82 9.642 9.163 0.479 1
1 819 . 8 1 1 A 82 82 ILE CA C 82 60.992 59.835 1.157 1
1 820 . 8 1 1 A 82 82 ILE HA H 82 4.667 5.168 -0.501 1
1 821 . 8 1 1 A 82 82 ILE CB C 82 40.692 40.938 -0.246 1
1 834 . 8 1 1 A 82 82 ILE C C 82 173.498 175.206 -1.708 1
1 835 . 8 1 1 A 83 83 LYS N N 83 123.477 126.299 -2.822 1
1 836 . 8 1 1 A 83 83 LYS H H 83 8.720 8.665 0.055 1
1 837 . 8 1 1 A 83 83 LYS CA C 83 53.730 54.954 -1.224 1
1 838 . 8 1 1 A 83 83 LYS HA H 83 5.139 5.296 -0.157 1
1 839 . 8 1 1 A 83 83 LYS CB C 83 36.351 35.221 1.130 1
1 851 . 8 1 1 A 83 83 LYS C C 83 174.914 174.491 0.423 1
1 852 . 8 1 1 A 84 84 PHE N N 84 122.298 126.241 -3.943 1
1 853 . 8 1 1 A 84 84 PHE H H 84 9.154 9.178 -0.024 1
1 854 . 8 1 1 A 84 84 PHE CA C 84 56.057 57.363 -1.306 1
1 855 . 8 1 1 A 84 84 PHE HA H 84 5.238 4.798 0.440 1
1 856 . 8 1 1 A 84 84 PHE CB C 84 43.136 40.673 2.463 1
1 867 . 8 1 1 A 84 84 PHE C C 84 175.864 174.906 0.958 1
1 868 . 8 1 1 A 85 85 ASN N N 85 127.936 125.186 2.750 1
1 869 . 8 1 1 A 85 85 ASN H H 85 9.040 9.262 -0.222 1
1 870 . 8 1 1 A 85 85 ASN CA C 85 54.448 54.398 0.050 1
1 871 . 8 1 1 A 85 85 ASN HA H 85 4.206 4.170 0.036 1
1 872 . 8 1 1 A 85 85 ASN CB C 85 36.554 36.602 -0.048 1
1 878 . 8 1 1 A 85 85 ASN C C 85 174.620 174.098 0.522 1
1 879 . 8 1 1 A 86 86 ASP N N 86 108.763 109.895 -1.132 1
1 880 . 8 1 1 A 86 86 ASP H H 86 8.828 8.402 0.426 1
1 881 . 8 1 1 A 86 86 ASP CA C 86 56.405 55.513 0.892 1
1 882 . 8 1 1 A 86 86 ASP HA H 86 3.946 4.141 -0.195 1
1 883 . 8 1 1 A 86 86 ASP CB C 86 40.367 39.164 1.203 1
1 886 . 8 1 1 A 86 86 ASP C C 86 174.169 174.538 -0.369 1
1 887 . 8 1 1 A 87 87 GLU N N 87 119.289 117.217 2.072 1
1 888 . 8 1 1 A 87 87 GLU H H 87 7.510 7.578 -0.068 1
1 889 . 8 1 1 A 87 87 GLU CA C 87 54.483 54.885 -0.402 1
1 890 . 8 1 1 A 87 87 GLU HA H 87 4.743 4.872 -0.129 1
1 891 . 8 1 1 A 87 87 GLU CB C 87 32.763 33.551 -0.788 1
1 897 . 8 1 1 A 87 87 GLU C C 87 175.825 175.200 0.625 1
1 898 . 8 1 1 A 88 88 HIS N N 88 123.465 120.359 3.106 1
1 899 . 8 1 1 A 88 88 HIS H H 88 8.822 9.247 -0.425 1
1 900 . 8 1 1 A 88 88 HIS CA C 88 59.117 55.759 3.358 1
1 901 . 8 1 1 A 88 88 HIS HA H 88 4.511 5.001 -0.490 1
1 902 . 8 1 1 A 88 88 HIS CB C 88 32.254 30.948 1.306 1
1 909 . 8 1 1 A 88 88 HIS C C 88 177.352 175.567 1.785 1
1 910 . 8 1 1 A 89 89 ILE N N 89 117.945 122.420 -4.475 1
1 911 . 8 1 1 A 89 89 ILE H H 89 8.131 8.637 -0.506 1
1 912 . 8 1 1 A 89 89 ILE CA C 89 61.121 59.689 1.432 1
1 913 . 8 1 1 A 89 89 ILE HA H 89 4.519 4.547 -0.028 1
1 914 . 8 1 1 A 89 89 ILE CB C 89 35.538 37.604 -2.066 1
1 927 . 8 1 1 A 89 89 ILE C C 89 173.831 176.744 -2.913 1
1 928 . 8 1 1 A 90 90 PRO CA C 90 66.545 64.290 2.255 1
1 929 . 8 1 1 A 90 90 PRO HA H 90 4.223 4.536 -0.313 1
1 930 . 8 1 1 A 90 90 PRO CB C 90 31.693 31.457 0.236 1
1 939 . 8 1 1 A 90 90 PRO C C 90 177.046 176.205 0.841 1
1 940 . 8 1 1 A 91 91 GLU N N 91 113.835 116.986 -3.151 1
1 941 . 8 1 1 A 91 91 GLU H H 91 8.223 8.254 -0.031 1
1 942 . 8 1 1 A 91 91 GLU CA C 91 57.913 56.135 1.778 1
1 943 . 8 1 1 A 91 91 GLU HA H 91 3.733 4.342 -0.609 1
1 944 . 8 1 1 A 91 91 GLU CB C 91 27.681 31.466 -3.785 1
1 950 . 8 1 1 A 91 91 GLU C C 91 173.469 175.301 -1.832 1
1 951 . 8 1 1 A 92 92 SER N N 92 111.462 113.486 -2.024 1
1 952 . 8 1 1 A 92 92 SER H H 92 7.489 7.527 -0.038 1
1 953 . 8 1 1 A 92 92 SER CA C 92 54.873 55.559 -0.686 1
1 954 . 8 1 1 A 92 92 SER HA H 92 4.427 4.697 -0.270 1
1 955 . 8 1 1 A 92 92 SER CB C 92 63.317 64.944 -1.627 1
1 958 . 8 1 1 A 92 92 SER C C 92 174.195 172.117 2.078 1
1 959 . 8 1 1 A 93 93 PRO CA C 93 62.333 62.494 -0.161 1
1 960 . 8 1 1 A 93 93 PRO HA H 93 5.483 4.718 0.765 1
1 961 . 8 1 1 A 93 93 PRO CB C 93 34.386 32.300 2.086 1
1 970 . 8 1 1 A 93 93 PRO C C 93 176.059 175.260 0.799 1
1 971 . 8 1 1 A 94 94 TYR N N 94 122.179 119.657 2.522 1
1 972 . 8 1 1 A 94 94 TYR H H 94 9.372 8.939 0.433 1
1 973 . 8 1 1 A 94 94 TYR CA C 94 57.101 57.455 -0.354 1
1 974 . 8 1 1 A 94 94 TYR HA H 94 4.531 4.928 -0.397 1
1 975 . 8 1 1 A 94 94 TYR CB C 94 40.027 40.706 -0.679 1
1 986 . 8 1 1 A 94 94 TYR C C 94 175.281 174.656 0.625 1
1 987 . 8 1 1 A 95 95 LEU N N 95 126.428 124.393 2.035 1
1 988 . 8 1 1 A 95 95 LEU H H 95 8.807 8.685 0.122 1
1 989 . 8 1 1 A 95 95 LEU CA C 95 54.200 53.652 0.548 1
1 990 . 8 1 1 A 95 95 LEU HA H 95 4.981 5.171 -0.190 1
1 991 . 8 1 1 A 95 95 LEU CB C 95 41.894 44.670 -2.776 1
1 1004 . 8 1 1 A 95 95 LEU C C 95 176.295 174.566 1.729 1
1 1005 . 8 1 1 A 96 96 VAL N N 96 130.944 127.963 2.981 1
1 1006 . 8 1 1 A 96 96 VAL H H 96 9.629 8.900 0.729 1
1 1007 . 8 1 1 A 96 96 VAL CA C 96 59.813 59.498 0.315 1
1 1008 . 8 1 1 A 96 96 VAL HA H 96 4.469 4.609 -0.140 1
1 1009 . 8 1 1 A 96 96 VAL CB C 96 35.052 33.093 1.959 1
1 1019 . 8 1 1 A 96 96 VAL C C 96 173.734 174.725 -0.991 1
1 1020 . 8 1 1 A 97 97 PRO CA C 97 62.379 62.394 -0.015 1
1 1021 . 8 1 1 A 97 97 PRO HA H 97 5.016 4.831 0.185 1
1 1022 . 8 1 1 A 97 97 PRO CB C 97 32.163 31.303 0.860 1
1 1031 . 8 1 1 A 97 97 PRO C C 97 175.950 176.110 -0.160 1
1 1032 . 8 1 1 A 98 98 VAL N N 98 125.524 124.155 1.369 1
1 1033 . 8 1 1 A 98 98 VAL H H 98 9.196 8.926 0.270 1
1 1034 . 8 1 1 A 98 98 VAL CA C 98 61.345 62.668 -1.323 1
1 1035 . 8 1 1 A 98 98 VAL HA H 98 4.411 4.386 0.025 1
1 1036 . 8 1 1 A 98 98 VAL CB C 98 32.037 32.420 -0.383 1
1 1046 . 8 1 1 A 98 98 VAL C C 98 176.996 175.831 1.165 1
1 1047 . 8 1 1 A 99 99 ILE N N 99 124.035 121.466 2.569 1
1 1048 . 8 1 1 A 99 99 ILE H H 99 8.392 8.417 -0.025 1
1 1049 . 8 1 1 A 99 99 ILE CA C 99 59.802 58.859 0.943 1
1 1050 . 8 1 1 A 99 99 ILE HA H 99 4.651 5.002 -0.351 1
1 1051 . 8 1 1 A 99 99 ILE CB C 99 40.609 42.161 -1.552 1
1 1064 . 8 1 1 A 99 99 ILE C C 99 175.482 174.490 0.992 1
1 1065 . 8 1 1 A 100 100 ALA N N 100 125.837 125.013 0.824 1
1 1066 . 8 1 1 A 100 100 ALA H H 100 8.714 8.475 0.239 1
1 1067 . 8 1 1 A 100 100 ALA CA C 100 50.416 49.908 0.508 1
1 1068 . 8 1 1 A 100 100 ALA HA H 100 4.603 4.519 0.084 1
1 1069 . 8 1 1 A 100 100 ALA CB C 100 18.088 19.561 -1.473 1
1 1073 . 8 1 1 A 100 100 ALA C C 100 175.264 176.354 -1.090 1
1 1074 . 8 1 1 A 101 101 PRO CA C 101 63.104 62.739 0.365 1
1 1075 . 8 1 1 A 101 101 PRO HA H 101 4.483 4.534 -0.051 1
1 1076 . 8 1 1 A 101 101 PRO CB C 101 32.222 32.448 -0.226 1
1 1085 . 8 1 1 A 101 101 PRO C C 101 176.976 176.977 -0.001 1
1 1086 . 8 1 1 A 102 102 SER N N 102 116.530 119.734 -3.204 1
1 1087 . 8 1 1 A 102 102 SER H H 102 8.527 8.333 0.194 1
1 1088 . 8 1 1 A 102 102 SER CA C 102 58.283 59.965 -1.682 1
1 1089 . 8 1 1 A 102 102 SER HA H 102 4.433 4.527 -0.094 1
1 1090 . 8 1 1 A 102 102 SER CB C 102 64.078 63.394 0.684 1
1 1093 . 8 1 1 A 102 102 SER C C 102 174.510 173.163 1.347 1
1 1094 . 8 1 1 A 103 103 ASP N N 103 123.018 127.450 -4.432 1
1 1095 . 8 1 1 A 103 103 ASP H H 103 8.450 9.074 -0.624 1
1 1096 . 8 1 1 A 103 103 ASP CA C 103 54.431 52.749 1.682 1
1 1097 . 8 1 1 A 103 103 ASP HA H 103 4.654 5.346 -0.692 1
1 1098 . 8 1 1 A 103 103 ASP CB C 103 41.226 44.821 -3.595 1
1 1101 . 8 1 1 A 103 103 ASP C C 103 175.889 173.481 2.408 1
1 1102 . 8 1 1 A 104 104 ASP N N 104 120.896 124.093 -3.197 1
1 1103 . 8 1 1 A 104 104 ASP H H 104 8.264 8.811 -0.547 1
1 1104 . 8 1 1 A 104 104 ASP CA C 104 54.283 52.453 1.830 1
1 1105 . 8 1 1 A 104 104 ASP HA H 104 4.601 5.333 -0.732 1
1 1106 . 8 1 1 A 104 104 ASP CB C 104 41.183 44.100 -2.917 1
1 1109 . 8 1 1 A 104 104 ASP C C 104 175.065 175.470 -0.405 1
1 1 . 9 1 1 A 7 7 GLY N N 7 110.767 112.106 -1.339 1
1 2 . 9 1 1 A 7 7 GLY H H 7 8.421 8.928 -0.507 1
1 3 . 9 1 1 A 7 7 GLY CA C 7 45.393 45.420 -0.027 1
1 4 . 9 1 1 A 7 7 GLY HA2 H 7 4.003 4.032 -0.029 1
1 5 . 9 1 1 A 7 7 GLY HA3 H 7 4.003 4.036 -0.033 1
1 6 . 9 1 1 A 7 7 GLY C C 7 174.160 174.919 -0.759 1
1 7 . 9 1 1 A 8 8 GLU N N 8 120.419 119.993 0.426 1
1 8 . 9 1 1 A 8 8 GLU H H 8 8.320 7.905 0.415 1
1 9 . 9 1 1 A 8 8 GLU CA C 8 56.499 58.568 -2.069 1
1 10 . 9 1 1 A 8 8 GLU HA H 8 4.390 4.226 0.164 1
1 11 . 9 1 1 A 8 8 GLU CB C 8 30.615 29.540 1.075 1
1 17 . 9 1 1 A 8 8 GLU C C 8 176.858 177.640 -0.782 1
1 18 . 9 1 1 A 9 9 GLY N N 9 109.731 112.363 -2.632 1
1 19 . 9 1 1 A 9 9 GLY H H 9 8.522 8.784 -0.262 1
1 20 . 9 1 1 A 9 9 GLY CA C 9 45.110 45.590 -0.480 1
1 21 . 9 1 1 A 9 9 GLY HA2 H 9 4.090 4.017 0.073 1
1 22 . 9 1 1 A 9 9 GLY HA3 H 9 3.931 4.071 -0.140 1
1 23 . 9 1 1 A 9 9 GLY C C 9 173.933 174.123 -0.190 1
1 24 . 9 1 1 A 10 10 GLY N N 10 107.139 110.587 -3.448 1
1 25 . 9 1 1 A 10 10 GLY H H 10 8.393 8.199 0.194 1
1 26 . 9 1 1 A 10 10 GLY CA C 10 45.039 45.464 -0.425 1
1 27 . 9 1 1 A 10 10 GLY HA2 H 10 3.868 4.320 -0.452 1
1 28 . 9 1 1 A 10 10 GLY HA3 H 10 4.528 4.324 0.204 1
1 29 . 9 1 1 A 10 10 GLY C C 10 174.561 174.442 0.119 1
1 30 . 9 1 1 A 11 11 ALA N N 11 122.466 122.283 0.183 1
1 31 . 9 1 1 A 11 11 ALA H H 11 8.875 8.383 0.492 1
1 32 . 9 1 1 A 11 11 ALA CA C 11 55.391 54.912 0.479 1
1 33 . 9 1 1 A 11 11 ALA HA H 11 3.803 4.262 -0.459 1
1 34 . 9 1 1 A 11 11 ALA CB C 11 19.583 18.881 0.702 1
1 38 . 9 1 1 A 11 11 ALA C C 11 178.242 180.119 -1.877 1
1 39 . 9 1 1 A 12 12 HIS N N 12 111.513 115.442 -3.929 1
1 40 . 9 1 1 A 12 12 HIS H H 12 8.290 8.617 -0.327 1
1 41 . 9 1 1 A 12 12 HIS CA C 12 57.847 59.310 -1.463 1
1 42 . 9 1 1 A 12 12 HIS HA H 12 4.443 4.280 0.163 1
1 43 . 9 1 1 A 12 12 HIS CB C 12 29.321 28.780 0.541 1
1 50 . 9 1 1 A 12 12 HIS C C 12 176.189 177.990 -1.801 1
1 51 . 9 1 1 A 13 13 LYS N N 13 118.111 119.414 -1.303 1
1 52 . 9 1 1 A 13 13 LYS H H 13 7.558 6.898 0.660 1
1 53 . 9 1 1 A 13 13 LYS CA C 13 54.660 59.017 -4.357 1
1 54 . 9 1 1 A 13 13 LYS HA H 13 4.202 3.737 0.465 1
1 55 . 9 1 1 A 13 13 LYS CB C 13 32.655 31.990 0.665 1
1 67 . 9 1 1 A 13 13 LYS C C 13 176.721 177.588 -0.867 1
1 68 . 9 1 1 A 14 14 VAL N N 14 123.625 119.856 3.769 1
1 69 . 9 1 1 A 14 14 VAL H H 14 7.499 7.362 0.137 1
1 70 . 9 1 1 A 14 14 VAL CA C 14 63.247 63.009 0.238 1
1 71 . 9 1 1 A 14 14 VAL HA H 14 3.907 3.688 0.219 1
1 72 . 9 1 1 A 14 14 VAL CB C 14 31.649 31.669 -0.020 1
1 82 . 9 1 1 A 15 15 ARG H H 15 8.106 8.022 0.084 1
1 83 . 9 1 1 A 15 15 ARG CA C 15 53.791 54.152 -0.361 1
1 84 . 9 1 1 A 15 15 ARG HA H 15 5.021 5.145 -0.124 1
1 85 . 9 1 1 A 15 15 ARG CB C 15 34.207 34.393 -0.186 1
1 94 . 9 1 1 A 16 16 ALA N N 16 123.795 122.973 0.822 1
1 95 . 9 1 1 A 16 16 ALA H H 16 8.875 8.480 0.395 1
1 96 . 9 1 1 A 16 16 ALA CA C 16 51.092 51.013 0.079 1
1 97 . 9 1 1 A 16 16 ALA HA H 16 5.569 4.909 0.660 1
1 98 . 9 1 1 A 16 16 ALA CB C 16 23.845 22.813 1.032 1
1 102 . 9 1 1 A 17 17 GLY N N 17 106.516 107.619 -1.103 1
1 103 . 9 1 1 A 17 17 GLY H H 17 8.616 8.269 0.347 1
1 104 . 9 1 1 A 17 17 GLY CA C 17 46.205 45.803 0.402 1
1 105 . 9 1 1 A 17 17 GLY HA2 H 17 4.289 4.276 0.013 1
1 106 . 9 1 1 A 17 17 GLY HA3 H 17 4.226 4.350 -0.124 1
1 107 . 9 1 1 A 18 18 GLY N N 18 111.804 108.374 3.430 1
1 108 . 9 1 1 A 18 18 GLY H H 18 8.816 8.424 0.392 1
1 109 . 9 1 1 A 18 18 GLY CA C 18 44.595 44.719 -0.124 1
1 110 . 9 1 1 A 18 18 GLY HA2 H 18 4.105 4.285 -0.180 1
1 111 . 9 1 1 A 18 18 GLY HA3 H 18 4.105 4.332 -0.227 1
1 112 . 9 1 1 A 19 19 PRO CA C 19 65.526 63.629 1.897 1
1 113 . 9 1 1 A 19 19 PRO HA H 19 4.335 4.228 0.107 1
1 114 . 9 1 1 A 19 19 PRO CB C 19 31.790 31.491 0.299 1
1 123 . 9 1 1 A 19 19 PRO C C 19 179.208 177.480 1.728 1
1 124 . 9 1 1 A 20 20 GLY N N 20 103.234 111.958 -8.724 1
1 125 . 9 1 1 A 20 20 GLY H H 20 9.282 8.809 0.473 1
1 126 . 9 1 1 A 20 20 GLY CA C 20 46.361 45.565 0.796 1
1 127 . 9 1 1 A 20 20 GLY HA2 H 20 3.214 3.975 -0.761 1
1 128 . 9 1 1 A 20 20 GLY HA3 H 20 4.184 4.092 0.092 1
1 129 . 9 1 1 A 20 20 GLY C C 20 172.711 176.090 -3.379 1
1 130 . 9 1 1 A 21 21 LEU N N 21 116.307 121.116 -4.809 1
1 131 . 9 1 1 A 21 21 LEU H H 21 7.559 8.075 -0.516 1
1 132 . 9 1 1 A 21 21 LEU CA C 21 53.980 57.224 -3.244 1
1 133 . 9 1 1 A 21 21 LEU HA H 21 4.166 3.952 0.214 1
1 134 . 9 1 1 A 21 21 LEU CB C 21 40.135 41.246 -1.111 1
1 147 . 9 1 1 A 21 21 LEU C C 21 175.859 179.094 -3.235 1
1 148 . 9 1 1 A 22 22 GLU N N 22 119.926 117.287 2.639 1
1 149 . 9 1 1 A 22 22 GLU H H 22 7.927 8.501 -0.574 1
1 150 . 9 1 1 A 22 22 GLU CA C 22 57.490 59.193 -1.703 1
1 151 . 9 1 1 A 22 22 GLU HA H 22 4.511 4.189 0.322 1
1 152 . 9 1 1 A 22 22 GLU CB C 22 32.057 29.062 2.995 1
1 158 . 9 1 1 A 22 22 GLU C C 22 175.521 176.351 -0.830 1
1 159 . 9 1 1 A 23 23 ARG N N 23 116.789 119.428 -2.639 1
1 160 . 9 1 1 A 23 23 ARG H H 23 8.340 7.616 0.724 1
1 161 . 9 1 1 A 23 23 ARG CA C 23 56.464 55.580 0.884 1
1 162 . 9 1 1 A 23 23 ARG HA H 23 4.688 4.768 -0.080 1
1 163 . 9 1 1 A 23 23 ARG CB C 23 32.571 33.910 -1.339 1
1 174 . 9 1 1 A 23 23 ARG C C 23 173.992 174.539 -0.547 1
1 175 . 9 1 1 A 24 24 GLY N N 24 108.837 111.801 -2.964 1
1 176 . 9 1 1 A 24 24 GLY H H 24 8.736 8.662 0.074 1
1 177 . 9 1 1 A 24 24 GLY CA C 24 43.943 44.675 -0.732 1
1 178 . 9 1 1 A 24 24 GLY HA2 H 24 3.510 4.411 -0.901 1
1 179 . 9 1 1 A 24 24 GLY HA3 H 24 4.679 4.489 0.190 1
1 180 . 9 1 1 A 24 24 GLY C C 24 171.930 172.406 -0.476 1
1 181 . 9 1 1 A 25 25 GLU N N 25 122.126 120.882 1.244 1
1 182 . 9 1 1 A 25 25 GLU H H 25 9.429 8.573 0.856 1
1 183 . 9 1 1 A 25 25 GLU CA C 25 54.209 54.757 -0.548 1
1 184 . 9 1 1 A 25 25 GLU HA H 25 5.049 5.258 -0.209 1
1 185 . 9 1 1 A 25 25 GLU CB C 25 32.945 32.784 0.161 1
1 191 . 9 1 1 A 25 25 GLU C C 25 175.853 175.714 0.139 1
1 192 . 9 1 1 A 26 26 ALA N N 26 128.654 128.122 0.532 1
1 193 . 9 1 1 A 26 26 ALA H H 26 8.518 8.879 -0.361 1
1 194 . 9 1 1 A 26 26 ALA CA C 26 53.187 53.967 -0.780 1
1 195 . 9 1 1 A 26 26 ALA HA H 26 3.855 4.332 -0.477 1
1 196 . 9 1 1 A 26 26 ALA CB C 26 17.420 18.590 -1.170 1
1 200 . 9 1 1 A 26 26 ALA C C 26 177.837 178.051 -0.214 1
1 201 . 9 1 1 A 27 27 GLY N N 27 108.210 110.856 -2.646 1
1 202 . 9 1 1 A 27 27 GLY H H 27 8.583 8.699 -0.116 1
1 203 . 9 1 1 A 27 27 GLY CA C 27 45.619 45.020 0.599 1
1 204 . 9 1 1 A 27 27 GLY HA2 H 27 3.364 4.005 -0.641 1
1 205 . 9 1 1 A 27 27 GLY HA3 H 27 4.158 4.006 0.152 1
1 206 . 9 1 1 A 27 27 GLY C C 27 173.084 173.819 -0.735 1
1 207 . 9 1 1 A 28 28 VAL N N 28 122.974 122.095 0.879 1
1 208 . 9 1 1 A 28 28 VAL H H 28 7.878 7.925 -0.047 1
1 209 . 9 1 1 A 28 28 VAL CA C 28 59.182 59.056 0.126 1
1 210 . 9 1 1 A 28 28 VAL HA H 28 4.510 4.296 0.214 1
1 211 . 9 1 1 A 28 28 VAL CB C 28 34.549 32.807 1.742 1
1 221 . 9 1 1 A 28 28 VAL C C 28 174.171 174.702 -0.531 1
1 222 . 9 1 1 A 29 29 PRO CA C 29 64.354 62.218 2.136 1
1 223 . 9 1 1 A 29 29 PRO HA H 29 4.064 4.604 -0.540 1
1 224 . 9 1 1 A 29 29 PRO CB C 29 31.464 31.460 0.004 1
1 233 . 9 1 1 A 29 29 PRO C C 29 174.718 175.787 -1.069 1
1 234 . 9 1 1 A 30 30 ALA N N 30 131.821 126.977 4.844 1
1 235 . 9 1 1 A 30 30 ALA H H 30 8.990 8.163 0.827 1
1 236 . 9 1 1 A 30 30 ALA CA C 30 50.482 50.740 -0.258 1
1 237 . 9 1 1 A 30 30 ALA HA H 30 4.558 4.554 0.004 1
1 238 . 9 1 1 A 30 30 ALA CB C 30 18.793 19.567 -0.774 1
1 242 . 9 1 1 A 30 30 ALA C C 30 176.319 176.276 0.043 1
1 243 . 9 1 1 A 31 31 GLU N N 31 119.523 120.452 -0.929 1
1 244 . 9 1 1 A 31 31 GLU H H 31 8.273 8.731 -0.458 1
1 245 . 9 1 1 A 31 31 GLU CA C 31 55.261 54.957 0.304 1
1 246 . 9 1 1 A 31 31 GLU HA H 31 5.290 5.427 -0.137 1
1 247 . 9 1 1 A 31 31 GLU CB C 31 33.484 32.720 0.764 1
1 253 . 9 1 1 A 31 31 GLU C C 31 176.617 175.611 1.006 1
1 254 . 9 1 1 A 32 32 PHE N N 32 115.139 118.271 -3.132 1
1 255 . 9 1 1 A 32 32 PHE H H 32 8.905 7.795 1.110 1
1 256 . 9 1 1 A 32 32 PHE CA C 32 57.490 55.031 2.459 1
1 257 . 9 1 1 A 32 32 PHE HA H 32 5.031 6.045 -1.014 1
1 258 . 9 1 1 A 32 32 PHE CB C 32 39.989 42.357 -2.368 1
1 271 . 9 1 1 A 32 32 PHE C C 32 172.714 173.909 -1.195 1
1 272 . 9 1 1 A 33 33 SER CA C 33 57.324 58.415 -1.091 1
1 273 . 9 1 1 A 33 33 SER HA H 33 5.404 4.853 0.551 1
1 274 . 9 1 1 A 33 33 SER CB C 33 66.623 63.911 2.712 1
1 277 . 9 1 1 A 34 34 ILE N N 34 127.688 127.300 0.388 1
1 278 . 9 1 1 A 34 34 ILE H H 34 9.577 9.168 0.409 1
1 279 . 9 1 1 A 34 34 ILE CA C 34 60.614 60.516 0.098 1
1 280 . 9 1 1 A 34 34 ILE HA H 34 4.668 4.874 -0.206 1
1 281 . 9 1 1 A 34 34 ILE CB C 34 41.681 38.832 2.849 1
1 294 . 9 1 1 A 35 35 TRP CA C 35 58.440 54.677 3.763 1
1 295 . 9 1 1 A 35 35 TRP HA H 35 5.262 5.907 -0.645 1
1 296 . 9 1 1 A 35 35 TRP CB C 35 30.511 32.360 -1.849 1
1 311 . 9 1 1 A 36 36 THR N N 36 114.021 118.440 -4.419 1
1 312 . 9 1 1 A 36 36 THR H H 36 8.680 8.797 -0.117 1
1 313 . 9 1 1 A 36 36 THR CA C 36 61.459 60.681 0.778 1
1 314 . 9 1 1 A 36 36 THR HA H 36 4.364 4.411 -0.047 1
1 315 . 9 1 1 A 36 36 THR CB C 36 69.197 69.725 -0.528 1
1 321 . 9 1 1 A 37 37 ARG CA C 37 56.501 58.457 -1.956 1
1 322 . 9 1 1 A 37 37 ARG HA H 37 4.207 4.388 -0.181 1
1 323 . 9 1 1 A 37 37 ARG CB C 37 30.884 30.859 0.025 1
1 332 . 9 1 1 A 37 37 ARG C C 37 173.005 176.691 -3.686 1
1 333 . 9 1 1 A 38 38 GLU H H 38 8.371 7.910 0.461 1
1 334 . 9 1 1 A 38 38 GLU CA C 38 56.895 55.975 0.920 1
1 335 . 9 1 1 A 38 38 GLU HA H 38 4.270 4.471 -0.201 1
1 336 . 9 1 1 A 38 38 GLU CB C 38 30.001 28.209 1.792 1
1 342 . 9 1 1 A 39 39 ALA N N 39 121.133 125.397 -4.264 1
1 343 . 9 1 1 A 39 39 ALA H H 39 7.665 8.057 -0.392 1
1 344 . 9 1 1 A 39 39 ALA CA C 39 52.963 51.565 1.398 1
1 345 . 9 1 1 A 39 39 ALA HA H 39 3.964 4.765 -0.801 1
1 346 . 9 1 1 A 39 39 ALA CB C 39 21.097 22.866 -1.769 1
1 350 . 9 1 1 A 39 39 ALA C C 39 177.871 176.644 1.227 1
1 351 . 9 1 1 A 40 40 GLY N N 40 105.600 106.669 -1.069 1
1 352 . 9 1 1 A 40 40 GLY H H 40 7.654 8.756 -1.102 1
1 353 . 9 1 1 A 40 40 GLY CA C 40 44.261 44.441 -0.180 1
1 354 . 9 1 1 A 40 40 GLY HA2 H 40 3.766 4.148 -0.382 1
1 355 . 9 1 1 A 40 40 GLY HA3 H 40 4.196 4.149 0.047 1
1 356 . 9 1 1 A 40 40 GLY C C 40 172.824 174.729 -1.905 1
1 357 . 9 1 1 A 41 41 ALA N N 41 122.720 121.962 0.758 1
1 358 . 9 1 1 A 41 41 ALA H H 41 8.364 8.256 0.108 1
1 359 . 9 1 1 A 41 41 ALA CA C 41 52.502 51.952 0.550 1
1 360 . 9 1 1 A 41 41 ALA HA H 41 4.396 4.498 -0.102 1
1 361 . 9 1 1 A 41 41 ALA CB C 41 19.295 18.802 0.493 1
1 365 . 9 1 1 A 41 41 ALA C C 41 178.393 177.563 0.830 1
1 366 . 9 1 1 A 42 42 GLY N N 42 109.713 106.979 2.734 1
1 367 . 9 1 1 A 42 42 GLY H H 42 8.194 8.082 0.112 1
1 368 . 9 1 1 A 42 42 GLY CA C 42 45.853 44.626 1.227 1
1 369 . 9 1 1 A 42 42 GLY HA2 H 42 3.616 3.562 0.054 1
1 370 . 9 1 1 A 42 42 GLY HA3 H 42 3.761 3.879 -0.118 1
1 371 . 9 1 1 A 42 42 GLY C C 42 172.178 173.229 -1.051 1
1 372 . 9 1 1 A 43 43 GLY N N 43 105.505 109.643 -4.138 1
1 373 . 9 1 1 A 43 43 GLY H H 43 7.422 7.902 -0.480 1
1 374 . 9 1 1 A 43 43 GLY CA C 43 44.382 43.996 0.386 1
1 375 . 9 1 1 A 43 43 GLY HA2 H 43 3.420 4.266 -0.846 1
1 376 . 9 1 1 A 43 43 GLY HA3 H 43 4.295 4.320 -0.025 1
1 377 . 9 1 1 A 43 43 GLY C C 43 172.885 172.384 0.501 1
1 378 . 9 1 1 A 44 44 LEU N N 44 125.007 121.513 3.494 1
1 379 . 9 1 1 A 44 44 LEU H H 44 8.525 8.578 -0.053 1
1 380 . 9 1 1 A 44 44 LEU CA C 44 53.589 53.469 0.120 1
1 381 . 9 1 1 A 44 44 LEU HA H 44 5.357 5.091 0.266 1
1 382 . 9 1 1 A 44 44 LEU CB C 44 45.602 45.942 -0.340 1
1 395 . 9 1 1 A 44 44 LEU C C 44 177.034 176.101 0.933 1
1 396 . 9 1 1 A 45 45 SER N N 45 117.626 121.562 -3.936 1
1 397 . 9 1 1 A 45 45 SER H H 45 9.010 8.658 0.352 1
1 398 . 9 1 1 A 45 45 SER CA C 45 57.065 57.695 -0.630 1
1 399 . 9 1 1 A 45 45 SER HA H 45 4.660 5.047 -0.387 1
1 400 . 9 1 1 A 45 45 SER CB C 45 65.309 65.480 -0.171 1
1 403 . 9 1 1 A 45 45 SER C C 45 172.724 173.130 -0.406 1
1 404 . 9 1 1 A 46 46 ILE N N 46 125.604 127.831 -2.227 1
1 405 . 9 1 1 A 46 46 ILE H H 46 8.584 9.024 -0.440 1
1 406 . 9 1 1 A 46 46 ILE CA C 46 59.369 60.044 -0.675 1
1 407 . 9 1 1 A 46 46 ILE HA H 46 5.182 5.035 0.147 1
1 408 . 9 1 1 A 46 46 ILE CB C 46 40.879 40.047 0.832 1
1 421 . 9 1 1 A 46 46 ILE C C 46 174.318 175.369 -1.051 1
1 422 . 9 1 1 A 47 47 ALA N N 47 128.948 127.812 1.136 1
1 423 . 9 1 1 A 47 47 ALA H H 47 8.762 8.749 0.013 1
1 424 . 9 1 1 A 47 47 ALA CA C 47 51.123 51.724 -0.601 1
1 425 . 9 1 1 A 47 47 ALA HA H 47 4.724 5.051 -0.327 1
1 426 . 9 1 1 A 47 47 ALA CB C 47 22.575 20.817 1.758 1
1 430 . 9 1 1 A 47 47 ALA C C 47 175.131 175.439 -0.308 1
1 431 . 9 1 1 A 48 48 VAL N N 48 121.512 123.872 -2.360 1
1 432 . 9 1 1 A 48 48 VAL H H 48 8.640 9.009 -0.369 1
1 433 . 9 1 1 A 48 48 VAL CA C 48 61.770 62.030 -0.260 1
1 434 . 9 1 1 A 48 48 VAL HA H 48 4.749 4.509 0.240 1
1 435 . 9 1 1 A 48 48 VAL CB C 48 33.642 31.727 1.915 1
1 445 . 9 1 1 A 48 48 VAL C C 48 174.870 175.629 -0.759 1
1 446 . 9 1 1 A 49 49 GLU N N 49 126.757 126.298 0.459 1
1 447 . 9 1 1 A 49 49 GLU H H 49 8.898 8.470 0.428 1
1 448 . 9 1 1 A 49 49 GLU CA C 49 54.457 54.772 -0.315 1
1 449 . 9 1 1 A 49 49 GLU HA H 49 5.003 5.294 -0.291 1
1 450 . 9 1 1 A 49 49 GLU CB C 49 33.209 32.814 0.395 1
1 456 . 9 1 1 A 49 49 GLU C C 49 175.282 176.164 -0.882 1
1 457 . 9 1 1 A 50 50 GLY N N 50 112.668 110.486 2.182 1
1 458 . 9 1 1 A 50 50 GLY H H 50 8.563 8.389 0.174 1
1 459 . 9 1 1 A 50 50 GLY CA C 50 45.534 45.083 0.451 1
1 460 . 9 1 1 A 50 50 GLY HA2 H 50 3.481 3.689 -0.208 1
1 461 . 9 1 1 A 50 50 GLY HA3 H 50 3.836 4.050 -0.214 1
1 462 . 9 1 1 A 50 50 GLY C C 50 171.670 173.948 -2.278 1
1 463 . 9 1 1 A 51 51 PRO CA C 51 64.371 64.133 0.238 1
1 464 . 9 1 1 A 51 51 PRO HA H 51 4.309 4.375 -0.066 1
1 465 . 9 1 1 A 51 51 PRO CB C 51 32.183 31.945 0.238 1
1 474 . 9 1 1 A 51 51 PRO C C 51 175.938 176.150 -0.212 1
1 475 . 9 1 1 A 52 52 SER N N 52 109.776 114.440 -4.664 1
1 476 . 9 1 1 A 52 52 SER H H 52 7.281 7.541 -0.260 1
1 477 . 9 1 1 A 52 52 SER CA C 52 56.747 57.519 -0.772 1
1 478 . 9 1 1 A 52 52 SER HA H 52 4.688 4.938 -0.250 1
1 479 . 9 1 1 A 52 52 SER CB C 52 65.901 67.428 -1.527 1
1 482 . 9 1 1 A 52 52 SER C C 52 172.748 172.589 0.159 1
1 483 . 9 1 1 A 53 53 LYS N N 53 121.441 123.310 -1.869 1
1 484 . 9 1 1 A 53 53 LYS H H 53 8.607 8.362 0.245 1
1 485 . 9 1 1 A 53 53 LYS CA C 53 56.641 56.677 -0.036 1
1 486 . 9 1 1 A 53 53 LYS HA H 53 4.391 4.401 -0.010 1
1 487 . 9 1 1 A 53 53 LYS CB C 53 32.323 33.188 -0.865 1
1 499 . 9 1 1 A 53 53 LYS C C 53 175.721 175.787 -0.066 1
1 500 . 9 1 1 A 54 54 ALA N N 54 129.914 128.562 1.352 1
1 501 . 9 1 1 A 54 54 ALA H H 54 8.941 8.785 0.156 1
1 502 . 9 1 1 A 54 54 ALA CA C 54 50.924 50.292 0.632 1
1 503 . 9 1 1 A 54 54 ALA HA H 54 4.962 5.230 -0.268 1
1 504 . 9 1 1 A 54 54 ALA CB C 54 20.004 22.416 -2.412 1
1 508 . 9 1 1 A 54 54 ALA C C 54 176.618 175.246 1.372 1
1 509 . 9 1 1 A 55 55 GLU N N 55 122.179 122.158 0.021 1
1 510 . 9 1 1 A 55 55 GLU H H 55 8.153 8.596 -0.443 1
1 511 . 9 1 1 A 55 55 GLU CA C 55 55.689 56.400 -0.711 1
1 512 . 9 1 1 A 55 55 GLU HA H 55 4.569 4.701 -0.132 1
1 513 . 9 1 1 A 55 55 GLU CB C 55 31.003 30.813 0.190 1
1 519 . 9 1 1 A 55 55 GLU C C 55 176.867 175.268 1.599 1
1 520 . 9 1 1 A 56 56 ILE N N 56 127.733 126.327 1.406 1
1 521 . 9 1 1 A 56 56 ILE H H 56 8.948 8.689 0.259 1
1 522 . 9 1 1 A 56 56 ILE CA C 56 61.345 60.371 0.974 1
1 523 . 9 1 1 A 56 56 ILE HA H 56 4.744 5.134 -0.390 1
1 524 . 9 1 1 A 56 56 ILE CB C 56 40.978 41.680 -0.702 1
1 537 . 9 1 1 A 56 56 ILE C C 56 175.675 174.729 0.946 1
1 538 . 9 1 1 A 57 57 THR N N 57 124.172 123.838 0.334 1
1 539 . 9 1 1 A 57 57 THR H H 57 9.410 8.920 0.490 1
1 540 . 9 1 1 A 57 57 THR CA C 57 61.999 61.349 0.650 1
1 541 . 9 1 1 A 57 57 THR HA H 57 4.504 5.038 -0.534 1
1 542 . 9 1 1 A 57 57 THR CB C 57 70.660 70.304 0.356 1
1 548 . 9 1 1 A 57 57 THR C C 57 172.131 172.779 -0.648 1
1 549 . 9 1 1 A 58 58 PHE N N 58 126.429 128.035 -1.606 1
1 550 . 9 1 1 A 58 58 PHE H H 58 8.796 9.130 -0.334 1
1 551 . 9 1 1 A 58 58 PHE CA C 58 56.680 56.329 0.351 1
1 552 . 9 1 1 A 58 58 PHE HA H 58 4.981 5.098 -0.117 1
1 553 . 9 1 1 A 58 58 PHE CB C 58 42.400 40.393 2.007 1
1 566 . 9 1 1 A 58 58 PHE C C 58 173.719 173.255 0.464 1
1 567 . 9 1 1 A 59 59 ASP N N 59 126.210 127.426 -1.216 1
1 568 . 9 1 1 A 59 59 ASP H H 59 8.707 8.883 -0.176 1
1 569 . 9 1 1 A 59 59 ASP CA C 59 52.784 53.809 -1.025 1
1 570 . 9 1 1 A 59 59 ASP HA H 59 4.677 4.931 -0.254 1
1 571 . 9 1 1 A 59 59 ASP CB C 59 42.738 41.420 1.318 1
1 574 . 9 1 1 A 59 59 ASP C C 59 173.710 174.227 -0.517 1
1 575 . 9 1 1 A 60 60 ASP N N 60 123.675 125.733 -2.058 1
1 576 . 9 1 1 A 60 60 ASP H H 60 8.490 8.838 -0.348 1
1 577 . 9 1 1 A 60 60 ASP CA C 60 53.871 52.663 1.208 1
1 578 . 9 1 1 A 60 60 ASP HA H 60 4.447 5.183 -0.736 1
1 579 . 9 1 1 A 60 60 ASP CB C 60 41.108 43.941 -2.833 1
1 582 . 9 1 1 A 60 60 ASP C C 60 176.691 174.773 1.918 1
1 583 . 9 1 1 A 61 61 HIS N N 61 124.385 123.001 1.384 1
1 584 . 9 1 1 A 61 61 HIS H H 61 8.122 8.343 -0.221 1
1 585 . 9 1 1 A 61 61 HIS CA C 61 55.608 55.673 -0.065 1
1 586 . 9 1 1 A 61 61 HIS HA H 61 4.769 4.985 -0.216 1
1 587 . 9 1 1 A 61 61 HIS CB C 61 28.607 31.685 -3.078 1
1 594 . 9 1 1 A 61 61 HIS C C 61 175.701 174.911 0.790 1
1 595 . 9 1 1 A 62 62 LYS N N 62 115.195 124.151 -8.956 1
1 596 . 9 1 1 A 62 62 LYS H H 62 9.178 8.421 0.757 1
1 597 . 9 1 1 A 62 62 LYS CA C 62 57.585 60.398 -2.813 1
1 598 . 9 1 1 A 62 62 LYS HA H 62 4.028 3.804 0.224 1
1 599 . 9 1 1 A 62 62 LYS CB C 62 29.373 32.434 -3.061 1
1 611 . 9 1 1 A 63 63 ASN N N 63 116.167 116.481 -0.314 1
1 612 . 9 1 1 A 63 63 ASN H H 63 7.900 8.215 -0.315 1
1 613 . 9 1 1 A 63 63 ASN CA C 63 52.056 55.408 -3.352 1
1 614 . 9 1 1 A 63 63 ASN HA H 63 4.835 4.650 0.185 1
1 615 . 9 1 1 A 63 63 ASN CB C 63 38.468 38.160 0.308 1
1 621 . 9 1 1 A 63 63 ASN C C 63 176.634 177.944 -1.310 1
1 622 . 9 1 1 A 64 64 GLY N N 64 108.877 110.535 -1.658 1
1 623 . 9 1 1 A 64 64 GLY H H 64 8.718 8.701 0.017 1
1 624 . 9 1 1 A 64 64 GLY CA C 64 45.534 47.260 -1.726 1
1 625 . 9 1 1 A 64 64 GLY HA2 H 64 3.619 3.701 -0.082 1
1 626 . 9 1 1 A 64 64 GLY HA3 H 64 4.247 3.722 0.525 1
1 627 . 9 1 1 A 65 65 SER N N 65 115.229 115.959 -0.730 1
1 628 . 9 1 1 A 65 65 SER H H 65 7.962 8.192 -0.230 1
1 629 . 9 1 1 A 65 65 SER CA C 65 57.108 58.975 -1.867 1
1 630 . 9 1 1 A 65 65 SER HA H 65 5.531 4.143 1.388 1
1 631 . 9 1 1 A 65 65 SER CB C 65 67.290 60.889 6.401 1
1 634 . 9 1 1 A 66 66 CYS N N 66 118.007 119.559 -1.552 1
1 635 . 9 1 1 A 66 66 CYS H H 66 8.807 7.956 0.851 1
1 636 . 9 1 1 A 66 66 CYS CA C 66 56.476 61.355 -4.879 1
1 637 . 9 1 1 A 66 66 CYS HA H 66 4.672 4.135 0.537 1
1 638 . 9 1 1 A 66 66 CYS CB C 66 31.077 28.024 3.053 1
1 641 . 9 1 1 A 67 67 GLY N N 67 112.448 105.399 7.049 1
1 642 . 9 1 1 A 67 67 GLY H H 67 8.679 7.288 1.391 1
1 643 . 9 1 1 A 67 67 GLY CA C 67 45.004 44.555 0.449 1
1 644 . 9 1 1 A 67 67 GLY HA2 H 67 3.629 3.996 -0.367 1
1 645 . 9 1 1 A 67 67 GLY HA3 H 67 4.645 4.017 0.628 1
1 646 . 9 1 1 A 67 67 GLY C C 67 171.754 172.274 -0.520 1
1 647 . 9 1 1 A 68 68 VAL N N 68 123.840 120.968 2.872 1
1 648 . 9 1 1 A 68 68 VAL H H 68 8.486 8.065 0.421 1
1 649 . 9 1 1 A 68 68 VAL CA C 68 60.143 61.265 -1.122 1
1 650 . 9 1 1 A 68 68 VAL HA H 68 4.579 4.812 -0.233 1
1 651 . 9 1 1 A 68 68 VAL CB C 68 33.946 33.156 0.790 1
1 661 . 9 1 1 A 68 68 VAL C C 68 174.396 174.939 -0.543 1
1 662 . 9 1 1 A 69 69 SER N N 69 119.414 121.129 -1.715 1
1 663 . 9 1 1 A 69 69 SER H H 69 8.450 8.532 -0.082 1
1 664 . 9 1 1 A 69 69 SER CA C 69 56.169 55.532 0.637 1
1 665 . 9 1 1 A 69 69 SER HA H 69 5.442 5.539 -0.097 1
1 666 . 9 1 1 A 69 69 SER CB C 69 65.640 66.331 -0.691 1
1 669 . 9 1 1 A 69 69 SER C C 69 173.189 173.503 -0.314 1
1 670 . 9 1 1 A 70 70 TYR N N 70 119.504 117.669 1.835 1
1 671 . 9 1 1 A 70 70 TYR H H 70 8.771 8.783 -0.012 1
1 672 . 9 1 1 A 70 70 TYR CA C 70 54.962 55.875 -0.913 1
1 673 . 9 1 1 A 70 70 TYR HA H 70 5.922 5.768 0.154 1
1 674 . 9 1 1 A 70 70 TYR CB C 70 42.710 42.117 0.593 1
1 685 . 9 1 1 A 70 70 TYR C C 70 173.056 173.384 -0.328 1
1 686 . 9 1 1 A 71 71 ILE N N 71 117.727 122.604 -4.877 1
1 687 . 9 1 1 A 71 71 ILE H H 71 8.196 8.669 -0.473 1
1 688 . 9 1 1 A 71 71 ILE CA C 71 60.132 59.777 0.355 1
1 689 . 9 1 1 A 71 71 ILE HA H 71 4.161 4.767 -0.606 1
1 690 . 9 1 1 A 71 71 ILE CB C 71 40.790 41.641 -0.851 1
1 703 . 9 1 1 A 71 71 ILE C C 71 175.114 174.781 0.333 1
1 704 . 9 1 1 A 72 72 ALA N N 72 133.145 129.502 3.643 1
1 705 . 9 1 1 A 72 72 ALA H H 72 9.466 8.500 0.966 1
1 706 . 9 1 1 A 72 72 ALA CA C 72 50.261 50.426 -0.165 1
1 707 . 9 1 1 A 72 72 ALA HA H 72 4.567 4.665 -0.098 1
1 708 . 9 1 1 A 72 72 ALA CB C 72 19.699 19.820 -0.121 1
1 712 . 9 1 1 A 72 72 ALA C C 72 177.170 177.862 -0.692 1
1 713 . 9 1 1 A 73 73 GLN N N 73 120.464 124.388 -3.924 1
1 714 . 9 1 1 A 73 73 GLN H H 73 8.649 8.665 -0.016 1
1 715 . 9 1 1 A 73 73 GLN CA C 73 57.614 58.967 -1.353 1
1 716 . 9 1 1 A 73 73 GLN HA H 73 4.083 4.099 -0.016 1
1 717 . 9 1 1 A 73 73 GLN CB C 73 29.667 28.761 0.906 1
1 726 . 9 1 1 A 73 73 GLN C C 73 175.643 176.342 -0.699 1
1 727 . 9 1 1 A 74 74 GLU N N 74 114.557 117.618 -3.061 1
1 728 . 9 1 1 A 74 74 GLU H H 74 7.102 8.188 -1.086 1
1 729 . 9 1 1 A 74 74 GLU CA C 74 52.242 53.033 -0.791 1
1 730 . 9 1 1 A 74 74 GLU HA H 74 4.988 4.808 0.180 1
1 731 . 9 1 1 A 74 74 GLU CB C 74 31.732 30.841 0.891 1
1 737 . 9 1 1 A 74 74 GLU C C 74 174.462 174.029 0.433 1
1 738 . 9 1 1 A 75 75 PRO CA C 75 63.007 63.279 -0.272 1
1 739 . 9 1 1 A 75 75 PRO HA H 75 4.335 4.686 -0.351 1
1 740 . 9 1 1 A 75 75 PRO CB C 75 32.866 32.906 -0.040 1
1 749 . 9 1 1 A 75 75 PRO C C 75 174.572 175.907 -1.335 1
1 750 . 9 1 1 A 76 76 GLY N N 76 107.234 107.536 -0.302 1
1 751 . 9 1 1 A 76 76 GLY H H 76 9.012 8.619 0.393 1
1 752 . 9 1 1 A 76 76 GLY CA C 76 44.615 44.910 -0.295 1
1 753 . 9 1 1 A 76 76 GLY HA2 H 76 3.850 4.137 -0.287 1
1 754 . 9 1 1 A 76 76 GLY HA3 H 76 4.201 4.192 0.009 1
1 755 . 9 1 1 A 76 76 GLY C C 76 171.133 173.049 -1.916 1
1 756 . 9 1 1 A 77 77 ASN N N 77 119.292 117.222 2.070 1
1 757 . 9 1 1 A 77 77 ASN H H 77 8.549 8.505 0.044 1
1 758 . 9 1 1 A 77 77 ASN CA C 77 52.364 52.080 0.284 1
1 759 . 9 1 1 A 77 77 ASN HA H 77 5.369 5.279 0.090 1
1 760 . 9 1 1 A 77 77 ASN CB C 77 39.176 38.882 0.294 1
1 766 . 9 1 1 A 77 77 ASN C C 77 174.470 173.771 0.699 1
1 767 . 9 1 1 A 78 78 TYR N N 78 123.809 124.622 -0.813 1
1 768 . 9 1 1 A 78 78 TYR H H 78 9.094 8.883 0.211 1
1 769 . 9 1 1 A 78 78 TYR CA C 78 56.818 57.861 -1.043 1
1 770 . 9 1 1 A 78 78 TYR HA H 78 4.859 4.908 -0.049 1
1 771 . 9 1 1 A 78 78 TYR CB C 78 39.860 39.718 0.142 1
1 782 . 9 1 1 A 78 78 TYR C C 78 174.184 175.025 -0.841 1
1 783 . 9 1 1 A 79 79 GLU N N 79 122.250 125.489 -3.239 1
1 784 . 9 1 1 A 79 79 GLU H H 79 9.259 8.987 0.272 1
1 785 . 9 1 1 A 79 79 GLU CA C 79 54.692 55.437 -0.745 1
1 786 . 9 1 1 A 79 79 GLU HA H 79 5.313 5.066 0.247 1
1 787 . 9 1 1 A 79 79 GLU CB C 79 32.159 30.783 1.376 1
1 793 . 9 1 1 A 79 79 GLU C C 79 176.631 174.893 1.738 1
1 794 . 9 1 1 A 80 80 VAL N N 80 131.418 127.463 3.955 1
1 795 . 9 1 1 A 80 80 VAL H H 80 9.761 8.687 1.074 1
1 796 . 9 1 1 A 80 80 VAL CA C 80 61.522 62.453 -0.931 1
1 797 . 9 1 1 A 80 80 VAL HA H 80 4.801 4.333 0.468 1
1 798 . 9 1 1 A 80 80 VAL CB C 80 32.818 32.585 0.233 1
1 808 . 9 1 1 A 80 80 VAL C C 80 175.573 174.747 0.826 1
1 809 . 9 1 1 A 81 81 SER N N 81 123.238 122.667 0.571 1
1 810 . 9 1 1 A 81 81 SER H H 81 9.457 9.074 0.383 1
1 811 . 9 1 1 A 81 81 SER CA C 81 57.589 56.873 0.716 1
1 812 . 9 1 1 A 81 81 SER HA H 81 5.167 5.066 0.101 1
1 813 . 9 1 1 A 81 81 SER CB C 81 64.882 64.477 0.405 1
1 816 . 9 1 1 A 81 81 SER C C 81 173.514 172.875 0.639 1
1 817 . 9 1 1 A 82 82 ILE N N 82 126.261 128.074 -1.813 1
1 818 . 9 1 1 A 82 82 ILE H H 82 9.642 9.117 0.525 1
1 819 . 9 1 1 A 82 82 ILE CA C 82 60.992 60.506 0.486 1
1 820 . 9 1 1 A 82 82 ILE HA H 82 4.667 5.230 -0.563 1
1 821 . 9 1 1 A 82 82 ILE CB C 82 40.692 38.896 1.796 1
1 834 . 9 1 1 A 82 82 ILE C C 82 173.498 175.217 -1.719 1
1 835 . 9 1 1 A 83 83 LYS N N 83 123.477 127.659 -4.182 1
1 836 . 9 1 1 A 83 83 LYS H H 83 8.720 8.912 -0.192 1
1 837 . 9 1 1 A 83 83 LYS CA C 83 53.730 54.768 -1.038 1
1 838 . 9 1 1 A 83 83 LYS HA H 83 5.139 5.058 0.081 1
1 839 . 9 1 1 A 83 83 LYS CB C 83 36.351 34.412 1.939 1
1 851 . 9 1 1 A 83 83 LYS C C 83 174.914 174.547 0.367 1
1 852 . 9 1 1 A 84 84 PHE N N 84 122.298 126.636 -4.338 1
1 853 . 9 1 1 A 84 84 PHE H H 84 9.154 9.019 0.135 1
1 854 . 9 1 1 A 84 84 PHE CA C 84 56.057 57.606 -1.549 1
1 855 . 9 1 1 A 84 84 PHE HA H 84 5.238 4.857 0.381 1
1 856 . 9 1 1 A 84 84 PHE CB C 84 43.136 40.587 2.549 1
1 867 . 9 1 1 A 84 84 PHE C C 84 175.864 176.087 -0.223 1
1 868 . 9 1 1 A 85 85 ASN N N 85 127.936 125.729 2.207 1
1 869 . 9 1 1 A 85 85 ASN H H 85 9.040 8.725 0.315 1
1 870 . 9 1 1 A 85 85 ASN CA C 85 54.448 53.642 0.806 1
1 871 . 9 1 1 A 85 85 ASN HA H 85 4.206 4.186 0.020 1
1 872 . 9 1 1 A 85 85 ASN CB C 85 36.554 35.801 0.753 1
1 878 . 9 1 1 A 85 85 ASN C C 85 174.620 173.904 0.716 1
1 879 . 9 1 1 A 86 86 ASP N N 86 108.763 112.388 -3.625 1
1 880 . 9 1 1 A 86 86 ASP H H 86 8.828 8.490 0.338 1
1 881 . 9 1 1 A 86 86 ASP CA C 86 56.405 55.480 0.925 1
1 882 . 9 1 1 A 86 86 ASP HA H 86 3.946 4.222 -0.276 1
1 883 . 9 1 1 A 86 86 ASP CB C 86 40.367 38.916 1.451 1
1 886 . 9 1 1 A 86 86 ASP C C 86 174.169 174.562 -0.393 1
1 887 . 9 1 1 A 87 87 GLU N N 87 119.289 117.172 2.117 1
1 888 . 9 1 1 A 87 87 GLU H H 87 7.510 7.483 0.027 1
1 889 . 9 1 1 A 87 87 GLU CA C 87 54.483 54.782 -0.299 1
1 890 . 9 1 1 A 87 87 GLU HA H 87 4.743 4.861 -0.118 1
1 891 . 9 1 1 A 87 87 GLU CB C 87 32.763 33.414 -0.651 1
1 897 . 9 1 1 A 87 87 GLU C C 87 175.825 175.375 0.450 1
1 898 . 9 1 1 A 88 88 HIS N N 88 123.465 120.713 2.752 1
1 899 . 9 1 1 A 88 88 HIS H H 88 8.822 9.154 -0.332 1
1 900 . 9 1 1 A 88 88 HIS CA C 88 59.117 55.657 3.460 1
1 901 . 9 1 1 A 88 88 HIS HA H 88 4.511 4.836 -0.325 1
1 902 . 9 1 1 A 88 88 HIS CB C 88 32.254 28.628 3.626 1
1 909 . 9 1 1 A 88 88 HIS C C 88 177.352 175.155 2.197 1
1 910 . 9 1 1 A 89 89 ILE N N 89 117.945 123.707 -5.762 1
1 911 . 9 1 1 A 89 89 ILE H H 89 8.131 8.448 -0.317 1
1 912 . 9 1 1 A 89 89 ILE CA C 89 61.121 60.178 0.943 1
1 913 . 9 1 1 A 89 89 ILE HA H 89 4.519 4.209 0.310 1
1 914 . 9 1 1 A 89 89 ILE CB C 89 35.538 37.721 -2.183 1
1 927 . 9 1 1 A 89 89 ILE C C 89 173.831 176.509 -2.678 1
1 928 . 9 1 1 A 90 90 PRO CA C 90 66.545 64.320 2.225 1
1 929 . 9 1 1 A 90 90 PRO HA H 90 4.223 4.531 -0.308 1
1 930 . 9 1 1 A 90 90 PRO CB C 90 31.693 31.571 0.122 1
1 939 . 9 1 1 A 90 90 PRO C C 90 177.046 176.686 0.360 1
1 940 . 9 1 1 A 91 91 GLU N N 91 113.835 116.131 -2.296 1
1 941 . 9 1 1 A 91 91 GLU H H 91 8.223 8.401 -0.178 1
1 942 . 9 1 1 A 91 91 GLU CA C 91 57.913 55.911 2.002 1
1 943 . 9 1 1 A 91 91 GLU HA H 91 3.733 4.211 -0.478 1
1 944 . 9 1 1 A 91 91 GLU CB C 91 27.681 30.388 -2.707 1
1 950 . 9 1 1 A 91 91 GLU C C 91 173.469 175.316 -1.847 1
1 951 . 9 1 1 A 92 92 SER N N 92 111.462 112.100 -0.638 1
1 952 . 9 1 1 A 92 92 SER H H 92 7.489 7.487 0.002 1
1 953 . 9 1 1 A 92 92 SER CA C 92 54.873 54.998 -0.125 1
1 954 . 9 1 1 A 92 92 SER HA H 92 4.427 4.397 0.030 1
1 955 . 9 1 1 A 92 92 SER CB C 92 63.317 64.718 -1.401 1
1 958 . 9 1 1 A 92 92 SER C C 92 174.195 172.491 1.704 1
1 959 . 9 1 1 A 93 93 PRO CA C 93 62.333 62.416 -0.083 1
1 960 . 9 1 1 A 93 93 PRO HA H 93 5.483 4.644 0.839 1
1 961 . 9 1 1 A 93 93 PRO CB C 93 34.386 32.681 1.705 1
1 970 . 9 1 1 A 93 93 PRO C C 93 176.059 174.773 1.286 1
1 971 . 9 1 1 A 94 94 TYR N N 94 122.179 119.236 2.943 1
1 972 . 9 1 1 A 94 94 TYR H H 94 9.372 8.873 0.499 1
1 973 . 9 1 1 A 94 94 TYR CA C 94 57.101 56.986 0.115 1
1 974 . 9 1 1 A 94 94 TYR HA H 94 4.531 5.133 -0.602 1
1 975 . 9 1 1 A 94 94 TYR CB C 94 40.027 41.429 -1.402 1
1 986 . 9 1 1 A 94 94 TYR C C 94 175.281 174.354 0.927 1
1 987 . 9 1 1 A 95 95 LEU N N 95 126.428 124.742 1.686 1
1 988 . 9 1 1 A 95 95 LEU H H 95 8.807 8.707 0.100 1
1 989 . 9 1 1 A 95 95 LEU CA C 95 54.200 53.654 0.546 1
1 990 . 9 1 1 A 95 95 LEU HA H 95 4.981 5.155 -0.174 1
1 991 . 9 1 1 A 95 95 LEU CB C 95 41.894 44.584 -2.690 1
1 1004 . 9 1 1 A 95 95 LEU C C 95 176.295 174.562 1.733 1
1 1005 . 9 1 1 A 96 96 VAL N N 96 130.944 127.782 3.162 1
1 1006 . 9 1 1 A 96 96 VAL H H 96 9.629 8.892 0.737 1
1 1007 . 9 1 1 A 96 96 VAL CA C 96 59.813 59.320 0.493 1
1 1008 . 9 1 1 A 96 96 VAL HA H 96 4.469 4.583 -0.114 1
1 1009 . 9 1 1 A 96 96 VAL CB C 96 35.052 33.067 1.985 1
1 1019 . 9 1 1 A 96 96 VAL C C 96 173.734 174.720 -0.986 1
1 1020 . 9 1 1 A 97 97 PRO CA C 97 62.379 62.367 0.012 1
1 1021 . 9 1 1 A 97 97 PRO HA H 97 5.016 4.773 0.243 1
1 1022 . 9 1 1 A 97 97 PRO CB C 97 32.163 29.927 2.236 1
1 1031 . 9 1 1 A 97 97 PRO C C 97 175.950 176.415 -0.465 1
1 1032 . 9 1 1 A 98 98 VAL N N 98 125.524 123.799 1.725 1
1 1033 . 9 1 1 A 98 98 VAL H H 98 9.196 8.381 0.815 1
1 1034 . 9 1 1 A 98 98 VAL CA C 98 61.345 62.708 -1.363 1
1 1035 . 9 1 1 A 98 98 VAL HA H 98 4.411 4.353 0.058 1
1 1036 . 9 1 1 A 98 98 VAL CB C 98 32.037 31.651 0.386 1
1 1046 . 9 1 1 A 98 98 VAL C C 98 176.996 176.050 0.946 1
1 1047 . 9 1 1 A 99 99 ILE N N 99 124.035 123.056 0.979 1
1 1048 . 9 1 1 A 99 99 ILE H H 99 8.392 8.721 -0.329 1
1 1049 . 9 1 1 A 99 99 ILE CA C 99 59.802 58.654 1.148 1
1 1050 . 9 1 1 A 99 99 ILE HA H 99 4.651 4.935 -0.284 1
1 1051 . 9 1 1 A 99 99 ILE CB C 99 40.609 41.472 -0.863 1
1 1064 . 9 1 1 A 99 99 ILE C C 99 175.482 174.720 0.762 1
1 1065 . 9 1 1 A 100 100 ALA N N 100 125.837 125.461 0.376 1
1 1066 . 9 1 1 A 100 100 ALA H H 100 8.714 8.554 0.160 1
1 1067 . 9 1 1 A 100 100 ALA CA C 100 50.416 50.178 0.238 1
1 1068 . 9 1 1 A 100 100 ALA HA H 100 4.603 4.488 0.115 1
1 1069 . 9 1 1 A 100 100 ALA CB C 100 18.088 19.701 -1.613 1
1 1073 . 9 1 1 A 100 100 ALA C C 100 175.264 176.294 -1.030 1
1 1074 . 9 1 1 A 101 101 PRO CA C 101 63.104 62.743 0.361 1
1 1075 . 9 1 1 A 101 101 PRO HA H 101 4.483 4.526 -0.043 1
1 1076 . 9 1 1 A 101 101 PRO CB C 101 32.222 32.008 0.214 1
1 1085 . 9 1 1 A 101 101 PRO C C 101 176.976 177.262 -0.286 1
1 1086 . 9 1 1 A 102 102 SER N N 102 116.530 118.874 -2.344 1
1 1087 . 9 1 1 A 102 102 SER H H 102 8.527 8.392 0.135 1
1 1088 . 9 1 1 A 102 102 SER CA C 102 58.283 60.569 -2.286 1
1 1089 . 9 1 1 A 102 102 SER HA H 102 4.433 4.310 0.123 1
1 1090 . 9 1 1 A 102 102 SER CB C 102 64.078 64.069 0.009 1
1 1093 . 9 1 1 A 102 102 SER C C 102 174.510 173.733 0.777 1
1 1094 . 9 1 1 A 103 103 ASP N N 103 123.018 125.924 -2.906 1
1 1095 . 9 1 1 A 103 103 ASP H H 103 8.450 8.802 -0.352 1
1 1096 . 9 1 1 A 103 103 ASP CA C 103 54.431 53.660 0.771 1
1 1097 . 9 1 1 A 103 103 ASP HA H 103 4.654 4.779 -0.125 1
1 1098 . 9 1 1 A 103 103 ASP CB C 103 41.226 40.342 0.884 1
1 1101 . 9 1 1 A 103 103 ASP C C 103 175.889 175.539 0.350 1
1 1102 . 9 1 1 A 104 104 ASP N N 104 120.896 126.105 -5.209 1
1 1103 . 9 1 1 A 104 104 ASP H H 104 8.264 8.800 -0.536 1
1 1104 . 9 1 1 A 104 104 ASP CA C 104 54.283 56.910 -2.627 1
1 1105 . 9 1 1 A 104 104 ASP HA H 104 4.601 4.429 0.172 1
1 1106 . 9 1 1 A 104 104 ASP CB C 104 41.183 41.412 -0.229 1
1 1109 . 9 1 1 A 104 104 ASP C C 104 175.065 176.577 -1.512 1
1 1 . 10 1 1 A 7 7 GLY N N 7 110.767 114.213 -3.446 1
1 2 . 10 1 1 A 7 7 GLY H H 7 8.421 8.913 -0.492 1
1 3 . 10 1 1 A 7 7 GLY CA C 7 45.393 47.248 -1.855 1
1 4 . 10 1 1 A 7 7 GLY HA2 H 7 4.003 3.893 0.110 1
1 5 . 10 1 1 A 7 7 GLY HA3 H 7 4.003 3.895 0.108 1
1 6 . 10 1 1 A 7 7 GLY C C 7 174.160 175.625 -1.465 1
1 7 . 10 1 1 A 8 8 GLU N N 8 120.419 119.635 0.784 1
1 8 . 10 1 1 A 8 8 GLU H H 8 8.320 8.399 -0.079 1
1 9 . 10 1 1 A 8 8 GLU CA C 8 56.499 56.201 0.298 1
1 10 . 10 1 1 A 8 8 GLU HA H 8 4.390 4.353 0.037 1
1 11 . 10 1 1 A 8 8 GLU CB C 8 30.615 29.165 1.450 1
1 17 . 10 1 1 A 8 8 GLU C C 8 176.858 176.380 0.478 1
1 18 . 10 1 1 A 9 9 GLY N N 9 109.731 109.758 -0.027 1
1 19 . 10 1 1 A 9 9 GLY H H 9 8.522 8.137 0.385 1
1 20 . 10 1 1 A 9 9 GLY CA C 9 45.110 44.787 0.323 1
1 21 . 10 1 1 A 9 9 GLY HA2 H 9 4.090 4.120 -0.030 1
1 22 . 10 1 1 A 9 9 GLY HA3 H 9 3.931 4.161 -0.230 1
1 23 . 10 1 1 A 9 9 GLY C C 9 173.933 173.846 0.087 1
1 24 . 10 1 1 A 10 10 GLY N N 10 107.139 110.850 -3.711 1
1 25 . 10 1 1 A 10 10 GLY H H 10 8.393 8.242 0.151 1
1 26 . 10 1 1 A 10 10 GLY CA C 10 45.039 45.952 -0.913 1
1 27 . 10 1 1 A 10 10 GLY HA2 H 10 3.868 4.495 -0.627 1
1 28 . 10 1 1 A 10 10 GLY HA3 H 10 4.528 4.504 0.024 1
1 29 . 10 1 1 A 10 10 GLY C C 10 174.561 174.023 0.538 1
1 30 . 10 1 1 A 11 11 ALA N N 11 122.466 122.841 -0.375 1
1 31 . 10 1 1 A 11 11 ALA H H 11 8.875 8.798 0.077 1
1 32 . 10 1 1 A 11 11 ALA CA C 11 55.391 54.925 0.466 1
1 33 . 10 1 1 A 11 11 ALA HA H 11 3.803 3.845 -0.042 1
1 34 . 10 1 1 A 11 11 ALA CB C 11 19.583 18.929 0.654 1
1 38 . 10 1 1 A 11 11 ALA C C 11 178.242 179.816 -1.574 1
1 39 . 10 1 1 A 12 12 HIS N N 12 111.513 115.546 -4.033 1
1 40 . 10 1 1 A 12 12 HIS H H 12 8.290 8.672 -0.382 1
1 41 . 10 1 1 A 12 12 HIS CA C 12 57.847 59.180 -1.333 1
1 42 . 10 1 1 A 12 12 HIS HA H 12 4.443 4.369 0.074 1
1 43 . 10 1 1 A 12 12 HIS CB C 12 29.321 28.839 0.482 1
1 50 . 10 1 1 A 12 12 HIS C C 12 176.189 176.249 -0.060 1
1 51 . 10 1 1 A 13 13 LYS N N 13 118.111 117.481 0.630 1
1 52 . 10 1 1 A 13 13 LYS H H 13 7.558 6.962 0.596 1
1 53 . 10 1 1 A 13 13 LYS CA C 13 54.660 55.682 -1.022 1
1 54 . 10 1 1 A 13 13 LYS HA H 13 4.202 4.017 0.185 1
1 55 . 10 1 1 A 13 13 LYS CB C 13 32.655 31.524 1.131 1
1 67 . 10 1 1 A 13 13 LYS C C 13 176.721 174.804 1.917 1
1 68 . 10 1 1 A 14 14 VAL N N 14 123.625 119.389 4.236 1
1 69 . 10 1 1 A 14 14 VAL H H 14 7.499 7.229 0.270 1
1 70 . 10 1 1 A 14 14 VAL CA C 14 63.247 60.977 2.270 1
1 71 . 10 1 1 A 14 14 VAL HA H 14 3.907 4.583 -0.676 1
1 72 . 10 1 1 A 14 14 VAL CB C 14 31.649 34.548 -2.899 1
1 82 . 10 1 1 A 15 15 ARG H H 15 8.106 9.034 -0.928 1
1 83 . 10 1 1 A 15 15 ARG CA C 15 53.791 54.278 -0.487 1
1 84 . 10 1 1 A 15 15 ARG HA H 15 5.021 5.223 -0.202 1
1 85 . 10 1 1 A 15 15 ARG CB C 15 34.207 32.357 1.850 1
1 94 . 10 1 1 A 16 16 ALA N N 16 123.795 127.320 -3.525 1
1 95 . 10 1 1 A 16 16 ALA H H 16 8.875 8.782 0.093 1
1 96 . 10 1 1 A 16 16 ALA CA C 16 51.092 50.534 0.558 1
1 97 . 10 1 1 A 16 16 ALA HA H 16 5.569 5.330 0.239 1
1 98 . 10 1 1 A 16 16 ALA CB C 16 23.845 20.756 3.089 1
1 102 . 10 1 1 A 17 17 GLY N N 17 106.516 109.317 -2.801 1
1 103 . 10 1 1 A 17 17 GLY H H 17 8.616 7.879 0.737 1
1 104 . 10 1 1 A 17 17 GLY CA C 17 46.205 45.066 1.139 1
1 105 . 10 1 1 A 17 17 GLY HA2 H 17 4.289 4.272 0.017 1
1 106 . 10 1 1 A 17 17 GLY HA3 H 17 4.226 4.290 -0.064 1
1 107 . 10 1 1 A 18 18 GLY N N 18 111.804 106.328 5.476 1
1 108 . 10 1 1 A 18 18 GLY H H 18 8.816 8.333 0.483 1
1 109 . 10 1 1 A 18 18 GLY CA C 18 44.595 44.233 0.362 1
1 110 . 10 1 1 A 18 18 GLY HA2 H 18 4.105 4.085 0.020 1
1 111 . 10 1 1 A 18 18 GLY HA3 H 18 4.105 4.113 -0.008 1
1 112 . 10 1 1 A 19 19 PRO CA C 19 65.526 63.323 2.203 1
1 113 . 10 1 1 A 19 19 PRO HA H 19 4.335 4.149 0.186 1
1 114 . 10 1 1 A 19 19 PRO CB C 19 31.790 31.899 -0.109 1
1 123 . 10 1 1 A 19 19 PRO C C 19 179.208 177.377 1.831 1
1 124 . 10 1 1 A 20 20 GLY N N 20 103.234 110.378 -7.144 1
1 125 . 10 1 1 A 20 20 GLY H H 20 9.282 8.798 0.484 1
1 126 . 10 1 1 A 20 20 GLY CA C 20 46.361 45.816 0.545 1
1 127 . 10 1 1 A 20 20 GLY HA2 H 20 3.214 3.972 -0.758 1
1 128 . 10 1 1 A 20 20 GLY HA3 H 20 4.184 4.026 0.158 1
1 129 . 10 1 1 A 20 20 GLY C C 20 172.711 175.980 -3.269 1
1 130 . 10 1 1 A 21 21 LEU N N 21 116.307 121.150 -4.843 1
1 131 . 10 1 1 A 21 21 LEU H H 21 7.559 8.057 -0.498 1
1 132 . 10 1 1 A 21 21 LEU CA C 21 53.980 57.347 -3.367 1
1 133 . 10 1 1 A 21 21 LEU HA H 21 4.166 3.827 0.339 1
1 134 . 10 1 1 A 21 21 LEU CB C 21 40.135 41.382 -1.247 1
1 147 . 10 1 1 A 21 21 LEU C C 21 175.859 179.326 -3.467 1
1 148 . 10 1 1 A 22 22 GLU N N 22 119.926 116.858 3.068 1
1 149 . 10 1 1 A 22 22 GLU H H 22 7.927 8.641 -0.714 1
1 150 . 10 1 1 A 22 22 GLU CA C 22 57.490 59.137 -1.647 1
1 151 . 10 1 1 A 22 22 GLU HA H 22 4.511 4.197 0.314 1
1 152 . 10 1 1 A 22 22 GLU CB C 22 32.057 28.913 3.144 1
1 158 . 10 1 1 A 22 22 GLU C C 22 175.521 176.505 -0.984 1
1 159 . 10 1 1 A 23 23 ARG N N 23 116.789 119.410 -2.621 1
1 160 . 10 1 1 A 23 23 ARG H H 23 8.340 7.603 0.737 1
1 161 . 10 1 1 A 23 23 ARG CA C 23 56.464 55.655 0.809 1
1 162 . 10 1 1 A 23 23 ARG HA H 23 4.688 4.780 -0.092 1
1 163 . 10 1 1 A 23 23 ARG CB C 23 32.571 33.714 -1.143 1
1 174 . 10 1 1 A 23 23 ARG C C 23 173.992 174.438 -0.446 1
1 175 . 10 1 1 A 24 24 GLY N N 24 108.837 112.543 -3.706 1
1 176 . 10 1 1 A 24 24 GLY H H 24 8.736 8.940 -0.204 1
1 177 . 10 1 1 A 24 24 GLY CA C 24 43.943 44.507 -0.564 1
1 178 . 10 1 1 A 24 24 GLY HA2 H 24 3.510 4.286 -0.776 1
1 179 . 10 1 1 A 24 24 GLY HA3 H 24 4.679 4.333 0.346 1
1 180 . 10 1 1 A 24 24 GLY C C 24 171.930 173.011 -1.081 1
1 181 . 10 1 1 A 25 25 GLU N N 25 122.126 120.732 1.394 1
1 182 . 10 1 1 A 25 25 GLU H H 25 9.429 8.495 0.934 1
1 183 . 10 1 1 A 25 25 GLU CA C 25 54.209 54.623 -0.414 1
1 184 . 10 1 1 A 25 25 GLU HA H 25 5.049 5.217 -0.168 1
1 185 . 10 1 1 A 25 25 GLU CB C 25 32.945 33.811 -0.866 1
1 191 . 10 1 1 A 25 25 GLU C C 25 175.853 175.676 0.177 1
1 192 . 10 1 1 A 26 26 ALA N N 26 128.654 125.755 2.899 1
1 193 . 10 1 1 A 26 26 ALA H H 26 8.518 8.727 -0.209 1
1 194 . 10 1 1 A 26 26 ALA CA C 26 53.187 53.849 -0.662 1
1 195 . 10 1 1 A 26 26 ALA HA H 26 3.855 4.246 -0.391 1
1 196 . 10 1 1 A 26 26 ALA CB C 26 17.420 18.594 -1.174 1
1 200 . 10 1 1 A 26 26 ALA C C 26 177.837 178.694 -0.857 1
1 201 . 10 1 1 A 27 27 GLY N N 27 108.210 110.554 -2.344 1
1 202 . 10 1 1 A 27 27 GLY H H 27 8.583 8.799 -0.216 1
1 203 . 10 1 1 A 27 27 GLY CA C 27 45.619 45.797 -0.178 1
1 204 . 10 1 1 A 27 27 GLY HA2 H 27 3.364 3.810 -0.446 1
1 205 . 10 1 1 A 27 27 GLY HA3 H 27 4.158 3.823 0.335 1
1 206 . 10 1 1 A 27 27 GLY C C 27 173.084 173.730 -0.646 1
1 207 . 10 1 1 A 28 28 VAL N N 28 122.974 121.235 1.739 1
1 208 . 10 1 1 A 28 28 VAL H H 28 7.878 7.289 0.589 1
1 209 . 10 1 1 A 28 28 VAL CA C 28 59.182 58.743 0.439 1
1 210 . 10 1 1 A 28 28 VAL HA H 28 4.510 4.414 0.096 1
1 211 . 10 1 1 A 28 28 VAL CB C 28 34.549 34.828 -0.279 1
1 221 . 10 1 1 A 28 28 VAL C C 28 174.171 174.163 0.008 1
1 222 . 10 1 1 A 29 29 PRO CA C 29 64.354 62.310 2.044 1
1 223 . 10 1 1 A 29 29 PRO HA H 29 4.064 4.617 -0.553 1
1 224 . 10 1 1 A 29 29 PRO CB C 29 31.464 31.641 -0.177 1
1 233 . 10 1 1 A 29 29 PRO C C 29 174.718 175.800 -1.082 1
1 234 . 10 1 1 A 30 30 ALA N N 30 131.821 126.992 4.829 1
1 235 . 10 1 1 A 30 30 ALA H H 30 8.990 8.148 0.842 1
1 236 . 10 1 1 A 30 30 ALA CA C 30 50.482 50.734 -0.252 1
1 237 . 10 1 1 A 30 30 ALA HA H 30 4.558 4.861 -0.303 1
1 238 . 10 1 1 A 30 30 ALA CB C 30 18.793 20.900 -2.107 1
1 242 . 10 1 1 A 30 30 ALA C C 30 176.319 176.092 0.227 1
1 243 . 10 1 1 A 31 31 GLU N N 31 119.523 121.508 -1.985 1
1 244 . 10 1 1 A 31 31 GLU H H 31 8.273 8.875 -0.602 1
1 245 . 10 1 1 A 31 31 GLU CA C 31 55.261 54.946 0.315 1
1 246 . 10 1 1 A 31 31 GLU HA H 31 5.290 5.586 -0.296 1
1 247 . 10 1 1 A 31 31 GLU CB C 31 33.484 33.270 0.214 1
1 253 . 10 1 1 A 31 31 GLU C C 31 176.617 175.537 1.080 1
1 254 . 10 1 1 A 32 32 PHE N N 32 115.139 117.624 -2.485 1
1 255 . 10 1 1 A 32 32 PHE H H 32 8.905 8.224 0.681 1
1 256 . 10 1 1 A 32 32 PHE CA C 32 57.490 55.540 1.950 1
1 257 . 10 1 1 A 32 32 PHE HA H 32 5.031 5.406 -0.375 1
1 258 . 10 1 1 A 32 32 PHE CB C 32 39.989 42.391 -2.402 1
1 271 . 10 1 1 A 32 32 PHE C C 32 172.714 172.858 -0.144 1
1 272 . 10 1 1 A 33 33 SER CA C 33 57.324 55.676 1.648 1
1 273 . 10 1 1 A 33 33 SER HA H 33 5.404 5.142 0.262 1
1 274 . 10 1 1 A 33 33 SER CB C 33 66.623 64.924 1.699 1
1 277 . 10 1 1 A 34 34 ILE N N 34 127.688 124.251 3.437 1
1 278 . 10 1 1 A 34 34 ILE H H 34 9.577 8.974 0.603 1
1 279 . 10 1 1 A 34 34 ILE CA C 34 60.614 60.157 0.457 1
1 280 . 10 1 1 A 34 34 ILE HA H 34 4.668 4.558 0.110 1
1 281 . 10 1 1 A 34 34 ILE CB C 34 41.681 39.688 1.993 1
1 294 . 10 1 1 A 35 35 TRP CA C 35 58.440 55.677 2.763 1
1 295 . 10 1 1 A 35 35 TRP HA H 35 5.262 5.296 -0.034 1
1 296 . 10 1 1 A 35 35 TRP CB C 35 30.511 30.232 0.279 1
1 311 . 10 1 1 A 36 36 THR N N 36 114.021 114.074 -0.053 1
1 312 . 10 1 1 A 36 36 THR H H 36 8.680 8.961 -0.281 1
1 313 . 10 1 1 A 36 36 THR CA C 36 61.459 60.477 0.982 1
1 314 . 10 1 1 A 36 36 THR HA H 36 4.364 5.065 -0.701 1
1 315 . 10 1 1 A 36 36 THR CB C 36 69.197 69.934 -0.737 1
1 321 . 10 1 1 A 37 37 ARG CA C 37 56.501 57.167 -0.666 1
1 322 . 10 1 1 A 37 37 ARG HA H 37 4.207 4.562 -0.355 1
1 323 . 10 1 1 A 37 37 ARG CB C 37 30.884 32.383 -1.499 1
1 332 . 10 1 1 A 37 37 ARG C C 37 173.005 178.526 -5.521 1
1 333 . 10 1 1 A 38 38 GLU H H 38 8.371 8.557 -0.186 1
1 334 . 10 1 1 A 38 38 GLU CA C 38 56.895 58.772 -1.877 1
1 335 . 10 1 1 A 38 38 GLU HA H 38 4.270 4.092 0.178 1
1 336 . 10 1 1 A 38 38 GLU CB C 38 30.001 29.398 0.603 1
1 342 . 10 1 1 A 39 39 ALA N N 39 121.133 120.561 0.572 1
1 343 . 10 1 1 A 39 39 ALA H H 39 7.665 7.650 0.015 1
1 344 . 10 1 1 A 39 39 ALA CA C 39 52.963 50.920 2.043 1
1 345 . 10 1 1 A 39 39 ALA HA H 39 3.964 4.487 -0.523 1
1 346 . 10 1 1 A 39 39 ALA CB C 39 21.097 18.986 2.111 1
1 350 . 10 1 1 A 39 39 ALA C C 39 177.871 177.479 0.392 1
1 351 . 10 1 1 A 40 40 GLY N N 40 105.600 112.437 -6.837 1
1 352 . 10 1 1 A 40 40 GLY H H 40 7.654 8.740 -1.086 1
1 353 . 10 1 1 A 40 40 GLY CA C 40 44.261 47.420 -3.159 1
1 354 . 10 1 1 A 40 40 GLY HA2 H 40 3.766 3.847 -0.081 1
1 355 . 10 1 1 A 40 40 GLY HA3 H 40 4.196 3.875 0.321 1
1 356 . 10 1 1 A 40 40 GLY C C 40 172.824 173.350 -0.526 1
1 357 . 10 1 1 A 41 41 ALA N N 41 122.720 124.683 -1.963 1
1 358 . 10 1 1 A 41 41 ALA H H 41 8.364 8.247 0.117 1
1 359 . 10 1 1 A 41 41 ALA CA C 41 52.502 51.762 0.740 1
1 360 . 10 1 1 A 41 41 ALA HA H 41 4.396 4.989 -0.593 1
1 361 . 10 1 1 A 41 41 ALA CB C 41 19.295 21.821 -2.526 1
1 365 . 10 1 1 A 41 41 ALA C C 41 178.393 175.877 2.516 1
1 366 . 10 1 1 A 42 42 GLY N N 42 109.713 106.224 3.489 1
1 367 . 10 1 1 A 42 42 GLY H H 42 8.194 8.447 -0.253 1
1 368 . 10 1 1 A 42 42 GLY CA C 42 45.853 45.967 -0.114 1
1 369 . 10 1 1 A 42 42 GLY HA2 H 42 3.616 4.066 -0.450 1
1 370 . 10 1 1 A 42 42 GLY HA3 H 42 3.761 4.245 -0.484 1
1 371 . 10 1 1 A 42 42 GLY C C 42 172.178 172.387 -0.209 1
1 372 . 10 1 1 A 43 43 GLY N N 43 105.505 109.881 -4.376 1
1 373 . 10 1 1 A 43 43 GLY H H 43 7.422 8.384 -0.962 1
1 374 . 10 1 1 A 43 43 GLY CA C 43 44.382 44.518 -0.136 1
1 375 . 10 1 1 A 43 43 GLY HA2 H 43 3.420 3.944 -0.524 1
1 376 . 10 1 1 A 43 43 GLY HA3 H 43 4.295 3.992 0.303 1
1 377 . 10 1 1 A 43 43 GLY C C 43 172.885 172.701 0.184 1
1 378 . 10 1 1 A 44 44 LEU N N 44 125.007 121.852 3.155 1
1 379 . 10 1 1 A 44 44 LEU H H 44 8.525 8.620 -0.095 1
1 380 . 10 1 1 A 44 44 LEU CA C 44 53.589 54.291 -0.702 1
1 381 . 10 1 1 A 44 44 LEU HA H 44 5.357 4.952 0.405 1
1 382 . 10 1 1 A 44 44 LEU CB C 44 45.602 44.923 0.679 1
1 395 . 10 1 1 A 44 44 LEU C C 44 177.034 174.581 2.453 1
1 396 . 10 1 1 A 45 45 SER N N 45 117.626 120.771 -3.145 1
1 397 . 10 1 1 A 45 45 SER H H 45 9.010 8.975 0.035 1
1 398 . 10 1 1 A 45 45 SER CA C 45 57.065 56.891 0.174 1
1 399 . 10 1 1 A 45 45 SER HA H 45 4.660 5.150 -0.490 1
1 400 . 10 1 1 A 45 45 SER CB C 45 65.309 64.415 0.894 1
1 403 . 10 1 1 A 45 45 SER C C 45 172.724 173.662 -0.938 1
1 404 . 10 1 1 A 46 46 ILE N N 46 125.604 126.947 -1.343 1
1 405 . 10 1 1 A 46 46 ILE H H 46 8.584 8.855 -0.271 1
1 406 . 10 1 1 A 46 46 ILE CA C 46 59.369 60.119 -0.750 1
1 407 . 10 1 1 A 46 46 ILE HA H 46 5.182 5.274 -0.092 1
1 408 . 10 1 1 A 46 46 ILE CB C 46 40.879 41.464 -0.585 1
1 421 . 10 1 1 A 46 46 ILE C C 46 174.318 174.321 -0.003 1
1 422 . 10 1 1 A 47 47 ALA N N 47 128.948 128.953 -0.005 1
1 423 . 10 1 1 A 47 47 ALA H H 47 8.762 9.005 -0.243 1
1 424 . 10 1 1 A 47 47 ALA CA C 47 51.123 50.730 0.393 1
1 425 . 10 1 1 A 47 47 ALA HA H 47 4.724 5.137 -0.413 1
1 426 . 10 1 1 A 47 47 ALA CB C 47 22.575 20.866 1.709 1
1 430 . 10 1 1 A 47 47 ALA C C 47 175.131 175.496 -0.365 1
1 431 . 10 1 1 A 48 48 VAL N N 48 121.512 123.784 -2.272 1
1 432 . 10 1 1 A 48 48 VAL H H 48 8.640 8.998 -0.358 1
1 433 . 10 1 1 A 48 48 VAL CA C 48 61.770 62.029 -0.259 1
1 434 . 10 1 1 A 48 48 VAL HA H 48 4.749 4.575 0.174 1
1 435 . 10 1 1 A 48 48 VAL CB C 48 33.642 31.835 1.807 1
1 445 . 10 1 1 A 48 48 VAL C C 48 174.870 175.733 -0.863 1
1 446 . 10 1 1 A 49 49 GLU N N 49 126.757 126.025 0.732 1
1 447 . 10 1 1 A 49 49 GLU H H 49 8.898 8.585 0.313 1
1 448 . 10 1 1 A 49 49 GLU CA C 49 54.457 54.831 -0.374 1
1 449 . 10 1 1 A 49 49 GLU HA H 49 5.003 5.319 -0.316 1
1 450 . 10 1 1 A 49 49 GLU CB C 49 33.209 33.278 -0.069 1
1 456 . 10 1 1 A 49 49 GLU C C 49 175.282 176.344 -1.062 1
1 457 . 10 1 1 A 50 50 GLY N N 50 112.668 109.130 3.538 1
1 458 . 10 1 1 A 50 50 GLY H H 50 8.563 8.261 0.302 1
1 459 . 10 1 1 A 50 50 GLY CA C 50 45.534 45.182 0.352 1
1 460 . 10 1 1 A 50 50 GLY HA2 H 50 3.481 3.588 -0.107 1
1 461 . 10 1 1 A 50 50 GLY HA3 H 50 3.836 4.011 -0.175 1
1 462 . 10 1 1 A 50 50 GLY C C 50 171.670 174.084 -2.414 1
1 463 . 10 1 1 A 51 51 PRO CA C 51 64.371 63.963 0.408 1
1 464 . 10 1 1 A 51 51 PRO HA H 51 4.309 4.397 -0.088 1
1 465 . 10 1 1 A 51 51 PRO CB C 51 32.183 31.924 0.259 1
1 474 . 10 1 1 A 51 51 PRO C C 51 175.938 175.892 0.046 1
1 475 . 10 1 1 A 52 52 SER N N 52 109.776 111.832 -2.056 1
1 476 . 10 1 1 A 52 52 SER H H 52 7.281 7.386 -0.105 1
1 477 . 10 1 1 A 52 52 SER CA C 52 56.747 56.090 0.657 1
1 478 . 10 1 1 A 52 52 SER HA H 52 4.688 4.729 -0.041 1
1 479 . 10 1 1 A 52 52 SER CB C 52 65.901 65.815 0.086 1
1 482 . 10 1 1 A 52 52 SER C C 52 172.748 172.469 0.279 1
1 483 . 10 1 1 A 53 53 LYS N N 53 121.441 123.463 -2.022 1
1 484 . 10 1 1 A 53 53 LYS H H 53 8.607 8.379 0.228 1
1 485 . 10 1 1 A 53 53 LYS CA C 53 56.641 56.620 0.021 1
1 486 . 10 1 1 A 53 53 LYS HA H 53 4.391 4.520 -0.129 1
1 487 . 10 1 1 A 53 53 LYS CB C 53 32.323 33.250 -0.927 1
1 499 . 10 1 1 A 53 53 LYS C C 53 175.721 175.902 -0.181 1
1 500 . 10 1 1 A 54 54 ALA N N 54 129.914 128.504 1.410 1
1 501 . 10 1 1 A 54 54 ALA H H 54 8.941 8.885 0.056 1
1 502 . 10 1 1 A 54 54 ALA CA C 54 50.924 50.213 0.711 1
1 503 . 10 1 1 A 54 54 ALA HA H 54 4.962 5.311 -0.349 1
1 504 . 10 1 1 A 54 54 ALA CB C 54 20.004 22.779 -2.775 1
1 508 . 10 1 1 A 54 54 ALA C C 54 176.618 175.240 1.378 1
1 509 . 10 1 1 A 55 55 GLU N N 55 122.179 121.382 0.797 1
1 510 . 10 1 1 A 55 55 GLU H H 55 8.153 8.602 -0.449 1
1 511 . 10 1 1 A 55 55 GLU CA C 55 55.689 55.875 -0.186 1
1 512 . 10 1 1 A 55 55 GLU HA H 55 4.569 4.906 -0.337 1
1 513 . 10 1 1 A 55 55 GLU CB C 55 31.003 31.254 -0.251 1
1 519 . 10 1 1 A 55 55 GLU C C 55 176.867 175.186 1.681 1
1 520 . 10 1 1 A 56 56 ILE N N 56 127.733 126.105 1.628 1
1 521 . 10 1 1 A 56 56 ILE H H 56 8.948 8.637 0.311 1
1 522 . 10 1 1 A 56 56 ILE CA C 56 61.345 60.517 0.828 1
1 523 . 10 1 1 A 56 56 ILE HA H 56 4.744 4.933 -0.189 1
1 524 . 10 1 1 A 56 56 ILE CB C 56 40.978 40.912 0.066 1
1 537 . 10 1 1 A 56 56 ILE C C 56 175.675 174.779 0.896 1
1 538 . 10 1 1 A 57 57 THR N N 57 124.172 123.457 0.715 1
1 539 . 10 1 1 A 57 57 THR H H 57 9.410 8.859 0.551 1
1 540 . 10 1 1 A 57 57 THR CA C 57 61.999 61.857 0.142 1
1 541 . 10 1 1 A 57 57 THR HA H 57 4.504 4.880 -0.376 1
1 542 . 10 1 1 A 57 57 THR CB C 57 70.660 69.046 1.614 1
1 548 . 10 1 1 A 57 57 THR C C 57 172.131 173.185 -1.054 1
1 549 . 10 1 1 A 58 58 PHE N N 58 126.429 127.674 -1.245 1
1 550 . 10 1 1 A 58 58 PHE H H 58 8.796 8.845 -0.049 1
1 551 . 10 1 1 A 58 58 PHE CA C 58 56.680 56.904 -0.224 1
1 552 . 10 1 1 A 58 58 PHE HA H 58 4.981 5.286 -0.305 1
1 553 . 10 1 1 A 58 58 PHE CB C 58 42.400 42.430 -0.030 1
1 566 . 10 1 1 A 58 58 PHE C C 58 173.719 172.635 1.084 1
1 567 . 10 1 1 A 59 59 ASP N N 59 126.210 129.088 -2.878 1
1 568 . 10 1 1 A 59 59 ASP H H 59 8.707 8.995 -0.288 1
1 569 . 10 1 1 A 59 59 ASP CA C 59 52.784 52.826 -0.042 1
1 570 . 10 1 1 A 59 59 ASP HA H 59 4.677 5.387 -0.710 1
1 571 . 10 1 1 A 59 59 ASP CB C 59 42.738 43.169 -0.431 1
1 574 . 10 1 1 A 59 59 ASP C C 59 173.710 173.690 0.020 1
1 575 . 10 1 1 A 60 60 ASP N N 60 123.675 127.057 -3.382 1
1 576 . 10 1 1 A 60 60 ASP H H 60 8.490 9.040 -0.550 1
1 577 . 10 1 1 A 60 60 ASP CA C 60 53.871 52.908 0.963 1
1 578 . 10 1 1 A 60 60 ASP HA H 60 4.447 5.016 -0.569 1
1 579 . 10 1 1 A 60 60 ASP CB C 60 41.108 42.294 -1.186 1
1 582 . 10 1 1 A 60 60 ASP C C 60 176.691 175.795 0.896 1
1 583 . 10 1 1 A 61 61 HIS N N 61 124.385 126.650 -2.265 1
1 584 . 10 1 1 A 61 61 HIS H H 61 8.122 9.076 -0.954 1
1 585 . 10 1 1 A 61 61 HIS CA C 61 55.608 58.100 -2.492 1
1 586 . 10 1 1 A 61 61 HIS HA H 61 4.769 4.667 0.102 1
1 587 . 10 1 1 A 61 61 HIS CB C 61 28.607 31.573 -2.966 1
1 594 . 10 1 1 A 61 61 HIS C C 61 175.701 176.476 -0.775 1
1 595 . 10 1 1 A 62 62 LYS N N 62 115.195 117.697 -2.502 1
1 596 . 10 1 1 A 62 62 LYS H H 62 9.178 8.050 1.128 1
1 597 . 10 1 1 A 62 62 LYS CA C 62 57.585 57.185 0.400 1
1 598 . 10 1 1 A 62 62 LYS HA H 62 4.028 4.381 -0.353 1
1 599 . 10 1 1 A 62 62 LYS CB C 62 29.373 34.837 -5.464 1
1 611 . 10 1 1 A 63 63 ASN N N 63 116.167 114.352 1.815 1
1 612 . 10 1 1 A 63 63 ASN H H 63 7.900 8.449 -0.549 1
1 613 . 10 1 1 A 63 63 ASN CA C 63 52.056 53.182 -1.126 1
1 614 . 10 1 1 A 63 63 ASN HA H 63 4.835 4.910 -0.075 1
1 615 . 10 1 1 A 63 63 ASN CB C 63 38.468 39.693 -1.225 1
1 621 . 10 1 1 A 63 63 ASN C C 63 176.634 175.782 0.852 1
1 622 . 10 1 1 A 64 64 GLY N N 64 108.877 106.363 2.514 1
1 623 . 10 1 1 A 64 64 GLY H H 64 8.718 7.481 1.237 1
1 624 . 10 1 1 A 64 64 GLY CA C 64 45.534 44.340 1.194 1
1 625 . 10 1 1 A 64 64 GLY HA2 H 64 3.619 4.183 -0.564 1
1 626 . 10 1 1 A 64 64 GLY HA3 H 64 4.247 4.186 0.061 1
1 627 . 10 1 1 A 65 65 SER N N 65 115.229 115.687 -0.458 1
1 628 . 10 1 1 A 65 65 SER H H 65 7.962 8.254 -0.292 1
1 629 . 10 1 1 A 65 65 SER CA C 65 57.108 58.404 -1.296 1
1 630 . 10 1 1 A 65 65 SER HA H 65 5.531 4.230 1.301 1
1 631 . 10 1 1 A 65 65 SER CB C 65 67.290 63.626 3.664 1
1 634 . 10 1 1 A 66 66 CYS N N 66 118.007 126.204 -8.197 1
1 635 . 10 1 1 A 66 66 CYS H H 66 8.807 8.548 0.259 1
1 636 . 10 1 1 A 66 66 CYS CA C 66 56.476 62.191 -5.715 1
1 637 . 10 1 1 A 66 66 CYS HA H 66 4.672 4.066 0.606 1
1 638 . 10 1 1 A 66 66 CYS CB C 66 31.077 27.834 3.243 1
1 641 . 10 1 1 A 67 67 GLY N N 67 112.448 104.427 8.021 1
1 642 . 10 1 1 A 67 67 GLY H H 67 8.679 7.412 1.267 1
1 643 . 10 1 1 A 67 67 GLY CA C 67 45.004 44.626 0.378 1
1 644 . 10 1 1 A 67 67 GLY HA2 H 67 3.629 3.769 -0.140 1
1 645 . 10 1 1 A 67 67 GLY HA3 H 67 4.645 3.821 0.824 1
1 646 . 10 1 1 A 67 67 GLY C C 67 171.754 171.289 0.465 1
1 647 . 10 1 1 A 68 68 VAL N N 68 123.840 122.568 1.272 1
1 648 . 10 1 1 A 68 68 VAL H H 68 8.486 7.910 0.576 1
1 649 . 10 1 1 A 68 68 VAL CA C 68 60.143 62.254 -2.111 1
1 650 . 10 1 1 A 68 68 VAL HA H 68 4.579 4.250 0.329 1
1 651 . 10 1 1 A 68 68 VAL CB C 68 33.946 32.452 1.494 1
1 661 . 10 1 1 A 68 68 VAL C C 68 174.396 175.259 -0.863 1
1 662 . 10 1 1 A 69 69 SER N N 69 119.414 120.781 -1.367 1
1 663 . 10 1 1 A 69 69 SER H H 69 8.450 8.861 -0.411 1
1 664 . 10 1 1 A 69 69 SER CA C 69 56.169 55.974 0.195 1
1 665 . 10 1 1 A 69 69 SER HA H 69 5.442 5.723 -0.281 1
1 666 . 10 1 1 A 69 69 SER CB C 69 65.640 65.783 -0.143 1
1 669 . 10 1 1 A 69 69 SER C C 69 173.189 173.608 -0.419 1
1 670 . 10 1 1 A 70 70 TYR N N 70 119.504 118.529 0.975 1
1 671 . 10 1 1 A 70 70 TYR H H 70 8.771 8.603 0.168 1
1 672 . 10 1 1 A 70 70 TYR CA C 70 54.962 55.744 -0.782 1
1 673 . 10 1 1 A 70 70 TYR HA H 70 5.922 6.019 -0.097 1
1 674 . 10 1 1 A 70 70 TYR CB C 70 42.710 42.635 0.075 1
1 685 . 10 1 1 A 70 70 TYR C C 70 173.056 173.871 -0.815 1
1 686 . 10 1 1 A 71 71 ILE N N 71 117.727 120.847 -3.120 1
1 687 . 10 1 1 A 71 71 ILE H H 71 8.196 8.550 -0.354 1
1 688 . 10 1 1 A 71 71 ILE CA C 71 60.132 60.210 -0.078 1
1 689 . 10 1 1 A 71 71 ILE HA H 71 4.161 4.485 -0.324 1
1 690 . 10 1 1 A 71 71 ILE CB C 71 40.790 41.366 -0.576 1
1 703 . 10 1 1 A 71 71 ILE C C 71 175.114 174.919 0.195 1
1 704 . 10 1 1 A 72 72 ALA N N 72 133.145 128.950 4.195 1
1 705 . 10 1 1 A 72 72 ALA H H 72 9.466 8.349 1.117 1
1 706 . 10 1 1 A 72 72 ALA CA C 72 50.261 50.554 -0.293 1
1 707 . 10 1 1 A 72 72 ALA HA H 72 4.567 4.402 0.165 1
1 708 . 10 1 1 A 72 72 ALA CB C 72 19.699 18.489 1.210 1
1 712 . 10 1 1 A 72 72 ALA C C 72 177.170 177.743 -0.573 1
1 713 . 10 1 1 A 73 73 GLN N N 73 120.464 124.937 -4.473 1
1 714 . 10 1 1 A 73 73 GLN H H 73 8.649 8.562 0.087 1
1 715 . 10 1 1 A 73 73 GLN CA C 73 57.614 59.345 -1.731 1
1 716 . 10 1 1 A 73 73 GLN HA H 73 4.083 4.006 0.077 1
1 717 . 10 1 1 A 73 73 GLN CB C 73 29.667 28.678 0.989 1
1 726 . 10 1 1 A 73 73 GLN C C 73 175.643 176.615 -0.972 1
1 727 . 10 1 1 A 74 74 GLU N N 74 114.557 117.842 -3.285 1
1 728 . 10 1 1 A 74 74 GLU H H 74 7.102 8.193 -1.091 1
1 729 . 10 1 1 A 74 74 GLU CA C 74 52.242 53.153 -0.911 1
1 730 . 10 1 1 A 74 74 GLU HA H 74 4.988 4.720 0.268 1
1 731 . 10 1 1 A 74 74 GLU CB C 74 31.732 30.384 1.348 1
1 737 . 10 1 1 A 74 74 GLU C C 74 174.462 174.147 0.315 1
1 738 . 10 1 1 A 75 75 PRO CA C 75 63.007 63.134 -0.127 1
1 739 . 10 1 1 A 75 75 PRO HA H 75 4.335 4.765 -0.430 1
1 740 . 10 1 1 A 75 75 PRO CB C 75 32.866 32.000 0.866 1
1 749 . 10 1 1 A 75 75 PRO C C 75 174.572 175.903 -1.331 1
1 750 . 10 1 1 A 76 76 GLY N N 76 107.234 108.004 -0.770 1
1 751 . 10 1 1 A 76 76 GLY H H 76 9.012 8.383 0.629 1
1 752 . 10 1 1 A 76 76 GLY CA C 76 44.615 45.321 -0.706 1
1 753 . 10 1 1 A 76 76 GLY HA2 H 76 3.850 4.159 -0.309 1
1 754 . 10 1 1 A 76 76 GLY HA3 H 76 4.201 4.204 -0.003 1
1 755 . 10 1 1 A 76 76 GLY C C 76 171.133 172.625 -1.492 1
1 756 . 10 1 1 A 77 77 ASN N N 77 119.292 117.084 2.208 1
1 757 . 10 1 1 A 77 77 ASN H H 77 8.549 8.737 -0.188 1
1 758 . 10 1 1 A 77 77 ASN CA C 77 52.364 52.049 0.315 1
1 759 . 10 1 1 A 77 77 ASN HA H 77 5.369 5.252 0.117 1
1 760 . 10 1 1 A 77 77 ASN CB C 77 39.176 38.640 0.536 1
1 766 . 10 1 1 A 77 77 ASN C C 77 174.470 173.860 0.610 1
1 767 . 10 1 1 A 78 78 TYR N N 78 123.809 124.953 -1.144 1
1 768 . 10 1 1 A 78 78 TYR H H 78 9.094 8.916 0.178 1
1 769 . 10 1 1 A 78 78 TYR CA C 78 56.818 57.921 -1.103 1
1 770 . 10 1 1 A 78 78 TYR HA H 78 4.859 5.161 -0.302 1
1 771 . 10 1 1 A 78 78 TYR CB C 78 39.860 39.728 0.132 1
1 782 . 10 1 1 A 78 78 TYR C C 78 174.184 174.944 -0.760 1
1 783 . 10 1 1 A 79 79 GLU N N 79 122.250 125.831 -3.581 1
1 784 . 10 1 1 A 79 79 GLU H H 79 9.259 8.998 0.261 1
1 785 . 10 1 1 A 79 79 GLU CA C 79 54.692 55.473 -0.781 1
1 786 . 10 1 1 A 79 79 GLU HA H 79 5.313 4.981 0.332 1
1 787 . 10 1 1 A 79 79 GLU CB C 79 32.159 30.520 1.639 1
1 793 . 10 1 1 A 79 79 GLU C C 79 176.631 175.059 1.572 1
1 794 . 10 1 1 A 80 80 VAL N N 80 131.418 127.655 3.763 1
1 795 . 10 1 1 A 80 80 VAL H H 80 9.761 8.339 1.422 1
1 796 . 10 1 1 A 80 80 VAL CA C 80 61.522 62.459 -0.937 1
1 797 . 10 1 1 A 80 80 VAL HA H 80 4.801 4.452 0.349 1
1 798 . 10 1 1 A 80 80 VAL CB C 80 32.818 31.581 1.237 1
1 808 . 10 1 1 A 80 80 VAL C C 80 175.573 175.608 -0.035 1
1 809 . 10 1 1 A 81 81 SER N N 81 123.238 123.926 -0.688 1
1 810 . 10 1 1 A 81 81 SER H H 81 9.457 9.008 0.449 1
1 811 . 10 1 1 A 81 81 SER CA C 81 57.589 58.283 -0.694 1
1 812 . 10 1 1 A 81 81 SER HA H 81 5.167 4.984 0.183 1
1 813 . 10 1 1 A 81 81 SER CB C 81 64.882 64.220 0.662 1
1 816 . 10 1 1 A 81 81 SER C C 81 173.514 174.192 -0.678 1
1 817 . 10 1 1 A 82 82 ILE N N 82 126.261 127.313 -1.052 1
1 818 . 10 1 1 A 82 82 ILE H H 82 9.642 9.020 0.622 1
1 819 . 10 1 1 A 82 82 ILE CA C 82 60.992 59.814 1.178 1
1 820 . 10 1 1 A 82 82 ILE HA H 82 4.667 5.303 -0.636 1
1 821 . 10 1 1 A 82 82 ILE CB C 82 40.692 41.059 -0.367 1
1 834 . 10 1 1 A 82 82 ILE C C 82 173.498 175.266 -1.768 1
1 835 . 10 1 1 A 83 83 LYS N N 83 123.477 126.308 -2.831 1
1 836 . 10 1 1 A 83 83 LYS H H 83 8.720 9.074 -0.354 1
1 837 . 10 1 1 A 83 83 LYS CA C 83 53.730 55.062 -1.332 1
1 838 . 10 1 1 A 83 83 LYS HA H 83 5.139 5.310 -0.171 1
1 839 . 10 1 1 A 83 83 LYS CB C 83 36.351 35.206 1.145 1
1 851 . 10 1 1 A 83 83 LYS C C 83 174.914 174.393 0.521 1
1 852 . 10 1 1 A 84 84 PHE N N 84 122.298 126.104 -3.806 1
1 853 . 10 1 1 A 84 84 PHE H H 84 9.154 9.166 -0.012 1
1 854 . 10 1 1 A 84 84 PHE CA C 84 56.057 57.510 -1.453 1
1 855 . 10 1 1 A 84 84 PHE HA H 84 5.238 4.807 0.431 1
1 856 . 10 1 1 A 84 84 PHE CB C 84 43.136 41.224 1.912 1
1 867 . 10 1 1 A 84 84 PHE C C 84 175.864 175.016 0.848 1
1 868 . 10 1 1 A 85 85 ASN N N 85 127.936 125.272 2.664 1
1 869 . 10 1 1 A 85 85 ASN H H 85 9.040 9.247 -0.207 1
1 870 . 10 1 1 A 85 85 ASN CA C 85 54.448 54.490 -0.042 1
1 871 . 10 1 1 A 85 85 ASN HA H 85 4.206 4.207 -0.001 1
1 872 . 10 1 1 A 85 85 ASN CB C 85 36.554 36.841 -0.287 1
1 878 . 10 1 1 A 85 85 ASN C C 85 174.620 174.173 0.447 1
1 879 . 10 1 1 A 86 86 ASP N N 86 108.763 110.042 -1.279 1
1 880 . 10 1 1 A 86 86 ASP H H 86 8.828 8.438 0.390 1
1 881 . 10 1 1 A 86 86 ASP CA C 86 56.405 55.568 0.837 1
1 882 . 10 1 1 A 86 86 ASP HA H 86 3.946 4.184 -0.238 1
1 883 . 10 1 1 A 86 86 ASP CB C 86 40.367 39.145 1.222 1
1 886 . 10 1 1 A 86 86 ASP C C 86 174.169 174.587 -0.418 1
1 887 . 10 1 1 A 87 87 GLU N N 87 119.289 117.154 2.135 1
1 888 . 10 1 1 A 87 87 GLU H H 87 7.510 7.599 -0.089 1
1 889 . 10 1 1 A 87 87 GLU CA C 87 54.483 54.892 -0.409 1
1 890 . 10 1 1 A 87 87 GLU HA H 87 4.743 4.891 -0.148 1
1 891 . 10 1 1 A 87 87 GLU CB C 87 32.763 33.799 -1.036 1
1 897 . 10 1 1 A 87 87 GLU C C 87 175.825 175.394 0.431 1
1 898 . 10 1 1 A 88 88 HIS N N 88 123.465 120.614 2.851 1
1 899 . 10 1 1 A 88 88 HIS H H 88 8.822 9.131 -0.309 1
1 900 . 10 1 1 A 88 88 HIS CA C 88 59.117 55.408 3.709 1
1 901 . 10 1 1 A 88 88 HIS HA H 88 4.511 5.060 -0.549 1
1 902 . 10 1 1 A 88 88 HIS CB C 88 32.254 29.829 2.425 1
1 909 . 10 1 1 A 88 88 HIS C C 88 177.352 175.554 1.798 1
1 910 . 10 1 1 A 89 89 ILE N N 89 117.945 123.118 -5.173 1
1 911 . 10 1 1 A 89 89 ILE H H 89 8.131 8.451 -0.320 1
1 912 . 10 1 1 A 89 89 ILE CA C 89 61.121 60.121 1.000 1
1 913 . 10 1 1 A 89 89 ILE HA H 89 4.519 4.349 0.170 1
1 914 . 10 1 1 A 89 89 ILE CB C 89 35.538 37.729 -2.191 1
1 927 . 10 1 1 A 89 89 ILE C C 89 173.831 176.717 -2.886 1
1 928 . 10 1 1 A 90 90 PRO CA C 90 66.545 64.296 2.249 1
1 929 . 10 1 1 A 90 90 PRO HA H 90 4.223 4.541 -0.318 1
1 930 . 10 1 1 A 90 90 PRO CB C 90 31.693 31.572 0.121 1
1 939 . 10 1 1 A 90 90 PRO C C 90 177.046 176.418 0.628 1
1 940 . 10 1 1 A 91 91 GLU N N 91 113.835 116.957 -3.122 1
1 941 . 10 1 1 A 91 91 GLU H H 91 8.223 8.275 -0.052 1
1 942 . 10 1 1 A 91 91 GLU CA C 91 57.913 56.169 1.744 1
1 943 . 10 1 1 A 91 91 GLU HA H 91 3.733 4.388 -0.655 1
1 944 . 10 1 1 A 91 91 GLU CB C 91 27.681 31.358 -3.677 1
1 950 . 10 1 1 A 91 91 GLU C C 91 173.469 175.495 -2.026 1
1 951 . 10 1 1 A 92 92 SER N N 92 111.462 113.732 -2.270 1
1 952 . 10 1 1 A 92 92 SER H H 92 7.489 7.542 -0.053 1
1 953 . 10 1 1 A 92 92 SER CA C 92 54.873 55.217 -0.344 1
1 954 . 10 1 1 A 92 92 SER HA H 92 4.427 4.484 -0.057 1
1 955 . 10 1 1 A 92 92 SER CB C 92 63.317 64.761 -1.444 1
1 958 . 10 1 1 A 92 92 SER C C 92 174.195 172.581 1.614 1
1 959 . 10 1 1 A 93 93 PRO CA C 93 62.333 62.404 -0.071 1
1 960 . 10 1 1 A 93 93 PRO HA H 93 5.483 4.704 0.779 1
1 961 . 10 1 1 A 93 93 PRO CB C 93 34.386 32.764 1.622 1
1 970 . 10 1 1 A 93 93 PRO C C 93 176.059 174.820 1.239 1
1 971 . 10 1 1 A 94 94 TYR N N 94 122.179 119.328 2.851 1
1 972 . 10 1 1 A 94 94 TYR H H 94 9.372 8.890 0.482 1
1 973 . 10 1 1 A 94 94 TYR CA C 94 57.101 56.766 0.335 1
1 974 . 10 1 1 A 94 94 TYR HA H 94 4.531 5.184 -0.653 1
1 975 . 10 1 1 A 94 94 TYR CB C 94 40.027 41.779 -1.752 1
1 986 . 10 1 1 A 94 94 TYR C C 94 175.281 174.157 1.124 1
1 987 . 10 1 1 A 95 95 LEU N N 95 126.428 123.920 2.508 1
1 988 . 10 1 1 A 95 95 LEU H H 95 8.807 8.737 0.070 1
1 989 . 10 1 1 A 95 95 LEU CA C 95 54.200 53.725 0.475 1
1 990 . 10 1 1 A 95 95 LEU HA H 95 4.981 5.121 -0.140 1
1 991 . 10 1 1 A 95 95 LEU CB C 95 41.894 44.425 -2.531 1
1 1004 . 10 1 1 A 95 95 LEU C C 95 176.295 174.531 1.764 1
1 1005 . 10 1 1 A 96 96 VAL N N 96 130.944 127.652 3.292 1
1 1006 . 10 1 1 A 96 96 VAL H H 96 9.629 8.868 0.761 1
1 1007 . 10 1 1 A 96 96 VAL CA C 96 59.813 59.354 0.459 1
1 1008 . 10 1 1 A 96 96 VAL HA H 96 4.469 4.602 -0.133 1
1 1009 . 10 1 1 A 96 96 VAL CB C 96 35.052 33.047 2.005 1
1 1019 . 10 1 1 A 96 96 VAL C C 96 173.734 174.746 -1.012 1
1 1020 . 10 1 1 A 97 97 PRO CA C 97 62.379 62.351 0.028 1
1 1021 . 10 1 1 A 97 97 PRO HA H 97 5.016 4.767 0.249 1
1 1022 . 10 1 1 A 97 97 PRO CB C 97 32.163 29.616 2.547 1
1 1031 . 10 1 1 A 97 97 PRO C C 97 175.950 176.421 -0.471 1
1 1032 . 10 1 1 A 98 98 VAL N N 98 125.524 123.568 1.956 1
1 1033 . 10 1 1 A 98 98 VAL H H 98 9.196 8.633 0.563 1
1 1034 . 10 1 1 A 98 98 VAL CA C 98 61.345 62.052 -0.707 1
1 1035 . 10 1 1 A 98 98 VAL HA H 98 4.411 4.598 -0.187 1
1 1036 . 10 1 1 A 98 98 VAL CB C 98 32.037 31.181 0.856 1
1 1046 . 10 1 1 A 98 98 VAL C C 98 176.996 175.862 1.134 1
1 1047 . 10 1 1 A 99 99 ILE N N 99 124.035 123.265 0.770 1
1 1048 . 10 1 1 A 99 99 ILE H H 99 8.392 8.734 -0.342 1
1 1049 . 10 1 1 A 99 99 ILE CA C 99 59.802 58.434 1.368 1
1 1050 . 10 1 1 A 99 99 ILE HA H 99 4.651 4.942 -0.291 1
1 1051 . 10 1 1 A 99 99 ILE CB C 99 40.609 41.266 -0.657 1
1 1064 . 10 1 1 A 99 99 ILE C C 99 175.482 174.688 0.794 1
1 1065 . 10 1 1 A 100 100 ALA N N 100 125.837 125.430 0.407 1
1 1066 . 10 1 1 A 100 100 ALA H H 100 8.714 8.477 0.237 1
1 1067 . 10 1 1 A 100 100 ALA CA C 100 50.416 50.144 0.272 1
1 1068 . 10 1 1 A 100 100 ALA HA H 100 4.603 4.479 0.124 1
1 1069 . 10 1 1 A 100 100 ALA CB C 100 18.088 19.543 -1.455 1
1 1073 . 10 1 1 A 100 100 ALA C C 100 175.264 176.129 -0.865 1
1 1074 . 10 1 1 A 101 101 PRO CA C 101 63.104 62.767 0.337 1
1 1075 . 10 1 1 A 101 101 PRO HA H 101 4.483 4.508 -0.025 1
1 1076 . 10 1 1 A 101 101 PRO CB C 101 32.222 32.259 -0.037 1
1 1085 . 10 1 1 A 101 101 PRO C C 101 176.976 176.553 0.423 1
1 1086 . 10 1 1 A 102 102 SER N N 102 116.530 118.070 -1.540 1
1 1087 . 10 1 1 A 102 102 SER H H 102 8.527 8.447 0.080 1
1 1088 . 10 1 1 A 102 102 SER CA C 102 58.283 58.190 0.093 1
1 1089 . 10 1 1 A 102 102 SER HA H 102 4.433 4.623 -0.190 1
1 1090 . 10 1 1 A 102 102 SER CB C 102 64.078 63.144 0.934 1
1 1093 . 10 1 1 A 102 102 SER C C 102 174.510 173.341 1.169 1
1 1094 . 10 1 1 A 103 103 ASP N N 103 123.018 127.715 -4.697 1
1 1095 . 10 1 1 A 103 103 ASP H H 103 8.450 8.872 -0.422 1
1 1096 . 10 1 1 A 103 103 ASP CA C 103 54.431 52.934 1.497 1
1 1097 . 10 1 1 A 103 103 ASP HA H 103 4.654 5.305 -0.651 1
1 1098 . 10 1 1 A 103 103 ASP CB C 103 41.226 45.142 -3.916 1
1 1101 . 10 1 1 A 103 103 ASP C C 103 175.889 174.310 1.579 1
1 1102 . 10 1 1 A 104 104 ASP N N 104 120.896 118.703 2.193 1
1 1103 . 10 1 1 A 104 104 ASP H H 104 8.264 8.662 -0.398 1
1 1104 . 10 1 1 A 104 104 ASP CA C 104 54.283 52.325 1.958 1
1 1105 . 10 1 1 A 104 104 ASP HA H 104 4.601 5.079 -0.478 1
1 1106 . 10 1 1 A 104 104 ASP CB C 104 41.183 45.019 -3.836 1
1 1109 . 10 1 1 A 104 104 ASP C C 104 175.065 175.363 -0.298 1
1 1 . 11 1 1 A 7 7 GLY N N 7 110.767 107.053 3.714 1
1 2 . 11 1 1 A 7 7 GLY H H 7 8.421 7.828 0.593 1
1 3 . 11 1 1 A 7 7 GLY CA C 7 45.393 44.743 0.650 1
1 4 . 11 1 1 A 7 7 GLY HA2 H 7 4.003 4.047 -0.044 1
1 5 . 11 1 1 A 7 7 GLY HA3 H 7 4.003 4.047 -0.044 1
1 6 . 11 1 1 A 7 7 GLY C C 7 174.160 173.434 0.726 1
1 7 . 11 1 1 A 8 8 GLU N N 8 120.419 121.293 -0.874 1
1 8 . 11 1 1 A 8 8 GLU H H 8 8.320 8.557 -0.237 1
1 9 . 11 1 1 A 8 8 GLU CA C 8 56.499 55.630 0.869 1
1 10 . 11 1 1 A 8 8 GLU HA H 8 4.390 4.991 -0.601 1
1 11 . 11 1 1 A 8 8 GLU CB C 8 30.615 30.686 -0.071 1
1 17 . 11 1 1 A 8 8 GLU C C 8 176.858 175.866 0.992 1
1 18 . 11 1 1 A 9 9 GLY N N 9 109.731 110.321 -0.590 1
1 19 . 11 1 1 A 9 9 GLY H H 9 8.522 8.608 -0.086 1
1 20 . 11 1 1 A 9 9 GLY CA C 9 45.110 45.497 -0.387 1
1 21 . 11 1 1 A 9 9 GLY HA2 H 9 4.090 4.489 -0.399 1
1 22 . 11 1 1 A 9 9 GLY HA3 H 9 3.931 4.539 -0.608 1
1 23 . 11 1 1 A 9 9 GLY C C 9 173.933 172.945 0.988 1
1 24 . 11 1 1 A 10 10 GLY N N 10 107.139 108.177 -1.038 1
1 25 . 11 1 1 A 10 10 GLY H H 10 8.393 8.465 -0.072 1
1 26 . 11 1 1 A 10 10 GLY CA C 10 45.039 46.556 -1.517 1
1 27 . 11 1 1 A 10 10 GLY HA2 H 10 3.868 4.441 -0.573 1
1 28 . 11 1 1 A 10 10 GLY HA3 H 10 4.528 4.485 0.043 1
1 29 . 11 1 1 A 10 10 GLY C C 10 174.561 173.918 0.643 1
1 30 . 11 1 1 A 11 11 ALA N N 11 122.466 127.985 -5.519 1
1 31 . 11 1 1 A 11 11 ALA H H 11 8.875 9.011 -0.136 1
1 32 . 11 1 1 A 11 11 ALA CA C 11 55.391 55.031 0.360 1
1 33 . 11 1 1 A 11 11 ALA HA H 11 3.803 4.307 -0.504 1
1 34 . 11 1 1 A 11 11 ALA CB C 11 19.583 19.049 0.534 1
1 38 . 11 1 1 A 11 11 ALA C C 11 178.242 180.112 -1.870 1
1 39 . 11 1 1 A 12 12 HIS N N 12 111.513 115.094 -3.581 1
1 40 . 11 1 1 A 12 12 HIS H H 12 8.290 8.685 -0.395 1
1 41 . 11 1 1 A 12 12 HIS CA C 12 57.847 59.042 -1.195 1
1 42 . 11 1 1 A 12 12 HIS HA H 12 4.443 4.418 0.025 1
1 43 . 11 1 1 A 12 12 HIS CB C 12 29.321 28.780 0.541 1
1 50 . 11 1 1 A 12 12 HIS C C 12 176.189 176.165 0.024 1
1 51 . 11 1 1 A 13 13 LYS N N 13 118.111 118.016 0.095 1
1 52 . 11 1 1 A 13 13 LYS H H 13 7.558 7.225 0.333 1
1 53 . 11 1 1 A 13 13 LYS CA C 13 54.660 55.576 -0.916 1
1 54 . 11 1 1 A 13 13 LYS HA H 13 4.202 4.149 0.053 1
1 55 . 11 1 1 A 13 13 LYS CB C 13 32.655 32.233 0.422 1
1 67 . 11 1 1 A 13 13 LYS C C 13 176.721 174.663 2.058 1
1 68 . 11 1 1 A 14 14 VAL N N 14 123.625 119.314 4.311 1
1 69 . 11 1 1 A 14 14 VAL H H 14 7.499 7.469 0.030 1
1 70 . 11 1 1 A 14 14 VAL CA C 14 63.247 60.968 2.279 1
1 71 . 11 1 1 A 14 14 VAL HA H 14 3.907 4.528 -0.621 1
1 72 . 11 1 1 A 14 14 VAL CB C 14 31.649 34.444 -2.795 1
1 82 . 11 1 1 A 15 15 ARG H H 15 8.106 8.877 -0.771 1
1 83 . 11 1 1 A 15 15 ARG CA C 15 53.791 53.563 0.228 1
1 84 . 11 1 1 A 15 15 ARG HA H 15 5.021 5.077 -0.056 1
1 85 . 11 1 1 A 15 15 ARG CB C 15 34.207 33.766 0.441 1
1 94 . 11 1 1 A 16 16 ALA N N 16 123.795 125.286 -1.491 1
1 95 . 11 1 1 A 16 16 ALA H H 16 8.875 8.633 0.242 1
1 96 . 11 1 1 A 16 16 ALA CA C 16 51.092 50.195 0.897 1
1 97 . 11 1 1 A 16 16 ALA HA H 16 5.569 4.699 0.870 1
1 98 . 11 1 1 A 16 16 ALA CB C 16 23.845 22.538 1.307 1
1 102 . 11 1 1 A 17 17 GLY N N 17 106.516 106.480 0.036 1
1 103 . 11 1 1 A 17 17 GLY H H 17 8.616 7.964 0.652 1
1 104 . 11 1 1 A 17 17 GLY CA C 17 46.205 45.547 0.658 1
1 105 . 11 1 1 A 17 17 GLY HA2 H 17 4.289 4.247 0.042 1
1 106 . 11 1 1 A 17 17 GLY HA3 H 17 4.226 4.366 -0.140 1
1 107 . 11 1 1 A 18 18 GLY N N 18 111.804 108.702 3.102 1
1 108 . 11 1 1 A 18 18 GLY H H 18 8.816 8.533 0.283 1
1 109 . 11 1 1 A 18 18 GLY CA C 18 44.595 44.989 -0.394 1
1 110 . 11 1 1 A 18 18 GLY HA2 H 18 4.105 4.230 -0.125 1
1 111 . 11 1 1 A 18 18 GLY HA3 H 18 4.105 4.243 -0.138 1
1 112 . 11 1 1 A 19 19 PRO CA C 19 65.526 63.675 1.851 1
1 113 . 11 1 1 A 19 19 PRO HA H 19 4.335 4.332 0.003 1
1 114 . 11 1 1 A 19 19 PRO CB C 19 31.790 31.316 0.474 1
1 123 . 11 1 1 A 19 19 PRO C C 19 179.208 177.497 1.711 1
1 124 . 11 1 1 A 20 20 GLY N N 20 103.234 112.641 -9.407 1
1 125 . 11 1 1 A 20 20 GLY H H 20 9.282 8.783 0.499 1
1 126 . 11 1 1 A 20 20 GLY CA C 20 46.361 45.451 0.910 1
1 127 . 11 1 1 A 20 20 GLY HA2 H 20 3.214 4.030 -0.816 1
1 128 . 11 1 1 A 20 20 GLY HA3 H 20 4.184 4.207 -0.023 1
1 129 . 11 1 1 A 20 20 GLY C C 20 172.711 176.030 -3.319 1
1 130 . 11 1 1 A 21 21 LEU N N 21 116.307 122.179 -5.872 1
1 131 . 11 1 1 A 21 21 LEU H H 21 7.559 7.695 -0.136 1
1 132 . 11 1 1 A 21 21 LEU CA C 21 53.980 57.345 -3.365 1
1 133 . 11 1 1 A 21 21 LEU HA H 21 4.166 4.041 0.125 1
1 134 . 11 1 1 A 21 21 LEU CB C 21 40.135 41.256 -1.121 1
1 147 . 11 1 1 A 21 21 LEU C C 21 175.859 178.813 -2.954 1
1 148 . 11 1 1 A 22 22 GLU N N 22 119.926 118.892 1.034 1
1 149 . 11 1 1 A 22 22 GLU H H 22 7.927 7.991 -0.064 1
1 150 . 11 1 1 A 22 22 GLU CA C 22 57.490 59.693 -2.203 1
1 151 . 11 1 1 A 22 22 GLU HA H 22 4.511 4.173 0.338 1
1 152 . 11 1 1 A 22 22 GLU CB C 22 32.057 29.995 2.062 1
1 158 . 11 1 1 A 22 22 GLU C C 22 175.521 176.908 -1.387 1
1 159 . 11 1 1 A 23 23 ARG N N 23 116.789 117.596 -0.807 1
1 160 . 11 1 1 A 23 23 ARG H H 23 8.340 7.670 0.670 1
1 161 . 11 1 1 A 23 23 ARG CA C 23 56.464 55.635 0.829 1
1 162 . 11 1 1 A 23 23 ARG HA H 23 4.688 4.809 -0.121 1
1 163 . 11 1 1 A 23 23 ARG CB C 23 32.571 33.727 -1.156 1
1 174 . 11 1 1 A 23 23 ARG C C 23 173.992 174.554 -0.562 1
1 175 . 11 1 1 A 24 24 GLY N N 24 108.837 112.670 -3.833 1
1 176 . 11 1 1 A 24 24 GLY H H 24 8.736 8.944 -0.208 1
1 177 . 11 1 1 A 24 24 GLY CA C 24 43.943 44.629 -0.686 1
1 178 . 11 1 1 A 24 24 GLY HA2 H 24 3.510 4.272 -0.762 1
1 179 . 11 1 1 A 24 24 GLY HA3 H 24 4.679 4.323 0.356 1
1 180 . 11 1 1 A 24 24 GLY C C 24 171.930 172.677 -0.747 1
1 181 . 11 1 1 A 25 25 GLU N N 25 122.126 120.685 1.441 1
1 182 . 11 1 1 A 25 25 GLU H H 25 9.429 8.536 0.893 1
1 183 . 11 1 1 A 25 25 GLU CA C 25 54.209 54.785 -0.576 1
1 184 . 11 1 1 A 25 25 GLU HA H 25 5.049 5.142 -0.093 1
1 185 . 11 1 1 A 25 25 GLU CB C 25 32.945 32.928 0.017 1
1 191 . 11 1 1 A 25 25 GLU C C 25 175.853 175.705 0.148 1
1 192 . 11 1 1 A 26 26 ALA N N 26 128.654 127.977 0.677 1
1 193 . 11 1 1 A 26 26 ALA H H 26 8.518 8.701 -0.183 1
1 194 . 11 1 1 A 26 26 ALA CA C 26 53.187 53.952 -0.765 1
1 195 . 11 1 1 A 26 26 ALA HA H 26 3.855 4.343 -0.488 1
1 196 . 11 1 1 A 26 26 ALA CB C 26 17.420 18.593 -1.173 1
1 200 . 11 1 1 A 26 26 ALA C C 26 177.837 178.067 -0.230 1
1 201 . 11 1 1 A 27 27 GLY N N 27 108.210 110.812 -2.602 1
1 202 . 11 1 1 A 27 27 GLY H H 27 8.583 8.913 -0.330 1
1 203 . 11 1 1 A 27 27 GLY CA C 27 45.619 45.035 0.584 1
1 204 . 11 1 1 A 27 27 GLY HA2 H 27 3.364 3.969 -0.605 1
1 205 . 11 1 1 A 27 27 GLY HA3 H 27 4.158 3.972 0.186 1
1 206 . 11 1 1 A 27 27 GLY C C 27 173.084 173.913 -0.829 1
1 207 . 11 1 1 A 28 28 VAL N N 28 122.974 121.887 1.087 1
1 208 . 11 1 1 A 28 28 VAL H H 28 7.878 7.755 0.123 1
1 209 . 11 1 1 A 28 28 VAL CA C 28 59.182 59.350 -0.168 1
1 210 . 11 1 1 A 28 28 VAL HA H 28 4.510 4.271 0.239 1
1 211 . 11 1 1 A 28 28 VAL CB C 28 34.549 32.491 2.058 1
1 221 . 11 1 1 A 28 28 VAL C C 28 174.171 174.749 -0.578 1
1 222 . 11 1 1 A 29 29 PRO CA C 29 64.354 62.193 2.161 1
1 223 . 11 1 1 A 29 29 PRO HA H 29 4.064 4.667 -0.603 1
1 224 . 11 1 1 A 29 29 PRO CB C 29 31.464 31.558 -0.094 1
1 233 . 11 1 1 A 29 29 PRO C C 29 174.718 175.746 -1.028 1
1 234 . 11 1 1 A 30 30 ALA N N 30 131.821 126.676 5.145 1
1 235 . 11 1 1 A 30 30 ALA H H 30 8.990 8.309 0.681 1
1 236 . 11 1 1 A 30 30 ALA CA C 30 50.482 50.699 -0.217 1
1 237 . 11 1 1 A 30 30 ALA HA H 30 4.558 4.523 0.035 1
1 238 . 11 1 1 A 30 30 ALA CB C 30 18.793 19.543 -0.750 1
1 242 . 11 1 1 A 30 30 ALA C C 30 176.319 176.251 0.068 1
1 243 . 11 1 1 A 31 31 GLU N N 31 119.523 121.120 -1.597 1
1 244 . 11 1 1 A 31 31 GLU H H 31 8.273 8.685 -0.412 1
1 245 . 11 1 1 A 31 31 GLU CA C 31 55.261 54.848 0.413 1
1 246 . 11 1 1 A 31 31 GLU HA H 31 5.290 5.215 0.075 1
1 247 . 11 1 1 A 31 31 GLU CB C 31 33.484 32.605 0.879 1
1 253 . 11 1 1 A 31 31 GLU C C 31 176.617 175.532 1.085 1
1 254 . 11 1 1 A 32 32 PHE N N 32 115.139 118.222 -3.083 1
1 255 . 11 1 1 A 32 32 PHE H H 32 8.905 7.802 1.103 1
1 256 . 11 1 1 A 32 32 PHE CA C 32 57.490 55.261 2.229 1
1 257 . 11 1 1 A 32 32 PHE HA H 32 5.031 5.424 -0.393 1
1 258 . 11 1 1 A 32 32 PHE CB C 32 39.989 41.599 -1.610 1
1 271 . 11 1 1 A 32 32 PHE C C 32 172.714 172.859 -0.145 1
1 272 . 11 1 1 A 33 33 SER CA C 33 57.324 56.000 1.324 1
1 273 . 11 1 1 A 33 33 SER HA H 33 5.404 5.392 0.012 1
1 274 . 11 1 1 A 33 33 SER CB C 33 66.623 65.975 0.648 1
1 277 . 11 1 1 A 34 34 ILE N N 34 127.688 124.594 3.094 1
1 278 . 11 1 1 A 34 34 ILE H H 34 9.577 9.084 0.493 1
1 279 . 11 1 1 A 34 34 ILE CA C 34 60.614 60.215 0.399 1
1 280 . 11 1 1 A 34 34 ILE HA H 34 4.668 4.840 -0.172 1
1 281 . 11 1 1 A 34 34 ILE CB C 34 41.681 39.572 2.109 1
1 294 . 11 1 1 A 35 35 TRP CA C 35 58.440 54.738 3.702 1
1 295 . 11 1 1 A 35 35 TRP HA H 35 5.262 5.927 -0.665 1
1 296 . 11 1 1 A 35 35 TRP CB C 35 30.511 32.682 -2.171 1
1 311 . 11 1 1 A 36 36 THR N N 36 114.021 114.695 -0.674 1
1 312 . 11 1 1 A 36 36 THR H H 36 8.680 8.962 -0.282 1
1 313 . 11 1 1 A 36 36 THR CA C 36 61.459 60.631 0.828 1
1 314 . 11 1 1 A 36 36 THR HA H 36 4.364 5.007 -0.643 1
1 315 . 11 1 1 A 36 36 THR CB C 36 69.197 70.087 -0.890 1
1 321 . 11 1 1 A 37 37 ARG CA C 37 56.501 54.644 1.857 1
1 322 . 11 1 1 A 37 37 ARG HA H 37 4.207 4.786 -0.579 1
1 323 . 11 1 1 A 37 37 ARG CB C 37 30.884 31.119 -0.235 1
1 332 . 11 1 1 A 37 37 ARG C C 37 173.005 176.719 -3.714 1
1 333 . 11 1 1 A 38 38 GLU H H 38 8.371 9.136 -0.765 1
1 334 . 11 1 1 A 38 38 GLU CA C 38 56.895 57.201 -0.306 1
1 335 . 11 1 1 A 38 38 GLU HA H 38 4.270 4.080 0.190 1
1 336 . 11 1 1 A 38 38 GLU CB C 38 30.001 28.202 1.799 1
1 342 . 11 1 1 A 39 39 ALA N N 39 121.133 121.262 -0.129 1
1 343 . 11 1 1 A 39 39 ALA H H 39 7.665 8.350 -0.685 1
1 344 . 11 1 1 A 39 39 ALA CA C 39 52.963 53.321 -0.358 1
1 345 . 11 1 1 A 39 39 ALA HA H 39 3.964 4.201 -0.237 1
1 346 . 11 1 1 A 39 39 ALA CB C 39 21.097 20.008 1.089 1
1 350 . 11 1 1 A 39 39 ALA C C 39 177.871 177.883 -0.012 1
1 351 . 11 1 1 A 40 40 GLY N N 40 105.600 104.535 1.065 1
1 352 . 11 1 1 A 40 40 GLY H H 40 7.654 7.871 -0.217 1
1 353 . 11 1 1 A 40 40 GLY CA C 40 44.261 44.957 -0.696 1
1 354 . 11 1 1 A 40 40 GLY HA2 H 40 3.766 4.185 -0.419 1
1 355 . 11 1 1 A 40 40 GLY HA3 H 40 4.196 4.209 -0.013 1
1 356 . 11 1 1 A 40 40 GLY C C 40 172.824 173.069 -0.245 1
1 357 . 11 1 1 A 41 41 ALA N N 41 122.720 126.047 -3.327 1
1 358 . 11 1 1 A 41 41 ALA H H 41 8.364 8.264 0.100 1
1 359 . 11 1 1 A 41 41 ALA CA C 41 52.502 51.061 1.441 1
1 360 . 11 1 1 A 41 41 ALA HA H 41 4.396 5.159 -0.763 1
1 361 . 11 1 1 A 41 41 ALA CB C 41 19.295 21.597 -2.302 1
1 365 . 11 1 1 A 41 41 ALA C C 41 178.393 176.379 2.014 1
1 366 . 11 1 1 A 42 42 GLY N N 42 109.713 108.806 0.907 1
1 367 . 11 1 1 A 42 42 GLY H H 42 8.194 8.570 -0.376 1
1 368 . 11 1 1 A 42 42 GLY CA C 42 45.853 45.652 0.201 1
1 369 . 11 1 1 A 42 42 GLY HA2 H 42 3.616 3.469 0.147 1
1 370 . 11 1 1 A 42 42 GLY HA3 H 42 3.761 4.050 -0.289 1
1 371 . 11 1 1 A 42 42 GLY C C 42 172.178 172.246 -0.068 1
1 372 . 11 1 1 A 43 43 GLY N N 43 105.505 108.566 -3.061 1
1 373 . 11 1 1 A 43 43 GLY H H 43 7.422 8.306 -0.884 1
1 374 . 11 1 1 A 43 43 GLY CA C 43 44.382 44.154 0.228 1
1 375 . 11 1 1 A 43 43 GLY HA2 H 43 3.420 4.232 -0.812 1
1 376 . 11 1 1 A 43 43 GLY HA3 H 43 4.295 4.315 -0.020 1
1 377 . 11 1 1 A 43 43 GLY C C 43 172.885 171.693 1.192 1
1 378 . 11 1 1 A 44 44 LEU N N 44 125.007 125.079 -0.072 1
1 379 . 11 1 1 A 44 44 LEU H H 44 8.525 9.183 -0.658 1
1 380 . 11 1 1 A 44 44 LEU CA C 44 53.589 53.695 -0.106 1
1 381 . 11 1 1 A 44 44 LEU HA H 44 5.357 5.108 0.249 1
1 382 . 11 1 1 A 44 44 LEU CB C 44 45.602 42.906 2.696 1
1 395 . 11 1 1 A 44 44 LEU C C 44 177.034 175.403 1.631 1
1 396 . 11 1 1 A 45 45 SER N N 45 117.626 122.519 -4.893 1
1 397 . 11 1 1 A 45 45 SER H H 45 9.010 8.753 0.257 1
1 398 . 11 1 1 A 45 45 SER CA C 45 57.065 58.011 -0.946 1
1 399 . 11 1 1 A 45 45 SER HA H 45 4.660 4.953 -0.293 1
1 400 . 11 1 1 A 45 45 SER CB C 45 65.309 63.769 1.540 1
1 403 . 11 1 1 A 45 45 SER C C 45 172.724 173.802 -1.078 1
1 404 . 11 1 1 A 46 46 ILE N N 46 125.604 127.801 -2.197 1
1 405 . 11 1 1 A 46 46 ILE H H 46 8.584 9.120 -0.536 1
1 406 . 11 1 1 A 46 46 ILE CA C 46 59.369 60.312 -0.943 1
1 407 . 11 1 1 A 46 46 ILE HA H 46 5.182 4.808 0.374 1
1 408 . 11 1 1 A 46 46 ILE CB C 46 40.879 39.372 1.507 1
1 421 . 11 1 1 A 46 46 ILE C C 46 174.318 174.802 -0.484 1
1 422 . 11 1 1 A 47 47 ALA N N 47 128.948 128.273 0.675 1
1 423 . 11 1 1 A 47 47 ALA H H 47 8.762 8.408 0.354 1
1 424 . 11 1 1 A 47 47 ALA CA C 47 51.123 51.039 0.084 1
1 425 . 11 1 1 A 47 47 ALA HA H 47 4.724 5.137 -0.413 1
1 426 . 11 1 1 A 47 47 ALA CB C 47 22.575 21.523 1.052 1
1 430 . 11 1 1 A 47 47 ALA C C 47 175.131 175.590 -0.459 1
1 431 . 11 1 1 A 48 48 VAL N N 48 121.512 123.662 -2.150 1
1 432 . 11 1 1 A 48 48 VAL H H 48 8.640 9.112 -0.472 1
1 433 . 11 1 1 A 48 48 VAL CA C 48 61.770 62.066 -0.296 1
1 434 . 11 1 1 A 48 48 VAL HA H 48 4.749 4.445 0.304 1
1 435 . 11 1 1 A 48 48 VAL CB C 48 33.642 31.835 1.807 1
1 445 . 11 1 1 A 48 48 VAL C C 48 174.870 175.176 -0.306 1
1 446 . 11 1 1 A 49 49 GLU N N 49 126.757 126.810 -0.053 1
1 447 . 11 1 1 A 49 49 GLU H H 49 8.898 8.856 0.042 1
1 448 . 11 1 1 A 49 49 GLU CA C 49 54.457 54.789 -0.332 1
1 449 . 11 1 1 A 49 49 GLU HA H 49 5.003 5.168 -0.165 1
1 450 . 11 1 1 A 49 49 GLU CB C 49 33.209 31.928 1.281 1
1 456 . 11 1 1 A 49 49 GLU C C 49 175.282 176.071 -0.789 1
1 457 . 11 1 1 A 50 50 GLY N N 50 112.668 111.265 1.403 1
1 458 . 11 1 1 A 50 50 GLY H H 50 8.563 8.511 0.052 1
1 459 . 11 1 1 A 50 50 GLY CA C 50 45.534 44.616 0.918 1
1 460 . 11 1 1 A 50 50 GLY HA2 H 50 3.481 3.649 -0.168 1
1 461 . 11 1 1 A 50 50 GLY HA3 H 50 3.836 4.029 -0.193 1
1 462 . 11 1 1 A 50 50 GLY C C 50 171.670 174.113 -2.443 1
1 463 . 11 1 1 A 51 51 PRO CA C 51 64.371 64.236 0.135 1
1 464 . 11 1 1 A 51 51 PRO HA H 51 4.309 4.327 -0.018 1
1 465 . 11 1 1 A 51 51 PRO CB C 51 32.183 32.020 0.163 1
1 474 . 11 1 1 A 51 51 PRO C C 51 175.938 176.196 -0.258 1
1 475 . 11 1 1 A 52 52 SER N N 52 109.776 114.259 -4.483 1
1 476 . 11 1 1 A 52 52 SER H H 52 7.281 7.542 -0.261 1
1 477 . 11 1 1 A 52 52 SER CA C 52 56.747 57.495 -0.748 1
1 478 . 11 1 1 A 52 52 SER HA H 52 4.688 4.972 -0.284 1
1 479 . 11 1 1 A 52 52 SER CB C 52 65.901 67.469 -1.568 1
1 482 . 11 1 1 A 52 52 SER C C 52 172.748 172.987 -0.239 1
1 483 . 11 1 1 A 53 53 LYS N N 53 121.441 123.780 -2.339 1
1 484 . 11 1 1 A 53 53 LYS H H 53 8.607 8.383 0.224 1
1 485 . 11 1 1 A 53 53 LYS CA C 53 56.641 57.033 -0.392 1
1 486 . 11 1 1 A 53 53 LYS HA H 53 4.391 4.349 0.042 1
1 487 . 11 1 1 A 53 53 LYS CB C 53 32.323 33.180 -0.857 1
1 499 . 11 1 1 A 53 53 LYS C C 53 175.721 175.624 0.097 1
1 500 . 11 1 1 A 54 54 ALA N N 54 129.914 128.275 1.639 1
1 501 . 11 1 1 A 54 54 ALA H H 54 8.941 8.738 0.203 1
1 502 . 11 1 1 A 54 54 ALA CA C 54 50.924 50.489 0.435 1
1 503 . 11 1 1 A 54 54 ALA HA H 54 4.962 5.271 -0.309 1
1 504 . 11 1 1 A 54 54 ALA CB C 54 20.004 22.414 -2.410 1
1 508 . 11 1 1 A 54 54 ALA C C 54 176.618 175.411 1.207 1
1 509 . 11 1 1 A 55 55 GLU N N 55 122.179 122.455 -0.276 1
1 510 . 11 1 1 A 55 55 GLU H H 55 8.153 8.767 -0.614 1
1 511 . 11 1 1 A 55 55 GLU CA C 55 55.689 56.606 -0.917 1
1 512 . 11 1 1 A 55 55 GLU HA H 55 4.569 4.570 -0.001 1
1 513 . 11 1 1 A 55 55 GLU CB C 55 31.003 30.534 0.469 1
1 519 . 11 1 1 A 55 55 GLU C C 55 176.867 175.466 1.401 1
1 520 . 11 1 1 A 56 56 ILE N N 56 127.733 126.428 1.305 1
1 521 . 11 1 1 A 56 56 ILE H H 56 8.948 8.655 0.293 1
1 522 . 11 1 1 A 56 56 ILE CA C 56 61.345 60.405 0.940 1
1 523 . 11 1 1 A 56 56 ILE HA H 56 4.744 5.228 -0.484 1
1 524 . 11 1 1 A 56 56 ILE CB C 56 40.978 41.631 -0.653 1
1 537 . 11 1 1 A 56 56 ILE C C 56 175.675 174.883 0.792 1
1 538 . 11 1 1 A 57 57 THR N N 57 124.172 123.825 0.347 1
1 539 . 11 1 1 A 57 57 THR H H 57 9.410 9.039 0.371 1
1 540 . 11 1 1 A 57 57 THR CA C 57 61.999 61.635 0.364 1
1 541 . 11 1 1 A 57 57 THR HA H 57 4.504 4.942 -0.438 1
1 542 . 11 1 1 A 57 57 THR CB C 57 70.660 70.487 0.173 1
1 548 . 11 1 1 A 57 57 THR C C 57 172.131 172.767 -0.636 1
1 549 . 11 1 1 A 58 58 PHE N N 58 126.429 128.493 -2.064 1
1 550 . 11 1 1 A 58 58 PHE H H 58 8.796 9.117 -0.321 1
1 551 . 11 1 1 A 58 58 PHE CA C 58 56.680 56.013 0.667 1
1 552 . 11 1 1 A 58 58 PHE HA H 58 4.981 5.297 -0.316 1
1 553 . 11 1 1 A 58 58 PHE CB C 58 42.400 41.516 0.884 1
1 566 . 11 1 1 A 58 58 PHE C C 58 173.719 173.515 0.204 1
1 567 . 11 1 1 A 59 59 ASP N N 59 126.210 126.227 -0.017 1
1 568 . 11 1 1 A 59 59 ASP H H 59 8.707 8.716 -0.009 1
1 569 . 11 1 1 A 59 59 ASP CA C 59 52.784 52.861 -0.077 1
1 570 . 11 1 1 A 59 59 ASP HA H 59 4.677 5.385 -0.708 1
1 571 . 11 1 1 A 59 59 ASP CB C 59 42.738 44.199 -1.461 1
1 574 . 11 1 1 A 59 59 ASP C C 59 173.710 174.424 -0.714 1
1 575 . 11 1 1 A 60 60 ASP N N 60 123.675 122.169 1.506 1
1 576 . 11 1 1 A 60 60 ASP H H 60 8.490 9.160 -0.670 1
1 577 . 11 1 1 A 60 60 ASP CA C 60 53.871 53.200 0.671 1
1 578 . 11 1 1 A 60 60 ASP HA H 60 4.447 5.166 -0.719 1
1 579 . 11 1 1 A 60 60 ASP CB C 60 41.108 40.827 0.281 1
1 582 . 11 1 1 A 60 60 ASP C C 60 176.691 175.309 1.382 1
1 583 . 11 1 1 A 61 61 HIS N N 61 124.385 118.960 5.425 1
1 584 . 11 1 1 A 61 61 HIS H H 61 8.122 8.361 -0.239 1
1 585 . 11 1 1 A 61 61 HIS CA C 61 55.608 54.266 1.342 1
1 586 . 11 1 1 A 61 61 HIS HA H 61 4.769 5.056 -0.287 1
1 587 . 11 1 1 A 61 61 HIS CB C 61 28.607 31.387 -2.780 1
1 594 . 11 1 1 A 61 61 HIS C C 61 175.701 173.747 1.954 1
1 595 . 11 1 1 A 62 62 LYS N N 62 115.195 120.760 -5.565 1
1 596 . 11 1 1 A 62 62 LYS H H 62 9.178 8.474 0.704 1
1 597 . 11 1 1 A 62 62 LYS CA C 62 57.585 57.274 0.311 1
1 598 . 11 1 1 A 62 62 LYS HA H 62 4.028 3.887 0.141 1
1 599 . 11 1 1 A 62 62 LYS CB C 62 29.373 32.569 -3.196 1
1 611 . 11 1 1 A 63 63 ASN N N 63 116.167 122.943 -6.776 1
1 612 . 11 1 1 A 63 63 ASN H H 63 7.900 8.494 -0.594 1
1 613 . 11 1 1 A 63 63 ASN CA C 63 52.056 52.902 -0.846 1
1 614 . 11 1 1 A 63 63 ASN HA H 63 4.835 5.001 -0.166 1
1 615 . 11 1 1 A 63 63 ASN CB C 63 38.468 38.926 -0.458 1
1 621 . 11 1 1 A 63 63 ASN C C 63 176.634 176.197 0.437 1
1 622 . 11 1 1 A 64 64 GLY N N 64 108.877 109.169 -0.292 1
1 623 . 11 1 1 A 64 64 GLY H H 64 8.718 8.162 0.556 1
1 624 . 11 1 1 A 64 64 GLY CA C 64 45.534 47.217 -1.683 1
1 625 . 11 1 1 A 64 64 GLY HA2 H 64 3.619 3.801 -0.182 1
1 626 . 11 1 1 A 64 64 GLY HA3 H 64 4.247 3.803 0.444 1
1 627 . 11 1 1 A 65 65 SER N N 65 115.229 116.390 -1.161 1
1 628 . 11 1 1 A 65 65 SER H H 65 7.962 8.000 -0.038 1
1 629 . 11 1 1 A 65 65 SER CA C 65 57.108 60.867 -3.759 1
1 630 . 11 1 1 A 65 65 SER HA H 65 5.531 4.225 1.306 1
1 631 . 11 1 1 A 65 65 SER CB C 65 67.290 63.491 3.799 1
1 634 . 11 1 1 A 66 66 CYS N N 66 118.007 116.635 1.372 1
1 635 . 11 1 1 A 66 66 CYS H H 66 8.807 7.588 1.219 1
1 636 . 11 1 1 A 66 66 CYS CA C 66 56.476 58.174 -1.698 1
1 637 . 11 1 1 A 66 66 CYS HA H 66 4.672 4.855 -0.183 1
1 638 . 11 1 1 A 66 66 CYS CB C 66 31.077 32.878 -1.801 1
1 641 . 11 1 1 A 67 67 GLY N N 67 112.448 108.784 3.664 1
1 642 . 11 1 1 A 67 67 GLY H H 67 8.679 8.187 0.492 1
1 643 . 11 1 1 A 67 67 GLY CA C 67 45.004 45.834 -0.830 1
1 644 . 11 1 1 A 67 67 GLY HA2 H 67 3.629 3.809 -0.180 1
1 645 . 11 1 1 A 67 67 GLY HA3 H 67 4.645 3.858 0.787 1
1 646 . 11 1 1 A 67 67 GLY C C 67 171.754 173.856 -2.102 1
1 647 . 11 1 1 A 68 68 VAL N N 68 123.840 118.162 5.678 1
1 648 . 11 1 1 A 68 68 VAL H H 68 8.486 7.423 1.063 1
1 649 . 11 1 1 A 68 68 VAL CA C 68 60.143 62.531 -2.388 1
1 650 . 11 1 1 A 68 68 VAL HA H 68 4.579 3.828 0.751 1
1 651 . 11 1 1 A 68 68 VAL CB C 68 33.946 31.721 2.225 1
1 661 . 11 1 1 A 68 68 VAL C C 68 174.396 174.951 -0.555 1
1 662 . 11 1 1 A 69 69 SER N N 69 119.414 119.063 0.351 1
1 663 . 11 1 1 A 69 69 SER H H 69 8.450 8.250 0.200 1
1 664 . 11 1 1 A 69 69 SER CA C 69 56.169 56.144 0.025 1
1 665 . 11 1 1 A 69 69 SER HA H 69 5.442 5.202 0.240 1
1 666 . 11 1 1 A 69 69 SER CB C 69 65.640 66.515 -0.875 1
1 669 . 11 1 1 A 69 69 SER C C 69 173.189 173.105 0.084 1
1 670 . 11 1 1 A 70 70 TYR N N 70 119.504 117.219 2.285 1
1 671 . 11 1 1 A 70 70 TYR H H 70 8.771 8.760 0.011 1
1 672 . 11 1 1 A 70 70 TYR CA C 70 54.962 56.166 -1.204 1
1 673 . 11 1 1 A 70 70 TYR HA H 70 5.922 5.772 0.150 1
1 674 . 11 1 1 A 70 70 TYR CB C 70 42.710 41.547 1.163 1
1 685 . 11 1 1 A 70 70 TYR C C 70 173.056 172.629 0.427 1
1 686 . 11 1 1 A 71 71 ILE N N 71 117.727 122.301 -4.574 1
1 687 . 11 1 1 A 71 71 ILE H H 71 8.196 8.511 -0.315 1
1 688 . 11 1 1 A 71 71 ILE CA C 71 60.132 59.762 0.370 1
1 689 . 11 1 1 A 71 71 ILE HA H 71 4.161 4.755 -0.594 1
1 690 . 11 1 1 A 71 71 ILE CB C 71 40.790 41.496 -0.706 1
1 703 . 11 1 1 A 71 71 ILE C C 71 175.114 174.997 0.117 1
1 704 . 11 1 1 A 72 72 ALA N N 72 133.145 127.937 5.208 1
1 705 . 11 1 1 A 72 72 ALA H H 72 9.466 8.429 1.037 1
1 706 . 11 1 1 A 72 72 ALA CA C 72 50.261 50.520 -0.259 1
1 707 . 11 1 1 A 72 72 ALA HA H 72 4.567 4.626 -0.059 1
1 708 . 11 1 1 A 72 72 ALA CB C 72 19.699 19.844 -0.145 1
1 712 . 11 1 1 A 72 72 ALA C C 72 177.170 177.746 -0.576 1
1 713 . 11 1 1 A 73 73 GLN N N 73 120.464 124.507 -4.043 1
1 714 . 11 1 1 A 73 73 GLN H H 73 8.649 8.634 0.015 1
1 715 . 11 1 1 A 73 73 GLN CA C 73 57.614 58.848 -1.234 1
1 716 . 11 1 1 A 73 73 GLN HA H 73 4.083 4.125 -0.042 1
1 717 . 11 1 1 A 73 73 GLN CB C 73 29.667 28.917 0.750 1
1 726 . 11 1 1 A 73 73 GLN C C 73 175.643 176.461 -0.818 1
1 727 . 11 1 1 A 74 74 GLU N N 74 114.557 117.892 -3.335 1
1 728 . 11 1 1 A 74 74 GLU H H 74 7.102 8.187 -1.085 1
1 729 . 11 1 1 A 74 74 GLU CA C 74 52.242 53.028 -0.786 1
1 730 . 11 1 1 A 74 74 GLU HA H 74 4.988 4.807 0.181 1
1 731 . 11 1 1 A 74 74 GLU CB C 74 31.732 31.012 0.720 1
1 737 . 11 1 1 A 74 74 GLU C C 74 174.462 174.013 0.449 1
1 738 . 11 1 1 A 75 75 PRO CA C 75 63.007 63.325 -0.318 1
1 739 . 11 1 1 A 75 75 PRO HA H 75 4.335 4.672 -0.337 1
1 740 . 11 1 1 A 75 75 PRO CB C 75 32.866 33.092 -0.226 1
1 749 . 11 1 1 A 75 75 PRO C C 75 174.572 175.949 -1.377 1
1 750 . 11 1 1 A 76 76 GLY N N 76 107.234 107.658 -0.424 1
1 751 . 11 1 1 A 76 76 GLY H H 76 9.012 8.680 0.332 1
1 752 . 11 1 1 A 76 76 GLY CA C 76 44.615 44.781 -0.166 1
1 753 . 11 1 1 A 76 76 GLY HA2 H 76 3.850 4.163 -0.313 1
1 754 . 11 1 1 A 76 76 GLY HA3 H 76 4.201 4.204 -0.003 1
1 755 . 11 1 1 A 76 76 GLY C C 76 171.133 173.133 -2.000 1
1 756 . 11 1 1 A 77 77 ASN N N 77 119.292 117.242 2.050 1
1 757 . 11 1 1 A 77 77 ASN H H 77 8.549 8.539 0.010 1
1 758 . 11 1 1 A 77 77 ASN CA C 77 52.364 52.102 0.262 1
1 759 . 11 1 1 A 77 77 ASN HA H 77 5.369 5.278 0.091 1
1 760 . 11 1 1 A 77 77 ASN CB C 77 39.176 38.884 0.292 1
1 766 . 11 1 1 A 77 77 ASN C C 77 174.470 173.810 0.660 1
1 767 . 11 1 1 A 78 78 TYR N N 78 123.809 124.636 -0.827 1
1 768 . 11 1 1 A 78 78 TYR H H 78 9.094 8.893 0.201 1
1 769 . 11 1 1 A 78 78 TYR CA C 78 56.818 57.636 -0.818 1
1 770 . 11 1 1 A 78 78 TYR HA H 78 4.859 4.928 -0.069 1
1 771 . 11 1 1 A 78 78 TYR CB C 78 39.860 39.718 0.142 1
1 782 . 11 1 1 A 78 78 TYR C C 78 174.184 174.981 -0.797 1
1 783 . 11 1 1 A 79 79 GLU N N 79 122.250 125.402 -3.152 1
1 784 . 11 1 1 A 79 79 GLU H H 79 9.259 8.915 0.344 1
1 785 . 11 1 1 A 79 79 GLU CA C 79 54.692 55.138 -0.446 1
1 786 . 11 1 1 A 79 79 GLU HA H 79 5.313 5.194 0.119 1
1 787 . 11 1 1 A 79 79 GLU CB C 79 32.159 30.666 1.493 1
1 793 . 11 1 1 A 79 79 GLU C C 79 176.631 175.100 1.531 1
1 794 . 11 1 1 A 80 80 VAL N N 80 131.418 128.334 3.084 1
1 795 . 11 1 1 A 80 80 VAL H H 80 9.761 8.620 1.141 1
1 796 . 11 1 1 A 80 80 VAL CA C 80 61.522 62.293 -0.771 1
1 797 . 11 1 1 A 80 80 VAL HA H 80 4.801 4.788 0.013 1
1 798 . 11 1 1 A 80 80 VAL CB C 80 32.818 31.813 1.005 1
1 808 . 11 1 1 A 80 80 VAL C C 80 175.573 175.043 0.530 1
1 809 . 11 1 1 A 81 81 SER N N 81 123.238 122.675 0.563 1
1 810 . 11 1 1 A 81 81 SER H H 81 9.457 9.336 0.121 1
1 811 . 11 1 1 A 81 81 SER CA C 81 57.589 56.970 0.619 1
1 812 . 11 1 1 A 81 81 SER HA H 81 5.167 5.013 0.154 1
1 813 . 11 1 1 A 81 81 SER CB C 81 64.882 64.009 0.873 1
1 816 . 11 1 1 A 81 81 SER C C 81 173.514 173.770 -0.256 1
1 817 . 11 1 1 A 82 82 ILE N N 82 126.261 128.677 -2.416 1
1 818 . 11 1 1 A 82 82 ILE H H 82 9.642 9.232 0.410 1
1 819 . 11 1 1 A 82 82 ILE CA C 82 60.992 59.998 0.994 1
1 820 . 11 1 1 A 82 82 ILE HA H 82 4.667 4.980 -0.313 1
1 821 . 11 1 1 A 82 82 ILE CB C 82 40.692 40.355 0.337 1
1 834 . 11 1 1 A 82 82 ILE C C 82 173.498 175.143 -1.645 1
1 835 . 11 1 1 A 83 83 LYS N N 83 123.477 126.879 -3.402 1
1 836 . 11 1 1 A 83 83 LYS H H 83 8.720 8.630 0.090 1
1 837 . 11 1 1 A 83 83 LYS CA C 83 53.730 54.762 -1.032 1
1 838 . 11 1 1 A 83 83 LYS HA H 83 5.139 5.224 -0.085 1
1 839 . 11 1 1 A 83 83 LYS CB C 83 36.351 34.645 1.706 1
1 851 . 11 1 1 A 83 83 LYS C C 83 174.914 174.585 0.329 1
1 852 . 11 1 1 A 84 84 PHE N N 84 122.298 126.731 -4.433 1
1 853 . 11 1 1 A 84 84 PHE H H 84 9.154 8.880 0.274 1
1 854 . 11 1 1 A 84 84 PHE CA C 84 56.057 57.520 -1.463 1
1 855 . 11 1 1 A 84 84 PHE HA H 84 5.238 5.063 0.175 1
1 856 . 11 1 1 A 84 84 PHE CB C 84 43.136 40.528 2.608 1
1 867 . 11 1 1 A 84 84 PHE C C 84 175.864 176.148 -0.284 1
1 868 . 11 1 1 A 85 85 ASN N N 85 127.936 125.174 2.762 1
1 869 . 11 1 1 A 85 85 ASN H H 85 9.040 8.718 0.322 1
1 870 . 11 1 1 A 85 85 ASN CA C 85 54.448 53.599 0.849 1
1 871 . 11 1 1 A 85 85 ASN HA H 85 4.206 4.167 0.039 1
1 872 . 11 1 1 A 85 85 ASN CB C 85 36.554 35.724 0.830 1
1 878 . 11 1 1 A 85 85 ASN C C 85 174.620 175.088 -0.468 1
1 879 . 11 1 1 A 86 86 ASP N N 86 108.763 118.109 -9.346 1
1 880 . 11 1 1 A 86 86 ASP H H 86 8.828 8.462 0.366 1
1 881 . 11 1 1 A 86 86 ASP CA C 86 56.405 55.136 1.269 1
1 882 . 11 1 1 A 86 86 ASP HA H 86 3.946 4.198 -0.252 1
1 883 . 11 1 1 A 86 86 ASP CB C 86 40.367 39.463 0.904 1
1 886 . 11 1 1 A 86 86 ASP C C 86 174.169 174.777 -0.608 1
1 887 . 11 1 1 A 87 87 GLU N N 87 119.289 116.977 2.312 1
1 888 . 11 1 1 A 87 87 GLU H H 87 7.510 7.460 0.050 1
1 889 . 11 1 1 A 87 87 GLU CA C 87 54.483 54.712 -0.229 1
1 890 . 11 1 1 A 87 87 GLU HA H 87 4.743 4.872 -0.129 1
1 891 . 11 1 1 A 87 87 GLU CB C 87 32.763 33.730 -0.967 1
1 897 . 11 1 1 A 87 87 GLU C C 87 175.825 175.314 0.511 1
1 898 . 11 1 1 A 88 88 HIS N N 88 123.465 120.699 2.766 1
1 899 . 11 1 1 A 88 88 HIS H H 88 8.822 9.074 -0.252 1
1 900 . 11 1 1 A 88 88 HIS CA C 88 59.117 55.503 3.614 1
1 901 . 11 1 1 A 88 88 HIS HA H 88 4.511 4.898 -0.387 1
1 902 . 11 1 1 A 88 88 HIS CB C 88 32.254 28.717 3.537 1
1 909 . 11 1 1 A 88 88 HIS C C 88 177.352 175.257 2.095 1
1 910 . 11 1 1 A 89 89 ILE N N 89 117.945 123.519 -5.574 1
1 911 . 11 1 1 A 89 89 ILE H H 89 8.131 8.427 -0.296 1
1 912 . 11 1 1 A 89 89 ILE CA C 89 61.121 60.211 0.910 1
1 913 . 11 1 1 A 89 89 ILE HA H 89 4.519 4.307 0.212 1
1 914 . 11 1 1 A 89 89 ILE CB C 89 35.538 37.689 -2.151 1
1 927 . 11 1 1 A 89 89 ILE C C 89 173.831 176.511 -2.680 1
1 928 . 11 1 1 A 90 90 PRO CA C 90 66.545 64.301 2.244 1
1 929 . 11 1 1 A 90 90 PRO HA H 90 4.223 4.542 -0.319 1
1 930 . 11 1 1 A 90 90 PRO CB C 90 31.693 31.489 0.204 1
1 939 . 11 1 1 A 90 90 PRO C C 90 177.046 176.560 0.486 1
1 940 . 11 1 1 A 91 91 GLU N N 91 113.835 117.236 -3.401 1
1 941 . 11 1 1 A 91 91 GLU H H 91 8.223 8.155 0.068 1
1 942 . 11 1 1 A 91 91 GLU CA C 91 57.913 56.381 1.532 1
1 943 . 11 1 1 A 91 91 GLU HA H 91 3.733 4.330 -0.597 1
1 944 . 11 1 1 A 91 91 GLU CB C 91 27.681 31.331 -3.650 1
1 950 . 11 1 1 A 91 91 GLU C C 91 173.469 175.840 -2.371 1
1 951 . 11 1 1 A 92 92 SER N N 92 111.462 112.906 -1.444 1
1 952 . 11 1 1 A 92 92 SER H H 92 7.489 7.530 -0.041 1
1 953 . 11 1 1 A 92 92 SER CA C 92 54.873 55.233 -0.360 1
1 954 . 11 1 1 A 92 92 SER HA H 92 4.427 4.578 -0.151 1
1 955 . 11 1 1 A 92 92 SER CB C 92 63.317 64.505 -1.188 1
1 958 . 11 1 1 A 92 92 SER C C 92 174.195 172.763 1.432 1
1 959 . 11 1 1 A 93 93 PRO CA C 93 62.333 62.446 -0.113 1
1 960 . 11 1 1 A 93 93 PRO HA H 93 5.483 4.742 0.741 1
1 961 . 11 1 1 A 93 93 PRO CB C 93 34.386 32.781 1.605 1
1 970 . 11 1 1 A 93 93 PRO C C 93 176.059 174.878 1.181 1
1 971 . 11 1 1 A 94 94 TYR N N 94 122.179 119.289 2.890 1
1 972 . 11 1 1 A 94 94 TYR H H 94 9.372 8.910 0.462 1
1 973 . 11 1 1 A 94 94 TYR CA C 94 57.101 56.755 0.346 1
1 974 . 11 1 1 A 94 94 TYR HA H 94 4.531 5.150 -0.619 1
1 975 . 11 1 1 A 94 94 TYR CB C 94 40.027 41.756 -1.729 1
1 986 . 11 1 1 A 94 94 TYR C C 94 175.281 174.260 1.021 1
1 987 . 11 1 1 A 95 95 LEU N N 95 126.428 123.895 2.533 1
1 988 . 11 1 1 A 95 95 LEU H H 95 8.807 8.782 0.025 1
1 989 . 11 1 1 A 95 95 LEU CA C 95 54.200 53.699 0.501 1
1 990 . 11 1 1 A 95 95 LEU HA H 95 4.981 5.167 -0.186 1
1 991 . 11 1 1 A 95 95 LEU CB C 95 41.894 44.762 -2.868 1
1 1004 . 11 1 1 A 95 95 LEU C C 95 176.295 174.591 1.704 1
1 1005 . 11 1 1 A 96 96 VAL N N 96 130.944 127.144 3.800 1
1 1006 . 11 1 1 A 96 96 VAL H H 96 9.629 8.973 0.656 1
1 1007 . 11 1 1 A 96 96 VAL CA C 96 59.813 59.236 0.577 1
1 1008 . 11 1 1 A 96 96 VAL HA H 96 4.469 4.640 -0.171 1
1 1009 . 11 1 1 A 96 96 VAL CB C 96 35.052 33.697 1.355 1
1 1019 . 11 1 1 A 96 96 VAL C C 96 173.734 174.493 -0.759 1
1 1020 . 11 1 1 A 97 97 PRO CA C 97 62.379 62.451 -0.072 1
1 1021 . 11 1 1 A 97 97 PRO HA H 97 5.016 4.849 0.167 1
1 1022 . 11 1 1 A 97 97 PRO CB C 97 32.163 31.745 0.418 1
1 1031 . 11 1 1 A 97 97 PRO C C 97 175.950 176.021 -0.071 1
1 1032 . 11 1 1 A 98 98 VAL N N 98 125.524 124.334 1.190 1
1 1033 . 11 1 1 A 98 98 VAL H H 98 9.196 8.864 0.332 1
1 1034 . 11 1 1 A 98 98 VAL CA C 98 61.345 62.135 -0.790 1
1 1035 . 11 1 1 A 98 98 VAL HA H 98 4.411 4.460 -0.049 1
1 1036 . 11 1 1 A 98 98 VAL CB C 98 32.037 32.474 -0.437 1
1 1046 . 11 1 1 A 98 98 VAL C C 98 176.996 176.144 0.852 1
1 1047 . 11 1 1 A 99 99 ILE N N 99 124.035 122.789 1.246 1
1 1048 . 11 1 1 A 99 99 ILE H H 99 8.392 8.612 -0.220 1
1 1049 . 11 1 1 A 99 99 ILE CA C 99 59.802 58.644 1.158 1
1 1050 . 11 1 1 A 99 99 ILE HA H 99 4.651 4.946 -0.295 1
1 1051 . 11 1 1 A 99 99 ILE CB C 99 40.609 41.597 -0.988 1
1 1064 . 11 1 1 A 99 99 ILE C C 99 175.482 174.713 0.769 1
1 1065 . 11 1 1 A 100 100 ALA N N 100 125.837 125.273 0.564 1
1 1066 . 11 1 1 A 100 100 ALA H H 100 8.714 8.550 0.164 1
1 1067 . 11 1 1 A 100 100 ALA CA C 100 50.416 50.165 0.251 1
1 1068 . 11 1 1 A 100 100 ALA HA H 100 4.603 4.483 0.120 1
1 1069 . 11 1 1 A 100 100 ALA CB C 100 18.088 19.705 -1.617 1
1 1073 . 11 1 1 A 100 100 ALA C C 100 175.264 176.304 -1.040 1
1 1074 . 11 1 1 A 101 101 PRO CA C 101 63.104 62.814 0.290 1
1 1075 . 11 1 1 A 101 101 PRO HA H 101 4.483 4.679 -0.196 1
1 1076 . 11 1 1 A 101 101 PRO CB C 101 32.222 31.822 0.400 1
1 1085 . 11 1 1 A 101 101 PRO C C 101 176.976 175.875 1.101 1
1 1086 . 11 1 1 A 102 102 SER N N 102 116.530 118.164 -1.634 1
1 1087 . 11 1 1 A 102 102 SER H H 102 8.527 8.543 -0.016 1
1 1088 . 11 1 1 A 102 102 SER CA C 102 58.283 57.164 1.119 1
1 1089 . 11 1 1 A 102 102 SER HA H 102 4.433 4.922 -0.489 1
1 1090 . 11 1 1 A 102 102 SER CB C 102 64.078 64.524 -0.446 1
1 1093 . 11 1 1 A 102 102 SER C C 102 174.510 172.979 1.531 1
1 1094 . 11 1 1 A 103 103 ASP N N 103 123.018 126.786 -3.768 1
1 1095 . 11 1 1 A 103 103 ASP H H 103 8.450 8.846 -0.396 1
1 1096 . 11 1 1 A 103 103 ASP CA C 103 54.431 53.069 1.362 1
1 1097 . 11 1 1 A 103 103 ASP HA H 103 4.654 5.174 -0.520 1
1 1098 . 11 1 1 A 103 103 ASP CB C 103 41.226 42.836 -1.610 1
1 1101 . 11 1 1 A 103 103 ASP C C 103 175.889 176.329 -0.440 1
1 1102 . 11 1 1 A 104 104 ASP N N 104 120.896 123.707 -2.811 1
1 1103 . 11 1 1 A 104 104 ASP H H 104 8.264 9.096 -0.832 1
1 1104 . 11 1 1 A 104 104 ASP CA C 104 54.283 57.020 -2.737 1
1 1105 . 11 1 1 A 104 104 ASP HA H 104 4.601 4.481 0.120 1
1 1106 . 11 1 1 A 104 104 ASP CB C 104 41.183 39.948 1.235 1
1 1109 . 11 1 1 A 104 104 ASP C C 104 175.065 178.342 -3.277 1
1 1 . 12 1 1 A 7 7 GLY N N 7 110.767 109.902 0.865 1
1 2 . 12 1 1 A 7 7 GLY H H 7 8.421 8.391 0.030 1
1 3 . 12 1 1 A 7 7 GLY CA C 7 45.393 46.002 -0.609 1
1 4 . 12 1 1 A 7 7 GLY HA2 H 7 4.003 4.182 -0.179 1
1 5 . 12 1 1 A 7 7 GLY HA3 H 7 4.003 4.188 -0.185 1
1 6 . 12 1 1 A 7 7 GLY C C 7 174.160 172.667 1.493 1
1 7 . 12 1 1 A 8 8 GLU N N 8 120.419 120.540 -0.121 1
1 8 . 12 1 1 A 8 8 GLU H H 8 8.320 8.700 -0.380 1
1 9 . 12 1 1 A 8 8 GLU CA C 8 56.499 56.075 0.424 1
1 10 . 12 1 1 A 8 8 GLU HA H 8 4.390 4.805 -0.415 1
1 11 . 12 1 1 A 8 8 GLU CB C 8 30.615 30.438 0.177 1
1 17 . 12 1 1 A 8 8 GLU C C 8 176.858 176.034 0.824 1
1 18 . 12 1 1 A 9 9 GLY N N 9 109.731 108.683 1.048 1
1 19 . 12 1 1 A 9 9 GLY H H 9 8.522 8.592 -0.070 1
1 20 . 12 1 1 A 9 9 GLY CA C 9 45.110 44.595 0.515 1
1 21 . 12 1 1 A 9 9 GLY HA2 H 9 4.090 4.201 -0.111 1
1 22 . 12 1 1 A 9 9 GLY HA3 H 9 3.931 4.231 -0.300 1
1 23 . 12 1 1 A 9 9 GLY C C 9 173.933 172.644 1.289 1
1 24 . 12 1 1 A 10 10 GLY N N 10 107.139 107.768 -0.629 1
1 25 . 12 1 1 A 10 10 GLY H H 10 8.393 8.331 0.062 1
1 26 . 12 1 1 A 10 10 GLY CA C 10 45.039 46.302 -1.263 1
1 27 . 12 1 1 A 10 10 GLY HA2 H 10 3.868 4.429 -0.561 1
1 28 . 12 1 1 A 10 10 GLY HA3 H 10 4.528 4.472 0.056 1
1 29 . 12 1 1 A 10 10 GLY C C 10 174.561 173.858 0.703 1
1 30 . 12 1 1 A 11 11 ALA N N 11 122.466 124.058 -1.592 1
1 31 . 12 1 1 A 11 11 ALA H H 11 8.875 8.783 0.092 1
1 32 . 12 1 1 A 11 11 ALA CA C 11 55.391 54.961 0.430 1
1 33 . 12 1 1 A 11 11 ALA HA H 11 3.803 3.792 0.011 1
1 34 . 12 1 1 A 11 11 ALA CB C 11 19.583 18.855 0.728 1
1 38 . 12 1 1 A 11 11 ALA C C 11 178.242 179.979 -1.737 1
1 39 . 12 1 1 A 12 12 HIS N N 12 111.513 115.333 -3.820 1
1 40 . 12 1 1 A 12 12 HIS H H 12 8.290 8.582 -0.292 1
1 41 . 12 1 1 A 12 12 HIS CA C 12 57.847 58.963 -1.116 1
1 42 . 12 1 1 A 12 12 HIS HA H 12 4.443 4.385 0.058 1
1 43 . 12 1 1 A 12 12 HIS CB C 12 29.321 28.769 0.552 1
1 50 . 12 1 1 A 12 12 HIS C C 12 176.189 176.071 0.118 1
1 51 . 12 1 1 A 13 13 LYS N N 13 118.111 117.971 0.140 1
1 52 . 12 1 1 A 13 13 LYS H H 13 7.558 7.197 0.361 1
1 53 . 12 1 1 A 13 13 LYS CA C 13 54.660 55.503 -0.843 1
1 54 . 12 1 1 A 13 13 LYS HA H 13 4.202 4.082 0.120 1
1 55 . 12 1 1 A 13 13 LYS CB C 13 32.655 31.375 1.280 1
1 67 . 12 1 1 A 13 13 LYS C C 13 176.721 174.655 2.066 1
1 68 . 12 1 1 A 14 14 VAL N N 14 123.625 119.446 4.179 1
1 69 . 12 1 1 A 14 14 VAL H H 14 7.499 7.168 0.331 1
1 70 . 12 1 1 A 14 14 VAL CA C 14 63.247 61.213 2.034 1
1 71 . 12 1 1 A 14 14 VAL HA H 14 3.907 4.614 -0.707 1
1 72 . 12 1 1 A 14 14 VAL CB C 14 31.649 34.439 -2.790 1
1 82 . 12 1 1 A 15 15 ARG H H 15 8.106 9.202 -1.096 1
1 83 . 12 1 1 A 15 15 ARG CA C 15 53.791 54.370 -0.579 1
1 84 . 12 1 1 A 15 15 ARG HA H 15 5.021 5.520 -0.499 1
1 85 . 12 1 1 A 15 15 ARG CB C 15 34.207 32.731 1.476 1
1 94 . 12 1 1 A 16 16 ALA N N 16 123.795 126.750 -2.955 1
1 95 . 12 1 1 A 16 16 ALA H H 16 8.875 8.683 0.192 1
1 96 . 12 1 1 A 16 16 ALA CA C 16 51.092 50.965 0.127 1
1 97 . 12 1 1 A 16 16 ALA HA H 16 5.569 5.216 0.353 1
1 98 . 12 1 1 A 16 16 ALA CB C 16 23.845 21.660 2.185 1
1 102 . 12 1 1 A 17 17 GLY N N 17 106.516 110.405 -3.889 1
1 103 . 12 1 1 A 17 17 GLY H H 17 8.616 8.737 -0.121 1
1 104 . 12 1 1 A 17 17 GLY CA C 17 46.205 45.020 1.185 1
1 105 . 12 1 1 A 17 17 GLY HA2 H 17 4.289 4.346 -0.057 1
1 106 . 12 1 1 A 17 17 GLY HA3 H 17 4.226 4.396 -0.170 1
1 107 . 12 1 1 A 18 18 GLY N N 18 111.804 107.824 3.980 1
1 108 . 12 1 1 A 18 18 GLY H H 18 8.816 8.554 0.262 1
1 109 . 12 1 1 A 18 18 GLY CA C 18 44.595 44.743 -0.148 1
1 110 . 12 1 1 A 18 18 GLY HA2 H 18 4.105 4.286 -0.181 1
1 111 . 12 1 1 A 18 18 GLY HA3 H 18 4.105 4.290 -0.185 1
1 112 . 12 1 1 A 19 19 PRO CA C 19 65.526 64.003 1.523 1
1 113 . 12 1 1 A 19 19 PRO HA H 19 4.335 4.438 -0.103 1
1 114 . 12 1 1 A 19 19 PRO CB C 19 31.790 31.817 -0.027 1
1 123 . 12 1 1 A 19 19 PRO C C 19 179.208 177.404 1.804 1
1 124 . 12 1 1 A 20 20 GLY N N 20 103.234 106.758 -3.524 1
1 125 . 12 1 1 A 20 20 GLY H H 20 9.282 8.401 0.881 1
1 126 . 12 1 1 A 20 20 GLY CA C 20 46.361 46.265 0.096 1
1 127 . 12 1 1 A 20 20 GLY HA2 H 20 3.214 3.956 -0.742 1
1 128 . 12 1 1 A 20 20 GLY HA3 H 20 4.184 4.021 0.163 1
1 129 . 12 1 1 A 20 20 GLY C C 20 172.711 175.788 -3.077 1
1 130 . 12 1 1 A 21 21 LEU N N 21 116.307 122.927 -6.620 1
1 131 . 12 1 1 A 21 21 LEU H H 21 7.559 7.816 -0.257 1
1 132 . 12 1 1 A 21 21 LEU CA C 21 53.980 57.798 -3.818 1
1 133 . 12 1 1 A 21 21 LEU HA H 21 4.166 3.971 0.195 1
1 134 . 12 1 1 A 21 21 LEU CB C 21 40.135 41.401 -1.266 1
1 147 . 12 1 1 A 21 21 LEU C C 21 175.859 178.852 -2.993 1
1 148 . 12 1 1 A 22 22 GLU N N 22 119.926 117.215 2.711 1
1 149 . 12 1 1 A 22 22 GLU H H 22 7.927 7.534 0.393 1
1 150 . 12 1 1 A 22 22 GLU CA C 22 57.490 59.982 -2.492 1
1 151 . 12 1 1 A 22 22 GLU HA H 22 4.511 4.014 0.497 1
1 152 . 12 1 1 A 22 22 GLU CB C 22 32.057 29.434 2.623 1
1 158 . 12 1 1 A 22 22 GLU C C 22 175.521 176.837 -1.316 1
1 159 . 12 1 1 A 23 23 ARG N N 23 116.789 117.413 -0.624 1
1 160 . 12 1 1 A 23 23 ARG H H 23 8.340 7.723 0.617 1
1 161 . 12 1 1 A 23 23 ARG CA C 23 56.464 54.577 1.887 1
1 162 . 12 1 1 A 23 23 ARG HA H 23 4.688 4.992 -0.304 1
1 163 . 12 1 1 A 23 23 ARG CB C 23 32.571 34.494 -1.923 1
1 174 . 12 1 1 A 23 23 ARG C C 23 173.992 175.175 -1.183 1
1 175 . 12 1 1 A 24 24 GLY N N 24 108.837 107.964 0.873 1
1 176 . 12 1 1 A 24 24 GLY H H 24 8.736 8.001 0.735 1
1 177 . 12 1 1 A 24 24 GLY CA C 24 43.943 45.148 -1.205 1
1 178 . 12 1 1 A 24 24 GLY HA2 H 24 3.510 4.514 -1.004 1
1 179 . 12 1 1 A 24 24 GLY HA3 H 24 4.679 4.563 0.116 1
1 180 . 12 1 1 A 24 24 GLY C C 24 171.930 172.332 -0.402 1
1 181 . 12 1 1 A 25 25 GLU N N 25 122.126 120.744 1.382 1
1 182 . 12 1 1 A 25 25 GLU H H 25 9.429 8.618 0.811 1
1 183 . 12 1 1 A 25 25 GLU CA C 25 54.209 54.707 -0.498 1
1 184 . 12 1 1 A 25 25 GLU HA H 25 5.049 5.349 -0.300 1
1 185 . 12 1 1 A 25 25 GLU CB C 25 32.945 33.548 -0.603 1
1 191 . 12 1 1 A 25 25 GLU C C 25 175.853 175.590 0.263 1
1 192 . 12 1 1 A 26 26 ALA N N 26 128.654 126.640 2.014 1
1 193 . 12 1 1 A 26 26 ALA H H 26 8.518 8.530 -0.012 1
1 194 . 12 1 1 A 26 26 ALA CA C 26 53.187 53.959 -0.772 1
1 195 . 12 1 1 A 26 26 ALA HA H 26 3.855 4.280 -0.425 1
1 196 . 12 1 1 A 26 26 ALA CB C 26 17.420 18.454 -1.034 1
1 200 . 12 1 1 A 26 26 ALA C C 26 177.837 178.676 -0.839 1
1 201 . 12 1 1 A 27 27 GLY N N 27 108.210 110.625 -2.415 1
1 202 . 12 1 1 A 27 27 GLY H H 27 8.583 8.681 -0.098 1
1 203 . 12 1 1 A 27 27 GLY CA C 27 45.619 45.985 -0.366 1
1 204 . 12 1 1 A 27 27 GLY HA2 H 27 3.364 3.840 -0.476 1
1 205 . 12 1 1 A 27 27 GLY HA3 H 27 4.158 3.846 0.312 1
1 206 . 12 1 1 A 27 27 GLY C C 27 173.084 173.808 -0.724 1
1 207 . 12 1 1 A 28 28 VAL N N 28 122.974 120.540 2.434 1
1 208 . 12 1 1 A 28 28 VAL H H 28 7.878 7.353 0.525 1
1 209 . 12 1 1 A 28 28 VAL CA C 28 59.182 58.806 0.376 1
1 210 . 12 1 1 A 28 28 VAL HA H 28 4.510 4.425 0.085 1
1 211 . 12 1 1 A 28 28 VAL CB C 28 34.549 34.835 -0.286 1
1 221 . 12 1 1 A 28 28 VAL C C 28 174.171 174.214 -0.043 1
1 222 . 12 1 1 A 29 29 PRO CA C 29 64.354 62.228 2.126 1
1 223 . 12 1 1 A 29 29 PRO HA H 29 4.064 4.717 -0.653 1
1 224 . 12 1 1 A 29 29 PRO CB C 29 31.464 31.443 0.021 1
1 233 . 12 1 1 A 29 29 PRO C C 29 174.718 175.828 -1.110 1
1 234 . 12 1 1 A 30 30 ALA N N 30 131.821 126.764 5.057 1
1 235 . 12 1 1 A 30 30 ALA H H 30 8.990 7.935 1.055 1
1 236 . 12 1 1 A 30 30 ALA CA C 30 50.482 50.786 -0.304 1
1 237 . 12 1 1 A 30 30 ALA HA H 30 4.558 4.556 0.002 1
1 238 . 12 1 1 A 30 30 ALA CB C 30 18.793 19.726 -0.933 1
1 242 . 12 1 1 A 30 30 ALA C C 30 176.319 176.296 0.023 1
1 243 . 12 1 1 A 31 31 GLU N N 31 119.523 123.941 -4.418 1
1 244 . 12 1 1 A 31 31 GLU H H 31 8.273 8.737 -0.464 1
1 245 . 12 1 1 A 31 31 GLU CA C 31 55.261 55.433 -0.172 1
1 246 . 12 1 1 A 31 31 GLU HA H 31 5.290 4.955 0.335 1
1 247 . 12 1 1 A 31 31 GLU CB C 31 33.484 31.793 1.691 1
1 253 . 12 1 1 A 31 31 GLU C C 31 176.617 175.956 0.661 1
1 254 . 12 1 1 A 32 32 PHE N N 32 115.139 118.838 -3.699 1
1 255 . 12 1 1 A 32 32 PHE H H 32 8.905 8.277 0.628 1
1 256 . 12 1 1 A 32 32 PHE CA C 32 57.490 56.540 0.950 1
1 257 . 12 1 1 A 32 32 PHE HA H 32 5.031 5.057 -0.026 1
1 258 . 12 1 1 A 32 32 PHE CB C 32 39.989 41.399 -1.410 1
1 271 . 12 1 1 A 32 32 PHE C C 32 172.714 172.161 0.553 1
1 272 . 12 1 1 A 33 33 SER CA C 33 57.324 56.477 0.847 1
1 273 . 12 1 1 A 33 33 SER HA H 33 5.404 4.919 0.485 1
1 274 . 12 1 1 A 33 33 SER CB C 33 66.623 64.592 2.031 1
1 277 . 12 1 1 A 34 34 ILE N N 34 127.688 122.787 4.901 1
1 278 . 12 1 1 A 34 34 ILE H H 34 9.577 8.564 1.013 1
1 279 . 12 1 1 A 34 34 ILE CA C 34 60.614 60.249 0.365 1
1 280 . 12 1 1 A 34 34 ILE HA H 34 4.668 4.753 -0.085 1
1 281 . 12 1 1 A 34 34 ILE CB C 34 41.681 40.646 1.035 1
1 294 . 12 1 1 A 35 35 TRP CA C 35 58.440 56.495 1.945 1
1 295 . 12 1 1 A 35 35 TRP HA H 35 5.262 5.183 0.079 1
1 296 . 12 1 1 A 35 35 TRP CB C 35 30.511 30.644 -0.133 1
1 311 . 12 1 1 A 36 36 THR N N 36 114.021 114.378 -0.357 1
1 312 . 12 1 1 A 36 36 THR H H 36 8.680 8.546 0.134 1
1 313 . 12 1 1 A 36 36 THR CA C 36 61.459 60.422 1.037 1
1 314 . 12 1 1 A 36 36 THR HA H 36 4.364 4.824 -0.460 1
1 315 . 12 1 1 A 36 36 THR CB C 36 69.197 68.713 0.484 1
1 321 . 12 1 1 A 37 37 ARG CA C 37 56.501 60.048 -3.547 1
1 322 . 12 1 1 A 37 37 ARG HA H 37 4.207 4.021 0.186 1
1 323 . 12 1 1 A 37 37 ARG CB C 37 30.884 30.048 0.836 1
1 332 . 12 1 1 A 37 37 ARG C C 37 173.005 177.249 -4.244 1
1 333 . 12 1 1 A 38 38 GLU H H 38 8.371 7.651 0.720 1
1 334 . 12 1 1 A 38 38 GLU CA C 38 56.895 55.769 1.126 1
1 335 . 12 1 1 A 38 38 GLU HA H 38 4.270 4.491 -0.221 1
1 336 . 12 1 1 A 38 38 GLU CB C 38 30.001 29.019 0.982 1
1 342 . 12 1 1 A 39 39 ALA N N 39 121.133 127.515 -6.382 1
1 343 . 12 1 1 A 39 39 ALA H H 39 7.665 7.960 -0.295 1
1 344 . 12 1 1 A 39 39 ALA CA C 39 52.963 51.950 1.013 1
1 345 . 12 1 1 A 39 39 ALA HA H 39 3.964 4.808 -0.844 1
1 346 . 12 1 1 A 39 39 ALA CB C 39 21.097 22.711 -1.614 1
1 350 . 12 1 1 A 39 39 ALA C C 39 177.871 176.778 1.093 1
1 351 . 12 1 1 A 40 40 GLY N N 40 105.600 110.617 -5.017 1
1 352 . 12 1 1 A 40 40 GLY H H 40 7.654 9.068 -1.414 1
1 353 . 12 1 1 A 40 40 GLY CA C 40 44.261 46.782 -2.521 1
1 354 . 12 1 1 A 40 40 GLY HA2 H 40 3.766 3.917 -0.151 1
1 355 . 12 1 1 A 40 40 GLY HA3 H 40 4.196 3.918 0.278 1
1 356 . 12 1 1 A 40 40 GLY C C 40 172.824 173.944 -1.120 1
1 357 . 12 1 1 A 41 41 ALA N N 41 122.720 122.793 -0.073 1
1 358 . 12 1 1 A 41 41 ALA H H 41 8.364 7.816 0.548 1
1 359 . 12 1 1 A 41 41 ALA CA C 41 52.502 51.752 0.750 1
1 360 . 12 1 1 A 41 41 ALA HA H 41 4.396 4.823 -0.427 1
1 361 . 12 1 1 A 41 41 ALA CB C 41 19.295 22.718 -3.423 1
1 365 . 12 1 1 A 41 41 ALA C C 41 178.393 175.112 3.281 1
1 366 . 12 1 1 A 42 42 GLY N N 42 109.713 106.015 3.698 1
1 367 . 12 1 1 A 42 42 GLY H H 42 8.194 8.523 -0.329 1
1 368 . 12 1 1 A 42 42 GLY CA C 42 45.853 44.696 1.157 1
1 369 . 12 1 1 A 42 42 GLY HA2 H 42 3.616 4.211 -0.595 1
1 370 . 12 1 1 A 42 42 GLY HA3 H 42 3.761 4.231 -0.470 1
1 371 . 12 1 1 A 42 42 GLY C C 42 172.178 172.662 -0.484 1
1 372 . 12 1 1 A 43 43 GLY N N 43 105.505 110.004 -4.499 1
1 373 . 12 1 1 A 43 43 GLY H H 43 7.422 8.211 -0.789 1
1 374 . 12 1 1 A 43 43 GLY CA C 43 44.382 45.711 -1.329 1
1 375 . 12 1 1 A 43 43 GLY HA2 H 43 3.420 3.818 -0.398 1
1 376 . 12 1 1 A 43 43 GLY HA3 H 43 4.295 3.998 0.297 1
1 377 . 12 1 1 A 43 43 GLY C C 43 172.885 171.630 1.255 1
1 378 . 12 1 1 A 44 44 LEU N N 44 125.007 125.961 -0.954 1
1 379 . 12 1 1 A 44 44 LEU H H 44 8.525 8.499 0.026 1
1 380 . 12 1 1 A 44 44 LEU CA C 44 53.589 53.333 0.256 1
1 381 . 12 1 1 A 44 44 LEU HA H 44 5.357 5.327 0.030 1
1 382 . 12 1 1 A 44 44 LEU CB C 44 45.602 47.143 -1.541 1
1 395 . 12 1 1 A 44 44 LEU C C 44 177.034 175.110 1.924 1
1 396 . 12 1 1 A 45 45 SER N N 45 117.626 115.773 1.853 1
1 397 . 12 1 1 A 45 45 SER H H 45 9.010 8.461 0.549 1
1 398 . 12 1 1 A 45 45 SER CA C 45 57.065 57.171 -0.106 1
1 399 . 12 1 1 A 45 45 SER HA H 45 4.660 4.929 -0.269 1
1 400 . 12 1 1 A 45 45 SER CB C 45 65.309 65.594 -0.285 1
1 403 . 12 1 1 A 45 45 SER C C 45 172.724 172.446 0.278 1
1 404 . 12 1 1 A 46 46 ILE N N 46 125.604 123.636 1.968 1
1 405 . 12 1 1 A 46 46 ILE H H 46 8.584 8.498 0.086 1
1 406 . 12 1 1 A 46 46 ILE CA C 46 59.369 60.125 -0.756 1
1 407 . 12 1 1 A 46 46 ILE HA H 46 5.182 4.888 0.294 1
1 408 . 12 1 1 A 46 46 ILE CB C 46 40.879 42.384 -1.505 1
1 421 . 12 1 1 A 46 46 ILE C C 46 174.318 174.780 -0.462 1
1 422 . 12 1 1 A 47 47 ALA N N 47 128.948 127.321 1.627 1
1 423 . 12 1 1 A 47 47 ALA H H 47 8.762 8.357 0.405 1
1 424 . 12 1 1 A 47 47 ALA CA C 47 51.123 51.633 -0.510 1
1 425 . 12 1 1 A 47 47 ALA HA H 47 4.724 5.071 -0.347 1
1 426 . 12 1 1 A 47 47 ALA CB C 47 22.575 21.090 1.485 1
1 430 . 12 1 1 A 47 47 ALA C C 47 175.131 175.588 -0.457 1
1 431 . 12 1 1 A 48 48 VAL N N 48 121.512 123.715 -2.203 1
1 432 . 12 1 1 A 48 48 VAL H H 48 8.640 9.036 -0.396 1
1 433 . 12 1 1 A 48 48 VAL CA C 48 61.770 61.939 -0.169 1
1 434 . 12 1 1 A 48 48 VAL HA H 48 4.749 4.603 0.146 1
1 435 . 12 1 1 A 48 48 VAL CB C 48 33.642 31.986 1.656 1
1 445 . 12 1 1 A 48 48 VAL C C 48 174.870 175.827 -0.957 1
1 446 . 12 1 1 A 49 49 GLU N N 49 126.757 125.735 1.022 1
1 447 . 12 1 1 A 49 49 GLU H H 49 8.898 8.480 0.418 1
1 448 . 12 1 1 A 49 49 GLU CA C 49 54.457 54.869 -0.412 1
1 449 . 12 1 1 A 49 49 GLU HA H 49 5.003 5.305 -0.302 1
1 450 . 12 1 1 A 49 49 GLU CB C 49 33.209 33.468 -0.259 1
1 456 . 12 1 1 A 49 49 GLU C C 49 175.282 176.123 -0.841 1
1 457 . 12 1 1 A 50 50 GLY N N 50 112.668 109.522 3.146 1
1 458 . 12 1 1 A 50 50 GLY H H 50 8.563 8.279 0.284 1
1 459 . 12 1 1 A 50 50 GLY CA C 50 45.534 45.181 0.353 1
1 460 . 12 1 1 A 50 50 GLY HA2 H 50 3.481 3.584 -0.103 1
1 461 . 12 1 1 A 50 50 GLY HA3 H 50 3.836 3.999 -0.163 1
1 462 . 12 1 1 A 50 50 GLY C C 50 171.670 174.095 -2.425 1
1 463 . 12 1 1 A 51 51 PRO CA C 51 64.371 63.901 0.470 1
1 464 . 12 1 1 A 51 51 PRO HA H 51 4.309 4.404 -0.095 1
1 465 . 12 1 1 A 51 51 PRO CB C 51 32.183 31.829 0.354 1
1 474 . 12 1 1 A 51 51 PRO C C 51 175.938 175.803 0.135 1
1 475 . 12 1 1 A 52 52 SER N N 52 109.776 111.698 -1.922 1
1 476 . 12 1 1 A 52 52 SER H H 52 7.281 7.330 -0.049 1
1 477 . 12 1 1 A 52 52 SER CA C 52 56.747 56.387 0.360 1
1 478 . 12 1 1 A 52 52 SER HA H 52 4.688 4.705 -0.017 1
1 479 . 12 1 1 A 52 52 SER CB C 52 65.901 65.724 0.177 1
1 482 . 12 1 1 A 52 52 SER C C 52 172.748 172.398 0.350 1
1 483 . 12 1 1 A 53 53 LYS N N 53 121.441 123.930 -2.489 1
1 484 . 12 1 1 A 53 53 LYS H H 53 8.607 8.438 0.169 1
1 485 . 12 1 1 A 53 53 LYS CA C 53 56.641 56.256 0.385 1
1 486 . 12 1 1 A 53 53 LYS HA H 53 4.391 4.523 -0.132 1
1 487 . 12 1 1 A 53 53 LYS CB C 53 32.323 33.420 -1.097 1
1 499 . 12 1 1 A 53 53 LYS C C 53 175.721 175.593 0.128 1
1 500 . 12 1 1 A 54 54 ALA N N 54 129.914 127.985 1.929 1
1 501 . 12 1 1 A 54 54 ALA H H 54 8.941 8.497 0.444 1
1 502 . 12 1 1 A 54 54 ALA CA C 54 50.924 50.729 0.195 1
1 503 . 12 1 1 A 54 54 ALA HA H 54 4.962 5.602 -0.640 1
1 504 . 12 1 1 A 54 54 ALA CB C 54 20.004 22.740 -2.736 1
1 508 . 12 1 1 A 54 54 ALA C C 54 176.618 175.683 0.935 1
1 509 . 12 1 1 A 55 55 GLU N N 55 122.179 123.571 -1.392 1
1 510 . 12 1 1 A 55 55 GLU H H 55 8.153 8.935 -0.782 1
1 511 . 12 1 1 A 55 55 GLU CA C 55 55.689 56.579 -0.890 1
1 512 . 12 1 1 A 55 55 GLU HA H 55 4.569 4.479 0.090 1
1 513 . 12 1 1 A 55 55 GLU CB C 55 31.003 30.546 0.457 1
1 519 . 12 1 1 A 55 55 GLU C C 55 176.867 175.533 1.334 1
1 520 . 12 1 1 A 56 56 ILE N N 56 127.733 126.359 1.374 1
1 521 . 12 1 1 A 56 56 ILE H H 56 8.948 8.665 0.283 1
1 522 . 12 1 1 A 56 56 ILE CA C 56 61.345 60.408 0.937 1
1 523 . 12 1 1 A 56 56 ILE HA H 56 4.744 5.055 -0.311 1
1 524 . 12 1 1 A 56 56 ILE CB C 56 40.978 41.387 -0.409 1
1 537 . 12 1 1 A 56 56 ILE C C 56 175.675 174.901 0.774 1
1 538 . 12 1 1 A 57 57 THR N N 57 124.172 123.932 0.240 1
1 539 . 12 1 1 A 57 57 THR H H 57 9.410 8.711 0.699 1
1 540 . 12 1 1 A 57 57 THR CA C 57 61.999 61.796 0.203 1
1 541 . 12 1 1 A 57 57 THR HA H 57 4.504 4.766 -0.262 1
1 542 . 12 1 1 A 57 57 THR CB C 57 70.660 70.009 0.651 1
1 548 . 12 1 1 A 57 57 THR C C 57 172.131 172.650 -0.519 1
1 549 . 12 1 1 A 58 58 PHE N N 58 126.429 128.809 -2.380 1
1 550 . 12 1 1 A 58 58 PHE H H 58 8.796 9.091 -0.295 1
1 551 . 12 1 1 A 58 58 PHE CA C 58 56.680 55.839 0.841 1
1 552 . 12 1 1 A 58 58 PHE HA H 58 4.981 5.147 -0.166 1
1 553 . 12 1 1 A 58 58 PHE CB C 58 42.400 40.872 1.528 1
1 566 . 12 1 1 A 58 58 PHE C C 58 173.719 173.333 0.386 1
1 567 . 12 1 1 A 59 59 ASP N N 59 126.210 126.901 -0.691 1
1 568 . 12 1 1 A 59 59 ASP H H 59 8.707 8.747 -0.040 1
1 569 . 12 1 1 A 59 59 ASP CA C 59 52.784 52.758 0.026 1
1 570 . 12 1 1 A 59 59 ASP HA H 59 4.677 5.298 -0.621 1
1 571 . 12 1 1 A 59 59 ASP CB C 59 42.738 43.926 -1.188 1
1 574 . 12 1 1 A 59 59 ASP C C 59 173.710 173.641 0.069 1
1 575 . 12 1 1 A 60 60 ASP N N 60 123.675 124.759 -1.084 1
1 576 . 12 1 1 A 60 60 ASP H H 60 8.490 8.741 -0.251 1
1 577 . 12 1 1 A 60 60 ASP CA C 60 53.871 52.456 1.415 1
1 578 . 12 1 1 A 60 60 ASP HA H 60 4.447 4.936 -0.489 1
1 579 . 12 1 1 A 60 60 ASP CB C 60 41.108 41.928 -0.820 1
1 582 . 12 1 1 A 60 60 ASP C C 60 176.691 174.631 2.060 1
1 583 . 12 1 1 A 61 61 HIS N N 61 124.385 123.131 1.254 1
1 584 . 12 1 1 A 61 61 HIS H H 61 8.122 8.952 -0.830 1
1 585 . 12 1 1 A 61 61 HIS CA C 61 55.608 54.710 0.898 1
1 586 . 12 1 1 A 61 61 HIS HA H 61 4.769 5.075 -0.306 1
1 587 . 12 1 1 A 61 61 HIS CB C 61 28.607 32.403 -3.796 1
1 594 . 12 1 1 A 61 61 HIS C C 61 175.701 175.504 0.197 1
1 595 . 12 1 1 A 62 62 LYS N N 62 115.195 123.713 -8.518 1
1 596 . 12 1 1 A 62 62 LYS H H 62 9.178 9.162 0.016 1
1 597 . 12 1 1 A 62 62 LYS CA C 62 57.585 58.246 -0.661 1
1 598 . 12 1 1 A 62 62 LYS HA H 62 4.028 4.077 -0.049 1
1 599 . 12 1 1 A 62 62 LYS CB C 62 29.373 32.678 -3.305 1
1 611 . 12 1 1 A 63 63 ASN N N 63 116.167 115.785 0.382 1
1 612 . 12 1 1 A 63 63 ASN H H 63 7.900 7.793 0.107 1
1 613 . 12 1 1 A 63 63 ASN CA C 63 52.056 53.430 -1.374 1
1 614 . 12 1 1 A 63 63 ASN HA H 63 4.835 4.755 0.080 1
1 615 . 12 1 1 A 63 63 ASN CB C 63 38.468 38.850 -0.382 1
1 621 . 12 1 1 A 63 63 ASN C C 63 176.634 175.772 0.862 1
1 622 . 12 1 1 A 64 64 GLY N N 64 108.877 106.788 2.089 1
1 623 . 12 1 1 A 64 64 GLY H H 64 8.718 7.427 1.291 1
1 624 . 12 1 1 A 64 64 GLY CA C 64 45.534 45.615 -0.081 1
1 625 . 12 1 1 A 64 64 GLY HA2 H 64 3.619 4.099 -0.480 1
1 626 . 12 1 1 A 64 64 GLY HA3 H 64 4.247 4.104 0.143 1
1 627 . 12 1 1 A 65 65 SER N N 65 115.229 116.589 -1.360 1
1 628 . 12 1 1 A 65 65 SER H H 65 7.962 7.998 -0.036 1
1 629 . 12 1 1 A 65 65 SER CA C 65 57.108 59.413 -2.305 1
1 630 . 12 1 1 A 65 65 SER HA H 65 5.531 4.413 1.118 1
1 631 . 12 1 1 A 65 65 SER CB C 65 67.290 63.770 3.520 1
1 634 . 12 1 1 A 66 66 CYS N N 66 118.007 122.728 -4.721 1
1 635 . 12 1 1 A 66 66 CYS H H 66 8.807 8.854 -0.047 1
1 636 . 12 1 1 A 66 66 CYS CA C 66 56.476 61.058 -4.582 1
1 637 . 12 1 1 A 66 66 CYS HA H 66 4.672 4.346 0.326 1
1 638 . 12 1 1 A 66 66 CYS CB C 66 31.077 28.333 2.744 1
1 641 . 12 1 1 A 67 67 GLY N N 67 112.448 106.758 5.690 1
1 642 . 12 1 1 A 67 67 GLY H H 67 8.679 7.198 1.481 1
1 643 . 12 1 1 A 67 67 GLY CA C 67 45.004 44.094 0.910 1
1 644 . 12 1 1 A 67 67 GLY HA2 H 67 3.629 3.782 -0.153 1
1 645 . 12 1 1 A 67 67 GLY HA3 H 67 4.645 3.851 0.794 1
1 646 . 12 1 1 A 67 67 GLY C C 67 171.754 172.088 -0.334 1
1 647 . 12 1 1 A 68 68 VAL N N 68 123.840 120.649 3.191 1
1 648 . 12 1 1 A 68 68 VAL H H 68 8.486 7.869 0.617 1
1 649 . 12 1 1 A 68 68 VAL CA C 68 60.143 61.125 -0.982 1
1 650 . 12 1 1 A 68 68 VAL HA H 68 4.579 4.435 0.144 1
1 651 . 12 1 1 A 68 68 VAL CB C 68 33.946 32.264 1.682 1
1 661 . 12 1 1 A 68 68 VAL C C 68 174.396 174.720 -0.324 1
1 662 . 12 1 1 A 69 69 SER N N 69 119.414 123.083 -3.669 1
1 663 . 12 1 1 A 69 69 SER H H 69 8.450 8.364 0.086 1
1 664 . 12 1 1 A 69 69 SER CA C 69 56.169 55.777 0.392 1
1 665 . 12 1 1 A 69 69 SER HA H 69 5.442 5.432 0.010 1
1 666 . 12 1 1 A 69 69 SER CB C 69 65.640 66.472 -0.832 1
1 669 . 12 1 1 A 69 69 SER C C 69 173.189 172.165 1.024 1
1 670 . 12 1 1 A 70 70 TYR N N 70 119.504 118.900 0.604 1
1 671 . 12 1 1 A 70 70 TYR H H 70 8.771 8.691 0.080 1
1 672 . 12 1 1 A 70 70 TYR CA C 70 54.962 56.187 -1.225 1
1 673 . 12 1 1 A 70 70 TYR HA H 70 5.922 5.800 0.122 1
1 674 . 12 1 1 A 70 70 TYR CB C 70 42.710 41.634 1.076 1
1 685 . 12 1 1 A 70 70 TYR C C 70 173.056 173.060 -0.004 1
1 686 . 12 1 1 A 71 71 ILE N N 71 117.727 122.003 -4.276 1
1 687 . 12 1 1 A 71 71 ILE H H 71 8.196 8.412 -0.216 1
1 688 . 12 1 1 A 71 71 ILE CA C 71 60.132 60.181 -0.049 1
1 689 . 12 1 1 A 71 71 ILE HA H 71 4.161 4.716 -0.555 1
1 690 . 12 1 1 A 71 71 ILE CB C 71 40.790 42.026 -1.236 1
1 703 . 12 1 1 A 71 71 ILE C C 71 175.114 174.933 0.181 1
1 704 . 12 1 1 A 72 72 ALA N N 72 133.145 128.753 4.392 1
1 705 . 12 1 1 A 72 72 ALA H H 72 9.466 8.473 0.993 1
1 706 . 12 1 1 A 72 72 ALA CA C 72 50.261 50.492 -0.231 1
1 707 . 12 1 1 A 72 72 ALA HA H 72 4.567 4.615 -0.048 1
1 708 . 12 1 1 A 72 72 ALA CB C 72 19.699 19.640 0.059 1
1 712 . 12 1 1 A 72 72 ALA C C 72 177.170 177.740 -0.570 1
1 713 . 12 1 1 A 73 73 GLN N N 73 120.464 124.168 -3.704 1
1 714 . 12 1 1 A 73 73 GLN H H 73 8.649 8.638 0.011 1
1 715 . 12 1 1 A 73 73 GLN CA C 73 57.614 59.428 -1.814 1
1 716 . 12 1 1 A 73 73 GLN HA H 73 4.083 4.025 0.058 1
1 717 . 12 1 1 A 73 73 GLN CB C 73 29.667 28.637 1.030 1
1 726 . 12 1 1 A 73 73 GLN C C 73 175.643 176.674 -1.031 1
1 727 . 12 1 1 A 74 74 GLU N N 74 114.557 118.047 -3.490 1
1 728 . 12 1 1 A 74 74 GLU H H 74 7.102 8.253 -1.151 1
1 729 . 12 1 1 A 74 74 GLU CA C 74 52.242 53.082 -0.840 1
1 730 . 12 1 1 A 74 74 GLU HA H 74 4.988 4.732 0.256 1
1 731 . 12 1 1 A 74 74 GLU CB C 74 31.732 30.512 1.220 1
1 737 . 12 1 1 A 74 74 GLU C C 74 174.462 174.168 0.294 1
1 738 . 12 1 1 A 75 75 PRO CA C 75 63.007 63.411 -0.404 1
1 739 . 12 1 1 A 75 75 PRO HA H 75 4.335 4.644 -0.309 1
1 740 . 12 1 1 A 75 75 PRO CB C 75 32.866 33.395 -0.529 1
1 749 . 12 1 1 A 75 75 PRO C C 75 174.572 176.053 -1.481 1
1 750 . 12 1 1 A 76 76 GLY N N 76 107.234 107.140 0.094 1
1 751 . 12 1 1 A 76 76 GLY H H 76 9.012 8.503 0.509 1
1 752 . 12 1 1 A 76 76 GLY CA C 76 44.615 44.459 0.156 1
1 753 . 12 1 1 A 76 76 GLY HA2 H 76 3.850 4.174 -0.324 1
1 754 . 12 1 1 A 76 76 GLY HA3 H 76 4.201 4.209 -0.008 1
1 755 . 12 1 1 A 76 76 GLY C C 76 171.133 173.327 -2.194 1
1 756 . 12 1 1 A 77 77 ASN N N 77 119.292 117.121 2.171 1
1 757 . 12 1 1 A 77 77 ASN H H 77 8.549 8.452 0.097 1
1 758 . 12 1 1 A 77 77 ASN CA C 77 52.364 52.088 0.276 1
1 759 . 12 1 1 A 77 77 ASN HA H 77 5.369 5.250 0.119 1
1 760 . 12 1 1 A 77 77 ASN CB C 77 39.176 38.328 0.848 1
1 766 . 12 1 1 A 77 77 ASN C C 77 174.470 173.804 0.666 1
1 767 . 12 1 1 A 78 78 TYR N N 78 123.809 124.885 -1.076 1
1 768 . 12 1 1 A 78 78 TYR H H 78 9.094 8.830 0.264 1
1 769 . 12 1 1 A 78 78 TYR CA C 78 56.818 57.842 -1.024 1
1 770 . 12 1 1 A 78 78 TYR HA H 78 4.859 5.078 -0.219 1
1 771 . 12 1 1 A 78 78 TYR CB C 78 39.860 39.581 0.279 1
1 782 . 12 1 1 A 78 78 TYR C C 78 174.184 174.901 -0.717 1
1 783 . 12 1 1 A 79 79 GLU N N 79 122.250 125.794 -3.544 1
1 784 . 12 1 1 A 79 79 GLU H H 79 9.259 8.989 0.270 1
1 785 . 12 1 1 A 79 79 GLU CA C 79 54.692 55.513 -0.821 1
1 786 . 12 1 1 A 79 79 GLU HA H 79 5.313 4.974 0.339 1
1 787 . 12 1 1 A 79 79 GLU CB C 79 32.159 30.460 1.699 1
1 793 . 12 1 1 A 79 79 GLU C C 79 176.631 175.062 1.569 1
1 794 . 12 1 1 A 80 80 VAL N N 80 131.418 127.715 3.703 1
1 795 . 12 1 1 A 80 80 VAL H H 80 9.761 8.362 1.399 1
1 796 . 12 1 1 A 80 80 VAL CA C 80 61.522 62.597 -1.075 1
1 797 . 12 1 1 A 80 80 VAL HA H 80 4.801 4.704 0.097 1
1 798 . 12 1 1 A 80 80 VAL CB C 80 32.818 31.299 1.519 1
1 808 . 12 1 1 A 80 80 VAL C C 80 175.573 175.605 -0.032 1
1 809 . 12 1 1 A 81 81 SER N N 81 123.238 124.411 -1.173 1
1 810 . 12 1 1 A 81 81 SER H H 81 9.457 9.226 0.231 1
1 811 . 12 1 1 A 81 81 SER CA C 81 57.589 58.281 -0.692 1
1 812 . 12 1 1 A 81 81 SER HA H 81 5.167 4.959 0.208 1
1 813 . 12 1 1 A 81 81 SER CB C 81 64.882 63.825 1.057 1
1 816 . 12 1 1 A 81 81 SER C C 81 173.514 174.224 -0.710 1
1 817 . 12 1 1 A 82 82 ILE N N 82 126.261 127.850 -1.589 1
1 818 . 12 1 1 A 82 82 ILE H H 82 9.642 9.162 0.480 1
1 819 . 12 1 1 A 82 82 ILE CA C 82 60.992 59.705 1.287 1
1 820 . 12 1 1 A 82 82 ILE HA H 82 4.667 5.293 -0.626 1
1 821 . 12 1 1 A 82 82 ILE CB C 82 40.692 41.182 -0.490 1
1 834 . 12 1 1 A 82 82 ILE C C 82 173.498 175.134 -1.636 1
1 835 . 12 1 1 A 83 83 LYS N N 83 123.477 123.820 -0.343 1
1 836 . 12 1 1 A 83 83 LYS H H 83 8.720 8.551 0.169 1
1 837 . 12 1 1 A 83 83 LYS CA C 83 53.730 54.843 -1.113 1
1 838 . 12 1 1 A 83 83 LYS HA H 83 5.139 5.173 -0.034 1
1 839 . 12 1 1 A 83 83 LYS CB C 83 36.351 35.856 0.495 1
1 851 . 12 1 1 A 83 83 LYS C C 83 174.914 174.286 0.628 1
1 852 . 12 1 1 A 84 84 PHE N N 84 122.298 125.382 -3.084 1
1 853 . 12 1 1 A 84 84 PHE H H 84 9.154 9.296 -0.142 1
1 854 . 12 1 1 A 84 84 PHE CA C 84 56.057 57.775 -1.718 1
1 855 . 12 1 1 A 84 84 PHE HA H 84 5.238 5.181 0.057 1
1 856 . 12 1 1 A 84 84 PHE CB C 84 43.136 41.252 1.884 1
1 867 . 12 1 1 A 84 84 PHE C C 84 175.864 175.171 0.693 1
1 868 . 12 1 1 A 85 85 ASN N N 85 127.936 124.937 2.999 1
1 869 . 12 1 1 A 85 85 ASN H H 85 9.040 9.160 -0.120 1
1 870 . 12 1 1 A 85 85 ASN CA C 85 54.448 54.417 0.031 1
1 871 . 12 1 1 A 85 85 ASN HA H 85 4.206 4.183 0.023 1
1 872 . 12 1 1 A 85 85 ASN CB C 85 36.554 36.627 -0.073 1
1 878 . 12 1 1 A 85 85 ASN C C 85 174.620 174.097 0.523 1
1 879 . 12 1 1 A 86 86 ASP N N 86 108.763 110.027 -1.264 1
1 880 . 12 1 1 A 86 86 ASP H H 86 8.828 8.376 0.452 1
1 881 . 12 1 1 A 86 86 ASP CA C 86 56.405 55.581 0.824 1
1 882 . 12 1 1 A 86 86 ASP HA H 86 3.946 4.168 -0.222 1
1 883 . 12 1 1 A 86 86 ASP CB C 86 40.367 39.077 1.290 1
1 886 . 12 1 1 A 86 86 ASP C C 86 174.169 174.569 -0.400 1
1 887 . 12 1 1 A 87 87 GLU N N 87 119.289 117.212 2.077 1
1 888 . 12 1 1 A 87 87 GLU H H 87 7.510 7.584 -0.074 1
1 889 . 12 1 1 A 87 87 GLU CA C 87 54.483 54.796 -0.313 1
1 890 . 12 1 1 A 87 87 GLU HA H 87 4.743 4.879 -0.136 1
1 891 . 12 1 1 A 87 87 GLU CB C 87 32.763 33.698 -0.935 1
1 897 . 12 1 1 A 87 87 GLU C C 87 175.825 175.318 0.507 1
1 898 . 12 1 1 A 88 88 HIS N N 88 123.465 120.555 2.910 1
1 899 . 12 1 1 A 88 88 HIS H H 88 8.822 9.148 -0.326 1
1 900 . 12 1 1 A 88 88 HIS CA C 88 59.117 56.084 3.033 1
1 901 . 12 1 1 A 88 88 HIS HA H 88 4.511 4.888 -0.377 1
1 902 . 12 1 1 A 88 88 HIS CB C 88 32.254 30.775 1.479 1
1 909 . 12 1 1 A 88 88 HIS C C 88 177.352 175.662 1.690 1
1 910 . 12 1 1 A 89 89 ILE N N 89 117.945 121.793 -3.848 1
1 911 . 12 1 1 A 89 89 ILE H H 89 8.131 8.739 -0.608 1
1 912 . 12 1 1 A 89 89 ILE CA C 89 61.121 59.276 1.845 1
1 913 . 12 1 1 A 89 89 ILE HA H 89 4.519 4.637 -0.118 1
1 914 . 12 1 1 A 89 89 ILE CB C 89 35.538 37.887 -2.349 1
1 927 . 12 1 1 A 89 89 ILE C C 89 173.831 176.591 -2.760 1
1 928 . 12 1 1 A 90 90 PRO CA C 90 66.545 64.303 2.242 1
1 929 . 12 1 1 A 90 90 PRO HA H 90 4.223 4.530 -0.307 1
1 930 . 12 1 1 A 90 90 PRO CB C 90 31.693 31.520 0.173 1
1 939 . 12 1 1 A 90 90 PRO C C 90 177.046 176.403 0.643 1
1 940 . 12 1 1 A 91 91 GLU N N 91 113.835 117.005 -3.170 1
1 941 . 12 1 1 A 91 91 GLU H H 91 8.223 8.301 -0.078 1
1 942 . 12 1 1 A 91 91 GLU CA C 91 57.913 56.162 1.751 1
1 943 . 12 1 1 A 91 91 GLU HA H 91 3.733 4.374 -0.641 1
1 944 . 12 1 1 A 91 91 GLU CB C 91 27.681 31.311 -3.630 1
1 950 . 12 1 1 A 91 91 GLU C C 91 173.469 175.469 -2.000 1
1 951 . 12 1 1 A 92 92 SER N N 92 111.462 113.711 -2.249 1
1 952 . 12 1 1 A 92 92 SER H H 92 7.489 7.508 -0.019 1
1 953 . 12 1 1 A 92 92 SER CA C 92 54.873 55.478 -0.605 1
1 954 . 12 1 1 A 92 92 SER HA H 92 4.427 4.581 -0.154 1
1 955 . 12 1 1 A 92 92 SER CB C 92 63.317 64.999 -1.682 1
1 958 . 12 1 1 A 92 92 SER C C 92 174.195 172.405 1.790 1
1 959 . 12 1 1 A 93 93 PRO CA C 93 62.333 62.557 -0.224 1
1 960 . 12 1 1 A 93 93 PRO HA H 93 5.483 4.708 0.775 1
1 961 . 12 1 1 A 93 93 PRO CB C 93 34.386 32.372 2.014 1
1 970 . 12 1 1 A 93 93 PRO C C 93 176.059 174.985 1.074 1
1 971 . 12 1 1 A 94 94 TYR N N 94 122.179 119.439 2.740 1
1 972 . 12 1 1 A 94 94 TYR H H 94 9.372 9.091 0.281 1
1 973 . 12 1 1 A 94 94 TYR CA C 94 57.101 57.439 -0.338 1
1 974 . 12 1 1 A 94 94 TYR HA H 94 4.531 5.008 -0.477 1
1 975 . 12 1 1 A 94 94 TYR CB C 94 40.027 41.337 -1.310 1
1 986 . 12 1 1 A 94 94 TYR C C 94 175.281 174.525 0.756 1
1 987 . 12 1 1 A 95 95 LEU N N 95 126.428 124.020 2.408 1
1 988 . 12 1 1 A 95 95 LEU H H 95 8.807 8.698 0.109 1
1 989 . 12 1 1 A 95 95 LEU CA C 95 54.200 53.768 0.432 1
1 990 . 12 1 1 A 95 95 LEU HA H 95 4.981 5.111 -0.130 1
1 991 . 12 1 1 A 95 95 LEU CB C 95 41.894 44.241 -2.347 1
1 1004 . 12 1 1 A 95 95 LEU C C 95 176.295 174.502 1.793 1
1 1005 . 12 1 1 A 96 96 VAL N N 96 130.944 127.588 3.356 1
1 1006 . 12 1 1 A 96 96 VAL H H 96 9.629 8.787 0.842 1
1 1007 . 12 1 1 A 96 96 VAL CA C 96 59.813 59.456 0.357 1
1 1008 . 12 1 1 A 96 96 VAL HA H 96 4.469 4.608 -0.139 1
1 1009 . 12 1 1 A 96 96 VAL CB C 96 35.052 32.924 2.128 1
1 1019 . 12 1 1 A 96 96 VAL C C 96 173.734 174.669 -0.935 1
1 1020 . 12 1 1 A 97 97 PRO CA C 97 62.379 62.432 -0.053 1
1 1021 . 12 1 1 A 97 97 PRO HA H 97 5.016 4.810 0.206 1
1 1022 . 12 1 1 A 97 97 PRO CB C 97 32.163 31.091 1.072 1
1 1031 . 12 1 1 A 97 97 PRO C C 97 175.950 176.525 -0.575 1
1 1032 . 12 1 1 A 98 98 VAL N N 98 125.524 123.868 1.656 1
1 1033 . 12 1 1 A 98 98 VAL H H 98 9.196 8.843 0.353 1
1 1034 . 12 1 1 A 98 98 VAL CA C 98 61.345 62.959 -1.614 1
1 1035 . 12 1 1 A 98 98 VAL HA H 98 4.411 4.731 -0.320 1
1 1036 . 12 1 1 A 98 98 VAL CB C 98 32.037 32.045 -0.008 1
1 1046 . 12 1 1 A 98 98 VAL C C 98 176.996 176.125 0.871 1
1 1047 . 12 1 1 A 99 99 ILE N N 99 124.035 122.940 1.095 1
1 1048 . 12 1 1 A 99 99 ILE H H 99 8.392 9.296 -0.904 1
1 1049 . 12 1 1 A 99 99 ILE CA C 99 59.802 58.572 1.230 1
1 1050 . 12 1 1 A 99 99 ILE HA H 99 4.651 4.917 -0.266 1
1 1051 . 12 1 1 A 99 99 ILE CB C 99 40.609 41.579 -0.970 1
1 1064 . 12 1 1 A 99 99 ILE C C 99 175.482 174.711 0.771 1
1 1065 . 12 1 1 A 100 100 ALA N N 100 125.837 125.282 0.555 1
1 1066 . 12 1 1 A 100 100 ALA H H 100 8.714 8.548 0.166 1
1 1067 . 12 1 1 A 100 100 ALA CA C 100 50.416 50.168 0.248 1
1 1068 . 12 1 1 A 100 100 ALA HA H 100 4.603 4.480 0.123 1
1 1069 . 12 1 1 A 100 100 ALA CB C 100 18.088 19.699 -1.611 1
1 1073 . 12 1 1 A 100 100 ALA C C 100 175.264 176.307 -1.043 1
1 1074 . 12 1 1 A 101 101 PRO CA C 101 63.104 63.469 -0.365 1
1 1075 . 12 1 1 A 101 101 PRO HA H 101 4.483 4.487 -0.004 1
1 1076 . 12 1 1 A 101 101 PRO CB C 101 32.222 31.356 0.866 1
1 1085 . 12 1 1 A 101 101 PRO C C 101 176.976 177.418 -0.442 1
1 1086 . 12 1 1 A 102 102 SER N N 102 116.530 118.374 -1.844 1
1 1087 . 12 1 1 A 102 102 SER H H 102 8.527 8.919 -0.392 1
1 1088 . 12 1 1 A 102 102 SER CA C 102 58.283 59.312 -1.029 1
1 1089 . 12 1 1 A 102 102 SER HA H 102 4.433 4.030 0.403 1
1 1090 . 12 1 1 A 102 102 SER CB C 102 64.078 61.540 2.538 1
1 1093 . 12 1 1 A 102 102 SER C C 102 174.510 172.704 1.806 1
1 1094 . 12 1 1 A 103 103 ASP N N 103 123.018 119.872 3.146 1
1 1095 . 12 1 1 A 103 103 ASP H H 103 8.450 7.671 0.779 1
1 1096 . 12 1 1 A 103 103 ASP CA C 103 54.431 53.398 1.033 1
1 1097 . 12 1 1 A 103 103 ASP HA H 103 4.654 5.012 -0.358 1
1 1098 . 12 1 1 A 103 103 ASP CB C 103 41.226 42.165 -0.939 1
1 1101 . 12 1 1 A 103 103 ASP C C 103 175.889 174.427 1.462 1
1 1102 . 12 1 1 A 104 104 ASP N N 104 120.896 123.150 -2.254 1
1 1103 . 12 1 1 A 104 104 ASP H H 104 8.264 8.649 -0.385 1
1 1104 . 12 1 1 A 104 104 ASP CA C 104 54.283 53.133 1.150 1
1 1105 . 12 1 1 A 104 104 ASP HA H 104 4.601 5.184 -0.583 1
1 1106 . 12 1 1 A 104 104 ASP CB C 104 41.183 45.270 -4.087 1
1 1109 . 12 1 1 A 104 104 ASP C C 104 175.065 174.653 0.412 1
1 1 . 13 1 1 A 7 7 GLY N N 7 110.767 114.587 -3.820 1
1 2 . 13 1 1 A 7 7 GLY H H 7 8.421 8.753 -0.332 1
1 3 . 13 1 1 A 7 7 GLY CA C 7 45.393 44.640 0.753 1
1 4 . 13 1 1 A 7 7 GLY HA2 H 7 4.003 4.414 -0.411 1
1 5 . 13 1 1 A 7 7 GLY HA3 H 7 4.003 4.415 -0.412 1
1 6 . 13 1 1 A 7 7 GLY C C 7 174.160 171.921 2.239 1
1 7 . 13 1 1 A 8 8 GLU N N 8 120.419 124.099 -3.680 1
1 8 . 13 1 1 A 8 8 GLU H H 8 8.320 8.715 -0.395 1
1 9 . 13 1 1 A 8 8 GLU CA C 8 56.499 55.531 0.968 1
1 10 . 13 1 1 A 8 8 GLU HA H 8 4.390 4.923 -0.533 1
1 11 . 13 1 1 A 8 8 GLU CB C 8 30.615 30.737 -0.122 1
1 17 . 13 1 1 A 8 8 GLU C C 8 176.858 175.892 0.966 1
1 18 . 13 1 1 A 9 9 GLY N N 9 109.731 112.353 -2.622 1
1 19 . 13 1 1 A 9 9 GLY H H 9 8.522 8.778 -0.256 1
1 20 . 13 1 1 A 9 9 GLY CA C 9 45.110 44.907 0.203 1
1 21 . 13 1 1 A 9 9 GLY HA2 H 9 4.090 4.382 -0.292 1
1 22 . 13 1 1 A 9 9 GLY HA3 H 9 3.931 4.395 -0.464 1
1 23 . 13 1 1 A 9 9 GLY C C 9 173.933 173.346 0.587 1
1 24 . 13 1 1 A 10 10 GLY N N 10 107.139 108.788 -1.649 1
1 25 . 13 1 1 A 10 10 GLY H H 10 8.393 8.148 0.245 1
1 26 . 13 1 1 A 10 10 GLY CA C 10 45.039 46.327 -1.288 1
1 27 . 13 1 1 A 10 10 GLY HA2 H 10 3.868 4.370 -0.502 1
1 28 . 13 1 1 A 10 10 GLY HA3 H 10 4.528 4.446 0.082 1
1 29 . 13 1 1 A 10 10 GLY C C 10 174.561 173.824 0.737 1
1 30 . 13 1 1 A 11 11 ALA N N 11 122.466 125.669 -3.203 1
1 31 . 13 1 1 A 11 11 ALA H H 11 8.875 8.768 0.107 1
1 32 . 13 1 1 A 11 11 ALA CA C 11 55.391 54.983 0.408 1
1 33 . 13 1 1 A 11 11 ALA HA H 11 3.803 4.215 -0.412 1
1 34 . 13 1 1 A 11 11 ALA CB C 11 19.583 19.170 0.413 1
1 38 . 13 1 1 A 11 11 ALA C C 11 178.242 180.036 -1.794 1
1 39 . 13 1 1 A 12 12 HIS N N 12 111.513 115.418 -3.905 1
1 40 . 13 1 1 A 12 12 HIS H H 12 8.290 8.618 -0.328 1
1 41 . 13 1 1 A 12 12 HIS CA C 12 57.847 58.929 -1.082 1
1 42 . 13 1 1 A 12 12 HIS HA H 12 4.443 4.347 0.096 1
1 43 . 13 1 1 A 12 12 HIS CB C 12 29.321 28.735 0.586 1
1 50 . 13 1 1 A 12 12 HIS C C 12 176.189 177.603 -1.414 1
1 51 . 13 1 1 A 13 13 LYS N N 13 118.111 117.998 0.113 1
1 52 . 13 1 1 A 13 13 LYS H H 13 7.558 7.053 0.505 1
1 53 . 13 1 1 A 13 13 LYS CA C 13 54.660 58.358 -3.698 1
1 54 . 13 1 1 A 13 13 LYS HA H 13 4.202 4.082 0.120 1
1 55 . 13 1 1 A 13 13 LYS CB C 13 32.655 32.460 0.195 1
1 67 . 13 1 1 A 13 13 LYS C C 13 176.721 177.684 -0.963 1
1 68 . 13 1 1 A 14 14 VAL N N 14 123.625 119.659 3.966 1
1 69 . 13 1 1 A 14 14 VAL H H 14 7.499 7.450 0.049 1
1 70 . 13 1 1 A 14 14 VAL CA C 14 63.247 63.322 -0.075 1
1 71 . 13 1 1 A 14 14 VAL HA H 14 3.907 3.791 0.116 1
1 72 . 13 1 1 A 14 14 VAL CB C 14 31.649 31.880 -0.231 1
1 82 . 13 1 1 A 15 15 ARG H H 15 8.106 8.273 -0.167 1
1 83 . 13 1 1 A 15 15 ARG CA C 15 53.791 53.941 -0.150 1
1 84 . 13 1 1 A 15 15 ARG HA H 15 5.021 5.116 -0.095 1
1 85 . 13 1 1 A 15 15 ARG CB C 15 34.207 34.625 -0.418 1
1 94 . 13 1 1 A 16 16 ALA N N 16 123.795 122.092 1.703 1
1 95 . 13 1 1 A 16 16 ALA H H 16 8.875 8.825 0.050 1
1 96 . 13 1 1 A 16 16 ALA CA C 16 51.092 50.461 0.631 1
1 97 . 13 1 1 A 16 16 ALA HA H 16 5.569 5.193 0.376 1
1 98 . 13 1 1 A 16 16 ALA CB C 16 23.845 22.745 1.100 1
1 102 . 13 1 1 A 17 17 GLY N N 17 106.516 107.571 -1.055 1
1 103 . 13 1 1 A 17 17 GLY H H 17 8.616 8.609 0.007 1
1 104 . 13 1 1 A 17 17 GLY CA C 17 46.205 45.080 1.125 1
1 105 . 13 1 1 A 17 17 GLY HA2 H 17 4.289 4.271 0.018 1
1 106 . 13 1 1 A 17 17 GLY HA3 H 17 4.226 4.372 -0.146 1
1 107 . 13 1 1 A 18 18 GLY N N 18 111.804 108.728 3.076 1
1 108 . 13 1 1 A 18 18 GLY H H 18 8.816 8.587 0.229 1
1 109 . 13 1 1 A 18 18 GLY CA C 18 44.595 47.059 -2.464 1
1 110 . 13 1 1 A 18 18 GLY HA2 H 18 4.105 4.092 0.013 1
1 111 . 13 1 1 A 18 18 GLY HA3 H 18 4.105 4.101 0.004 1
1 112 . 13 1 1 A 19 19 PRO CA C 19 65.526 63.392 2.134 1
1 113 . 13 1 1 A 19 19 PRO HA H 19 4.335 4.402 -0.067 1
1 114 . 13 1 1 A 19 19 PRO CB C 19 31.790 32.581 -0.791 1
1 123 . 13 1 1 A 19 19 PRO C C 19 179.208 177.122 2.086 1
1 124 . 13 1 1 A 20 20 GLY N N 20 103.234 110.340 -7.106 1
1 125 . 13 1 1 A 20 20 GLY H H 20 9.282 8.848 0.434 1
1 126 . 13 1 1 A 20 20 GLY CA C 20 46.361 45.611 0.750 1
1 127 . 13 1 1 A 20 20 GLY HA2 H 20 3.214 3.955 -0.741 1
1 128 . 13 1 1 A 20 20 GLY HA3 H 20 4.184 3.994 0.190 1
1 129 . 13 1 1 A 20 20 GLY C C 20 172.711 175.054 -2.343 1
1 130 . 13 1 1 A 21 21 LEU N N 21 116.307 120.497 -4.190 1
1 131 . 13 1 1 A 21 21 LEU H H 21 7.559 8.057 -0.498 1
1 132 . 13 1 1 A 21 21 LEU CA C 21 53.980 54.969 -0.989 1
1 133 . 13 1 1 A 21 21 LEU HA H 21 4.166 4.355 -0.189 1
1 134 . 13 1 1 A 21 21 LEU CB C 21 40.135 42.285 -2.150 1
1 147 . 13 1 1 A 21 21 LEU C C 21 175.859 177.809 -1.950 1
1 148 . 13 1 1 A 22 22 GLU N N 22 119.926 116.308 3.618 1
1 149 . 13 1 1 A 22 22 GLU H H 22 7.927 8.314 -0.387 1
1 150 . 13 1 1 A 22 22 GLU CA C 22 57.490 58.695 -1.205 1
1 151 . 13 1 1 A 22 22 GLU HA H 22 4.511 4.334 0.177 1
1 152 . 13 1 1 A 22 22 GLU CB C 22 32.057 29.717 2.340 1
1 158 . 13 1 1 A 22 22 GLU C C 22 175.521 176.377 -0.856 1
1 159 . 13 1 1 A 23 23 ARG N N 23 116.789 119.707 -2.918 1
1 160 . 13 1 1 A 23 23 ARG H H 23 8.340 7.823 0.517 1
1 161 . 13 1 1 A 23 23 ARG CA C 23 56.464 54.997 1.467 1
1 162 . 13 1 1 A 23 23 ARG HA H 23 4.688 4.871 -0.183 1
1 163 . 13 1 1 A 23 23 ARG CB C 23 32.571 33.961 -1.390 1
1 174 . 13 1 1 A 23 23 ARG C C 23 173.992 174.642 -0.650 1
1 175 . 13 1 1 A 24 24 GLY N N 24 108.837 111.235 -2.398 1
1 176 . 13 1 1 A 24 24 GLY H H 24 8.736 8.069 0.667 1
1 177 . 13 1 1 A 24 24 GLY CA C 24 43.943 44.880 -0.937 1
1 178 . 13 1 1 A 24 24 GLY HA2 H 24 3.510 4.473 -0.963 1
1 179 . 13 1 1 A 24 24 GLY HA3 H 24 4.679 4.528 0.151 1
1 180 . 13 1 1 A 24 24 GLY C C 24 171.930 172.753 -0.823 1
1 181 . 13 1 1 A 25 25 GLU N N 25 122.126 120.830 1.296 1
1 182 . 13 1 1 A 25 25 GLU H H 25 9.429 8.630 0.799 1
1 183 . 13 1 1 A 25 25 GLU CA C 25 54.209 54.659 -0.450 1
1 184 . 13 1 1 A 25 25 GLU HA H 25 5.049 5.402 -0.353 1
1 185 . 13 1 1 A 25 25 GLU CB C 25 32.945 33.788 -0.843 1
1 191 . 13 1 1 A 25 25 GLU C C 25 175.853 175.598 0.255 1
1 192 . 13 1 1 A 26 26 ALA N N 26 128.654 125.166 3.488 1
1 193 . 13 1 1 A 26 26 ALA H H 26 8.518 8.853 -0.335 1
1 194 . 13 1 1 A 26 26 ALA CA C 26 53.187 53.107 0.080 1
1 195 . 13 1 1 A 26 26 ALA HA H 26 3.855 4.582 -0.727 1
1 196 . 13 1 1 A 26 26 ALA CB C 26 17.420 18.876 -1.456 1
1 200 . 13 1 1 A 26 26 ALA C C 26 177.837 178.329 -0.492 1
1 201 . 13 1 1 A 27 27 GLY N N 27 108.210 111.162 -2.952 1
1 202 . 13 1 1 A 27 27 GLY H H 27 8.583 8.642 -0.059 1
1 203 . 13 1 1 A 27 27 GLY CA C 27 45.619 45.582 0.037 1
1 204 . 13 1 1 A 27 27 GLY HA2 H 27 3.364 3.875 -0.511 1
1 205 . 13 1 1 A 27 27 GLY HA3 H 27 4.158 3.885 0.273 1
1 206 . 13 1 1 A 27 27 GLY C C 27 173.084 173.765 -0.681 1
1 207 . 13 1 1 A 28 28 VAL N N 28 122.974 121.573 1.401 1
1 208 . 13 1 1 A 28 28 VAL H H 28 7.878 7.750 0.128 1
1 209 . 13 1 1 A 28 28 VAL CA C 28 59.182 58.776 0.406 1
1 210 . 13 1 1 A 28 28 VAL HA H 28 4.510 4.314 0.196 1
1 211 . 13 1 1 A 28 28 VAL CB C 28 34.549 33.879 0.670 1
1 221 . 13 1 1 A 28 28 VAL C C 28 174.171 174.649 -0.478 1
1 222 . 13 1 1 A 29 29 PRO CA C 29 64.354 62.278 2.076 1
1 223 . 13 1 1 A 29 29 PRO HA H 29 4.064 4.539 -0.475 1
1 224 . 13 1 1 A 29 29 PRO CB C 29 31.464 31.660 -0.196 1
1 233 . 13 1 1 A 29 29 PRO C C 29 174.718 175.753 -1.035 1
1 234 . 13 1 1 A 30 30 ALA N N 30 131.821 126.830 4.991 1
1 235 . 13 1 1 A 30 30 ALA H H 30 8.990 7.904 1.086 1
1 236 . 13 1 1 A 30 30 ALA CA C 30 50.482 50.544 -0.062 1
1 237 . 13 1 1 A 30 30 ALA HA H 30 4.558 4.674 -0.116 1
1 238 . 13 1 1 A 30 30 ALA CB C 30 18.793 20.220 -1.427 1
1 242 . 13 1 1 A 30 30 ALA C C 30 176.319 175.415 0.904 1
1 243 . 13 1 1 A 31 31 GLU N N 31 119.523 123.852 -4.329 1
1 244 . 13 1 1 A 31 31 GLU H H 31 8.273 8.920 -0.647 1
1 245 . 13 1 1 A 31 31 GLU CA C 31 55.261 55.112 0.149 1
1 246 . 13 1 1 A 31 31 GLU HA H 31 5.290 5.329 -0.039 1
1 247 . 13 1 1 A 31 31 GLU CB C 31 33.484 32.413 1.071 1
1 253 . 13 1 1 A 31 31 GLU C C 31 176.617 176.157 0.460 1
1 254 . 13 1 1 A 32 32 PHE N N 32 115.139 119.796 -4.657 1
1 255 . 13 1 1 A 32 32 PHE H H 32 8.905 8.310 0.595 1
1 256 . 13 1 1 A 32 32 PHE CA C 32 57.490 55.432 2.058 1
1 257 . 13 1 1 A 32 32 PHE HA H 32 5.031 5.646 -0.615 1
1 258 . 13 1 1 A 32 32 PHE CB C 32 39.989 41.836 -1.847 1
1 271 . 13 1 1 A 32 32 PHE C C 32 172.714 172.957 -0.243 1
1 272 . 13 1 1 A 33 33 SER CA C 33 57.324 57.516 -0.192 1
1 273 . 13 1 1 A 33 33 SER HA H 33 5.404 5.172 0.232 1
1 274 . 13 1 1 A 33 33 SER CB C 33 66.623 64.984 1.639 1
1 277 . 13 1 1 A 34 34 ILE N N 34 127.688 123.104 4.584 1
1 278 . 13 1 1 A 34 34 ILE H H 34 9.577 8.674 0.903 1
1 279 . 13 1 1 A 34 34 ILE CA C 34 60.614 60.279 0.335 1
1 280 . 13 1 1 A 34 34 ILE HA H 34 4.668 4.978 -0.310 1
1 281 . 13 1 1 A 34 34 ILE CB C 34 41.681 40.827 0.854 1
1 294 . 13 1 1 A 35 35 TRP CA C 35 58.440 55.078 3.362 1
1 295 . 13 1 1 A 35 35 TRP HA H 35 5.262 5.279 -0.017 1
1 296 . 13 1 1 A 35 35 TRP CB C 35 30.511 31.134 -0.623 1
1 311 . 13 1 1 A 36 36 THR N N 36 114.021 115.828 -1.807 1
1 312 . 13 1 1 A 36 36 THR H H 36 8.680 8.711 -0.031 1
1 313 . 13 1 1 A 36 36 THR CA C 36 61.459 60.458 1.001 1
1 314 . 13 1 1 A 36 36 THR HA H 36 4.364 4.505 -0.141 1
1 315 . 13 1 1 A 36 36 THR CB C 36 69.197 68.500 0.697 1
1 321 . 13 1 1 A 37 37 ARG CA C 37 56.501 55.799 0.702 1
1 322 . 13 1 1 A 37 37 ARG HA H 37 4.207 4.456 -0.249 1
1 323 . 13 1 1 A 37 37 ARG CB C 37 30.884 31.295 -0.411 1
1 332 . 13 1 1 A 37 37 ARG C C 37 173.005 176.010 -3.005 1
1 333 . 13 1 1 A 38 38 GLU H H 38 8.371 9.078 -0.707 1
1 334 . 13 1 1 A 38 38 GLU CA C 38 56.895 57.374 -0.479 1
1 335 . 13 1 1 A 38 38 GLU HA H 38 4.270 4.060 0.210 1
1 336 . 13 1 1 A 38 38 GLU CB C 38 30.001 28.708 1.293 1
1 342 . 13 1 1 A 39 39 ALA N N 39 121.133 121.257 -0.124 1
1 343 . 13 1 1 A 39 39 ALA H H 39 7.665 8.282 -0.617 1
1 344 . 13 1 1 A 39 39 ALA CA C 39 52.963 52.930 0.033 1
1 345 . 13 1 1 A 39 39 ALA HA H 39 3.964 4.312 -0.348 1
1 346 . 13 1 1 A 39 39 ALA CB C 39 21.097 20.692 0.405 1
1 350 . 13 1 1 A 39 39 ALA C C 39 177.871 177.537 0.334 1
1 351 . 13 1 1 A 40 40 GLY N N 40 105.600 104.384 1.216 1
1 352 . 13 1 1 A 40 40 GLY H H 40 7.654 7.736 -0.082 1
1 353 . 13 1 1 A 40 40 GLY CA C 40 44.261 45.055 -0.794 1
1 354 . 13 1 1 A 40 40 GLY HA2 H 40 3.766 4.218 -0.452 1
1 355 . 13 1 1 A 40 40 GLY HA3 H 40 4.196 4.257 -0.061 1
1 356 . 13 1 1 A 40 40 GLY C C 40 172.824 172.417 0.407 1
1 357 . 13 1 1 A 41 41 ALA N N 41 122.720 124.989 -2.269 1
1 358 . 13 1 1 A 41 41 ALA H H 41 8.364 8.305 0.059 1
1 359 . 13 1 1 A 41 41 ALA CA C 41 52.502 51.221 1.281 1
1 360 . 13 1 1 A 41 41 ALA HA H 41 4.396 5.298 -0.902 1
1 361 . 13 1 1 A 41 41 ALA CB C 41 19.295 22.443 -3.148 1
1 365 . 13 1 1 A 41 41 ALA C C 41 178.393 175.938 2.455 1
1 366 . 13 1 1 A 42 42 GLY N N 42 109.713 108.174 1.539 1
1 367 . 13 1 1 A 42 42 GLY H H 42 8.194 8.422 -0.228 1
1 368 . 13 1 1 A 42 42 GLY CA C 42 45.853 46.094 -0.241 1
1 369 . 13 1 1 A 42 42 GLY HA2 H 42 3.616 3.985 -0.369 1
1 370 . 13 1 1 A 42 42 GLY HA3 H 42 3.761 4.142 -0.381 1
1 371 . 13 1 1 A 42 42 GLY C C 42 172.178 172.506 -0.328 1
1 372 . 13 1 1 A 43 43 GLY N N 43 105.505 109.838 -4.333 1
1 373 . 13 1 1 A 43 43 GLY H H 43 7.422 8.271 -0.849 1
1 374 . 13 1 1 A 43 43 GLY CA C 43 44.382 44.456 -0.074 1
1 375 . 13 1 1 A 43 43 GLY HA2 H 43 3.420 4.241 -0.821 1
1 376 . 13 1 1 A 43 43 GLY HA3 H 43 4.295 4.304 -0.009 1
1 377 . 13 1 1 A 43 43 GLY C C 43 172.885 172.652 0.233 1
1 378 . 13 1 1 A 44 44 LEU N N 44 125.007 121.903 3.104 1
1 379 . 13 1 1 A 44 44 LEU H H 44 8.525 8.500 0.025 1
1 380 . 13 1 1 A 44 44 LEU CA C 44 53.589 54.161 -0.572 1
1 381 . 13 1 1 A 44 44 LEU HA H 44 5.357 5.040 0.317 1
1 382 . 13 1 1 A 44 44 LEU CB C 44 45.602 45.286 0.316 1
1 395 . 13 1 1 A 44 44 LEU C C 44 177.034 175.199 1.835 1
1 396 . 13 1 1 A 45 45 SER N N 45 117.626 121.632 -4.006 1
1 397 . 13 1 1 A 45 45 SER H H 45 9.010 8.690 0.320 1
1 398 . 13 1 1 A 45 45 SER CA C 45 57.065 57.727 -0.662 1
1 399 . 13 1 1 A 45 45 SER HA H 45 4.660 5.049 -0.389 1
1 400 . 13 1 1 A 45 45 SER CB C 45 65.309 64.457 0.852 1
1 403 . 13 1 1 A 45 45 SER C C 45 172.724 173.606 -0.882 1
1 404 . 13 1 1 A 46 46 ILE N N 46 125.604 126.319 -0.715 1
1 405 . 13 1 1 A 46 46 ILE H H 46 8.584 9.020 -0.436 1
1 406 . 13 1 1 A 46 46 ILE CA C 46 59.369 59.816 -0.447 1
1 407 . 13 1 1 A 46 46 ILE HA H 46 5.182 5.402 -0.220 1
1 408 . 13 1 1 A 46 46 ILE CB C 46 40.879 41.281 -0.402 1
1 421 . 13 1 1 A 46 46 ILE C C 46 174.318 174.930 -0.612 1
1 422 . 13 1 1 A 47 47 ALA N N 47 128.948 127.541 1.407 1
1 423 . 13 1 1 A 47 47 ALA H H 47 8.762 8.556 0.206 1
1 424 . 13 1 1 A 47 47 ALA CA C 47 51.123 51.515 -0.392 1
1 425 . 13 1 1 A 47 47 ALA HA H 47 4.724 5.108 -0.384 1
1 426 . 13 1 1 A 47 47 ALA CB C 47 22.575 21.297 1.278 1
1 430 . 13 1 1 A 47 47 ALA C C 47 175.131 175.479 -0.348 1
1 431 . 13 1 1 A 48 48 VAL N N 48 121.512 123.873 -2.361 1
1 432 . 13 1 1 A 48 48 VAL H H 48 8.640 9.003 -0.363 1
1 433 . 13 1 1 A 48 48 VAL CA C 48 61.770 62.099 -0.329 1
1 434 . 13 1 1 A 48 48 VAL HA H 48 4.749 4.512 0.237 1
1 435 . 13 1 1 A 48 48 VAL CB C 48 33.642 31.652 1.990 1
1 445 . 13 1 1 A 48 48 VAL C C 48 174.870 175.464 -0.594 1
1 446 . 13 1 1 A 49 49 GLU N N 49 126.757 126.242 0.515 1
1 447 . 13 1 1 A 49 49 GLU H H 49 8.898 8.561 0.337 1
1 448 . 13 1 1 A 49 49 GLU CA C 49 54.457 54.856 -0.399 1
1 449 . 13 1 1 A 49 49 GLU HA H 49 5.003 5.180 -0.177 1
1 450 . 13 1 1 A 49 49 GLU CB C 49 33.209 32.659 0.550 1
1 456 . 13 1 1 A 49 49 GLU C C 49 175.282 175.891 -0.609 1
1 457 . 13 1 1 A 50 50 GLY N N 50 112.668 111.112 1.556 1
1 458 . 13 1 1 A 50 50 GLY H H 50 8.563 8.603 -0.040 1
1 459 . 13 1 1 A 50 50 GLY CA C 50 45.534 44.470 1.064 1
1 460 . 13 1 1 A 50 50 GLY HA2 H 50 3.481 3.387 0.094 1
1 461 . 13 1 1 A 50 50 GLY HA3 H 50 3.836 3.981 -0.145 1
1 462 . 13 1 1 A 50 50 GLY C C 50 171.670 174.001 -2.331 1
1 463 . 13 1 1 A 51 51 PRO CA C 51 64.371 63.944 0.427 1
1 464 . 13 1 1 A 51 51 PRO HA H 51 4.309 4.362 -0.053 1
1 465 . 13 1 1 A 51 51 PRO CB C 51 32.183 31.796 0.387 1
1 474 . 13 1 1 A 51 51 PRO C C 51 175.938 175.783 0.155 1
1 475 . 13 1 1 A 52 52 SER N N 52 109.776 111.616 -1.840 1
1 476 . 13 1 1 A 52 52 SER H H 52 7.281 7.351 -0.070 1
1 477 . 13 1 1 A 52 52 SER CA C 52 56.747 56.412 0.335 1
1 478 . 13 1 1 A 52 52 SER HA H 52 4.688 4.625 0.063 1
1 479 . 13 1 1 A 52 52 SER CB C 52 65.901 65.312 0.589 1
1 482 . 13 1 1 A 52 52 SER C C 52 172.748 172.296 0.452 1
1 483 . 13 1 1 A 53 53 LYS N N 53 121.441 123.415 -1.974 1
1 484 . 13 1 1 A 53 53 LYS H H 53 8.607 8.394 0.213 1
1 485 . 13 1 1 A 53 53 LYS CA C 53 56.641 56.620 0.021 1
1 486 . 13 1 1 A 53 53 LYS HA H 53 4.391 4.523 -0.132 1
1 487 . 13 1 1 A 53 53 LYS CB C 53 32.323 33.275 -0.952 1
1 499 . 13 1 1 A 53 53 LYS C C 53 175.721 175.670 0.051 1
1 500 . 13 1 1 A 54 54 ALA N N 54 129.914 128.342 1.572 1
1 501 . 13 1 1 A 54 54 ALA H H 54 8.941 8.818 0.123 1
1 502 . 13 1 1 A 54 54 ALA CA C 54 50.924 50.379 0.545 1
1 503 . 13 1 1 A 54 54 ALA HA H 54 4.962 5.327 -0.365 1
1 504 . 13 1 1 A 54 54 ALA CB C 54 20.004 22.242 -2.238 1
1 508 . 13 1 1 A 54 54 ALA C C 54 176.618 175.398 1.220 1
1 509 . 13 1 1 A 55 55 GLU N N 55 122.179 122.425 -0.246 1
1 510 . 13 1 1 A 55 55 GLU H H 55 8.153 8.850 -0.697 1
1 511 . 13 1 1 A 55 55 GLU CA C 55 55.689 56.551 -0.862 1
1 512 . 13 1 1 A 55 55 GLU HA H 55 4.569 4.676 -0.107 1
1 513 . 13 1 1 A 55 55 GLU CB C 55 31.003 30.825 0.178 1
1 519 . 13 1 1 A 55 55 GLU C C 55 176.867 175.348 1.519 1
1 520 . 13 1 1 A 56 56 ILE N N 56 127.733 126.144 1.589 1
1 521 . 13 1 1 A 56 56 ILE H H 56 8.948 8.708 0.240 1
1 522 . 13 1 1 A 56 56 ILE CA C 56 61.345 60.371 0.974 1
1 523 . 13 1 1 A 56 56 ILE HA H 56 4.744 5.057 -0.313 1
1 524 . 13 1 1 A 56 56 ILE CB C 56 40.978 41.242 -0.264 1
1 537 . 13 1 1 A 56 56 ILE C C 56 175.675 174.883 0.792 1
1 538 . 13 1 1 A 57 57 THR N N 57 124.172 124.190 -0.018 1
1 539 . 13 1 1 A 57 57 THR H H 57 9.410 8.719 0.691 1
1 540 . 13 1 1 A 57 57 THR CA C 57 61.999 62.013 -0.014 1
1 541 . 13 1 1 A 57 57 THR HA H 57 4.504 4.676 -0.172 1
1 542 . 13 1 1 A 57 57 THR CB C 57 70.660 69.211 1.449 1
1 548 . 13 1 1 A 57 57 THR C C 57 172.131 173.006 -0.875 1
1 549 . 13 1 1 A 58 58 PHE N N 58 126.429 128.690 -2.261 1
1 550 . 13 1 1 A 58 58 PHE H H 58 8.796 9.169 -0.373 1
1 551 . 13 1 1 A 58 58 PHE CA C 58 56.680 56.153 0.527 1
1 552 . 13 1 1 A 58 58 PHE HA H 58 4.981 5.011 -0.030 1
1 553 . 13 1 1 A 58 58 PHE CB C 58 42.400 40.321 2.079 1
1 566 . 13 1 1 A 58 58 PHE C C 58 173.719 173.333 0.386 1
1 567 . 13 1 1 A 59 59 ASP N N 59 126.210 127.739 -1.529 1
1 568 . 13 1 1 A 59 59 ASP H H 59 8.707 8.794 -0.087 1
1 569 . 13 1 1 A 59 59 ASP CA C 59 52.784 52.473 0.311 1
1 570 . 13 1 1 A 59 59 ASP HA H 59 4.677 5.314 -0.637 1
1 571 . 13 1 1 A 59 59 ASP CB C 59 42.738 44.683 -1.945 1
1 574 . 13 1 1 A 59 59 ASP C C 59 173.710 173.276 0.434 1
1 575 . 13 1 1 A 60 60 ASP N N 60 123.675 125.436 -1.761 1
1 576 . 13 1 1 A 60 60 ASP H H 60 8.490 8.714 -0.224 1
1 577 . 13 1 1 A 60 60 ASP CA C 60 53.871 52.528 1.343 1
1 578 . 13 1 1 A 60 60 ASP HA H 60 4.447 4.780 -0.333 1
1 579 . 13 1 1 A 60 60 ASP CB C 60 41.108 41.667 -0.559 1
1 582 . 13 1 1 A 60 60 ASP C C 60 176.691 175.790 0.901 1
1 583 . 13 1 1 A 61 61 HIS N N 61 124.385 126.103 -1.718 1
1 584 . 13 1 1 A 61 61 HIS H H 61 8.122 8.850 -0.728 1
1 585 . 13 1 1 A 61 61 HIS CA C 61 55.608 57.520 -1.912 1
1 586 . 13 1 1 A 61 61 HIS HA H 61 4.769 4.599 0.170 1
1 587 . 13 1 1 A 61 61 HIS CB C 61 28.607 31.702 -3.095 1
1 594 . 13 1 1 A 61 61 HIS C C 61 175.701 174.446 1.255 1
1 595 . 13 1 1 A 62 62 LYS N N 62 115.195 118.160 -2.965 1
1 596 . 13 1 1 A 62 62 LYS H H 62 9.178 7.710 1.468 1
1 597 . 13 1 1 A 62 62 LYS CA C 62 57.585 54.328 3.257 1
1 598 . 13 1 1 A 62 62 LYS HA H 62 4.028 4.301 -0.273 1
1 599 . 13 1 1 A 62 62 LYS CB C 62 29.373 34.605 -5.232 1
1 611 . 13 1 1 A 63 63 ASN N N 63 116.167 124.617 -8.450 1
1 612 . 13 1 1 A 63 63 ASN H H 63 7.900 9.036 -1.136 1
1 613 . 13 1 1 A 63 63 ASN CA C 63 52.056 55.594 -3.538 1
1 614 . 13 1 1 A 63 63 ASN HA H 63 4.835 4.351 0.484 1
1 615 . 13 1 1 A 63 63 ASN CB C 63 38.468 37.584 0.884 1
1 621 . 13 1 1 A 63 63 ASN C C 63 176.634 177.636 -1.002 1
1 622 . 13 1 1 A 64 64 GLY N N 64 108.877 108.872 0.005 1
1 623 . 13 1 1 A 64 64 GLY H H 64 8.718 8.168 0.550 1
1 624 . 13 1 1 A 64 64 GLY CA C 64 45.534 47.610 -2.076 1
1 625 . 13 1 1 A 64 64 GLY HA2 H 64 3.619 3.870 -0.251 1
1 626 . 13 1 1 A 64 64 GLY HA3 H 64 4.247 3.880 0.367 1
1 627 . 13 1 1 A 65 65 SER N N 65 115.229 113.319 1.910 1
1 628 . 13 1 1 A 65 65 SER H H 65 7.962 7.709 0.253 1
1 629 . 13 1 1 A 65 65 SER CA C 65 57.108 57.552 -0.444 1
1 630 . 13 1 1 A 65 65 SER HA H 65 5.531 4.762 0.769 1
1 631 . 13 1 1 A 65 65 SER CB C 65 67.290 66.864 0.426 1
1 634 . 13 1 1 A 66 66 CYS N N 66 118.007 123.184 -5.177 1
1 635 . 13 1 1 A 66 66 CYS H H 66 8.807 8.786 0.021 1
1 636 . 13 1 1 A 66 66 CYS CA C 66 56.476 57.063 -0.587 1
1 637 . 13 1 1 A 66 66 CYS HA H 66 4.672 5.280 -0.608 1
1 638 . 13 1 1 A 66 66 CYS CB C 66 31.077 31.097 -0.020 1
1 641 . 13 1 1 A 67 67 GLY N N 67 112.448 111.156 1.292 1
1 642 . 13 1 1 A 67 67 GLY H H 67 8.679 8.419 0.260 1
1 643 . 13 1 1 A 67 67 GLY CA C 67 45.004 44.321 0.683 1
1 644 . 13 1 1 A 67 67 GLY HA2 H 67 3.629 4.145 -0.516 1
1 645 . 13 1 1 A 67 67 GLY HA3 H 67 4.645 4.193 0.452 1
1 646 . 13 1 1 A 67 67 GLY C C 67 171.754 171.468 0.286 1
1 647 . 13 1 1 A 68 68 VAL N N 68 123.840 124.968 -1.128 1
1 648 . 13 1 1 A 68 68 VAL H H 68 8.486 8.158 0.328 1
1 649 . 13 1 1 A 68 68 VAL CA C 68 60.143 60.642 -0.499 1
1 650 . 13 1 1 A 68 68 VAL HA H 68 4.579 4.721 -0.142 1
1 651 . 13 1 1 A 68 68 VAL CB C 68 33.946 33.787 0.159 1
1 661 . 13 1 1 A 68 68 VAL C C 68 174.396 175.089 -0.693 1
1 662 . 13 1 1 A 69 69 SER N N 69 119.414 120.983 -1.569 1
1 663 . 13 1 1 A 69 69 SER H H 69 8.450 8.921 -0.471 1
1 664 . 13 1 1 A 69 69 SER CA C 69 56.169 55.624 0.545 1
1 665 . 13 1 1 A 69 69 SER HA H 69 5.442 5.564 -0.122 1
1 666 . 13 1 1 A 69 69 SER CB C 69 65.640 66.330 -0.690 1
1 669 . 13 1 1 A 69 69 SER C C 69 173.189 173.662 -0.473 1
1 670 . 13 1 1 A 70 70 TYR N N 70 119.504 117.629 1.875 1
1 671 . 13 1 1 A 70 70 TYR H H 70 8.771 8.795 -0.024 1
1 672 . 13 1 1 A 70 70 TYR CA C 70 54.962 56.410 -1.448 1
1 673 . 13 1 1 A 70 70 TYR HA H 70 5.922 5.658 0.264 1
1 674 . 13 1 1 A 70 70 TYR CB C 70 42.710 41.358 1.352 1
1 685 . 13 1 1 A 70 70 TYR C C 70 173.056 173.002 0.054 1
1 686 . 13 1 1 A 71 71 ILE N N 71 117.727 123.507 -5.780 1
1 687 . 13 1 1 A 71 71 ILE H H 71 8.196 8.737 -0.541 1
1 688 . 13 1 1 A 71 71 ILE CA C 71 60.132 60.105 0.027 1
1 689 . 13 1 1 A 71 71 ILE HA H 71 4.161 4.574 -0.413 1
1 690 . 13 1 1 A 71 71 ILE CB C 71 40.790 40.568 0.222 1
1 703 . 13 1 1 A 71 71 ILE C C 71 175.114 174.746 0.368 1
1 704 . 13 1 1 A 72 72 ALA N N 72 133.145 129.543 3.602 1
1 705 . 13 1 1 A 72 72 ALA H H 72 9.466 8.490 0.976 1
1 706 . 13 1 1 A 72 72 ALA CA C 72 50.261 50.697 -0.436 1
1 707 . 13 1 1 A 72 72 ALA HA H 72 4.567 4.429 0.138 1
1 708 . 13 1 1 A 72 72 ALA CB C 72 19.699 18.242 1.457 1
1 712 . 13 1 1 A 72 72 ALA C C 72 177.170 177.792 -0.622 1
1 713 . 13 1 1 A 73 73 GLN N N 73 120.464 125.181 -4.717 1
1 714 . 13 1 1 A 73 73 GLN H H 73 8.649 8.574 0.075 1
1 715 . 13 1 1 A 73 73 GLN CA C 73 57.614 58.956 -1.342 1
1 716 . 13 1 1 A 73 73 GLN HA H 73 4.083 4.075 0.008 1
1 717 . 13 1 1 A 73 73 GLN CB C 73 29.667 28.842 0.825 1
1 726 . 13 1 1 A 73 73 GLN C C 73 175.643 176.484 -0.841 1
1 727 . 13 1 1 A 74 74 GLU N N 74 114.557 117.813 -3.256 1
1 728 . 13 1 1 A 74 74 GLU H H 74 7.102 8.187 -1.085 1
1 729 . 13 1 1 A 74 74 GLU CA C 74 52.242 52.916 -0.674 1
1 730 . 13 1 1 A 74 74 GLU HA H 74 4.988 4.806 0.182 1
1 731 . 13 1 1 A 74 74 GLU CB C 74 31.732 30.766 0.966 1
1 737 . 13 1 1 A 74 74 GLU C C 74 174.462 174.032 0.430 1
1 738 . 13 1 1 A 75 75 PRO CA C 75 63.007 63.337 -0.330 1
1 739 . 13 1 1 A 75 75 PRO HA H 75 4.335 4.631 -0.296 1
1 740 . 13 1 1 A 75 75 PRO CB C 75 32.866 32.921 -0.055 1
1 749 . 13 1 1 A 75 75 PRO C C 75 174.572 175.951 -1.379 1
1 750 . 13 1 1 A 76 76 GLY N N 76 107.234 107.942 -0.708 1
1 751 . 13 1 1 A 76 76 GLY H H 76 9.012 8.616 0.396 1
1 752 . 13 1 1 A 76 76 GLY CA C 76 44.615 44.683 -0.068 1
1 753 . 13 1 1 A 76 76 GLY HA2 H 76 3.850 4.194 -0.344 1
1 754 . 13 1 1 A 76 76 GLY HA3 H 76 4.201 4.210 -0.009 1
1 755 . 13 1 1 A 76 76 GLY C C 76 171.133 173.319 -2.186 1
1 756 . 13 1 1 A 77 77 ASN N N 77 119.292 117.030 2.262 1
1 757 . 13 1 1 A 77 77 ASN H H 77 8.549 8.466 0.083 1
1 758 . 13 1 1 A 77 77 ASN CA C 77 52.364 52.091 0.273 1
1 759 . 13 1 1 A 77 77 ASN HA H 77 5.369 5.319 0.050 1
1 760 . 13 1 1 A 77 77 ASN CB C 77 39.176 39.000 0.176 1
1 766 . 13 1 1 A 77 77 ASN C C 77 174.470 173.747 0.723 1
1 767 . 13 1 1 A 78 78 TYR N N 78 123.809 124.453 -0.644 1
1 768 . 13 1 1 A 78 78 TYR H H 78 9.094 9.001 0.093 1
1 769 . 13 1 1 A 78 78 TYR CA C 78 56.818 57.312 -0.494 1
1 770 . 13 1 1 A 78 78 TYR HA H 78 4.859 5.034 -0.175 1
1 771 . 13 1 1 A 78 78 TYR CB C 78 39.860 39.892 -0.032 1
1 782 . 13 1 1 A 78 78 TYR C C 78 174.184 174.871 -0.687 1
1 783 . 13 1 1 A 79 79 GLU N N 79 122.250 125.783 -3.533 1
1 784 . 13 1 1 A 79 79 GLU H H 79 9.259 8.888 0.371 1
1 785 . 13 1 1 A 79 79 GLU CA C 79 54.692 55.834 -1.142 1
1 786 . 13 1 1 A 79 79 GLU HA H 79 5.313 5.006 0.307 1
1 787 . 13 1 1 A 79 79 GLU CB C 79 32.159 30.537 1.622 1
1 793 . 13 1 1 A 79 79 GLU C C 79 176.631 175.114 1.517 1
1 794 . 13 1 1 A 80 80 VAL N N 80 131.418 128.413 3.005 1
1 795 . 13 1 1 A 80 80 VAL H H 80 9.761 8.697 1.064 1
1 796 . 13 1 1 A 80 80 VAL CA C 80 61.522 61.917 -0.395 1
1 797 . 13 1 1 A 80 80 VAL HA H 80 4.801 4.372 0.429 1
1 798 . 13 1 1 A 80 80 VAL CB C 80 32.818 31.750 1.068 1
1 808 . 13 1 1 A 80 80 VAL C C 80 175.573 175.569 0.004 1
1 809 . 13 1 1 A 81 81 SER N N 81 123.238 121.944 1.294 1
1 810 . 13 1 1 A 81 81 SER H H 81 9.457 8.877 0.580 1
1 811 . 13 1 1 A 81 81 SER CA C 81 57.589 56.733 0.856 1
1 812 . 13 1 1 A 81 81 SER HA H 81 5.167 5.155 0.012 1
1 813 . 13 1 1 A 81 81 SER CB C 81 64.882 64.537 0.345 1
1 816 . 13 1 1 A 81 81 SER C C 81 173.514 173.990 -0.476 1
1 817 . 13 1 1 A 82 82 ILE N N 82 126.261 125.912 0.349 1
1 818 . 13 1 1 A 82 82 ILE H H 82 9.642 9.035 0.607 1
1 819 . 13 1 1 A 82 82 ILE CA C 82 60.992 59.685 1.307 1
1 820 . 13 1 1 A 82 82 ILE HA H 82 4.667 5.100 -0.433 1
1 821 . 13 1 1 A 82 82 ILE CB C 82 40.692 40.980 -0.288 1
1 834 . 13 1 1 A 82 82 ILE C C 82 173.498 175.014 -1.516 1
1 835 . 13 1 1 A 83 83 LYS N N 83 123.477 125.343 -1.866 1
1 836 . 13 1 1 A 83 83 LYS H H 83 8.720 8.683 0.037 1
1 837 . 13 1 1 A 83 83 LYS CA C 83 53.730 54.866 -1.136 1
1 838 . 13 1 1 A 83 83 LYS HA H 83 5.139 5.287 -0.148 1
1 839 . 13 1 1 A 83 83 LYS CB C 83 36.351 35.962 0.389 1
1 851 . 13 1 1 A 83 83 LYS C C 83 174.914 174.641 0.273 1
1 852 . 13 1 1 A 84 84 PHE N N 84 122.298 125.937 -3.639 1
1 853 . 13 1 1 A 84 84 PHE H H 84 9.154 9.280 -0.126 1
1 854 . 13 1 1 A 84 84 PHE CA C 84 56.057 57.192 -1.135 1
1 855 . 13 1 1 A 84 84 PHE HA H 84 5.238 4.873 0.365 1
1 856 . 13 1 1 A 84 84 PHE CB C 84 43.136 40.700 2.436 1
1 867 . 13 1 1 A 84 84 PHE C C 84 175.864 174.790 1.074 1
1 868 . 13 1 1 A 85 85 ASN N N 85 127.936 125.475 2.461 1
1 869 . 13 1 1 A 85 85 ASN H H 85 9.040 9.405 -0.365 1
1 870 . 13 1 1 A 85 85 ASN CA C 85 54.448 54.444 0.004 1
1 871 . 13 1 1 A 85 85 ASN HA H 85 4.206 4.227 -0.021 1
1 872 . 13 1 1 A 85 85 ASN CB C 85 36.554 36.605 -0.051 1
1 878 . 13 1 1 A 85 85 ASN C C 85 174.620 174.699 -0.079 1
1 879 . 13 1 1 A 86 86 ASP N N 86 108.763 115.245 -6.482 1
1 880 . 13 1 1 A 86 86 ASP H H 86 8.828 8.503 0.325 1
1 881 . 13 1 1 A 86 86 ASP CA C 86 56.405 55.442 0.963 1
1 882 . 13 1 1 A 86 86 ASP HA H 86 3.946 4.198 -0.252 1
1 883 . 13 1 1 A 86 86 ASP CB C 86 40.367 40.033 0.334 1
1 886 . 13 1 1 A 86 86 ASP C C 86 174.169 174.705 -0.536 1
1 887 . 13 1 1 A 87 87 GLU N N 87 119.289 117.316 1.973 1
1 888 . 13 1 1 A 87 87 GLU H H 87 7.510 7.579 -0.069 1
1 889 . 13 1 1 A 87 87 GLU CA C 87 54.483 54.941 -0.458 1
1 890 . 13 1 1 A 87 87 GLU HA H 87 4.743 4.953 -0.210 1
1 891 . 13 1 1 A 87 87 GLU CB C 87 32.763 33.276 -0.513 1
1 897 . 13 1 1 A 87 87 GLU C C 87 175.825 175.028 0.797 1
1 898 . 13 1 1 A 88 88 HIS N N 88 123.465 120.315 3.150 1
1 899 . 13 1 1 A 88 88 HIS H H 88 8.822 9.084 -0.262 1
1 900 . 13 1 1 A 88 88 HIS CA C 88 59.117 55.877 3.240 1
1 901 . 13 1 1 A 88 88 HIS HA H 88 4.511 5.129 -0.618 1
1 902 . 13 1 1 A 88 88 HIS CB C 88 32.254 31.326 0.928 1
1 909 . 13 1 1 A 88 88 HIS C C 88 177.352 175.588 1.764 1
1 910 . 13 1 1 A 89 89 ILE N N 89 117.945 120.652 -2.707 1
1 911 . 13 1 1 A 89 89 ILE H H 89 8.131 8.976 -0.845 1
1 912 . 13 1 1 A 89 89 ILE CA C 89 61.121 59.235 1.886 1
1 913 . 13 1 1 A 89 89 ILE HA H 89 4.519 4.703 -0.184 1
1 914 . 13 1 1 A 89 89 ILE CB C 89 35.538 37.926 -2.388 1
1 927 . 13 1 1 A 89 89 ILE C C 89 173.831 176.338 -2.507 1
1 928 . 13 1 1 A 90 90 PRO CA C 90 66.545 64.334 2.211 1
1 929 . 13 1 1 A 90 90 PRO HA H 90 4.223 4.539 -0.316 1
1 930 . 13 1 1 A 90 90 PRO CB C 90 31.693 31.575 0.118 1
1 939 . 13 1 1 A 90 90 PRO C C 90 177.046 176.465 0.581 1
1 940 . 13 1 1 A 91 91 GLU N N 91 113.835 117.080 -3.245 1
1 941 . 13 1 1 A 91 91 GLU H H 91 8.223 8.273 -0.050 1
1 942 . 13 1 1 A 91 91 GLU CA C 91 57.913 56.188 1.725 1
1 943 . 13 1 1 A 91 91 GLU HA H 91 3.733 4.370 -0.637 1
1 944 . 13 1 1 A 91 91 GLU CB C 91 27.681 31.236 -3.555 1
1 950 . 13 1 1 A 91 91 GLU C C 91 173.469 175.544 -2.075 1
1 951 . 13 1 1 A 92 92 SER N N 92 111.462 113.702 -2.240 1
1 952 . 13 1 1 A 92 92 SER H H 92 7.489 7.569 -0.080 1
1 953 . 13 1 1 A 92 92 SER CA C 92 54.873 55.492 -0.619 1
1 954 . 13 1 1 A 92 92 SER HA H 92 4.427 4.619 -0.192 1
1 955 . 13 1 1 A 92 92 SER CB C 92 63.317 64.895 -1.578 1
1 958 . 13 1 1 A 92 92 SER C C 92 174.195 172.515 1.680 1
1 959 . 13 1 1 A 93 93 PRO CA C 93 62.333 62.482 -0.149 1
1 960 . 13 1 1 A 93 93 PRO HA H 93 5.483 4.722 0.761 1
1 961 . 13 1 1 A 93 93 PRO CB C 93 34.386 32.643 1.743 1
1 970 . 13 1 1 A 93 93 PRO C C 93 176.059 174.827 1.232 1
1 971 . 13 1 1 A 94 94 TYR N N 94 122.179 119.390 2.789 1
1 972 . 13 1 1 A 94 94 TYR H H 94 9.372 8.959 0.413 1
1 973 . 13 1 1 A 94 94 TYR CA C 94 57.101 57.215 -0.114 1
1 974 . 13 1 1 A 94 94 TYR HA H 94 4.531 5.046 -0.515 1
1 975 . 13 1 1 A 94 94 TYR CB C 94 40.027 41.493 -1.466 1
1 986 . 13 1 1 A 94 94 TYR C C 94 175.281 174.364 0.917 1
1 987 . 13 1 1 A 95 95 LEU N N 95 126.428 125.189 1.239 1
1 988 . 13 1 1 A 95 95 LEU H H 95 8.807 8.706 0.101 1
1 989 . 13 1 1 A 95 95 LEU CA C 95 54.200 53.664 0.536 1
1 990 . 13 1 1 A 95 95 LEU HA H 95 4.981 5.130 -0.149 1
1 991 . 13 1 1 A 95 95 LEU CB C 95 41.894 44.130 -2.236 1
1 1004 . 13 1 1 A 95 95 LEU C C 95 176.295 174.714 1.581 1
1 1005 . 13 1 1 A 96 96 VAL N N 96 130.944 127.797 3.147 1
1 1006 . 13 1 1 A 96 96 VAL H H 96 9.629 8.754 0.875 1
1 1007 . 13 1 1 A 96 96 VAL CA C 96 59.813 59.315 0.498 1
1 1008 . 13 1 1 A 96 96 VAL HA H 96 4.469 4.587 -0.118 1
1 1009 . 13 1 1 A 96 96 VAL CB C 96 35.052 32.643 2.409 1
1 1019 . 13 1 1 A 96 96 VAL C C 96 173.734 175.104 -1.370 1
1 1020 . 13 1 1 A 97 97 PRO CA C 97 62.379 62.369 0.010 1
1 1021 . 13 1 1 A 97 97 PRO HA H 97 5.016 4.789 0.227 1
1 1022 . 13 1 1 A 97 97 PRO CB C 97 32.163 29.972 2.191 1
1 1031 . 13 1 1 A 97 97 PRO C C 97 175.950 176.340 -0.390 1
1 1032 . 13 1 1 A 98 98 VAL N N 98 125.524 123.794 1.730 1
1 1033 . 13 1 1 A 98 98 VAL H H 98 9.196 8.705 0.491 1
1 1034 . 13 1 1 A 98 98 VAL CA C 98 61.345 62.964 -1.619 1
1 1035 . 13 1 1 A 98 98 VAL HA H 98 4.411 4.414 -0.003 1
1 1036 . 13 1 1 A 98 98 VAL CB C 98 32.037 32.275 -0.238 1
1 1046 . 13 1 1 A 98 98 VAL C C 98 176.996 175.978 1.018 1
1 1047 . 13 1 1 A 99 99 ILE N N 99 124.035 121.755 2.280 1
1 1048 . 13 1 1 A 99 99 ILE H H 99 8.392 8.506 -0.114 1
1 1049 . 13 1 1 A 99 99 ILE CA C 99 59.802 58.871 0.931 1
1 1050 . 13 1 1 A 99 99 ILE HA H 99 4.651 4.968 -0.317 1
1 1051 . 13 1 1 A 99 99 ILE CB C 99 40.609 42.183 -1.574 1
1 1064 . 13 1 1 A 99 99 ILE C C 99 175.482 174.534 0.948 1
1 1065 . 13 1 1 A 100 100 ALA N N 100 125.837 125.042 0.795 1
1 1066 . 13 1 1 A 100 100 ALA H H 100 8.714 8.496 0.218 1
1 1067 . 13 1 1 A 100 100 ALA CA C 100 50.416 50.170 0.246 1
1 1068 . 13 1 1 A 100 100 ALA HA H 100 4.603 4.477 0.126 1
1 1069 . 13 1 1 A 100 100 ALA CB C 100 18.088 19.695 -1.607 1
1 1073 . 13 1 1 A 100 100 ALA C C 100 175.264 176.325 -1.061 1
1 1074 . 13 1 1 A 101 101 PRO CA C 101 63.104 62.793 0.311 1
1 1075 . 13 1 1 A 101 101 PRO HA H 101 4.483 4.729 -0.246 1
1 1076 . 13 1 1 A 101 101 PRO CB C 101 32.222 31.715 0.507 1
1 1085 . 13 1 1 A 101 101 PRO C C 101 176.976 175.460 1.516 1
1 1086 . 13 1 1 A 102 102 SER N N 102 116.530 118.109 -1.579 1
1 1087 . 13 1 1 A 102 102 SER H H 102 8.527 8.785 -0.258 1
1 1088 . 13 1 1 A 102 102 SER CA C 102 58.283 57.140 1.143 1
1 1089 . 13 1 1 A 102 102 SER HA H 102 4.433 5.077 -0.644 1
1 1090 . 13 1 1 A 102 102 SER CB C 102 64.078 65.659 -1.581 1
1 1093 . 13 1 1 A 102 102 SER C C 102 174.510 172.506 2.004 1
1 1094 . 13 1 1 A 103 103 ASP N N 103 123.018 125.593 -2.575 1
1 1095 . 13 1 1 A 103 103 ASP H H 103 8.450 8.610 -0.160 1
1 1096 . 13 1 1 A 103 103 ASP CA C 103 54.431 53.047 1.384 1
1 1097 . 13 1 1 A 103 103 ASP HA H 103 4.654 5.287 -0.633 1
1 1098 . 13 1 1 A 103 103 ASP CB C 103 41.226 43.935 -2.709 1
1 1101 . 13 1 1 A 103 103 ASP C C 103 175.889 175.900 -0.011 1
1 1102 . 13 1 1 A 104 104 ASP N N 104 120.896 124.809 -3.913 1
1 1103 . 13 1 1 A 104 104 ASP H H 104 8.264 8.897 -0.633 1
1 1104 . 13 1 1 A 104 104 ASP CA C 104 54.283 57.010 -2.727 1
1 1105 . 13 1 1 A 104 104 ASP HA H 104 4.601 4.403 0.198 1
1 1106 . 13 1 1 A 104 104 ASP CB C 104 41.183 41.090 0.093 1
1 1109 . 13 1 1 A 104 104 ASP C C 104 175.065 177.422 -2.357 1
1 1 . 14 1 1 A 7 7 GLY N N 7 110.767 112.409 -1.642 1
1 2 . 14 1 1 A 7 7 GLY H H 7 8.421 8.664 -0.243 1
1 3 . 14 1 1 A 7 7 GLY CA C 7 45.393 44.200 1.193 1
1 4 . 14 1 1 A 7 7 GLY HA2 H 7 4.003 4.164 -0.161 1
1 5 . 14 1 1 A 7 7 GLY HA3 H 7 4.003 4.166 -0.163 1
1 6 . 14 1 1 A 7 7 GLY C C 7 174.160 172.560 1.600 1
1 7 . 14 1 1 A 8 8 GLU N N 8 120.419 119.106 1.313 1
1 8 . 14 1 1 A 8 8 GLU H H 8 8.320 8.408 -0.088 1
1 9 . 14 1 1 A 8 8 GLU CA C 8 56.499 54.848 1.651 1
1 10 . 14 1 1 A 8 8 GLU HA H 8 4.390 5.292 -0.902 1
1 11 . 14 1 1 A 8 8 GLU CB C 8 30.615 33.575 -2.960 1
1 17 . 14 1 1 A 8 8 GLU C C 8 176.858 175.824 1.034 1
1 18 . 14 1 1 A 9 9 GLY N N 9 109.731 108.612 1.119 1
1 19 . 14 1 1 A 9 9 GLY H H 9 8.522 8.614 -0.092 1
1 20 . 14 1 1 A 9 9 GLY CA C 9 45.110 45.651 -0.541 1
1 21 . 14 1 1 A 9 9 GLY HA2 H 9 4.090 4.233 -0.143 1
1 22 . 14 1 1 A 9 9 GLY HA3 H 9 3.931 4.284 -0.353 1
1 23 . 14 1 1 A 9 9 GLY C C 9 173.933 173.027 0.906 1
1 24 . 14 1 1 A 10 10 GLY N N 10 107.139 111.025 -3.886 1
1 25 . 14 1 1 A 10 10 GLY H H 10 8.393 8.347 0.046 1
1 26 . 14 1 1 A 10 10 GLY CA C 10 45.039 45.601 -0.562 1
1 27 . 14 1 1 A 10 10 GLY HA2 H 10 3.868 4.425 -0.557 1
1 28 . 14 1 1 A 10 10 GLY HA3 H 10 4.528 4.470 0.058 1
1 29 . 14 1 1 A 10 10 GLY C C 10 174.561 174.697 -0.136 1
1 30 . 14 1 1 A 11 11 ALA N N 11 122.466 122.794 -0.328 1
1 31 . 14 1 1 A 11 11 ALA H H 11 8.875 8.898 -0.023 1
1 32 . 14 1 1 A 11 11 ALA CA C 11 55.391 55.003 0.388 1
1 33 . 14 1 1 A 11 11 ALA HA H 11 3.803 4.110 -0.307 1
1 34 . 14 1 1 A 11 11 ALA CB C 11 19.583 18.869 0.714 1
1 38 . 14 1 1 A 11 11 ALA C C 11 178.242 180.047 -1.805 1
1 39 . 14 1 1 A 12 12 HIS N N 12 111.513 115.336 -3.823 1
1 40 . 14 1 1 A 12 12 HIS H H 12 8.290 8.520 -0.230 1
1 41 . 14 1 1 A 12 12 HIS CA C 12 57.847 59.000 -1.153 1
1 42 . 14 1 1 A 12 12 HIS HA H 12 4.443 4.324 0.119 1
1 43 . 14 1 1 A 12 12 HIS CB C 12 29.321 28.739 0.582 1
1 50 . 14 1 1 A 12 12 HIS C C 12 176.189 176.074 0.115 1
1 51 . 14 1 1 A 13 13 LYS N N 13 118.111 117.686 0.425 1
1 52 . 14 1 1 A 13 13 LYS H H 13 7.558 6.961 0.597 1
1 53 . 14 1 1 A 13 13 LYS CA C 13 54.660 55.496 -0.836 1
1 54 . 14 1 1 A 13 13 LYS HA H 13 4.202 4.037 0.165 1
1 55 . 14 1 1 A 13 13 LYS CB C 13 32.655 31.335 1.320 1
1 67 . 14 1 1 A 13 13 LYS C C 13 176.721 174.568 2.153 1
1 68 . 14 1 1 A 14 14 VAL N N 14 123.625 119.359 4.266 1
1 69 . 14 1 1 A 14 14 VAL H H 14 7.499 7.103 0.396 1
1 70 . 14 1 1 A 14 14 VAL CA C 14 63.247 61.177 2.070 1
1 71 . 14 1 1 A 14 14 VAL HA H 14 3.907 4.430 -0.523 1
1 72 . 14 1 1 A 14 14 VAL CB C 14 31.649 33.978 -2.329 1
1 82 . 14 1 1 A 15 15 ARG H H 15 8.106 8.986 -0.880 1
1 83 . 14 1 1 A 15 15 ARG CA C 15 53.791 54.463 -0.672 1
1 84 . 14 1 1 A 15 15 ARG HA H 15 5.021 4.943 0.078 1
1 85 . 14 1 1 A 15 15 ARG CB C 15 34.207 32.673 1.534 1
1 94 . 14 1 1 A 16 16 ALA N N 16 123.795 130.374 -6.579 1
1 95 . 14 1 1 A 16 16 ALA H H 16 8.875 9.135 -0.260 1
1 96 . 14 1 1 A 16 16 ALA CA C 16 51.092 50.976 0.116 1
1 97 . 14 1 1 A 16 16 ALA HA H 16 5.569 5.133 0.436 1
1 98 . 14 1 1 A 16 16 ALA CB C 16 23.845 20.271 3.574 1
1 102 . 14 1 1 A 17 17 GLY N N 17 106.516 110.340 -3.824 1
1 103 . 14 1 1 A 17 17 GLY H H 17 8.616 8.623 -0.007 1
1 104 . 14 1 1 A 17 17 GLY CA C 17 46.205 44.702 1.503 1
1 105 . 14 1 1 A 17 17 GLY HA2 H 17 4.289 4.174 0.115 1
1 106 . 14 1 1 A 17 17 GLY HA3 H 17 4.226 4.198 0.028 1
1 107 . 14 1 1 A 18 18 GLY N N 18 111.804 107.689 4.115 1
1 108 . 14 1 1 A 18 18 GLY H H 18 8.816 8.535 0.281 1
1 109 . 14 1 1 A 18 18 GLY CA C 18 44.595 44.829 -0.234 1
1 110 . 14 1 1 A 18 18 GLY HA2 H 18 4.105 4.148 -0.043 1
1 111 . 14 1 1 A 18 18 GLY HA3 H 18 4.105 4.210 -0.105 1
1 112 . 14 1 1 A 19 19 PRO CA C 19 65.526 63.514 2.012 1
1 113 . 14 1 1 A 19 19 PRO HA H 19 4.335 4.176 0.159 1
1 114 . 14 1 1 A 19 19 PRO CB C 19 31.790 32.073 -0.283 1
1 123 . 14 1 1 A 19 19 PRO C C 19 179.208 177.265 1.943 1
1 124 . 14 1 1 A 20 20 GLY N N 20 103.234 110.118 -6.884 1
1 125 . 14 1 1 A 20 20 GLY H H 20 9.282 8.799 0.483 1
1 126 . 14 1 1 A 20 20 GLY CA C 20 46.361 45.437 0.924 1
1 127 . 14 1 1 A 20 20 GLY HA2 H 20 3.214 3.911 -0.697 1
1 128 . 14 1 1 A 20 20 GLY HA3 H 20 4.184 3.926 0.258 1
1 129 . 14 1 1 A 20 20 GLY C C 20 172.711 176.186 -3.475 1
1 130 . 14 1 1 A 21 21 LEU N N 21 116.307 121.496 -5.189 1
1 131 . 14 1 1 A 21 21 LEU H H 21 7.559 7.918 -0.359 1
1 132 . 14 1 1 A 21 21 LEU CA C 21 53.980 57.281 -3.301 1
1 133 . 14 1 1 A 21 21 LEU HA H 21 4.166 3.899 0.267 1
1 134 . 14 1 1 A 21 21 LEU CB C 21 40.135 40.878 -0.743 1
1 147 . 14 1 1 A 21 21 LEU C C 21 175.859 179.638 -3.779 1
1 148 . 14 1 1 A 22 22 GLU N N 22 119.926 116.436 3.490 1
1 149 . 14 1 1 A 22 22 GLU H H 22 7.927 8.509 -0.582 1
1 150 . 14 1 1 A 22 22 GLU CA C 22 57.490 58.631 -1.141 1
1 151 . 14 1 1 A 22 22 GLU HA H 22 4.511 4.169 0.342 1
1 152 . 14 1 1 A 22 22 GLU CB C 22 32.057 29.065 2.992 1
1 158 . 14 1 1 A 22 22 GLU C C 22 175.521 176.467 -0.946 1
1 159 . 14 1 1 A 23 23 ARG N N 23 116.789 119.663 -2.874 1
1 160 . 14 1 1 A 23 23 ARG H H 23 8.340 7.589 0.751 1
1 161 . 14 1 1 A 23 23 ARG CA C 23 56.464 55.633 0.831 1
1 162 . 14 1 1 A 23 23 ARG HA H 23 4.688 4.795 -0.107 1
1 163 . 14 1 1 A 23 23 ARG CB C 23 32.571 33.711 -1.140 1
1 174 . 14 1 1 A 23 23 ARG C C 23 173.992 174.482 -0.490 1
1 175 . 14 1 1 A 24 24 GLY N N 24 108.837 112.394 -3.557 1
1 176 . 14 1 1 A 24 24 GLY H H 24 8.736 8.835 -0.099 1
1 177 . 14 1 1 A 24 24 GLY CA C 24 43.943 44.540 -0.597 1
1 178 . 14 1 1 A 24 24 GLY HA2 H 24 3.510 4.335 -0.825 1
1 179 . 14 1 1 A 24 24 GLY HA3 H 24 4.679 4.384 0.295 1
1 180 . 14 1 1 A 24 24 GLY C C 24 171.930 172.558 -0.628 1
1 181 . 14 1 1 A 25 25 GLU N N 25 122.126 120.954 1.172 1
1 182 . 14 1 1 A 25 25 GLU H H 25 9.429 8.529 0.900 1
1 183 . 14 1 1 A 25 25 GLU CA C 25 54.209 54.809 -0.600 1
1 184 . 14 1 1 A 25 25 GLU HA H 25 5.049 5.141 -0.092 1
1 185 . 14 1 1 A 25 25 GLU CB C 25 32.945 33.374 -0.429 1
1 191 . 14 1 1 A 25 25 GLU C C 25 175.853 175.879 -0.026 1
1 192 . 14 1 1 A 26 26 ALA N N 26 128.654 127.148 1.506 1
1 193 . 14 1 1 A 26 26 ALA H H 26 8.518 8.895 -0.377 1
1 194 . 14 1 1 A 26 26 ALA CA C 26 53.187 53.868 -0.681 1
1 195 . 14 1 1 A 26 26 ALA HA H 26 3.855 4.289 -0.434 1
1 196 . 14 1 1 A 26 26 ALA CB C 26 17.420 18.335 -0.915 1
1 200 . 14 1 1 A 26 26 ALA C C 26 177.837 178.351 -0.514 1
1 201 . 14 1 1 A 27 27 GLY N N 27 108.210 110.690 -2.480 1
1 202 . 14 1 1 A 27 27 GLY H H 27 8.583 8.755 -0.172 1
1 203 . 14 1 1 A 27 27 GLY CA C 27 45.619 45.318 0.301 1
1 204 . 14 1 1 A 27 27 GLY HA2 H 27 3.364 3.938 -0.574 1
1 205 . 14 1 1 A 27 27 GLY HA3 H 27 4.158 3.944 0.214 1
1 206 . 14 1 1 A 27 27 GLY C C 27 173.084 173.492 -0.408 1
1 207 . 14 1 1 A 28 28 VAL N N 28 122.974 122.247 0.727 1
1 208 . 14 1 1 A 28 28 VAL H H 28 7.878 7.596 0.282 1
1 209 . 14 1 1 A 28 28 VAL CA C 28 59.182 58.845 0.337 1
1 210 . 14 1 1 A 28 28 VAL HA H 28 4.510 4.313 0.197 1
1 211 . 14 1 1 A 28 28 VAL CB C 28 34.549 33.462 1.087 1
1 221 . 14 1 1 A 28 28 VAL C C 28 174.171 174.714 -0.543 1
1 222 . 14 1 1 A 29 29 PRO CA C 29 64.354 62.205 2.149 1
1 223 . 14 1 1 A 29 29 PRO HA H 29 4.064 4.580 -0.516 1
1 224 . 14 1 1 A 29 29 PRO CB C 29 31.464 31.457 0.007 1
1 233 . 14 1 1 A 29 29 PRO C C 29 174.718 175.783 -1.065 1
1 234 . 14 1 1 A 30 30 ALA N N 30 131.821 126.814 5.007 1
1 235 . 14 1 1 A 30 30 ALA H H 30 8.990 8.001 0.989 1
1 236 . 14 1 1 A 30 30 ALA CA C 30 50.482 50.856 -0.374 1
1 237 . 14 1 1 A 30 30 ALA HA H 30 4.558 4.597 -0.039 1
1 238 . 14 1 1 A 30 30 ALA CB C 30 18.793 19.713 -0.920 1
1 242 . 14 1 1 A 30 30 ALA C C 30 176.319 176.225 0.094 1
1 243 . 14 1 1 A 31 31 GLU N N 31 119.523 124.012 -4.489 1
1 244 . 14 1 1 A 31 31 GLU H H 31 8.273 8.918 -0.645 1
1 245 . 14 1 1 A 31 31 GLU CA C 31 55.261 55.191 0.070 1
1 246 . 14 1 1 A 31 31 GLU HA H 31 5.290 5.365 -0.075 1
1 247 . 14 1 1 A 31 31 GLU CB C 31 33.484 33.128 0.356 1
1 253 . 14 1 1 A 31 31 GLU C C 31 176.617 175.907 0.710 1
1 254 . 14 1 1 A 32 32 PHE N N 32 115.139 119.283 -4.144 1
1 255 . 14 1 1 A 32 32 PHE H H 32 8.905 8.444 0.461 1
1 256 . 14 1 1 A 32 32 PHE CA C 32 57.490 55.763 1.727 1
1 257 . 14 1 1 A 32 32 PHE HA H 32 5.031 5.447 -0.416 1
1 258 . 14 1 1 A 32 32 PHE CB C 32 39.989 42.440 -2.451 1
1 271 . 14 1 1 A 32 32 PHE C C 32 172.714 172.357 0.357 1
1 272 . 14 1 1 A 33 33 SER CA C 33 57.324 57.701 -0.377 1
1 273 . 14 1 1 A 33 33 SER HA H 33 5.404 4.917 0.487 1
1 274 . 14 1 1 A 33 33 SER CB C 33 66.623 63.890 2.733 1
1 277 . 14 1 1 A 34 34 ILE N N 34 127.688 127.269 0.419 1
1 278 . 14 1 1 A 34 34 ILE H H 34 9.577 8.780 0.797 1
1 279 . 14 1 1 A 34 34 ILE CA C 34 60.614 60.489 0.125 1
1 280 . 14 1 1 A 34 34 ILE HA H 34 4.668 4.734 -0.066 1
1 281 . 14 1 1 A 34 34 ILE CB C 34 41.681 38.200 3.481 1
1 294 . 14 1 1 A 35 35 TRP CA C 35 58.440 56.137 2.303 1
1 295 . 14 1 1 A 35 35 TRP HA H 35 5.262 5.286 -0.024 1
1 296 . 14 1 1 A 35 35 TRP CB C 35 30.511 32.629 -2.118 1
1 311 . 14 1 1 A 36 36 THR N N 36 114.021 115.067 -1.046 1
1 312 . 14 1 1 A 36 36 THR H H 36 8.680 7.798 0.882 1
1 313 . 14 1 1 A 36 36 THR CA C 36 61.459 59.244 2.215 1
1 314 . 14 1 1 A 36 36 THR HA H 36 4.364 4.658 -0.294 1
1 315 . 14 1 1 A 36 36 THR CB C 36 69.197 71.149 -1.952 1
1 321 . 14 1 1 A 37 37 ARG CA C 37 56.501 54.861 1.640 1
1 322 . 14 1 1 A 37 37 ARG HA H 37 4.207 4.527 -0.320 1
1 323 . 14 1 1 A 37 37 ARG CB C 37 30.884 33.063 -2.179 1
1 332 . 14 1 1 A 37 37 ARG C C 37 173.005 175.391 -2.386 1
1 333 . 14 1 1 A 38 38 GLU H H 38 8.371 9.092 -0.721 1
1 334 . 14 1 1 A 38 38 GLU CA C 38 56.895 57.258 -0.363 1
1 335 . 14 1 1 A 38 38 GLU HA H 38 4.270 3.898 0.372 1
1 336 . 14 1 1 A 38 38 GLU CB C 38 30.001 28.558 1.443 1
1 342 . 14 1 1 A 39 39 ALA N N 39 121.133 119.089 2.044 1
1 343 . 14 1 1 A 39 39 ALA H H 39 7.665 7.313 0.352 1
1 344 . 14 1 1 A 39 39 ALA CA C 39 52.963 51.013 1.950 1
1 345 . 14 1 1 A 39 39 ALA HA H 39 3.964 4.922 -0.958 1
1 346 . 14 1 1 A 39 39 ALA CB C 39 21.097 22.459 -1.362 1
1 350 . 14 1 1 A 39 39 ALA C C 39 177.871 175.637 2.234 1
1 351 . 14 1 1 A 40 40 GLY N N 40 105.600 105.587 0.013 1
1 352 . 14 1 1 A 40 40 GLY H H 40 7.654 8.930 -1.276 1
1 353 . 14 1 1 A 40 40 GLY CA C 40 44.261 44.738 -0.477 1
1 354 . 14 1 1 A 40 40 GLY HA2 H 40 3.766 4.214 -0.448 1
1 355 . 14 1 1 A 40 40 GLY HA3 H 40 4.196 4.239 -0.043 1
1 356 . 14 1 1 A 40 40 GLY C C 40 172.824 173.542 -0.718 1
1 357 . 14 1 1 A 41 41 ALA N N 41 122.720 127.189 -4.469 1
1 358 . 14 1 1 A 41 41 ALA H H 41 8.364 8.483 -0.119 1
1 359 . 14 1 1 A 41 41 ALA CA C 41 52.502 53.040 -0.538 1
1 360 . 14 1 1 A 41 41 ALA HA H 41 4.396 4.209 0.187 1
1 361 . 14 1 1 A 41 41 ALA CB C 41 19.295 19.049 0.246 1
1 365 . 14 1 1 A 41 41 ALA C C 41 178.393 177.587 0.806 1
1 366 . 14 1 1 A 42 42 GLY N N 42 109.713 110.826 -1.113 1
1 367 . 14 1 1 A 42 42 GLY H H 42 8.194 8.635 -0.441 1
1 368 . 14 1 1 A 42 42 GLY CA C 42 45.853 44.400 1.453 1
1 369 . 14 1 1 A 42 42 GLY HA2 H 42 3.616 3.982 -0.366 1
1 370 . 14 1 1 A 42 42 GLY HA3 H 42 3.761 4.175 -0.414 1
1 371 . 14 1 1 A 42 42 GLY C C 42 172.178 173.208 -1.030 1
1 372 . 14 1 1 A 43 43 GLY N N 43 105.505 108.183 -2.678 1
1 373 . 14 1 1 A 43 43 GLY H H 43 7.422 8.380 -0.958 1
1 374 . 14 1 1 A 43 43 GLY CA C 43 44.382 44.883 -0.501 1
1 375 . 14 1 1 A 43 43 GLY HA2 H 43 3.420 4.020 -0.600 1
1 376 . 14 1 1 A 43 43 GLY HA3 H 43 4.295 4.077 0.218 1
1 377 . 14 1 1 A 43 43 GLY C C 43 172.885 172.439 0.446 1
1 378 . 14 1 1 A 44 44 LEU N N 44 125.007 124.435 0.572 1
1 379 . 14 1 1 A 44 44 LEU H H 44 8.525 8.868 -0.343 1
1 380 . 14 1 1 A 44 44 LEU CA C 44 53.589 53.665 -0.076 1
1 381 . 14 1 1 A 44 44 LEU HA H 44 5.357 4.947 0.410 1
1 382 . 14 1 1 A 44 44 LEU CB C 44 45.602 44.080 1.522 1
1 395 . 14 1 1 A 44 44 LEU C C 44 177.034 175.452 1.582 1
1 396 . 14 1 1 A 45 45 SER N N 45 117.626 121.706 -4.080 1
1 397 . 14 1 1 A 45 45 SER H H 45 9.010 9.004 0.006 1
1 398 . 14 1 1 A 45 45 SER CA C 45 57.065 57.751 -0.686 1
1 399 . 14 1 1 A 45 45 SER HA H 45 4.660 4.960 -0.300 1
1 400 . 14 1 1 A 45 45 SER CB C 45 65.309 64.118 1.191 1
1 403 . 14 1 1 A 45 45 SER C C 45 172.724 173.902 -1.178 1
1 404 . 14 1 1 A 46 46 ILE N N 46 125.604 127.706 -2.102 1
1 405 . 14 1 1 A 46 46 ILE H H 46 8.584 8.925 -0.341 1
1 406 . 14 1 1 A 46 46 ILE CA C 46 59.369 59.996 -0.627 1
1 407 . 14 1 1 A 46 46 ILE HA H 46 5.182 5.007 0.175 1
1 408 . 14 1 1 A 46 46 ILE CB C 46 40.879 40.550 0.329 1
1 421 . 14 1 1 A 46 46 ILE C C 46 174.318 174.679 -0.361 1
1 422 . 14 1 1 A 47 47 ALA N N 47 128.948 128.932 0.016 1
1 423 . 14 1 1 A 47 47 ALA H H 47 8.762 8.889 -0.127 1
1 424 . 14 1 1 A 47 47 ALA CA C 47 51.123 50.832 0.291 1
1 425 . 14 1 1 A 47 47 ALA HA H 47 4.724 5.137 -0.413 1
1 426 . 14 1 1 A 47 47 ALA CB C 47 22.575 21.315 1.260 1
1 430 . 14 1 1 A 47 47 ALA C C 47 175.131 175.509 -0.378 1
1 431 . 14 1 1 A 48 48 VAL N N 48 121.512 123.805 -2.293 1
1 432 . 14 1 1 A 48 48 VAL H H 48 8.640 9.130 -0.490 1
1 433 . 14 1 1 A 48 48 VAL CA C 48 61.770 62.094 -0.324 1
1 434 . 14 1 1 A 48 48 VAL HA H 48 4.749 4.499 0.250 1
1 435 . 14 1 1 A 48 48 VAL CB C 48 33.642 31.777 1.865 1
1 445 . 14 1 1 A 48 48 VAL C C 48 174.870 175.585 -0.715 1
1 446 . 14 1 1 A 49 49 GLU N N 49 126.757 126.774 -0.017 1
1 447 . 14 1 1 A 49 49 GLU H H 49 8.898 8.665 0.233 1
1 448 . 14 1 1 A 49 49 GLU CA C 49 54.457 54.847 -0.390 1
1 449 . 14 1 1 A 49 49 GLU HA H 49 5.003 5.334 -0.331 1
1 450 . 14 1 1 A 49 49 GLU CB C 49 33.209 32.573 0.636 1
1 456 . 14 1 1 A 49 49 GLU C C 49 175.282 176.542 -1.260 1
1 457 . 14 1 1 A 50 50 GLY N N 50 112.668 110.014 2.654 1
1 458 . 14 1 1 A 50 50 GLY H H 50 8.563 8.241 0.322 1
1 459 . 14 1 1 A 50 50 GLY CA C 50 45.534 45.064 0.470 1
1 460 . 14 1 1 A 50 50 GLY HA2 H 50 3.481 3.389 0.092 1
1 461 . 14 1 1 A 50 50 GLY HA3 H 50 3.836 3.971 -0.135 1
1 462 . 14 1 1 A 50 50 GLY C C 50 171.670 174.063 -2.393 1
1 463 . 14 1 1 A 51 51 PRO CA C 51 64.371 64.097 0.274 1
1 464 . 14 1 1 A 51 51 PRO HA H 51 4.309 4.365 -0.056 1
1 465 . 14 1 1 A 51 51 PRO CB C 51 32.183 31.981 0.202 1
1 474 . 14 1 1 A 51 51 PRO C C 51 175.938 175.956 -0.018 1
1 475 . 14 1 1 A 52 52 SER N N 52 109.776 112.244 -2.468 1
1 476 . 14 1 1 A 52 52 SER H H 52 7.281 7.402 -0.121 1
1 477 . 14 1 1 A 52 52 SER CA C 52 56.747 56.340 0.407 1
1 478 . 14 1 1 A 52 52 SER HA H 52 4.688 4.846 -0.158 1
1 479 . 14 1 1 A 52 52 SER CB C 52 65.901 66.360 -0.459 1
1 482 . 14 1 1 A 52 52 SER C C 52 172.748 172.708 0.040 1
1 483 . 14 1 1 A 53 53 LYS N N 53 121.441 124.461 -3.020 1
1 484 . 14 1 1 A 53 53 LYS H H 53 8.607 8.312 0.295 1
1 485 . 14 1 1 A 53 53 LYS CA C 53 56.641 57.002 -0.361 1
1 486 . 14 1 1 A 53 53 LYS HA H 53 4.391 4.390 0.001 1
1 487 . 14 1 1 A 53 53 LYS CB C 53 32.323 32.842 -0.519 1
1 499 . 14 1 1 A 53 53 LYS C C 53 175.721 175.865 -0.144 1
1 500 . 14 1 1 A 54 54 ALA N N 54 129.914 129.581 0.333 1
1 501 . 14 1 1 A 54 54 ALA H H 54 8.941 8.892 0.049 1
1 502 . 14 1 1 A 54 54 ALA CA C 54 50.924 50.034 0.890 1
1 503 . 14 1 1 A 54 54 ALA HA H 54 4.962 5.349 -0.387 1
1 504 . 14 1 1 A 54 54 ALA CB C 54 20.004 21.275 -1.271 1
1 508 . 14 1 1 A 54 54 ALA C C 54 176.618 176.086 0.532 1
1 509 . 14 1 1 A 55 55 GLU N N 55 122.179 122.525 -0.346 1
1 510 . 14 1 1 A 55 55 GLU H H 55 8.153 8.850 -0.697 1
1 511 . 14 1 1 A 55 55 GLU CA C 55 55.689 56.552 -0.863 1
1 512 . 14 1 1 A 55 55 GLU HA H 55 4.569 4.612 -0.043 1
1 513 . 14 1 1 A 55 55 GLU CB C 55 31.003 30.632 0.371 1
1 519 . 14 1 1 A 55 55 GLU C C 55 176.867 175.583 1.284 1
1 520 . 14 1 1 A 56 56 ILE N N 56 127.733 126.436 1.297 1
1 521 . 14 1 1 A 56 56 ILE H H 56 8.948 8.666 0.282 1
1 522 . 14 1 1 A 56 56 ILE CA C 56 61.345 60.430 0.915 1
1 523 . 14 1 1 A 56 56 ILE HA H 56 4.744 5.220 -0.476 1
1 524 . 14 1 1 A 56 56 ILE CB C 56 40.978 41.808 -0.830 1
1 537 . 14 1 1 A 56 56 ILE C C 56 175.675 174.813 0.862 1
1 538 . 14 1 1 A 57 57 THR N N 57 124.172 123.689 0.483 1
1 539 . 14 1 1 A 57 57 THR H H 57 9.410 8.923 0.487 1
1 540 . 14 1 1 A 57 57 THR CA C 57 61.999 61.482 0.517 1
1 541 . 14 1 1 A 57 57 THR HA H 57 4.504 5.028 -0.524 1
1 542 . 14 1 1 A 57 57 THR CB C 57 70.660 70.617 0.043 1
1 548 . 14 1 1 A 57 57 THR C C 57 172.131 172.981 -0.850 1
1 549 . 14 1 1 A 58 58 PHE N N 58 126.429 128.372 -1.943 1
1 550 . 14 1 1 A 58 58 PHE H H 58 8.796 9.095 -0.299 1
1 551 . 14 1 1 A 58 58 PHE CA C 58 56.680 56.356 0.324 1
1 552 . 14 1 1 A 58 58 PHE HA H 58 4.981 5.264 -0.283 1
1 553 . 14 1 1 A 58 58 PHE CB C 58 42.400 42.314 0.086 1
1 566 . 14 1 1 A 58 58 PHE C C 58 173.719 173.287 0.432 1
1 567 . 14 1 1 A 59 59 ASP N N 59 126.210 125.333 0.877 1
1 568 . 14 1 1 A 59 59 ASP H H 59 8.707 8.659 0.048 1
1 569 . 14 1 1 A 59 59 ASP CA C 59 52.784 53.906 -1.122 1
1 570 . 14 1 1 A 59 59 ASP HA H 59 4.677 5.012 -0.335 1
1 571 . 14 1 1 A 59 59 ASP CB C 59 42.738 41.765 0.973 1
1 574 . 14 1 1 A 59 59 ASP C C 59 173.710 175.590 -1.880 1
1 575 . 14 1 1 A 60 60 ASP N N 60 123.675 125.297 -1.622 1
1 576 . 14 1 1 A 60 60 ASP H H 60 8.490 8.899 -0.409 1
1 577 . 14 1 1 A 60 60 ASP CA C 60 53.871 53.362 0.509 1
1 578 . 14 1 1 A 60 60 ASP HA H 60 4.447 5.112 -0.665 1
1 579 . 14 1 1 A 60 60 ASP CB C 60 41.108 42.065 -0.957 1
1 582 . 14 1 1 A 60 60 ASP C C 60 176.691 176.065 0.626 1
1 583 . 14 1 1 A 61 61 HIS N N 61 124.385 119.145 5.240 1
1 584 . 14 1 1 A 61 61 HIS H H 61 8.122 9.124 -1.002 1
1 585 . 14 1 1 A 61 61 HIS CA C 61 55.608 56.541 -0.933 1
1 586 . 14 1 1 A 61 61 HIS HA H 61 4.769 4.156 0.613 1
1 587 . 14 1 1 A 61 61 HIS CB C 61 28.607 28.162 0.445 1
1 594 . 14 1 1 A 61 61 HIS C C 61 175.701 173.734 1.967 1
1 595 . 14 1 1 A 62 62 LYS N N 62 115.195 118.537 -3.342 1
1 596 . 14 1 1 A 62 62 LYS H H 62 9.178 7.538 1.640 1
1 597 . 14 1 1 A 62 62 LYS CA C 62 57.585 54.936 2.649 1
1 598 . 14 1 1 A 62 62 LYS HA H 62 4.028 4.501 -0.473 1
1 599 . 14 1 1 A 62 62 LYS CB C 62 29.373 34.183 -4.810 1
1 611 . 14 1 1 A 63 63 ASN N N 63 116.167 124.051 -7.884 1
1 612 . 14 1 1 A 63 63 ASN H H 63 7.900 8.833 -0.933 1
1 613 . 14 1 1 A 63 63 ASN CA C 63 52.056 52.323 -0.267 1
1 614 . 14 1 1 A 63 63 ASN HA H 63 4.835 4.909 -0.074 1
1 615 . 14 1 1 A 63 63 ASN CB C 63 38.468 38.977 -0.509 1
1 621 . 14 1 1 A 63 63 ASN C C 63 176.634 176.691 -0.057 1
1 622 . 14 1 1 A 64 64 GLY N N 64 108.877 108.309 0.568 1
1 623 . 14 1 1 A 64 64 GLY H H 64 8.718 7.845 0.873 1
1 624 . 14 1 1 A 64 64 GLY CA C 64 45.534 45.691 -0.157 1
1 625 . 14 1 1 A 64 64 GLY HA2 H 64 3.619 4.018 -0.399 1
1 626 . 14 1 1 A 64 64 GLY HA3 H 64 4.247 4.021 0.226 1
1 627 . 14 1 1 A 65 65 SER N N 65 115.229 114.150 1.079 1
1 628 . 14 1 1 A 65 65 SER H H 65 7.962 7.674 0.288 1
1 629 . 14 1 1 A 65 65 SER CA C 65 57.108 58.218 -1.110 1
1 630 . 14 1 1 A 65 65 SER HA H 65 5.531 4.407 1.124 1
1 631 . 14 1 1 A 65 65 SER CB C 65 67.290 64.430 2.860 1
1 634 . 14 1 1 A 66 66 CYS N N 66 118.007 120.223 -2.216 1
1 635 . 14 1 1 A 66 66 CYS H H 66 8.807 8.475 0.332 1
1 636 . 14 1 1 A 66 66 CYS CA C 66 56.476 58.787 -2.311 1
1 637 . 14 1 1 A 66 66 CYS HA H 66 4.672 4.460 0.212 1
1 638 . 14 1 1 A 66 66 CYS CB C 66 31.077 28.965 2.112 1
1 641 . 14 1 1 A 67 67 GLY N N 67 112.448 107.812 4.636 1
1 642 . 14 1 1 A 67 67 GLY H H 67 8.679 8.153 0.526 1
1 643 . 14 1 1 A 67 67 GLY CA C 67 45.004 44.243 0.761 1
1 644 . 14 1 1 A 67 67 GLY HA2 H 67 3.629 3.902 -0.273 1
1 645 . 14 1 1 A 67 67 GLY HA3 H 67 4.645 3.948 0.697 1
1 646 . 14 1 1 A 67 67 GLY C C 67 171.754 173.226 -1.472 1
1 647 . 14 1 1 A 68 68 VAL N N 68 123.840 121.872 1.968 1
1 648 . 14 1 1 A 68 68 VAL H H 68 8.486 8.154 0.332 1
1 649 . 14 1 1 A 68 68 VAL CA C 68 60.143 62.189 -2.046 1
1 650 . 14 1 1 A 68 68 VAL HA H 68 4.579 4.496 0.083 1
1 651 . 14 1 1 A 68 68 VAL CB C 68 33.946 32.611 1.335 1
1 661 . 14 1 1 A 68 68 VAL C C 68 174.396 175.391 -0.995 1
1 662 . 14 1 1 A 69 69 SER N N 69 119.414 121.054 -1.640 1
1 663 . 14 1 1 A 69 69 SER H H 69 8.450 8.462 -0.012 1
1 664 . 14 1 1 A 69 69 SER CA C 69 56.169 55.980 0.189 1
1 665 . 14 1 1 A 69 69 SER HA H 69 5.442 5.497 -0.055 1
1 666 . 14 1 1 A 69 69 SER CB C 69 65.640 65.890 -0.250 1
1 669 . 14 1 1 A 69 69 SER C C 69 173.189 173.636 -0.447 1
1 670 . 14 1 1 A 70 70 TYR N N 70 119.504 118.451 1.053 1
1 671 . 14 1 1 A 70 70 TYR H H 70 8.771 8.965 -0.194 1
1 672 . 14 1 1 A 70 70 TYR CA C 70 54.962 55.815 -0.853 1
1 673 . 14 1 1 A 70 70 TYR HA H 70 5.922 5.915 0.007 1
1 674 . 14 1 1 A 70 70 TYR CB C 70 42.710 42.351 0.359 1
1 685 . 14 1 1 A 70 70 TYR C C 70 173.056 173.438 -0.382 1
1 686 . 14 1 1 A 71 71 ILE N N 71 117.727 122.479 -4.752 1
1 687 . 14 1 1 A 71 71 ILE H H 71 8.196 8.744 -0.548 1
1 688 . 14 1 1 A 71 71 ILE CA C 71 60.132 60.246 -0.114 1
1 689 . 14 1 1 A 71 71 ILE HA H 71 4.161 4.597 -0.436 1
1 690 . 14 1 1 A 71 71 ILE CB C 71 40.790 41.158 -0.368 1
1 703 . 14 1 1 A 71 71 ILE C C 71 175.114 174.771 0.343 1
1 704 . 14 1 1 A 72 72 ALA N N 72 133.145 130.008 3.137 1
1 705 . 14 1 1 A 72 72 ALA H H 72 9.466 8.671 0.795 1
1 706 . 14 1 1 A 72 72 ALA CA C 72 50.261 51.286 -1.025 1
1 707 . 14 1 1 A 72 72 ALA HA H 72 4.567 4.379 0.188 1
1 708 . 14 1 1 A 72 72 ALA CB C 72 19.699 18.044 1.655 1
1 712 . 14 1 1 A 72 72 ALA C C 72 177.170 177.892 -0.722 1
1 713 . 14 1 1 A 73 73 GLN N N 73 120.464 124.885 -4.421 1
1 714 . 14 1 1 A 73 73 GLN H H 73 8.649 8.586 0.063 1
1 715 . 14 1 1 A 73 73 GLN CA C 73 57.614 59.091 -1.477 1
1 716 . 14 1 1 A 73 73 GLN HA H 73 4.083 4.094 -0.011 1
1 717 . 14 1 1 A 73 73 GLN CB C 73 29.667 29.018 0.649 1
1 726 . 14 1 1 A 73 73 GLN C C 73 175.643 176.585 -0.942 1
1 727 . 14 1 1 A 74 74 GLU N N 74 114.557 117.859 -3.302 1
1 728 . 14 1 1 A 74 74 GLU H H 74 7.102 8.204 -1.102 1
1 729 . 14 1 1 A 74 74 GLU CA C 74 52.242 52.924 -0.682 1
1 730 . 14 1 1 A 74 74 GLU HA H 74 4.988 4.806 0.182 1
1 731 . 14 1 1 A 74 74 GLU CB C 74 31.732 30.708 1.024 1
1 737 . 14 1 1 A 74 74 GLU C C 74 174.462 174.078 0.384 1
1 738 . 14 1 1 A 75 75 PRO CA C 75 63.007 63.314 -0.307 1
1 739 . 14 1 1 A 75 75 PRO HA H 75 4.335 4.684 -0.349 1
1 740 . 14 1 1 A 75 75 PRO CB C 75 32.866 32.918 -0.052 1
1 749 . 14 1 1 A 75 75 PRO C C 75 174.572 175.908 -1.336 1
1 750 . 14 1 1 A 76 76 GLY N N 76 107.234 107.835 -0.601 1
1 751 . 14 1 1 A 76 76 GLY H H 76 9.012 8.517 0.495 1
1 752 . 14 1 1 A 76 76 GLY CA C 76 44.615 44.995 -0.380 1
1 753 . 14 1 1 A 76 76 GLY HA2 H 76 3.850 4.170 -0.320 1
1 754 . 14 1 1 A 76 76 GLY HA3 H 76 4.201 4.199 0.002 1
1 755 . 14 1 1 A 76 76 GLY C C 76 171.133 173.114 -1.981 1
1 756 . 14 1 1 A 77 77 ASN N N 77 119.292 117.182 2.110 1
1 757 . 14 1 1 A 77 77 ASN H H 77 8.549 8.554 -0.005 1
1 758 . 14 1 1 A 77 77 ASN CA C 77 52.364 52.050 0.314 1
1 759 . 14 1 1 A 77 77 ASN HA H 77 5.369 5.248 0.121 1
1 760 . 14 1 1 A 77 77 ASN CB C 77 39.176 38.522 0.654 1
1 766 . 14 1 1 A 77 77 ASN C C 77 174.470 173.867 0.603 1
1 767 . 14 1 1 A 78 78 TYR N N 78 123.809 124.916 -1.107 1
1 768 . 14 1 1 A 78 78 TYR H H 78 9.094 9.025 0.069 1
1 769 . 14 1 1 A 78 78 TYR CA C 78 56.818 57.676 -0.858 1
1 770 . 14 1 1 A 78 78 TYR HA H 78 4.859 4.934 -0.075 1
1 771 . 14 1 1 A 78 78 TYR CB C 78 39.860 39.709 0.151 1
1 782 . 14 1 1 A 78 78 TYR C C 78 174.184 174.896 -0.712 1
1 783 . 14 1 1 A 79 79 GLU N N 79 122.250 125.776 -3.526 1
1 784 . 14 1 1 A 79 79 GLU H H 79 9.259 9.173 0.086 1
1 785 . 14 1 1 A 79 79 GLU CA C 79 54.692 55.479 -0.787 1
1 786 . 14 1 1 A 79 79 GLU HA H 79 5.313 5.097 0.216 1
1 787 . 14 1 1 A 79 79 GLU CB C 79 32.159 30.810 1.349 1
1 793 . 14 1 1 A 79 79 GLU C C 79 176.631 174.993 1.638 1
1 794 . 14 1 1 A 80 80 VAL N N 80 131.418 127.951 3.467 1
1 795 . 14 1 1 A 80 80 VAL H H 80 9.761 8.472 1.289 1
1 796 . 14 1 1 A 80 80 VAL CA C 80 61.522 62.077 -0.555 1
1 797 . 14 1 1 A 80 80 VAL HA H 80 4.801 4.792 0.009 1
1 798 . 14 1 1 A 80 80 VAL CB C 80 32.818 31.743 1.075 1
1 808 . 14 1 1 A 80 80 VAL C C 80 175.573 175.499 0.074 1
1 809 . 14 1 1 A 81 81 SER N N 81 123.238 123.859 -0.621 1
1 810 . 14 1 1 A 81 81 SER H H 81 9.457 9.285 0.172 1
1 811 . 14 1 1 A 81 81 SER CA C 81 57.589 58.062 -0.473 1
1 812 . 14 1 1 A 81 81 SER HA H 81 5.167 5.066 0.101 1
1 813 . 14 1 1 A 81 81 SER CB C 81 64.882 64.036 0.846 1
1 816 . 14 1 1 A 81 81 SER C C 81 173.514 174.163 -0.649 1
1 817 . 14 1 1 A 82 82 ILE N N 82 126.261 127.692 -1.431 1
1 818 . 14 1 1 A 82 82 ILE H H 82 9.642 9.255 0.387 1
1 819 . 14 1 1 A 82 82 ILE CA C 82 60.992 59.875 1.117 1
1 820 . 14 1 1 A 82 82 ILE HA H 82 4.667 5.313 -0.646 1
1 821 . 14 1 1 A 82 82 ILE CB C 82 40.692 40.797 -0.105 1
1 834 . 14 1 1 A 82 82 ILE C C 82 173.498 175.325 -1.827 1
1 835 . 14 1 1 A 83 83 LYS N N 83 123.477 124.609 -1.132 1
1 836 . 14 1 1 A 83 83 LYS H H 83 8.720 8.777 -0.057 1
1 837 . 14 1 1 A 83 83 LYS CA C 83 53.730 54.987 -1.257 1
1 838 . 14 1 1 A 83 83 LYS HA H 83 5.139 5.352 -0.213 1
1 839 . 14 1 1 A 83 83 LYS CB C 83 36.351 35.661 0.690 1
1 851 . 14 1 1 A 83 83 LYS C C 83 174.914 174.573 0.341 1
1 852 . 14 1 1 A 84 84 PHE N N 84 122.298 126.081 -3.783 1
1 853 . 14 1 1 A 84 84 PHE H H 84 9.154 9.166 -0.012 1
1 854 . 14 1 1 A 84 84 PHE CA C 84 56.057 57.347 -1.290 1
1 855 . 14 1 1 A 84 84 PHE HA H 84 5.238 4.826 0.412 1
1 856 . 14 1 1 A 84 84 PHE CB C 84 43.136 40.783 2.353 1
1 867 . 14 1 1 A 84 84 PHE C C 84 175.864 174.919 0.945 1
1 868 . 14 1 1 A 85 85 ASN N N 85 127.936 125.213 2.723 1
1 869 . 14 1 1 A 85 85 ASN H H 85 9.040 9.204 -0.164 1
1 870 . 14 1 1 A 85 85 ASN CA C 85 54.448 54.419 0.029 1
1 871 . 14 1 1 A 85 85 ASN HA H 85 4.206 4.180 0.026 1
1 872 . 14 1 1 A 85 85 ASN CB C 85 36.554 36.630 -0.076 1
1 878 . 14 1 1 A 85 85 ASN C C 85 174.620 174.168 0.452 1
1 879 . 14 1 1 A 86 86 ASP N N 86 108.763 109.935 -1.172 1
1 880 . 14 1 1 A 86 86 ASP H H 86 8.828 8.405 0.423 1
1 881 . 14 1 1 A 86 86 ASP CA C 86 56.405 55.531 0.874 1
1 882 . 14 1 1 A 86 86 ASP HA H 86 3.946 4.162 -0.216 1
1 883 . 14 1 1 A 86 86 ASP CB C 86 40.367 39.163 1.204 1
1 886 . 14 1 1 A 86 86 ASP C C 86 174.169 174.545 -0.376 1
1 887 . 14 1 1 A 87 87 GLU N N 87 119.289 117.224 2.065 1
1 888 . 14 1 1 A 87 87 GLU H H 87 7.510 7.597 -0.087 1
1 889 . 14 1 1 A 87 87 GLU CA C 87 54.483 54.865 -0.382 1
1 890 . 14 1 1 A 87 87 GLU HA H 87 4.743 4.872 -0.129 1
1 891 . 14 1 1 A 87 87 GLU CB C 87 32.763 33.398 -0.635 1
1 897 . 14 1 1 A 87 87 GLU C C 87 175.825 175.383 0.442 1
1 898 . 14 1 1 A 88 88 HIS N N 88 123.465 120.814 2.651 1
1 899 . 14 1 1 A 88 88 HIS H H 88 8.822 9.124 -0.302 1
1 900 . 14 1 1 A 88 88 HIS CA C 88 59.117 55.507 3.610 1
1 901 . 14 1 1 A 88 88 HIS HA H 88 4.511 4.865 -0.354 1
1 902 . 14 1 1 A 88 88 HIS CB C 88 32.254 28.613 3.641 1
1 909 . 14 1 1 A 88 88 HIS C C 88 177.352 175.127 2.225 1
1 910 . 14 1 1 A 89 89 ILE N N 89 117.945 123.245 -5.300 1
1 911 . 14 1 1 A 89 89 ILE H H 89 8.131 8.496 -0.365 1
1 912 . 14 1 1 A 89 89 ILE CA C 89 61.121 60.173 0.948 1
1 913 . 14 1 1 A 89 89 ILE HA H 89 4.519 4.196 0.323 1
1 914 . 14 1 1 A 89 89 ILE CB C 89 35.538 37.718 -2.180 1
1 927 . 14 1 1 A 89 89 ILE C C 89 173.831 176.538 -2.707 1
1 928 . 14 1 1 A 90 90 PRO CA C 90 66.545 64.337 2.208 1
1 929 . 14 1 1 A 90 90 PRO HA H 90 4.223 4.546 -0.323 1
1 930 . 14 1 1 A 90 90 PRO CB C 90 31.693 31.568 0.125 1
1 939 . 14 1 1 A 90 90 PRO C C 90 177.046 176.560 0.486 1
1 940 . 14 1 1 A 91 91 GLU N N 91 113.835 117.063 -3.228 1
1 941 . 14 1 1 A 91 91 GLU H H 91 8.223 8.167 0.056 1
1 942 . 14 1 1 A 91 91 GLU CA C 91 57.913 56.362 1.551 1
1 943 . 14 1 1 A 91 91 GLU HA H 91 3.733 4.374 -0.641 1
1 944 . 14 1 1 A 91 91 GLU CB C 91 27.681 31.307 -3.626 1
1 950 . 14 1 1 A 91 91 GLU C C 91 173.469 175.810 -2.341 1
1 951 . 14 1 1 A 92 92 SER N N 92 111.462 112.895 -1.433 1
1 952 . 14 1 1 A 92 92 SER H H 92 7.489 7.526 -0.037 1
1 953 . 14 1 1 A 92 92 SER CA C 92 54.873 55.162 -0.289 1
1 954 . 14 1 1 A 92 92 SER HA H 92 4.427 4.440 -0.013 1
1 955 . 14 1 1 A 92 92 SER CB C 92 63.317 64.517 -1.200 1
1 958 . 14 1 1 A 92 92 SER C C 92 174.195 172.775 1.420 1
1 959 . 14 1 1 A 93 93 PRO CA C 93 62.333 62.465 -0.132 1
1 960 . 14 1 1 A 93 93 PRO HA H 93 5.483 4.745 0.738 1
1 961 . 14 1 1 A 93 93 PRO CB C 93 34.386 32.728 1.658 1
1 970 . 14 1 1 A 93 93 PRO C C 93 176.059 174.838 1.221 1
1 971 . 14 1 1 A 94 94 TYR N N 94 122.179 119.268 2.911 1
1 972 . 14 1 1 A 94 94 TYR H H 94 9.372 8.934 0.438 1
1 973 . 14 1 1 A 94 94 TYR CA C 94 57.101 56.797 0.304 1
1 974 . 14 1 1 A 94 94 TYR HA H 94 4.531 5.156 -0.625 1
1 975 . 14 1 1 A 94 94 TYR CB C 94 40.027 41.625 -1.598 1
1 986 . 14 1 1 A 94 94 TYR C C 94 175.281 174.284 0.997 1
1 987 . 14 1 1 A 95 95 LEU N N 95 126.428 124.570 1.858 1
1 988 . 14 1 1 A 95 95 LEU H H 95 8.807 8.711 0.096 1
1 989 . 14 1 1 A 95 95 LEU CA C 95 54.200 53.658 0.542 1
1 990 . 14 1 1 A 95 95 LEU HA H 95 4.981 5.192 -0.211 1
1 991 . 14 1 1 A 95 95 LEU CB C 95 41.894 44.585 -2.691 1
1 1004 . 14 1 1 A 95 95 LEU C C 95 176.295 174.546 1.749 1
1 1005 . 14 1 1 A 96 96 VAL N N 96 130.944 127.974 2.970 1
1 1006 . 14 1 1 A 96 96 VAL H H 96 9.629 9.090 0.539 1
1 1007 . 14 1 1 A 96 96 VAL CA C 96 59.813 59.469 0.344 1
1 1008 . 14 1 1 A 96 96 VAL HA H 96 4.469 4.601 -0.132 1
1 1009 . 14 1 1 A 96 96 VAL CB C 96 35.052 32.987 2.065 1
1 1019 . 14 1 1 A 96 96 VAL C C 96 173.734 174.766 -1.032 1
1 1020 . 14 1 1 A 97 97 PRO CA C 97 62.379 62.378 0.001 1
1 1021 . 14 1 1 A 97 97 PRO HA H 97 5.016 4.774 0.242 1
1 1022 . 14 1 1 A 97 97 PRO CB C 97 32.163 29.808 2.355 1
1 1031 . 14 1 1 A 97 97 PRO C C 97 175.950 176.513 -0.563 1
1 1032 . 14 1 1 A 98 98 VAL N N 98 125.524 123.731 1.793 1
1 1033 . 14 1 1 A 98 98 VAL H H 98 9.196 8.739 0.457 1
1 1034 . 14 1 1 A 98 98 VAL CA C 98 61.345 62.881 -1.536 1
1 1035 . 14 1 1 A 98 98 VAL HA H 98 4.411 4.686 -0.275 1
1 1036 . 14 1 1 A 98 98 VAL CB C 98 32.037 32.268 -0.231 1
1 1046 . 14 1 1 A 98 98 VAL C C 98 176.996 176.212 0.784 1
1 1047 . 14 1 1 A 99 99 ILE N N 99 124.035 122.450 1.585 1
1 1048 . 14 1 1 A 99 99 ILE H H 99 8.392 8.782 -0.390 1
1 1049 . 14 1 1 A 99 99 ILE CA C 99 59.802 58.575 1.227 1
1 1050 . 14 1 1 A 99 99 ILE HA H 99 4.651 5.091 -0.440 1
1 1051 . 14 1 1 A 99 99 ILE CB C 99 40.609 41.925 -1.316 1
1 1064 . 14 1 1 A 99 99 ILE C C 99 175.482 174.282 1.200 1
1 1065 . 14 1 1 A 100 100 ALA N N 100 125.837 124.991 0.846 1
1 1066 . 14 1 1 A 100 100 ALA H H 100 8.714 8.535 0.179 1
1 1067 . 14 1 1 A 100 100 ALA CA C 100 50.416 49.487 0.929 1
1 1068 . 14 1 1 A 100 100 ALA HA H 100 4.603 4.620 -0.017 1
1 1069 . 14 1 1 A 100 100 ALA CB C 100 18.088 19.795 -1.707 1
1 1073 . 14 1 1 A 100 100 ALA C C 100 175.264 176.290 -1.026 1
1 1074 . 14 1 1 A 101 101 PRO CA C 101 63.104 62.809 0.295 1
1 1075 . 14 1 1 A 101 101 PRO HA H 101 4.483 4.732 -0.249 1
1 1076 . 14 1 1 A 101 101 PRO CB C 101 32.222 31.692 0.530 1
1 1085 . 14 1 1 A 101 101 PRO C C 101 176.976 175.364 1.612 1
1 1086 . 14 1 1 A 102 102 SER N N 102 116.530 118.259 -1.729 1
1 1087 . 14 1 1 A 102 102 SER H H 102 8.527 8.767 -0.240 1
1 1088 . 14 1 1 A 102 102 SER CA C 102 58.283 57.128 1.155 1
1 1089 . 14 1 1 A 102 102 SER HA H 102 4.433 4.984 -0.551 1
1 1090 . 14 1 1 A 102 102 SER CB C 102 64.078 64.913 -0.835 1
1 1093 . 14 1 1 A 102 102 SER C C 102 174.510 172.321 2.189 1
1 1094 . 14 1 1 A 103 103 ASP N N 103 123.018 127.215 -4.197 1
1 1095 . 14 1 1 A 103 103 ASP H H 103 8.450 8.943 -0.493 1
1 1096 . 14 1 1 A 103 103 ASP CA C 103 54.431 52.778 1.653 1
1 1097 . 14 1 1 A 103 103 ASP HA H 103 4.654 5.410 -0.756 1
1 1098 . 14 1 1 A 103 103 ASP CB C 103 41.226 44.941 -3.715 1
1 1101 . 14 1 1 A 103 103 ASP C C 103 175.889 173.748 2.141 1
1 1102 . 14 1 1 A 104 104 ASP N N 104 120.896 123.313 -2.417 1
1 1103 . 14 1 1 A 104 104 ASP H H 104 8.264 9.025 -0.761 1
1 1104 . 14 1 1 A 104 104 ASP CA C 104 54.283 52.049 2.234 1
1 1105 . 14 1 1 A 104 104 ASP HA H 104 4.601 5.184 -0.583 1
1 1106 . 14 1 1 A 104 104 ASP CB C 104 41.183 44.974 -3.791 1
1 1109 . 14 1 1 A 104 104 ASP C C 104 175.065 175.379 -0.314 1
1 1 . 15 1 1 A 7 7 GLY N N 7 110.767 108.983 1.784 1
1 2 . 15 1 1 A 7 7 GLY H H 7 8.421 8.412 0.009 1
1 3 . 15 1 1 A 7 7 GLY CA C 7 45.393 45.694 -0.301 1
1 4 . 15 1 1 A 7 7 GLY HA2 H 7 4.003 3.988 0.015 1
1 5 . 15 1 1 A 7 7 GLY HA3 H 7 4.003 4.016 -0.013 1
1 6 . 15 1 1 A 7 7 GLY C C 7 174.160 175.937 -1.777 1
1 7 . 15 1 1 A 8 8 GLU N N 8 120.419 121.177 -0.758 1
1 8 . 15 1 1 A 8 8 GLU H H 8 8.320 8.494 -0.174 1
1 9 . 15 1 1 A 8 8 GLU CA C 8 56.499 58.662 -2.163 1
1 10 . 15 1 1 A 8 8 GLU HA H 8 4.390 4.093 0.297 1
1 11 . 15 1 1 A 8 8 GLU CB C 8 30.615 30.306 0.309 1
1 17 . 15 1 1 A 8 8 GLU C C 8 176.858 177.239 -0.381 1
1 18 . 15 1 1 A 9 9 GLY N N 9 109.731 106.073 3.658 1
1 19 . 15 1 1 A 9 9 GLY H H 9 8.522 7.992 0.530 1
1 20 . 15 1 1 A 9 9 GLY CA C 9 45.110 44.519 0.591 1
1 21 . 15 1 1 A 9 9 GLY HA2 H 9 4.090 4.100 -0.010 1
1 22 . 15 1 1 A 9 9 GLY HA3 H 9 3.931 4.102 -0.171 1
1 23 . 15 1 1 A 9 9 GLY C C 9 173.933 172.680 1.253 1
1 24 . 15 1 1 A 10 10 GLY N N 10 107.139 107.985 -0.846 1
1 25 . 15 1 1 A 10 10 GLY H H 10 8.393 8.000 0.393 1
1 26 . 15 1 1 A 10 10 GLY CA C 10 45.039 46.136 -1.097 1
1 27 . 15 1 1 A 10 10 GLY HA2 H 10 3.868 4.256 -0.388 1
1 28 . 15 1 1 A 10 10 GLY HA3 H 10 4.528 4.295 0.233 1
1 29 . 15 1 1 A 10 10 GLY C C 10 174.561 173.760 0.801 1
1 30 . 15 1 1 A 11 11 ALA N N 11 122.466 128.032 -5.566 1
1 31 . 15 1 1 A 11 11 ALA H H 11 8.875 8.850 0.025 1
1 32 . 15 1 1 A 11 11 ALA CA C 11 55.391 54.932 0.459 1
1 33 . 15 1 1 A 11 11 ALA HA H 11 3.803 4.167 -0.364 1
1 34 . 15 1 1 A 11 11 ALA CB C 11 19.583 18.806 0.777 1
1 38 . 15 1 1 A 11 11 ALA C C 11 178.242 179.827 -1.585 1
1 39 . 15 1 1 A 12 12 HIS N N 12 111.513 115.906 -4.393 1
1 40 . 15 1 1 A 12 12 HIS H H 12 8.290 8.479 -0.189 1
1 41 . 15 1 1 A 12 12 HIS CA C 12 57.847 59.164 -1.317 1
1 42 . 15 1 1 A 12 12 HIS HA H 12 4.443 4.368 0.075 1
1 43 . 15 1 1 A 12 12 HIS CB C 12 29.321 28.837 0.484 1
1 50 . 15 1 1 A 12 12 HIS C C 12 176.189 177.628 -1.439 1
1 51 . 15 1 1 A 13 13 LYS N N 13 118.111 119.701 -1.590 1
1 52 . 15 1 1 A 13 13 LYS H H 13 7.558 7.130 0.428 1
1 53 . 15 1 1 A 13 13 LYS CA C 13 54.660 58.920 -4.260 1
1 54 . 15 1 1 A 13 13 LYS HA H 13 4.202 3.847 0.355 1
1 55 . 15 1 1 A 13 13 LYS CB C 13 32.655 32.041 0.614 1
1 67 . 15 1 1 A 13 13 LYS C C 13 176.721 177.529 -0.808 1
1 68 . 15 1 1 A 14 14 VAL N N 14 123.625 119.357 4.268 1
1 69 . 15 1 1 A 14 14 VAL H H 14 7.499 7.165 0.334 1
1 70 . 15 1 1 A 14 14 VAL CA C 14 63.247 63.474 -0.227 1
1 71 . 15 1 1 A 14 14 VAL HA H 14 3.907 3.718 0.189 1
1 72 . 15 1 1 A 14 14 VAL CB C 14 31.649 31.803 -0.154 1
1 82 . 15 1 1 A 15 15 ARG H H 15 8.106 8.308 -0.202 1
1 83 . 15 1 1 A 15 15 ARG CA C 15 53.791 54.232 -0.441 1
1 84 . 15 1 1 A 15 15 ARG HA H 15 5.021 5.240 -0.219 1
1 85 . 15 1 1 A 15 15 ARG CB C 15 34.207 34.539 -0.332 1
1 94 . 15 1 1 A 16 16 ALA N N 16 123.795 124.104 -0.309 1
1 95 . 15 1 1 A 16 16 ALA H H 16 8.875 8.996 -0.121 1
1 96 . 15 1 1 A 16 16 ALA CA C 16 51.092 50.895 0.197 1
1 97 . 15 1 1 A 16 16 ALA HA H 16 5.569 5.384 0.185 1
1 98 . 15 1 1 A 16 16 ALA CB C 16 23.845 21.831 2.014 1
1 102 . 15 1 1 A 17 17 GLY N N 17 106.516 109.259 -2.743 1
1 103 . 15 1 1 A 17 17 GLY H H 17 8.616 8.311 0.305 1
1 104 . 15 1 1 A 17 17 GLY CA C 17 46.205 45.360 0.845 1
1 105 . 15 1 1 A 17 17 GLY HA2 H 17 4.289 4.417 -0.128 1
1 106 . 15 1 1 A 17 17 GLY HA3 H 17 4.226 4.428 -0.202 1
1 107 . 15 1 1 A 18 18 GLY N N 18 111.804 109.059 2.745 1
1 108 . 15 1 1 A 18 18 GLY H H 18 8.816 8.499 0.317 1
1 109 . 15 1 1 A 18 18 GLY CA C 18 44.595 45.485 -0.890 1
1 110 . 15 1 1 A 18 18 GLY HA2 H 18 4.105 4.241 -0.136 1
1 111 . 15 1 1 A 18 18 GLY HA3 H 18 4.105 4.295 -0.190 1
1 112 . 15 1 1 A 19 19 PRO CA C 19 65.526 64.272 1.254 1
1 113 . 15 1 1 A 19 19 PRO HA H 19 4.335 4.458 -0.123 1
1 114 . 15 1 1 A 19 19 PRO CB C 19 31.790 31.778 0.012 1
1 123 . 15 1 1 A 19 19 PRO C C 19 179.208 177.632 1.576 1
1 124 . 15 1 1 A 20 20 GLY N N 20 103.234 106.591 -3.357 1
1 125 . 15 1 1 A 20 20 GLY H H 20 9.282 8.399 0.883 1
1 126 . 15 1 1 A 20 20 GLY CA C 20 46.361 46.226 0.135 1
1 127 . 15 1 1 A 20 20 GLY HA2 H 20 3.214 3.993 -0.779 1
1 128 . 15 1 1 A 20 20 GLY HA3 H 20 4.184 4.122 0.062 1
1 129 . 15 1 1 A 20 20 GLY C C 20 172.711 175.906 -3.195 1
1 130 . 15 1 1 A 21 21 LEU N N 21 116.307 122.878 -6.571 1
1 131 . 15 1 1 A 21 21 LEU H H 21 7.559 8.203 -0.644 1
1 132 . 15 1 1 A 21 21 LEU CA C 21 53.980 57.598 -3.618 1
1 133 . 15 1 1 A 21 21 LEU HA H 21 4.166 3.898 0.268 1
1 134 . 15 1 1 A 21 21 LEU CB C 21 40.135 41.461 -1.326 1
1 147 . 15 1 1 A 21 21 LEU C C 21 175.859 178.844 -2.985 1
1 148 . 15 1 1 A 22 22 GLU N N 22 119.926 118.921 1.005 1
1 149 . 15 1 1 A 22 22 GLU H H 22 7.927 7.631 0.296 1
1 150 . 15 1 1 A 22 22 GLU CA C 22 57.490 59.308 -1.818 1
1 151 . 15 1 1 A 22 22 GLU HA H 22 4.511 4.198 0.313 1
1 152 . 15 1 1 A 22 22 GLU CB C 22 32.057 30.299 1.758 1
1 158 . 15 1 1 A 22 22 GLU C C 22 175.521 176.669 -1.148 1
1 159 . 15 1 1 A 23 23 ARG N N 23 116.789 117.917 -1.128 1
1 160 . 15 1 1 A 23 23 ARG H H 23 8.340 7.738 0.602 1
1 161 . 15 1 1 A 23 23 ARG CA C 23 56.464 55.342 1.122 1
1 162 . 15 1 1 A 23 23 ARG HA H 23 4.688 4.791 -0.103 1
1 163 . 15 1 1 A 23 23 ARG CB C 23 32.571 33.875 -1.304 1
1 174 . 15 1 1 A 23 23 ARG C C 23 173.992 174.686 -0.694 1
1 175 . 15 1 1 A 24 24 GLY N N 24 108.837 111.781 -2.944 1
1 176 . 15 1 1 A 24 24 GLY H H 24 8.736 8.717 0.019 1
1 177 . 15 1 1 A 24 24 GLY CA C 24 43.943 44.617 -0.674 1
1 178 . 15 1 1 A 24 24 GLY HA2 H 24 3.510 4.401 -0.891 1
1 179 . 15 1 1 A 24 24 GLY HA3 H 24 4.679 4.454 0.225 1
1 180 . 15 1 1 A 24 24 GLY C C 24 171.930 172.642 -0.712 1
1 181 . 15 1 1 A 25 25 GLU N N 25 122.126 120.927 1.199 1
1 182 . 15 1 1 A 25 25 GLU H H 25 9.429 8.529 0.900 1
1 183 . 15 1 1 A 25 25 GLU CA C 25 54.209 54.708 -0.499 1
1 184 . 15 1 1 A 25 25 GLU HA H 25 5.049 5.117 -0.068 1
1 185 . 15 1 1 A 25 25 GLU CB C 25 32.945 33.596 -0.651 1
1 191 . 15 1 1 A 25 25 GLU C C 25 175.853 175.710 0.143 1
1 192 . 15 1 1 A 26 26 ALA N N 26 128.654 127.102 1.552 1
1 193 . 15 1 1 A 26 26 ALA H H 26 8.518 8.755 -0.237 1
1 194 . 15 1 1 A 26 26 ALA CA C 26 53.187 53.922 -0.735 1
1 195 . 15 1 1 A 26 26 ALA HA H 26 3.855 4.245 -0.390 1
1 196 . 15 1 1 A 26 26 ALA CB C 26 17.420 18.317 -0.897 1
1 200 . 15 1 1 A 26 26 ALA C C 26 177.837 178.393 -0.556 1
1 201 . 15 1 1 A 27 27 GLY N N 27 108.210 110.765 -2.555 1
1 202 . 15 1 1 A 27 27 GLY H H 27 8.583 9.113 -0.530 1
1 203 . 15 1 1 A 27 27 GLY CA C 27 45.619 45.454 0.165 1
1 204 . 15 1 1 A 27 27 GLY HA2 H 27 3.364 3.901 -0.537 1
1 205 . 15 1 1 A 27 27 GLY HA3 H 27 4.158 3.906 0.252 1
1 206 . 15 1 1 A 27 27 GLY C C 27 173.084 173.492 -0.408 1
1 207 . 15 1 1 A 28 28 VAL N N 28 122.974 122.034 0.940 1
1 208 . 15 1 1 A 28 28 VAL H H 28 7.878 7.571 0.307 1
1 209 . 15 1 1 A 28 28 VAL CA C 28 59.182 58.467 0.715 1
1 210 . 15 1 1 A 28 28 VAL HA H 28 4.510 4.464 0.046 1
1 211 . 15 1 1 A 28 28 VAL CB C 28 34.549 34.666 -0.117 1
1 221 . 15 1 1 A 28 28 VAL C C 28 174.171 174.306 -0.135 1
1 222 . 15 1 1 A 29 29 PRO CA C 29 64.354 62.123 2.231 1
1 223 . 15 1 1 A 29 29 PRO HA H 29 4.064 4.809 -0.745 1
1 224 . 15 1 1 A 29 29 PRO CB C 29 31.464 31.089 0.375 1
1 233 . 15 1 1 A 29 29 PRO C C 29 174.718 175.562 -0.844 1
1 234 . 15 1 1 A 30 30 ALA N N 30 131.821 126.990 4.831 1
1 235 . 15 1 1 A 30 30 ALA H H 30 8.990 8.281 0.709 1
1 236 . 15 1 1 A 30 30 ALA CA C 30 50.482 51.104 -0.622 1
1 237 . 15 1 1 A 30 30 ALA HA H 30 4.558 4.566 -0.008 1
1 238 . 15 1 1 A 30 30 ALA CB C 30 18.793 19.640 -0.847 1
1 242 . 15 1 1 A 30 30 ALA C C 30 176.319 176.954 -0.635 1
1 243 . 15 1 1 A 31 31 GLU N N 31 119.523 121.484 -1.961 1
1 244 . 15 1 1 A 31 31 GLU H H 31 8.273 8.727 -0.454 1
1 245 . 15 1 1 A 31 31 GLU CA C 31 55.261 55.126 0.135 1
1 246 . 15 1 1 A 31 31 GLU HA H 31 5.290 5.566 -0.276 1
1 247 . 15 1 1 A 31 31 GLU CB C 31 33.484 32.584 0.900 1
1 253 . 15 1 1 A 31 31 GLU C C 31 176.617 175.878 0.739 1
1 254 . 15 1 1 A 32 32 PHE N N 32 115.139 117.785 -2.646 1
1 255 . 15 1 1 A 32 32 PHE H H 32 8.905 8.277 0.628 1
1 256 . 15 1 1 A 32 32 PHE CA C 32 57.490 55.362 2.128 1
1 257 . 15 1 1 A 32 32 PHE HA H 32 5.031 5.556 -0.525 1
1 258 . 15 1 1 A 32 32 PHE CB C 32 39.989 41.859 -1.870 1
1 271 . 15 1 1 A 32 32 PHE C C 32 172.714 173.060 -0.346 1
1 272 . 15 1 1 A 33 33 SER CA C 33 57.324 58.206 -0.882 1
1 273 . 15 1 1 A 33 33 SER HA H 33 5.404 5.012 0.392 1
1 274 . 15 1 1 A 33 33 SER CB C 33 66.623 64.688 1.935 1
1 277 . 15 1 1 A 34 34 ILE N N 34 127.688 123.605 4.083 1
1 278 . 15 1 1 A 34 34 ILE H H 34 9.577 8.845 0.732 1
1 279 . 15 1 1 A 34 34 ILE CA C 34 60.614 60.679 -0.065 1
1 280 . 15 1 1 A 34 34 ILE HA H 34 4.668 4.892 -0.224 1
1 281 . 15 1 1 A 34 34 ILE CB C 34 41.681 40.851 0.830 1
1 294 . 15 1 1 A 35 35 TRP CA C 35 58.440 54.843 3.597 1
1 295 . 15 1 1 A 35 35 TRP HA H 35 5.262 5.426 -0.164 1
1 296 . 15 1 1 A 35 35 TRP CB C 35 30.511 32.299 -1.788 1
1 311 . 15 1 1 A 36 36 THR N N 36 114.021 118.809 -4.788 1
1 312 . 15 1 1 A 36 36 THR H H 36 8.680 8.630 0.050 1
1 313 . 15 1 1 A 36 36 THR CA C 36 61.459 60.684 0.775 1
1 314 . 15 1 1 A 36 36 THR HA H 36 4.364 4.672 -0.308 1
1 315 . 15 1 1 A 36 36 THR CB C 36 69.197 69.128 0.069 1
1 321 . 15 1 1 A 37 37 ARG CA C 37 56.501 55.678 0.823 1
1 322 . 15 1 1 A 37 37 ARG HA H 37 4.207 3.730 0.477 1
1 323 . 15 1 1 A 37 37 ARG CB C 37 30.884 29.881 1.003 1
1 332 . 15 1 1 A 37 37 ARG C C 37 173.005 176.053 -3.048 1
1 333 . 15 1 1 A 38 38 GLU H H 38 8.371 8.578 -0.207 1
1 334 . 15 1 1 A 38 38 GLU CA C 38 56.895 57.470 -0.575 1
1 335 . 15 1 1 A 38 38 GLU HA H 38 4.270 3.829 0.441 1
1 336 . 15 1 1 A 38 38 GLU CB C 38 30.001 27.299 2.702 1
1 342 . 15 1 1 A 39 39 ALA N N 39 121.133 119.817 1.316 1
1 343 . 15 1 1 A 39 39 ALA H H 39 7.665 7.810 -0.145 1
1 344 . 15 1 1 A 39 39 ALA CA C 39 52.963 54.383 -1.420 1
1 345 . 15 1 1 A 39 39 ALA HA H 39 3.964 3.998 -0.034 1
1 346 . 15 1 1 A 39 39 ALA CB C 39 21.097 19.187 1.910 1
1 350 . 15 1 1 A 39 39 ALA C C 39 177.871 177.567 0.304 1
1 351 . 15 1 1 A 40 40 GLY N N 40 105.600 102.021 3.579 1
1 352 . 15 1 1 A 40 40 GLY H H 40 7.654 7.343 0.311 1
1 353 . 15 1 1 A 40 40 GLY CA C 40 44.261 45.934 -1.673 1
1 354 . 15 1 1 A 40 40 GLY HA2 H 40 3.766 4.136 -0.370 1
1 355 . 15 1 1 A 40 40 GLY HA3 H 40 4.196 4.318 -0.122 1
1 356 . 15 1 1 A 40 40 GLY C C 40 172.824 173.409 -0.585 1
1 357 . 15 1 1 A 41 41 ALA N N 41 122.720 121.403 1.317 1
1 358 . 15 1 1 A 41 41 ALA H H 41 8.364 8.208 0.156 1
1 359 . 15 1 1 A 41 41 ALA CA C 41 52.502 51.566 0.936 1
1 360 . 15 1 1 A 41 41 ALA HA H 41 4.396 4.732 -0.336 1
1 361 . 15 1 1 A 41 41 ALA CB C 41 19.295 18.933 0.362 1
1 365 . 15 1 1 A 41 41 ALA C C 41 178.393 177.646 0.747 1
1 366 . 15 1 1 A 42 42 GLY N N 42 109.713 107.269 2.444 1
1 367 . 15 1 1 A 42 42 GLY H H 42 8.194 8.215 -0.021 1
1 368 . 15 1 1 A 42 42 GLY CA C 42 45.853 44.547 1.306 1
1 369 . 15 1 1 A 42 42 GLY HA2 H 42 3.616 3.744 -0.128 1
1 370 . 15 1 1 A 42 42 GLY HA3 H 42 3.761 3.970 -0.209 1
1 371 . 15 1 1 A 42 42 GLY C C 42 172.178 173.671 -1.493 1
1 372 . 15 1 1 A 43 43 GLY N N 43 105.505 109.027 -3.522 1
1 373 . 15 1 1 A 43 43 GLY H H 43 7.422 8.178 -0.756 1
1 374 . 15 1 1 A 43 43 GLY CA C 43 44.382 44.132 0.250 1
1 375 . 15 1 1 A 43 43 GLY HA2 H 43 3.420 4.063 -0.643 1
1 376 . 15 1 1 A 43 43 GLY HA3 H 43 4.295 4.113 0.182 1
1 377 . 15 1 1 A 43 43 GLY C C 43 172.885 173.018 -0.133 1
1 378 . 15 1 1 A 44 44 LEU N N 44 125.007 122.130 2.877 1
1 379 . 15 1 1 A 44 44 LEU H H 44 8.525 8.518 0.007 1
1 380 . 15 1 1 A 44 44 LEU CA C 44 53.589 54.307 -0.718 1
1 381 . 15 1 1 A 44 44 LEU HA H 44 5.357 4.975 0.382 1
1 382 . 15 1 1 A 44 44 LEU CB C 44 45.602 45.041 0.561 1
1 395 . 15 1 1 A 44 44 LEU C C 44 177.034 175.202 1.832 1
1 396 . 15 1 1 A 45 45 SER N N 45 117.626 121.566 -3.940 1
1 397 . 15 1 1 A 45 45 SER H H 45 9.010 8.582 0.428 1
1 398 . 15 1 1 A 45 45 SER CA C 45 57.065 57.851 -0.786 1
1 399 . 15 1 1 A 45 45 SER HA H 45 4.660 5.033 -0.373 1
1 400 . 15 1 1 A 45 45 SER CB C 45 65.309 64.406 0.903 1
1 403 . 15 1 1 A 45 45 SER C C 45 172.724 173.713 -0.989 1
1 404 . 15 1 1 A 46 46 ILE N N 46 125.604 126.988 -1.384 1
1 405 . 15 1 1 A 46 46 ILE H H 46 8.584 8.885 -0.301 1
1 406 . 15 1 1 A 46 46 ILE CA C 46 59.369 59.851 -0.482 1
1 407 . 15 1 1 A 46 46 ILE HA H 46 5.182 5.235 -0.053 1
1 408 . 15 1 1 A 46 46 ILE CB C 46 40.879 40.741 0.138 1
1 421 . 15 1 1 A 46 46 ILE C C 46 174.318 174.886 -0.568 1
1 422 . 15 1 1 A 47 47 ALA N N 47 128.948 128.280 0.668 1
1 423 . 15 1 1 A 47 47 ALA H H 47 8.762 8.628 0.134 1
1 424 . 15 1 1 A 47 47 ALA CA C 47 51.123 51.390 -0.267 1
1 425 . 15 1 1 A 47 47 ALA HA H 47 4.724 5.112 -0.388 1
1 426 . 15 1 1 A 47 47 ALA CB C 47 22.575 21.368 1.207 1
1 430 . 15 1 1 A 47 47 ALA C C 47 175.131 175.473 -0.342 1
1 431 . 15 1 1 A 48 48 VAL N N 48 121.512 123.792 -2.280 1
1 432 . 15 1 1 A 48 48 VAL H H 48 8.640 8.986 -0.346 1
1 433 . 15 1 1 A 48 48 VAL CA C 48 61.770 61.946 -0.176 1
1 434 . 15 1 1 A 48 48 VAL HA H 48 4.749 4.549 0.200 1
1 435 . 15 1 1 A 48 48 VAL CB C 48 33.642 31.887 1.755 1
1 445 . 15 1 1 A 48 48 VAL C C 48 174.870 175.563 -0.693 1
1 446 . 15 1 1 A 49 49 GLU N N 49 126.757 125.757 1.000 1
1 447 . 15 1 1 A 49 49 GLU H H 49 8.898 8.602 0.296 1
1 448 . 15 1 1 A 49 49 GLU CA C 49 54.457 54.884 -0.427 1
1 449 . 15 1 1 A 49 49 GLU HA H 49 5.003 5.223 -0.220 1
1 450 . 15 1 1 A 49 49 GLU CB C 49 33.209 32.870 0.339 1
1 456 . 15 1 1 A 49 49 GLU C C 49 175.282 175.919 -0.637 1
1 457 . 15 1 1 A 50 50 GLY N N 50 112.668 110.978 1.690 1
1 458 . 15 1 1 A 50 50 GLY H H 50 8.563 8.538 0.025 1
1 459 . 15 1 1 A 50 50 GLY CA C 50 45.534 44.556 0.978 1
1 460 . 15 1 1 A 50 50 GLY HA2 H 50 3.481 3.488 -0.007 1
1 461 . 15 1 1 A 50 50 GLY HA3 H 50 3.836 4.005 -0.169 1
1 462 . 15 1 1 A 50 50 GLY C C 50 171.670 173.988 -2.318 1
1 463 . 15 1 1 A 51 51 PRO CA C 51 64.371 63.937 0.434 1
1 464 . 15 1 1 A 51 51 PRO HA H 51 4.309 4.362 -0.053 1
1 465 . 15 1 1 A 51 51 PRO CB C 51 32.183 31.793 0.390 1
1 474 . 15 1 1 A 51 51 PRO C C 51 175.938 175.781 0.157 1
1 475 . 15 1 1 A 52 52 SER N N 52 109.776 111.578 -1.802 1
1 476 . 15 1 1 A 52 52 SER H H 52 7.281 7.335 -0.054 1
1 477 . 15 1 1 A 52 52 SER CA C 52 56.747 56.407 0.340 1
1 478 . 15 1 1 A 52 52 SER HA H 52 4.688 4.622 0.066 1
1 479 . 15 1 1 A 52 52 SER CB C 52 65.901 65.407 0.494 1
1 482 . 15 1 1 A 52 52 SER C C 52 172.748 172.327 0.421 1
1 483 . 15 1 1 A 53 53 LYS N N 53 121.441 123.318 -1.877 1
1 484 . 15 1 1 A 53 53 LYS H H 53 8.607 8.409 0.198 1
1 485 . 15 1 1 A 53 53 LYS CA C 53 56.641 56.613 0.028 1
1 486 . 15 1 1 A 53 53 LYS HA H 53 4.391 4.575 -0.184 1
1 487 . 15 1 1 A 53 53 LYS CB C 53 32.323 33.358 -1.035 1
1 499 . 15 1 1 A 53 53 LYS C C 53 175.721 175.501 0.220 1
1 500 . 15 1 1 A 54 54 ALA N N 54 129.914 128.210 1.704 1
1 501 . 15 1 1 A 54 54 ALA H H 54 8.941 8.618 0.323 1
1 502 . 15 1 1 A 54 54 ALA CA C 54 50.924 50.620 0.304 1
1 503 . 15 1 1 A 54 54 ALA HA H 54 4.962 5.480 -0.518 1
1 504 . 15 1 1 A 54 54 ALA CB C 54 20.004 22.371 -2.367 1
1 508 . 15 1 1 A 54 54 ALA C C 54 176.618 175.449 1.169 1
1 509 . 15 1 1 A 55 55 GLU N N 55 122.179 123.153 -0.974 1
1 510 . 15 1 1 A 55 55 GLU H H 55 8.153 9.243 -1.090 1
1 511 . 15 1 1 A 55 55 GLU CA C 55 55.689 56.572 -0.883 1
1 512 . 15 1 1 A 55 55 GLU HA H 55 4.569 4.583 -0.014 1
1 513 . 15 1 1 A 55 55 GLU CB C 55 31.003 30.648 0.355 1
1 519 . 15 1 1 A 55 55 GLU C C 55 176.867 175.633 1.234 1
1 520 . 15 1 1 A 56 56 ILE N N 56 127.733 125.879 1.854 1
1 521 . 15 1 1 A 56 56 ILE H H 56 8.948 8.703 0.245 1
1 522 . 15 1 1 A 56 56 ILE CA C 56 61.345 60.369 0.976 1
1 523 . 15 1 1 A 56 56 ILE HA H 56 4.744 5.129 -0.385 1
1 524 . 15 1 1 A 56 56 ILE CB C 56 40.978 41.549 -0.571 1
1 537 . 15 1 1 A 56 56 ILE C C 56 175.675 174.811 0.864 1
1 538 . 15 1 1 A 57 57 THR N N 57 124.172 124.225 -0.053 1
1 539 . 15 1 1 A 57 57 THR H H 57 9.410 8.808 0.602 1
1 540 . 15 1 1 A 57 57 THR CA C 57 61.999 61.930 0.069 1
1 541 . 15 1 1 A 57 57 THR HA H 57 4.504 4.746 -0.242 1
1 542 . 15 1 1 A 57 57 THR CB C 57 70.660 69.517 1.143 1
1 548 . 15 1 1 A 57 57 THR C C 57 172.131 173.009 -0.878 1
1 549 . 15 1 1 A 58 58 PHE N N 58 126.429 128.517 -2.088 1
1 550 . 15 1 1 A 58 58 PHE H H 58 8.796 9.100 -0.304 1
1 551 . 15 1 1 A 58 58 PHE CA C 58 56.680 55.964 0.716 1
1 552 . 15 1 1 A 58 58 PHE HA H 58 4.981 5.269 -0.288 1
1 553 . 15 1 1 A 58 58 PHE CB C 58 42.400 40.968 1.432 1
1 566 . 15 1 1 A 58 58 PHE C C 58 173.719 173.549 0.170 1
1 567 . 15 1 1 A 59 59 ASP N N 59 126.210 126.727 -0.517 1
1 568 . 15 1 1 A 59 59 ASP H H 59 8.707 8.654 0.053 1
1 569 . 15 1 1 A 59 59 ASP CA C 59 52.784 53.413 -0.629 1
1 570 . 15 1 1 A 59 59 ASP HA H 59 4.677 5.389 -0.712 1
1 571 . 15 1 1 A 59 59 ASP CB C 59 42.738 43.840 -1.102 1
1 574 . 15 1 1 A 59 59 ASP C C 59 173.710 173.831 -0.121 1
1 575 . 15 1 1 A 60 60 ASP N N 60 123.675 124.702 -1.027 1
1 576 . 15 1 1 A 60 60 ASP H H 60 8.490 8.735 -0.245 1
1 577 . 15 1 1 A 60 60 ASP CA C 60 53.871 52.655 1.216 1
1 578 . 15 1 1 A 60 60 ASP HA H 60 4.447 4.988 -0.541 1
1 579 . 15 1 1 A 60 60 ASP CB C 60 41.108 43.194 -2.086 1
1 582 . 15 1 1 A 60 60 ASP C C 60 176.691 175.833 0.858 1
1 583 . 15 1 1 A 61 61 HIS N N 61 124.385 125.625 -1.240 1
1 584 . 15 1 1 A 61 61 HIS H H 61 8.122 8.841 -0.719 1
1 585 . 15 1 1 A 61 61 HIS CA C 61 55.608 57.708 -2.100 1
1 586 . 15 1 1 A 61 61 HIS HA H 61 4.769 4.664 0.105 1
1 587 . 15 1 1 A 61 61 HIS CB C 61 28.607 32.020 -3.413 1
1 594 . 15 1 1 A 61 61 HIS C C 61 175.701 174.368 1.333 1
1 595 . 15 1 1 A 62 62 LYS N N 62 115.195 118.608 -3.413 1
1 596 . 15 1 1 A 62 62 LYS H H 62 9.178 7.893 1.285 1
1 597 . 15 1 1 A 62 62 LYS CA C 62 57.585 55.113 2.472 1
1 598 . 15 1 1 A 62 62 LYS HA H 62 4.028 4.602 -0.574 1
1 599 . 15 1 1 A 62 62 LYS CB C 62 29.373 34.457 -5.084 1
1 611 . 15 1 1 A 63 63 ASN N N 63 116.167 120.611 -4.444 1
1 612 . 15 1 1 A 63 63 ASN H H 63 7.900 8.676 -0.776 1
1 613 . 15 1 1 A 63 63 ASN CA C 63 52.056 55.559 -3.503 1
1 614 . 15 1 1 A 63 63 ASN HA H 63 4.835 4.459 0.376 1
1 615 . 15 1 1 A 63 63 ASN CB C 63 38.468 38.363 0.105 1
1 621 . 15 1 1 A 63 63 ASN C C 63 176.634 176.869 -0.235 1
1 622 . 15 1 1 A 64 64 GLY N N 64 108.877 107.470 1.407 1
1 623 . 15 1 1 A 64 64 GLY H H 64 8.718 8.086 0.632 1
1 624 . 15 1 1 A 64 64 GLY CA C 64 45.534 46.765 -1.231 1
1 625 . 15 1 1 A 64 64 GLY HA2 H 64 3.619 3.935 -0.316 1
1 626 . 15 1 1 A 64 64 GLY HA3 H 64 4.247 3.945 0.302 1
1 627 . 15 1 1 A 65 65 SER N N 65 115.229 119.816 -4.587 1
1 628 . 15 1 1 A 65 65 SER H H 65 7.962 8.333 -0.371 1
1 629 . 15 1 1 A 65 65 SER CA C 65 57.108 58.327 -1.219 1
1 630 . 15 1 1 A 65 65 SER HA H 65 5.531 4.476 1.055 1
1 631 . 15 1 1 A 65 65 SER CB C 65 67.290 63.603 3.687 1
1 634 . 15 1 1 A 66 66 CYS N N 66 118.007 122.187 -4.180 1
1 635 . 15 1 1 A 66 66 CYS H H 66 8.807 8.636 0.171 1
1 636 . 15 1 1 A 66 66 CYS CA C 66 56.476 58.957 -2.481 1
1 637 . 15 1 1 A 66 66 CYS HA H 66 4.672 4.615 0.057 1
1 638 . 15 1 1 A 66 66 CYS CB C 66 31.077 28.213 2.864 1
1 641 . 15 1 1 A 67 67 GLY N N 67 112.448 108.141 4.307 1
1 642 . 15 1 1 A 67 67 GLY H H 67 8.679 7.890 0.789 1
1 643 . 15 1 1 A 67 67 GLY CA C 67 45.004 45.157 -0.153 1
1 644 . 15 1 1 A 67 67 GLY HA2 H 67 3.629 3.872 -0.243 1
1 645 . 15 1 1 A 67 67 GLY HA3 H 67 4.645 3.912 0.733 1
1 646 . 15 1 1 A 67 67 GLY C C 67 171.754 172.945 -1.191 1
1 647 . 15 1 1 A 68 68 VAL N N 68 123.840 121.129 2.711 1
1 648 . 15 1 1 A 68 68 VAL H H 68 8.486 7.421 1.065 1
1 649 . 15 1 1 A 68 68 VAL CA C 68 60.143 60.311 -0.168 1
1 650 . 15 1 1 A 68 68 VAL HA H 68 4.579 4.716 -0.137 1
1 651 . 15 1 1 A 68 68 VAL CB C 68 33.946 35.260 -1.314 1
1 661 . 15 1 1 A 68 68 VAL C C 68 174.396 174.529 -0.133 1
1 662 . 15 1 1 A 69 69 SER N N 69 119.414 119.063 0.351 1
1 663 . 15 1 1 A 69 69 SER H H 69 8.450 8.899 -0.449 1
1 664 . 15 1 1 A 69 69 SER CA C 69 56.169 55.610 0.559 1
1 665 . 15 1 1 A 69 69 SER HA H 69 5.442 5.550 -0.108 1
1 666 . 15 1 1 A 69 69 SER CB C 69 65.640 66.619 -0.979 1
1 669 . 15 1 1 A 69 69 SER C C 69 173.189 173.140 0.049 1
1 670 . 15 1 1 A 70 70 TYR N N 70 119.504 117.219 2.285 1
1 671 . 15 1 1 A 70 70 TYR H H 70 8.771 8.843 -0.072 1
1 672 . 15 1 1 A 70 70 TYR CA C 70 54.962 56.166 -1.204 1
1 673 . 15 1 1 A 70 70 TYR HA H 70 5.922 5.741 0.181 1
1 674 . 15 1 1 A 70 70 TYR CB C 70 42.710 41.218 1.492 1
1 685 . 15 1 1 A 70 70 TYR C C 70 173.056 172.667 0.389 1
1 686 . 15 1 1 A 71 71 ILE N N 71 117.727 121.999 -4.272 1
1 687 . 15 1 1 A 71 71 ILE H H 71 8.196 8.498 -0.302 1
1 688 . 15 1 1 A 71 71 ILE CA C 71 60.132 59.769 0.363 1
1 689 . 15 1 1 A 71 71 ILE HA H 71 4.161 4.633 -0.472 1
1 690 . 15 1 1 A 71 71 ILE CB C 71 40.790 41.654 -0.864 1
1 703 . 15 1 1 A 71 71 ILE C C 71 175.114 174.618 0.496 1
1 704 . 15 1 1 A 72 72 ALA N N 72 133.145 129.859 3.286 1
1 705 . 15 1 1 A 72 72 ALA H H 72 9.466 8.439 1.027 1
1 706 . 15 1 1 A 72 72 ALA CA C 72 50.261 50.387 -0.126 1
1 707 . 15 1 1 A 72 72 ALA HA H 72 4.567 4.686 -0.119 1
1 708 . 15 1 1 A 72 72 ALA CB C 72 19.699 20.027 -0.328 1
1 712 . 15 1 1 A 72 72 ALA C C 72 177.170 178.034 -0.864 1
1 713 . 15 1 1 A 73 73 GLN N N 73 120.464 123.983 -3.519 1
1 714 . 15 1 1 A 73 73 GLN H H 73 8.649 8.627 0.022 1
1 715 . 15 1 1 A 73 73 GLN CA C 73 57.614 58.807 -1.193 1
1 716 . 15 1 1 A 73 73 GLN HA H 73 4.083 4.156 -0.073 1
1 717 . 15 1 1 A 73 73 GLN CB C 73 29.667 29.059 0.608 1
1 726 . 15 1 1 A 73 73 GLN C C 73 175.643 176.495 -0.852 1
1 727 . 15 1 1 A 74 74 GLU N N 74 114.557 118.079 -3.522 1
1 728 . 15 1 1 A 74 74 GLU H H 74 7.102 8.209 -1.107 1
1 729 . 15 1 1 A 74 74 GLU CA C 74 52.242 53.038 -0.796 1
1 730 . 15 1 1 A 74 74 GLU HA H 74 4.988 4.815 0.173 1
1 731 . 15 1 1 A 74 74 GLU CB C 74 31.732 30.942 0.790 1
1 737 . 15 1 1 A 74 74 GLU C C 74 174.462 173.990 0.472 1
1 738 . 15 1 1 A 75 75 PRO CA C 75 63.007 63.322 -0.315 1
1 739 . 15 1 1 A 75 75 PRO HA H 75 4.335 4.640 -0.305 1
1 740 . 15 1 1 A 75 75 PRO CB C 75 32.866 32.941 -0.075 1
1 749 . 15 1 1 A 75 75 PRO C C 75 174.572 175.897 -1.325 1
1 750 . 15 1 1 A 76 76 GLY N N 76 107.234 107.799 -0.565 1
1 751 . 15 1 1 A 76 76 GLY H H 76 9.012 8.555 0.457 1
1 752 . 15 1 1 A 76 76 GLY CA C 76 44.615 45.056 -0.441 1
1 753 . 15 1 1 A 76 76 GLY HA2 H 76 3.850 4.218 -0.368 1
1 754 . 15 1 1 A 76 76 GLY HA3 H 76 4.201 4.236 -0.035 1
1 755 . 15 1 1 A 76 76 GLY C C 76 171.133 172.821 -1.688 1
1 756 . 15 1 1 A 77 77 ASN N N 77 119.292 117.142 2.150 1
1 757 . 15 1 1 A 77 77 ASN H H 77 8.549 8.581 -0.032 1
1 758 . 15 1 1 A 77 77 ASN CA C 77 52.364 51.796 0.568 1
1 759 . 15 1 1 A 77 77 ASN HA H 77 5.369 5.394 -0.025 1
1 760 . 15 1 1 A 77 77 ASN CB C 77 39.176 39.125 0.051 1
1 766 . 15 1 1 A 77 77 ASN C C 77 174.470 173.684 0.786 1
1 767 . 15 1 1 A 78 78 TYR N N 78 123.809 124.919 -1.110 1
1 768 . 15 1 1 A 78 78 TYR H H 78 9.094 8.983 0.111 1
1 769 . 15 1 1 A 78 78 TYR CA C 78 56.818 57.916 -1.098 1
1 770 . 15 1 1 A 78 78 TYR HA H 78 4.859 4.929 -0.070 1
1 771 . 15 1 1 A 78 78 TYR CB C 78 39.860 39.657 0.203 1
1 782 . 15 1 1 A 78 78 TYR C C 78 174.184 174.939 -0.755 1
1 783 . 15 1 1 A 79 79 GLU N N 79 122.250 125.730 -3.480 1
1 784 . 15 1 1 A 79 79 GLU H H 79 9.259 9.178 0.081 1
1 785 . 15 1 1 A 79 79 GLU CA C 79 54.692 55.478 -0.786 1
1 786 . 15 1 1 A 79 79 GLU HA H 79 5.313 5.109 0.204 1
1 787 . 15 1 1 A 79 79 GLU CB C 79 32.159 30.691 1.468 1
1 793 . 15 1 1 A 79 79 GLU C C 79 176.631 175.229 1.402 1
1 794 . 15 1 1 A 80 80 VAL N N 80 131.418 128.026 3.392 1
1 795 . 15 1 1 A 80 80 VAL H H 80 9.761 8.681 1.080 1
1 796 . 15 1 1 A 80 80 VAL CA C 80 61.522 62.081 -0.559 1
1 797 . 15 1 1 A 80 80 VAL HA H 80 4.801 4.416 0.385 1
1 798 . 15 1 1 A 80 80 VAL CB C 80 32.818 32.336 0.482 1
1 808 . 15 1 1 A 80 80 VAL C C 80 175.573 175.729 -0.156 1
1 809 . 15 1 1 A 81 81 SER N N 81 123.238 118.927 4.311 1
1 810 . 15 1 1 A 81 81 SER H H 81 9.457 8.908 0.549 1
1 811 . 15 1 1 A 81 81 SER CA C 81 57.589 56.481 1.108 1
1 812 . 15 1 1 A 81 81 SER HA H 81 5.167 5.660 -0.493 1
1 813 . 15 1 1 A 81 81 SER CB C 81 64.882 65.519 -0.637 1
1 816 . 15 1 1 A 81 81 SER C C 81 173.514 173.698 -0.184 1
1 817 . 15 1 1 A 82 82 ILE N N 82 126.261 126.294 -0.033 1
1 818 . 15 1 1 A 82 82 ILE H H 82 9.642 9.110 0.532 1
1 819 . 15 1 1 A 82 82 ILE CA C 82 60.992 60.556 0.436 1
1 820 . 15 1 1 A 82 82 ILE HA H 82 4.667 5.124 -0.457 1
1 821 . 15 1 1 A 82 82 ILE CB C 82 40.692 40.833 -0.141 1
1 834 . 15 1 1 A 82 82 ILE C C 82 173.498 175.235 -1.737 1
1 835 . 15 1 1 A 83 83 LYS N N 83 123.477 127.310 -3.833 1
1 836 . 15 1 1 A 83 83 LYS H H 83 8.720 8.777 -0.057 1
1 837 . 15 1 1 A 83 83 LYS CA C 83 53.730 54.797 -1.067 1
1 838 . 15 1 1 A 83 83 LYS HA H 83 5.139 5.240 -0.101 1
1 839 . 15 1 1 A 83 83 LYS CB C 83 36.351 34.339 2.012 1
1 851 . 15 1 1 A 83 83 LYS C C 83 174.914 174.445 0.469 1
1 852 . 15 1 1 A 84 84 PHE N N 84 122.298 126.257 -3.959 1
1 853 . 15 1 1 A 84 84 PHE H H 84 9.154 9.027 0.127 1
1 854 . 15 1 1 A 84 84 PHE CA C 84 56.057 57.316 -1.259 1
1 855 . 15 1 1 A 84 84 PHE HA H 84 5.238 4.781 0.457 1
1 856 . 15 1 1 A 84 84 PHE CB C 84 43.136 40.555 2.581 1
1 867 . 15 1 1 A 84 84 PHE C C 84 175.864 174.884 0.980 1
1 868 . 15 1 1 A 85 85 ASN N N 85 127.936 125.235 2.701 1
1 869 . 15 1 1 A 85 85 ASN H H 85 9.040 9.345 -0.305 1
1 870 . 15 1 1 A 85 85 ASN CA C 85 54.448 54.451 -0.003 1
1 871 . 15 1 1 A 85 85 ASN HA H 85 4.206 4.200 0.006 1
1 872 . 15 1 1 A 85 85 ASN CB C 85 36.554 36.670 -0.116 1
1 878 . 15 1 1 A 85 85 ASN C C 85 174.620 174.125 0.495 1
1 879 . 15 1 1 A 86 86 ASP N N 86 108.763 109.914 -1.151 1
1 880 . 15 1 1 A 86 86 ASP H H 86 8.828 8.383 0.445 1
1 881 . 15 1 1 A 86 86 ASP CA C 86 56.405 55.534 0.871 1
1 882 . 15 1 1 A 86 86 ASP HA H 86 3.946 4.180 -0.234 1
1 883 . 15 1 1 A 86 86 ASP CB C 86 40.367 39.291 1.076 1
1 886 . 15 1 1 A 86 86 ASP C C 86 174.169 174.540 -0.371 1
1 887 . 15 1 1 A 87 87 GLU N N 87 119.289 117.072 2.217 1
1 888 . 15 1 1 A 87 87 GLU H H 87 7.510 7.597 -0.087 1
1 889 . 15 1 1 A 87 87 GLU CA C 87 54.483 54.970 -0.487 1
1 890 . 15 1 1 A 87 87 GLU HA H 87 4.743 4.870 -0.127 1
1 891 . 15 1 1 A 87 87 GLU CB C 87 32.763 33.113 -0.350 1
1 897 . 15 1 1 A 87 87 GLU C C 87 175.825 175.415 0.410 1
1 898 . 15 1 1 A 88 88 HIS N N 88 123.465 121.318 2.147 1
1 899 . 15 1 1 A 88 88 HIS H H 88 8.822 9.030 -0.208 1
1 900 . 15 1 1 A 88 88 HIS CA C 88 59.117 55.250 3.867 1
1 901 . 15 1 1 A 88 88 HIS HA H 88 4.511 4.839 -0.328 1
1 902 . 15 1 1 A 88 88 HIS CB C 88 32.254 28.284 3.970 1
1 909 . 15 1 1 A 88 88 HIS C C 88 177.352 174.933 2.419 1
1 910 . 15 1 1 A 89 89 ILE N N 89 117.945 122.935 -4.990 1
1 911 . 15 1 1 A 89 89 ILE H H 89 8.131 8.067 0.064 1
1 912 . 15 1 1 A 89 89 ILE CA C 89 61.121 60.206 0.915 1
1 913 . 15 1 1 A 89 89 ILE HA H 89 4.519 4.205 0.314 1
1 914 . 15 1 1 A 89 89 ILE CB C 89 35.538 37.873 -2.335 1
1 927 . 15 1 1 A 89 89 ILE C C 89 173.831 176.538 -2.707 1
1 928 . 15 1 1 A 90 90 PRO CA C 90 66.545 64.338 2.207 1
1 929 . 15 1 1 A 90 90 PRO HA H 90 4.223 4.548 -0.325 1
1 930 . 15 1 1 A 90 90 PRO CB C 90 31.693 31.574 0.119 1
1 939 . 15 1 1 A 90 90 PRO C C 90 177.046 176.411 0.635 1
1 940 . 15 1 1 A 91 91 GLU N N 91 113.835 117.220 -3.385 1
1 941 . 15 1 1 A 91 91 GLU H H 91 8.223 8.255 -0.032 1
1 942 . 15 1 1 A 91 91 GLU CA C 91 57.913 56.198 1.715 1
1 943 . 15 1 1 A 91 91 GLU HA H 91 3.733 4.362 -0.629 1
1 944 . 15 1 1 A 91 91 GLU CB C 91 27.681 31.359 -3.678 1
1 950 . 15 1 1 A 91 91 GLU C C 91 173.469 174.710 -1.241 1
1 951 . 15 1 1 A 92 92 SER N N 92 111.462 114.528 -3.066 1
1 952 . 15 1 1 A 92 92 SER H H 92 7.489 7.597 -0.108 1
1 953 . 15 1 1 A 92 92 SER CA C 92 54.873 54.822 0.051 1
1 954 . 15 1 1 A 92 92 SER HA H 92 4.427 4.509 -0.082 1
1 955 . 15 1 1 A 92 92 SER CB C 92 63.317 66.201 -2.884 1
1 958 . 15 1 1 A 92 92 SER C C 92 174.195 172.066 2.129 1
1 959 . 15 1 1 A 93 93 PRO CA C 93 62.333 62.564 -0.231 1
1 960 . 15 1 1 A 93 93 PRO HA H 93 5.483 4.709 0.774 1
1 961 . 15 1 1 A 93 93 PRO CB C 93 34.386 32.491 1.895 1
1 970 . 15 1 1 A 93 93 PRO C C 93 176.059 175.005 1.054 1
1 971 . 15 1 1 A 94 94 TYR N N 94 122.179 119.387 2.792 1
1 972 . 15 1 1 A 94 94 TYR H H 94 9.372 8.748 0.624 1
1 973 . 15 1 1 A 94 94 TYR CA C 94 57.101 57.443 -0.342 1
1 974 . 15 1 1 A 94 94 TYR HA H 94 4.531 4.959 -0.428 1
1 975 . 15 1 1 A 94 94 TYR CB C 94 40.027 41.236 -1.209 1
1 986 . 15 1 1 A 94 94 TYR C C 94 175.281 174.491 0.790 1
1 987 . 15 1 1 A 95 95 LEU N N 95 126.428 123.995 2.433 1
1 988 . 15 1 1 A 95 95 LEU H H 95 8.807 8.704 0.103 1
1 989 . 15 1 1 A 95 95 LEU CA C 95 54.200 53.716 0.484 1
1 990 . 15 1 1 A 95 95 LEU HA H 95 4.981 5.111 -0.130 1
1 991 . 15 1 1 A 95 95 LEU CB C 95 41.894 44.331 -2.437 1
1 1004 . 15 1 1 A 95 95 LEU C C 95 176.295 174.546 1.749 1
1 1005 . 15 1 1 A 96 96 VAL N N 96 130.944 127.642 3.302 1
1 1006 . 15 1 1 A 96 96 VAL H H 96 9.629 8.872 0.757 1
1 1007 . 15 1 1 A 96 96 VAL CA C 96 59.813 59.413 0.400 1
1 1008 . 15 1 1 A 96 96 VAL HA H 96 4.469 4.582 -0.113 1
1 1009 . 15 1 1 A 96 96 VAL CB C 96 35.052 32.904 2.148 1
1 1019 . 15 1 1 A 96 96 VAL C C 96 173.734 174.939 -1.205 1
1 1020 . 15 1 1 A 97 97 PRO CA C 97 62.379 62.383 -0.004 1
1 1021 . 15 1 1 A 97 97 PRO HA H 97 5.016 4.797 0.219 1
1 1022 . 15 1 1 A 97 97 PRO CB C 97 32.163 29.786 2.377 1
1 1031 . 15 1 1 A 97 97 PRO C C 97 175.950 176.570 -0.620 1
1 1032 . 15 1 1 A 98 98 VAL N N 98 125.524 123.761 1.763 1
1 1033 . 15 1 1 A 98 98 VAL H H 98 9.196 8.754 0.442 1
1 1034 . 15 1 1 A 98 98 VAL CA C 98 61.345 62.970 -1.625 1
1 1035 . 15 1 1 A 98 98 VAL HA H 98 4.411 4.739 -0.328 1
1 1036 . 15 1 1 A 98 98 VAL CB C 98 32.037 32.155 -0.118 1
1 1046 . 15 1 1 A 98 98 VAL C C 98 176.996 176.115 0.881 1
1 1047 . 15 1 1 A 99 99 ILE N N 99 124.035 121.723 2.312 1
1 1048 . 15 1 1 A 99 99 ILE H H 99 8.392 8.525 -0.133 1
1 1049 . 15 1 1 A 99 99 ILE CA C 99 59.802 58.849 0.953 1
1 1050 . 15 1 1 A 99 99 ILE HA H 99 4.651 5.024 -0.373 1
1 1051 . 15 1 1 A 99 99 ILE CB C 99 40.609 42.147 -1.538 1
1 1064 . 15 1 1 A 99 99 ILE C C 99 175.482 174.575 0.907 1
1 1065 . 15 1 1 A 100 100 ALA N N 100 125.837 125.045 0.792 1
1 1066 . 15 1 1 A 100 100 ALA H H 100 8.714 8.540 0.174 1
1 1067 . 15 1 1 A 100 100 ALA CA C 100 50.416 50.162 0.254 1
1 1068 . 15 1 1 A 100 100 ALA HA H 100 4.603 4.476 0.127 1
1 1069 . 15 1 1 A 100 100 ALA CB C 100 18.088 19.696 -1.608 1
1 1073 . 15 1 1 A 100 100 ALA C C 100 175.264 176.297 -1.033 1
1 1074 . 15 1 1 A 101 101 PRO CA C 101 63.104 62.745 0.359 1
1 1075 . 15 1 1 A 101 101 PRO HA H 101 4.483 4.528 -0.045 1
1 1076 . 15 1 1 A 101 101 PRO CB C 101 32.222 31.882 0.340 1
1 1085 . 15 1 1 A 101 101 PRO C C 101 176.976 177.412 -0.436 1
1 1086 . 15 1 1 A 102 102 SER N N 102 116.530 115.183 1.347 1
1 1087 . 15 1 1 A 102 102 SER H H 102 8.527 8.485 0.042 1
1 1088 . 15 1 1 A 102 102 SER CA C 102 58.283 58.441 -0.158 1
1 1089 . 15 1 1 A 102 102 SER HA H 102 4.433 4.415 0.018 1
1 1090 . 15 1 1 A 102 102 SER CB C 102 64.078 63.466 0.612 1
1 1093 . 15 1 1 A 102 102 SER C C 102 174.510 174.566 -0.056 1
1 1094 . 15 1 1 A 103 103 ASP N N 103 123.018 122.247 0.771 1
1 1095 . 15 1 1 A 103 103 ASP H H 103 8.450 8.916 -0.466 1
1 1096 . 15 1 1 A 103 103 ASP CA C 103 54.431 51.866 2.565 1
1 1097 . 15 1 1 A 103 103 ASP HA H 103 4.654 5.726 -1.072 1
1 1098 . 15 1 1 A 103 103 ASP CB C 103 41.226 45.239 -4.013 1
1 1101 . 15 1 1 A 103 103 ASP C C 103 175.889 174.356 1.533 1
1 1102 . 15 1 1 A 104 104 ASP N N 104 120.896 117.926 2.970 1
1 1103 . 15 1 1 A 104 104 ASP H H 104 8.264 8.846 -0.582 1
1 1104 . 15 1 1 A 104 104 ASP CA C 104 54.283 52.923 1.360 1
1 1105 . 15 1 1 A 104 104 ASP HA H 104 4.601 5.116 -0.515 1
1 1106 . 15 1 1 A 104 104 ASP CB C 104 41.183 44.894 -3.711 1
1 1109 . 15 1 1 A 104 104 ASP C C 104 175.065 174.664 0.401 1
1 1 . 16 1 1 A 7 7 GLY N N 7 110.767 109.525 1.242 1
1 2 . 16 1 1 A 7 7 GLY H H 7 8.421 7.806 0.615 1
1 3 . 16 1 1 A 7 7 GLY CA C 7 45.393 46.217 -0.824 1
1 4 . 16 1 1 A 7 7 GLY HA2 H 7 4.003 4.194 -0.191 1
1 5 . 16 1 1 A 7 7 GLY HA3 H 7 4.003 4.196 -0.193 1
1 6 . 16 1 1 A 7 7 GLY C C 7 174.160 173.323 0.837 1
1 7 . 16 1 1 A 8 8 GLU N N 8 120.419 120.181 0.238 1
1 8 . 16 1 1 A 8 8 GLU H H 8 8.320 8.786 -0.466 1
1 9 . 16 1 1 A 8 8 GLU CA C 8 56.499 57.433 -0.934 1
1 10 . 16 1 1 A 8 8 GLU HA H 8 4.390 3.893 0.497 1
1 11 . 16 1 1 A 8 8 GLU CB C 8 30.615 27.941 2.674 1
1 17 . 16 1 1 A 8 8 GLU C C 8 176.858 175.576 1.282 1
1 18 . 16 1 1 A 9 9 GLY N N 9 109.731 107.266 2.465 1
1 19 . 16 1 1 A 9 9 GLY H H 9 8.522 8.104 0.418 1
1 20 . 16 1 1 A 9 9 GLY CA C 9 45.110 44.790 0.320 1
1 21 . 16 1 1 A 9 9 GLY HA2 H 9 4.090 4.083 0.007 1
1 22 . 16 1 1 A 9 9 GLY HA3 H 9 3.931 4.140 -0.209 1
1 23 . 16 1 1 A 9 9 GLY C C 9 173.933 173.057 0.876 1
1 24 . 16 1 1 A 10 10 GLY N N 10 107.139 108.288 -1.149 1
1 25 . 16 1 1 A 10 10 GLY H H 10 8.393 8.499 -0.106 1
1 26 . 16 1 1 A 10 10 GLY CA C 10 45.039 44.677 0.362 1
1 27 . 16 1 1 A 10 10 GLY HA2 H 10 3.868 4.226 -0.358 1
1 28 . 16 1 1 A 10 10 GLY HA3 H 10 4.528 4.348 0.180 1
1 29 . 16 1 1 A 10 10 GLY C C 10 174.561 174.772 -0.211 1
1 30 . 16 1 1 A 11 11 ALA N N 11 122.466 124.960 -2.494 1
1 31 . 16 1 1 A 11 11 ALA H H 11 8.875 9.035 -0.160 1
1 32 . 16 1 1 A 11 11 ALA CA C 11 55.391 55.416 -0.025 1
1 33 . 16 1 1 A 11 11 ALA HA H 11 3.803 4.054 -0.251 1
1 34 . 16 1 1 A 11 11 ALA CB C 11 19.583 18.567 1.016 1
1 38 . 16 1 1 A 11 11 ALA C C 11 178.242 179.746 -1.504 1
1 39 . 16 1 1 A 12 12 HIS N N 12 111.513 115.960 -4.447 1
1 40 . 16 1 1 A 12 12 HIS H H 12 8.290 8.566 -0.276 1
1 41 . 16 1 1 A 12 12 HIS CA C 12 57.847 59.454 -1.607 1
1 42 . 16 1 1 A 12 12 HIS HA H 12 4.443 4.265 0.178 1
1 43 . 16 1 1 A 12 12 HIS CB C 12 29.321 28.589 0.732 1
1 50 . 16 1 1 A 12 12 HIS C C 12 176.189 178.036 -1.847 1
1 51 . 16 1 1 A 13 13 LYS N N 13 118.111 119.977 -1.866 1
1 52 . 16 1 1 A 13 13 LYS H H 13 7.558 6.994 0.564 1
1 53 . 16 1 1 A 13 13 LYS CA C 13 54.660 59.078 -4.418 1
1 54 . 16 1 1 A 13 13 LYS HA H 13 4.202 3.809 0.393 1
1 55 . 16 1 1 A 13 13 LYS CB C 13 32.655 31.949 0.706 1
1 67 . 16 1 1 A 13 13 LYS C C 13 176.721 177.629 -0.908 1
1 68 . 16 1 1 A 14 14 VAL N N 14 123.625 119.259 4.366 1
1 69 . 16 1 1 A 14 14 VAL H H 14 7.499 7.019 0.480 1
1 70 . 16 1 1 A 14 14 VAL CA C 14 63.247 63.208 0.039 1
1 71 . 16 1 1 A 14 14 VAL HA H 14 3.907 3.751 0.156 1
1 72 . 16 1 1 A 14 14 VAL CB C 14 31.649 31.499 0.150 1
1 82 . 16 1 1 A 15 15 ARG H H 15 8.106 8.550 -0.444 1
1 83 . 16 1 1 A 15 15 ARG CA C 15 53.791 54.580 -0.789 1
1 84 . 16 1 1 A 15 15 ARG HA H 15 5.021 4.974 0.047 1
1 85 . 16 1 1 A 15 15 ARG CB C 15 34.207 33.974 0.233 1
1 94 . 16 1 1 A 16 16 ALA N N 16 123.795 128.817 -5.022 1
1 95 . 16 1 1 A 16 16 ALA H H 16 8.875 9.007 -0.132 1
1 96 . 16 1 1 A 16 16 ALA CA C 16 51.092 51.247 -0.155 1
1 97 . 16 1 1 A 16 16 ALA HA H 16 5.569 5.184 0.385 1
1 98 . 16 1 1 A 16 16 ALA CB C 16 23.845 21.075 2.770 1
1 102 . 16 1 1 A 17 17 GLY N N 17 106.516 106.003 0.513 1
1 103 . 16 1 1 A 17 17 GLY H H 17 8.616 8.609 0.007 1
1 104 . 16 1 1 A 17 17 GLY CA C 17 46.205 45.953 0.252 1
1 105 . 16 1 1 A 17 17 GLY HA2 H 17 4.289 4.250 0.039 1
1 106 . 16 1 1 A 17 17 GLY HA3 H 17 4.226 4.350 -0.124 1
1 107 . 16 1 1 A 18 18 GLY N N 18 111.804 110.663 1.141 1
1 108 . 16 1 1 A 18 18 GLY H H 18 8.816 8.400 0.416 1
1 109 . 16 1 1 A 18 18 GLY CA C 18 44.595 45.690 -1.095 1
1 110 . 16 1 1 A 18 18 GLY HA2 H 18 4.105 4.258 -0.153 1
1 111 . 16 1 1 A 18 18 GLY HA3 H 18 4.105 4.294 -0.189 1
1 112 . 16 1 1 A 19 19 PRO CA C 19 65.526 64.863 0.663 1
1 113 . 16 1 1 A 19 19 PRO HA H 19 4.335 4.369 -0.034 1
1 114 . 16 1 1 A 19 19 PRO CB C 19 31.790 31.981 -0.191 1
1 123 . 16 1 1 A 19 19 PRO C C 19 179.208 178.703 0.505 1
1 124 . 16 1 1 A 20 20 GLY N N 20 103.234 105.666 -2.432 1
1 125 . 16 1 1 A 20 20 GLY H H 20 9.282 8.461 0.821 1
1 126 . 16 1 1 A 20 20 GLY CA C 20 46.361 46.645 -0.284 1
1 127 . 16 1 1 A 20 20 GLY HA2 H 20 3.214 3.904 -0.690 1
1 128 . 16 1 1 A 20 20 GLY HA3 H 20 4.184 3.995 0.189 1
1 129 . 16 1 1 A 20 20 GLY C C 20 172.711 176.272 -3.561 1
1 130 . 16 1 1 A 21 21 LEU N N 21 116.307 122.740 -6.433 1
1 131 . 16 1 1 A 21 21 LEU H H 21 7.559 8.006 -0.447 1
1 132 . 16 1 1 A 21 21 LEU CA C 21 53.980 57.692 -3.712 1
1 133 . 16 1 1 A 21 21 LEU HA H 21 4.166 3.926 0.240 1
1 134 . 16 1 1 A 21 21 LEU CB C 21 40.135 41.419 -1.284 1
1 147 . 16 1 1 A 21 21 LEU C C 21 175.859 178.655 -2.796 1
1 148 . 16 1 1 A 22 22 GLU N N 22 119.926 117.111 2.815 1
1 149 . 16 1 1 A 22 22 GLU H H 22 7.927 8.115 -0.188 1
1 150 . 16 1 1 A 22 22 GLU CA C 22 57.490 59.738 -2.248 1
1 151 . 16 1 1 A 22 22 GLU HA H 22 4.511 4.014 0.497 1
1 152 . 16 1 1 A 22 22 GLU CB C 22 32.057 29.521 2.536 1
1 158 . 16 1 1 A 22 22 GLU C C 22 175.521 176.803 -1.282 1
1 159 . 16 1 1 A 23 23 ARG N N 23 116.789 117.338 -0.549 1
1 160 . 16 1 1 A 23 23 ARG H H 23 8.340 7.715 0.625 1
1 161 . 16 1 1 A 23 23 ARG CA C 23 56.464 54.449 2.015 1
1 162 . 16 1 1 A 23 23 ARG HA H 23 4.688 5.017 -0.329 1
1 163 . 16 1 1 A 23 23 ARG CB C 23 32.571 34.656 -2.085 1
1 174 . 16 1 1 A 23 23 ARG C C 23 173.992 175.412 -1.420 1
1 175 . 16 1 1 A 24 24 GLY N N 24 108.837 107.931 0.906 1
1 176 . 16 1 1 A 24 24 GLY H H 24 8.736 7.936 0.800 1
1 177 . 16 1 1 A 24 24 GLY CA C 24 43.943 45.321 -1.378 1
1 178 . 16 1 1 A 24 24 GLY HA2 H 24 3.510 4.429 -0.919 1
1 179 . 16 1 1 A 24 24 GLY HA3 H 24 4.679 4.476 0.203 1
1 180 . 16 1 1 A 24 24 GLY C C 24 171.930 172.314 -0.384 1
1 181 . 16 1 1 A 25 25 GLU N N 25 122.126 119.749 2.377 1
1 182 . 16 1 1 A 25 25 GLU H H 25 9.429 8.553 0.876 1
1 183 . 16 1 1 A 25 25 GLU CA C 25 54.209 54.450 -0.241 1
1 184 . 16 1 1 A 25 25 GLU HA H 25 5.049 5.288 -0.239 1
1 185 . 16 1 1 A 25 25 GLU CB C 25 32.945 33.969 -1.024 1
1 191 . 16 1 1 A 25 25 GLU C C 25 175.853 175.770 0.083 1
1 192 . 16 1 1 A 26 26 ALA N N 26 128.654 126.793 1.861 1
1 193 . 16 1 1 A 26 26 ALA H H 26 8.518 8.598 -0.080 1
1 194 . 16 1 1 A 26 26 ALA CA C 26 53.187 53.760 -0.573 1
1 195 . 16 1 1 A 26 26 ALA HA H 26 3.855 4.327 -0.472 1
1 196 . 16 1 1 A 26 26 ALA CB C 26 17.420 18.433 -1.013 1
1 200 . 16 1 1 A 26 26 ALA C C 26 177.837 178.842 -1.005 1
1 201 . 16 1 1 A 27 27 GLY N N 27 108.210 110.855 -2.645 1
1 202 . 16 1 1 A 27 27 GLY H H 27 8.583 9.241 -0.658 1
1 203 . 16 1 1 A 27 27 GLY CA C 27 45.619 46.457 -0.838 1
1 204 . 16 1 1 A 27 27 GLY HA2 H 27 3.364 3.833 -0.469 1
1 205 . 16 1 1 A 27 27 GLY HA3 H 27 4.158 3.847 0.311 1
1 206 . 16 1 1 A 27 27 GLY C C 27 173.084 173.940 -0.856 1
1 207 . 16 1 1 A 28 28 VAL N N 28 122.974 120.068 2.906 1
1 208 . 16 1 1 A 28 28 VAL H H 28 7.878 7.249 0.629 1
1 209 . 16 1 1 A 28 28 VAL CA C 28 59.182 58.858 0.324 1
1 210 . 16 1 1 A 28 28 VAL HA H 28 4.510 4.412 0.098 1
1 211 . 16 1 1 A 28 28 VAL CB C 28 34.549 35.138 -0.589 1
1 221 . 16 1 1 A 28 28 VAL C C 28 174.171 173.991 0.180 1
1 222 . 16 1 1 A 29 29 PRO CA C 29 64.354 62.346 2.008 1
1 223 . 16 1 1 A 29 29 PRO HA H 29 4.064 4.623 -0.559 1
1 224 . 16 1 1 A 29 29 PRO CB C 29 31.464 31.590 -0.126 1
1 233 . 16 1 1 A 29 29 PRO C C 29 174.718 175.703 -0.985 1
1 234 . 16 1 1 A 30 30 ALA N N 30 131.821 126.720 5.101 1
1 235 . 16 1 1 A 30 30 ALA H H 30 8.990 8.063 0.927 1
1 236 . 16 1 1 A 30 30 ALA CA C 30 50.482 50.690 -0.208 1
1 237 . 16 1 1 A 30 30 ALA HA H 30 4.558 4.879 -0.321 1
1 238 . 16 1 1 A 30 30 ALA CB C 30 18.793 21.451 -2.658 1
1 242 . 16 1 1 A 30 30 ALA C C 30 176.319 175.788 0.531 1
1 243 . 16 1 1 A 31 31 GLU N N 31 119.523 120.527 -1.004 1
1 244 . 16 1 1 A 31 31 GLU H H 31 8.273 8.985 -0.712 1
1 245 . 16 1 1 A 31 31 GLU CA C 31 55.261 54.419 0.842 1
1 246 . 16 1 1 A 31 31 GLU HA H 31 5.290 5.533 -0.243 1
1 247 . 16 1 1 A 31 31 GLU CB C 31 33.484 33.597 -0.113 1
1 253 . 16 1 1 A 31 31 GLU C C 31 176.617 175.253 1.364 1
1 254 . 16 1 1 A 32 32 PHE N N 32 115.139 117.422 -2.283 1
1 255 . 16 1 1 A 32 32 PHE H H 32 8.905 7.939 0.966 1
1 256 . 16 1 1 A 32 32 PHE CA C 32 57.490 55.293 2.197 1
1 257 . 16 1 1 A 32 32 PHE HA H 32 5.031 5.421 -0.390 1
1 258 . 16 1 1 A 32 32 PHE CB C 32 39.989 41.878 -1.889 1
1 271 . 16 1 1 A 32 32 PHE C C 32 172.714 172.419 0.295 1
1 272 . 16 1 1 A 33 33 SER CA C 33 57.324 57.310 0.014 1
1 273 . 16 1 1 A 33 33 SER HA H 33 5.404 4.855 0.549 1
1 274 . 16 1 1 A 33 33 SER CB C 33 66.623 64.417 2.206 1
1 277 . 16 1 1 A 34 34 ILE N N 34 127.688 125.823 1.865 1
1 278 . 16 1 1 A 34 34 ILE H H 34 9.577 8.842 0.735 1
1 279 . 16 1 1 A 34 34 ILE CA C 34 60.614 60.162 0.452 1
1 280 . 16 1 1 A 34 34 ILE HA H 34 4.668 4.522 0.146 1
1 281 . 16 1 1 A 34 34 ILE CB C 34 41.681 39.570 2.111 1
1 294 . 16 1 1 A 35 35 TRP CA C 35 58.440 56.034 2.406 1
1 295 . 16 1 1 A 35 35 TRP HA H 35 5.262 5.130 0.132 1
1 296 . 16 1 1 A 35 35 TRP CB C 35 30.511 31.208 -0.697 1
1 311 . 16 1 1 A 36 36 THR N N 36 114.021 113.739 0.282 1
1 312 . 16 1 1 A 36 36 THR H H 36 8.680 8.598 0.082 1
1 313 . 16 1 1 A 36 36 THR CA C 36 61.459 60.538 0.921 1
1 314 . 16 1 1 A 36 36 THR HA H 36 4.364 4.766 -0.402 1
1 315 . 16 1 1 A 36 36 THR CB C 36 69.197 68.690 0.507 1
1 321 . 16 1 1 A 37 37 ARG CA C 37 56.501 57.733 -1.232 1
1 322 . 16 1 1 A 37 37 ARG HA H 37 4.207 4.133 0.074 1
1 323 . 16 1 1 A 37 37 ARG CB C 37 30.884 29.516 1.368 1
1 332 . 16 1 1 A 37 37 ARG C C 37 173.005 176.697 -3.692 1
1 333 . 16 1 1 A 38 38 GLU H H 38 8.371 7.837 0.534 1
1 334 . 16 1 1 A 38 38 GLU CA C 38 56.895 56.114 0.781 1
1 335 . 16 1 1 A 38 38 GLU HA H 38 4.270 4.480 -0.210 1
1 336 . 16 1 1 A 38 38 GLU CB C 38 30.001 30.331 -0.330 1
1 342 . 16 1 1 A 39 39 ALA N N 39 121.133 121.081 0.052 1
1 343 . 16 1 1 A 39 39 ALA H H 39 7.665 7.487 0.178 1
1 344 . 16 1 1 A 39 39 ALA CA C 39 52.963 51.087 1.876 1
1 345 . 16 1 1 A 39 39 ALA HA H 39 3.964 4.761 -0.797 1
1 346 . 16 1 1 A 39 39 ALA CB C 39 21.097 23.310 -2.213 1
1 350 . 16 1 1 A 39 39 ALA C C 39 177.871 176.703 1.168 1
1 351 . 16 1 1 A 40 40 GLY N N 40 105.600 106.240 -0.640 1
1 352 . 16 1 1 A 40 40 GLY H H 40 7.654 8.659 -1.005 1
1 353 . 16 1 1 A 40 40 GLY CA C 40 44.261 44.207 0.054 1
1 354 . 16 1 1 A 40 40 GLY HA2 H 40 3.766 4.202 -0.436 1
1 355 . 16 1 1 A 40 40 GLY HA3 H 40 4.196 4.227 -0.031 1
1 356 . 16 1 1 A 40 40 GLY C C 40 172.824 173.086 -0.262 1
1 357 . 16 1 1 A 41 41 ALA N N 41 122.720 123.195 -0.475 1
1 358 . 16 1 1 A 41 41 ALA H H 41 8.364 8.251 0.113 1
1 359 . 16 1 1 A 41 41 ALA CA C 41 52.502 51.656 0.846 1
1 360 . 16 1 1 A 41 41 ALA HA H 41 4.396 4.647 -0.251 1
1 361 . 16 1 1 A 41 41 ALA CB C 41 19.295 19.079 0.216 1
1 365 . 16 1 1 A 41 41 ALA C C 41 178.393 177.310 1.083 1
1 366 . 16 1 1 A 42 42 GLY N N 42 109.713 109.536 0.177 1
1 367 . 16 1 1 A 42 42 GLY H H 42 8.194 8.737 -0.543 1
1 368 . 16 1 1 A 42 42 GLY CA C 42 45.853 44.635 1.218 1
1 369 . 16 1 1 A 42 42 GLY HA2 H 42 3.616 4.220 -0.604 1
1 370 . 16 1 1 A 42 42 GLY HA3 H 42 3.761 4.319 -0.558 1
1 371 . 16 1 1 A 42 42 GLY C C 42 172.178 172.466 -0.288 1
1 372 . 16 1 1 A 43 43 GLY N N 43 105.505 107.256 -1.751 1
1 373 . 16 1 1 A 43 43 GLY H H 43 7.422 8.354 -0.932 1
1 374 . 16 1 1 A 43 43 GLY CA C 43 44.382 44.170 0.212 1
1 375 . 16 1 1 A 43 43 GLY HA2 H 43 3.420 3.977 -0.557 1
1 376 . 16 1 1 A 43 43 GLY HA3 H 43 4.295 4.043 0.252 1
1 377 . 16 1 1 A 43 43 GLY C C 43 172.885 173.050 -0.165 1
1 378 . 16 1 1 A 44 44 LEU N N 44 125.007 121.952 3.055 1
1 379 . 16 1 1 A 44 44 LEU H H 44 8.525 8.523 0.002 1
1 380 . 16 1 1 A 44 44 LEU CA C 44 53.589 53.985 -0.396 1
1 381 . 16 1 1 A 44 44 LEU HA H 44 5.357 4.960 0.397 1
1 382 . 16 1 1 A 44 44 LEU CB C 44 45.602 46.309 -0.707 1
1 395 . 16 1 1 A 44 44 LEU C C 44 177.034 174.547 2.487 1
1 396 . 16 1 1 A 45 45 SER N N 45 117.626 120.070 -2.444 1
1 397 . 16 1 1 A 45 45 SER H H 45 9.010 8.825 0.185 1
1 398 . 16 1 1 A 45 45 SER CA C 45 57.065 56.694 0.371 1
1 399 . 16 1 1 A 45 45 SER HA H 45 4.660 5.400 -0.740 1
1 400 . 16 1 1 A 45 45 SER CB C 45 65.309 64.983 0.326 1
1 403 . 16 1 1 A 45 45 SER C C 45 172.724 173.486 -0.762 1
1 404 . 16 1 1 A 46 46 ILE N N 46 125.604 126.835 -1.231 1
1 405 . 16 1 1 A 46 46 ILE H H 46 8.584 9.034 -0.450 1
1 406 . 16 1 1 A 46 46 ILE CA C 46 59.369 60.184 -0.815 1
1 407 . 16 1 1 A 46 46 ILE HA H 46 5.182 5.161 0.021 1
1 408 . 16 1 1 A 46 46 ILE CB C 46 40.879 40.935 -0.056 1
1 421 . 16 1 1 A 46 46 ILE C C 46 174.318 174.490 -0.172 1
1 422 . 16 1 1 A 47 47 ALA N N 47 128.948 128.808 0.140 1
1 423 . 16 1 1 A 47 47 ALA H H 47 8.762 9.028 -0.266 1
1 424 . 16 1 1 A 47 47 ALA CA C 47 51.123 50.950 0.173 1
1 425 . 16 1 1 A 47 47 ALA HA H 47 4.724 5.230 -0.506 1
1 426 . 16 1 1 A 47 47 ALA CB C 47 22.575 22.326 0.249 1
1 430 . 16 1 1 A 47 47 ALA C C 47 175.131 175.679 -0.548 1
1 431 . 16 1 1 A 48 48 VAL N N 48 121.512 123.636 -2.124 1
1 432 . 16 1 1 A 48 48 VAL H H 48 8.640 8.869 -0.229 1
1 433 . 16 1 1 A 48 48 VAL CA C 48 61.770 61.594 0.176 1
1 434 . 16 1 1 A 48 48 VAL HA H 48 4.749 4.631 0.118 1
1 435 . 16 1 1 A 48 48 VAL CB C 48 33.642 32.820 0.822 1
1 445 . 16 1 1 A 48 48 VAL C C 48 174.870 175.722 -0.852 1
1 446 . 16 1 1 A 49 49 GLU N N 49 126.757 125.278 1.479 1
1 447 . 16 1 1 A 49 49 GLU H H 49 8.898 8.659 0.239 1
1 448 . 16 1 1 A 49 49 GLU CA C 49 54.457 54.809 -0.352 1
1 449 . 16 1 1 A 49 49 GLU HA H 49 5.003 5.236 -0.233 1
1 450 . 16 1 1 A 49 49 GLU CB C 49 33.209 33.062 0.147 1
1 456 . 16 1 1 A 49 49 GLU C C 49 175.282 176.046 -0.764 1
1 457 . 16 1 1 A 50 50 GLY N N 50 112.668 110.486 2.182 1
1 458 . 16 1 1 A 50 50 GLY H H 50 8.563 8.529 0.034 1
1 459 . 16 1 1 A 50 50 GLY CA C 50 45.534 44.772 0.762 1
1 460 . 16 1 1 A 50 50 GLY HA2 H 50 3.481 3.504 -0.023 1
1 461 . 16 1 1 A 50 50 GLY HA3 H 50 3.836 4.017 -0.181 1
1 462 . 16 1 1 A 50 50 GLY C C 50 171.670 174.008 -2.338 1
1 463 . 16 1 1 A 51 51 PRO CA C 51 64.371 63.946 0.425 1
1 464 . 16 1 1 A 51 51 PRO HA H 51 4.309 4.391 -0.082 1
1 465 . 16 1 1 A 51 51 PRO CB C 51 32.183 31.829 0.354 1
1 474 . 16 1 1 A 51 51 PRO C C 51 175.938 176.135 -0.197 1
1 475 . 16 1 1 A 52 52 SER N N 52 109.776 114.248 -4.472 1
1 476 . 16 1 1 A 52 52 SER H H 52 7.281 7.521 -0.240 1
1 477 . 16 1 1 A 52 52 SER CA C 52 56.747 57.843 -1.096 1
1 478 . 16 1 1 A 52 52 SER HA H 52 4.688 4.852 -0.164 1
1 479 . 16 1 1 A 52 52 SER CB C 52 65.901 66.989 -1.088 1
1 482 . 16 1 1 A 52 52 SER C C 52 172.748 173.164 -0.416 1
1 483 . 16 1 1 A 53 53 LYS N N 53 121.441 125.656 -4.215 1
1 484 . 16 1 1 A 53 53 LYS H H 53 8.607 8.521 0.086 1
1 485 . 16 1 1 A 53 53 LYS CA C 53 56.641 57.267 -0.626 1
1 486 . 16 1 1 A 53 53 LYS HA H 53 4.391 4.326 0.065 1
1 487 . 16 1 1 A 53 53 LYS CB C 53 32.323 33.429 -1.106 1
1 499 . 16 1 1 A 53 53 LYS C C 53 175.721 175.644 0.077 1
1 500 . 16 1 1 A 54 54 ALA N N 54 129.914 128.801 1.113 1
1 501 . 16 1 1 A 54 54 ALA H H 54 8.941 8.664 0.277 1
1 502 . 16 1 1 A 54 54 ALA CA C 54 50.924 50.148 0.776 1
1 503 . 16 1 1 A 54 54 ALA HA H 54 4.962 5.268 -0.306 1
1 504 . 16 1 1 A 54 54 ALA CB C 54 20.004 23.042 -3.038 1
1 508 . 16 1 1 A 54 54 ALA C C 54 176.618 175.230 1.388 1
1 509 . 16 1 1 A 55 55 GLU N N 55 122.179 121.528 0.651 1
1 510 . 16 1 1 A 55 55 GLU H H 55 8.153 9.081 -0.928 1
1 511 . 16 1 1 A 55 55 GLU CA C 55 55.689 56.279 -0.590 1
1 512 . 16 1 1 A 55 55 GLU HA H 55 4.569 4.769 -0.200 1
1 513 . 16 1 1 A 55 55 GLU CB C 55 31.003 30.919 0.084 1
1 519 . 16 1 1 A 55 55 GLU C C 55 176.867 175.282 1.585 1
1 520 . 16 1 1 A 56 56 ILE N N 56 127.733 126.488 1.245 1
1 521 . 16 1 1 A 56 56 ILE H H 56 8.948 8.687 0.261 1
1 522 . 16 1 1 A 56 56 ILE CA C 56 61.345 60.238 1.107 1
1 523 . 16 1 1 A 56 56 ILE HA H 56 4.744 5.147 -0.403 1
1 524 . 16 1 1 A 56 56 ILE CB C 56 40.978 42.501 -1.523 1
1 537 . 16 1 1 A 56 56 ILE C C 56 175.675 174.863 0.812 1
1 538 . 16 1 1 A 57 57 THR N N 57 124.172 123.862 0.310 1
1 539 . 16 1 1 A 57 57 THR H H 57 9.410 8.959 0.451 1
1 540 . 16 1 1 A 57 57 THR CA C 57 61.999 61.449 0.550 1
1 541 . 16 1 1 A 57 57 THR HA H 57 4.504 5.019 -0.515 1
1 542 . 16 1 1 A 57 57 THR CB C 57 70.660 70.783 -0.123 1
1 548 . 16 1 1 A 57 57 THR C C 57 172.131 172.802 -0.671 1
1 549 . 16 1 1 A 58 58 PHE N N 58 126.429 128.180 -1.751 1
1 550 . 16 1 1 A 58 58 PHE H H 58 8.796 9.084 -0.288 1
1 551 . 16 1 1 A 58 58 PHE CA C 58 56.680 56.028 0.652 1
1 552 . 16 1 1 A 58 58 PHE HA H 58 4.981 5.317 -0.336 1
1 553 . 16 1 1 A 58 58 PHE CB C 58 42.400 41.578 0.822 1
1 566 . 16 1 1 A 58 58 PHE C C 58 173.719 173.433 0.286 1
1 567 . 16 1 1 A 59 59 ASP N N 59 126.210 126.927 -0.717 1
1 568 . 16 1 1 A 59 59 ASP H H 59 8.707 8.934 -0.227 1
1 569 . 16 1 1 A 59 59 ASP CA C 59 52.784 53.453 -0.669 1
1 570 . 16 1 1 A 59 59 ASP HA H 59 4.677 5.383 -0.706 1
1 571 . 16 1 1 A 59 59 ASP CB C 59 42.738 43.157 -0.419 1
1 574 . 16 1 1 A 59 59 ASP C C 59 173.710 174.206 -0.496 1
1 575 . 16 1 1 A 60 60 ASP N N 60 123.675 126.019 -2.344 1
1 576 . 16 1 1 A 60 60 ASP H H 60 8.490 9.052 -0.562 1
1 577 . 16 1 1 A 60 60 ASP CA C 60 53.871 52.558 1.313 1
1 578 . 16 1 1 A 60 60 ASP HA H 60 4.447 5.501 -1.054 1
1 579 . 16 1 1 A 60 60 ASP CB C 60 41.108 42.100 -0.992 1
1 582 . 16 1 1 A 60 60 ASP C C 60 176.691 176.083 0.608 1
1 583 . 16 1 1 A 61 61 HIS N N 61 124.385 122.869 1.516 1
1 584 . 16 1 1 A 61 61 HIS H H 61 8.122 8.726 -0.604 1
1 585 . 16 1 1 A 61 61 HIS CA C 61 55.608 60.232 -4.624 1
1 586 . 16 1 1 A 61 61 HIS HA H 61 4.769 4.197 0.572 1
1 587 . 16 1 1 A 61 61 HIS CB C 61 28.607 30.038 -1.431 1
1 594 . 16 1 1 A 61 61 HIS C C 61 175.701 174.822 0.879 1
1 595 . 16 1 1 A 62 62 LYS N N 62 115.195 116.600 -1.405 1
1 596 . 16 1 1 A 62 62 LYS H H 62 9.178 7.786 1.392 1
1 597 . 16 1 1 A 62 62 LYS CA C 62 57.585 54.414 3.171 1
1 598 . 16 1 1 A 62 62 LYS HA H 62 4.028 4.459 -0.431 1
1 599 . 16 1 1 A 62 62 LYS CB C 62 29.373 34.654 -5.281 1
1 611 . 16 1 1 A 63 63 ASN N N 63 116.167 118.342 -2.175 1
1 612 . 16 1 1 A 63 63 ASN H H 63 7.900 8.785 -0.885 1
1 613 . 16 1 1 A 63 63 ASN CA C 63 52.056 52.453 -0.397 1
1 614 . 16 1 1 A 63 63 ASN HA H 63 4.835 4.828 0.007 1
1 615 . 16 1 1 A 63 63 ASN CB C 63 38.468 37.821 0.647 1
1 621 . 16 1 1 A 63 63 ASN C C 63 176.634 174.576 2.058 1
1 622 . 16 1 1 A 64 64 GLY N N 64 108.877 109.164 -0.287 1
1 623 . 16 1 1 A 64 64 GLY H H 64 8.718 7.754 0.964 1
1 624 . 16 1 1 A 64 64 GLY CA C 64 45.534 44.787 0.747 1
1 625 . 16 1 1 A 64 64 GLY HA2 H 64 3.619 4.271 -0.652 1
1 626 . 16 1 1 A 64 64 GLY HA3 H 64 4.247 4.285 -0.038 1
1 627 . 16 1 1 A 65 65 SER N N 65 115.229 120.409 -5.180 1
1 628 . 16 1 1 A 65 65 SER H H 65 7.962 8.714 -0.752 1
1 629 . 16 1 1 A 65 65 SER CA C 65 57.108 58.925 -1.817 1
1 630 . 16 1 1 A 65 65 SER HA H 65 5.531 4.402 1.129 1
1 631 . 16 1 1 A 65 65 SER CB C 65 67.290 63.864 3.426 1
1 634 . 16 1 1 A 66 66 CYS N N 66 118.007 125.732 -7.725 1
1 635 . 16 1 1 A 66 66 CYS H H 66 8.807 8.653 0.154 1
1 636 . 16 1 1 A 66 66 CYS CA C 66 56.476 61.053 -4.577 1
1 637 . 16 1 1 A 66 66 CYS HA H 66 4.672 4.315 0.357 1
1 638 . 16 1 1 A 66 66 CYS CB C 66 31.077 28.716 2.361 1
1 641 . 16 1 1 A 67 67 GLY N N 67 112.448 104.188 8.260 1
1 642 . 16 1 1 A 67 67 GLY H H 67 8.679 7.165 1.514 1
1 643 . 16 1 1 A 67 67 GLY CA C 67 45.004 45.434 -0.430 1
1 644 . 16 1 1 A 67 67 GLY HA2 H 67 3.629 3.747 -0.118 1
1 645 . 16 1 1 A 67 67 GLY HA3 H 67 4.645 3.821 0.824 1
1 646 . 16 1 1 A 67 67 GLY C C 67 171.754 170.827 0.927 1
1 647 . 16 1 1 A 68 68 VAL N N 68 123.840 120.174 3.666 1
1 648 . 16 1 1 A 68 68 VAL H H 68 8.486 7.842 0.644 1
1 649 . 16 1 1 A 68 68 VAL CA C 68 60.143 60.847 -0.704 1
1 650 . 16 1 1 A 68 68 VAL HA H 68 4.579 4.463 0.116 1
1 651 . 16 1 1 A 68 68 VAL CB C 68 33.946 34.314 -0.368 1
1 661 . 16 1 1 A 68 68 VAL C C 68 174.396 174.802 -0.406 1
1 662 . 16 1 1 A 69 69 SER N N 69 119.414 120.944 -1.530 1
1 663 . 16 1 1 A 69 69 SER H H 69 8.450 8.432 0.018 1
1 664 . 16 1 1 A 69 69 SER CA C 69 56.169 55.483 0.686 1
1 665 . 16 1 1 A 69 69 SER HA H 69 5.442 5.542 -0.100 1
1 666 . 16 1 1 A 69 69 SER CB C 69 65.640 66.380 -0.740 1
1 669 . 16 1 1 A 69 69 SER C C 69 173.189 173.449 -0.260 1
1 670 . 16 1 1 A 70 70 TYR N N 70 119.504 117.565 1.939 1
1 671 . 16 1 1 A 70 70 TYR H H 70 8.771 8.525 0.246 1
1 672 . 16 1 1 A 70 70 TYR CA C 70 54.962 55.876 -0.914 1
1 673 . 16 1 1 A 70 70 TYR HA H 70 5.922 5.887 0.035 1
1 674 . 16 1 1 A 70 70 TYR CB C 70 42.710 42.330 0.380 1
1 685 . 16 1 1 A 70 70 TYR C C 70 173.056 173.248 -0.192 1
1 686 . 16 1 1 A 71 71 ILE N N 71 117.727 121.300 -3.573 1
1 687 . 16 1 1 A 71 71 ILE H H 71 8.196 8.513 -0.317 1
1 688 . 16 1 1 A 71 71 ILE CA C 71 60.132 60.111 0.021 1
1 689 . 16 1 1 A 71 71 ILE HA H 71 4.161 4.517 -0.356 1
1 690 . 16 1 1 A 71 71 ILE CB C 71 40.790 41.859 -1.069 1
1 703 . 16 1 1 A 71 71 ILE C C 71 175.114 174.888 0.226 1
1 704 . 16 1 1 A 72 72 ALA N N 72 133.145 129.440 3.705 1
1 705 . 16 1 1 A 72 72 ALA H H 72 9.466 8.454 1.012 1
1 706 . 16 1 1 A 72 72 ALA CA C 72 50.261 50.259 0.002 1
1 707 . 16 1 1 A 72 72 ALA HA H 72 4.567 4.547 0.020 1
1 708 . 16 1 1 A 72 72 ALA CB C 72 19.699 19.120 0.579 1
1 712 . 16 1 1 A 72 72 ALA C C 72 177.170 177.729 -0.559 1
1 713 . 16 1 1 A 73 73 GLN N N 73 120.464 124.605 -4.141 1
1 714 . 16 1 1 A 73 73 GLN H H 73 8.649 8.598 0.051 1
1 715 . 16 1 1 A 73 73 GLN CA C 73 57.614 58.980 -1.366 1
1 716 . 16 1 1 A 73 73 GLN HA H 73 4.083 4.063 0.020 1
1 717 . 16 1 1 A 73 73 GLN CB C 73 29.667 28.696 0.971 1
1 726 . 16 1 1 A 73 73 GLN C C 73 175.643 176.344 -0.701 1
1 727 . 16 1 1 A 74 74 GLU N N 74 114.557 117.888 -3.331 1
1 728 . 16 1 1 A 74 74 GLU H H 74 7.102 8.167 -1.065 1
1 729 . 16 1 1 A 74 74 GLU CA C 74 52.242 53.026 -0.784 1
1 730 . 16 1 1 A 74 74 GLU HA H 74 4.988 4.782 0.206 1
1 731 . 16 1 1 A 74 74 GLU CB C 74 31.732 30.808 0.924 1
1 737 . 16 1 1 A 74 74 GLU C C 74 174.462 173.996 0.466 1
1 738 . 16 1 1 A 75 75 PRO CA C 75 63.007 63.255 -0.248 1
1 739 . 16 1 1 A 75 75 PRO HA H 75 4.335 4.698 -0.363 1
1 740 . 16 1 1 A 75 75 PRO CB C 75 32.866 32.787 0.079 1
1 749 . 16 1 1 A 75 75 PRO C C 75 174.572 175.911 -1.339 1
1 750 . 16 1 1 A 76 76 GLY N N 76 107.234 107.822 -0.588 1
1 751 . 16 1 1 A 76 76 GLY H H 76 9.012 8.196 0.816 1
1 752 . 16 1 1 A 76 76 GLY CA C 76 44.615 45.014 -0.399 1
1 753 . 16 1 1 A 76 76 GLY HA2 H 76 3.850 4.184 -0.334 1
1 754 . 16 1 1 A 76 76 GLY HA3 H 76 4.201 4.210 -0.009 1
1 755 . 16 1 1 A 76 76 GLY C C 76 171.133 171.982 -0.849 1
1 756 . 16 1 1 A 77 77 ASN N N 77 119.292 118.701 0.591 1
1 757 . 16 1 1 A 77 77 ASN H H 77 8.549 8.462 0.087 1
1 758 . 16 1 1 A 77 77 ASN CA C 77 52.364 52.961 -0.597 1
1 759 . 16 1 1 A 77 77 ASN HA H 77 5.369 5.189 0.180 1
1 760 . 16 1 1 A 77 77 ASN CB C 77 39.176 39.257 -0.081 1
1 766 . 16 1 1 A 77 77 ASN C C 77 174.470 174.177 0.293 1
1 767 . 16 1 1 A 78 78 TYR N N 78 123.809 124.682 -0.873 1
1 768 . 16 1 1 A 78 78 TYR H H 78 9.094 8.972 0.122 1
1 769 . 16 1 1 A 78 78 TYR CA C 78 56.818 57.378 -0.560 1
1 770 . 16 1 1 A 78 78 TYR HA H 78 4.859 5.054 -0.195 1
1 771 . 16 1 1 A 78 78 TYR CB C 78 39.860 39.550 0.310 1
1 782 . 16 1 1 A 78 78 TYR C C 78 174.184 174.797 -0.613 1
1 783 . 16 1 1 A 79 79 GLU N N 79 122.250 125.646 -3.396 1
1 784 . 16 1 1 A 79 79 GLU H H 79 9.259 9.022 0.237 1
1 785 . 16 1 1 A 79 79 GLU CA C 79 54.692 55.990 -1.298 1
1 786 . 16 1 1 A 79 79 GLU HA H 79 5.313 4.973 0.340 1
1 787 . 16 1 1 A 79 79 GLU CB C 79 32.159 30.183 1.976 1
1 793 . 16 1 1 A 79 79 GLU C C 79 176.631 175.212 1.419 1
1 794 . 16 1 1 A 80 80 VAL N N 80 131.418 127.915 3.503 1
1 795 . 16 1 1 A 80 80 VAL H H 80 9.761 8.451 1.310 1
1 796 . 16 1 1 A 80 80 VAL CA C 80 61.522 62.523 -1.001 1
1 797 . 16 1 1 A 80 80 VAL HA H 80 4.801 4.659 0.142 1
1 798 . 16 1 1 A 80 80 VAL CB C 80 32.818 31.562 1.256 1
1 808 . 16 1 1 A 80 80 VAL C C 80 175.573 175.258 0.315 1
1 809 . 16 1 1 A 81 81 SER N N 81 123.238 122.710 0.528 1
1 810 . 16 1 1 A 81 81 SER H H 81 9.457 9.341 0.116 1
1 811 . 16 1 1 A 81 81 SER CA C 81 57.589 57.347 0.242 1
1 812 . 16 1 1 A 81 81 SER HA H 81 5.167 5.104 0.063 1
1 813 . 16 1 1 A 81 81 SER CB C 81 64.882 64.144 0.738 1
1 816 . 16 1 1 A 81 81 SER C C 81 173.514 173.875 -0.361 1
1 817 . 16 1 1 A 82 82 ILE N N 82 126.261 128.330 -2.069 1
1 818 . 16 1 1 A 82 82 ILE H H 82 9.642 9.009 0.633 1
1 819 . 16 1 1 A 82 82 ILE CA C 82 60.992 60.004 0.988 1
1 820 . 16 1 1 A 82 82 ILE HA H 82 4.667 5.353 -0.686 1
1 821 . 16 1 1 A 82 82 ILE CB C 82 40.692 40.692 0.000 1
1 834 . 16 1 1 A 82 82 ILE C C 82 173.498 175.269 -1.771 1
1 835 . 16 1 1 A 83 83 LYS N N 83 123.477 126.694 -3.217 1
1 836 . 16 1 1 A 83 83 LYS H H 83 8.720 8.898 -0.178 1
1 837 . 16 1 1 A 83 83 LYS CA C 83 53.730 55.032 -1.302 1
1 838 . 16 1 1 A 83 83 LYS HA H 83 5.139 5.299 -0.160 1
1 839 . 16 1 1 A 83 83 LYS CB C 83 36.351 35.045 1.306 1
1 851 . 16 1 1 A 83 83 LYS C C 83 174.914 174.568 0.346 1
1 852 . 16 1 1 A 84 84 PHE N N 84 122.298 126.224 -3.926 1
1 853 . 16 1 1 A 84 84 PHE H H 84 9.154 9.020 0.134 1
1 854 . 16 1 1 A 84 84 PHE CA C 84 56.057 57.278 -1.221 1
1 855 . 16 1 1 A 84 84 PHE HA H 84 5.238 4.783 0.455 1
1 856 . 16 1 1 A 84 84 PHE CB C 84 43.136 40.778 2.358 1
1 867 . 16 1 1 A 84 84 PHE C C 84 175.864 175.050 0.814 1
1 868 . 16 1 1 A 85 85 ASN N N 85 127.936 125.162 2.774 1
1 869 . 16 1 1 A 85 85 ASN H H 85 9.040 9.249 -0.209 1
1 870 . 16 1 1 A 85 85 ASN CA C 85 54.448 54.424 0.024 1
1 871 . 16 1 1 A 85 85 ASN HA H 85 4.206 4.158 0.048 1
1 872 . 16 1 1 A 85 85 ASN CB C 85 36.554 36.686 -0.132 1
1 878 . 16 1 1 A 85 85 ASN C C 85 174.620 174.839 -0.219 1
1 879 . 16 1 1 A 86 86 ASP N N 86 108.763 115.889 -7.126 1
1 880 . 16 1 1 A 86 86 ASP H H 86 8.828 8.447 0.381 1
1 881 . 16 1 1 A 86 86 ASP CA C 86 56.405 55.368 1.037 1
1 882 . 16 1 1 A 86 86 ASP HA H 86 3.946 4.224 -0.278 1
1 883 . 16 1 1 A 86 86 ASP CB C 86 40.367 40.004 0.363 1
1 886 . 16 1 1 A 86 86 ASP C C 86 174.169 174.762 -0.593 1
1 887 . 16 1 1 A 87 87 GLU N N 87 119.289 117.384 1.905 1
1 888 . 16 1 1 A 87 87 GLU H H 87 7.510 7.621 -0.111 1
1 889 . 16 1 1 A 87 87 GLU CA C 87 54.483 54.819 -0.336 1
1 890 . 16 1 1 A 87 87 GLU HA H 87 4.743 4.938 -0.195 1
1 891 . 16 1 1 A 87 87 GLU CB C 87 32.763 33.153 -0.390 1
1 897 . 16 1 1 A 87 87 GLU C C 87 175.825 175.297 0.528 1
1 898 . 16 1 1 A 88 88 HIS N N 88 123.465 120.444 3.021 1
1 899 . 16 1 1 A 88 88 HIS H H 88 8.822 9.267 -0.445 1
1 900 . 16 1 1 A 88 88 HIS CA C 88 59.117 55.832 3.285 1
1 901 . 16 1 1 A 88 88 HIS HA H 88 4.511 5.005 -0.494 1
1 902 . 16 1 1 A 88 88 HIS CB C 88 32.254 30.870 1.384 1
1 909 . 16 1 1 A 88 88 HIS C C 88 177.352 175.605 1.747 1
1 910 . 16 1 1 A 89 89 ILE N N 89 117.945 122.481 -4.536 1
1 911 . 16 1 1 A 89 89 ILE H H 89 8.131 8.730 -0.599 1
1 912 . 16 1 1 A 89 89 ILE CA C 89 61.121 59.494 1.627 1
1 913 . 16 1 1 A 89 89 ILE HA H 89 4.519 4.600 -0.081 1
1 914 . 16 1 1 A 89 89 ILE CB C 89 35.538 37.696 -2.158 1
1 927 . 16 1 1 A 89 89 ILE C C 89 173.831 176.701 -2.870 1
1 928 . 16 1 1 A 90 90 PRO CA C 90 66.545 64.297 2.248 1
1 929 . 16 1 1 A 90 90 PRO HA H 90 4.223 4.545 -0.322 1
1 930 . 16 1 1 A 90 90 PRO CB C 90 31.693 31.463 0.230 1
1 939 . 16 1 1 A 90 90 PRO C C 90 177.046 176.465 0.581 1
1 940 . 16 1 1 A 91 91 GLU N N 91 113.835 117.046 -3.211 1
1 941 . 16 1 1 A 91 91 GLU H H 91 8.223 8.291 -0.068 1
1 942 . 16 1 1 A 91 91 GLU CA C 91 57.913 56.213 1.700 1
1 943 . 16 1 1 A 91 91 GLU HA H 91 3.733 4.381 -0.648 1
1 944 . 16 1 1 A 91 91 GLU CB C 91 27.681 31.411 -3.730 1
1 950 . 16 1 1 A 91 91 GLU C C 91 173.469 175.570 -2.101 1
1 951 . 16 1 1 A 92 92 SER N N 92 111.462 113.810 -2.348 1
1 952 . 16 1 1 A 92 92 SER H H 92 7.489 7.624 -0.135 1
1 953 . 16 1 1 A 92 92 SER CA C 92 54.873 55.266 -0.393 1
1 954 . 16 1 1 A 92 92 SER HA H 92 4.427 4.539 -0.112 1
1 955 . 16 1 1 A 92 92 SER CB C 92 63.317 64.859 -1.542 1
1 958 . 16 1 1 A 92 92 SER C C 92 174.195 172.572 1.623 1
1 959 . 16 1 1 A 93 93 PRO CA C 93 62.333 62.444 -0.111 1
1 960 . 16 1 1 A 93 93 PRO HA H 93 5.483 4.713 0.770 1
1 961 . 16 1 1 A 93 93 PRO CB C 93 34.386 32.739 1.647 1
1 970 . 16 1 1 A 93 93 PRO C C 93 176.059 174.860 1.199 1
1 971 . 16 1 1 A 94 94 TYR N N 94 122.179 119.273 2.906 1
1 972 . 16 1 1 A 94 94 TYR H H 94 9.372 8.907 0.465 1
1 973 . 16 1 1 A 94 94 TYR CA C 94 57.101 56.843 0.258 1
1 974 . 16 1 1 A 94 94 TYR HA H 94 4.531 5.154 -0.623 1
1 975 . 16 1 1 A 94 94 TYR CB C 94 40.027 41.755 -1.728 1
1 986 . 16 1 1 A 94 94 TYR C C 94 175.281 174.277 1.004 1
1 987 . 16 1 1 A 95 95 LEU N N 95 126.428 124.304 2.124 1
1 988 . 16 1 1 A 95 95 LEU H H 95 8.807 8.687 0.120 1
1 989 . 16 1 1 A 95 95 LEU CA C 95 54.200 53.718 0.482 1
1 990 . 16 1 1 A 95 95 LEU HA H 95 4.981 5.186 -0.205 1
1 991 . 16 1 1 A 95 95 LEU CB C 95 41.894 44.715 -2.821 1
1 1004 . 16 1 1 A 95 95 LEU C C 95 176.295 174.520 1.775 1
1 1005 . 16 1 1 A 96 96 VAL N N 96 130.944 127.097 3.847 1
1 1006 . 16 1 1 A 96 96 VAL H H 96 9.629 8.706 0.923 1
1 1007 . 16 1 1 A 96 96 VAL CA C 96 59.813 59.397 0.416 1
1 1008 . 16 1 1 A 96 96 VAL HA H 96 4.469 4.634 -0.165 1
1 1009 . 16 1 1 A 96 96 VAL CB C 96 35.052 33.573 1.479 1
1 1019 . 16 1 1 A 96 96 VAL C C 96 173.734 174.488 -0.754 1
1 1020 . 16 1 1 A 97 97 PRO CA C 97 62.379 62.433 -0.054 1
1 1021 . 16 1 1 A 97 97 PRO HA H 97 5.016 4.835 0.181 1
1 1022 . 16 1 1 A 97 97 PRO CB C 97 32.163 31.432 0.731 1
1 1031 . 16 1 1 A 97 97 PRO C C 97 175.950 176.370 -0.420 1
1 1032 . 16 1 1 A 98 98 VAL N N 98 125.524 124.043 1.481 1
1 1033 . 16 1 1 A 98 98 VAL H H 98 9.196 8.936 0.260 1
1 1034 . 16 1 1 A 98 98 VAL CA C 98 61.345 62.871 -1.526 1
1 1035 . 16 1 1 A 98 98 VAL HA H 98 4.411 4.373 0.038 1
1 1036 . 16 1 1 A 98 98 VAL CB C 98 32.037 32.227 -0.190 1
1 1046 . 16 1 1 A 98 98 VAL C C 98 176.996 175.951 1.045 1
1 1047 . 16 1 1 A 99 99 ILE N N 99 124.035 122.440 1.595 1
1 1048 . 16 1 1 A 99 99 ILE H H 99 8.392 8.595 -0.203 1
1 1049 . 16 1 1 A 99 99 ILE CA C 99 59.802 58.511 1.291 1
1 1050 . 16 1 1 A 99 99 ILE HA H 99 4.651 5.028 -0.377 1
1 1051 . 16 1 1 A 99 99 ILE CB C 99 40.609 41.880 -1.271 1
1 1064 . 16 1 1 A 99 99 ILE C C 99 175.482 174.556 0.926 1
1 1065 . 16 1 1 A 100 100 ALA N N 100 125.837 125.273 0.564 1
1 1066 . 16 1 1 A 100 100 ALA H H 100 8.714 8.531 0.183 1
1 1067 . 16 1 1 A 100 100 ALA CA C 100 50.416 50.151 0.265 1
1 1068 . 16 1 1 A 100 100 ALA HA H 100 4.603 4.478 0.125 1
1 1069 . 16 1 1 A 100 100 ALA CB C 100 18.088 19.695 -1.607 1
1 1073 . 16 1 1 A 100 100 ALA C C 100 175.264 176.448 -1.184 1
1 1074 . 16 1 1 A 101 101 PRO CA C 101 63.104 62.804 0.300 1
1 1075 . 16 1 1 A 101 101 PRO HA H 101 4.483 4.522 -0.039 1
1 1076 . 16 1 1 A 101 101 PRO CB C 101 32.222 31.843 0.379 1
1 1085 . 16 1 1 A 101 101 PRO C C 101 176.976 177.254 -0.278 1
1 1086 . 16 1 1 A 102 102 SER N N 102 116.530 118.567 -2.037 1
1 1087 . 16 1 1 A 102 102 SER H H 102 8.527 8.306 0.221 1
1 1088 . 16 1 1 A 102 102 SER CA C 102 58.283 60.482 -2.199 1
1 1089 . 16 1 1 A 102 102 SER HA H 102 4.433 4.287 0.146 1
1 1090 . 16 1 1 A 102 102 SER CB C 102 64.078 64.070 0.008 1
1 1093 . 16 1 1 A 102 102 SER C C 102 174.510 174.600 -0.090 1
1 1094 . 16 1 1 A 103 103 ASP N N 103 123.018 123.844 -0.826 1
1 1095 . 16 1 1 A 103 103 ASP H H 103 8.450 8.737 -0.287 1
1 1096 . 16 1 1 A 103 103 ASP CA C 103 54.431 57.512 -3.081 1
1 1097 . 16 1 1 A 103 103 ASP HA H 103 4.654 4.433 0.221 1
1 1098 . 16 1 1 A 103 103 ASP CB C 103 41.226 41.223 0.003 1
1 1101 . 16 1 1 A 103 103 ASP C C 103 175.889 176.257 -0.368 1
1 1102 . 16 1 1 A 104 104 ASP N N 104 120.896 119.161 1.735 1
1 1103 . 16 1 1 A 104 104 ASP H H 104 8.264 7.857 0.407 1
1 1104 . 16 1 1 A 104 104 ASP CA C 104 54.283 54.112 0.171 1
1 1105 . 16 1 1 A 104 104 ASP HA H 104 4.601 4.770 -0.169 1
1 1106 . 16 1 1 A 104 104 ASP CB C 104 41.183 41.206 -0.023 1
1 1109 . 16 1 1 A 104 104 ASP C C 104 175.065 176.528 -1.463 1
1 1 . 17 1 1 A 7 7 GLY N N 7 110.767 114.092 -3.325 1
1 2 . 17 1 1 A 7 7 GLY H H 7 8.421 8.549 -0.128 1
1 3 . 17 1 1 A 7 7 GLY CA C 7 45.393 45.240 0.153 1
1 4 . 17 1 1 A 7 7 GLY HA2 H 7 4.003 4.205 -0.202 1
1 5 . 17 1 1 A 7 7 GLY HA3 H 7 4.003 4.205 -0.202 1
1 6 . 17 1 1 A 7 7 GLY C C 7 174.160 175.036 -0.876 1
1 7 . 17 1 1 A 8 8 GLU N N 8 120.419 120.615 -0.196 1
1 8 . 17 1 1 A 8 8 GLU H H 8 8.320 8.518 -0.198 1
1 9 . 17 1 1 A 8 8 GLU CA C 8 56.499 58.299 -1.800 1
1 10 . 17 1 1 A 8 8 GLU HA H 8 4.390 4.226 0.164 1
1 11 . 17 1 1 A 8 8 GLU CB C 8 30.615 30.657 -0.042 1
1 17 . 17 1 1 A 8 8 GLU C C 8 176.858 176.557 0.301 1
1 18 . 17 1 1 A 9 9 GLY N N 9 109.731 104.491 5.240 1
1 19 . 17 1 1 A 9 9 GLY H H 9 8.522 7.530 0.992 1
1 20 . 17 1 1 A 9 9 GLY CA C 9 45.110 44.521 0.589 1
1 21 . 17 1 1 A 9 9 GLY HA2 H 9 4.090 4.137 -0.047 1
1 22 . 17 1 1 A 9 9 GLY HA3 H 9 3.931 4.223 -0.292 1
1 23 . 17 1 1 A 9 9 GLY C C 9 173.933 171.841 2.092 1
1 24 . 17 1 1 A 10 10 GLY N N 10 107.139 108.320 -1.181 1
1 25 . 17 1 1 A 10 10 GLY H H 10 8.393 8.106 0.287 1
1 26 . 17 1 1 A 10 10 GLY CA C 10 45.039 46.211 -1.172 1
1 27 . 17 1 1 A 10 10 GLY HA2 H 10 3.868 4.473 -0.605 1
1 28 . 17 1 1 A 10 10 GLY HA3 H 10 4.528 4.485 0.043 1
1 29 . 17 1 1 A 10 10 GLY C C 10 174.561 174.060 0.501 1
1 30 . 17 1 1 A 11 11 ALA N N 11 122.466 123.178 -0.712 1
1 31 . 17 1 1 A 11 11 ALA H H 11 8.875 8.868 0.007 1
1 32 . 17 1 1 A 11 11 ALA CA C 11 55.391 54.927 0.464 1
1 33 . 17 1 1 A 11 11 ALA HA H 11 3.803 4.024 -0.221 1
1 34 . 17 1 1 A 11 11 ALA CB C 11 19.583 18.792 0.791 1
1 38 . 17 1 1 A 11 11 ALA C C 11 178.242 179.957 -1.715 1
1 39 . 17 1 1 A 12 12 HIS N N 12 111.513 115.400 -3.887 1
1 40 . 17 1 1 A 12 12 HIS H H 12 8.290 8.643 -0.353 1
1 41 . 17 1 1 A 12 12 HIS CA C 12 57.847 59.391 -1.544 1
1 42 . 17 1 1 A 12 12 HIS HA H 12 4.443 4.300 0.143 1
1 43 . 17 1 1 A 12 12 HIS CB C 12 29.321 28.739 0.582 1
1 50 . 17 1 1 A 12 12 HIS C C 12 176.189 178.070 -1.881 1
1 51 . 17 1 1 A 13 13 LYS N N 13 118.111 119.361 -1.250 1
1 52 . 17 1 1 A 13 13 LYS H H 13 7.558 7.086 0.472 1
1 53 . 17 1 1 A 13 13 LYS CA C 13 54.660 59.010 -4.350 1
1 54 . 17 1 1 A 13 13 LYS HA H 13 4.202 3.747 0.455 1
1 55 . 17 1 1 A 13 13 LYS CB C 13 32.655 31.954 0.701 1
1 67 . 17 1 1 A 13 13 LYS C C 13 176.721 177.646 -0.925 1
1 68 . 17 1 1 A 14 14 VAL N N 14 123.625 119.011 4.614 1
1 69 . 17 1 1 A 14 14 VAL H H 14 7.499 7.365 0.134 1
1 70 . 17 1 1 A 14 14 VAL CA C 14 63.247 63.007 0.240 1
1 71 . 17 1 1 A 14 14 VAL HA H 14 3.907 3.767 0.140 1
1 72 . 17 1 1 A 14 14 VAL CB C 14 31.649 31.425 0.224 1
1 82 . 17 1 1 A 15 15 ARG H H 15 8.106 8.759 -0.653 1
1 83 . 17 1 1 A 15 15 ARG CA C 15 53.791 54.090 -0.299 1
1 84 . 17 1 1 A 15 15 ARG HA H 15 5.021 5.029 -0.008 1
1 85 . 17 1 1 A 15 15 ARG CB C 15 34.207 33.733 0.474 1
1 94 . 17 1 1 A 16 16 ALA N N 16 123.795 121.741 2.054 1
1 95 . 17 1 1 A 16 16 ALA H H 16 8.875 8.667 0.208 1
1 96 . 17 1 1 A 16 16 ALA CA C 16 51.092 50.739 0.353 1
1 97 . 17 1 1 A 16 16 ALA HA H 16 5.569 5.219 0.350 1
1 98 . 17 1 1 A 16 16 ALA CB C 16 23.845 23.145 0.700 1
1 102 . 17 1 1 A 17 17 GLY N N 17 106.516 106.302 0.214 1
1 103 . 17 1 1 A 17 17 GLY H H 17 8.616 8.273 0.343 1
1 104 . 17 1 1 A 17 17 GLY CA C 17 46.205 45.808 0.397 1
1 105 . 17 1 1 A 17 17 GLY HA2 H 17 4.289 4.271 0.018 1
1 106 . 17 1 1 A 17 17 GLY HA3 H 17 4.226 4.278 -0.052 1
1 107 . 17 1 1 A 18 18 GLY N N 18 111.804 106.735 5.069 1
1 108 . 17 1 1 A 18 18 GLY H H 18 8.816 8.412 0.404 1
1 109 . 17 1 1 A 18 18 GLY CA C 18 44.595 44.344 0.251 1
1 110 . 17 1 1 A 18 18 GLY HA2 H 18 4.105 4.094 0.011 1
1 111 . 17 1 1 A 18 18 GLY HA3 H 18 4.105 4.119 -0.014 1
1 112 . 17 1 1 A 19 19 PRO CA C 19 65.526 63.700 1.826 1
1 113 . 17 1 1 A 19 19 PRO HA H 19 4.335 4.266 0.069 1
1 114 . 17 1 1 A 19 19 PRO CB C 19 31.790 31.456 0.334 1
1 123 . 17 1 1 A 19 19 PRO C C 19 179.208 177.408 1.800 1
1 124 . 17 1 1 A 20 20 GLY N N 20 103.234 112.142 -8.908 1
1 125 . 17 1 1 A 20 20 GLY H H 20 9.282 8.736 0.546 1
1 126 . 17 1 1 A 20 20 GLY CA C 20 46.361 45.364 0.997 1
1 127 . 17 1 1 A 20 20 GLY HA2 H 20 3.214 3.973 -0.759 1
1 128 . 17 1 1 A 20 20 GLY HA3 H 20 4.184 4.030 0.154 1
1 129 . 17 1 1 A 20 20 GLY C C 20 172.711 174.591 -1.880 1
1 130 . 17 1 1 A 21 21 LEU N N 21 116.307 120.066 -3.759 1
1 131 . 17 1 1 A 21 21 LEU H H 21 7.559 8.006 -0.447 1
1 132 . 17 1 1 A 21 21 LEU CA C 21 53.980 55.961 -1.981 1
1 133 . 17 1 1 A 21 21 LEU HA H 21 4.166 4.443 -0.277 1
1 134 . 17 1 1 A 21 21 LEU CB C 21 40.135 44.034 -3.899 1
1 147 . 17 1 1 A 21 21 LEU C C 21 175.859 178.167 -2.308 1
1 148 . 17 1 1 A 22 22 GLU N N 22 119.926 118.521 1.405 1
1 149 . 17 1 1 A 22 22 GLU H H 22 7.927 8.404 -0.477 1
1 150 . 17 1 1 A 22 22 GLU CA C 22 57.490 59.014 -1.524 1
1 151 . 17 1 1 A 22 22 GLU HA H 22 4.511 4.133 0.378 1
1 152 . 17 1 1 A 22 22 GLU CB C 22 32.057 29.078 2.979 1
1 158 . 17 1 1 A 22 22 GLU C C 22 175.521 176.303 -0.782 1
1 159 . 17 1 1 A 23 23 ARG N N 23 116.789 118.215 -1.426 1
1 160 . 17 1 1 A 23 23 ARG H H 23 8.340 7.715 0.625 1
1 161 . 17 1 1 A 23 23 ARG CA C 23 56.464 54.620 1.844 1
1 162 . 17 1 1 A 23 23 ARG HA H 23 4.688 4.994 -0.306 1
1 163 . 17 1 1 A 23 23 ARG CB C 23 32.571 34.787 -2.216 1
1 174 . 17 1 1 A 23 23 ARG C C 23 173.992 174.986 -0.994 1
1 175 . 17 1 1 A 24 24 GLY N N 24 108.837 107.740 1.097 1
1 176 . 17 1 1 A 24 24 GLY H H 24 8.736 8.505 0.231 1
1 177 . 17 1 1 A 24 24 GLY CA C 24 43.943 45.413 -1.470 1
1 178 . 17 1 1 A 24 24 GLY HA2 H 24 3.510 4.297 -0.787 1
1 179 . 17 1 1 A 24 24 GLY HA3 H 24 4.679 4.336 0.343 1
1 180 . 17 1 1 A 24 24 GLY C C 24 171.930 171.795 0.135 1
1 181 . 17 1 1 A 25 25 GLU N N 25 122.126 120.654 1.472 1
1 182 . 17 1 1 A 25 25 GLU H H 25 9.429 8.575 0.854 1
1 183 . 17 1 1 A 25 25 GLU CA C 25 54.209 54.576 -0.367 1
1 184 . 17 1 1 A 25 25 GLU HA H 25 5.049 5.320 -0.271 1
1 185 . 17 1 1 A 25 25 GLU CB C 25 32.945 33.248 -0.303 1
1 191 . 17 1 1 A 25 25 GLU C C 25 175.853 175.774 0.079 1
1 192 . 17 1 1 A 26 26 ALA N N 26 128.654 126.034 2.620 1
1 193 . 17 1 1 A 26 26 ALA H H 26 8.518 8.491 0.027 1
1 194 . 17 1 1 A 26 26 ALA CA C 26 53.187 53.877 -0.690 1
1 195 . 17 1 1 A 26 26 ALA HA H 26 3.855 4.343 -0.488 1
1 196 . 17 1 1 A 26 26 ALA CB C 26 17.420 18.489 -1.069 1
1 200 . 17 1 1 A 26 26 ALA C C 26 177.837 178.636 -0.799 1
1 201 . 17 1 1 A 27 27 GLY N N 27 108.210 110.608 -2.398 1
1 202 . 17 1 1 A 27 27 GLY H H 27 8.583 9.103 -0.520 1
1 203 . 17 1 1 A 27 27 GLY CA C 27 45.619 45.574 0.045 1
1 204 . 17 1 1 A 27 27 GLY HA2 H 27 3.364 3.833 -0.469 1
1 205 . 17 1 1 A 27 27 GLY HA3 H 27 4.158 3.841 0.317 1
1 206 . 17 1 1 A 27 27 GLY C C 27 173.084 173.464 -0.380 1
1 207 . 17 1 1 A 28 28 VAL N N 28 122.974 121.715 1.259 1
1 208 . 17 1 1 A 28 28 VAL H H 28 7.878 7.334 0.544 1
1 209 . 17 1 1 A 28 28 VAL CA C 28 59.182 58.809 0.373 1
1 210 . 17 1 1 A 28 28 VAL HA H 28 4.510 4.306 0.204 1
1 211 . 17 1 1 A 28 28 VAL CB C 28 34.549 34.022 0.527 1
1 221 . 17 1 1 A 28 28 VAL C C 28 174.171 174.598 -0.427 1
1 222 . 17 1 1 A 29 29 PRO CA C 29 64.354 62.121 2.233 1
1 223 . 17 1 1 A 29 29 PRO HA H 29 4.064 4.659 -0.595 1
1 224 . 17 1 1 A 29 29 PRO CB C 29 31.464 31.470 -0.006 1
1 233 . 17 1 1 A 29 29 PRO C C 29 174.718 175.654 -0.936 1
1 234 . 17 1 1 A 30 30 ALA N N 30 131.821 126.665 5.156 1
1 235 . 17 1 1 A 30 30 ALA H H 30 8.990 7.989 1.001 1
1 236 . 17 1 1 A 30 30 ALA CA C 30 50.482 50.734 -0.252 1
1 237 . 17 1 1 A 30 30 ALA HA H 30 4.558 4.693 -0.135 1
1 238 . 17 1 1 A 30 30 ALA CB C 30 18.793 19.975 -1.182 1
1 242 . 17 1 1 A 30 30 ALA C C 30 176.319 175.983 0.336 1
1 243 . 17 1 1 A 31 31 GLU N N 31 119.523 123.848 -4.325 1
1 244 . 17 1 1 A 31 31 GLU H H 31 8.273 9.093 -0.820 1
1 245 . 17 1 1 A 31 31 GLU CA C 31 55.261 55.104 0.157 1
1 246 . 17 1 1 A 31 31 GLU HA H 31 5.290 5.233 0.057 1
1 247 . 17 1 1 A 31 31 GLU CB C 31 33.484 32.821 0.663 1
1 253 . 17 1 1 A 31 31 GLU C C 31 176.617 175.745 0.872 1
1 254 . 17 1 1 A 32 32 PHE N N 32 115.139 120.298 -5.159 1
1 255 . 17 1 1 A 32 32 PHE H H 32 8.905 7.906 0.999 1
1 256 . 17 1 1 A 32 32 PHE CA C 32 57.490 54.948 2.542 1
1 257 . 17 1 1 A 32 32 PHE HA H 32 5.031 5.739 -0.708 1
1 258 . 17 1 1 A 32 32 PHE CB C 32 39.989 42.570 -2.581 1
1 271 . 17 1 1 A 32 32 PHE C C 32 172.714 173.422 -0.708 1
1 272 . 17 1 1 A 33 33 SER CA C 33 57.324 57.735 -0.411 1
1 273 . 17 1 1 A 33 33 SER HA H 33 5.404 4.854 0.550 1
1 274 . 17 1 1 A 33 33 SER CB C 33 66.623 63.763 2.860 1
1 277 . 17 1 1 A 34 34 ILE N N 34 127.688 120.356 7.332 1
1 278 . 17 1 1 A 34 34 ILE H H 34 9.577 8.966 0.611 1
1 279 . 17 1 1 A 34 34 ILE CA C 34 60.614 59.179 1.435 1
1 280 . 17 1 1 A 34 34 ILE HA H 34 4.668 4.785 -0.117 1
1 281 . 17 1 1 A 34 34 ILE CB C 34 41.681 40.802 0.879 1
1 294 . 17 1 1 A 35 35 TRP CA C 35 58.440 55.628 2.812 1
1 295 . 17 1 1 A 35 35 TRP HA H 35 5.262 5.278 -0.016 1
1 296 . 17 1 1 A 35 35 TRP CB C 35 30.511 33.243 -2.732 1
1 311 . 17 1 1 A 36 36 THR N N 36 114.021 117.280 -3.259 1
1 312 . 17 1 1 A 36 36 THR H H 36 8.680 8.967 -0.287 1
1 313 . 17 1 1 A 36 36 THR CA C 36 61.459 60.836 0.623 1
1 314 . 17 1 1 A 36 36 THR HA H 36 4.364 4.901 -0.537 1
1 315 . 17 1 1 A 36 36 THR CB C 36 69.197 69.522 -0.325 1
1 321 . 17 1 1 A 37 37 ARG CA C 37 56.501 55.712 0.789 1
1 322 . 17 1 1 A 37 37 ARG HA H 37 4.207 4.595 -0.388 1
1 323 . 17 1 1 A 37 37 ARG CB C 37 30.884 30.873 0.011 1
1 332 . 17 1 1 A 37 37 ARG C C 37 173.005 176.876 -3.871 1
1 333 . 17 1 1 A 38 38 GLU H H 38 8.371 9.112 -0.741 1
1 334 . 17 1 1 A 38 38 GLU CA C 38 56.895 57.415 -0.520 1
1 335 . 17 1 1 A 38 38 GLU HA H 38 4.270 3.918 0.352 1
1 336 . 17 1 1 A 38 38 GLU CB C 38 30.001 28.555 1.446 1
1 342 . 17 1 1 A 39 39 ALA N N 39 121.133 119.398 1.735 1
1 343 . 17 1 1 A 39 39 ALA H H 39 7.665 7.546 0.119 1
1 344 . 17 1 1 A 39 39 ALA CA C 39 52.963 50.674 2.289 1
1 345 . 17 1 1 A 39 39 ALA HA H 39 3.964 4.791 -0.827 1
1 346 . 17 1 1 A 39 39 ALA CB C 39 21.097 22.531 -1.434 1
1 350 . 17 1 1 A 39 39 ALA C C 39 177.871 175.903 1.968 1
1 351 . 17 1 1 A 40 40 GLY N N 40 105.600 105.680 -0.080 1
1 352 . 17 1 1 A 40 40 GLY H H 40 7.654 8.930 -1.276 1
1 353 . 17 1 1 A 40 40 GLY CA C 40 44.261 44.958 -0.697 1
1 354 . 17 1 1 A 40 40 GLY HA2 H 40 3.766 4.259 -0.493 1
1 355 . 17 1 1 A 40 40 GLY HA3 H 40 4.196 4.291 -0.095 1
1 356 . 17 1 1 A 40 40 GLY C C 40 172.824 173.868 -1.044 1
1 357 . 17 1 1 A 41 41 ALA N N 41 122.720 127.035 -4.315 1
1 358 . 17 1 1 A 41 41 ALA H H 41 8.364 8.470 -0.106 1
1 359 . 17 1 1 A 41 41 ALA CA C 41 52.502 53.248 -0.746 1
1 360 . 17 1 1 A 41 41 ALA HA H 41 4.396 4.288 0.108 1
1 361 . 17 1 1 A 41 41 ALA CB C 41 19.295 19.115 0.180 1
1 365 . 17 1 1 A 41 41 ALA C C 41 178.393 177.914 0.479 1
1 366 . 17 1 1 A 42 42 GLY N N 42 109.713 110.310 -0.597 1
1 367 . 17 1 1 A 42 42 GLY H H 42 8.194 8.441 -0.247 1
1 368 . 17 1 1 A 42 42 GLY CA C 42 45.853 44.363 1.490 1
1 369 . 17 1 1 A 42 42 GLY HA2 H 42 3.616 3.987 -0.371 1
1 370 . 17 1 1 A 42 42 GLY HA3 H 42 3.761 4.237 -0.476 1
1 371 . 17 1 1 A 42 42 GLY C C 42 172.178 172.633 -0.455 1
1 372 . 17 1 1 A 43 43 GLY N N 43 105.505 107.491 -1.986 1
1 373 . 17 1 1 A 43 43 GLY H H 43 7.422 8.356 -0.934 1
1 374 . 17 1 1 A 43 43 GLY CA C 43 44.382 44.658 -0.276 1
1 375 . 17 1 1 A 43 43 GLY HA2 H 43 3.420 3.914 -0.494 1
1 376 . 17 1 1 A 43 43 GLY HA3 H 43 4.295 3.939 0.356 1
1 377 . 17 1 1 A 43 43 GLY C C 43 172.885 172.772 0.113 1
1 378 . 17 1 1 A 44 44 LEU N N 44 125.007 122.216 2.791 1
1 379 . 17 1 1 A 44 44 LEU H H 44 8.525 8.543 -0.018 1
1 380 . 17 1 1 A 44 44 LEU CA C 44 53.589 53.708 -0.119 1
1 381 . 17 1 1 A 44 44 LEU HA H 44 5.357 4.997 0.360 1
1 382 . 17 1 1 A 44 44 LEU CB C 44 45.602 46.002 -0.400 1
1 395 . 17 1 1 A 44 44 LEU C C 44 177.034 174.813 2.221 1
1 396 . 17 1 1 A 45 45 SER N N 45 117.626 119.831 -2.205 1
1 397 . 17 1 1 A 45 45 SER H H 45 9.010 8.799 0.211 1
1 398 . 17 1 1 A 45 45 SER CA C 45 57.065 56.763 0.302 1
1 399 . 17 1 1 A 45 45 SER HA H 45 4.660 5.239 -0.579 1
1 400 . 17 1 1 A 45 45 SER CB C 45 65.309 65.028 0.281 1
1 403 . 17 1 1 A 45 45 SER C C 45 172.724 173.393 -0.669 1
1 404 . 17 1 1 A 46 46 ILE N N 46 125.604 126.379 -0.775 1
1 405 . 17 1 1 A 46 46 ILE H H 46 8.584 8.893 -0.309 1
1 406 . 17 1 1 A 46 46 ILE CA C 46 59.369 60.144 -0.775 1
1 407 . 17 1 1 A 46 46 ILE HA H 46 5.182 5.062 0.120 1
1 408 . 17 1 1 A 46 46 ILE CB C 46 40.879 41.391 -0.512 1
1 421 . 17 1 1 A 46 46 ILE C C 46 174.318 174.460 -0.142 1
1 422 . 17 1 1 A 47 47 ALA N N 47 128.948 128.627 0.321 1
1 423 . 17 1 1 A 47 47 ALA H H 47 8.762 8.697 0.065 1
1 424 . 17 1 1 A 47 47 ALA CA C 47 51.123 50.937 0.186 1
1 425 . 17 1 1 A 47 47 ALA HA H 47 4.724 5.213 -0.489 1
1 426 . 17 1 1 A 47 47 ALA CB C 47 22.575 22.335 0.240 1
1 430 . 17 1 1 A 47 47 ALA C C 47 175.131 175.757 -0.626 1
1 431 . 17 1 1 A 48 48 VAL N N 48 121.512 123.717 -2.205 1
1 432 . 17 1 1 A 48 48 VAL H H 48 8.640 9.015 -0.375 1
1 433 . 17 1 1 A 48 48 VAL CA C 48 61.770 61.772 -0.002 1
1 434 . 17 1 1 A 48 48 VAL HA H 48 4.749 4.541 0.208 1
1 435 . 17 1 1 A 48 48 VAL CB C 48 33.642 31.990 1.652 1
1 445 . 17 1 1 A 48 48 VAL C C 48 174.870 175.072 -0.202 1
1 446 . 17 1 1 A 49 49 GLU N N 49 126.757 126.707 0.050 1
1 447 . 17 1 1 A 49 49 GLU H H 49 8.898 8.496 0.402 1
1 448 . 17 1 1 A 49 49 GLU CA C 49 54.457 54.883 -0.426 1
1 449 . 17 1 1 A 49 49 GLU HA H 49 5.003 5.319 -0.316 1
1 450 . 17 1 1 A 49 49 GLU CB C 49 33.209 32.346 0.863 1
1 456 . 17 1 1 A 49 49 GLU C C 49 175.282 176.526 -1.244 1
1 457 . 17 1 1 A 50 50 GLY N N 50 112.668 110.065 2.603 1
1 458 . 17 1 1 A 50 50 GLY H H 50 8.563 8.187 0.376 1
1 459 . 17 1 1 A 50 50 GLY CA C 50 45.534 45.212 0.322 1
1 460 . 17 1 1 A 50 50 GLY HA2 H 50 3.481 3.654 -0.173 1
1 461 . 17 1 1 A 50 50 GLY HA3 H 50 3.836 4.049 -0.213 1
1 462 . 17 1 1 A 50 50 GLY C C 50 171.670 173.983 -2.313 1
1 463 . 17 1 1 A 51 51 PRO CA C 51 64.371 63.935 0.436 1
1 464 . 17 1 1 A 51 51 PRO HA H 51 4.309 4.381 -0.072 1
1 465 . 17 1 1 A 51 51 PRO CB C 51 32.183 31.798 0.385 1
1 474 . 17 1 1 A 51 51 PRO C C 51 175.938 175.816 0.122 1
1 475 . 17 1 1 A 52 52 SER N N 52 109.776 111.550 -1.774 1
1 476 . 17 1 1 A 52 52 SER H H 52 7.281 7.343 -0.062 1
1 477 . 17 1 1 A 52 52 SER CA C 52 56.747 56.446 0.301 1
1 478 . 17 1 1 A 52 52 SER HA H 52 4.688 4.662 0.026 1
1 479 . 17 1 1 A 52 52 SER CB C 52 65.901 65.532 0.369 1
1 482 . 17 1 1 A 52 52 SER C C 52 172.748 171.966 0.782 1
1 483 . 17 1 1 A 53 53 LYS N N 53 121.441 123.113 -1.672 1
1 484 . 17 1 1 A 53 53 LYS H H 53 8.607 8.506 0.101 1
1 485 . 17 1 1 A 53 53 LYS CA C 53 56.641 55.448 1.193 1
1 486 . 17 1 1 A 53 53 LYS HA H 53 4.391 4.866 -0.475 1
1 487 . 17 1 1 A 53 53 LYS CB C 53 32.323 34.033 -1.710 1
1 499 . 17 1 1 A 53 53 LYS C C 53 175.721 175.470 0.251 1
1 500 . 17 1 1 A 54 54 ALA N N 54 129.914 129.344 0.570 1
1 501 . 17 1 1 A 54 54 ALA H H 54 8.941 9.095 -0.154 1
1 502 . 17 1 1 A 54 54 ALA CA C 54 50.924 50.117 0.807 1
1 503 . 17 1 1 A 54 54 ALA HA H 54 4.962 5.466 -0.504 1
1 504 . 17 1 1 A 54 54 ALA CB C 54 20.004 21.972 -1.968 1
1 508 . 17 1 1 A 54 54 ALA C C 54 176.618 175.836 0.782 1
1 509 . 17 1 1 A 55 55 GLU N N 55 122.179 122.040 0.139 1
1 510 . 17 1 1 A 55 55 GLU H H 55 8.153 8.750 -0.597 1
1 511 . 17 1 1 A 55 55 GLU CA C 55 55.689 56.612 -0.923 1
1 512 . 17 1 1 A 55 55 GLU HA H 55 4.569 4.591 -0.022 1
1 513 . 17 1 1 A 55 55 GLU CB C 55 31.003 30.624 0.379 1
1 519 . 17 1 1 A 55 55 GLU C C 55 176.867 175.551 1.316 1
1 520 . 17 1 1 A 56 56 ILE N N 56 127.733 126.212 1.521 1
1 521 . 17 1 1 A 56 56 ILE H H 56 8.948 8.632 0.316 1
1 522 . 17 1 1 A 56 56 ILE CA C 56 61.345 60.302 1.043 1
1 523 . 17 1 1 A 56 56 ILE HA H 56 4.744 5.183 -0.439 1
1 524 . 17 1 1 A 56 56 ILE CB C 56 40.978 42.327 -1.349 1
1 537 . 17 1 1 A 56 56 ILE C C 56 175.675 174.955 0.720 1
1 538 . 17 1 1 A 57 57 THR N N 57 124.172 122.949 1.223 1
1 539 . 17 1 1 A 57 57 THR H H 57 9.410 8.741 0.669 1
1 540 . 17 1 1 A 57 57 THR CA C 57 61.999 61.213 0.786 1
1 541 . 17 1 1 A 57 57 THR HA H 57 4.504 4.959 -0.455 1
1 542 . 17 1 1 A 57 57 THR CB C 57 70.660 71.432 -0.772 1
1 548 . 17 1 1 A 57 57 THR C C 57 172.131 172.847 -0.716 1
1 549 . 17 1 1 A 58 58 PHE N N 58 126.429 127.579 -1.150 1
1 550 . 17 1 1 A 58 58 PHE H H 58 8.796 9.035 -0.239 1
1 551 . 17 1 1 A 58 58 PHE CA C 58 56.680 55.729 0.951 1
1 552 . 17 1 1 A 58 58 PHE HA H 58 4.981 5.212 -0.231 1
1 553 . 17 1 1 A 58 58 PHE CB C 58 42.400 41.051 1.349 1
1 566 . 17 1 1 A 58 58 PHE C C 58 173.719 173.709 0.010 1
1 567 . 17 1 1 A 59 59 ASP N N 59 126.210 126.550 -0.340 1
1 568 . 17 1 1 A 59 59 ASP H H 59 8.707 8.960 -0.253 1
1 569 . 17 1 1 A 59 59 ASP CA C 59 52.784 52.476 0.308 1
1 570 . 17 1 1 A 59 59 ASP HA H 59 4.677 5.454 -0.777 1
1 571 . 17 1 1 A 59 59 ASP CB C 59 42.738 41.927 0.811 1
1 574 . 17 1 1 A 59 59 ASP C C 59 173.710 174.708 -0.998 1
1 575 . 17 1 1 A 60 60 ASP N N 60 123.675 123.144 0.531 1
1 576 . 17 1 1 A 60 60 ASP H H 60 8.490 8.937 -0.447 1
1 577 . 17 1 1 A 60 60 ASP CA C 60 53.871 52.606 1.265 1
1 578 . 17 1 1 A 60 60 ASP HA H 60 4.447 5.554 -1.107 1
1 579 . 17 1 1 A 60 60 ASP CB C 60 41.108 42.798 -1.690 1
1 582 . 17 1 1 A 60 60 ASP C C 60 176.691 174.637 2.054 1
1 583 . 17 1 1 A 61 61 HIS N N 61 124.385 124.241 0.144 1
1 584 . 17 1 1 A 61 61 HIS H H 61 8.122 8.910 -0.788 1
1 585 . 17 1 1 A 61 61 HIS CA C 61 55.608 54.807 0.801 1
1 586 . 17 1 1 A 61 61 HIS HA H 61 4.769 4.962 -0.193 1
1 587 . 17 1 1 A 61 61 HIS CB C 61 28.607 31.692 -3.085 1
1 594 . 17 1 1 A 61 61 HIS C C 61 175.701 176.106 -0.405 1
1 595 . 17 1 1 A 62 62 LYS N N 62 115.195 125.355 -10.160 1
1 596 . 17 1 1 A 62 62 LYS H H 62 9.178 8.438 0.740 1
1 597 . 17 1 1 A 62 62 LYS CA C 62 57.585 59.769 -2.184 1
1 598 . 17 1 1 A 62 62 LYS HA H 62 4.028 3.789 0.239 1
1 599 . 17 1 1 A 62 62 LYS CB C 62 29.373 32.402 -3.029 1
1 611 . 17 1 1 A 63 63 ASN N N 63 116.167 116.228 -0.061 1
1 612 . 17 1 1 A 63 63 ASN H H 63 7.900 7.896 0.004 1
1 613 . 17 1 1 A 63 63 ASN CA C 63 52.056 54.000 -1.944 1
1 614 . 17 1 1 A 63 63 ASN HA H 63 4.835 4.583 0.252 1
1 615 . 17 1 1 A 63 63 ASN CB C 63 38.468 38.913 -0.445 1
1 621 . 17 1 1 A 63 63 ASN C C 63 176.634 175.530 1.104 1
1 622 . 17 1 1 A 64 64 GLY N N 64 108.877 106.282 2.595 1
1 623 . 17 1 1 A 64 64 GLY H H 64 8.718 7.668 1.050 1
1 624 . 17 1 1 A 64 64 GLY CA C 64 45.534 45.179 0.355 1
1 625 . 17 1 1 A 64 64 GLY HA2 H 64 3.619 4.098 -0.479 1
1 626 . 17 1 1 A 64 64 GLY HA3 H 64 4.247 4.109 0.138 1
1 627 . 17 1 1 A 65 65 SER N N 65 115.229 115.532 -0.303 1
1 628 . 17 1 1 A 65 65 SER H H 65 7.962 8.779 -0.817 1
1 629 . 17 1 1 A 65 65 SER CA C 65 57.108 58.940 -1.832 1
1 630 . 17 1 1 A 65 65 SER HA H 65 5.531 4.123 1.408 1
1 631 . 17 1 1 A 65 65 SER CB C 65 67.290 61.390 5.900 1
1 634 . 17 1 1 A 66 66 CYS N N 66 118.007 118.527 -0.520 1
1 635 . 17 1 1 A 66 66 CYS H H 66 8.807 8.006 0.801 1
1 636 . 17 1 1 A 66 66 CYS CA C 66 56.476 59.776 -3.300 1
1 637 . 17 1 1 A 66 66 CYS HA H 66 4.672 4.340 0.332 1
1 638 . 17 1 1 A 66 66 CYS CB C 66 31.077 28.445 2.632 1
1 641 . 17 1 1 A 67 67 GLY N N 67 112.448 110.051 2.397 1
1 642 . 17 1 1 A 67 67 GLY H H 67 8.679 8.075 0.604 1
1 643 . 17 1 1 A 67 67 GLY CA C 67 45.004 45.583 -0.579 1
1 644 . 17 1 1 A 67 67 GLY HA2 H 67 3.629 3.903 -0.274 1
1 645 . 17 1 1 A 67 67 GLY HA3 H 67 4.645 3.949 0.696 1
1 646 . 17 1 1 A 67 67 GLY C C 67 171.754 171.663 0.091 1
1 647 . 17 1 1 A 68 68 VAL N N 68 123.840 125.972 -2.132 1
1 648 . 17 1 1 A 68 68 VAL H H 68 8.486 8.296 0.190 1
1 649 . 17 1 1 A 68 68 VAL CA C 68 60.143 62.466 -2.323 1
1 650 . 17 1 1 A 68 68 VAL HA H 68 4.579 4.268 0.311 1
1 651 . 17 1 1 A 68 68 VAL CB C 68 33.946 31.989 1.957 1
1 661 . 17 1 1 A 68 68 VAL C C 68 174.396 175.175 -0.779 1
1 662 . 17 1 1 A 69 69 SER N N 69 119.414 120.399 -0.985 1
1 663 . 17 1 1 A 69 69 SER H H 69 8.450 8.440 0.010 1
1 664 . 17 1 1 A 69 69 SER CA C 69 56.169 55.585 0.584 1
1 665 . 17 1 1 A 69 69 SER HA H 69 5.442 5.524 -0.082 1
1 666 . 17 1 1 A 69 69 SER CB C 69 65.640 66.299 -0.659 1
1 669 . 17 1 1 A 69 69 SER C C 69 173.189 173.393 -0.204 1
1 670 . 17 1 1 A 70 70 TYR N N 70 119.504 117.858 1.646 1
1 671 . 17 1 1 A 70 70 TYR H H 70 8.771 8.882 -0.111 1
1 672 . 17 1 1 A 70 70 TYR CA C 70 54.962 55.984 -1.022 1
1 673 . 17 1 1 A 70 70 TYR HA H 70 5.922 5.858 0.064 1
1 674 . 17 1 1 A 70 70 TYR CB C 70 42.710 41.775 0.935 1
1 685 . 17 1 1 A 70 70 TYR C C 70 173.056 173.037 0.019 1
1 686 . 17 1 1 A 71 71 ILE N N 71 117.727 121.686 -3.959 1
1 687 . 17 1 1 A 71 71 ILE H H 71 8.196 8.451 -0.255 1
1 688 . 17 1 1 A 71 71 ILE CA C 71 60.132 60.152 -0.020 1
1 689 . 17 1 1 A 71 71 ILE HA H 71 4.161 4.605 -0.444 1
1 690 . 17 1 1 A 71 71 ILE CB C 71 40.790 41.840 -1.050 1
1 703 . 17 1 1 A 71 71 ILE C C 71 175.114 175.014 0.100 1
1 704 . 17 1 1 A 72 72 ALA N N 72 133.145 129.197 3.948 1
1 705 . 17 1 1 A 72 72 ALA H H 72 9.466 8.515 0.951 1
1 706 . 17 1 1 A 72 72 ALA CA C 72 50.261 50.421 -0.160 1
1 707 . 17 1 1 A 72 72 ALA HA H 72 4.567 4.579 -0.012 1
1 708 . 17 1 1 A 72 72 ALA CB C 72 19.699 19.105 0.594 1
1 712 . 17 1 1 A 72 72 ALA C C 72 177.170 177.758 -0.588 1
1 713 . 17 1 1 A 73 73 GLN N N 73 120.464 124.263 -3.799 1
1 714 . 17 1 1 A 73 73 GLN H H 73 8.649 8.610 0.039 1
1 715 . 17 1 1 A 73 73 GLN CA C 73 57.614 59.232 -1.618 1
1 716 . 17 1 1 A 73 73 GLN HA H 73 4.083 4.034 0.049 1
1 717 . 17 1 1 A 73 73 GLN CB C 73 29.667 28.713 0.954 1
1 726 . 17 1 1 A 73 73 GLN C C 73 175.643 176.623 -0.980 1
1 727 . 17 1 1 A 74 74 GLU N N 74 114.557 117.834 -3.277 1
1 728 . 17 1 1 A 74 74 GLU H H 74 7.102 8.205 -1.103 1
1 729 . 17 1 1 A 74 74 GLU CA C 74 52.242 52.910 -0.668 1
1 730 . 17 1 1 A 74 74 GLU HA H 74 4.988 4.809 0.179 1
1 731 . 17 1 1 A 74 74 GLU CB C 74 31.732 30.563 1.169 1
1 737 . 17 1 1 A 74 74 GLU C C 74 174.462 174.074 0.388 1
1 738 . 17 1 1 A 75 75 PRO CA C 75 63.007 63.289 -0.282 1
1 739 . 17 1 1 A 75 75 PRO HA H 75 4.335 4.677 -0.342 1
1 740 . 17 1 1 A 75 75 PRO CB C 75 32.866 33.032 -0.166 1
1 749 . 17 1 1 A 75 75 PRO C C 75 174.572 175.928 -1.356 1
1 750 . 17 1 1 A 76 76 GLY N N 76 107.234 107.576 -0.342 1
1 751 . 17 1 1 A 76 76 GLY H H 76 9.012 7.964 1.048 1
1 752 . 17 1 1 A 76 76 GLY CA C 76 44.615 45.054 -0.439 1
1 753 . 17 1 1 A 76 76 GLY HA2 H 76 3.850 4.187 -0.337 1
1 754 . 17 1 1 A 76 76 GLY HA3 H 76 4.201 4.212 -0.011 1
1 755 . 17 1 1 A 76 76 GLY C C 76 171.133 172.974 -1.841 1
1 756 . 17 1 1 A 77 77 ASN N N 77 119.292 117.265 2.027 1
1 757 . 17 1 1 A 77 77 ASN H H 77 8.549 8.590 -0.041 1
1 758 . 17 1 1 A 77 77 ASN CA C 77 52.364 52.064 0.300 1
1 759 . 17 1 1 A 77 77 ASN HA H 77 5.369 5.257 0.112 1
1 760 . 17 1 1 A 77 77 ASN CB C 77 39.176 38.605 0.571 1
1 766 . 17 1 1 A 77 77 ASN C C 77 174.470 173.972 0.498 1
1 767 . 17 1 1 A 78 78 TYR N N 78 123.809 124.732 -0.923 1
1 768 . 17 1 1 A 78 78 TYR H H 78 9.094 8.887 0.207 1
1 769 . 17 1 1 A 78 78 TYR CA C 78 56.818 57.970 -1.152 1
1 770 . 17 1 1 A 78 78 TYR HA H 78 4.859 4.892 -0.033 1
1 771 . 17 1 1 A 78 78 TYR CB C 78 39.860 39.739 0.121 1
1 782 . 17 1 1 A 78 78 TYR C C 78 174.184 175.072 -0.888 1
1 783 . 17 1 1 A 79 79 GLU N N 79 122.250 125.009 -2.759 1
1 784 . 17 1 1 A 79 79 GLU H H 79 9.259 9.180 0.079 1
1 785 . 17 1 1 A 79 79 GLU CA C 79 54.692 55.429 -0.737 1
1 786 . 17 1 1 A 79 79 GLU HA H 79 5.313 5.145 0.168 1
1 787 . 17 1 1 A 79 79 GLU CB C 79 32.159 30.833 1.326 1
1 793 . 17 1 1 A 79 79 GLU C C 79 176.631 175.015 1.616 1
1 794 . 17 1 1 A 80 80 VAL N N 80 131.418 127.559 3.859 1
1 795 . 17 1 1 A 80 80 VAL H H 80 9.761 8.441 1.320 1
1 796 . 17 1 1 A 80 80 VAL CA C 80 61.522 62.448 -0.926 1
1 797 . 17 1 1 A 80 80 VAL HA H 80 4.801 4.595 0.206 1
1 798 . 17 1 1 A 80 80 VAL CB C 80 32.818 31.794 1.024 1
1 808 . 17 1 1 A 80 80 VAL C C 80 175.573 175.122 0.451 1
1 809 . 17 1 1 A 81 81 SER N N 81 123.238 122.673 0.565 1
1 810 . 17 1 1 A 81 81 SER H H 81 9.457 9.040 0.417 1
1 811 . 17 1 1 A 81 81 SER CA C 81 57.589 56.889 0.700 1
1 812 . 17 1 1 A 81 81 SER HA H 81 5.167 5.015 0.152 1
1 813 . 17 1 1 A 81 81 SER CB C 81 64.882 64.139 0.743 1
1 816 . 17 1 1 A 81 81 SER C C 81 173.514 173.666 -0.152 1
1 817 . 17 1 1 A 82 82 ILE N N 82 126.261 128.792 -2.531 1
1 818 . 17 1 1 A 82 82 ILE H H 82 9.642 9.288 0.354 1
1 819 . 17 1 1 A 82 82 ILE CA C 82 60.992 59.969 1.023 1
1 820 . 17 1 1 A 82 82 ILE HA H 82 4.667 4.966 -0.299 1
1 821 . 17 1 1 A 82 82 ILE CB C 82 40.692 40.306 0.386 1
1 834 . 17 1 1 A 82 82 ILE C C 82 173.498 175.187 -1.689 1
1 835 . 17 1 1 A 83 83 LYS N N 83 123.477 126.506 -3.029 1
1 836 . 17 1 1 A 83 83 LYS H H 83 8.720 8.786 -0.066 1
1 837 . 17 1 1 A 83 83 LYS CA C 83 53.730 55.133 -1.403 1
1 838 . 17 1 1 A 83 83 LYS HA H 83 5.139 5.300 -0.161 1
1 839 . 17 1 1 A 83 83 LYS CB C 83 36.351 35.414 0.937 1
1 851 . 17 1 1 A 83 83 LYS C C 83 174.914 174.380 0.534 1
1 852 . 17 1 1 A 84 84 PHE N N 84 122.298 126.171 -3.873 1
1 853 . 17 1 1 A 84 84 PHE H H 84 9.154 9.104 0.050 1
1 854 . 17 1 1 A 84 84 PHE CA C 84 56.057 57.520 -1.463 1
1 855 . 17 1 1 A 84 84 PHE HA H 84 5.238 4.822 0.416 1
1 856 . 17 1 1 A 84 84 PHE CB C 84 43.136 41.203 1.933 1
1 867 . 17 1 1 A 84 84 PHE C C 84 175.864 175.071 0.793 1
1 868 . 17 1 1 A 85 85 ASN N N 85 127.936 125.258 2.678 1
1 869 . 17 1 1 A 85 85 ASN H H 85 9.040 9.113 -0.073 1
1 870 . 17 1 1 A 85 85 ASN CA C 85 54.448 54.452 -0.004 1
1 871 . 17 1 1 A 85 85 ASN HA H 85 4.206 4.173 0.033 1
1 872 . 17 1 1 A 85 85 ASN CB C 85 36.554 36.757 -0.203 1
1 878 . 17 1 1 A 85 85 ASN C C 85 174.620 174.208 0.412 1
1 879 . 17 1 1 A 86 86 ASP N N 86 108.763 109.921 -1.158 1
1 880 . 17 1 1 A 86 86 ASP H H 86 8.828 8.457 0.371 1
1 881 . 17 1 1 A 86 86 ASP CA C 86 56.405 55.528 0.877 1
1 882 . 17 1 1 A 86 86 ASP HA H 86 3.946 4.177 -0.231 1
1 883 . 17 1 1 A 86 86 ASP CB C 86 40.367 39.214 1.153 1
1 886 . 17 1 1 A 86 86 ASP C C 86 174.169 174.548 -0.379 1
1 887 . 17 1 1 A 87 87 GLU N N 87 119.289 117.252 2.037 1
1 888 . 17 1 1 A 87 87 GLU H H 87 7.510 7.609 -0.099 1
1 889 . 17 1 1 A 87 87 GLU CA C 87 54.483 54.878 -0.395 1
1 890 . 17 1 1 A 87 87 GLU HA H 87 4.743 4.939 -0.196 1
1 891 . 17 1 1 A 87 87 GLU CB C 87 32.763 33.382 -0.619 1
1 897 . 17 1 1 A 87 87 GLU C C 87 175.825 175.177 0.648 1
1 898 . 17 1 1 A 88 88 HIS N N 88 123.465 120.340 3.125 1
1 899 . 17 1 1 A 88 88 HIS H H 88 8.822 9.170 -0.348 1
1 900 . 17 1 1 A 88 88 HIS CA C 88 59.117 55.424 3.693 1
1 901 . 17 1 1 A 88 88 HIS HA H 88 4.511 5.058 -0.547 1
1 902 . 17 1 1 A 88 88 HIS CB C 88 32.254 29.916 2.338 1
1 909 . 17 1 1 A 88 88 HIS C C 88 177.352 175.665 1.687 1
1 910 . 17 1 1 A 89 89 ILE N N 89 117.945 123.155 -5.210 1
1 911 . 17 1 1 A 89 89 ILE H H 89 8.131 8.478 -0.347 1
1 912 . 17 1 1 A 89 89 ILE CA C 89 61.121 59.969 1.152 1
1 913 . 17 1 1 A 89 89 ILE HA H 89 4.519 4.486 0.033 1
1 914 . 17 1 1 A 89 89 ILE CB C 89 35.538 37.672 -2.134 1
1 927 . 17 1 1 A 89 89 ILE C C 89 173.831 176.822 -2.991 1
1 928 . 17 1 1 A 90 90 PRO CA C 90 66.545 64.302 2.243 1
1 929 . 17 1 1 A 90 90 PRO HA H 90 4.223 4.542 -0.319 1
1 930 . 17 1 1 A 90 90 PRO CB C 90 31.693 31.549 0.144 1
1 939 . 17 1 1 A 90 90 PRO C C 90 177.046 176.681 0.365 1
1 940 . 17 1 1 A 91 91 GLU N N 91 113.835 117.081 -3.246 1
1 941 . 17 1 1 A 91 91 GLU H H 91 8.223 8.173 0.050 1
1 942 . 17 1 1 A 91 91 GLU CA C 91 57.913 56.256 1.657 1
1 943 . 17 1 1 A 91 91 GLU HA H 91 3.733 4.346 -0.613 1
1 944 . 17 1 1 A 91 91 GLU CB C 91 27.681 31.146 -3.465 1
1 950 . 17 1 1 A 91 91 GLU C C 91 173.469 175.645 -2.176 1
1 951 . 17 1 1 A 92 92 SER N N 92 111.462 113.275 -1.813 1
1 952 . 17 1 1 A 92 92 SER H H 92 7.489 7.542 -0.053 1
1 953 . 17 1 1 A 92 92 SER CA C 92 54.873 55.157 -0.284 1
1 954 . 17 1 1 A 92 92 SER HA H 92 4.427 4.682 -0.255 1
1 955 . 17 1 1 A 92 92 SER CB C 92 63.317 64.639 -1.322 1
1 958 . 17 1 1 A 92 92 SER C C 92 174.195 172.707 1.488 1
1 959 . 17 1 1 A 93 93 PRO CA C 93 62.333 62.456 -0.123 1
1 960 . 17 1 1 A 93 93 PRO HA H 93 5.483 4.761 0.722 1
1 961 . 17 1 1 A 93 93 PRO CB C 93 34.386 32.730 1.656 1
1 970 . 17 1 1 A 93 93 PRO C C 93 176.059 174.884 1.175 1
1 971 . 17 1 1 A 94 94 TYR N N 94 122.179 119.279 2.900 1
1 972 . 17 1 1 A 94 94 TYR H H 94 9.372 8.877 0.495 1
1 973 . 17 1 1 A 94 94 TYR CA C 94 57.101 56.835 0.266 1
1 974 . 17 1 1 A 94 94 TYR HA H 94 4.531 5.158 -0.627 1
1 975 . 17 1 1 A 94 94 TYR CB C 94 40.027 41.674 -1.647 1
1 986 . 17 1 1 A 94 94 TYR C C 94 175.281 174.169 1.112 1
1 987 . 17 1 1 A 95 95 LEU N N 95 126.428 123.834 2.594 1
1 988 . 17 1 1 A 95 95 LEU H H 95 8.807 8.740 0.067 1
1 989 . 17 1 1 A 95 95 LEU CA C 95 54.200 53.720 0.480 1
1 990 . 17 1 1 A 95 95 LEU HA H 95 4.981 5.137 -0.156 1
1 991 . 17 1 1 A 95 95 LEU CB C 95 41.894 44.725 -2.831 1
1 1004 . 17 1 1 A 95 95 LEU C C 95 176.295 174.479 1.816 1
1 1005 . 17 1 1 A 96 96 VAL N N 96 130.944 127.747 3.197 1
1 1006 . 17 1 1 A 96 96 VAL H H 96 9.629 9.010 0.619 1
1 1007 . 17 1 1 A 96 96 VAL CA C 96 59.813 59.473 0.340 1
1 1008 . 17 1 1 A 96 96 VAL HA H 96 4.469 4.591 -0.122 1
1 1009 . 17 1 1 A 96 96 VAL CB C 96 35.052 33.140 1.912 1
1 1019 . 17 1 1 A 96 96 VAL C C 96 173.734 174.732 -0.998 1
1 1020 . 17 1 1 A 97 97 PRO CA C 97 62.379 62.374 0.005 1
1 1021 . 17 1 1 A 97 97 PRO HA H 97 5.016 4.789 0.227 1
1 1022 . 17 1 1 A 97 97 PRO CB C 97 32.163 29.788 2.375 1
1 1031 . 17 1 1 A 97 97 PRO C C 97 175.950 176.611 -0.661 1
1 1032 . 17 1 1 A 98 98 VAL N N 98 125.524 123.627 1.897 1
1 1033 . 17 1 1 A 98 98 VAL H H 98 9.196 8.415 0.781 1
1 1034 . 17 1 1 A 98 98 VAL CA C 98 61.345 62.916 -1.571 1
1 1035 . 17 1 1 A 98 98 VAL HA H 98 4.411 4.703 -0.292 1
1 1036 . 17 1 1 A 98 98 VAL CB C 98 32.037 32.444 -0.407 1
1 1046 . 17 1 1 A 98 98 VAL C C 98 176.996 176.098 0.898 1
1 1047 . 17 1 1 A 99 99 ILE N N 99 124.035 121.914 2.121 1
1 1048 . 17 1 1 A 99 99 ILE H H 99 8.392 9.377 -0.985 1
1 1049 . 17 1 1 A 99 99 ILE CA C 99 59.802 58.479 1.323 1
1 1050 . 17 1 1 A 99 99 ILE HA H 99 4.651 5.065 -0.414 1
1 1051 . 17 1 1 A 99 99 ILE CB C 99 40.609 41.855 -1.246 1
1 1064 . 17 1 1 A 99 99 ILE C C 99 175.482 174.360 1.122 1
1 1065 . 17 1 1 A 100 100 ALA N N 100 125.837 124.913 0.924 1
1 1066 . 17 1 1 A 100 100 ALA H H 100 8.714 8.526 0.188 1
1 1067 . 17 1 1 A 100 100 ALA CA C 100 50.416 49.766 0.650 1
1 1068 . 17 1 1 A 100 100 ALA HA H 100 4.603 4.564 0.039 1
1 1069 . 17 1 1 A 100 100 ALA CB C 100 18.088 19.977 -1.889 1
1 1073 . 17 1 1 A 100 100 ALA C C 100 175.264 176.369 -1.105 1
1 1074 . 17 1 1 A 101 101 PRO CA C 101 63.104 62.704 0.400 1
1 1075 . 17 1 1 A 101 101 PRO HA H 101 4.483 4.709 -0.226 1
1 1076 . 17 1 1 A 101 101 PRO CB C 101 32.222 31.729 0.493 1
1 1085 . 17 1 1 A 101 101 PRO C C 101 176.976 176.133 0.843 1
1 1086 . 17 1 1 A 102 102 SER N N 102 116.530 120.893 -4.363 1
1 1087 . 17 1 1 A 102 102 SER H H 102 8.527 8.908 -0.381 1
1 1088 . 17 1 1 A 102 102 SER CA C 102 58.283 57.814 0.469 1
1 1089 . 17 1 1 A 102 102 SER HA H 102 4.433 4.838 -0.405 1
1 1090 . 17 1 1 A 102 102 SER CB C 102 64.078 63.381 0.697 1
1 1093 . 17 1 1 A 102 102 SER C C 102 174.510 172.304 2.206 1
1 1094 . 17 1 1 A 103 103 ASP N N 103 123.018 128.107 -5.089 1
1 1095 . 17 1 1 A 103 103 ASP H H 103 8.450 9.111 -0.661 1
1 1096 . 17 1 1 A 103 103 ASP CA C 103 54.431 52.840 1.591 1
1 1097 . 17 1 1 A 103 103 ASP HA H 103 4.654 5.007 -0.353 1
1 1098 . 17 1 1 A 103 103 ASP CB C 103 41.226 41.680 -0.454 1
1 1101 . 17 1 1 A 103 103 ASP C C 103 175.889 174.368 1.521 1
1 1102 . 17 1 1 A 104 104 ASP N N 104 120.896 124.461 -3.565 1
1 1103 . 17 1 1 A 104 104 ASP H H 104 8.264 8.735 -0.471 1
1 1104 . 17 1 1 A 104 104 ASP CA C 104 54.283 52.755 1.528 1
1 1105 . 17 1 1 A 104 104 ASP HA H 104 4.601 5.281 -0.680 1
1 1106 . 17 1 1 A 104 104 ASP CB C 104 41.183 42.244 -1.061 1
1 1109 . 17 1 1 A 104 104 ASP C C 104 175.065 175.010 0.055 1
1 1 . 18 1 1 A 7 7 GLY N N 7 110.767 108.198 2.569 1
1 2 . 18 1 1 A 7 7 GLY H H 7 8.421 8.143 0.278 1
1 3 . 18 1 1 A 7 7 GLY CA C 7 45.393 45.721 -0.328 1
1 4 . 18 1 1 A 7 7 GLY HA2 H 7 4.003 4.145 -0.142 1
1 5 . 18 1 1 A 7 7 GLY HA3 H 7 4.003 4.147 -0.144 1
1 6 . 18 1 1 A 7 7 GLY C C 7 174.160 172.754 1.406 1
1 7 . 18 1 1 A 8 8 GLU N N 8 120.419 121.318 -0.899 1
1 8 . 18 1 1 A 8 8 GLU H H 8 8.320 8.782 -0.462 1
1 9 . 18 1 1 A 8 8 GLU CA C 8 56.499 54.119 2.380 1
1 10 . 18 1 1 A 8 8 GLU HA H 8 4.390 4.956 -0.566 1
1 11 . 18 1 1 A 8 8 GLU CB C 8 30.615 32.794 -2.179 1
1 17 . 18 1 1 A 8 8 GLU C C 8 176.858 176.092 0.766 1
1 18 . 18 1 1 A 9 9 GLY N N 9 109.731 109.737 -0.006 1
1 19 . 18 1 1 A 9 9 GLY H H 9 8.522 8.621 -0.099 1
1 20 . 18 1 1 A 9 9 GLY CA C 9 45.110 44.903 0.207 1
1 21 . 18 1 1 A 9 9 GLY HA2 H 9 4.090 4.134 -0.044 1
1 22 . 18 1 1 A 9 9 GLY HA3 H 9 3.931 4.162 -0.231 1
1 23 . 18 1 1 A 9 9 GLY C C 9 173.933 173.006 0.927 1
1 24 . 18 1 1 A 10 10 GLY N N 10 107.139 107.430 -0.291 1
1 25 . 18 1 1 A 10 10 GLY H H 10 8.393 8.015 0.378 1
1 26 . 18 1 1 A 10 10 GLY CA C 10 45.039 46.318 -1.279 1
1 27 . 18 1 1 A 10 10 GLY HA2 H 10 3.868 4.354 -0.486 1
1 28 . 18 1 1 A 10 10 GLY HA3 H 10 4.528 4.358 0.170 1
1 29 . 18 1 1 A 10 10 GLY C C 10 174.561 173.988 0.573 1
1 30 . 18 1 1 A 11 11 ALA N N 11 122.466 125.173 -2.707 1
1 31 . 18 1 1 A 11 11 ALA H H 11 8.875 8.794 0.081 1
1 32 . 18 1 1 A 11 11 ALA CA C 11 55.391 55.127 0.264 1
1 33 . 18 1 1 A 11 11 ALA HA H 11 3.803 4.294 -0.491 1
1 34 . 18 1 1 A 11 11 ALA CB C 11 19.583 18.980 0.603 1
1 38 . 18 1 1 A 11 11 ALA C C 11 178.242 180.052 -1.810 1
1 39 . 18 1 1 A 12 12 HIS N N 12 111.513 116.033 -4.520 1
1 40 . 18 1 1 A 12 12 HIS H H 12 8.290 8.668 -0.378 1
1 41 . 18 1 1 A 12 12 HIS CA C 12 57.847 59.360 -1.513 1
1 42 . 18 1 1 A 12 12 HIS HA H 12 4.443 4.372 0.071 1
1 43 . 18 1 1 A 12 12 HIS CB C 12 29.321 28.846 0.475 1
1 50 . 18 1 1 A 12 12 HIS C C 12 176.189 177.886 -1.697 1
1 51 . 18 1 1 A 13 13 LYS N N 13 118.111 120.023 -1.912 1
1 52 . 18 1 1 A 13 13 LYS H H 13 7.558 7.071 0.487 1
1 53 . 18 1 1 A 13 13 LYS CA C 13 54.660 59.304 -4.644 1
1 54 . 18 1 1 A 13 13 LYS HA H 13 4.202 3.720 0.482 1
1 55 . 18 1 1 A 13 13 LYS CB C 13 32.655 31.999 0.656 1
1 67 . 18 1 1 A 13 13 LYS C C 13 176.721 177.565 -0.844 1
1 68 . 18 1 1 A 14 14 VAL N N 14 123.625 119.191 4.434 1
1 69 . 18 1 1 A 14 14 VAL H H 14 7.499 7.380 0.119 1
1 70 . 18 1 1 A 14 14 VAL CA C 14 63.247 63.519 -0.272 1
1 71 . 18 1 1 A 14 14 VAL HA H 14 3.907 3.807 0.100 1
1 72 . 18 1 1 A 14 14 VAL CB C 14 31.649 32.035 -0.386 1
1 82 . 18 1 1 A 15 15 ARG H H 15 8.106 8.486 -0.380 1
1 83 . 18 1 1 A 15 15 ARG CA C 15 53.791 55.170 -1.379 1
1 84 . 18 1 1 A 15 15 ARG HA H 15 5.021 4.941 0.080 1
1 85 . 18 1 1 A 15 15 ARG CB C 15 34.207 33.721 0.486 1
1 94 . 18 1 1 A 16 16 ALA N N 16 123.795 127.600 -3.805 1
1 95 . 18 1 1 A 16 16 ALA H H 16 8.875 8.843 0.032 1
1 96 . 18 1 1 A 16 16 ALA CA C 16 51.092 50.704 0.388 1
1 97 . 18 1 1 A 16 16 ALA HA H 16 5.569 5.404 0.165 1
1 98 . 18 1 1 A 16 16 ALA CB C 16 23.845 23.282 0.563 1
1 102 . 18 1 1 A 17 17 GLY N N 17 106.516 106.583 -0.067 1
1 103 . 18 1 1 A 17 17 GLY H H 17 8.616 8.544 0.072 1
1 104 . 18 1 1 A 17 17 GLY CA C 17 46.205 45.654 0.551 1
1 105 . 18 1 1 A 17 17 GLY HA2 H 17 4.289 4.220 0.069 1
1 106 . 18 1 1 A 17 17 GLY HA3 H 17 4.226 4.228 -0.002 1
1 107 . 18 1 1 A 18 18 GLY N N 18 111.804 110.924 0.880 1
1 108 . 18 1 1 A 18 18 GLY H H 18 8.816 8.788 0.028 1
1 109 . 18 1 1 A 18 18 GLY CA C 18 44.595 44.022 0.573 1
1 110 . 18 1 1 A 18 18 GLY HA2 H 18 4.105 4.218 -0.113 1
1 111 . 18 1 1 A 18 18 GLY HA3 H 18 4.105 4.240 -0.135 1
1 112 . 18 1 1 A 19 19 PRO CA C 19 65.526 65.241 0.285 1
1 113 . 18 1 1 A 19 19 PRO HA H 19 4.335 4.366 -0.031 1
1 114 . 18 1 1 A 19 19 PRO CB C 19 31.790 31.849 -0.059 1
1 123 . 18 1 1 A 19 19 PRO C C 19 179.208 179.277 -0.069 1
1 124 . 18 1 1 A 20 20 GLY N N 20 103.234 105.927 -2.693 1
1 125 . 18 1 1 A 20 20 GLY H H 20 9.282 8.570 0.712 1
1 126 . 18 1 1 A 20 20 GLY CA C 20 46.361 46.922 -0.561 1
1 127 . 18 1 1 A 20 20 GLY HA2 H 20 3.214 3.815 -0.601 1
1 128 . 18 1 1 A 20 20 GLY HA3 H 20 4.184 3.895 0.289 1
1 129 . 18 1 1 A 20 20 GLY C C 20 172.711 176.303 -3.592 1
1 130 . 18 1 1 A 21 21 LEU N N 21 116.307 123.043 -6.736 1
1 131 . 18 1 1 A 21 21 LEU H H 21 7.559 8.081 -0.522 1
1 132 . 18 1 1 A 21 21 LEU CA C 21 53.980 57.438 -3.458 1
1 133 . 18 1 1 A 21 21 LEU HA H 21 4.166 4.042 0.124 1
1 134 . 18 1 1 A 21 21 LEU CB C 21 40.135 41.180 -1.045 1
1 147 . 18 1 1 A 21 21 LEU C C 21 175.859 179.202 -3.343 1
1 148 . 18 1 1 A 22 22 GLU N N 22 119.926 116.832 3.094 1
1 149 . 18 1 1 A 22 22 GLU H H 22 7.927 7.704 0.223 1
1 150 . 18 1 1 A 22 22 GLU CA C 22 57.490 58.828 -1.338 1
1 151 . 18 1 1 A 22 22 GLU HA H 22 4.511 4.267 0.244 1
1 152 . 18 1 1 A 22 22 GLU CB C 22 32.057 30.371 1.686 1
1 158 . 18 1 1 A 22 22 GLU C C 22 175.521 176.687 -1.166 1
1 159 . 18 1 1 A 23 23 ARG N N 23 116.789 117.588 -0.799 1
1 160 . 18 1 1 A 23 23 ARG H H 23 8.340 7.303 1.037 1
1 161 . 18 1 1 A 23 23 ARG CA C 23 56.464 55.297 1.167 1
1 162 . 18 1 1 A 23 23 ARG HA H 23 4.688 4.785 -0.097 1
1 163 . 18 1 1 A 23 23 ARG CB C 23 32.571 33.849 -1.278 1
1 174 . 18 1 1 A 23 23 ARG C C 23 173.992 174.549 -0.557 1
1 175 . 18 1 1 A 24 24 GLY N N 24 108.837 111.075 -2.238 1
1 176 . 18 1 1 A 24 24 GLY H H 24 8.736 8.592 0.144 1
1 177 . 18 1 1 A 24 24 GLY CA C 24 43.943 44.690 -0.747 1
1 178 . 18 1 1 A 24 24 GLY HA2 H 24 3.510 4.430 -0.920 1
1 179 . 18 1 1 A 24 24 GLY HA3 H 24 4.679 4.469 0.210 1
1 180 . 18 1 1 A 24 24 GLY C C 24 171.930 171.920 0.010 1
1 181 . 18 1 1 A 25 25 GLU N N 25 122.126 121.194 0.932 1
1 182 . 18 1 1 A 25 25 GLU H H 25 9.429 8.637 0.792 1
1 183 . 18 1 1 A 25 25 GLU CA C 25 54.209 54.705 -0.496 1
1 184 . 18 1 1 A 25 25 GLU HA H 25 5.049 5.143 -0.094 1
1 185 . 18 1 1 A 25 25 GLU CB C 25 32.945 32.544 0.401 1
1 191 . 18 1 1 A 25 25 GLU C C 25 175.853 175.718 0.135 1
1 192 . 18 1 1 A 26 26 ALA N N 26 128.654 128.113 0.541 1
1 193 . 18 1 1 A 26 26 ALA H H 26 8.518 8.802 -0.284 1
1 194 . 18 1 1 A 26 26 ALA CA C 26 53.187 53.954 -0.767 1
1 195 . 18 1 1 A 26 26 ALA HA H 26 3.855 4.247 -0.392 1
1 196 . 18 1 1 A 26 26 ALA CB C 26 17.420 18.569 -1.149 1
1 200 . 18 1 1 A 26 26 ALA C C 26 177.837 178.026 -0.189 1
1 201 . 18 1 1 A 27 27 GLY N N 27 108.210 110.826 -2.616 1
1 202 . 18 1 1 A 27 27 GLY H H 27 8.583 8.983 -0.400 1
1 203 . 18 1 1 A 27 27 GLY CA C 27 45.619 44.985 0.634 1
1 204 . 18 1 1 A 27 27 GLY HA2 H 27 3.364 3.968 -0.604 1
1 205 . 18 1 1 A 27 27 GLY HA3 H 27 4.158 3.971 0.187 1
1 206 . 18 1 1 A 27 27 GLY C C 27 173.084 173.834 -0.750 1
1 207 . 18 1 1 A 28 28 VAL N N 28 122.974 121.993 0.981 1
1 208 . 18 1 1 A 28 28 VAL H H 28 7.878 7.982 -0.104 1
1 209 . 18 1 1 A 28 28 VAL CA C 28 59.182 59.001 0.181 1
1 210 . 18 1 1 A 28 28 VAL HA H 28 4.510 4.289 0.221 1
1 211 . 18 1 1 A 28 28 VAL CB C 28 34.549 32.974 1.575 1
1 221 . 18 1 1 A 28 28 VAL C C 28 174.171 174.449 -0.278 1
1 222 . 18 1 1 A 29 29 PRO CA C 29 64.354 62.331 2.023 1
1 223 . 18 1 1 A 29 29 PRO HA H 29 4.064 4.632 -0.568 1
1 224 . 18 1 1 A 29 29 PRO CB C 29 31.464 31.842 -0.378 1
1 233 . 18 1 1 A 29 29 PRO C C 29 174.718 175.648 -0.930 1
1 234 . 18 1 1 A 30 30 ALA N N 30 131.821 126.529 5.292 1
1 235 . 18 1 1 A 30 30 ALA H H 30 8.990 8.435 0.555 1
1 236 . 18 1 1 A 30 30 ALA CA C 30 50.482 50.466 0.016 1
1 237 . 18 1 1 A 30 30 ALA HA H 30 4.558 4.562 -0.004 1
1 238 . 18 1 1 A 30 30 ALA CB C 30 18.793 19.454 -0.661 1
1 242 . 18 1 1 A 30 30 ALA C C 30 176.319 176.059 0.260 1
1 243 . 18 1 1 A 31 31 GLU N N 31 119.523 121.095 -1.572 1
1 244 . 18 1 1 A 31 31 GLU H H 31 8.273 8.626 -0.353 1
1 245 . 18 1 1 A 31 31 GLU CA C 31 55.261 54.575 0.686 1
1 246 . 18 1 1 A 31 31 GLU HA H 31 5.290 5.343 -0.053 1
1 247 . 18 1 1 A 31 31 GLU CB C 31 33.484 32.658 0.826 1
1 253 . 18 1 1 A 31 31 GLU C C 31 176.617 175.408 1.209 1
1 254 . 18 1 1 A 32 32 PHE N N 32 115.139 117.159 -2.020 1
1 255 . 18 1 1 A 32 32 PHE H H 32 8.905 7.964 0.941 1
1 256 . 18 1 1 A 32 32 PHE CA C 32 57.490 55.693 1.797 1
1 257 . 18 1 1 A 32 32 PHE HA H 32 5.031 5.276 -0.245 1
1 258 . 18 1 1 A 32 32 PHE CB C 32 39.989 41.745 -1.756 1
1 271 . 18 1 1 A 32 32 PHE C C 32 172.714 172.260 0.454 1
1 272 . 18 1 1 A 33 33 SER CA C 33 57.324 57.179 0.145 1
1 273 . 18 1 1 A 33 33 SER HA H 33 5.404 4.914 0.490 1
1 274 . 18 1 1 A 33 33 SER CB C 33 66.623 64.326 2.297 1
1 277 . 18 1 1 A 34 34 ILE N N 34 127.688 125.063 2.625 1
1 278 . 18 1 1 A 34 34 ILE H H 34 9.577 8.672 0.905 1
1 279 . 18 1 1 A 34 34 ILE CA C 34 60.614 60.141 0.473 1
1 280 . 18 1 1 A 34 34 ILE HA H 34 4.668 4.463 0.205 1
1 281 . 18 1 1 A 34 34 ILE CB C 34 41.681 39.882 1.799 1
1 294 . 18 1 1 A 35 35 TRP CA C 35 58.440 55.816 2.624 1
1 295 . 18 1 1 A 35 35 TRP HA H 35 5.262 5.159 0.103 1
1 296 . 18 1 1 A 35 35 TRP CB C 35 30.511 29.188 1.323 1
1 311 . 18 1 1 A 36 36 THR N N 36 114.021 115.174 -1.153 1
1 312 . 18 1 1 A 36 36 THR H H 36 8.680 8.614 0.066 1
1 313 . 18 1 1 A 36 36 THR CA C 36 61.459 61.487 -0.028 1
1 314 . 18 1 1 A 36 36 THR HA H 36 4.364 4.415 -0.051 1
1 315 . 18 1 1 A 36 36 THR CB C 36 69.197 68.901 0.296 1
1 321 . 18 1 1 A 37 37 ARG CA C 37 56.501 59.958 -3.457 1
1 322 . 18 1 1 A 37 37 ARG HA H 37 4.207 3.958 0.249 1
1 323 . 18 1 1 A 37 37 ARG CB C 37 30.884 29.594 1.290 1
1 332 . 18 1 1 A 37 37 ARG C C 37 173.005 178.830 -5.825 1
1 333 . 18 1 1 A 38 38 GLU H H 38 8.371 8.095 0.276 1
1 334 . 18 1 1 A 38 38 GLU CA C 38 56.895 58.935 -2.040 1
1 335 . 18 1 1 A 38 38 GLU HA H 38 4.270 4.097 0.173 1
1 336 . 18 1 1 A 38 38 GLU CB C 38 30.001 29.619 0.382 1
1 342 . 18 1 1 A 39 39 ALA N N 39 121.133 121.658 -0.525 1
1 343 . 18 1 1 A 39 39 ALA H H 39 7.665 7.789 -0.124 1
1 344 . 18 1 1 A 39 39 ALA CA C 39 52.963 54.492 -1.529 1
1 345 . 18 1 1 A 39 39 ALA HA H 39 3.964 4.003 -0.039 1
1 346 . 18 1 1 A 39 39 ALA CB C 39 21.097 19.268 1.829 1
1 350 . 18 1 1 A 39 39 ALA C C 39 177.871 178.170 -0.299 1
1 351 . 18 1 1 A 40 40 GLY N N 40 105.600 106.734 -1.134 1
1 352 . 18 1 1 A 40 40 GLY H H 40 7.654 8.098 -0.444 1
1 353 . 18 1 1 A 40 40 GLY CA C 40 44.261 45.688 -1.427 1
1 354 . 18 1 1 A 40 40 GLY HA2 H 40 3.766 4.066 -0.300 1
1 355 . 18 1 1 A 40 40 GLY HA3 H 40 4.196 4.074 0.122 1
1 356 . 18 1 1 A 40 40 GLY C C 40 172.824 173.465 -0.641 1
1 357 . 18 1 1 A 41 41 ALA N N 41 122.720 121.661 1.059 1
1 358 . 18 1 1 A 41 41 ALA H H 41 8.364 7.777 0.587 1
1 359 . 18 1 1 A 41 41 ALA CA C 41 52.502 51.612 0.890 1
1 360 . 18 1 1 A 41 41 ALA HA H 41 4.396 4.913 -0.517 1
1 361 . 18 1 1 A 41 41 ALA CB C 41 19.295 22.788 -3.493 1
1 365 . 18 1 1 A 41 41 ALA C C 41 178.393 176.023 2.370 1
1 366 . 18 1 1 A 42 42 GLY N N 42 109.713 106.910 2.803 1
1 367 . 18 1 1 A 42 42 GLY H H 42 8.194 8.490 -0.296 1
1 368 . 18 1 1 A 42 42 GLY CA C 42 45.853 45.236 0.617 1
1 369 . 18 1 1 A 42 42 GLY HA2 H 42 3.616 3.372 0.244 1
1 370 . 18 1 1 A 42 42 GLY HA3 H 42 3.761 3.904 -0.143 1
1 371 . 18 1 1 A 42 42 GLY C C 42 172.178 172.607 -0.429 1
1 372 . 18 1 1 A 43 43 GLY N N 43 105.505 107.484 -1.979 1
1 373 . 18 1 1 A 43 43 GLY H H 43 7.422 8.420 -0.998 1
1 374 . 18 1 1 A 43 43 GLY CA C 43 44.382 44.504 -0.122 1
1 375 . 18 1 1 A 43 43 GLY HA2 H 43 3.420 3.934 -0.514 1
1 376 . 18 1 1 A 43 43 GLY HA3 H 43 4.295 3.995 0.300 1
1 377 . 18 1 1 A 43 43 GLY C C 43 172.885 172.869 0.016 1
1 378 . 18 1 1 A 44 44 LEU N N 44 125.007 121.925 3.082 1
1 379 . 18 1 1 A 44 44 LEU H H 44 8.525 8.647 -0.122 1
1 380 . 18 1 1 A 44 44 LEU CA C 44 53.589 54.377 -0.788 1
1 381 . 18 1 1 A 44 44 LEU HA H 44 5.357 5.160 0.197 1
1 382 . 18 1 1 A 44 44 LEU CB C 44 45.602 45.121 0.481 1
1 395 . 18 1 1 A 44 44 LEU C C 44 177.034 175.442 1.592 1
1 396 . 18 1 1 A 45 45 SER N N 45 117.626 122.547 -4.921 1
1 397 . 18 1 1 A 45 45 SER H H 45 9.010 9.149 -0.139 1
1 398 . 18 1 1 A 45 45 SER CA C 45 57.065 58.086 -1.021 1
1 399 . 18 1 1 A 45 45 SER HA H 45 4.660 5.069 -0.409 1
1 400 . 18 1 1 A 45 45 SER CB C 45 65.309 63.812 1.497 1
1 403 . 18 1 1 A 45 45 SER C C 45 172.724 174.091 -1.367 1
1 404 . 18 1 1 A 46 46 ILE N N 46 125.604 127.568 -1.964 1
1 405 . 18 1 1 A 46 46 ILE H H 46 8.584 9.313 -0.729 1
1 406 . 18 1 1 A 46 46 ILE CA C 46 59.369 60.074 -0.705 1
1 407 . 18 1 1 A 46 46 ILE HA H 46 5.182 5.191 -0.009 1
1 408 . 18 1 1 A 46 46 ILE CB C 46 40.879 39.479 1.400 1
1 421 . 18 1 1 A 46 46 ILE C C 46 174.318 174.856 -0.538 1
1 422 . 18 1 1 A 47 47 ALA N N 47 128.948 128.860 0.088 1
1 423 . 18 1 1 A 47 47 ALA H H 47 8.762 8.832 -0.070 1
1 424 . 18 1 1 A 47 47 ALA CA C 47 51.123 50.906 0.217 1
1 425 . 18 1 1 A 47 47 ALA HA H 47 4.724 5.096 -0.372 1
1 426 . 18 1 1 A 47 47 ALA CB C 47 22.575 21.170 1.405 1
1 430 . 18 1 1 A 47 47 ALA C C 47 175.131 175.608 -0.477 1
1 431 . 18 1 1 A 48 48 VAL N N 48 121.512 123.615 -2.103 1
1 432 . 18 1 1 A 48 48 VAL H H 48 8.640 8.914 -0.274 1
1 433 . 18 1 1 A 48 48 VAL CA C 48 61.770 62.387 -0.617 1
1 434 . 18 1 1 A 48 48 VAL HA H 48 4.749 4.378 0.371 1
1 435 . 18 1 1 A 48 48 VAL CB C 48 33.642 31.300 2.342 1
1 445 . 18 1 1 A 48 48 VAL C C 48 174.870 175.436 -0.566 1
1 446 . 18 1 1 A 49 49 GLU N N 49 126.757 126.409 0.348 1
1 447 . 18 1 1 A 49 49 GLU H H 49 8.898 8.401 0.497 1
1 448 . 18 1 1 A 49 49 GLU CA C 49 54.457 54.858 -0.401 1
1 449 . 18 1 1 A 49 49 GLU HA H 49 5.003 5.199 -0.196 1
1 450 . 18 1 1 A 49 49 GLU CB C 49 33.209 32.803 0.406 1
1 456 . 18 1 1 A 49 49 GLU C C 49 175.282 175.956 -0.674 1
1 457 . 18 1 1 A 50 50 GLY N N 50 112.668 110.997 1.671 1
1 458 . 18 1 1 A 50 50 GLY H H 50 8.563 8.604 -0.041 1
1 459 . 18 1 1 A 50 50 GLY CA C 50 45.534 44.570 0.964 1
1 460 . 18 1 1 A 50 50 GLY HA2 H 50 3.481 3.546 -0.065 1
1 461 . 18 1 1 A 50 50 GLY HA3 H 50 3.836 3.994 -0.158 1
1 462 . 18 1 1 A 50 50 GLY C C 50 171.670 174.027 -2.357 1
1 463 . 18 1 1 A 51 51 PRO CA C 51 64.371 63.956 0.415 1
1 464 . 18 1 1 A 51 51 PRO HA H 51 4.309 4.375 -0.066 1
1 465 . 18 1 1 A 51 51 PRO CB C 51 32.183 31.755 0.428 1
1 474 . 18 1 1 A 51 51 PRO C C 51 175.938 176.079 -0.141 1
1 475 . 18 1 1 A 52 52 SER N N 52 109.776 114.460 -4.684 1
1 476 . 18 1 1 A 52 52 SER H H 52 7.281 7.521 -0.240 1
1 477 . 18 1 1 A 52 52 SER CA C 52 56.747 57.614 -0.867 1
1 478 . 18 1 1 A 52 52 SER HA H 52 4.688 4.863 -0.175 1
1 479 . 18 1 1 A 52 52 SER CB C 52 65.901 67.666 -1.765 1
1 482 . 18 1 1 A 52 52 SER C C 52 172.748 172.887 -0.139 1
1 483 . 18 1 1 A 53 53 LYS N N 53 121.441 124.291 -2.850 1
1 484 . 18 1 1 A 53 53 LYS H H 53 8.607 8.444 0.163 1
1 485 . 18 1 1 A 53 53 LYS CA C 53 56.641 57.397 -0.756 1
1 486 . 18 1 1 A 53 53 LYS HA H 53 4.391 4.334 0.057 1
1 487 . 18 1 1 A 53 53 LYS CB C 53 32.323 33.471 -1.148 1
1 499 . 18 1 1 A 53 53 LYS C C 53 175.721 175.632 0.089 1
1 500 . 18 1 1 A 54 54 ALA N N 54 129.914 128.402 1.512 1
1 501 . 18 1 1 A 54 54 ALA H H 54 8.941 8.637 0.304 1
1 502 . 18 1 1 A 54 54 ALA CA C 54 50.924 50.584 0.340 1
1 503 . 18 1 1 A 54 54 ALA HA H 54 4.962 5.331 -0.369 1
1 504 . 18 1 1 A 54 54 ALA CB C 54 20.004 22.715 -2.711 1
1 508 . 18 1 1 A 54 54 ALA C C 54 176.618 175.139 1.479 1
1 509 . 18 1 1 A 55 55 GLU N N 55 122.179 122.340 -0.161 1
1 510 . 18 1 1 A 55 55 GLU H H 55 8.153 8.775 -0.622 1
1 511 . 18 1 1 A 55 55 GLU CA C 55 55.689 56.364 -0.675 1
1 512 . 18 1 1 A 55 55 GLU HA H 55 4.569 4.680 -0.111 1
1 513 . 18 1 1 A 55 55 GLU CB C 55 31.003 30.777 0.226 1
1 519 . 18 1 1 A 55 55 GLU C C 55 176.867 175.281 1.586 1
1 520 . 18 1 1 A 56 56 ILE N N 56 127.733 126.120 1.613 1
1 521 . 18 1 1 A 56 56 ILE H H 56 8.948 8.641 0.307 1
1 522 . 18 1 1 A 56 56 ILE CA C 56 61.345 60.411 0.934 1
1 523 . 18 1 1 A 56 56 ILE HA H 56 4.744 5.129 -0.385 1
1 524 . 18 1 1 A 56 56 ILE CB C 56 40.978 41.346 -0.368 1
1 537 . 18 1 1 A 56 56 ILE C C 56 175.675 174.687 0.988 1
1 538 . 18 1 1 A 57 57 THR N N 57 124.172 124.163 0.009 1
1 539 . 18 1 1 A 57 57 THR H H 57 9.410 9.120 0.290 1
1 540 . 18 1 1 A 57 57 THR CA C 57 61.999 61.795 0.204 1
1 541 . 18 1 1 A 57 57 THR HA H 57 4.504 4.856 -0.352 1
1 542 . 18 1 1 A 57 57 THR CB C 57 70.660 69.616 1.044 1
1 548 . 18 1 1 A 57 57 THR C C 57 172.131 173.055 -0.924 1
1 549 . 18 1 1 A 58 58 PHE N N 58 126.429 128.047 -1.618 1
1 550 . 18 1 1 A 58 58 PHE H H 58 8.796 8.977 -0.181 1
1 551 . 18 1 1 A 58 58 PHE CA C 58 56.680 55.726 0.954 1
1 552 . 18 1 1 A 58 58 PHE HA H 58 4.981 5.245 -0.264 1
1 553 . 18 1 1 A 58 58 PHE CB C 58 42.400 40.851 1.549 1
1 566 . 18 1 1 A 58 58 PHE C C 58 173.719 173.389 0.330 1
1 567 . 18 1 1 A 59 59 ASP N N 59 126.210 127.232 -1.022 1
1 568 . 18 1 1 A 59 59 ASP H H 59 8.707 8.746 -0.039 1
1 569 . 18 1 1 A 59 59 ASP CA C 59 52.784 52.862 -0.078 1
1 570 . 18 1 1 A 59 59 ASP HA H 59 4.677 5.361 -0.684 1
1 571 . 18 1 1 A 59 59 ASP CB C 59 42.738 44.365 -1.627 1
1 574 . 18 1 1 A 59 59 ASP C C 59 173.710 174.680 -0.970 1
1 575 . 18 1 1 A 60 60 ASP N N 60 123.675 124.540 -0.865 1
1 576 . 18 1 1 A 60 60 ASP H H 60 8.490 9.123 -0.633 1
1 577 . 18 1 1 A 60 60 ASP CA C 60 53.871 52.951 0.920 1
1 578 . 18 1 1 A 60 60 ASP HA H 60 4.447 5.481 -1.034 1
1 579 . 18 1 1 A 60 60 ASP CB C 60 41.108 42.735 -1.627 1
1 582 . 18 1 1 A 60 60 ASP C C 60 176.691 174.860 1.831 1
1 583 . 18 1 1 A 61 61 HIS N N 61 124.385 121.017 3.368 1
1 584 . 18 1 1 A 61 61 HIS H H 61 8.122 8.405 -0.283 1
1 585 . 18 1 1 A 61 61 HIS CA C 61 55.608 56.540 -0.932 1
1 586 . 18 1 1 A 61 61 HIS HA H 61 4.769 4.970 -0.201 1
1 587 . 18 1 1 A 61 61 HIS CB C 61 28.607 32.764 -4.157 1
1 594 . 18 1 1 A 61 61 HIS C C 61 175.701 174.962 0.739 1
1 595 . 18 1 1 A 62 62 LYS N N 62 115.195 125.943 -10.748 1
1 596 . 18 1 1 A 62 62 LYS H H 62 9.178 8.986 0.192 1
1 597 . 18 1 1 A 62 62 LYS CA C 62 57.585 60.530 -2.945 1
1 598 . 18 1 1 A 62 62 LYS HA H 62 4.028 3.809 0.219 1
1 599 . 18 1 1 A 62 62 LYS CB C 62 29.373 32.662 -3.289 1
1 611 . 18 1 1 A 63 63 ASN N N 63 116.167 118.197 -2.030 1
1 612 . 18 1 1 A 63 63 ASN H H 63 7.900 8.287 -0.387 1
1 613 . 18 1 1 A 63 63 ASN CA C 63 52.056 55.635 -3.579 1
1 614 . 18 1 1 A 63 63 ASN HA H 63 4.835 4.499 0.336 1
1 615 . 18 1 1 A 63 63 ASN CB C 63 38.468 38.285 0.183 1
1 621 . 18 1 1 A 63 63 ASN C C 63 176.634 176.679 -0.045 1
1 622 . 18 1 1 A 64 64 GLY N N 64 108.877 106.441 2.436 1
1 623 . 18 1 1 A 64 64 GLY H H 64 8.718 7.894 0.824 1
1 624 . 18 1 1 A 64 64 GLY CA C 64 45.534 46.582 -1.048 1
1 625 . 18 1 1 A 64 64 GLY HA2 H 64 3.619 3.678 -0.059 1
1 626 . 18 1 1 A 64 64 GLY HA3 H 64 4.247 3.789 0.458 1
1 627 . 18 1 1 A 65 65 SER N N 65 115.229 117.622 -2.393 1
1 628 . 18 1 1 A 65 65 SER H H 65 7.962 7.903 0.059 1
1 629 . 18 1 1 A 65 65 SER CA C 65 57.108 59.559 -2.451 1
1 630 . 18 1 1 A 65 65 SER HA H 65 5.531 4.372 1.159 1
1 631 . 18 1 1 A 65 65 SER CB C 65 67.290 63.228 4.062 1
1 634 . 18 1 1 A 66 66 CYS N N 66 118.007 124.800 -6.793 1
1 635 . 18 1 1 A 66 66 CYS H H 66 8.807 8.747 0.060 1
1 636 . 18 1 1 A 66 66 CYS CA C 66 56.476 60.184 -3.708 1
1 637 . 18 1 1 A 66 66 CYS HA H 66 4.672 4.529 0.143 1
1 638 . 18 1 1 A 66 66 CYS CB C 66 31.077 30.386 0.691 1
1 641 . 18 1 1 A 67 67 GLY N N 67 112.448 107.661 4.787 1
1 642 . 18 1 1 A 67 67 GLY H H 67 8.679 7.694 0.985 1
1 643 . 18 1 1 A 67 67 GLY CA C 67 45.004 44.118 0.886 1
1 644 . 18 1 1 A 67 67 GLY HA2 H 67 3.629 3.756 -0.127 1
1 645 . 18 1 1 A 67 67 GLY HA3 H 67 4.645 3.774 0.871 1
1 646 . 18 1 1 A 67 67 GLY C C 67 171.754 172.758 -1.004 1
1 647 . 18 1 1 A 68 68 VAL N N 68 123.840 121.790 2.050 1
1 648 . 18 1 1 A 68 68 VAL H H 68 8.486 7.700 0.786 1
1 649 . 18 1 1 A 68 68 VAL CA C 68 60.143 61.213 -1.070 1
1 650 . 18 1 1 A 68 68 VAL HA H 68 4.579 4.266 0.313 1
1 651 . 18 1 1 A 68 68 VAL CB C 68 33.946 33.321 0.625 1
1 661 . 18 1 1 A 68 68 VAL C C 68 174.396 174.763 -0.367 1
1 662 . 18 1 1 A 69 69 SER N N 69 119.414 120.612 -1.198 1
1 663 . 18 1 1 A 69 69 SER H H 69 8.450 8.432 0.018 1
1 664 . 18 1 1 A 69 69 SER CA C 69 56.169 55.464 0.705 1
1 665 . 18 1 1 A 69 69 SER HA H 69 5.442 5.418 0.024 1
1 666 . 18 1 1 A 69 69 SER CB C 69 65.640 66.390 -0.750 1
1 669 . 18 1 1 A 69 69 SER C C 69 173.189 173.412 -0.223 1
1 670 . 18 1 1 A 70 70 TYR N N 70 119.504 117.560 1.944 1
1 671 . 18 1 1 A 70 70 TYR H H 70 8.771 8.778 -0.007 1
1 672 . 18 1 1 A 70 70 TYR CA C 70 54.962 55.974 -1.012 1
1 673 . 18 1 1 A 70 70 TYR HA H 70 5.922 5.721 0.201 1
1 674 . 18 1 1 A 70 70 TYR CB C 70 42.710 41.717 0.993 1
1 685 . 18 1 1 A 70 70 TYR C C 70 173.056 172.624 0.432 1
1 686 . 18 1 1 A 71 71 ILE N N 71 117.727 122.432 -4.705 1
1 687 . 18 1 1 A 71 71 ILE H H 71 8.196 8.575 -0.379 1
1 688 . 18 1 1 A 71 71 ILE CA C 71 60.132 59.616 0.516 1
1 689 . 18 1 1 A 71 71 ILE HA H 71 4.161 4.818 -0.657 1
1 690 . 18 1 1 A 71 71 ILE CB C 71 40.790 40.893 -0.103 1
1 703 . 18 1 1 A 71 71 ILE C C 71 175.114 174.847 0.267 1
1 704 . 18 1 1 A 72 72 ALA N N 72 133.145 128.206 4.939 1
1 705 . 18 1 1 A 72 72 ALA H H 72 9.466 8.305 1.161 1
1 706 . 18 1 1 A 72 72 ALA CA C 72 50.261 50.397 -0.136 1
1 707 . 18 1 1 A 72 72 ALA HA H 72 4.567 4.640 -0.073 1
1 708 . 18 1 1 A 72 72 ALA CB C 72 19.699 19.801 -0.102 1
1 712 . 18 1 1 A 72 72 ALA C C 72 177.170 177.587 -0.417 1
1 713 . 18 1 1 A 73 73 GLN N N 73 120.464 124.320 -3.856 1
1 714 . 18 1 1 A 73 73 GLN H H 73 8.649 8.587 0.062 1
1 715 . 18 1 1 A 73 73 GLN CA C 73 57.614 58.923 -1.309 1
1 716 . 18 1 1 A 73 73 GLN HA H 73 4.083 4.135 -0.052 1
1 717 . 18 1 1 A 73 73 GLN CB C 73 29.667 28.883 0.784 1
1 726 . 18 1 1 A 73 73 GLN C C 73 175.643 176.442 -0.799 1
1 727 . 18 1 1 A 74 74 GLU N N 74 114.557 117.612 -3.055 1
1 728 . 18 1 1 A 74 74 GLU H H 74 7.102 8.178 -1.076 1
1 729 . 18 1 1 A 74 74 GLU CA C 74 52.242 52.927 -0.685 1
1 730 . 18 1 1 A 74 74 GLU HA H 74 4.988 4.779 0.209 1
1 731 . 18 1 1 A 74 74 GLU CB C 74 31.732 30.716 1.016 1
1 737 . 18 1 1 A 74 74 GLU C C 74 174.462 173.946 0.516 1
1 738 . 18 1 1 A 75 75 PRO CA C 75 63.007 63.291 -0.284 1
1 739 . 18 1 1 A 75 75 PRO HA H 75 4.335 4.676 -0.341 1
1 740 . 18 1 1 A 75 75 PRO CB C 75 32.866 32.896 -0.030 1
1 749 . 18 1 1 A 75 75 PRO C C 75 174.572 175.917 -1.345 1
1 750 . 18 1 1 A 76 76 GLY N N 76 107.234 107.769 -0.535 1
1 751 . 18 1 1 A 76 76 GLY H H 76 9.012 8.405 0.607 1
1 752 . 18 1 1 A 76 76 GLY CA C 76 44.615 44.795 -0.180 1
1 753 . 18 1 1 A 76 76 GLY HA2 H 76 3.850 4.131 -0.281 1
1 754 . 18 1 1 A 76 76 GLY HA3 H 76 4.201 4.183 0.018 1
1 755 . 18 1 1 A 76 76 GLY C C 76 171.133 171.980 -0.847 1
1 756 . 18 1 1 A 77 77 ASN N N 77 119.292 118.904 0.388 1
1 757 . 18 1 1 A 77 77 ASN H H 77 8.549 8.421 0.128 1
1 758 . 18 1 1 A 77 77 ASN CA C 77 52.364 52.778 -0.414 1
1 759 . 18 1 1 A 77 77 ASN HA H 77 5.369 5.205 0.164 1
1 760 . 18 1 1 A 77 77 ASN CB C 77 39.176 38.978 0.198 1
1 766 . 18 1 1 A 77 77 ASN C C 77 174.470 173.981 0.489 1
1 767 . 18 1 1 A 78 78 TYR N N 78 123.809 125.233 -1.424 1
1 768 . 18 1 1 A 78 78 TYR H H 78 9.094 8.995 0.099 1
1 769 . 18 1 1 A 78 78 TYR CA C 78 56.818 57.953 -1.135 1
1 770 . 18 1 1 A 78 78 TYR HA H 78 4.859 4.867 -0.008 1
1 771 . 18 1 1 A 78 78 TYR CB C 78 39.860 38.746 1.114 1
1 782 . 18 1 1 A 78 78 TYR C C 78 174.184 175.022 -0.838 1
1 783 . 18 1 1 A 79 79 GLU N N 79 122.250 125.780 -3.530 1
1 784 . 18 1 1 A 79 79 GLU H H 79 9.259 8.895 0.364 1
1 785 . 18 1 1 A 79 79 GLU CA C 79 54.692 55.873 -1.181 1
1 786 . 18 1 1 A 79 79 GLU HA H 79 5.313 4.992 0.321 1
1 787 . 18 1 1 A 79 79 GLU CB C 79 32.159 30.365 1.794 1
1 793 . 18 1 1 A 79 79 GLU C C 79 176.631 175.192 1.439 1
1 794 . 18 1 1 A 80 80 VAL N N 80 131.418 127.897 3.521 1
1 795 . 18 1 1 A 80 80 VAL H H 80 9.761 8.281 1.480 1
1 796 . 18 1 1 A 80 80 VAL CA C 80 61.522 62.224 -0.702 1
1 797 . 18 1 1 A 80 80 VAL HA H 80 4.801 4.253 0.548 1
1 798 . 18 1 1 A 80 80 VAL CB C 80 32.818 31.790 1.028 1
1 808 . 18 1 1 A 80 80 VAL C C 80 175.573 175.480 0.093 1
1 809 . 18 1 1 A 81 81 SER N N 81 123.238 121.693 1.545 1
1 810 . 18 1 1 A 81 81 SER H H 81 9.457 8.984 0.473 1
1 811 . 18 1 1 A 81 81 SER CA C 81 57.589 56.679 0.910 1
1 812 . 18 1 1 A 81 81 SER HA H 81 5.167 5.157 0.010 1
1 813 . 18 1 1 A 81 81 SER CB C 81 64.882 64.534 0.348 1
1 816 . 18 1 1 A 81 81 SER C C 81 173.514 173.815 -0.301 1
1 817 . 18 1 1 A 82 82 ILE N N 82 126.261 126.556 -0.295 1
1 818 . 18 1 1 A 82 82 ILE H H 82 9.642 9.059 0.583 1
1 819 . 18 1 1 A 82 82 ILE CA C 82 60.992 60.159 0.833 1
1 820 . 18 1 1 A 82 82 ILE HA H 82 4.667 5.203 -0.536 1
1 821 . 18 1 1 A 82 82 ILE CB C 82 40.692 40.764 -0.072 1
1 834 . 18 1 1 A 82 82 ILE C C 82 173.498 175.220 -1.722 1
1 835 . 18 1 1 A 83 83 LYS N N 83 123.477 126.662 -3.185 1
1 836 . 18 1 1 A 83 83 LYS H H 83 8.720 8.790 -0.070 1
1 837 . 18 1 1 A 83 83 LYS CA C 83 53.730 54.737 -1.007 1
1 838 . 18 1 1 A 83 83 LYS HA H 83 5.139 5.164 -0.025 1
1 839 . 18 1 1 A 83 83 LYS CB C 83 36.351 34.901 1.450 1
1 851 . 18 1 1 A 83 83 LYS C C 83 174.914 174.579 0.335 1
1 852 . 18 1 1 A 84 84 PHE N N 84 122.298 126.450 -4.152 1
1 853 . 18 1 1 A 84 84 PHE H H 84 9.154 9.078 0.076 1
1 854 . 18 1 1 A 84 84 PHE CA C 84 56.057 57.620 -1.563 1
1 855 . 18 1 1 A 84 84 PHE HA H 84 5.238 4.828 0.410 1
1 856 . 18 1 1 A 84 84 PHE CB C 84 43.136 40.646 2.490 1
1 867 . 18 1 1 A 84 84 PHE C C 84 175.864 176.090 -0.226 1
1 868 . 18 1 1 A 85 85 ASN N N 85 127.936 125.717 2.219 1
1 869 . 18 1 1 A 85 85 ASN H H 85 9.040 8.490 0.550 1
1 870 . 18 1 1 A 85 85 ASN CA C 85 54.448 53.647 0.801 1
1 871 . 18 1 1 A 85 85 ASN HA H 85 4.206 4.194 0.012 1
1 872 . 18 1 1 A 85 85 ASN CB C 85 36.554 35.823 0.731 1
1 878 . 18 1 1 A 85 85 ASN C C 85 174.620 175.119 -0.499 1
1 879 . 18 1 1 A 86 86 ASP N N 86 108.763 118.105 -9.342 1
1 880 . 18 1 1 A 86 86 ASP H H 86 8.828 8.482 0.346 1
1 881 . 18 1 1 A 86 86 ASP CA C 86 56.405 55.158 1.247 1
1 882 . 18 1 1 A 86 86 ASP HA H 86 3.946 4.210 -0.264 1
1 883 . 18 1 1 A 86 86 ASP CB C 86 40.367 39.620 0.747 1
1 886 . 18 1 1 A 86 86 ASP C C 86 174.169 174.794 -0.625 1
1 887 . 18 1 1 A 87 87 GLU N N 87 119.289 117.038 2.251 1
1 888 . 18 1 1 A 87 87 GLU H H 87 7.510 7.536 -0.026 1
1 889 . 18 1 1 A 87 87 GLU CA C 87 54.483 54.797 -0.314 1
1 890 . 18 1 1 A 87 87 GLU HA H 87 4.743 4.896 -0.153 1
1 891 . 18 1 1 A 87 87 GLU CB C 87 32.763 33.676 -0.913 1
1 897 . 18 1 1 A 87 87 GLU C C 87 175.825 175.423 0.402 1
1 898 . 18 1 1 A 88 88 HIS N N 88 123.465 120.771 2.694 1
1 899 . 18 1 1 A 88 88 HIS H H 88 8.822 9.206 -0.384 1
1 900 . 18 1 1 A 88 88 HIS CA C 88 59.117 55.548 3.569 1
1 901 . 18 1 1 A 88 88 HIS HA H 88 4.511 4.901 -0.390 1
1 902 . 18 1 1 A 88 88 HIS CB C 88 32.254 28.930 3.324 1
1 909 . 18 1 1 A 88 88 HIS C C 88 177.352 175.429 1.923 1
1 910 . 18 1 1 A 89 89 ILE N N 89 117.945 123.583 -5.638 1
1 911 . 18 1 1 A 89 89 ILE H H 89 8.131 8.448 -0.317 1
1 912 . 18 1 1 A 89 89 ILE CA C 89 61.121 60.252 0.869 1
1 913 . 18 1 1 A 89 89 ILE HA H 89 4.519 4.335 0.184 1
1 914 . 18 1 1 A 89 89 ILE CB C 89 35.538 37.675 -2.137 1
1 927 . 18 1 1 A 89 89 ILE C C 89 173.831 176.576 -2.745 1
1 928 . 18 1 1 A 90 90 PRO CA C 90 66.545 64.347 2.198 1
1 929 . 18 1 1 A 90 90 PRO HA H 90 4.223 4.559 -0.336 1
1 930 . 18 1 1 A 90 90 PRO CB C 90 31.693 31.609 0.084 1
1 939 . 18 1 1 A 90 90 PRO C C 90 177.046 176.410 0.636 1
1 940 . 18 1 1 A 91 91 GLU N N 91 113.835 117.174 -3.339 1
1 941 . 18 1 1 A 91 91 GLU H H 91 8.223 8.157 0.066 1
1 942 . 18 1 1 A 91 91 GLU CA C 91 57.913 56.376 1.537 1
1 943 . 18 1 1 A 91 91 GLU HA H 91 3.733 4.370 -0.637 1
1 944 . 18 1 1 A 91 91 GLU CB C 91 27.681 31.296 -3.615 1
1 950 . 18 1 1 A 91 91 GLU C C 91 173.469 175.985 -2.516 1
1 951 . 18 1 1 A 92 92 SER N N 92 111.462 112.951 -1.489 1
1 952 . 18 1 1 A 92 92 SER H H 92 7.489 7.595 -0.106 1
1 953 . 18 1 1 A 92 92 SER CA C 92 54.873 55.319 -0.446 1
1 954 . 18 1 1 A 92 92 SER HA H 92 4.427 4.768 -0.341 1
1 955 . 18 1 1 A 92 92 SER CB C 92 63.317 64.566 -1.249 1
1 958 . 18 1 1 A 92 92 SER C C 92 174.195 172.943 1.252 1
1 959 . 18 1 1 A 93 93 PRO CA C 93 62.333 62.489 -0.156 1
1 960 . 18 1 1 A 93 93 PRO HA H 93 5.483 4.796 0.687 1
1 961 . 18 1 1 A 93 93 PRO CB C 93 34.386 32.963 1.423 1
1 970 . 18 1 1 A 93 93 PRO C C 93 176.059 174.980 1.079 1
1 971 . 18 1 1 A 94 94 TYR N N 94 122.179 119.148 3.031 1
1 972 . 18 1 1 A 94 94 TYR H H 94 9.372 8.904 0.468 1
1 973 . 18 1 1 A 94 94 TYR CA C 94 57.101 56.708 0.393 1
1 974 . 18 1 1 A 94 94 TYR HA H 94 4.531 5.191 -0.660 1
1 975 . 18 1 1 A 94 94 TYR CB C 94 40.027 41.774 -1.747 1
1 986 . 18 1 1 A 94 94 TYR C C 94 175.281 174.267 1.014 1
1 987 . 18 1 1 A 95 95 LEU N N 95 126.428 123.947 2.481 1
1 988 . 18 1 1 A 95 95 LEU H H 95 8.807 8.767 0.040 1
1 989 . 18 1 1 A 95 95 LEU CA C 95 54.200 53.767 0.433 1
1 990 . 18 1 1 A 95 95 LEU HA H 95 4.981 5.109 -0.128 1
1 991 . 18 1 1 A 95 95 LEU CB C 95 41.894 44.241 -2.347 1
1 1004 . 18 1 1 A 95 95 LEU C C 95 176.295 174.512 1.783 1
1 1005 . 18 1 1 A 96 96 VAL N N 96 130.944 127.628 3.316 1
1 1006 . 18 1 1 A 96 96 VAL H H 96 9.629 8.654 0.975 1
1 1007 . 18 1 1 A 96 96 VAL CA C 96 59.813 59.477 0.336 1
1 1008 . 18 1 1 A 96 96 VAL HA H 96 4.469 4.623 -0.154 1
1 1009 . 18 1 1 A 96 96 VAL CB C 96 35.052 32.978 2.074 1
1 1019 . 18 1 1 A 96 96 VAL C C 96 173.734 174.867 -1.133 1
1 1020 . 18 1 1 A 97 97 PRO CA C 97 62.379 62.387 -0.008 1
1 1021 . 18 1 1 A 97 97 PRO HA H 97 5.016 4.794 0.222 1
1 1022 . 18 1 1 A 97 97 PRO CB C 97 32.163 30.198 1.965 1
1 1031 . 18 1 1 A 97 97 PRO C C 97 175.950 176.447 -0.497 1
1 1032 . 18 1 1 A 98 98 VAL N N 98 125.524 123.915 1.609 1
1 1033 . 18 1 1 A 98 98 VAL H H 98 9.196 8.912 0.284 1
1 1034 . 18 1 1 A 98 98 VAL CA C 98 61.345 62.903 -1.558 1
1 1035 . 18 1 1 A 98 98 VAL HA H 98 4.411 4.813 -0.402 1
1 1036 . 18 1 1 A 98 98 VAL CB C 98 32.037 32.182 -0.145 1
1 1046 . 18 1 1 A 98 98 VAL C C 98 176.996 175.838 1.158 1
1 1047 . 18 1 1 A 99 99 ILE N N 99 124.035 121.213 2.822 1
1 1048 . 18 1 1 A 99 99 ILE H H 99 8.392 8.548 -0.156 1
1 1049 . 18 1 1 A 99 99 ILE CA C 99 59.802 58.870 0.932 1
1 1050 . 18 1 1 A 99 99 ILE HA H 99 4.651 5.011 -0.360 1
1 1051 . 18 1 1 A 99 99 ILE CB C 99 40.609 42.152 -1.543 1
1 1064 . 18 1 1 A 99 99 ILE C C 99 175.482 174.550 0.932 1
1 1065 . 18 1 1 A 100 100 ALA N N 100 125.837 125.260 0.577 1
1 1066 . 18 1 1 A 100 100 ALA H H 100 8.714 8.555 0.159 1
1 1067 . 18 1 1 A 100 100 ALA CA C 100 50.416 50.137 0.279 1
1 1068 . 18 1 1 A 100 100 ALA HA H 100 4.603 4.488 0.115 1
1 1069 . 18 1 1 A 100 100 ALA CB C 100 18.088 19.646 -1.558 1
1 1073 . 18 1 1 A 100 100 ALA C C 100 175.264 176.391 -1.127 1
1 1074 . 18 1 1 A 101 101 PRO CA C 101 63.104 62.806 0.298 1
1 1075 . 18 1 1 A 101 101 PRO HA H 101 4.483 4.565 -0.082 1
1 1076 . 18 1 1 A 101 101 PRO CB C 101 32.222 31.857 0.365 1
1 1085 . 18 1 1 A 101 101 PRO C C 101 176.976 176.433 0.543 1
1 1086 . 18 1 1 A 102 102 SER N N 102 116.530 120.224 -3.694 1
1 1087 . 18 1 1 A 102 102 SER H H 102 8.527 8.492 0.035 1
1 1088 . 18 1 1 A 102 102 SER CA C 102 58.283 57.677 0.606 1
1 1089 . 18 1 1 A 102 102 SER HA H 102 4.433 4.718 -0.285 1
1 1090 . 18 1 1 A 102 102 SER CB C 102 64.078 61.204 2.874 1
1 1093 . 18 1 1 A 102 102 SER C C 102 174.510 173.086 1.424 1
1 1094 . 18 1 1 A 103 103 ASP N N 103 123.018 123.818 -0.800 1
1 1095 . 18 1 1 A 103 103 ASP H H 103 8.450 7.720 0.730 1
1 1096 . 18 1 1 A 103 103 ASP CA C 103 54.431 52.535 1.896 1
1 1097 . 18 1 1 A 103 103 ASP HA H 103 4.654 5.049 -0.395 1
1 1098 . 18 1 1 A 103 103 ASP CB C 103 41.226 42.713 -1.487 1
1 1101 . 18 1 1 A 103 103 ASP C C 103 175.889 175.837 0.052 1
1 1102 . 18 1 1 A 104 104 ASP N N 104 120.896 119.383 1.513 1
1 1103 . 18 1 1 A 104 104 ASP H H 104 8.264 8.676 -0.412 1
1 1104 . 18 1 1 A 104 104 ASP CA C 104 54.283 55.045 -0.762 1
1 1105 . 18 1 1 A 104 104 ASP HA H 104 4.601 4.636 -0.035 1
1 1106 . 18 1 1 A 104 104 ASP CB C 104 41.183 42.063 -0.880 1
1 1109 . 18 1 1 A 104 104 ASP C C 104 175.065 176.549 -1.484 1
1 1 . 19 1 1 A 7 7 GLY N N 7 110.767 112.250 -1.483 1
1 2 . 19 1 1 A 7 7 GLY H H 7 8.421 8.405 0.016 1
1 3 . 19 1 1 A 7 7 GLY CA C 7 45.393 46.187 -0.794 1
1 4 . 19 1 1 A 7 7 GLY HA2 H 7 4.003 4.097 -0.094 1
1 5 . 19 1 1 A 7 7 GLY HA3 H 7 4.003 4.104 -0.101 1
1 6 . 19 1 1 A 7 7 GLY C C 7 174.160 174.823 -0.663 1
1 7 . 19 1 1 A 8 8 GLU N N 8 120.419 121.784 -1.365 1
1 8 . 19 1 1 A 8 8 GLU H H 8 8.320 8.480 -0.160 1
1 9 . 19 1 1 A 8 8 GLU CA C 8 56.499 57.126 -0.627 1
1 10 . 19 1 1 A 8 8 GLU HA H 8 4.390 4.561 -0.171 1
1 11 . 19 1 1 A 8 8 GLU CB C 8 30.615 32.211 -1.596 1
1 17 . 19 1 1 A 8 8 GLU C C 8 176.858 176.585 0.273 1
1 18 . 19 1 1 A 9 9 GLY N N 9 109.731 104.663 5.068 1
1 19 . 19 1 1 A 9 9 GLY H H 9 8.522 7.586 0.936 1
1 20 . 19 1 1 A 9 9 GLY CA C 9 45.110 46.129 -1.019 1
1 21 . 19 1 1 A 9 9 GLY HA2 H 9 4.090 4.116 -0.026 1
1 22 . 19 1 1 A 9 9 GLY HA3 H 9 3.931 4.263 -0.332 1
1 23 . 19 1 1 A 9 9 GLY C C 9 173.933 172.062 1.871 1
1 24 . 19 1 1 A 10 10 GLY N N 10 107.139 109.955 -2.816 1
1 25 . 19 1 1 A 10 10 GLY H H 10 8.393 8.157 0.236 1
1 26 . 19 1 1 A 10 10 GLY CA C 10 45.039 45.693 -0.654 1
1 27 . 19 1 1 A 10 10 GLY HA2 H 10 3.868 4.441 -0.573 1
1 28 . 19 1 1 A 10 10 GLY HA3 H 10 4.528 4.500 0.028 1
1 29 . 19 1 1 A 10 10 GLY C C 10 174.561 174.143 0.418 1
1 30 . 19 1 1 A 11 11 ALA N N 11 122.466 128.755 -6.289 1
1 31 . 19 1 1 A 11 11 ALA H H 11 8.875 8.800 0.075 1
1 32 . 19 1 1 A 11 11 ALA CA C 11 55.391 54.521 0.870 1
1 33 . 19 1 1 A 11 11 ALA HA H 11 3.803 4.313 -0.510 1
1 34 . 19 1 1 A 11 11 ALA CB C 11 19.583 19.809 -0.226 1
1 38 . 19 1 1 A 11 11 ALA C C 11 178.242 179.624 -1.382 1
1 39 . 19 1 1 A 12 12 HIS N N 12 111.513 115.365 -3.852 1
1 40 . 19 1 1 A 12 12 HIS H H 12 8.290 8.516 -0.226 1
1 41 . 19 1 1 A 12 12 HIS CA C 12 57.847 58.843 -0.996 1
1 42 . 19 1 1 A 12 12 HIS HA H 12 4.443 4.379 0.064 1
1 43 . 19 1 1 A 12 12 HIS CB C 12 29.321 28.733 0.588 1
1 50 . 19 1 1 A 12 12 HIS C C 12 176.189 176.158 0.031 1
1 51 . 19 1 1 A 13 13 LYS N N 13 118.111 117.905 0.206 1
1 52 . 19 1 1 A 13 13 LYS H H 13 7.558 6.953 0.605 1
1 53 . 19 1 1 A 13 13 LYS CA C 13 54.660 55.467 -0.807 1
1 54 . 19 1 1 A 13 13 LYS HA H 13 4.202 4.088 0.114 1
1 55 . 19 1 1 A 13 13 LYS CB C 13 32.655 31.954 0.701 1
1 67 . 19 1 1 A 13 13 LYS C C 13 176.721 174.688 2.033 1
1 68 . 19 1 1 A 14 14 VAL N N 14 123.625 119.381 4.244 1
1 69 . 19 1 1 A 14 14 VAL H H 14 7.499 7.339 0.160 1
1 70 . 19 1 1 A 14 14 VAL CA C 14 63.247 61.151 2.096 1
1 71 . 19 1 1 A 14 14 VAL HA H 14 3.907 4.386 -0.479 1
1 72 . 19 1 1 A 14 14 VAL CB C 14 31.649 33.846 -2.197 1
1 82 . 19 1 1 A 15 15 ARG H H 15 8.106 8.724 -0.618 1
1 83 . 19 1 1 A 15 15 ARG CA C 15 53.791 54.333 -0.542 1
1 84 . 19 1 1 A 15 15 ARG HA H 15 5.021 4.929 0.092 1
1 85 . 19 1 1 A 15 15 ARG CB C 15 34.207 33.300 0.907 1
1 94 . 19 1 1 A 16 16 ALA N N 16 123.795 123.746 0.049 1
1 95 . 19 1 1 A 16 16 ALA H H 16 8.875 8.873 0.002 1
1 96 . 19 1 1 A 16 16 ALA CA C 16 51.092 50.307 0.785 1
1 97 . 19 1 1 A 16 16 ALA HA H 16 5.569 5.346 0.223 1
1 98 . 19 1 1 A 16 16 ALA CB C 16 23.845 21.627 2.218 1
1 102 . 19 1 1 A 17 17 GLY N N 17 106.516 109.034 -2.518 1
1 103 . 19 1 1 A 17 17 GLY H H 17 8.616 8.464 0.152 1
1 104 . 19 1 1 A 17 17 GLY CA C 17 46.205 45.440 0.765 1
1 105 . 19 1 1 A 17 17 GLY HA2 H 17 4.289 4.341 -0.052 1
1 106 . 19 1 1 A 17 17 GLY HA3 H 17 4.226 4.393 -0.167 1
1 107 . 19 1 1 A 18 18 GLY N N 18 111.804 106.934 4.870 1
1 108 . 19 1 1 A 18 18 GLY H H 18 8.816 8.437 0.379 1
1 109 . 19 1 1 A 18 18 GLY CA C 18 44.595 44.438 0.157 1
1 110 . 19 1 1 A 18 18 GLY HA2 H 18 4.105 4.192 -0.087 1
1 111 . 19 1 1 A 18 18 GLY HA3 H 18 4.105 4.227 -0.122 1
1 112 . 19 1 1 A 19 19 PRO CA C 19 65.526 63.630 1.896 1
1 113 . 19 1 1 A 19 19 PRO HA H 19 4.335 4.293 0.042 1
1 114 . 19 1 1 A 19 19 PRO CB C 19 31.790 31.308 0.482 1
1 123 . 19 1 1 A 19 19 PRO C C 19 179.208 177.250 1.958 1
1 124 . 19 1 1 A 20 20 GLY N N 20 103.234 112.444 -9.210 1
1 125 . 19 1 1 A 20 20 GLY H H 20 9.282 8.557 0.725 1
1 126 . 19 1 1 A 20 20 GLY CA C 20 46.361 45.558 0.803 1
1 127 . 19 1 1 A 20 20 GLY HA2 H 20 3.214 3.961 -0.747 1
1 128 . 19 1 1 A 20 20 GLY HA3 H 20 4.184 3.994 0.190 1
1 129 . 19 1 1 A 20 20 GLY C C 20 172.711 176.040 -3.329 1
1 130 . 19 1 1 A 21 21 LEU N N 21 116.307 122.329 -6.022 1
1 131 . 19 1 1 A 21 21 LEU H H 21 7.559 8.287 -0.728 1
1 132 . 19 1 1 A 21 21 LEU CA C 21 53.980 57.251 -3.271 1
1 133 . 19 1 1 A 21 21 LEU HA H 21 4.166 3.874 0.292 1
1 134 . 19 1 1 A 21 21 LEU CB C 21 40.135 41.298 -1.163 1
1 147 . 19 1 1 A 21 21 LEU C C 21 175.859 179.392 -3.533 1
1 148 . 19 1 1 A 22 22 GLU N N 22 119.926 116.040 3.886 1
1 149 . 19 1 1 A 22 22 GLU H H 22 7.927 8.504 -0.577 1
1 150 . 19 1 1 A 22 22 GLU CA C 22 57.490 58.634 -1.144 1
1 151 . 19 1 1 A 22 22 GLU HA H 22 4.511 4.175 0.336 1
1 152 . 19 1 1 A 22 22 GLU CB C 22 32.057 29.139 2.918 1
1 158 . 19 1 1 A 22 22 GLU C C 22 175.521 176.379 -0.858 1
1 159 . 19 1 1 A 23 23 ARG N N 23 116.789 119.482 -2.693 1
1 160 . 19 1 1 A 23 23 ARG H H 23 8.340 7.373 0.967 1
1 161 . 19 1 1 A 23 23 ARG CA C 23 56.464 55.627 0.837 1
1 162 . 19 1 1 A 23 23 ARG HA H 23 4.688 4.727 -0.039 1
1 163 . 19 1 1 A 23 23 ARG CB C 23 32.571 33.904 -1.333 1
1 174 . 19 1 1 A 23 23 ARG C C 23 173.992 174.658 -0.666 1
1 175 . 19 1 1 A 24 24 GLY N N 24 108.837 111.958 -3.121 1
1 176 . 19 1 1 A 24 24 GLY H H 24 8.736 8.750 -0.014 1
1 177 . 19 1 1 A 24 24 GLY CA C 24 43.943 44.541 -0.598 1
1 178 . 19 1 1 A 24 24 GLY HA2 H 24 3.510 4.286 -0.776 1
1 179 . 19 1 1 A 24 24 GLY HA3 H 24 4.679 4.325 0.354 1
1 180 . 19 1 1 A 24 24 GLY C C 24 171.930 172.636 -0.706 1
1 181 . 19 1 1 A 25 25 GLU N N 25 122.126 120.831 1.295 1
1 182 . 19 1 1 A 25 25 GLU H H 25 9.429 8.553 0.876 1
1 183 . 19 1 1 A 25 25 GLU CA C 25 54.209 54.870 -0.661 1
1 184 . 19 1 1 A 25 25 GLU HA H 25 5.049 5.133 -0.084 1
1 185 . 19 1 1 A 25 25 GLU CB C 25 32.945 33.545 -0.600 1
1 191 . 19 1 1 A 25 25 GLU C C 25 175.853 175.891 -0.038 1
1 192 . 19 1 1 A 26 26 ALA N N 26 128.654 127.147 1.507 1
1 193 . 19 1 1 A 26 26 ALA H H 26 8.518 8.781 -0.263 1
1 194 . 19 1 1 A 26 26 ALA CA C 26 53.187 53.828 -0.641 1
1 195 . 19 1 1 A 26 26 ALA HA H 26 3.855 4.286 -0.431 1
1 196 . 19 1 1 A 26 26 ALA CB C 26 17.420 18.366 -0.946 1
1 200 . 19 1 1 A 26 26 ALA C C 26 177.837 178.362 -0.525 1
1 201 . 19 1 1 A 27 27 GLY N N 27 108.210 110.758 -2.548 1
1 202 . 19 1 1 A 27 27 GLY H H 27 8.583 8.438 0.145 1
1 203 . 19 1 1 A 27 27 GLY CA C 27 45.619 45.387 0.232 1
1 204 . 19 1 1 A 27 27 GLY HA2 H 27 3.364 3.928 -0.564 1
1 205 . 19 1 1 A 27 27 GLY HA3 H 27 4.158 3.933 0.225 1
1 206 . 19 1 1 A 27 27 GLY C C 27 173.084 173.488 -0.404 1
1 207 . 19 1 1 A 28 28 VAL N N 28 122.974 122.600 0.374 1
1 208 . 19 1 1 A 28 28 VAL H H 28 7.878 7.713 0.165 1
1 209 . 19 1 1 A 28 28 VAL CA C 28 59.182 58.958 0.224 1
1 210 . 19 1 1 A 28 28 VAL HA H 28 4.510 4.314 0.196 1
1 211 . 19 1 1 A 28 28 VAL CB C 28 34.549 33.310 1.239 1
1 221 . 19 1 1 A 28 28 VAL C C 28 174.171 174.783 -0.612 1
1 222 . 19 1 1 A 29 29 PRO CA C 29 64.354 62.230 2.124 1
1 223 . 19 1 1 A 29 29 PRO HA H 29 4.064 4.534 -0.470 1
1 224 . 19 1 1 A 29 29 PRO CB C 29 31.464 31.448 0.016 1
1 233 . 19 1 1 A 29 29 PRO C C 29 174.718 175.920 -1.202 1
1 234 . 19 1 1 A 30 30 ALA N N 30 131.821 126.855 4.966 1
1 235 . 19 1 1 A 30 30 ALA H H 30 8.990 7.985 1.005 1
1 236 . 19 1 1 A 30 30 ALA CA C 30 50.482 51.179 -0.697 1
1 237 . 19 1 1 A 30 30 ALA HA H 30 4.558 4.590 -0.032 1
1 238 . 19 1 1 A 30 30 ALA CB C 30 18.793 19.360 -0.567 1
1 242 . 19 1 1 A 30 30 ALA C C 30 176.319 176.299 0.020 1
1 243 . 19 1 1 A 31 31 GLU N N 31 119.523 124.340 -4.817 1
1 244 . 19 1 1 A 31 31 GLU H H 31 8.273 9.133 -0.860 1
1 245 . 19 1 1 A 31 31 GLU CA C 31 55.261 55.309 -0.048 1
1 246 . 19 1 1 A 31 31 GLU HA H 31 5.290 5.278 0.012 1
1 247 . 19 1 1 A 31 31 GLU CB C 31 33.484 31.540 1.944 1
1 253 . 19 1 1 A 31 31 GLU C C 31 176.617 176.089 0.528 1
1 254 . 19 1 1 A 32 32 PHE N N 32 115.139 120.110 -4.971 1
1 255 . 19 1 1 A 32 32 PHE H H 32 8.905 8.933 -0.028 1
1 256 . 19 1 1 A 32 32 PHE CA C 32 57.490 55.414 2.076 1
1 257 . 19 1 1 A 32 32 PHE HA H 32 5.031 5.686 -0.655 1
1 258 . 19 1 1 A 32 32 PHE CB C 32 39.989 42.561 -2.572 1
1 271 . 19 1 1 A 32 32 PHE C C 32 172.714 173.046 -0.332 1
1 272 . 19 1 1 A 33 33 SER CA C 33 57.324 58.261 -0.937 1
1 273 . 19 1 1 A 33 33 SER HA H 33 5.404 5.005 0.399 1
1 274 . 19 1 1 A 33 33 SER CB C 33 66.623 64.485 2.138 1
1 277 . 19 1 1 A 34 34 ILE N N 34 127.688 123.641 4.047 1
1 278 . 19 1 1 A 34 34 ILE H H 34 9.577 8.880 0.697 1
1 279 . 19 1 1 A 34 34 ILE CA C 34 60.614 60.582 0.032 1
1 280 . 19 1 1 A 34 34 ILE HA H 34 4.668 4.924 -0.256 1
1 281 . 19 1 1 A 34 34 ILE CB C 34 41.681 40.887 0.794 1
1 294 . 19 1 1 A 35 35 TRP CA C 35 58.440 55.023 3.417 1
1 295 . 19 1 1 A 35 35 TRP HA H 35 5.262 5.758 -0.496 1
1 296 . 19 1 1 A 35 35 TRP CB C 35 30.511 32.035 -1.524 1
1 311 . 19 1 1 A 36 36 THR N N 36 114.021 114.132 -0.111 1
1 312 . 19 1 1 A 36 36 THR H H 36 8.680 8.526 0.154 1
1 313 . 19 1 1 A 36 36 THR CA C 36 61.459 60.375 1.084 1
1 314 . 19 1 1 A 36 36 THR HA H 36 4.364 4.495 -0.131 1
1 315 . 19 1 1 A 36 36 THR CB C 36 69.197 68.386 0.811 1
1 321 . 19 1 1 A 37 37 ARG CA C 37 56.501 59.847 -3.346 1
1 322 . 19 1 1 A 37 37 ARG HA H 37 4.207 4.065 0.142 1
1 323 . 19 1 1 A 37 37 ARG CB C 37 30.884 30.317 0.567 1
1 332 . 19 1 1 A 37 37 ARG C C 37 173.005 179.084 -6.079 1
1 333 . 19 1 1 A 38 38 GLU H H 38 8.371 8.295 0.076 1
1 334 . 19 1 1 A 38 38 GLU CA C 38 56.895 59.183 -2.288 1
1 335 . 19 1 1 A 38 38 GLU HA H 38 4.270 4.069 0.201 1
1 336 . 19 1 1 A 38 38 GLU CB C 38 30.001 29.648 0.353 1
1 342 . 19 1 1 A 39 39 ALA N N 39 121.133 121.919 -0.786 1
1 343 . 19 1 1 A 39 39 ALA H H 39 7.665 7.748 -0.083 1
1 344 . 19 1 1 A 39 39 ALA CA C 39 52.963 54.037 -1.074 1
1 345 . 19 1 1 A 39 39 ALA HA H 39 3.964 3.993 -0.029 1
1 346 . 19 1 1 A 39 39 ALA CB C 39 21.097 19.450 1.647 1
1 350 . 19 1 1 A 39 39 ALA C C 39 177.871 177.493 0.378 1
1 351 . 19 1 1 A 40 40 GLY N N 40 105.600 104.002 1.598 1
1 352 . 19 1 1 A 40 40 GLY H H 40 7.654 7.774 -0.120 1
1 353 . 19 1 1 A 40 40 GLY CA C 40 44.261 45.555 -1.294 1
1 354 . 19 1 1 A 40 40 GLY HA2 H 40 3.766 4.204 -0.438 1
1 355 . 19 1 1 A 40 40 GLY HA3 H 40 4.196 4.237 -0.041 1
1 356 . 19 1 1 A 40 40 GLY C C 40 172.824 171.961 0.863 1
1 357 . 19 1 1 A 41 41 ALA N N 41 122.720 124.554 -1.834 1
1 358 . 19 1 1 A 41 41 ALA H H 41 8.364 8.355 0.009 1
1 359 . 19 1 1 A 41 41 ALA CA C 41 52.502 51.920 0.582 1
1 360 . 19 1 1 A 41 41 ALA HA H 41 4.396 5.159 -0.763 1
1 361 . 19 1 1 A 41 41 ALA CB C 41 19.295 21.420 -2.125 1
1 365 . 19 1 1 A 41 41 ALA C C 41 178.393 175.811 2.582 1
1 366 . 19 1 1 A 42 42 GLY N N 42 109.713 109.187 0.526 1
1 367 . 19 1 1 A 42 42 GLY H H 42 8.194 8.538 -0.344 1
1 368 . 19 1 1 A 42 42 GLY CA C 42 45.853 46.053 -0.200 1
1 369 . 19 1 1 A 42 42 GLY HA2 H 42 3.616 4.147 -0.531 1
1 370 . 19 1 1 A 42 42 GLY HA3 H 42 3.761 4.268 -0.507 1
1 371 . 19 1 1 A 42 42 GLY C C 42 172.178 172.011 0.167 1
1 372 . 19 1 1 A 43 43 GLY N N 43 105.505 110.388 -4.883 1
1 373 . 19 1 1 A 43 43 GLY H H 43 7.422 8.427 -1.005 1
1 374 . 19 1 1 A 43 43 GLY CA C 43 44.382 44.315 0.067 1
1 375 . 19 1 1 A 43 43 GLY HA2 H 43 3.420 4.236 -0.816 1
1 376 . 19 1 1 A 43 43 GLY HA3 H 43 4.295 4.305 -0.010 1
1 377 . 19 1 1 A 43 43 GLY C C 43 172.885 171.963 0.922 1
1 378 . 19 1 1 A 44 44 LEU N N 44 125.007 124.384 0.623 1
1 379 . 19 1 1 A 44 44 LEU H H 44 8.525 8.841 -0.316 1
1 380 . 19 1 1 A 44 44 LEU CA C 44 53.589 53.155 0.434 1
1 381 . 19 1 1 A 44 44 LEU HA H 44 5.357 5.207 0.150 1
1 382 . 19 1 1 A 44 44 LEU CB C 44 45.602 45.446 0.156 1
1 395 . 19 1 1 A 44 44 LEU C C 44 177.034 176.130 0.904 1
1 396 . 19 1 1 A 45 45 SER N N 45 117.626 115.253 2.373 1
1 397 . 19 1 1 A 45 45 SER H H 45 9.010 9.028 -0.018 1
1 398 . 19 1 1 A 45 45 SER CA C 45 57.065 56.108 0.957 1
1 399 . 19 1 1 A 45 45 SER HA H 45 4.660 5.292 -0.632 1
1 400 . 19 1 1 A 45 45 SER CB C 45 65.309 66.318 -1.009 1
1 403 . 19 1 1 A 45 45 SER C C 45 172.724 173.621 -0.897 1
1 404 . 19 1 1 A 46 46 ILE N N 46 125.604 122.333 3.271 1
1 405 . 19 1 1 A 46 46 ILE H H 46 8.584 8.571 0.013 1
1 406 . 19 1 1 A 46 46 ILE CA C 46 59.369 60.323 -0.954 1
1 407 . 19 1 1 A 46 46 ILE HA H 46 5.182 4.859 0.323 1
1 408 . 19 1 1 A 46 46 ILE CB C 46 40.879 41.133 -0.254 1
1 421 . 19 1 1 A 46 46 ILE C C 46 174.318 174.469 -0.151 1
1 422 . 19 1 1 A 47 47 ALA N N 47 128.948 128.658 0.290 1
1 423 . 19 1 1 A 47 47 ALA H H 47 8.762 8.479 0.283 1
1 424 . 19 1 1 A 47 47 ALA CA C 47 51.123 51.029 0.094 1
1 425 . 19 1 1 A 47 47 ALA HA H 47 4.724 5.062 -0.338 1
1 426 . 19 1 1 A 47 47 ALA CB C 47 22.575 21.049 1.526 1
1 430 . 19 1 1 A 47 47 ALA C C 47 175.131 175.606 -0.475 1
1 431 . 19 1 1 A 48 48 VAL N N 48 121.512 123.989 -2.477 1
1 432 . 19 1 1 A 48 48 VAL H H 48 8.640 9.085 -0.445 1
1 433 . 19 1 1 A 48 48 VAL CA C 48 61.770 62.132 -0.362 1
1 434 . 19 1 1 A 48 48 VAL HA H 48 4.749 4.368 0.381 1
1 435 . 19 1 1 A 48 48 VAL CB C 48 33.642 31.335 2.307 1
1 445 . 19 1 1 A 48 48 VAL C C 48 174.870 175.084 -0.214 1
1 446 . 19 1 1 A 49 49 GLU N N 49 126.757 126.819 -0.062 1
1 447 . 19 1 1 A 49 49 GLU H H 49 8.898 8.795 0.103 1
1 448 . 19 1 1 A 49 49 GLU CA C 49 54.457 54.797 -0.340 1
1 449 . 19 1 1 A 49 49 GLU HA H 49 5.003 5.158 -0.155 1
1 450 . 19 1 1 A 49 49 GLU CB C 49 33.209 31.848 1.361 1
1 456 . 19 1 1 A 49 49 GLU C C 49 175.282 176.100 -0.818 1
1 457 . 19 1 1 A 50 50 GLY N N 50 112.668 111.420 1.248 1
1 458 . 19 1 1 A 50 50 GLY H H 50 8.563 8.529 0.034 1
1 459 . 19 1 1 A 50 50 GLY CA C 50 45.534 44.579 0.955 1
1 460 . 19 1 1 A 50 50 GLY HA2 H 50 3.481 3.643 -0.162 1
1 461 . 19 1 1 A 50 50 GLY HA3 H 50 3.836 4.025 -0.189 1
1 462 . 19 1 1 A 50 50 GLY C C 50 171.670 174.070 -2.400 1
1 463 . 19 1 1 A 51 51 PRO CA C 51 64.371 63.927 0.444 1
1 464 . 19 1 1 A 51 51 PRO HA H 51 4.309 4.397 -0.088 1
1 465 . 19 1 1 A 51 51 PRO CB C 51 32.183 31.826 0.357 1
1 474 . 19 1 1 A 51 51 PRO C C 51 175.938 175.794 0.144 1
1 475 . 19 1 1 A 52 52 SER N N 52 109.776 111.687 -1.911 1
1 476 . 19 1 1 A 52 52 SER H H 52 7.281 7.347 -0.066 1
1 477 . 19 1 1 A 52 52 SER CA C 52 56.747 56.072 0.675 1
1 478 . 19 1 1 A 52 52 SER HA H 52 4.688 4.656 0.032 1
1 479 . 19 1 1 A 52 52 SER CB C 52 65.901 65.821 0.080 1
1 482 . 19 1 1 A 52 52 SER C C 52 172.748 172.327 0.421 1
1 483 . 19 1 1 A 53 53 LYS N N 53 121.441 123.460 -2.019 1
1 484 . 19 1 1 A 53 53 LYS H H 53 8.607 8.387 0.220 1
1 485 . 19 1 1 A 53 53 LYS CA C 53 56.641 56.512 0.129 1
1 486 . 19 1 1 A 53 53 LYS HA H 53 4.391 4.597 -0.206 1
1 487 . 19 1 1 A 53 53 LYS CB C 53 32.323 33.484 -1.161 1
1 499 . 19 1 1 A 53 53 LYS C C 53 175.721 175.493 0.228 1
1 500 . 19 1 1 A 54 54 ALA N N 54 129.914 128.171 1.743 1
1 501 . 19 1 1 A 54 54 ALA H H 54 8.941 8.616 0.325 1
1 502 . 19 1 1 A 54 54 ALA CA C 54 50.924 50.505 0.419 1
1 503 . 19 1 1 A 54 54 ALA HA H 54 4.962 5.316 -0.354 1
1 504 . 19 1 1 A 54 54 ALA CB C 54 20.004 22.467 -2.463 1
1 508 . 19 1 1 A 54 54 ALA C C 54 176.618 175.327 1.291 1
1 509 . 19 1 1 A 55 55 GLU N N 55 122.179 122.364 -0.185 1
1 510 . 19 1 1 A 55 55 GLU H H 55 8.153 8.905 -0.752 1
1 511 . 19 1 1 A 55 55 GLU CA C 55 55.689 56.617 -0.928 1
1 512 . 19 1 1 A 55 55 GLU HA H 55 4.569 4.609 -0.040 1
1 513 . 19 1 1 A 55 55 GLU CB C 55 31.003 30.700 0.303 1
1 519 . 19 1 1 A 55 55 GLU C C 55 176.867 175.504 1.363 1
1 520 . 19 1 1 A 56 56 ILE N N 56 127.733 126.083 1.650 1
1 521 . 19 1 1 A 56 56 ILE H H 56 8.948 8.693 0.255 1
1 522 . 19 1 1 A 56 56 ILE CA C 56 61.345 60.384 0.961 1
1 523 . 19 1 1 A 56 56 ILE HA H 56 4.744 5.164 -0.420 1
1 524 . 19 1 1 A 56 56 ILE CB C 56 40.978 42.110 -1.132 1
1 537 . 19 1 1 A 56 56 ILE C C 56 175.675 174.744 0.931 1
1 538 . 19 1 1 A 57 57 THR N N 57 124.172 123.969 0.203 1
1 539 . 19 1 1 A 57 57 THR H H 57 9.410 9.185 0.225 1
1 540 . 19 1 1 A 57 57 THR CA C 57 61.999 62.017 -0.018 1
1 541 . 19 1 1 A 57 57 THR HA H 57 4.504 4.817 -0.313 1
1 542 . 19 1 1 A 57 57 THR CB C 57 70.660 69.611 1.049 1
1 548 . 19 1 1 A 57 57 THR C C 57 172.131 173.009 -0.878 1
1 549 . 19 1 1 A 58 58 PHE N N 58 126.429 128.142 -1.713 1
1 550 . 19 1 1 A 58 58 PHE H H 58 8.796 9.023 -0.227 1
1 551 . 19 1 1 A 58 58 PHE CA C 58 56.680 55.818 0.862 1
1 552 . 19 1 1 A 58 58 PHE HA H 58 4.981 5.329 -0.348 1
1 553 . 19 1 1 A 58 58 PHE CB C 58 42.400 41.543 0.857 1
1 566 . 19 1 1 A 58 58 PHE C C 58 173.719 173.283 0.436 1
1 567 . 19 1 1 A 59 59 ASP N N 59 126.210 126.752 -0.542 1
1 568 . 19 1 1 A 59 59 ASP H H 59 8.707 8.739 -0.032 1
1 569 . 19 1 1 A 59 59 ASP CA C 59 52.784 53.086 -0.302 1
1 570 . 19 1 1 A 59 59 ASP HA H 59 4.677 5.153 -0.476 1
1 571 . 19 1 1 A 59 59 ASP CB C 59 42.738 43.439 -0.701 1
1 574 . 19 1 1 A 59 59 ASP C C 59 173.710 173.826 -0.116 1
1 575 . 19 1 1 A 60 60 ASP N N 60 123.675 125.250 -1.575 1
1 576 . 19 1 1 A 60 60 ASP H H 60 8.490 8.823 -0.333 1
1 577 . 19 1 1 A 60 60 ASP CA C 60 53.871 52.623 1.248 1
1 578 . 19 1 1 A 60 60 ASP HA H 60 4.447 4.914 -0.467 1
1 579 . 19 1 1 A 60 60 ASP CB C 60 41.108 41.580 -0.472 1
1 582 . 19 1 1 A 60 60 ASP C C 60 176.691 174.303 2.388 1
1 583 . 19 1 1 A 61 61 HIS N N 61 124.385 126.206 -1.821 1
1 584 . 19 1 1 A 61 61 HIS H H 61 8.122 8.914 -0.792 1
1 585 . 19 1 1 A 61 61 HIS CA C 61 55.608 54.221 1.387 1
1 586 . 19 1 1 A 61 61 HIS HA H 61 4.769 4.964 -0.195 1
1 587 . 19 1 1 A 61 61 HIS CB C 61 28.607 31.896 -3.289 1
1 594 . 19 1 1 A 61 61 HIS C C 61 175.701 175.746 -0.045 1
1 595 . 19 1 1 A 62 62 LYS N N 62 115.195 125.113 -9.918 1
1 596 . 19 1 1 A 62 62 LYS H H 62 9.178 7.996 1.182 1
1 597 . 19 1 1 A 62 62 LYS CA C 62 57.585 59.261 -1.676 1
1 598 . 19 1 1 A 62 62 LYS HA H 62 4.028 3.802 0.226 1
1 599 . 19 1 1 A 62 62 LYS CB C 62 29.373 32.399 -3.026 1
1 611 . 19 1 1 A 63 63 ASN N N 63 116.167 112.688 3.479 1
1 612 . 19 1 1 A 63 63 ASN H H 63 7.900 8.016 -0.116 1
1 613 . 19 1 1 A 63 63 ASN CA C 63 52.056 51.838 0.218 1
1 614 . 19 1 1 A 63 63 ASN HA H 63 4.835 4.827 0.008 1
1 615 . 19 1 1 A 63 63 ASN CB C 63 38.468 38.373 0.095 1
1 621 . 19 1 1 A 63 63 ASN C C 63 176.634 175.400 1.234 1
1 622 . 19 1 1 A 64 64 GLY N N 64 108.877 108.552 0.325 1
1 623 . 19 1 1 A 64 64 GLY H H 64 8.718 7.711 1.007 1
1 624 . 19 1 1 A 64 64 GLY CA C 64 45.534 45.844 -0.310 1
1 625 . 19 1 1 A 64 64 GLY HA2 H 64 3.619 4.145 -0.526 1
1 626 . 19 1 1 A 64 64 GLY HA3 H 64 4.247 4.162 0.085 1
1 627 . 19 1 1 A 65 65 SER N N 65 115.229 117.290 -2.061 1
1 628 . 19 1 1 A 65 65 SER H H 65 7.962 8.185 -0.223 1
1 629 . 19 1 1 A 65 65 SER CA C 65 57.108 56.880 0.228 1
1 630 . 19 1 1 A 65 65 SER HA H 65 5.531 4.643 0.888 1
1 631 . 19 1 1 A 65 65 SER CB C 65 67.290 62.582 4.708 1
1 634 . 19 1 1 A 66 66 CYS N N 66 118.007 126.713 -8.706 1
1 635 . 19 1 1 A 66 66 CYS H H 66 8.807 7.954 0.853 1
1 636 . 19 1 1 A 66 66 CYS CA C 66 56.476 60.649 -4.173 1
1 637 . 19 1 1 A 66 66 CYS HA H 66 4.672 4.212 0.460 1
1 638 . 19 1 1 A 66 66 CYS CB C 66 31.077 28.390 2.687 1
1 641 . 19 1 1 A 67 67 GLY N N 67 112.448 108.565 3.883 1
1 642 . 19 1 1 A 67 67 GLY H H 67 8.679 7.603 1.076 1
1 643 . 19 1 1 A 67 67 GLY CA C 67 45.004 44.205 0.799 1
1 644 . 19 1 1 A 67 67 GLY HA2 H 67 3.629 4.097 -0.468 1
1 645 . 19 1 1 A 67 67 GLY HA3 H 67 4.645 4.102 0.543 1
1 646 . 19 1 1 A 67 67 GLY C C 67 171.754 172.761 -1.007 1
1 647 . 19 1 1 A 68 68 VAL N N 68 123.840 121.879 1.961 1
1 648 . 19 1 1 A 68 68 VAL H H 68 8.486 8.117 0.369 1
1 649 . 19 1 1 A 68 68 VAL CA C 68 60.143 60.990 -0.847 1
1 650 . 19 1 1 A 68 68 VAL HA H 68 4.579 4.772 -0.193 1
1 651 . 19 1 1 A 68 68 VAL CB C 68 33.946 34.196 -0.250 1
1 661 . 19 1 1 A 68 68 VAL C C 68 174.396 174.627 -0.231 1
1 662 . 19 1 1 A 69 69 SER N N 69 119.414 122.802 -3.388 1
1 663 . 19 1 1 A 69 69 SER H H 69 8.450 8.345 0.105 1
1 664 . 19 1 1 A 69 69 SER CA C 69 56.169 56.706 -0.537 1
1 665 . 19 1 1 A 69 69 SER HA H 69 5.442 5.570 -0.128 1
1 666 . 19 1 1 A 69 69 SER CB C 69 65.640 65.911 -0.271 1
1 669 . 19 1 1 A 69 69 SER C C 69 173.189 172.972 0.217 1
1 670 . 19 1 1 A 70 70 TYR N N 70 119.504 119.865 -0.361 1
1 671 . 19 1 1 A 70 70 TYR H H 70 8.771 8.532 0.239 1
1 672 . 19 1 1 A 70 70 TYR CA C 70 54.962 56.227 -1.265 1
1 673 . 19 1 1 A 70 70 TYR HA H 70 5.922 5.671 0.251 1
1 674 . 19 1 1 A 70 70 TYR CB C 70 42.710 41.568 1.142 1
1 685 . 19 1 1 A 70 70 TYR C C 70 173.056 172.499 0.557 1
1 686 . 19 1 1 A 71 71 ILE N N 71 117.727 122.459 -4.732 1
1 687 . 19 1 1 A 71 71 ILE H H 71 8.196 8.757 -0.561 1
1 688 . 19 1 1 A 71 71 ILE CA C 71 60.132 59.577 0.555 1
1 689 . 19 1 1 A 71 71 ILE HA H 71 4.161 4.796 -0.635 1
1 690 . 19 1 1 A 71 71 ILE CB C 71 40.790 41.083 -0.293 1
1 703 . 19 1 1 A 71 71 ILE C C 71 175.114 174.999 0.115 1
1 704 . 19 1 1 A 72 72 ALA N N 72 133.145 128.646 4.499 1
1 705 . 19 1 1 A 72 72 ALA H H 72 9.466 8.339 1.127 1
1 706 . 19 1 1 A 72 72 ALA CA C 72 50.261 50.434 -0.173 1
1 707 . 19 1 1 A 72 72 ALA HA H 72 4.567 4.613 -0.046 1
1 708 . 19 1 1 A 72 72 ALA CB C 72 19.699 19.769 -0.070 1
1 712 . 19 1 1 A 72 72 ALA C C 72 177.170 177.814 -0.644 1
1 713 . 19 1 1 A 73 73 GLN N N 73 120.464 124.500 -4.036 1
1 714 . 19 1 1 A 73 73 GLN H H 73 8.649 8.665 -0.016 1
1 715 . 19 1 1 A 73 73 GLN CA C 73 57.614 59.508 -1.894 1
1 716 . 19 1 1 A 73 73 GLN HA H 73 4.083 4.028 0.055 1
1 717 . 19 1 1 A 73 73 GLN CB C 73 29.667 28.689 0.978 1
1 726 . 19 1 1 A 73 73 GLN C C 73 175.643 176.633 -0.990 1
1 727 . 19 1 1 A 74 74 GLU N N 74 114.557 118.107 -3.550 1
1 728 . 19 1 1 A 74 74 GLU H H 74 7.102 8.266 -1.164 1
1 729 . 19 1 1 A 74 74 GLU CA C 74 52.242 53.142 -0.900 1
1 730 . 19 1 1 A 74 74 GLU HA H 74 4.988 4.728 0.260 1
1 731 . 19 1 1 A 74 74 GLU CB C 74 31.732 30.462 1.270 1
1 737 . 19 1 1 A 74 74 GLU C C 74 174.462 174.118 0.344 1
1 738 . 19 1 1 A 75 75 PRO CA C 75 63.007 63.252 -0.245 1
1 739 . 19 1 1 A 75 75 PRO HA H 75 4.335 4.724 -0.389 1
1 740 . 19 1 1 A 75 75 PRO CB C 75 32.866 32.869 -0.003 1
1 749 . 19 1 1 A 75 75 PRO C C 75 174.572 175.902 -1.330 1
1 750 . 19 1 1 A 76 76 GLY N N 76 107.234 107.630 -0.396 1
1 751 . 19 1 1 A 76 76 GLY H H 76 9.012 8.517 0.495 1
1 752 . 19 1 1 A 76 76 GLY CA C 76 44.615 45.207 -0.592 1
1 753 . 19 1 1 A 76 76 GLY HA2 H 76 3.850 4.151 -0.301 1
1 754 . 19 1 1 A 76 76 GLY HA3 H 76 4.201 4.202 -0.001 1
1 755 . 19 1 1 A 76 76 GLY C C 76 171.133 172.776 -1.643 1
1 756 . 19 1 1 A 77 77 ASN N N 77 119.292 117.240 2.052 1
1 757 . 19 1 1 A 77 77 ASN H H 77 8.549 8.571 -0.022 1
1 758 . 19 1 1 A 77 77 ASN CA C 77 52.364 52.036 0.328 1
1 759 . 19 1 1 A 77 77 ASN HA H 77 5.369 5.238 0.131 1
1 760 . 19 1 1 A 77 77 ASN CB C 77 39.176 38.592 0.584 1
1 766 . 19 1 1 A 77 77 ASN C C 77 174.470 173.824 0.646 1
1 767 . 19 1 1 A 78 78 TYR N N 78 123.809 124.724 -0.915 1
1 768 . 19 1 1 A 78 78 TYR H H 78 9.094 8.916 0.178 1
1 769 . 19 1 1 A 78 78 TYR CA C 78 56.818 57.831 -1.013 1
1 770 . 19 1 1 A 78 78 TYR HA H 78 4.859 4.891 -0.032 1
1 771 . 19 1 1 A 78 78 TYR CB C 78 39.860 39.842 0.018 1
1 782 . 19 1 1 A 78 78 TYR C C 78 174.184 174.871 -0.687 1
1 783 . 19 1 1 A 79 79 GLU N N 79 122.250 125.201 -2.951 1
1 784 . 19 1 1 A 79 79 GLU H H 79 9.259 8.941 0.318 1
1 785 . 19 1 1 A 79 79 GLU CA C 79 54.692 55.216 -0.524 1
1 786 . 19 1 1 A 79 79 GLU HA H 79 5.313 5.178 0.135 1
1 787 . 19 1 1 A 79 79 GLU CB C 79 32.159 30.851 1.308 1
1 793 . 19 1 1 A 79 79 GLU C C 79 176.631 174.883 1.748 1
1 794 . 19 1 1 A 80 80 VAL N N 80 131.418 127.454 3.964 1
1 795 . 19 1 1 A 80 80 VAL H H 80 9.761 8.477 1.284 1
1 796 . 19 1 1 A 80 80 VAL CA C 80 61.522 62.340 -0.818 1
1 797 . 19 1 1 A 80 80 VAL HA H 80 4.801 4.639 0.162 1
1 798 . 19 1 1 A 80 80 VAL CB C 80 32.818 31.936 0.882 1
1 808 . 19 1 1 A 80 80 VAL C C 80 175.573 174.954 0.619 1
1 809 . 19 1 1 A 81 81 SER N N 81 123.238 122.691 0.547 1
1 810 . 19 1 1 A 81 81 SER H H 81 9.457 9.178 0.279 1
1 811 . 19 1 1 A 81 81 SER CA C 81 57.589 56.785 0.804 1
1 812 . 19 1 1 A 81 81 SER HA H 81 5.167 5.028 0.139 1
1 813 . 19 1 1 A 81 81 SER CB C 81 64.882 64.357 0.525 1
1 816 . 19 1 1 A 81 81 SER C C 81 173.514 173.671 -0.157 1
1 817 . 19 1 1 A 82 82 ILE N N 82 126.261 128.792 -2.531 1
1 818 . 19 1 1 A 82 82 ILE H H 82 9.642 9.222 0.420 1
1 819 . 19 1 1 A 82 82 ILE CA C 82 60.992 59.828 1.164 1
1 820 . 19 1 1 A 82 82 ILE HA H 82 4.667 5.130 -0.463 1
1 821 . 19 1 1 A 82 82 ILE CB C 82 40.692 40.781 -0.089 1
1 834 . 19 1 1 A 82 82 ILE C C 82 173.498 175.400 -1.902 1
1 835 . 19 1 1 A 83 83 LYS N N 83 123.477 125.835 -2.358 1
1 836 . 19 1 1 A 83 83 LYS H H 83 8.720 8.762 -0.042 1
1 837 . 19 1 1 A 83 83 LYS CA C 83 53.730 54.776 -1.046 1
1 838 . 19 1 1 A 83 83 LYS HA H 83 5.139 5.291 -0.152 1
1 839 . 19 1 1 A 83 83 LYS CB C 83 36.351 34.844 1.507 1
1 851 . 19 1 1 A 83 83 LYS C C 83 174.914 174.648 0.266 1
1 852 . 19 1 1 A 84 84 PHE N N 84 122.298 126.224 -3.926 1
1 853 . 19 1 1 A 84 84 PHE H H 84 9.154 8.879 0.275 1
1 854 . 19 1 1 A 84 84 PHE CA C 84 56.057 57.348 -1.291 1
1 855 . 19 1 1 A 84 84 PHE HA H 84 5.238 4.796 0.442 1
1 856 . 19 1 1 A 84 84 PHE CB C 84 43.136 40.455 2.681 1
1 867 . 19 1 1 A 84 84 PHE C C 84 175.864 174.953 0.911 1
1 868 . 19 1 1 A 85 85 ASN N N 85 127.936 125.207 2.729 1
1 869 . 19 1 1 A 85 85 ASN H H 85 9.040 8.957 0.083 1
1 870 . 19 1 1 A 85 85 ASN CA C 85 54.448 54.444 0.004 1
1 871 . 19 1 1 A 85 85 ASN HA H 85 4.206 4.188 0.018 1
1 872 . 19 1 1 A 85 85 ASN CB C 85 36.554 36.686 -0.132 1
1 878 . 19 1 1 A 85 85 ASN C C 85 174.620 174.126 0.494 1
1 879 . 19 1 1 A 86 86 ASP N N 86 108.763 109.995 -1.232 1
1 880 . 19 1 1 A 86 86 ASP H H 86 8.828 8.422 0.406 1
1 881 . 19 1 1 A 86 86 ASP CA C 86 56.405 55.580 0.825 1
1 882 . 19 1 1 A 86 86 ASP HA H 86 3.946 4.152 -0.206 1
1 883 . 19 1 1 A 86 86 ASP CB C 86 40.367 39.053 1.314 1
1 886 . 19 1 1 A 86 86 ASP C C 86 174.169 174.552 -0.383 1
1 887 . 19 1 1 A 87 87 GLU N N 87 119.289 117.164 2.125 1
1 888 . 19 1 1 A 87 87 GLU H H 87 7.510 7.596 -0.086 1
1 889 . 19 1 1 A 87 87 GLU CA C 87 54.483 54.825 -0.342 1
1 890 . 19 1 1 A 87 87 GLU HA H 87 4.743 4.861 -0.118 1
1 891 . 19 1 1 A 87 87 GLU CB C 87 32.763 33.510 -0.747 1
1 897 . 19 1 1 A 87 87 GLU C C 87 175.825 175.355 0.470 1
1 898 . 19 1 1 A 88 88 HIS N N 88 123.465 120.621 2.844 1
1 899 . 19 1 1 A 88 88 HIS H H 88 8.822 9.109 -0.287 1
1 900 . 19 1 1 A 88 88 HIS CA C 88 59.117 55.494 3.623 1
1 901 . 19 1 1 A 88 88 HIS HA H 88 4.511 4.880 -0.369 1
1 902 . 19 1 1 A 88 88 HIS CB C 88 32.254 28.612 3.642 1
1 909 . 19 1 1 A 88 88 HIS C C 88 177.352 175.190 2.162 1
1 910 . 19 1 1 A 89 89 ILE N N 89 117.945 123.551 -5.606 1
1 911 . 19 1 1 A 89 89 ILE H H 89 8.131 8.497 -0.366 1
1 912 . 19 1 1 A 89 89 ILE CA C 89 61.121 60.164 0.957 1
1 913 . 19 1 1 A 89 89 ILE HA H 89 4.519 4.256 0.263 1
1 914 . 19 1 1 A 89 89 ILE CB C 89 35.538 37.698 -2.160 1
1 927 . 19 1 1 A 89 89 ILE C C 89 173.831 176.484 -2.653 1
1 928 . 19 1 1 A 90 90 PRO CA C 90 66.545 64.314 2.231 1
1 929 . 19 1 1 A 90 90 PRO HA H 90 4.223 4.528 -0.305 1
1 930 . 19 1 1 A 90 90 PRO CB C 90 31.693 31.675 0.018 1
1 939 . 19 1 1 A 90 90 PRO C C 90 177.046 176.393 0.653 1
1 940 . 19 1 1 A 91 91 GLU N N 91 113.835 117.041 -3.206 1
1 941 . 19 1 1 A 91 91 GLU H H 91 8.223 8.136 0.087 1
1 942 . 19 1 1 A 91 91 GLU CA C 91 57.913 56.339 1.574 1
1 943 . 19 1 1 A 91 91 GLU HA H 91 3.733 4.368 -0.635 1
1 944 . 19 1 1 A 91 91 GLU CB C 91 27.681 31.310 -3.629 1
1 950 . 19 1 1 A 91 91 GLU C C 91 173.469 175.657 -2.188 1
1 951 . 19 1 1 A 92 92 SER N N 92 111.462 112.948 -1.486 1
1 952 . 19 1 1 A 92 92 SER H H 92 7.489 7.445 0.044 1
1 953 . 19 1 1 A 92 92 SER CA C 92 54.873 55.045 -0.172 1
1 954 . 19 1 1 A 92 92 SER HA H 92 4.427 4.409 0.018 1
1 955 . 19 1 1 A 92 92 SER CB C 92 63.317 64.394 -1.077 1
1 958 . 19 1 1 A 92 92 SER C C 92 174.195 172.597 1.598 1
1 959 . 19 1 1 A 93 93 PRO CA C 93 62.333 62.505 -0.172 1
1 960 . 19 1 1 A 93 93 PRO HA H 93 5.483 4.654 0.829 1
1 961 . 19 1 1 A 93 93 PRO CB C 93 34.386 32.489 1.897 1
1 970 . 19 1 1 A 93 93 PRO C C 93 176.059 174.851 1.208 1
1 971 . 19 1 1 A 94 94 TYR N N 94 122.179 119.416 2.763 1
1 972 . 19 1 1 A 94 94 TYR H H 94 9.372 8.983 0.389 1
1 973 . 19 1 1 A 94 94 TYR CA C 94 57.101 57.265 -0.164 1
1 974 . 19 1 1 A 94 94 TYR HA H 94 4.531 5.142 -0.611 1
1 975 . 19 1 1 A 94 94 TYR CB C 94 40.027 41.366 -1.339 1
1 986 . 19 1 1 A 94 94 TYR C C 94 175.281 174.418 0.863 1
1 987 . 19 1 1 A 95 95 LEU N N 95 126.428 124.230 2.198 1
1 988 . 19 1 1 A 95 95 LEU H H 95 8.807 8.712 0.095 1
1 989 . 19 1 1 A 95 95 LEU CA C 95 54.200 53.768 0.432 1
1 990 . 19 1 1 A 95 95 LEU HA H 95 4.981 5.138 -0.157 1
1 991 . 19 1 1 A 95 95 LEU CB C 95 41.894 44.427 -2.533 1
1 1004 . 19 1 1 A 95 95 LEU C C 95 176.295 174.587 1.708 1
1 1005 . 19 1 1 A 96 96 VAL N N 96 130.944 127.536 3.408 1
1 1006 . 19 1 1 A 96 96 VAL H H 96 9.629 8.986 0.643 1
1 1007 . 19 1 1 A 96 96 VAL CA C 96 59.813 59.270 0.543 1
1 1008 . 19 1 1 A 96 96 VAL HA H 96 4.469 4.581 -0.112 1
1 1009 . 19 1 1 A 96 96 VAL CB C 96 35.052 33.063 1.989 1
1 1019 . 19 1 1 A 96 96 VAL C C 96 173.734 174.740 -1.006 1
1 1020 . 19 1 1 A 97 97 PRO CA C 97 62.379 62.370 0.009 1
1 1021 . 19 1 1 A 97 97 PRO HA H 97 5.016 4.788 0.228 1
1 1022 . 19 1 1 A 97 97 PRO CB C 97 32.163 30.108 2.055 1
1 1031 . 19 1 1 A 97 97 PRO C C 97 175.950 176.309 -0.359 1
1 1032 . 19 1 1 A 98 98 VAL N N 98 125.524 123.828 1.696 1
1 1033 . 19 1 1 A 98 98 VAL H H 98 9.196 8.816 0.380 1
1 1034 . 19 1 1 A 98 98 VAL CA C 98 61.345 62.888 -1.543 1
1 1035 . 19 1 1 A 98 98 VAL HA H 98 4.411 4.360 0.051 1
1 1036 . 19 1 1 A 98 98 VAL CB C 98 32.037 32.005 0.032 1
1 1046 . 19 1 1 A 98 98 VAL C C 98 176.996 176.077 0.919 1
1 1047 . 19 1 1 A 99 99 ILE N N 99 124.035 122.597 1.438 1
1 1048 . 19 1 1 A 99 99 ILE H H 99 8.392 8.481 -0.089 1
1 1049 . 19 1 1 A 99 99 ILE CA C 99 59.802 58.837 0.965 1
1 1050 . 19 1 1 A 99 99 ILE HA H 99 4.651 5.032 -0.381 1
1 1051 . 19 1 1 A 99 99 ILE CB C 99 40.609 41.951 -1.342 1
1 1064 . 19 1 1 A 99 99 ILE C C 99 175.482 174.549 0.933 1
1 1065 . 19 1 1 A 100 100 ALA N N 100 125.837 125.248 0.589 1
1 1066 . 19 1 1 A 100 100 ALA H H 100 8.714 8.557 0.157 1
1 1067 . 19 1 1 A 100 100 ALA CA C 100 50.416 50.158 0.258 1
1 1068 . 19 1 1 A 100 100 ALA HA H 100 4.603 4.479 0.124 1
1 1069 . 19 1 1 A 100 100 ALA CB C 100 18.088 19.700 -1.612 1
1 1073 . 19 1 1 A 100 100 ALA C C 100 175.264 176.295 -1.031 1
1 1074 . 19 1 1 A 101 101 PRO CA C 101 63.104 62.892 0.212 1
1 1075 . 19 1 1 A 101 101 PRO HA H 101 4.483 4.541 -0.058 1
1 1076 . 19 1 1 A 101 101 PRO CB C 101 32.222 31.969 0.253 1
1 1085 . 19 1 1 A 101 101 PRO C C 101 176.976 176.988 -0.012 1
1 1086 . 19 1 1 A 102 102 SER N N 102 116.530 119.715 -3.185 1
1 1087 . 19 1 1 A 102 102 SER H H 102 8.527 8.402 0.125 1
1 1088 . 19 1 1 A 102 102 SER CA C 102 58.283 59.989 -1.706 1
1 1089 . 19 1 1 A 102 102 SER HA H 102 4.433 4.464 -0.031 1
1 1090 . 19 1 1 A 102 102 SER CB C 102 64.078 63.002 1.076 1
1 1093 . 19 1 1 A 102 102 SER C C 102 174.510 173.883 0.627 1
1 1094 . 19 1 1 A 103 103 ASP N N 103 123.018 126.905 -3.887 1
1 1095 . 19 1 1 A 103 103 ASP H H 103 8.450 8.769 -0.319 1
1 1096 . 19 1 1 A 103 103 ASP CA C 103 54.431 53.092 1.339 1
1 1097 . 19 1 1 A 103 103 ASP HA H 103 4.654 4.938 -0.284 1
1 1098 . 19 1 1 A 103 103 ASP CB C 103 41.226 41.943 -0.717 1
1 1101 . 19 1 1 A 103 103 ASP C C 103 175.889 176.047 -0.158 1
1 1102 . 19 1 1 A 104 104 ASP N N 104 120.896 122.171 -1.275 1
1 1103 . 19 1 1 A 104 104 ASP H H 104 8.264 8.886 -0.622 1
1 1104 . 19 1 1 A 104 104 ASP CA C 104 54.283 56.349 -2.066 1
1 1105 . 19 1 1 A 104 104 ASP HA H 104 4.601 4.578 0.023 1
1 1106 . 19 1 1 A 104 104 ASP CB C 104 41.183 41.358 -0.175 1
1 1109 . 19 1 1 A 104 104 ASP C C 104 175.065 176.392 -1.327 1
1 1 . 20 1 1 A 7 7 GLY N N 7 110.767 111.872 -1.105 1
1 2 . 20 1 1 A 7 7 GLY H H 7 8.421 8.531 -0.110 1
1 3 . 20 1 1 A 7 7 GLY CA C 7 45.393 45.552 -0.159 1
1 4 . 20 1 1 A 7 7 GLY HA2 H 7 4.003 4.348 -0.345 1
1 5 . 20 1 1 A 7 7 GLY HA3 H 7 4.003 4.359 -0.356 1
1 6 . 20 1 1 A 7 7 GLY C C 7 174.160 174.689 -0.529 1
1 7 . 20 1 1 A 8 8 GLU N N 8 120.419 120.997 -0.578 1
1 8 . 20 1 1 A 8 8 GLU H H 8 8.320 8.869 -0.549 1
1 9 . 20 1 1 A 8 8 GLU CA C 8 56.499 58.701 -2.202 1
1 10 . 20 1 1 A 8 8 GLU HA H 8 4.390 4.188 0.202 1
1 11 . 20 1 1 A 8 8 GLU CB C 8 30.615 30.596 0.019 1
1 17 . 20 1 1 A 8 8 GLU C C 8 176.858 176.962 -0.104 1
1 18 . 20 1 1 A 9 9 GLY N N 9 109.731 103.808 5.923 1
1 19 . 20 1 1 A 9 9 GLY H H 9 8.522 7.466 1.056 1
1 20 . 20 1 1 A 9 9 GLY CA C 9 45.110 45.838 -0.728 1
1 21 . 20 1 1 A 9 9 GLY HA2 H 9 4.090 4.039 0.051 1
1 22 . 20 1 1 A 9 9 GLY HA3 H 9 3.931 4.123 -0.192 1
1 23 . 20 1 1 A 9 9 GLY C C 9 173.933 171.763 2.170 1
1 24 . 20 1 1 A 10 10 GLY N N 10 107.139 109.641 -2.502 1
1 25 . 20 1 1 A 10 10 GLY H H 10 8.393 8.102 0.291 1
1 26 . 20 1 1 A 10 10 GLY CA C 10 45.039 46.341 -1.302 1
1 27 . 20 1 1 A 10 10 GLY HA2 H 10 3.868 4.428 -0.560 1
1 28 . 20 1 1 A 10 10 GLY HA3 H 10 4.528 4.434 0.094 1
1 29 . 20 1 1 A 10 10 GLY C C 10 174.561 173.761 0.800 1
1 30 . 20 1 1 A 11 11 ALA N N 11 122.466 126.040 -3.574 1
1 31 . 20 1 1 A 11 11 ALA H H 11 8.875 8.778 0.097 1
1 32 . 20 1 1 A 11 11 ALA CA C 11 55.391 54.844 0.547 1
1 33 . 20 1 1 A 11 11 ALA HA H 11 3.803 4.019 -0.216 1
1 34 . 20 1 1 A 11 11 ALA CB C 11 19.583 19.030 0.553 1
1 38 . 20 1 1 A 11 11 ALA C C 11 178.242 180.136 -1.894 1
1 39 . 20 1 1 A 12 12 HIS N N 12 111.513 115.557 -4.044 1
1 40 . 20 1 1 A 12 12 HIS H H 12 8.290 8.568 -0.278 1
1 41 . 20 1 1 A 12 12 HIS CA C 12 57.847 58.884 -1.037 1
1 42 . 20 1 1 A 12 12 HIS HA H 12 4.443 4.340 0.103 1
1 43 . 20 1 1 A 12 12 HIS CB C 12 29.321 28.684 0.637 1
1 50 . 20 1 1 A 12 12 HIS C C 12 176.189 176.110 0.079 1
1 51 . 20 1 1 A 13 13 LYS N N 13 118.111 117.722 0.389 1
1 52 . 20 1 1 A 13 13 LYS H H 13 7.558 6.989 0.569 1
1 53 . 20 1 1 A 13 13 LYS CA C 13 54.660 55.612 -0.952 1
1 54 . 20 1 1 A 13 13 LYS HA H 13 4.202 4.020 0.182 1
1 55 . 20 1 1 A 13 13 LYS CB C 13 32.655 32.335 0.320 1
1 67 . 20 1 1 A 13 13 LYS C C 13 176.721 174.716 2.005 1
1 68 . 20 1 1 A 14 14 VAL N N 14 123.625 119.895 3.730 1
1 69 . 20 1 1 A 14 14 VAL H H 14 7.499 7.492 0.007 1
1 70 . 20 1 1 A 14 14 VAL CA C 14 63.247 60.739 2.508 1
1 71 . 20 1 1 A 14 14 VAL HA H 14 3.907 4.485 -0.578 1
1 72 . 20 1 1 A 14 14 VAL CB C 14 31.649 34.316 -2.667 1
1 82 . 20 1 1 A 15 15 ARG H H 15 8.106 9.102 -0.996 1
1 83 . 20 1 1 A 15 15 ARG CA C 15 53.791 54.016 -0.225 1
1 84 . 20 1 1 A 15 15 ARG HA H 15 5.021 5.257 -0.236 1
1 85 . 20 1 1 A 15 15 ARG CB C 15 34.207 34.130 0.077 1
1 94 . 20 1 1 A 16 16 ALA N N 16 123.795 127.753 -3.958 1
1 95 . 20 1 1 A 16 16 ALA H H 16 8.875 8.538 0.337 1
1 96 . 20 1 1 A 16 16 ALA CA C 16 51.092 50.497 0.595 1
1 97 . 20 1 1 A 16 16 ALA HA H 16 5.569 5.462 0.107 1
1 98 . 20 1 1 A 16 16 ALA CB C 16 23.845 22.877 0.968 1
1 102 . 20 1 1 A 17 17 GLY N N 17 106.516 106.124 0.392 1
1 103 . 20 1 1 A 17 17 GLY H H 17 8.616 8.467 0.149 1
1 104 . 20 1 1 A 17 17 GLY CA C 17 46.205 45.982 0.223 1
1 105 . 20 1 1 A 17 17 GLY HA2 H 17 4.289 4.181 0.108 1
1 106 . 20 1 1 A 17 17 GLY HA3 H 17 4.226 4.214 0.012 1
1 107 . 20 1 1 A 18 18 GLY N N 18 111.804 110.120 1.684 1
1 108 . 20 1 1 A 18 18 GLY H H 18 8.816 8.282 0.534 1
1 109 . 20 1 1 A 18 18 GLY CA C 18 44.595 45.199 -0.604 1
1 110 . 20 1 1 A 18 18 GLY HA2 H 18 4.105 4.246 -0.141 1
1 111 . 20 1 1 A 18 18 GLY HA3 H 18 4.105 4.298 -0.193 1
1 112 . 20 1 1 A 19 19 PRO CA C 19 65.526 64.567 0.959 1
1 113 . 20 1 1 A 19 19 PRO HA H 19 4.335 4.416 -0.081 1
1 114 . 20 1 1 A 19 19 PRO CB C 19 31.790 31.852 -0.062 1
1 123 . 20 1 1 A 19 19 PRO C C 19 179.208 177.571 1.637 1
1 124 . 20 1 1 A 20 20 GLY N N 20 103.234 106.671 -3.437 1
1 125 . 20 1 1 A 20 20 GLY H H 20 9.282 8.404 0.878 1
1 126 . 20 1 1 A 20 20 GLY CA C 20 46.361 46.687 -0.326 1
1 127 . 20 1 1 A 20 20 GLY HA2 H 20 3.214 3.759 -0.545 1
1 128 . 20 1 1 A 20 20 GLY HA3 H 20 4.184 3.784 0.400 1
1 129 . 20 1 1 A 20 20 GLY C C 20 172.711 175.567 -2.856 1
1 130 . 20 1 1 A 21 21 LEU N N 21 116.307 122.708 -6.401 1
1 131 . 20 1 1 A 21 21 LEU H H 21 7.559 8.154 -0.595 1
1 132 . 20 1 1 A 21 21 LEU CA C 21 53.980 57.415 -3.435 1
1 133 . 20 1 1 A 21 21 LEU HA H 21 4.166 3.934 0.232 1
1 134 . 20 1 1 A 21 21 LEU CB C 21 40.135 41.323 -1.188 1
1 147 . 20 1 1 A 21 21 LEU C C 21 175.859 179.651 -3.792 1
1 148 . 20 1 1 A 22 22 GLU N N 22 119.926 116.408 3.518 1
1 149 . 20 1 1 A 22 22 GLU H H 22 7.927 7.698 0.229 1
1 150 . 20 1 1 A 22 22 GLU CA C 22 57.490 58.983 -1.493 1
1 151 . 20 1 1 A 22 22 GLU HA H 22 4.511 4.222 0.289 1
1 152 . 20 1 1 A 22 22 GLU CB C 22 32.057 30.341 1.716 1
1 158 . 20 1 1 A 22 22 GLU C C 22 175.521 176.950 -1.429 1
1 159 . 20 1 1 A 23 23 ARG N N 23 116.789 118.252 -1.463 1
1 160 . 20 1 1 A 23 23 ARG H H 23 8.340 7.582 0.758 1
1 161 . 20 1 1 A 23 23 ARG CA C 23 56.464 55.765 0.699 1
1 162 . 20 1 1 A 23 23 ARG HA H 23 4.688 4.657 0.031 1
1 163 . 20 1 1 A 23 23 ARG CB C 23 32.571 33.912 -1.341 1
1 174 . 20 1 1 A 23 23 ARG C C 23 173.992 174.351 -0.359 1
1 175 . 20 1 1 A 24 24 GLY N N 24 108.837 112.626 -3.789 1
1 176 . 20 1 1 A 24 24 GLY H H 24 8.736 8.884 -0.148 1
1 177 . 20 1 1 A 24 24 GLY CA C 24 43.943 44.620 -0.677 1
1 178 . 20 1 1 A 24 24 GLY HA2 H 24 3.510 4.290 -0.780 1
1 179 . 20 1 1 A 24 24 GLY HA3 H 24 4.679 4.341 0.338 1
1 180 . 20 1 1 A 24 24 GLY C C 24 171.930 173.379 -1.449 1
1 181 . 20 1 1 A 25 25 GLU N N 25 122.126 120.527 1.599 1
1 182 . 20 1 1 A 25 25 GLU H H 25 9.429 8.578 0.851 1
1 183 . 20 1 1 A 25 25 GLU CA C 25 54.209 54.584 -0.375 1
1 184 . 20 1 1 A 25 25 GLU HA H 25 5.049 5.387 -0.338 1
1 185 . 20 1 1 A 25 25 GLU CB C 25 32.945 33.777 -0.832 1
1 191 . 20 1 1 A 25 25 GLU C C 25 175.853 175.680 0.173 1
1 192 . 20 1 1 A 26 26 ALA N N 26 128.654 124.955 3.699 1
1 193 . 20 1 1 A 26 26 ALA H H 26 8.518 8.715 -0.197 1
1 194 . 20 1 1 A 26 26 ALA CA C 26 53.187 53.691 -0.504 1
1 195 . 20 1 1 A 26 26 ALA HA H 26 3.855 4.274 -0.419 1
1 196 . 20 1 1 A 26 26 ALA CB C 26 17.420 18.726 -1.306 1
1 200 . 20 1 1 A 26 26 ALA C C 26 177.837 178.609 -0.772 1
1 201 . 20 1 1 A 27 27 GLY N N 27 108.210 110.575 -2.365 1
1 202 . 20 1 1 A 27 27 GLY H H 27 8.583 8.861 -0.278 1
1 203 . 20 1 1 A 27 27 GLY CA C 27 45.619 45.508 0.111 1
1 204 . 20 1 1 A 27 27 GLY HA2 H 27 3.364 3.873 -0.509 1
1 205 . 20 1 1 A 27 27 GLY HA3 H 27 4.158 3.876 0.282 1
1 206 . 20 1 1 A 27 27 GLY C C 27 173.084 173.338 -0.254 1
1 207 . 20 1 1 A 28 28 VAL N N 28 122.974 122.080 0.894 1
1 208 . 20 1 1 A 28 28 VAL H H 28 7.878 7.725 0.153 1
1 209 . 20 1 1 A 28 28 VAL CA C 28 59.182 58.855 0.327 1
1 210 . 20 1 1 A 28 28 VAL HA H 28 4.510 4.326 0.184 1
1 211 . 20 1 1 A 28 28 VAL CB C 28 34.549 33.694 0.855 1
1 221 . 20 1 1 A 28 28 VAL C C 28 174.171 174.821 -0.650 1
1 222 . 20 1 1 A 29 29 PRO CA C 29 64.354 62.250 2.104 1
1 223 . 20 1 1 A 29 29 PRO HA H 29 4.064 4.594 -0.530 1
1 224 . 20 1 1 A 29 29 PRO CB C 29 31.464 31.637 -0.173 1
1 233 . 20 1 1 A 29 29 PRO C C 29 174.718 175.989 -1.271 1
1 234 . 20 1 1 A 30 30 ALA N N 30 131.821 126.340 5.481 1
1 235 . 20 1 1 A 30 30 ALA H H 30 8.990 8.080 0.910 1
1 236 . 20 1 1 A 30 30 ALA CA C 30 50.482 50.633 -0.151 1
1 237 . 20 1 1 A 30 30 ALA HA H 30 4.558 4.837 -0.279 1
1 238 . 20 1 1 A 30 30 ALA CB C 30 18.793 20.370 -1.577 1
1 242 . 20 1 1 A 30 30 ALA C C 30 176.319 176.330 -0.011 1
1 243 . 20 1 1 A 31 31 GLU N N 31 119.523 122.655 -3.132 1
1 244 . 20 1 1 A 31 31 GLU H H 31 8.273 8.922 -0.649 1
1 245 . 20 1 1 A 31 31 GLU CA C 31 55.261 54.781 0.480 1
1 246 . 20 1 1 A 31 31 GLU HA H 31 5.290 5.370 -0.080 1
1 247 . 20 1 1 A 31 31 GLU CB C 31 33.484 33.098 0.386 1
1 253 . 20 1 1 A 31 31 GLU C C 31 176.617 175.468 1.149 1
1 254 . 20 1 1 A 32 32 PHE N N 32 115.139 118.977 -3.838 1
1 255 . 20 1 1 A 32 32 PHE H H 32 8.905 8.253 0.652 1
1 256 . 20 1 1 A 32 32 PHE CA C 32 57.490 56.678 0.812 1
1 257 . 20 1 1 A 32 32 PHE HA H 32 5.031 5.112 -0.081 1
1 258 . 20 1 1 A 32 32 PHE CB C 32 39.989 41.555 -1.566 1
1 271 . 20 1 1 A 32 32 PHE C C 32 172.714 172.786 -0.072 1
1 272 . 20 1 1 A 33 33 SER CA C 33 57.324 55.571 1.753 1
1 273 . 20 1 1 A 33 33 SER HA H 33 5.404 5.345 0.059 1
1 274 . 20 1 1 A 33 33 SER CB C 33 66.623 65.532 1.091 1
1 277 . 20 1 1 A 34 34 ILE N N 34 127.688 122.527 5.161 1
1 278 . 20 1 1 A 34 34 ILE H H 34 9.577 8.972 0.605 1
1 279 . 20 1 1 A 34 34 ILE CA C 34 60.614 60.524 0.090 1
1 280 . 20 1 1 A 34 34 ILE HA H 34 4.668 4.964 -0.296 1
1 281 . 20 1 1 A 34 34 ILE CB C 34 41.681 40.422 1.259 1
1 294 . 20 1 1 A 35 35 TRP CA C 35 58.440 55.541 2.899 1
1 295 . 20 1 1 A 35 35 TRP HA H 35 5.262 5.334 -0.072 1
1 296 . 20 1 1 A 35 35 TRP CB C 35 30.511 32.948 -2.437 1
1 311 . 20 1 1 A 36 36 THR N N 36 114.021 117.953 -3.932 1
1 312 . 20 1 1 A 36 36 THR H H 36 8.680 7.981 0.699 1
1 313 . 20 1 1 A 36 36 THR CA C 36 61.459 60.136 1.323 1
1 314 . 20 1 1 A 36 36 THR HA H 36 4.364 4.922 -0.558 1
1 315 . 20 1 1 A 36 36 THR CB C 36 69.197 69.981 -0.784 1
1 321 . 20 1 1 A 37 37 ARG CA C 37 56.501 55.840 0.661 1
1 322 . 20 1 1 A 37 37 ARG HA H 37 4.207 4.384 -0.177 1
1 323 . 20 1 1 A 37 37 ARG CB C 37 30.884 30.953 -0.069 1
1 332 . 20 1 1 A 37 37 ARG C C 37 173.005 176.218 -3.213 1
1 333 . 20 1 1 A 38 38 GLU H H 38 8.371 8.943 -0.572 1
1 334 . 20 1 1 A 38 38 GLU CA C 38 56.895 57.115 -0.220 1
1 335 . 20 1 1 A 38 38 GLU HA H 38 4.270 4.017 0.253 1
1 336 . 20 1 1 A 38 38 GLU CB C 38 30.001 28.230 1.771 1
1 342 . 20 1 1 A 39 39 ALA N N 39 121.133 121.042 0.091 1
1 343 . 20 1 1 A 39 39 ALA H H 39 7.665 8.242 -0.577 1
1 344 . 20 1 1 A 39 39 ALA CA C 39 52.963 52.355 0.608 1
1 345 . 20 1 1 A 39 39 ALA HA H 39 3.964 4.235 -0.271 1
1 346 . 20 1 1 A 39 39 ALA CB C 39 21.097 20.691 0.406 1
1 350 . 20 1 1 A 39 39 ALA C C 39 177.871 177.309 0.562 1
1 351 . 20 1 1 A 40 40 GLY N N 40 105.600 104.464 1.136 1
1 352 . 20 1 1 A 40 40 GLY H H 40 7.654 7.580 0.074 1
1 353 . 20 1 1 A 40 40 GLY CA C 40 44.261 44.987 -0.726 1
1 354 . 20 1 1 A 40 40 GLY HA2 H 40 3.766 4.110 -0.344 1
1 355 . 20 1 1 A 40 40 GLY HA3 H 40 4.196 4.146 0.050 1
1 356 . 20 1 1 A 40 40 GLY C C 40 172.824 172.273 0.551 1
1 357 . 20 1 1 A 41 41 ALA N N 41 122.720 124.886 -2.166 1
1 358 . 20 1 1 A 41 41 ALA H H 41 8.364 8.284 0.080 1
1 359 . 20 1 1 A 41 41 ALA CA C 41 52.502 51.527 0.975 1
1 360 . 20 1 1 A 41 41 ALA HA H 41 4.396 5.051 -0.655 1
1 361 . 20 1 1 A 41 41 ALA CB C 41 19.295 22.066 -2.771 1
1 365 . 20 1 1 A 41 41 ALA C C 41 178.393 175.954 2.439 1
1 366 . 20 1 1 A 42 42 GLY N N 42 109.713 107.329 2.384 1
1 367 . 20 1 1 A 42 42 GLY H H 42 8.194 8.446 -0.252 1
1 368 . 20 1 1 A 42 42 GLY CA C 42 45.853 46.027 -0.174 1
1 369 . 20 1 1 A 42 42 GLY HA2 H 42 3.616 3.869 -0.253 1
1 370 . 20 1 1 A 42 42 GLY HA3 H 42 3.761 4.079 -0.318 1
1 371 . 20 1 1 A 42 42 GLY C C 42 172.178 172.301 -0.123 1
1 372 . 20 1 1 A 43 43 GLY N N 43 105.505 109.105 -3.600 1
1 373 . 20 1 1 A 43 43 GLY H H 43 7.422 7.954 -0.532 1
1 374 . 20 1 1 A 43 43 GLY CA C 43 44.382 43.918 0.464 1
1 375 . 20 1 1 A 43 43 GLY HA2 H 43 3.420 4.052 -0.632 1
1 376 . 20 1 1 A 43 43 GLY HA3 H 43 4.295 4.116 0.179 1
1 377 . 20 1 1 A 43 43 GLY C C 43 172.885 172.811 0.074 1
1 378 . 20 1 1 A 44 44 LEU N N 44 125.007 121.907 3.100 1
1 379 . 20 1 1 A 44 44 LEU H H 44 8.525 8.484 0.041 1
1 380 . 20 1 1 A 44 44 LEU CA C 44 53.589 53.929 -0.340 1
1 381 . 20 1 1 A 44 44 LEU HA H 44 5.357 4.986 0.371 1
1 382 . 20 1 1 A 44 44 LEU CB C 44 45.602 46.241 -0.639 1
1 395 . 20 1 1 A 44 44 LEU C C 44 177.034 175.238 1.796 1
1 396 . 20 1 1 A 45 45 SER N N 45 117.626 122.317 -4.691 1
1 397 . 20 1 1 A 45 45 SER H H 45 9.010 8.802 0.208 1
1 398 . 20 1 1 A 45 45 SER CA C 45 57.065 57.819 -0.754 1
1 399 . 20 1 1 A 45 45 SER HA H 45 4.660 4.941 -0.281 1
1 400 . 20 1 1 A 45 45 SER CB C 45 65.309 64.439 0.870 1
1 403 . 20 1 1 A 45 45 SER C C 45 172.724 173.734 -1.010 1
1 404 . 20 1 1 A 46 46 ILE N N 46 125.604 127.772 -2.168 1
1 405 . 20 1 1 A 46 46 ILE H H 46 8.584 8.915 -0.331 1
1 406 . 20 1 1 A 46 46 ILE CA C 46 59.369 59.914 -0.545 1
1 407 . 20 1 1 A 46 46 ILE HA H 46 5.182 5.121 0.061 1
1 408 . 20 1 1 A 46 46 ILE CB C 46 40.879 40.773 0.106 1
1 421 . 20 1 1 A 46 46 ILE C C 46 174.318 174.954 -0.636 1
1 422 . 20 1 1 A 47 47 ALA N N 47 128.948 128.772 0.176 1
1 423 . 20 1 1 A 47 47 ALA H H 47 8.762 8.949 -0.187 1
1 424 . 20 1 1 A 47 47 ALA CA C 47 51.123 50.917 0.206 1
1 425 . 20 1 1 A 47 47 ALA HA H 47 4.724 5.183 -0.459 1
1 426 . 20 1 1 A 47 47 ALA CB C 47 22.575 21.679 0.896 1
1 430 . 20 1 1 A 47 47 ALA C C 47 175.131 175.403 -0.272 1
1 431 . 20 1 1 A 48 48 VAL N N 48 121.512 123.449 -1.937 1
1 432 . 20 1 1 A 48 48 VAL H H 48 8.640 9.022 -0.382 1
1 433 . 20 1 1 A 48 48 VAL CA C 48 61.770 61.732 0.038 1
1 434 . 20 1 1 A 48 48 VAL HA H 48 4.749 4.655 0.094 1
1 435 . 20 1 1 A 48 48 VAL CB C 48 33.642 32.566 1.076 1
1 445 . 20 1 1 A 48 48 VAL C C 48 174.870 175.300 -0.430 1
1 446 . 20 1 1 A 49 49 GLU N N 49 126.757 125.351 1.406 1
1 447 . 20 1 1 A 49 49 GLU H H 49 8.898 8.775 0.123 1
1 448 . 20 1 1 A 49 49 GLU CA C 49 54.457 55.091 -0.634 1
1 449 . 20 1 1 A 49 49 GLU HA H 49 5.003 5.293 -0.290 1
1 450 . 20 1 1 A 49 49 GLU CB C 49 33.209 33.051 0.158 1
1 456 . 20 1 1 A 49 49 GLU C C 49 175.282 175.897 -0.615 1
1 457 . 20 1 1 A 50 50 GLY N N 50 112.668 110.638 2.030 1
1 458 . 20 1 1 A 50 50 GLY H H 50 8.563 8.553 0.010 1
1 459 . 20 1 1 A 50 50 GLY CA C 50 45.534 44.613 0.921 1
1 460 . 20 1 1 A 50 50 GLY HA2 H 50 3.481 3.502 -0.021 1
1 461 . 20 1 1 A 50 50 GLY HA3 H 50 3.836 3.993 -0.157 1
1 462 . 20 1 1 A 50 50 GLY C C 50 171.670 174.016 -2.346 1
1 463 . 20 1 1 A 51 51 PRO CA C 51 64.371 63.991 0.380 1
1 464 . 20 1 1 A 51 51 PRO HA H 51 4.309 4.389 -0.080 1
1 465 . 20 1 1 A 51 51 PRO CB C 51 32.183 31.837 0.346 1
1 474 . 20 1 1 A 51 51 PRO C C 51 175.938 175.799 0.139 1
1 475 . 20 1 1 A 52 52 SER N N 52 109.776 112.274 -2.498 1
1 476 . 20 1 1 A 52 52 SER H H 52 7.281 7.335 -0.054 1
1 477 . 20 1 1 A 52 52 SER CA C 52 56.747 56.648 0.099 1
1 478 . 20 1 1 A 52 52 SER HA H 52 4.688 4.765 -0.077 1
1 479 . 20 1 1 A 52 52 SER CB C 52 65.901 66.022 -0.121 1
1 482 . 20 1 1 A 52 52 SER C C 52 172.748 172.728 0.020 1
1 483 . 20 1 1 A 53 53 LYS N N 53 121.441 125.095 -3.654 1
1 484 . 20 1 1 A 53 53 LYS H H 53 8.607 8.414 0.193 1
1 485 . 20 1 1 A 53 53 LYS CA C 53 56.641 56.805 -0.164 1
1 486 . 20 1 1 A 53 53 LYS HA H 53 4.391 4.407 -0.016 1
1 487 . 20 1 1 A 53 53 LYS CB C 53 32.323 33.100 -0.777 1
1 499 . 20 1 1 A 53 53 LYS C C 53 175.721 175.835 -0.114 1
1 500 . 20 1 1 A 54 54 ALA N N 54 129.914 128.820 1.094 1
1 501 . 20 1 1 A 54 54 ALA H H 54 8.941 8.858 0.083 1
1 502 . 20 1 1 A 54 54 ALA CA C 54 50.924 50.239 0.685 1
1 503 . 20 1 1 A 54 54 ALA HA H 54 4.962 5.365 -0.403 1
1 504 . 20 1 1 A 54 54 ALA CB C 54 20.004 22.603 -2.599 1
1 508 . 20 1 1 A 54 54 ALA C C 54 176.618 175.339 1.279 1
1 509 . 20 1 1 A 55 55 GLU N N 55 122.179 121.613 0.566 1
1 510 . 20 1 1 A 55 55 GLU H H 55 8.153 8.639 -0.486 1
1 511 . 20 1 1 A 55 55 GLU CA C 55 55.689 56.431 -0.742 1
1 512 . 20 1 1 A 55 55 GLU HA H 55 4.569 4.704 -0.135 1
1 513 . 20 1 1 A 55 55 GLU CB C 55 31.003 30.814 0.189 1
1 519 . 20 1 1 A 55 55 GLU C C 55 176.867 175.347 1.520 1
1 520 . 20 1 1 A 56 56 ILE N N 56 127.733 126.045 1.688 1
1 521 . 20 1 1 A 56 56 ILE H H 56 8.948 8.639 0.309 1
1 522 . 20 1 1 A 56 56 ILE CA C 56 61.345 60.405 0.940 1
1 523 . 20 1 1 A 56 56 ILE HA H 56 4.744 5.175 -0.431 1
1 524 . 20 1 1 A 56 56 ILE CB C 56 40.978 42.074 -1.096 1
1 537 . 20 1 1 A 56 56 ILE C C 56 175.675 174.795 0.880 1
1 538 . 20 1 1 A 57 57 THR N N 57 124.172 123.705 0.467 1
1 539 . 20 1 1 A 57 57 THR H H 57 9.410 8.840 0.570 1
1 540 . 20 1 1 A 57 57 THR CA C 57 61.999 61.614 0.385 1
1 541 . 20 1 1 A 57 57 THR HA H 57 4.504 4.965 -0.461 1
1 542 . 20 1 1 A 57 57 THR CB C 57 70.660 70.843 -0.183 1
1 548 . 20 1 1 A 57 57 THR C C 57 172.131 173.063 -0.932 1
1 549 . 20 1 1 A 58 58 PHE N N 58 126.429 128.742 -2.313 1
1 550 . 20 1 1 A 58 58 PHE H H 58 8.796 9.216 -0.420 1
1 551 . 20 1 1 A 58 58 PHE CA C 58 56.680 56.361 0.319 1
1 552 . 20 1 1 A 58 58 PHE HA H 58 4.981 4.966 0.015 1
1 553 . 20 1 1 A 58 58 PHE CB C 58 42.400 39.903 2.497 1
1 566 . 20 1 1 A 58 58 PHE C C 58 173.719 173.422 0.297 1
1 567 . 20 1 1 A 59 59 ASP N N 59 126.210 128.090 -1.880 1
1 568 . 20 1 1 A 59 59 ASP H H 59 8.707 8.692 0.015 1
1 569 . 20 1 1 A 59 59 ASP CA C 59 52.784 52.440 0.344 1
1 570 . 20 1 1 A 59 59 ASP HA H 59 4.677 5.275 -0.598 1
1 571 . 20 1 1 A 59 59 ASP CB C 59 42.738 42.868 -0.130 1
1 574 . 20 1 1 A 59 59 ASP C C 59 173.710 173.601 0.109 1
1 575 . 20 1 1 A 60 60 ASP N N 60 123.675 126.338 -2.663 1
1 576 . 20 1 1 A 60 60 ASP H H 60 8.490 8.841 -0.351 1
1 577 . 20 1 1 A 60 60 ASP CA C 60 53.871 52.825 1.046 1
1 578 . 20 1 1 A 60 60 ASP HA H 60 4.447 4.610 -0.163 1
1 579 . 20 1 1 A 60 60 ASP CB C 60 41.108 40.745 0.363 1
1 582 . 20 1 1 A 60 60 ASP C C 60 176.691 175.801 0.890 1
1 583 . 20 1 1 A 61 61 HIS N N 61 124.385 126.535 -2.150 1
1 584 . 20 1 1 A 61 61 HIS H H 61 8.122 8.950 -0.828 1
1 585 . 20 1 1 A 61 61 HIS CA C 61 55.608 57.192 -1.584 1
1 586 . 20 1 1 A 61 61 HIS HA H 61 4.769 4.682 0.087 1
1 587 . 20 1 1 A 61 61 HIS CB C 61 28.607 32.164 -3.557 1
1 594 . 20 1 1 A 61 61 HIS C C 61 175.701 173.926 1.775 1
1 595 . 20 1 1 A 62 62 LYS N N 62 115.195 116.530 -1.335 1
1 596 . 20 1 1 A 62 62 LYS H H 62 9.178 7.755 1.423 1
1 597 . 20 1 1 A 62 62 LYS CA C 62 57.585 54.441 3.144 1
1 598 . 20 1 1 A 62 62 LYS HA H 62 4.028 4.688 -0.660 1
1 599 . 20 1 1 A 62 62 LYS CB C 62 29.373 35.169 -5.796 1
1 611 . 20 1 1 A 63 63 ASN N N 63 116.167 117.704 -1.537 1
1 612 . 20 1 1 A 63 63 ASN H H 63 7.900 8.776 -0.876 1
1 613 . 20 1 1 A 63 63 ASN CA C 63 52.056 51.851 0.205 1
1 614 . 20 1 1 A 63 63 ASN HA H 63 4.835 5.112 -0.277 1
1 615 . 20 1 1 A 63 63 ASN CB C 63 38.468 38.554 -0.086 1
1 621 . 20 1 1 A 63 63 ASN C C 63 176.634 175.286 1.348 1
1 622 . 20 1 1 A 64 64 GLY N N 64 108.877 109.280 -0.403 1
1 623 . 20 1 1 A 64 64 GLY H H 64 8.718 7.571 1.147 1
1 624 . 20 1 1 A 64 64 GLY CA C 64 45.534 46.100 -0.566 1
1 625 . 20 1 1 A 64 64 GLY HA2 H 64 3.619 4.000 -0.381 1
1 626 . 20 1 1 A 64 64 GLY HA3 H 64 4.247 4.026 0.221 1
1 627 . 20 1 1 A 65 65 SER N N 65 115.229 115.242 -0.013 1
1 628 . 20 1 1 A 65 65 SER H H 65 7.962 8.086 -0.124 1
1 629 . 20 1 1 A 65 65 SER CA C 65 57.108 58.152 -1.044 1
1 630 . 20 1 1 A 65 65 SER HA H 65 5.531 4.473 1.058 1
1 631 . 20 1 1 A 65 65 SER CB C 65 67.290 63.744 3.546 1
1 634 . 20 1 1 A 66 66 CYS N N 66 118.007 122.257 -4.250 1
1 635 . 20 1 1 A 66 66 CYS H H 66 8.807 8.803 0.004 1
1 636 . 20 1 1 A 66 66 CYS CA C 66 56.476 59.973 -3.497 1
1 637 . 20 1 1 A 66 66 CYS HA H 66 4.672 4.065 0.607 1
1 638 . 20 1 1 A 66 66 CYS CB C 66 31.077 26.798 4.279 1
1 641 . 20 1 1 A 67 67 GLY N N 67 112.448 108.570 3.878 1
1 642 . 20 1 1 A 67 67 GLY H H 67 8.679 7.970 0.709 1
1 643 . 20 1 1 A 67 67 GLY CA C 67 45.004 44.149 0.855 1
1 644 . 20 1 1 A 67 67 GLY HA2 H 67 3.629 3.834 -0.205 1
1 645 . 20 1 1 A 67 67 GLY HA3 H 67 4.645 3.850 0.795 1
1 646 . 20 1 1 A 67 67 GLY C C 67 171.754 173.266 -1.512 1
1 647 . 20 1 1 A 68 68 VAL N N 68 123.840 121.632 2.208 1
1 648 . 20 1 1 A 68 68 VAL H H 68 8.486 7.447 1.039 1
1 649 . 20 1 1 A 68 68 VAL CA C 68 60.143 61.244 -1.101 1
1 650 . 20 1 1 A 68 68 VAL HA H 68 4.579 4.549 0.030 1
1 651 . 20 1 1 A 68 68 VAL CB C 68 33.946 33.061 0.885 1
1 661 . 20 1 1 A 68 68 VAL C C 68 174.396 175.114 -0.718 1
1 662 . 20 1 1 A 69 69 SER N N 69 119.414 121.139 -1.725 1
1 663 . 20 1 1 A 69 69 SER H H 69 8.450 8.441 0.009 1
1 664 . 20 1 1 A 69 69 SER CA C 69 56.169 55.657 0.512 1
1 665 . 20 1 1 A 69 69 SER HA H 69 5.442 5.751 -0.309 1
1 666 . 20 1 1 A 69 69 SER CB C 69 65.640 66.421 -0.781 1
1 669 . 20 1 1 A 69 69 SER C C 69 173.189 173.614 -0.425 1
1 670 . 20 1 1 A 70 70 TYR N N 70 119.504 117.667 1.837 1
1 671 . 20 1 1 A 70 70 TYR H H 70 8.771 8.559 0.212 1
1 672 . 20 1 1 A 70 70 TYR CA C 70 54.962 56.087 -1.125 1
1 673 . 20 1 1 A 70 70 TYR HA H 70 5.922 5.793 0.129 1
1 674 . 20 1 1 A 70 70 TYR CB C 70 42.710 41.586 1.124 1
1 685 . 20 1 1 A 70 70 TYR C C 70 173.056 172.881 0.175 1
1 686 . 20 1 1 A 71 71 ILE N N 71 117.727 122.375 -4.648 1
1 687 . 20 1 1 A 71 71 ILE H H 71 8.196 8.507 -0.311 1
1 688 . 20 1 1 A 71 71 ILE CA C 71 60.132 59.897 0.235 1
1 689 . 20 1 1 A 71 71 ILE HA H 71 4.161 4.699 -0.538 1
1 690 . 20 1 1 A 71 71 ILE CB C 71 40.790 41.923 -1.133 1
1 703 . 20 1 1 A 71 71 ILE C C 71 175.114 174.848 0.266 1
1 704 . 20 1 1 A 72 72 ALA N N 72 133.145 129.435 3.710 1
1 705 . 20 1 1 A 72 72 ALA H H 72 9.466 8.490 0.976 1
1 706 . 20 1 1 A 72 72 ALA CA C 72 50.261 50.435 -0.174 1
1 707 . 20 1 1 A 72 72 ALA HA H 72 4.567 4.634 -0.067 1
1 708 . 20 1 1 A 72 72 ALA CB C 72 19.699 19.454 0.245 1
1 712 . 20 1 1 A 72 72 ALA C C 72 177.170 177.773 -0.603 1
1 713 . 20 1 1 A 73 73 GLN N N 73 120.464 124.516 -4.052 1
1 714 . 20 1 1 A 73 73 GLN H H 73 8.649 8.619 0.030 1
1 715 . 20 1 1 A 73 73 GLN CA C 73 57.614 59.457 -1.843 1
1 716 . 20 1 1 A 73 73 GLN HA H 73 4.083 4.032 0.051 1
1 717 . 20 1 1 A 73 73 GLN CB C 73 29.667 28.674 0.993 1
1 726 . 20 1 1 A 73 73 GLN C C 73 175.643 176.631 -0.988 1
1 727 . 20 1 1 A 74 74 GLU N N 74 114.557 117.854 -3.297 1
1 728 . 20 1 1 A 74 74 GLU H H 74 7.102 8.252 -1.150 1
1 729 . 20 1 1 A 74 74 GLU CA C 74 52.242 53.198 -0.956 1
1 730 . 20 1 1 A 74 74 GLU HA H 74 4.988 4.725 0.263 1
1 731 . 20 1 1 A 74 74 GLU CB C 74 31.732 30.373 1.359 1
1 737 . 20 1 1 A 74 74 GLU C C 74 174.462 174.157 0.305 1
1 738 . 20 1 1 A 75 75 PRO CA C 75 63.007 63.226 -0.219 1
1 739 . 20 1 1 A 75 75 PRO HA H 75 4.335 4.733 -0.398 1
1 740 . 20 1 1 A 75 75 PRO CB C 75 32.866 32.768 0.098 1
1 749 . 20 1 1 A 75 75 PRO C C 75 174.572 175.911 -1.339 1
1 750 . 20 1 1 A 76 76 GLY N N 76 107.234 107.504 -0.270 1
1 751 . 20 1 1 A 76 76 GLY H H 76 9.012 8.282 0.730 1
1 752 . 20 1 1 A 76 76 GLY CA C 76 44.615 45.233 -0.618 1
1 753 . 20 1 1 A 76 76 GLY HA2 H 76 3.850 4.168 -0.318 1
1 754 . 20 1 1 A 76 76 GLY HA3 H 76 4.201 4.212 -0.011 1
1 755 . 20 1 1 A 76 76 GLY C C 76 171.133 172.960 -1.827 1
1 756 . 20 1 1 A 77 77 ASN N N 77 119.292 117.428 1.864 1
1 757 . 20 1 1 A 77 77 ASN H H 77 8.549 8.548 0.001 1
1 758 . 20 1 1 A 77 77 ASN CA C 77 52.364 52.161 0.203 1
1 759 . 20 1 1 A 77 77 ASN HA H 77 5.369 5.240 0.129 1
1 760 . 20 1 1 A 77 77 ASN CB C 77 39.176 38.142 1.034 1
1 766 . 20 1 1 A 77 77 ASN C C 77 174.470 173.833 0.637 1
1 767 . 20 1 1 A 78 78 TYR N N 78 123.809 124.879 -1.070 1
1 768 . 20 1 1 A 78 78 TYR H H 78 9.094 8.914 0.180 1
1 769 . 20 1 1 A 78 78 TYR CA C 78 56.818 57.852 -1.034 1
1 770 . 20 1 1 A 78 78 TYR HA H 78 4.859 4.899 -0.040 1
1 771 . 20 1 1 A 78 78 TYR CB C 78 39.860 39.655 0.205 1
1 782 . 20 1 1 A 78 78 TYR C C 78 174.184 174.918 -0.734 1
1 783 . 20 1 1 A 79 79 GLU N N 79 122.250 125.611 -3.361 1
1 784 . 20 1 1 A 79 79 GLU H H 79 9.259 8.832 0.427 1
1 785 . 20 1 1 A 79 79 GLU CA C 79 54.692 55.038 -0.346 1
1 786 . 20 1 1 A 79 79 GLU HA H 79 5.313 5.046 0.267 1
1 787 . 20 1 1 A 79 79 GLU CB C 79 32.159 30.307 1.852 1
1 793 . 20 1 1 A 79 79 GLU C C 79 176.631 175.041 1.590 1
1 794 . 20 1 1 A 80 80 VAL N N 80 131.418 127.344 4.074 1
1 795 . 20 1 1 A 80 80 VAL H H 80 9.761 8.334 1.427 1
1 796 . 20 1 1 A 80 80 VAL CA C 80 61.522 62.656 -1.134 1
1 797 . 20 1 1 A 80 80 VAL HA H 80 4.801 4.488 0.313 1
1 798 . 20 1 1 A 80 80 VAL CB C 80 32.818 31.692 1.126 1
1 808 . 20 1 1 A 80 80 VAL C C 80 175.573 175.767 -0.194 1
1 809 . 20 1 1 A 81 81 SER N N 81 123.238 123.884 -0.646 1
1 810 . 20 1 1 A 81 81 SER H H 81 9.457 9.182 0.275 1
1 811 . 20 1 1 A 81 81 SER CA C 81 57.589 58.151 -0.562 1
1 812 . 20 1 1 A 81 81 SER HA H 81 5.167 5.023 0.144 1
1 813 . 20 1 1 A 81 81 SER CB C 81 64.882 64.079 0.803 1
1 816 . 20 1 1 A 81 81 SER C C 81 173.514 174.312 -0.798 1
1 817 . 20 1 1 A 82 82 ILE N N 82 126.261 127.568 -1.307 1
1 818 . 20 1 1 A 82 82 ILE H H 82 9.642 9.206 0.436 1
1 819 . 20 1 1 A 82 82 ILE CA C 82 60.992 59.785 1.207 1
1 820 . 20 1 1 A 82 82 ILE HA H 82 4.667 5.377 -0.710 1
1 821 . 20 1 1 A 82 82 ILE CB C 82 40.692 40.700 -0.008 1
1 834 . 20 1 1 A 82 82 ILE C C 82 173.498 175.498 -2.000 1
1 835 . 20 1 1 A 83 83 LYS N N 83 123.477 124.877 -1.400 1
1 836 . 20 1 1 A 83 83 LYS H H 83 8.720 8.971 -0.251 1
1 837 . 20 1 1 A 83 83 LYS CA C 83 53.730 54.980 -1.250 1
1 838 . 20 1 1 A 83 83 LYS HA H 83 5.139 5.354 -0.215 1
1 839 . 20 1 1 A 83 83 LYS CB C 83 36.351 35.620 0.731 1
1 851 . 20 1 1 A 83 83 LYS C C 83 174.914 174.389 0.525 1
1 852 . 20 1 1 A 84 84 PHE N N 84 122.298 125.932 -3.634 1
1 853 . 20 1 1 A 84 84 PHE H H 84 9.154 9.227 -0.073 1
1 854 . 20 1 1 A 84 84 PHE CA C 84 56.057 57.639 -1.582 1
1 855 . 20 1 1 A 84 84 PHE HA H 84 5.238 4.802 0.436 1
1 856 . 20 1 1 A 84 84 PHE CB C 84 43.136 41.273 1.863 1
1 867 . 20 1 1 A 84 84 PHE C C 84 175.864 175.185 0.679 1
1 868 . 20 1 1 A 85 85 ASN N N 85 127.936 125.019 2.917 1
1 869 . 20 1 1 A 85 85 ASN H H 85 9.040 9.151 -0.111 1
1 870 . 20 1 1 A 85 85 ASN CA C 85 54.448 54.478 -0.030 1
1 871 . 20 1 1 A 85 85 ASN HA H 85 4.206 4.185 0.021 1
1 872 . 20 1 1 A 85 85 ASN CB C 85 36.554 36.755 -0.201 1
1 878 . 20 1 1 A 85 85 ASN C C 85 174.620 174.170 0.450 1
1 879 . 20 1 1 A 86 86 ASP N N 86 108.763 109.921 -1.158 1
1 880 . 20 1 1 A 86 86 ASP H H 86 8.828 8.478 0.350 1
1 881 . 20 1 1 A 86 86 ASP CA C 86 56.405 55.526 0.879 1
1 882 . 20 1 1 A 86 86 ASP HA H 86 3.946 4.214 -0.268 1
1 883 . 20 1 1 A 86 86 ASP CB C 86 40.367 39.026 1.341 1
1 886 . 20 1 1 A 86 86 ASP C C 86 174.169 174.529 -0.360 1
1 887 . 20 1 1 A 87 87 GLU N N 87 119.289 117.258 2.031 1
1 888 . 20 1 1 A 87 87 GLU H H 87 7.510 7.630 -0.120 1
1 889 . 20 1 1 A 87 87 GLU CA C 87 54.483 54.919 -0.436 1
1 890 . 20 1 1 A 87 87 GLU HA H 87 4.743 4.910 -0.167 1
1 891 . 20 1 1 A 87 87 GLU CB C 87 32.763 33.408 -0.645 1
1 897 . 20 1 1 A 87 87 GLU C C 87 175.825 175.201 0.624 1
1 898 . 20 1 1 A 88 88 HIS N N 88 123.465 120.907 2.558 1
1 899 . 20 1 1 A 88 88 HIS H H 88 8.822 9.044 -0.222 1
1 900 . 20 1 1 A 88 88 HIS CA C 88 59.117 55.404 3.713 1
1 901 . 20 1 1 A 88 88 HIS HA H 88 4.511 4.901 -0.390 1
1 902 . 20 1 1 A 88 88 HIS CB C 88 32.254 28.441 3.813 1
1 909 . 20 1 1 A 88 88 HIS C C 88 177.352 175.068 2.284 1
1 910 . 20 1 1 A 89 89 ILE N N 89 117.945 122.958 -5.013 1
1 911 . 20 1 1 A 89 89 ILE H H 89 8.131 8.059 0.072 1
1 912 . 20 1 1 A 89 89 ILE CA C 89 61.121 60.218 0.903 1
1 913 . 20 1 1 A 89 89 ILE HA H 89 4.519 4.194 0.325 1
1 914 . 20 1 1 A 89 89 ILE CB C 89 35.538 37.883 -2.345 1
1 927 . 20 1 1 A 89 89 ILE C C 89 173.831 176.541 -2.710 1
1 928 . 20 1 1 A 90 90 PRO CA C 90 66.545 64.345 2.200 1
1 929 . 20 1 1 A 90 90 PRO HA H 90 4.223 4.550 -0.327 1
1 930 . 20 1 1 A 90 90 PRO CB C 90 31.693 31.581 0.112 1
1 939 . 20 1 1 A 90 90 PRO C C 90 177.046 176.413 0.633 1
1 940 . 20 1 1 A 91 91 GLU N N 91 113.835 117.258 -3.423 1
1 941 . 20 1 1 A 91 91 GLU H H 91 8.223 8.175 0.048 1
1 942 . 20 1 1 A 91 91 GLU CA C 91 57.913 56.394 1.519 1
1 943 . 20 1 1 A 91 91 GLU HA H 91 3.733 4.405 -0.672 1
1 944 . 20 1 1 A 91 91 GLU CB C 91 27.681 31.349 -3.668 1
1 950 . 20 1 1 A 91 91 GLU C C 91 173.469 175.809 -2.340 1
1 951 . 20 1 1 A 92 92 SER N N 92 111.462 112.772 -1.310 1
1 952 . 20 1 1 A 92 92 SER H H 92 7.489 7.448 0.041 1
1 953 . 20 1 1 A 92 92 SER CA C 92 54.873 55.053 -0.180 1
1 954 . 20 1 1 A 92 92 SER HA H 92 4.427 4.271 0.156 1
1 955 . 20 1 1 A 92 92 SER CB C 92 63.317 64.387 -1.070 1
1 958 . 20 1 1 A 92 92 SER C C 92 174.195 172.816 1.379 1
1 959 . 20 1 1 A 93 93 PRO CA C 93 62.333 62.406 -0.073 1
1 960 . 20 1 1 A 93 93 PRO HA H 93 5.483 4.688 0.795 1
1 961 . 20 1 1 A 93 93 PRO CB C 93 34.386 32.879 1.507 1
1 970 . 20 1 1 A 93 93 PRO C C 93 176.059 174.685 1.374 1
1 971 . 20 1 1 A 94 94 TYR N N 94 122.179 118.995 3.184 1
1 972 . 20 1 1 A 94 94 TYR H H 94 9.372 8.797 0.575 1
1 973 . 20 1 1 A 94 94 TYR CA C 94 57.101 56.823 0.278 1
1 974 . 20 1 1 A 94 94 TYR HA H 94 4.531 5.120 -0.589 1
1 975 . 20 1 1 A 94 94 TYR CB C 94 40.027 41.958 -1.931 1
1 986 . 20 1 1 A 94 94 TYR C C 94 175.281 174.183 1.098 1
1 987 . 20 1 1 A 95 95 LEU N N 95 126.428 124.845 1.583 1
1 988 . 20 1 1 A 95 95 LEU H H 95 8.807 8.801 0.006 1
1 989 . 20 1 1 A 95 95 LEU CA C 95 54.200 53.631 0.569 1
1 990 . 20 1 1 A 95 95 LEU HA H 95 4.981 5.170 -0.189 1
1 991 . 20 1 1 A 95 95 LEU CB C 95 41.894 44.669 -2.775 1
1 1004 . 20 1 1 A 95 95 LEU C C 95 176.295 174.539 1.756 1
1 1005 . 20 1 1 A 96 96 VAL N N 96 130.944 127.954 2.990 1
1 1006 . 20 1 1 A 96 96 VAL H H 96 9.629 9.106 0.523 1
1 1007 . 20 1 1 A 96 96 VAL CA C 96 59.813 59.419 0.394 1
1 1008 . 20 1 1 A 96 96 VAL HA H 96 4.469 4.592 -0.123 1
1 1009 . 20 1 1 A 96 96 VAL CB C 96 35.052 32.954 2.098 1
1 1019 . 20 1 1 A 96 96 VAL C C 96 173.734 174.666 -0.932 1
1 1020 . 20 1 1 A 97 97 PRO CA C 97 62.379 62.380 -0.001 1
1 1021 . 20 1 1 A 97 97 PRO HA H 97 5.016 4.799 0.217 1
1 1022 . 20 1 1 A 97 97 PRO CB C 97 32.163 30.882 1.281 1
1 1031 . 20 1 1 A 97 97 PRO C C 97 175.950 176.082 -0.132 1
1 1032 . 20 1 1 A 98 98 VAL N N 98 125.524 124.066 1.458 1
1 1033 . 20 1 1 A 98 98 VAL H H 98 9.196 8.700 0.496 1
1 1034 . 20 1 1 A 98 98 VAL CA C 98 61.345 62.383 -1.038 1
1 1035 . 20 1 1 A 98 98 VAL HA H 98 4.411 4.684 -0.273 1
1 1036 . 20 1 1 A 98 98 VAL CB C 98 32.037 32.072 -0.035 1
1 1046 . 20 1 1 A 98 98 VAL C C 98 176.996 176.002 0.994 1
1 1047 . 20 1 1 A 99 99 ILE N N 99 124.035 122.940 1.095 1
1 1048 . 20 1 1 A 99 99 ILE H H 99 8.392 8.762 -0.370 1
1 1049 . 20 1 1 A 99 99 ILE CA C 99 59.802 58.569 1.233 1
1 1050 . 20 1 1 A 99 99 ILE HA H 99 4.651 4.986 -0.335 1
1 1051 . 20 1 1 A 99 99 ILE CB C 99 40.609 41.613 -1.004 1
1 1064 . 20 1 1 A 99 99 ILE C C 99 175.482 174.625 0.857 1
1 1065 . 20 1 1 A 100 100 ALA N N 100 125.837 125.064 0.773 1
1 1066 . 20 1 1 A 100 100 ALA H H 100 8.714 8.521 0.193 1
1 1067 . 20 1 1 A 100 100 ALA CA C 100 50.416 50.179 0.237 1
1 1068 . 20 1 1 A 100 100 ALA HA H 100 4.603 4.491 0.112 1
1 1069 . 20 1 1 A 100 100 ALA CB C 100 18.088 19.722 -1.634 1
1 1073 . 20 1 1 A 100 100 ALA C C 100 175.264 176.357 -1.093 1
1 1074 . 20 1 1 A 101 101 PRO CA C 101 63.104 62.892 0.212 1
1 1075 . 20 1 1 A 101 101 PRO HA H 101 4.483 4.585 -0.102 1
1 1076 . 20 1 1 A 101 101 PRO CB C 101 32.222 31.615 0.607 1
1 1085 . 20 1 1 A 101 101 PRO C C 101 176.976 176.989 -0.013 1
1 1086 . 20 1 1 A 102 102 SER N N 102 116.530 115.014 1.516 1
1 1087 . 20 1 1 A 102 102 SER H H 102 8.527 8.356 0.171 1
1 1088 . 20 1 1 A 102 102 SER CA C 102 58.283 57.737 0.546 1
1 1089 . 20 1 1 A 102 102 SER HA H 102 4.433 4.679 -0.246 1
1 1090 . 20 1 1 A 102 102 SER CB C 102 64.078 62.677 1.401 1
1 1093 . 20 1 1 A 102 102 SER C C 102 174.510 173.776 0.734 1
1 1094 . 20 1 1 A 103 103 ASP N N 103 123.018 126.400 -3.382 1
1 1095 . 20 1 1 A 103 103 ASP H H 103 8.450 8.265 0.185 1
1 1096 . 20 1 1 A 103 103 ASP CA C 103 54.431 53.802 0.629 1
1 1097 . 20 1 1 A 103 103 ASP HA H 103 4.654 4.908 -0.254 1
1 1098 . 20 1 1 A 103 103 ASP CB C 103 41.226 42.185 -0.959 1
1 1101 . 20 1 1 A 103 103 ASP C C 103 175.889 175.456 0.433 1
1 1102 . 20 1 1 A 104 104 ASP N N 104 120.896 118.392 2.504 1
1 1103 . 20 1 1 A 104 104 ASP H H 104 8.264 8.638 -0.374 1
1 1104 . 20 1 1 A 104 104 ASP CA C 104 54.283 52.529 1.754 1
1 1105 . 20 1 1 A 104 104 ASP HA H 104 4.601 5.416 -0.815 1
1 1106 . 20 1 1 A 104 104 ASP CB C 104 41.183 42.126 -0.943 1
1 1109 . 20 1 1 A 104 104 ASP C C 104 175.065 175.246 -0.181 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 84 1.310 1
2 1 1 1 "RMS(OBS, PRED)" CA 98 1.214 1
3 1 1 1 "RMS(OBS, PRED)" CB 83 1.577 1
4 1 1 1 "RMS(OBS, PRED)" H 87 0.546 1
5 1 1 1 "RMS(OBS, PRED)" HA 113 0.344 1
6 1 1 1 "RMS(OBS, PRED)" N 85 2.782 1
7 1 2 1 "RMS(OBS, PRED)" C 84 1.302 1
8 1 2 1 "RMS(OBS, PRED)" CA 98 1.122 1
9 1 2 1 "RMS(OBS, PRED)" CB 83 1.600 1
10 1 2 1 "RMS(OBS, PRED)" H 87 0.514 1
11 1 2 1 "RMS(OBS, PRED)" HA 113 0.365 1
12 1 2 1 "RMS(OBS, PRED)" N 85 3.272 1
13 1 3 1 "RMS(OBS, PRED)" C 84 1.239 1
14 1 3 1 "RMS(OBS, PRED)" CA 98 1.058 1
15 1 3 1 "RMS(OBS, PRED)" CB 83 1.648 1
16 1 3 1 "RMS(OBS, PRED)" H 87 0.504 1
17 1 3 1 "RMS(OBS, PRED)" HA 113 0.372 1
18 1 3 1 "RMS(OBS, PRED)" N 85 2.685 1
19 1 4 1 "RMS(OBS, PRED)" C 84 1.259 1
20 1 4 1 "RMS(OBS, PRED)" CA 98 1.287 1
21 1 4 1 "RMS(OBS, PRED)" CB 83 1.490 1
22 1 4 1 "RMS(OBS, PRED)" H 87 0.549 1
23 1 4 1 "RMS(OBS, PRED)" HA 113 0.376 1
24 1 4 1 "RMS(OBS, PRED)" N 85 3.033 1
25 1 5 1 "RMS(OBS, PRED)" C 84 1.328 1
26 1 5 1 "RMS(OBS, PRED)" CA 98 1.268 1
27 1 5 1 "RMS(OBS, PRED)" CB 83 1.611 1
28 1 5 1 "RMS(OBS, PRED)" H 87 0.504 1
29 1 5 1 "RMS(OBS, PRED)" HA 113 0.353 1
30 1 5 1 "RMS(OBS, PRED)" N 85 3.306 1
31 1 6 1 "RMS(OBS, PRED)" C 84 1.340 1
32 1 6 1 "RMS(OBS, PRED)" CA 98 1.323 1
33 1 6 1 "RMS(OBS, PRED)" CB 83 1.501 1
34 1 6 1 "RMS(OBS, PRED)" H 87 0.486 1
35 1 6 1 "RMS(OBS, PRED)" HA 113 0.336 1
36 1 6 1 "RMS(OBS, PRED)" N 85 3.259 1
37 1 7 1 "RMS(OBS, PRED)" C 84 1.211 1
38 1 7 1 "RMS(OBS, PRED)" CA 98 1.347 1
39 1 7 1 "RMS(OBS, PRED)" CB 83 1.652 1
40 1 7 1 "RMS(OBS, PRED)" H 87 0.495 1
41 1 7 1 "RMS(OBS, PRED)" HA 113 0.371 1
42 1 7 1 "RMS(OBS, PRED)" N 85 3.003 1
43 1 8 1 "RMS(OBS, PRED)" C 84 1.293 1
44 1 8 1 "RMS(OBS, PRED)" CA 98 1.239 1
45 1 8 1 "RMS(OBS, PRED)" CB 83 1.615 1
46 1 8 1 "RMS(OBS, PRED)" H 87 0.487 1
47 1 8 1 "RMS(OBS, PRED)" HA 113 0.352 1
48 1 8 1 "RMS(OBS, PRED)" N 85 3.234 1
49 1 9 1 "RMS(OBS, PRED)" C 84 1.246 1
50 1 9 1 "RMS(OBS, PRED)" CA 98 1.403 1
51 1 9 1 "RMS(OBS, PRED)" CB 83 1.668 1
52 1 9 1 "RMS(OBS, PRED)" H 87 0.483 1
53 1 9 1 "RMS(OBS, PRED)" HA 113 0.375 1
54 1 9 1 "RMS(OBS, PRED)" N 85 3.083 1
55 1 10 1 "RMS(OBS, PRED)" C 84 1.350 1
56 1 10 1 "RMS(OBS, PRED)" CA 98 1.336 1
57 1 10 1 "RMS(OBS, PRED)" CB 83 1.780 1
58 1 10 1 "RMS(OBS, PRED)" H 87 0.544 1
59 1 10 1 "RMS(OBS, PRED)" HA 113 0.377 1
60 1 10 1 "RMS(OBS, PRED)" N 85 3.148 1
61 1 11 1 "RMS(OBS, PRED)" C 84 1.311 1
62 1 11 1 "RMS(OBS, PRED)" CA 98 1.246 1
63 1 11 1 "RMS(OBS, PRED)" CB 83 1.541 1
64 1 11 1 "RMS(OBS, PRED)" H 87 0.490 1
65 1 11 1 "RMS(OBS, PRED)" HA 113 0.392 1
66 1 11 1 "RMS(OBS, PRED)" N 85 3.257 1
67 1 12 1 "RMS(OBS, PRED)" C 84 1.320 1
68 1 12 1 "RMS(OBS, PRED)" CA 98 1.278 1
69 1 12 1 "RMS(OBS, PRED)" CB 83 1.634 1
70 1 12 1 "RMS(OBS, PRED)" H 87 0.559 1
71 1 12 1 "RMS(OBS, PRED)" HA 113 0.365 1
72 1 12 1 "RMS(OBS, PRED)" N 85 3.012 1
73 1 13 1 "RMS(OBS, PRED)" C 84 1.215 1
74 1 13 1 "RMS(OBS, PRED)" CA 98 1.245 1
75 1 13 1 "RMS(OBS, PRED)" CB 83 1.469 1
76 1 13 1 "RMS(OBS, PRED)" H 87 0.498 1
77 1 13 1 "RMS(OBS, PRED)" HA 113 0.363 1
78 1 13 1 "RMS(OBS, PRED)" N 85 3.036 1
79 1 14 1 "RMS(OBS, PRED)" C 84 1.321 1
80 1 14 1 "RMS(OBS, PRED)" CA 98 1.175 1
81 1 14 1 "RMS(OBS, PRED)" CB 83 1.733 1
82 1 14 1 "RMS(OBS, PRED)" H 87 0.534 1
83 1 14 1 "RMS(OBS, PRED)" HA 113 0.381 1
84 1 14 1 "RMS(OBS, PRED)" N 85 3.014 1
85 1 15 1 "RMS(OBS, PRED)" C 84 1.180 1
86 1 15 1 "RMS(OBS, PRED)" CA 98 1.321 1
87 1 15 1 "RMS(OBS, PRED)" CB 83 1.714 1
88 1 15 1 "RMS(OBS, PRED)" H 87 0.489 1
89 1 15 1 "RMS(OBS, PRED)" HA 113 0.360 1
90 1 15 1 "RMS(OBS, PRED)" N 85 2.866 1
91 1 16 1 "RMS(OBS, PRED)" C 84 1.220 1
92 1 16 1 "RMS(OBS, PRED)" CA 98 1.420 1
93 1 16 1 "RMS(OBS, PRED)" CB 83 1.506 1
94 1 16 1 "RMS(OBS, PRED)" H 87 0.568 1
95 1 16 1 "RMS(OBS, PRED)" HA 113 0.384 1
96 1 16 1 "RMS(OBS, PRED)" N 85 2.938 1
97 1 17 1 "RMS(OBS, PRED)" C 84 1.235 1
98 1 17 1 "RMS(OBS, PRED)" CA 98 1.286 1
99 1 17 1 "RMS(OBS, PRED)" CB 83 1.618 1
100 1 17 1 "RMS(OBS, PRED)" H 87 0.546 1
101 1 17 1 "RMS(OBS, PRED)" HA 113 0.395 1
102 1 17 1 "RMS(OBS, PRED)" N 85 3.119 1
103 1 18 1 "RMS(OBS, PRED)" C 84 1.341 1
104 1 18 1 "RMS(OBS, PRED)" CA 98 1.384 1
105 1 18 1 "RMS(OBS, PRED)" CB 83 1.604 1
106 1 18 1 "RMS(OBS, PRED)" H 87 0.493 1
107 1 18 1 "RMS(OBS, PRED)" HA 113 0.356 1
108 1 18 1 "RMS(OBS, PRED)" N 85 3.171 1
109 1 19 1 "RMS(OBS, PRED)" C 84 1.372 1
110 1 19 1 "RMS(OBS, PRED)" CA 98 1.255 1
111 1 19 1 "RMS(OBS, PRED)" CB 83 1.578 1
112 1 19 1 "RMS(OBS, PRED)" H 87 0.507 1
113 1 19 1 "RMS(OBS, PRED)" HA 113 0.349 1
114 1 19 1 "RMS(OBS, PRED)" N 85 3.349 1
115 1 20 1 "RMS(OBS, PRED)" C 84 1.282 1
116 1 20 1 "RMS(OBS, PRED)" CA 98 1.169 1
117 1 20 1 "RMS(OBS, PRED)" CB 83 1.641 1
118 1 20 1 "RMS(OBS, PRED)" H 87 0.531 1
119 1 20 1 "RMS(OBS, PRED)" HA 113 0.358 1
120 1 20 1 "RMS(OBS, PRED)" N 85 2.860 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 1 . 1 1 A 7 7 GLY N N 7 110.767 110.800 -0.033 2
1 2 . 1 1 A 7 7 GLY H H 7 8.421 8.383 0.038 2
1 3 . 1 1 A 7 7 GLY CA C 7 45.393 45.597 -0.204 2
1 4 . 1 1 A 7 7 GLY HA2 H 7 4.003 4.139 -0.137 2
1 5 . 1 1 A 7 7 GLY HA3 H 7 4.003 4.145 -0.142 2
1 6 . 1 1 A 7 7 GLY C C 7 174.160 173.955 0.205 2
1 7 . 1 1 A 8 8 GLU N N 8 120.419 121.209 -0.790 2
1 8 . 1 1 A 8 8 GLU H H 8 8.320 8.523 -0.203 2
1 9 . 1 1 A 8 8 GLU CA C 8 56.499 56.514 -0.015 2
1 10 . 1 1 A 8 8 GLU HA H 8 4.390 4.577 -0.187 2
1 11 . 1 1 A 8 8 GLU CB C 8 30.615 30.703 -0.088 2
1 17 . 1 1 A 8 8 GLU C C 8 176.858 176.438 0.420 2
1 18 . 1 1 A 9 9 GLY N N 9 109.731 108.972 0.759 2
1 19 . 1 1 A 9 9 GLY H H 9 8.522 8.279 0.243 2
1 20 . 1 1 A 9 9 GLY CA C 9 45.110 45.210 -0.100 2
1 21 . 1 1 A 9 9 GLY HA2 H 9 4.090 4.145 -0.055 2
1 22 . 1 1 A 9 9 GLY HA3 H 9 3.931 4.208 -0.277 2
1 23 . 1 1 A 9 9 GLY C C 9 173.933 173.009 0.924 2
1 24 . 1 1 A 10 10 GLY N N 10 107.139 109.136 -1.997 2
1 25 . 1 1 A 10 10 GLY H H 10 8.393 8.212 0.181 2
1 26 . 1 1 A 10 10 GLY CA C 10 45.039 45.839 -0.799 2
1 27 . 1 1 A 10 10 GLY HA2 H 10 3.868 4.397 -0.529 2
1 28 . 1 1 A 10 10 GLY HA3 H 10 4.528 4.441 0.087 2
1 29 . 1 1 A 10 10 GLY C C 10 174.561 174.231 0.330 2
1 30 . 1 1 A 11 11 ALA N N 11 122.466 125.186 -2.720 2
1 31 . 1 1 A 11 11 ALA H H 11 8.875 8.861 0.014 2
1 32 . 1 1 A 11 11 ALA CA C 11 55.391 55.022 0.369 2
1 33 . 1 1 A 11 11 ALA HA H 11 3.803 4.089 -0.286 2
1 34 . 1 1 A 11 11 ALA CB C 11 19.583 18.955 0.628 2
1 38 . 1 1 A 11 11 ALA C C 11 178.242 179.880 -1.638 2
1 39 . 1 1 A 12 12 HIS N N 12 111.513 115.563 -4.050 2
1 40 . 1 1 A 12 12 HIS H H 12 8.290 8.597 -0.307 2
1 41 . 1 1 A 12 12 HIS CA C 12 57.847 59.134 -1.287 2
1 42 . 1 1 A 12 12 HIS HA H 12 4.443 4.349 0.094 2
1 43 . 1 1 A 12 12 HIS CB C 12 29.321 28.750 0.571 2
1 50 . 1 1 A 12 12 HIS C C 12 176.189 176.990 -0.801 2
1 51 . 1 1 A 13 13 LYS N N 13 118.111 118.644 -0.533 2
1 52 . 1 1 A 13 13 LYS H H 13 7.558 7.104 0.454 2
1 53 . 1 1 A 13 13 LYS CA C 13 54.660 57.265 -2.605 2
1 54 . 1 1 A 13 13 LYS HA H 13 4.202 3.952 0.250 2
1 55 . 1 1 A 13 13 LYS CB C 13 32.655 31.947 0.708 2
1 67 . 1 1 A 13 13 LYS C C 13 176.721 176.151 0.570 2
1 68 . 1 1 A 14 14 VAL N N 14 123.625 119.405 4.220 2
1 69 . 1 1 A 14 14 VAL H H 14 7.499 7.262 0.237 2
1 70 . 1 1 A 14 14 VAL CA C 14 63.247 62.087 1.160 2
1 71 . 1 1 A 14 14 VAL HA H 14 3.907 4.137 -0.230 2
1 72 . 1 1 A 14 14 VAL CB C 14 31.649 33.057 -1.408 2
1 82 . 1 1 A 15 15 ARG H H 15 8.106 8.721 -0.615 2
1 83 . 1 1 A 15 15 ARG CA C 15 53.791 54.268 -0.477 2
1 84 . 1 1 A 15 15 ARG HA H 15 5.021 5.129 -0.108 2
1 85 . 1 1 A 15 15 ARG CB C 15 34.207 33.688 0.519 2
1 94 . 1 1 A 16 16 ALA N N 16 123.795 125.829 -2.034 2
1 95 . 1 1 A 16 16 ALA H H 16 8.875 8.838 0.037 2
1 96 . 1 1 A 16 16 ALA CA C 16 51.092 50.770 0.322 2
1 97 . 1 1 A 16 16 ALA HA H 16 5.569 5.237 0.332 2
1 98 . 1 1 A 16 16 ALA CB C 16 23.845 22.211 1.634 2
1 102 . 1 1 A 17 17 GLY N N 17 106.516 107.573 -1.057 2
1 103 . 1 1 A 17 17 GLY H H 17 8.616 8.406 0.210 2
1 104 . 1 1 A 17 17 GLY CA C 17 46.205 45.479 0.726 2
1 105 . 1 1 A 17 17 GLY HA2 H 17 4.289 4.254 0.035 2
1 106 . 1 1 A 17 17 GLY HA3 H 17 4.226 4.298 -0.072 2
1 107 . 1 1 A 18 18 GLY N N 18 111.804 108.994 2.810 2
1 108 . 1 1 A 18 18 GLY H H 18 8.816 8.488 0.328 2
1 109 . 1 1 A 18 18 GLY CA C 18 44.595 45.040 -0.445 2
1 110 . 1 1 A 18 18 GLY HA2 H 18 4.105 4.227 -0.122 2
1 111 . 1 1 A 18 18 GLY HA3 H 18 4.105 4.256 -0.151 2
1 112 . 1 1 A 19 19 PRO CA C 19 65.526 63.926 1.600 2
1 113 . 1 1 A 19 19 PRO HA H 19 4.335 4.351 -0.016 2
1 114 . 1 1 A 19 19 PRO CB C 19 31.790 31.782 0.008 2
1 123 . 1 1 A 19 19 PRO C C 19 179.208 177.528 1.680 2
1 124 . 1 1 A 20 20 GLY N N 20 103.234 109.141 -5.907 2
1 125 . 1 1 A 20 20 GLY H H 20 9.282 8.585 0.697 2
1 126 . 1 1 A 20 20 GLY CA C 20 46.361 45.899 0.462 2
1 127 . 1 1 A 20 20 GLY HA2 H 20 3.214 3.950 -0.736 2
1 128 . 1 1 A 20 20 GLY HA3 H 20 4.184 4.020 0.164 2
1 129 . 1 1 A 20 20 GLY C C 20 172.711 175.783 -3.072 2
1 130 . 1 1 A 21 21 LEU N N 21 116.307 121.934 -5.627 2
1 131 . 1 1 A 21 21 LEU H H 21 7.559 7.970 -0.411 2
1 132 . 1 1 A 21 21 LEU CA C 21 53.980 57.071 -3.091 2
1 133 . 1 1 A 21 21 LEU HA H 21 4.166 4.044 0.122 2
1 134 . 1 1 A 21 21 LEU CB C 21 40.135 41.666 -1.531 2
1 147 . 1 1 A 21 21 LEU C C 21 175.859 178.921 -3.062 2
1 148 . 1 1 A 22 22 GLU N N 22 119.926 117.338 2.588 2
1 149 . 1 1 A 22 22 GLU H H 22 7.927 8.178 -0.251 2
1 150 . 1 1 A 22 22 GLU CA C 22 57.490 59.134 -1.644 2
1 151 . 1 1 A 22 22 GLU HA H 22 4.511 4.181 0.330 2
1 152 . 1 1 A 22 22 GLU CB C 22 32.057 29.542 2.515 2
1 158 . 1 1 A 22 22 GLU C C 22 175.521 176.557 -1.036 2
1 159 . 1 1 A 23 23 ARG N N 23 116.789 118.505 -1.716 2
1 160 . 1 1 A 23 23 ARG H H 23 8.340 7.636 0.704 2
1 161 . 1 1 A 23 23 ARG CA C 23 56.464 55.309 1.155 2
1 162 . 1 1 A 23 23 ARG HA H 23 4.688 4.825 -0.137 2
1 163 . 1 1 A 23 23 ARG CB C 23 32.571 34.027 -1.456 2
1 174 . 1 1 A 23 23 ARG C C 23 173.992 174.661 -0.669 2
1 175 . 1 1 A 24 24 GLY N N 24 108.837 111.178 -2.341 2
1 176 . 1 1 A 24 24 GLY H H 24 8.736 8.601 0.135 2
1 177 . 1 1 A 24 24 GLY CA C 24 43.943 44.745 -0.803 2
1 178 . 1 1 A 24 24 GLY HA2 H 24 3.510 4.369 -0.859 2
1 179 . 1 1 A 24 24 GLY HA3 H 24 4.679 4.419 0.260 2
1 180 . 1 1 A 24 24 GLY C C 24 171.930 172.555 -0.625 2
1 181 . 1 1 A 25 25 GLU N N 25 122.126 120.755 1.371 2
1 182 . 1 1 A 25 25 GLU H H 25 9.429 8.553 0.876 2
1 183 . 1 1 A 25 25 GLU CA C 25 54.209 54.693 -0.484 2
1 184 . 1 1 A 25 25 GLU HA H 25 5.049 5.236 -0.187 2
1 185 . 1 1 A 25 25 GLU CB C 25 32.945 33.451 -0.506 2
1 191 . 1 1 A 25 25 GLU C C 25 175.853 175.750 0.103 2
1 192 . 1 1 A 26 26 ALA N N 26 128.654 126.727 1.927 2
1 193 . 1 1 A 26 26 ALA H H 26 8.518 8.769 -0.251 2
1 194 . 1 1 A 26 26 ALA CA C 26 53.187 53.831 -0.644 2
1 195 . 1 1 A 26 26 ALA HA H 26 3.855 4.298 -0.443 2
1 196 . 1 1 A 26 26 ALA CB C 26 17.420 18.498 -1.078 2
1 200 . 1 1 A 26 26 ALA C C 26 177.837 178.376 -0.539 2
1 201 . 1 1 A 27 27 GLY N N 27 108.210 110.838 -2.628 2
1 202 . 1 1 A 27 27 GLY H H 27 8.583 8.853 -0.270 2
1 203 . 1 1 A 27 27 GLY CA C 27 45.619 45.460 0.159 2
1 204 . 1 1 A 27 27 GLY HA2 H 27 3.364 3.905 -0.541 2
1 205 . 1 1 A 27 27 GLY HA3 H 27 4.158 3.911 0.247 2
1 206 . 1 1 A 27 27 GLY C C 27 173.084 173.694 -0.610 2
1 207 . 1 1 A 28 28 VAL N N 28 122.974 121.668 1.306 2
1 208 . 1 1 A 28 28 VAL H H 28 7.878 7.587 0.291 2
1 209 . 1 1 A 28 28 VAL CA C 28 59.182 58.875 0.307 2
1 210 . 1 1 A 28 28 VAL HA H 28 4.510 4.352 0.158 2
1 211 . 1 1 A 28 28 VAL CB C 28 34.549 33.866 0.683 2
1 221 . 1 1 A 28 28 VAL C C 28 174.171 174.543 -0.372 2
1 222 . 1 1 A 29 29 PRO CA C 29 64.354 62.236 2.118 2
1 223 . 1 1 A 29 29 PRO HA H 29 4.064 4.612 -0.548 2
1 224 . 1 1 A 29 29 PRO CB C 29 31.464 31.604 -0.140 2
1 233 . 1 1 A 29 29 PRO C C 29 174.718 175.748 -1.030 2
1 234 . 1 1 A 30 30 ALA N N 30 131.821 126.475 5.346 2
1 235 . 1 1 A 30 30 ALA H H 30 8.990 8.105 0.885 2
1 236 . 1 1 A 30 30 ALA CA C 30 50.482 50.763 -0.281 2
1 237 . 1 1 A 30 30 ALA HA H 30 4.558 4.644 -0.086 2
1 238 . 1 1 A 30 30 ALA CB C 30 18.793 19.847 -1.054 2
1 242 . 1 1 A 30 30 ALA C C 30 176.319 176.208 0.110 2
1 243 . 1 1 A 31 31 GLU N N 31 119.523 122.729 -3.206 2
1 244 . 1 1 A 31 31 GLU H H 31 8.273 8.852 -0.580 2
1 245 . 1 1 A 31 31 GLU CA C 31 55.261 55.058 0.203 2
1 246 . 1 1 A 31 31 GLU HA H 31 5.290 5.323 -0.033 2
1 247 . 1 1 A 31 31 GLU CB C 31 33.484 32.518 0.966 2
1 253 . 1 1 A 31 31 GLU C C 31 176.617 175.761 0.856 2
1 254 . 1 1 A 32 32 PHE N N 32 115.139 118.673 -3.534 2
1 255 . 1 1 A 32 32 PHE H H 32 8.905 8.166 0.739 2
1 256 . 1 1 A 32 32 PHE CA C 32 57.490 55.655 1.835 2
1 257 . 1 1 A 32 32 PHE HA H 32 5.031 5.453 -0.422 2
1 258 . 1 1 A 32 32 PHE CB C 32 39.989 42.059 -2.070 2
1 271 . 1 1 A 32 32 PHE C C 32 172.714 172.781 -0.067 2
1 272 . 1 1 A 33 33 SER CA C 33 57.324 57.083 0.241 2
1 273 . 1 1 A 33 33 SER HA H 33 5.404 5.030 0.374 2
1 274 . 1 1 A 33 33 SER CB C 33 66.623 64.601 2.022 2
1 277 . 1 1 A 34 34 ILE N N 34 127.688 123.904 3.784 2
1 278 . 1 1 A 34 34 ILE H H 34 9.577 8.888 0.689 2
1 279 . 1 1 A 34 34 ILE CA C 34 60.614 60.237 0.376 2
1 280 . 1 1 A 34 34 ILE HA H 34 4.668 4.768 -0.100 2
1 281 . 1 1 A 34 34 ILE CB C 34 41.681 39.928 1.753 2
1 294 . 1 1 A 35 35 TRP CA C 35 58.440 55.711 2.729 2
1 295 . 1 1 A 35 35 TRP HA H 35 5.262 5.357 -0.095 2
1 296 . 1 1 A 35 35 TRP CB C 35 30.511 31.550 -1.039 2
1 311 . 1 1 A 36 36 THR N N 36 114.021 115.783 -1.762 2
1 312 . 1 1 A 36 36 THR H H 36 8.680 8.676 0.004 2
1 313 . 1 1 A 36 36 THR CA C 36 61.459 60.596 0.863 2
1 314 . 1 1 A 36 36 THR HA H 36 4.364 4.778 -0.414 2
1 315 . 1 1 A 36 36 THR CB C 36 69.197 69.594 -0.397 2
1 321 . 1 1 A 37 37 ARG CA C 37 56.501 57.339 -0.837 2
1 322 . 1 1 A 37 37 ARG HA H 37 4.207 4.342 -0.135 2
1 323 . 1 1 A 37 37 ARG CB C 37 30.884 30.880 0.004 2
1 332 . 1 1 A 37 37 ARG C C 37 173.005 177.331 -4.326 2
1 333 . 1 1 A 38 38 GLU H H 38 8.371 8.425 -0.054 2
1 334 . 1 1 A 38 38 GLU CA C 38 56.895 57.791 -0.896 2
1 335 . 1 1 A 38 38 GLU HA H 38 4.270 4.139 0.131 2
1 336 . 1 1 A 38 38 GLU CB C 38 30.001 29.072 0.929 2
1 342 . 1 1 A 39 39 ALA N N 39 121.133 121.325 -0.192 2
1 343 . 1 1 A 39 39 ALA H H 39 7.665 7.779 -0.114 2
1 344 . 1 1 A 39 39 ALA CA C 39 52.963 52.541 0.422 2
1 345 . 1 1 A 39 39 ALA HA H 39 3.964 4.376 -0.412 2
1 346 . 1 1 A 39 39 ALA CB C 39 21.097 20.533 0.564 2
1 350 . 1 1 A 39 39 ALA C C 39 177.871 177.478 0.393 2
1 351 . 1 1 A 40 40 GLY N N 40 105.600 106.715 -1.115 2
1 352 . 1 1 A 40 40 GLY H H 40 7.654 8.239 -0.585 2
1 353 . 1 1 A 40 40 GLY CA C 40 44.261 45.687 -1.426 2
1 354 . 1 1 A 40 40 GLY HA2 H 40 3.766 4.077 -0.311 2
1 355 . 1 1 A 40 40 GLY HA3 H 40 4.196 4.113 0.083 2
1 356 . 1 1 A 40 40 GLY C C 40 172.824 173.453 -0.629 2
1 357 . 1 1 A 41 41 ALA N N 41 122.720 123.501 -0.781 2
1 358 . 1 1 A 41 41 ALA H H 41 8.364 8.176 0.188 2
1 359 . 1 1 A 41 41 ALA CA C 41 52.502 51.952 0.550 2
1 360 . 1 1 A 41 41 ALA HA H 41 4.396 4.795 -0.399 2
1 361 . 1 1 A 41 41 ALA CB C 41 19.295 20.912 -1.617 2
1 365 . 1 1 A 41 41 ALA C C 41 178.393 176.675 1.718 2
1 366 . 1 1 A 42 42 GLY N N 42 109.713 107.769 1.943 2
1 367 . 1 1 A 42 42 GLY H H 42 8.194 8.477 -0.283 2
1 368 . 1 1 A 42 42 GLY CA C 42 45.853 45.286 0.567 2
1 369 . 1 1 A 42 42 GLY HA2 H 42 3.616 3.929 -0.313 2
1 370 . 1 1 A 42 42 GLY HA3 H 42 3.761 4.138 -0.377 2
1 371 . 1 1 A 42 42 GLY C C 42 172.178 172.550 -0.372 2
1 372 . 1 1 A 43 43 GLY N N 43 105.505 108.514 -3.009 2
1 373 . 1 1 A 43 43 GLY H H 43 7.422 8.231 -0.809 2
1 374 . 1 1 A 43 43 GLY CA C 43 44.382 44.573 -0.191 2
1 375 . 1 1 A 43 43 GLY HA2 H 43 3.420 4.038 -0.618 2
1 376 . 1 1 A 43 43 GLY HA3 H 43 4.295 4.102 0.193 2
1 377 . 1 1 A 43 43 GLY C C 43 172.885 172.499 0.386 2
1 378 . 1 1 A 44 44 LEU N N 44 125.007 122.877 2.130 2
1 379 . 1 1 A 44 44 LEU H H 44 8.525 8.636 -0.112 2
1 380 . 1 1 A 44 44 LEU CA C 44 53.589 53.846 -0.257 2
1 381 . 1 1 A 44 44 LEU HA H 44 5.357 5.052 0.305 2
1 382 . 1 1 A 44 44 LEU CB C 44 45.602 45.396 0.206 2
1 395 . 1 1 A 44 44 LEU C C 44 177.034 175.190 1.844 2
1 396 . 1 1 A 45 45 SER N N 45 117.626 120.431 -2.805 2
1 397 . 1 1 A 45 45 SER H H 45 9.010 8.789 0.221 2
1 398 . 1 1 A 45 45 SER CA C 45 57.065 57.246 -0.181 2
1 399 . 1 1 A 45 45 SER HA H 45 4.660 5.131 -0.471 2
1 400 . 1 1 A 45 45 SER CB C 45 65.309 64.843 0.466 2
1 403 . 1 1 A 45 45 SER C C 45 172.724 173.520 -0.796 2
1 404 . 1 1 A 46 46 ILE N N 46 125.604 126.214 -0.610 2
1 405 . 1 1 A 46 46 ILE H H 46 8.584 8.918 -0.334 2
1 406 . 1 1 A 46 46 ILE CA C 46 59.369 60.061 -0.692 2
1 407 . 1 1 A 46 46 ILE HA H 46 5.182 5.098 0.084 2
1 408 . 1 1 A 46 46 ILE CB C 46 40.879 40.997 -0.118 2
1 421 . 1 1 A 46 46 ILE C C 46 174.318 174.705 -0.387 2
1 422 . 1 1 A 47 47 ALA N N 47 128.948 128.404 0.544 2
1 423 . 1 1 A 47 47 ALA H H 47 8.762 8.704 0.058 2
1 424 . 1 1 A 47 47 ALA CA C 47 51.123 51.106 0.017 2
1 425 . 1 1 A 47 47 ALA HA H 47 4.724 5.135 -0.411 2
1 426 . 1 1 A 47 47 ALA CB C 47 22.575 21.383 1.192 2
1 430 . 1 1 A 47 47 ALA C C 47 175.131 175.580 -0.449 2
1 431 . 1 1 A 48 48 VAL N N 48 121.512 123.772 -2.260 2
1 432 . 1 1 A 48 48 VAL H H 48 8.640 9.024 -0.384 2
1 433 . 1 1 A 48 48 VAL CA C 48 61.770 62.004 -0.234 2
1 434 . 1 1 A 48 48 VAL HA H 48 4.749 4.516 0.233 2
1 435 . 1 1 A 48 48 VAL CB C 48 33.642 31.881 1.761 2
1 445 . 1 1 A 48 48 VAL C C 48 174.870 175.494 -0.624 2
1 446 . 1 1 A 49 49 GLU N N 49 126.757 126.303 0.454 2
1 447 . 1 1 A 49 49 GLU H H 49 8.898 8.684 0.215 2
1 448 . 1 1 A 49 49 GLU CA C 49 54.457 54.865 -0.408 2
1 449 . 1 1 A 49 49 GLU HA H 49 5.003 5.250 -0.247 2
1 450 . 1 1 A 49 49 GLU CB C 49 33.209 32.654 0.555 2
1 456 . 1 1 A 49 49 GLU C C 49 175.282 176.170 -0.888 2
1 457 . 1 1 A 50 50 GLY N N 50 112.668 110.538 2.130 2
1 458 . 1 1 A 50 50 GLY H H 50 8.563 8.423 0.140 2
1 459 . 1 1 A 50 50 GLY CA C 50 45.534 44.832 0.702 2
1 460 . 1 1 A 50 50 GLY HA2 H 50 3.481 3.551 -0.070 2
1 461 . 1 1 A 50 50 GLY HA3 H 50 3.836 4.008 -0.172 2
1 462 . 1 1 A 50 50 GLY C C 50 171.670 174.062 -2.392 2
1 463 . 1 1 A 51 51 PRO CA C 51 64.371 63.986 0.385 2
1 464 . 1 1 A 51 51 PRO HA H 51 4.309 4.375 -0.066 2
1 465 . 1 1 A 51 51 PRO CB C 51 32.183 31.846 0.337 2
1 474 . 1 1 A 51 51 PRO C C 51 175.938 175.949 -0.011 2
1 475 . 1 1 A 52 52 SER N N 52 109.776 112.967 -3.191 2
1 476 . 1 1 A 52 52 SER H H 52 7.281 7.414 -0.133 2
1 477 . 1 1 A 52 52 SER CA C 52 56.747 56.930 -0.183 2
1 478 . 1 1 A 52 52 SER HA H 52 4.688 4.789 -0.101 2
1 479 . 1 1 A 52 52 SER CB C 52 65.901 66.475 -0.574 2
1 482 . 1 1 A 52 52 SER C C 52 172.748 172.701 0.047 2
1 483 . 1 1 A 53 53 LYS N N 53 121.441 123.862 -2.421 2
1 484 . 1 1 A 53 53 LYS H H 53 8.607 8.402 0.205 2
1 485 . 1 1 A 53 53 LYS CA C 53 56.641 56.760 -0.119 2
1 486 . 1 1 A 53 53 LYS HA H 53 4.391 4.461 -0.070 2
1 487 . 1 1 A 53 53 LYS CB C 53 32.323 33.301 -0.978 2
1 499 . 1 1 A 53 53 LYS C C 53 175.721 175.707 0.014 2
1 500 . 1 1 A 54 54 ALA N N 54 129.914 128.085 1.829 2
1 501 . 1 1 A 54 54 ALA H H 54 8.941 8.739 0.202 2
1 502 . 1 1 A 54 54 ALA CA C 54 50.924 50.365 0.559 2
1 503 . 1 1 A 54 54 ALA HA H 54 4.962 5.335 -0.373 2
1 504 . 1 1 A 54 54 ALA CB C 54 20.004 22.443 -2.439 2
1 508 . 1 1 A 54 54 ALA C C 54 176.618 175.446 1.172 2
1 509 . 1 1 A 55 55 GLU N N 55 122.179 122.374 -0.196 2
1 510 . 1 1 A 55 55 GLU H H 55 8.153 8.830 -0.677 2
1 511 . 1 1 A 55 55 GLU CA C 55 55.689 56.454 -0.765 2
1 512 . 1 1 A 55 55 GLU HA H 55 4.569 4.650 -0.081 2
1 513 . 1 1 A 55 55 GLU CB C 55 31.003 30.751 0.252 2
1 519 . 1 1 A 55 55 GLU C C 55 176.867 175.433 1.434 2
1 520 . 1 1 A 56 56 ILE N N 56 127.733 126.220 1.513 2
1 521 . 1 1 A 56 56 ILE H H 56 8.948 8.658 0.290 2
1 522 . 1 1 A 56 56 ILE CA C 56 61.345 60.364 0.981 2
1 523 . 1 1 A 56 56 ILE HA H 56 4.744 5.142 -0.398 2
1 524 . 1 1 A 56 56 ILE CB C 56 40.978 41.853 -0.875 2
1 537 . 1 1 A 56 56 ILE C C 56 175.675 174.844 0.831 2
1 538 . 1 1 A 57 57 THR N N 57 124.172 123.691 0.481 2
1 539 . 1 1 A 57 57 THR H H 57 9.410 8.877 0.533 2
1 540 . 1 1 A 57 57 THR CA C 57 61.999 61.570 0.429 2
1 541 . 1 1 A 57 57 THR HA H 57 4.504 4.937 -0.433 2
1 542 . 1 1 A 57 57 THR CB C 57 70.660 70.413 0.247 2
1 548 . 1 1 A 57 57 THR C C 57 172.131 172.867 -0.736 2
1 549 . 1 1 A 58 58 PHE N N 58 126.429 128.205 -1.776 2
1 550 . 1 1 A 58 58 PHE H H 58 8.796 9.083 -0.287 2
1 551 . 1 1 A 58 58 PHE CA C 58 56.680 56.187 0.493 2
1 552 . 1 1 A 58 58 PHE HA H 58 4.981 5.207 -0.225 2
1 553 . 1 1 A 58 58 PHE CB C 58 42.400 41.445 0.955 2
1 566 . 1 1 A 58 58 PHE C C 58 173.719 173.400 0.319 2
1 567 . 1 1 A 59 59 ASP N N 59 126.210 126.701 -0.491 2
1 568 . 1 1 A 59 59 ASP H H 59 8.707 8.688 0.019 2
1 569 . 1 1 A 59 59 ASP CA C 59 52.784 53.065 -0.281 2
1 570 . 1 1 A 59 59 ASP HA H 59 4.677 5.266 -0.589 2
1 571 . 1 1 A 59 59 ASP CB C 59 42.738 43.089 -0.351 2
1 574 . 1 1 A 59 59 ASP C C 59 173.710 174.214 -0.504 2
1 575 . 1 1 A 60 60 ASP N N 60 123.675 124.682 -1.007 2
1 576 . 1 1 A 60 60 ASP H H 60 8.490 8.856 -0.366 2
1 577 . 1 1 A 60 60 ASP CA C 60 53.871 52.916 0.955 2
1 578 . 1 1 A 60 60 ASP HA H 60 4.447 5.072 -0.625 2
1 579 . 1 1 A 60 60 ASP CB C 60 41.108 42.073 -0.965 2
1 582 . 1 1 A 60 60 ASP C C 60 176.691 175.433 1.258 2
1 583 . 1 1 A 61 61 HIS N N 61 124.385 122.659 1.726 2
1 584 . 1 1 A 61 61 HIS H H 61 8.122 8.768 -0.646 2
1 585 . 1 1 A 61 61 HIS CA C 61 55.608 56.480 -0.872 2
1 586 . 1 1 A 61 61 HIS HA H 61 4.769 4.656 0.113 2
1 587 . 1 1 A 61 61 HIS CB C 61 28.607 31.041 -2.434 2
1 594 . 1 1 A 61 61 HIS C C 61 175.701 174.921 0.780 2
1 595 . 1 1 A 62 62 LYS N N 62 115.195 120.519 -5.324 2
1 596 . 1 1 A 62 62 LYS H H 62 9.178 8.182 0.996 2
1 597 . 1 1 A 62 62 LYS CA C 62 57.585 56.909 0.676 2
1 598 . 1 1 A 62 62 LYS HA H 62 4.028 4.236 -0.208 2
1 599 . 1 1 A 62 62 LYS CB C 62 29.373 33.811 -4.438 2
1 611 . 1 1 A 63 63 ASN N N 63 116.167 117.847 -1.680 2
1 612 . 1 1 A 63 63 ASN H H 63 7.900 8.443 -0.543 2
1 613 . 1 1 A 63 63 ASN CA C 63 52.056 53.731 -1.675 2
1 614 . 1 1 A 63 63 ASN HA H 63 4.835 4.757 0.078 2
1 615 . 1 1 A 63 63 ASN CB C 63 38.468 38.989 -0.521 2
1 621 . 1 1 A 63 63 ASN C C 63 176.634 176.184 0.450 2
1 622 . 1 1 A 64 64 GLY N N 64 108.877 107.843 1.034 2
1 623 . 1 1 A 64 64 GLY H H 64 8.718 7.843 0.875 2
1 624 . 1 1 A 64 64 GLY CA C 64 45.534 45.970 -0.436 2
1 625 . 1 1 A 64 64 GLY HA2 H 64 3.619 3.979 -0.360 2
1 626 . 1 1 A 64 64 GLY HA3 H 64 4.247 3.998 0.249 2
1 627 . 1 1 A 65 65 SER N N 65 115.229 116.460 -1.232 2
1 628 . 1 1 A 65 65 SER H H 65 7.962 8.199 -0.237 2
1 629 . 1 1 A 65 65 SER CA C 65 57.108 58.550 -1.442 2
1 630 . 1 1 A 65 65 SER HA H 65 5.531 4.457 1.074 2
1 631 . 1 1 A 65 65 SER CB C 65 67.290 63.666 3.624 2
1 634 . 1 1 A 66 66 CYS N N 66 118.007 121.930 -3.923 2
1 635 . 1 1 A 66 66 CYS H H 66 8.807 8.376 0.431 2
1 636 . 1 1 A 66 66 CYS CA C 66 56.476 59.593 -3.117 2
1 637 . 1 1 A 66 66 CYS HA H 66 4.672 4.506 0.166 2
1 638 . 1 1 A 66 66 CYS CB C 66 31.077 29.127 1.950 2
1 641 . 1 1 A 67 67 GLY N N 67 112.448 108.169 4.279 2
1 642 . 1 1 A 67 67 GLY H H 67 8.679 7.833 0.846 2
1 643 . 1 1 A 67 67 GLY CA C 67 45.004 44.666 0.338 2
1 644 . 1 1 A 67 67 GLY HA2 H 67 3.629 3.886 -0.257 2
1 645 . 1 1 A 67 67 GLY HA3 H 67 4.645 3.925 0.720 2
1 646 . 1 1 A 67 67 GLY C C 67 171.754 172.357 -0.603 2
1 647 . 1 1 A 68 68 VAL N N 68 123.840 121.759 2.081 2
1 648 . 1 1 A 68 68 VAL H H 68 8.486 7.854 0.632 2
1 649 . 1 1 A 68 68 VAL CA C 68 60.143 61.148 -1.005 2
1 650 . 1 1 A 68 68 VAL HA H 68 4.579 4.515 0.064 2
1 651 . 1 1 A 68 68 VAL CB C 68 33.946 33.423 0.523 2
1 661 . 1 1 A 68 68 VAL C C 68 174.396 174.834 -0.438 2
1 662 . 1 1 A 69 69 SER N N 69 119.414 120.864 -1.450 2
1 663 . 1 1 A 69 69 SER H H 69 8.450 8.548 -0.098 2
1 664 . 1 1 A 69 69 SER CA C 69 56.169 55.906 0.263 2
1 665 . 1 1 A 69 69 SER HA H 69 5.442 5.493 -0.051 2
1 666 . 1 1 A 69 69 SER CB C 69 65.640 66.258 -0.618 2
1 669 . 1 1 A 69 69 SER C C 69 173.189 173.263 -0.074 2
1 670 . 1 1 A 70 70 TYR N N 70 119.504 118.016 1.488 2
1 671 . 1 1 A 70 70 TYR H H 70 8.771 8.713 0.058 2
1 672 . 1 1 A 70 70 TYR CA C 70 54.962 56.078 -1.116 2
1 673 . 1 1 A 70 70 TYR HA H 70 5.922 5.766 0.156 2
1 674 . 1 1 A 70 70 TYR CB C 70 42.710 41.739 0.972 2
1 685 . 1 1 A 70 70 TYR C C 70 173.056 172.977 0.079 2
1 686 . 1 1 A 71 71 ILE N N 71 117.727 122.350 -4.622 2
1 687 . 1 1 A 71 71 ILE H H 71 8.196 8.630 -0.434 2
1 688 . 1 1 A 71 71 ILE CA C 71 60.132 59.884 0.248 2
1 689 . 1 1 A 71 71 ILE HA H 71 4.161 4.679 -0.518 2
1 690 . 1 1 A 71 71 ILE CB C 71 40.790 41.354 -0.564 2
1 703 . 1 1 A 71 71 ILE C C 71 175.114 174.821 0.293 2
1 704 . 1 1 A 72 72 ALA N N 72 133.145 129.085 4.060 2
1 705 . 1 1 A 72 72 ALA H H 72 9.466 8.447 1.019 2
1 706 . 1 1 A 72 72 ALA CA C 72 50.261 50.499 -0.238 2
1 707 . 1 1 A 72 72 ALA HA H 72 4.567 4.569 -0.002 2
1 708 . 1 1 A 72 72 ALA CB C 72 19.699 19.388 0.311 2
1 712 . 1 1 A 72 72 ALA C C 72 177.170 177.804 -0.634 2
1 713 . 1 1 A 73 73 GLN N N 73 120.464 124.446 -3.982 2
1 714 . 1 1 A 73 73 GLN H H 73 8.649 8.614 0.035 2
1 715 . 1 1 A 73 73 GLN CA C 73 57.614 59.082 -1.468 2
1 716 . 1 1 A 73 73 GLN HA H 73 4.083 4.085 -0.002 2
1 717 . 1 1 A 73 73 GLN CB C 73 29.667 28.846 0.821 2
1 726 . 1 1 A 73 73 GLN C C 73 175.643 176.501 -0.858 2
1 727 . 1 1 A 74 74 GLU N N 74 114.557 117.861 -3.304 2
1 728 . 1 1 A 74 74 GLU H H 74 7.102 8.186 -1.084 2
1 729 . 1 1 A 74 74 GLU CA C 74 52.242 53.054 -0.812 2
1 730 . 1 1 A 74 74 GLU HA H 74 4.988 4.767 0.221 2
1 731 . 1 1 A 74 74 GLU CB C 74 31.732 30.659 1.073 2
1 737 . 1 1 A 74 74 GLU C C 74 174.462 174.062 0.400 2
1 738 . 1 1 A 75 75 PRO CA C 75 63.007 63.281 -0.274 2
1 739 . 1 1 A 75 75 PRO HA H 75 4.335 4.681 -0.346 2
1 740 . 1 1 A 75 75 PRO CB C 75 32.866 32.853 0.013 2
1 749 . 1 1 A 75 75 PRO C C 75 174.572 175.928 -1.356 2
1 750 . 1 1 A 76 76 GLY N N 76 107.234 107.712 -0.478 2
1 751 . 1 1 A 76 76 GLY H H 76 9.012 8.455 0.557 2
1 752 . 1 1 A 76 76 GLY CA C 76 44.615 44.962 -0.347 2
1 753 . 1 1 A 76 76 GLY HA2 H 76 3.850 4.173 -0.323 2
1 754 . 1 1 A 76 76 GLY HA3 H 76 4.201 4.210 -0.009 2
1 755 . 1 1 A 76 76 GLY C C 76 171.133 172.707 -1.574 2
1 756 . 1 1 A 77 77 ASN N N 77 119.292 117.702 1.590 2
1 757 . 1 1 A 77 77 ASN H H 77 8.549 8.519 0.030 2
1 758 . 1 1 A 77 77 ASN CA C 77 52.364 52.317 0.047 2
1 759 . 1 1 A 77 77 ASN HA H 77 5.369 5.251 0.118 2
1 760 . 1 1 A 77 77 ASN CB C 77 39.176 38.800 0.376 2
1 766 . 1 1 A 77 77 ASN C C 77 174.470 173.891 0.579 2
1 767 . 1 1 A 78 78 TYR N N 78 123.809 124.751 -0.942 2
1 768 . 1 1 A 78 78 TYR H H 78 9.094 8.946 0.148 2
1 769 . 1 1 A 78 78 TYR CA C 78 56.818 57.688 -0.870 2
1 770 . 1 1 A 78 78 TYR HA H 78 4.859 4.978 -0.119 2
1 771 . 1 1 A 78 78 TYR CB C 78 39.860 39.569 0.291 2
1 782 . 1 1 A 78 78 TYR C C 78 174.184 174.930 -0.746 2
1 783 . 1 1 A 79 79 GLU N N 79 122.250 125.623 -3.373 2
1 784 . 1 1 A 79 79 GLU H H 79 9.259 8.978 0.281 2
1 785 . 1 1 A 79 79 GLU CA C 79 54.692 55.639 -0.947 2
1 786 . 1 1 A 79 79 GLU HA H 79 5.313 5.049 0.264 2
1 787 . 1 1 A 79 79 GLU CB C 79 32.159 30.581 1.578 2
1 793 . 1 1 A 79 79 GLU C C 79 176.631 175.133 1.498 2
1 794 . 1 1 A 80 80 VAL N N 80 131.418 128.069 3.349 2
1 795 . 1 1 A 80 80 VAL H H 80 9.761 8.539 1.222 2
1 796 . 1 1 A 80 80 VAL CA C 80 61.522 62.125 -0.603 2
1 797 . 1 1 A 80 80 VAL HA H 80 4.801 4.566 0.235 2
1 798 . 1 1 A 80 80 VAL CB C 80 32.818 31.924 0.894 2
1 808 . 1 1 A 80 80 VAL C C 80 175.573 175.286 0.287 2
1 809 . 1 1 A 81 81 SER N N 81 123.238 122.697 0.541 2
1 810 . 1 1 A 81 81 SER H H 81 9.457 9.143 0.314 2
1 811 . 1 1 A 81 81 SER CA C 81 57.589 57.315 0.274 2
1 812 . 1 1 A 81 81 SER HA H 81 5.167 5.093 0.074 2
1 813 . 1 1 A 81 81 SER CB C 81 64.882 64.250 0.632 2
1 816 . 1 1 A 81 81 SER C C 81 173.514 173.852 -0.338 2
1 817 . 1 1 A 82 82 ILE N N 82 126.261 127.777 -1.516 2
1 818 . 1 1 A 82 82 ILE H H 82 9.642 9.191 0.451 2
1 819 . 1 1 A 82 82 ILE CA C 82 60.992 60.032 0.960 2
1 820 . 1 1 A 82 82 ILE HA H 82 4.667 5.177 -0.510 2
1 821 . 1 1 A 82 82 ILE CB C 82 40.692 40.457 0.235 2
1 834 . 1 1 A 82 82 ILE C C 82 173.498 175.212 -1.714 2
1 835 . 1 1 A 83 83 LYS N N 83 123.477 126.267 -2.790 2
1 836 . 1 1 A 83 83 LYS H H 83 8.720 8.820 -0.100 2
1 837 . 1 1 A 83 83 LYS CA C 83 53.730 54.910 -1.180 2
1 838 . 1 1 A 83 83 LYS HA H 83 5.139 5.200 -0.061 2
1 839 . 1 1 A 83 83 LYS CB C 83 36.351 35.119 1.232 2
1 851 . 1 1 A 83 83 LYS C C 83 174.914 174.459 0.455 2
1 852 . 1 1 A 84 84 PHE N N 84 122.298 126.170 -3.872 2
1 853 . 1 1 A 84 84 PHE H H 84 9.154 9.129 0.025 2
1 854 . 1 1 A 84 84 PHE CA C 84 56.057 57.490 -1.433 2
1 855 . 1 1 A 84 84 PHE HA H 84 5.238 4.839 0.399 2
1 856 . 1 1 A 84 84 PHE CB C 84 43.136 40.907 2.229 2
1 867 . 1 1 A 84 84 PHE C C 84 175.864 175.246 0.618 2
1 868 . 1 1 A 85 85 ASN N N 85 127.936 125.216 2.720 2
1 869 . 1 1 A 85 85 ASN H H 85 9.040 9.043 -0.003 2
1 870 . 1 1 A 85 85 ASN CA C 85 54.448 54.265 0.183 2
1 871 . 1 1 A 85 85 ASN HA H 85 4.206 4.181 0.025 2
1 872 . 1 1 A 85 85 ASN CB C 85 36.554 36.487 0.067 2
1 878 . 1 1 A 85 85 ASN C C 85 174.620 174.305 0.315 2
1 879 . 1 1 A 86 86 ASP N N 86 108.763 111.864 -3.101 2
1 880 . 1 1 A 86 86 ASP H H 86 8.828 8.448 0.380 2
1 881 . 1 1 A 86 86 ASP CA C 86 56.405 55.475 0.930 2
1 882 . 1 1 A 86 86 ASP HA H 86 3.946 4.193 -0.247 2
1 883 . 1 1 A 86 86 ASP CB C 86 40.367 39.279 1.088 2
1 886 . 1 1 A 86 86 ASP C C 86 174.169 174.607 -0.438 2
1 887 . 1 1 A 87 87 GLU N N 87 119.289 117.193 2.096 2
1 888 . 1 1 A 87 87 GLU H H 87 7.510 7.591 -0.081 2
1 889 . 1 1 A 87 87 GLU CA C 87 54.483 54.835 -0.352 2
1 890 . 1 1 A 87 87 GLU HA H 87 4.743 4.891 -0.147 2
1 891 . 1 1 A 87 87 GLU CB C 87 32.763 33.474 -0.711 2
1 897 . 1 1 A 87 87 GLU C C 87 175.825 175.305 0.520 2
1 898 . 1 1 A 88 88 HIS N N 88 123.465 120.649 2.816 2
1 899 . 1 1 A 88 88 HIS H H 88 8.822 9.162 -0.340 2
1 900 . 1 1 A 88 88 HIS CA C 88 59.117 55.601 3.516 2
1 901 . 1 1 A 88 88 HIS HA H 88 4.511 4.947 -0.435 2
1 902 . 1 1 A 88 88 HIS CB C 88 32.254 29.677 2.577 2
1 909 . 1 1 A 88 88 HIS C C 88 177.352 175.447 1.905 2
1 910 . 1 1 A 89 89 ILE N N 89 117.945 122.820 -4.875 2
1 911 . 1 1 A 89 89 ILE H H 89 8.131 8.507 -0.376 2
1 912 . 1 1 A 89 89 ILE CA C 89 61.121 59.936 1.185 2
1 913 . 1 1 A 89 89 ILE HA H 89 4.519 4.418 0.102 2
1 914 . 1 1 A 89 89 ILE CB C 89 35.538 37.752 -2.214 2
1 927 . 1 1 A 89 89 ILE C C 89 173.831 176.637 -2.806 2
1 928 . 1 1 A 90 90 PRO CA C 90 66.545 64.314 2.231 2
1 929 . 1 1 A 90 90 PRO HA H 90 4.223 4.543 -0.320 2
1 930 . 1 1 A 90 90 PRO CB C 90 31.693 31.553 0.140 2
1 939 . 1 1 A 90 90 PRO C C 90 177.046 176.453 0.593 2
1 940 . 1 1 A 91 91 GLU N N 91 113.835 117.040 -3.205 2
1 941 . 1 1 A 91 91 GLU H H 91 8.223 8.224 -0.001 2
1 942 . 1 1 A 91 91 GLU CA C 91 57.913 56.234 1.679 2
1 943 . 1 1 A 91 91 GLU HA H 91 3.733 4.357 -0.624 2
1 944 . 1 1 A 91 91 GLU CB C 91 27.681 31.270 -3.589 2
1 950 . 1 1 A 91 91 GLU C C 91 173.469 175.546 -2.077 2
1 951 . 1 1 A 92 92 SER N N 92 111.462 113.321 -1.859 2
1 952 . 1 1 A 92 92 SER H H 92 7.489 7.538 -0.049 2
1 953 . 1 1 A 92 92 SER CA C 92 54.873 55.259 -0.386 2
1 954 . 1 1 A 92 92 SER HA H 92 4.427 4.584 -0.157 2
1 955 . 1 1 A 92 92 SER CB C 92 63.317 64.799 -1.482 2
1 958 . 1 1 A 92 92 SER C C 92 174.195 172.536 1.659 2
1 959 . 1 1 A 93 93 PRO CA C 93 62.333 62.484 -0.151 2
1 960 . 1 1 A 93 93 PRO HA H 93 5.483 4.728 0.755 2
1 961 . 1 1 A 93 93 PRO CB C 93 34.386 32.640 1.746 2
1 970 . 1 1 A 93 93 PRO C C 93 176.059 174.937 1.122 2
1 971 . 1 1 A 94 94 TYR N N 94 122.179 119.351 2.828 2
1 972 . 1 1 A 94 94 TYR H H 94 9.372 8.929 0.443 2
1 973 . 1 1 A 94 94 TYR CA C 94 57.101 57.043 0.058 2
1 974 . 1 1 A 94 94 TYR HA H 94 4.531 5.094 -0.563 2
1 975 . 1 1 A 94 94 TYR CB C 94 40.027 41.524 -1.497 2
1 986 . 1 1 A 94 94 TYR C C 94 175.281 174.365 0.916 2
1 987 . 1 1 A 95 95 LEU N N 95 126.428 124.256 2.172 2
1 988 . 1 1 A 95 95 LEU H H 95 8.807 8.732 0.075 2
1 989 . 1 1 A 95 95 LEU CA C 95 54.200 53.709 0.491 2
1 990 . 1 1 A 95 95 LEU HA H 95 4.981 5.141 -0.160 2
1 991 . 1 1 A 95 95 LEU CB C 95 41.894 44.496 -2.602 2
1 1004 . 1 1 A 95 95 LEU C C 95 176.295 174.561 1.734 2
1 1005 . 1 1 A 96 96 VAL N N 96 130.944 127.572 3.372 2
1 1006 . 1 1 A 96 96 VAL H H 96 9.629 8.859 0.770 2
1 1007 . 1 1 A 96 96 VAL CA C 96 59.813 59.399 0.414 2
1 1008 . 1 1 A 96 96 VAL HA H 96 4.469 4.606 -0.137 2
1 1009 . 1 1 A 96 96 VAL CB C 96 35.052 33.042 2.010 2
1 1019 . 1 1 A 96 96 VAL C C 96 173.734 174.777 -1.043 2
1 1020 . 1 1 A 97 97 PRO CA C 97 62.379 62.390 -0.011 2
1 1021 . 1 1 A 97 97 PRO HA H 97 5.016 4.804 0.212 2
1 1022 . 1 1 A 97 97 PRO CB C 97 32.163 30.302 1.861 2
1 1031 . 1 1 A 97 97 PRO C C 97 175.950 176.358 -0.408 2
1 1032 . 1 1 A 98 98 VAL N N 98 125.524 123.859 1.665 2
1 1033 . 1 1 A 98 98 VAL H H 98 9.196 8.736 0.460 2
1 1034 . 1 1 A 98 98 VAL CA C 98 61.345 62.750 -1.405 2
1 1035 . 1 1 A 98 98 VAL HA H 98 4.411 4.567 -0.156 2
1 1036 . 1 1 A 98 98 VAL CB C 98 32.037 32.059 -0.022 2
1 1046 . 1 1 A 98 98 VAL C C 98 176.996 175.996 1.000 2
1 1047 . 1 1 A 99 99 ILE N N 99 124.035 122.233 1.802 2
1 1048 . 1 1 A 99 99 ILE H H 99 8.392 8.722 -0.330 2
1 1049 . 1 1 A 99 99 ILE CA C 99 59.802 58.709 1.092 2
1 1050 . 1 1 A 99 99 ILE HA H 99 4.651 4.991 -0.340 2
1 1051 . 1 1 A 99 99 ILE CB C 99 40.609 41.851 -1.242 2
1 1064 . 1 1 A 99 99 ILE C C 99 175.482 174.545 0.937 2
1 1065 . 1 1 A 100 100 ALA N N 100 125.837 125.167 0.670 2
1 1066 . 1 1 A 100 100 ALA H H 100 8.714 8.528 0.186 2
1 1067 . 1 1 A 100 100 ALA CA C 100 50.416 50.074 0.342 2
1 1068 . 1 1 A 100 100 ALA HA H 100 4.603 4.502 0.101 2
1 1069 . 1 1 A 100 100 ALA CB C 100 18.088 19.711 -1.623 2
1 1073 . 1 1 A 100 100 ALA C C 100 175.264 176.330 -1.066 2
1 1074 . 1 1 A 101 101 PRO CA C 101 63.104 62.831 0.273 2
1 1075 . 1 1 A 101 101 PRO HA H 101 4.483 4.585 -0.102 2
1 1076 . 1 1 A 101 101 PRO CB C 101 32.222 31.847 0.375 2
1 1085 . 1 1 A 101 101 PRO C C 101 176.976 176.591 0.385 2
1 1086 . 1 1 A 102 102 SER N N 102 116.530 118.165 -1.635 2
1 1087 . 1 1 A 102 102 SER H H 102 8.527 8.527 0.000 2
1 1088 . 1 1 A 102 102 SER CA C 102 58.283 58.394 -0.111 2
1 1089 . 1 1 A 102 102 SER HA H 102 4.433 4.631 -0.198 2
1 1090 . 1 1 A 102 102 SER CB C 102 64.078 63.467 0.611 2
1 1093 . 1 1 A 102 102 SER C C 102 174.510 173.358 1.152 2
1 1094 . 1 1 A 103 103 ASP N N 103 123.018 126.203 -3.185 2
1 1095 . 1 1 A 103 103 ASP H H 103 8.450 8.697 -0.247 2
1 1096 . 1 1 A 103 103 ASP CA C 103 54.431 53.563 0.868 2
1 1097 . 1 1 A 103 103 ASP HA H 103 4.654 5.030 -0.376 2
1 1098 . 1 1 A 103 103 ASP CB C 103 41.226 42.725 -1.499 2
1 1101 . 1 1 A 103 103 ASP C C 103 175.889 175.080 0.809 2
1 1102 . 1 1 A 104 104 ASP N N 104 120.896 122.363 -1.467 2
1 1103 . 1 1 A 104 104 ASP H H 104 8.264 8.705 -0.441 2
1 1104 . 1 1 A 104 104 ASP CA C 104 54.283 54.212 0.071 2
1 1105 . 1 1 A 104 104 ASP HA H 104 4.601 4.880 -0.279 2
1 1106 . 1 1 A 104 104 ASP CB C 104 41.183 42.325 -1.142 2
1 1109 . 1 1 A 104 104 ASP C C 104 175.065 175.887 -0.822 2
stop_
save_