data_10143_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10143
_Entry.PDB_ID 2E9J
_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 9 9 SER HA H 9 4.733 4.888 -0.155 1
1 2 . 1 1 1 A 10 10 PRO CA C 10 63.335 64.393 -1.058 1
1 3 . 1 1 1 A 10 10 PRO HA H 10 4.399 4.246 0.153 1
1 4 . 1 1 1 A 10 10 PRO CB C 10 31.938 32.206 -0.268 1
1 10 . 1 1 1 A 10 10 PRO C C 10 176.442 176.120 0.322 1
1 14 . 1 1 1 A 11 11 PHE N N 11 119.801 117.251 2.550 1
1 15 . 1 1 1 A 11 11 PHE H H 11 8.036 7.665 0.371 1
1 16 . 1 1 1 A 11 11 PHE CA C 11 57.505 56.228 1.277 1
1 17 . 1 1 1 A 11 11 PHE HA H 11 4.606 5.113 -0.507 1
1 18 . 1 1 1 A 11 11 PHE CB C 11 39.592 42.845 -3.253 1
1 30 . 1 1 1 A 11 11 PHE C C 11 175.401 174.140 1.261 1
1 32 . 1 1 1 A 12 12 LYS N N 12 123.563 124.247 -0.684 1
1 33 . 1 1 1 A 12 12 LYS H H 12 8.112 8.743 -0.631 1
1 34 . 1 1 1 A 12 12 LYS CA C 12 56.175 55.770 0.405 1
1 35 . 1 1 1 A 12 12 LYS HA H 12 4.322 4.690 -0.368 1
1 36 . 1 1 1 A 12 12 LYS CB C 12 33.352 36.103 -2.751 1
1 44 . 1 1 1 A 12 12 LYS C C 12 175.802 174.484 1.318 1
1 49 . 1 1 1 A 13 13 VAL N N 13 122.071 122.419 -0.348 1
1 50 . 1 1 1 A 13 13 VAL H H 13 8.080 8.752 -0.672 1
1 51 . 1 1 1 A 13 13 VAL CA C 13 62.280 60.174 2.106 1
1 52 . 1 1 1 A 13 13 VAL HA H 13 4.036 4.658 -0.622 1
1 53 . 1 1 1 A 13 13 VAL CB C 13 32.895 34.188 -1.293 1
1 63 . 1 1 1 A 13 13 VAL C C 13 175.814 175.973 -0.159 1
1 64 . 1 1 1 A 14 14 LYS N N 14 125.874 120.211 5.663 1
1 65 . 1 1 1 A 14 14 LYS H H 14 8.392 8.485 -0.093 1
1 66 . 1 1 1 A 14 14 LYS CA C 14 56.250 55.442 0.808 1
1 67 . 1 1 1 A 14 14 LYS HA H 14 4.322 4.543 -0.221 1
1 68 . 1 1 1 A 14 14 LYS CB C 14 33.193 32.173 1.020 1
1 73 . 1 1 1 A 14 14 LYS C C 14 175.973 176.044 -0.071 1
1 75 . 1 1 1 A 15 15 VAL N N 15 123.129 117.936 5.193 1
1 76 . 1 1 1 A 15 15 VAL H H 15 8.204 7.423 0.781 1
1 77 . 1 1 1 A 15 15 VAL CA C 15 62.033 60.847 1.186 1
1 78 . 1 1 1 A 15 15 VAL HA H 15 4.100 4.253 -0.153 1
1 79 . 1 1 1 A 15 15 VAL CB C 15 32.858 33.611 -0.753 1
1 89 . 1 1 1 A 15 15 VAL C C 15 175.717 175.979 -0.262 1
1 90 . 1 1 1 A 16 16 LEU N N 16 127.971 118.684 9.287 1
1 91 . 1 1 1 A 16 16 LEU H H 16 8.378 8.292 0.086 1
1 92 . 1 1 1 A 16 16 LEU CA C 16 52.885 52.457 0.428 1
1 93 . 1 1 1 A 16 16 LEU HA H 16 4.624 4.824 -0.200 1
1 94 . 1 1 1 A 16 16 LEU CB C 16 41.706 42.343 -0.637 1
1 106 . 1 1 1 A 16 16 LEU C C 16 175.092 175.472 -0.380 1
1 108 . 1 1 1 A 17 17 PRO CA C 17 62.704 62.337 0.367 1
1 109 . 1 1 1 A 17 17 PRO HA H 17 4.556 4.651 -0.095 1
1 110 . 1 1 1 A 17 17 PRO CB C 17 32.293 32.732 -0.439 1
1 116 . 1 1 1 A 17 17 PRO C C 17 177.319 177.262 0.057 1
1 120 . 1 1 1 A 18 18 THR N N 18 112.726 114.715 -1.989 1
1 121 . 1 1 1 A 18 18 THR H H 18 8.497 8.681 -0.184 1
1 122 . 1 1 1 A 18 18 THR CA C 18 62.335 64.632 -2.297 1
1 123 . 1 1 1 A 18 18 THR HA H 18 4.352 4.246 0.106 1
1 124 . 1 1 1 A 18 18 THR CB C 18 69.700 69.176 0.524 1
1 130 . 1 1 1 A 18 18 THR C C 18 173.418 174.906 -1.488 1
1 131 . 1 1 1 A 19 19 TYR N N 19 118.883 119.717 -0.834 1
1 132 . 1 1 1 A 19 19 TYR H H 19 7.244 7.895 -0.651 1
1 133 . 1 1 1 A 19 19 TYR CA C 19 55.270 56.826 -1.556 1
1 134 . 1 1 1 A 19 19 TYR HA H 19 5.404 5.006 0.398 1
1 135 . 1 1 1 A 19 19 TYR CB C 19 40.974 40.916 0.058 1
1 145 . 1 1 1 A 19 19 TYR C C 19 174.318 174.262 0.056 1
1 147 . 1 1 1 A 20 20 ASP N N 20 118.193 119.166 -0.973 1
1 148 . 1 1 1 A 20 20 ASP H H 20 8.686 8.919 -0.233 1
1 149 . 1 1 1 A 20 20 ASP CA C 20 53.226 53.670 -0.444 1
1 150 . 1 1 1 A 20 20 ASP HA H 20 4.539 4.815 -0.276 1
1 151 . 1 1 1 A 20 20 ASP CB C 20 41.490 43.246 -1.756 1
1 153 . 1 1 1 A 20 20 ASP C C 20 176.349 175.732 0.617 1
1 155 . 1 1 1 A 21 21 ALA N N 21 127.255 128.634 -1.379 1
1 156 . 1 1 1 A 21 21 ALA H H 21 9.404 8.968 0.436 1
1 157 . 1 1 1 A 21 21 ALA CA C 21 55.157 55.883 -0.726 1
1 158 . 1 1 1 A 21 21 ALA HA H 21 4.204 4.141 0.063 1
1 159 . 1 1 1 A 21 21 ALA CB C 21 19.890 18.432 1.458 1
1 163 . 1 1 1 A 21 21 ALA C C 21 178.113 179.667 -1.554 1
1 164 . 1 1 1 A 22 22 SER N N 22 110.959 112.746 -1.787 1
1 165 . 1 1 1 A 22 22 SER H H 22 8.397 8.217 0.180 1
1 166 . 1 1 1 A 22 22 SER CA C 22 60.794 61.390 -0.596 1
1 167 . 1 1 1 A 22 22 SER HA H 22 4.363 4.248 0.115 1
1 168 . 1 1 1 A 22 22 SER CB C 22 62.850 62.633 0.217 1
1 170 . 1 1 1 A 22 22 SER C C 22 175.425 175.998 -0.573 1
1 172 . 1 1 1 A 23 23 LYS N N 23 119.671 118.359 1.312 1
1 173 . 1 1 1 A 23 23 LYS H H 23 7.366 7.465 -0.099 1
1 174 . 1 1 1 A 23 23 LYS CA C 23 54.818 55.796 -0.978 1
1 175 . 1 1 1 A 23 23 LYS HA H 23 4.368 4.441 -0.073 1
1 176 . 1 1 1 A 23 23 LYS CB C 23 33.063 32.473 0.590 1
1 184 . 1 1 1 A 23 23 LYS C C 23 176.544 174.848 1.696 1
1 189 . 1 1 1 A 24 24 VAL N N 24 123.377 120.083 3.294 1
1 190 . 1 1 1 A 24 24 VAL H H 24 7.392 7.652 -0.260 1
1 191 . 1 1 1 A 24 24 VAL CA C 24 62.722 61.271 1.451 1
1 192 . 1 1 1 A 24 24 VAL HA H 24 4.184 4.503 -0.319 1
1 193 . 1 1 1 A 24 24 VAL CB C 24 31.780 33.833 -2.053 1
1 203 . 1 1 1 A 24 24 VAL C C 24 175.644 175.167 0.477 1
1 204 . 1 1 1 A 25 25 THR N N 25 117.441 117.282 0.159 1
1 205 . 1 1 1 A 25 25 THR H H 25 8.384 8.890 -0.506 1
1 206 . 1 1 1 A 25 25 THR CA C 25 59.858 59.624 0.234 1
1 207 . 1 1 1 A 25 25 THR HA H 25 4.784 5.308 -0.524 1
1 208 . 1 1 1 A 25 25 THR CB C 25 71.687 72.574 -0.887 1
1 214 . 1 1 1 A 25 25 THR C C 25 172.360 173.033 -0.673 1
1 215 . 1 1 1 A 26 26 ALA N N 26 123.956 123.619 0.337 1
1 216 . 1 1 1 A 26 26 ALA H H 26 8.440 8.704 -0.264 1
1 217 . 1 1 1 A 26 26 ALA CA C 26 51.022 50.970 0.052 1
1 218 . 1 1 1 A 26 26 ALA HA H 26 5.575 5.449 0.126 1
1 219 . 1 1 1 A 26 26 ALA CB C 26 22.576 23.476 -0.900 1
1 223 . 1 1 1 A 26 26 ALA C C 26 176.301 175.489 0.812 1
1 224 . 1 1 1 A 27 27 SER N N 27 114.430 114.622 -0.192 1
1 225 . 1 1 1 A 27 27 SER H H 27 9.021 8.847 0.174 1
1 226 . 1 1 1 A 27 27 SER CA C 27 57.771 57.327 0.444 1
1 227 . 1 1 1 A 27 27 SER HA H 27 4.745 5.311 -0.566 1
1 228 . 1 1 1 A 27 27 SER CB C 27 65.911 67.477 -1.566 1
1 230 . 1 1 1 A 27 27 SER C C 27 172.798 173.054 -0.256 1
1 232 . 1 1 1 A 28 28 GLY N N 28 108.618 110.121 -1.503 1
1 233 . 1 1 1 A 28 28 GLY H H 28 8.516 8.443 0.073 1
1 234 . 1 1 1 A 28 28 GLY CA C 28 44.966 44.492 0.474 1
1 235 . 1 1 1 A 28 28 GLY HA3 H 28 4.102 4.303 -0.201 1
1 236 . 1 1 1 A 28 28 GLY C C 28 173.392 174.157 -0.765 1
1 237 . 1 1 1 A 28 28 GLY HA2 H 28 5.026 4.254 0.772 1
1 238 . 1 1 1 A 29 29 PRO CA C 29 65.446 65.031 0.415 1
1 239 . 1 1 1 A 29 29 PRO HA H 29 4.399 4.430 -0.031 1
1 240 . 1 1 1 A 29 29 PRO CB C 29 31.739 32.068 -0.329 1
1 246 . 1 1 1 A 29 29 PRO C C 29 179.804 178.518 1.286 1
1 250 . 1 1 1 A 30 30 GLY N N 30 103.199 106.037 -2.838 1
1 251 . 1 1 1 A 30 30 GLY H H 30 9.156 8.561 0.595 1
1 252 . 1 1 1 A 30 30 GLY CA C 30 46.458 47.000 -0.542 1
1 253 . 1 1 1 A 30 30 GLY HA3 H 30 3.331 4.422 -1.091 1
1 254 . 1 1 1 A 30 30 GLY C C 30 171.694 174.737 -3.043 1
1 255 . 1 1 1 A 30 30 GLY HA2 H 30 4.062 4.278 -0.216 1
1 256 . 1 1 1 A 31 31 LEU N N 31 116.112 119.687 -3.575 1
1 257 . 1 1 1 A 31 31 LEU H H 31 7.351 7.829 -0.478 1
1 258 . 1 1 1 A 31 31 LEU CA C 31 52.607 54.292 -1.685 1
1 259 . 1 1 1 A 31 31 LEU HA H 31 4.269 4.663 -0.394 1
1 260 . 1 1 1 A 31 31 LEU CB C 31 41.265 42.677 -1.412 1
1 272 . 1 1 1 A 31 31 LEU C C 31 176.751 176.293 0.458 1
1 274 . 1 1 1 A 32 32 SER N N 32 114.056 117.771 -3.715 1
1 275 . 1 1 1 A 32 32 SER H H 32 6.986 7.957 -0.971 1
1 276 . 1 1 1 A 32 32 SER CA C 32 58.750 58.470 0.280 1
1 277 . 1 1 1 A 32 32 SER HA H 32 4.268 4.432 -0.164 1
1 278 . 1 1 1 A 32 32 SER CB C 32 64.571 64.204 0.367 1
1 280 . 1 1 1 A 32 32 SER C C 32 176.483 175.841 0.642 1
1 282 . 1 1 1 A 33 33 SER N N 33 123.249 124.059 -0.810 1
1 283 . 1 1 1 A 33 33 SER H H 33 8.887 9.135 -0.248 1
1 284 . 1 1 1 A 33 33 SER CA C 33 60.176 61.295 -1.119 1
1 285 . 1 1 1 A 33 33 SER HA H 33 4.409 4.325 0.084 1
1 286 . 1 1 1 A 33 33 SER CB C 33 63.098 62.845 0.253 1
1 288 . 1 1 1 A 33 33 SER C C 33 174.922 176.581 -1.659 1
1 290 . 1 1 1 A 34 34 TYR N N 34 120.641 122.486 -1.845 1
1 291 . 1 1 1 A 34 34 TYR H H 34 8.225 8.152 0.073 1
1 292 . 1 1 1 A 34 34 TYR CA C 34 58.266 61.197 -2.931 1
1 293 . 1 1 1 A 34 34 TYR HA H 34 4.622 4.307 0.315 1
1 294 . 1 1 1 A 34 34 TYR CB C 34 38.478 39.148 -0.670 1
1 304 . 1 1 1 A 34 34 TYR C C 34 175.881 176.089 -0.208 1
1 306 . 1 1 1 A 35 35 GLY N N 35 109.142 106.521 2.621 1
1 307 . 1 1 1 A 35 35 GLY H H 35 7.416 7.579 -0.163 1
1 308 . 1 1 1 A 35 35 GLY CA C 35 44.524 44.650 -0.126 1
1 309 . 1 1 1 A 35 35 GLY HA3 H 35 4.411 4.056 0.355 1
1 310 . 1 1 1 A 35 35 GLY C C 35 172.956 172.123 0.833 1
1 311 . 1 1 1 A 35 35 GLY HA2 H 35 4.324 3.943 0.381 1
1 312 . 1 1 1 A 36 36 VAL N N 36 116.841 116.497 0.344 1
1 313 . 1 1 1 A 36 36 VAL H H 36 8.617 8.384 0.233 1
1 314 . 1 1 1 A 36 36 VAL CA C 36 57.700 58.111 -0.411 1
1 315 . 1 1 1 A 36 36 VAL HA H 36 4.880 5.036 -0.156 1
1 316 . 1 1 1 A 36 36 VAL CB C 36 33.474 34.133 -0.659 1
1 326 . 1 1 1 A 36 36 VAL C C 36 173.489 173.470 0.019 1
1 327 . 1 1 1 A 37 37 PRO CA C 37 62.200 62.244 -0.044 1
1 328 . 1 1 1 A 37 37 PRO HA H 37 4.646 4.627 0.019 1
1 329 . 1 1 1 A 37 37 PRO CB C 37 31.876 32.119 -0.243 1
1 335 . 1 1 1 A 37 37 PRO C C 37 177.148 177.345 -0.197 1
1 339 . 1 1 1 A 38 38 ALA N N 38 124.330 124.625 -0.295 1
1 340 . 1 1 1 A 38 38 ALA H H 38 8.591 8.123 0.468 1
1 341 . 1 1 1 A 38 38 ALA CA C 38 52.606 52.968 -0.362 1
1 342 . 1 1 1 A 38 38 ALA HA H 38 4.189 4.127 0.062 1
1 343 . 1 1 1 A 38 38 ALA CB C 38 18.928 19.075 -0.147 1
1 347 . 1 1 1 A 38 38 ALA C C 38 178.418 178.417 0.001 1
1 348 . 1 1 1 A 39 39 SER N N 39 109.435 115.980 -6.545 1
1 349 . 1 1 1 A 39 39 SER H H 39 8.687 8.939 -0.252 1
1 350 . 1 1 1 A 39 39 SER CA C 39 61.147 59.301 1.846 1
1 351 . 1 1 1 A 39 39 SER HA H 39 3.770 4.090 -0.320 1
1 352 . 1 1 1 A 39 39 SER CB C 39 62.322 62.472 -0.150 1
1 354 . 1 1 1 A 39 39 SER C C 39 172.372 172.938 -0.566 1
1 356 . 1 1 1 A 40 40 LEU N N 40 121.668 121.155 0.513 1
1 357 . 1 1 1 A 40 40 LEU H H 40 6.981 7.697 -0.716 1
1 358 . 1 1 1 A 40 40 LEU CA C 40 51.707 51.021 0.686 1
1 359 . 1 1 1 A 40 40 LEU HA H 40 4.890 4.723 0.167 1
1 360 . 1 1 1 A 40 40 LEU CB C 40 43.441 44.951 -1.510 1
1 372 . 1 1 1 A 40 40 LEU C C 40 173.635 175.026 -1.391 1
1 374 . 1 1 1 A 41 41 PRO CA C 41 62.683 62.328 0.355 1
1 375 . 1 1 1 A 41 41 PRO HA H 41 4.490 4.659 -0.169 1
1 376 . 1 1 1 A 41 41 PRO CB C 41 31.415 30.769 0.646 1
1 382 . 1 1 1 A 41 41 PRO C C 41 175.540 175.178 0.362 1
1 386 . 1 1 1 A 42 42 VAL N N 42 124.505 122.623 1.882 1
1 387 . 1 1 1 A 42 42 VAL H H 42 8.917 7.758 1.159 1
1 388 . 1 1 1 A 42 42 VAL CA C 42 60.282 59.412 0.870 1
1 389 . 1 1 1 A 42 42 VAL HA H 42 4.408 4.678 -0.270 1
1 390 . 1 1 1 A 42 42 VAL CB C 42 34.522 34.643 -0.121 1
1 400 . 1 1 1 A 42 42 VAL C C 42 171.180 174.129 -2.949 1
1 401 . 1 1 1 A 43 43 ASP N N 43 121.538 126.543 -5.005 1
1 402 . 1 1 1 A 43 43 ASP H H 43 7.549 9.070 -1.521 1
1 403 . 1 1 1 A 43 43 ASP CA C 43 51.968 52.307 -0.339 1
1 404 . 1 1 1 A 43 43 ASP HA H 43 6.324 5.760 0.564 1
1 405 . 1 1 1 A 43 43 ASP CB C 43 44.949 44.809 0.140 1
1 407 . 1 1 1 A 43 43 ASP C C 43 177.711 174.880 2.831 1
1 409 . 1 1 1 A 44 44 PHE N N 44 112.517 117.370 -4.853 1
1 410 . 1 1 1 A 44 44 PHE H H 44 9.044 7.902 1.142 1
1 411 . 1 1 1 A 44 44 PHE CA C 44 57.658 54.874 2.784 1
1 412 . 1 1 1 A 44 44 PHE HA H 44 5.069 5.501 -0.432 1
1 413 . 1 1 1 A 44 44 PHE CB C 44 41.220 42.105 -0.885 1
1 425 . 1 1 1 A 44 44 PHE C C 44 171.679 173.625 -1.946 1
1 427 . 1 1 1 A 45 45 ALA N N 45 123.935 121.369 2.566 1
1 428 . 1 1 1 A 45 45 ALA H H 45 9.468 9.390 0.078 1
1 429 . 1 1 1 A 45 45 ALA CA C 45 50.855 50.136 0.719 1
1 430 . 1 1 1 A 45 45 ALA HA H 45 5.379 5.326 0.053 1
1 431 . 1 1 1 A 45 45 ALA CB C 45 22.496 22.429 0.067 1
1 435 . 1 1 1 A 45 45 ALA C C 45 176.715 175.963 0.752 1
1 436 . 1 1 1 A 46 46 ILE N N 46 119.530 122.142 -2.612 1
1 437 . 1 1 1 A 46 46 ILE H H 46 8.686 9.395 -0.709 1
1 438 . 1 1 1 A 46 46 ILE CA C 46 59.561 60.934 -1.373 1
1 439 . 1 1 1 A 46 46 ILE HA H 46 4.863 4.740 0.123 1
1 440 . 1 1 1 A 46 46 ILE CB C 46 41.370 39.251 2.119 1
1 452 . 1 1 1 A 46 46 ILE C C 46 174.379 174.199 0.180 1
1 454 . 1 1 1 A 47 47 ASP N N 47 127.143 127.348 -0.205 1
1 455 . 1 1 1 A 47 47 ASP H H 47 9.281 9.172 0.109 1
1 456 . 1 1 1 A 47 47 ASP CA C 47 53.297 53.446 -0.149 1
1 457 . 1 1 1 A 47 47 ASP HA H 47 4.976 5.251 -0.275 1
1 458 . 1 1 1 A 47 47 ASP CB C 47 41.371 42.020 -0.649 1
1 460 . 1 1 1 A 47 47 ASP C C 47 174.962 175.023 -0.061 1
1 462 . 1 1 1 A 48 48 ALA N N 48 129.371 128.888 0.483 1
1 463 . 1 1 1 A 48 48 ALA H H 48 9.078 8.215 0.863 1
1 464 . 1 1 1 A 48 48 ALA CA C 48 50.554 50.737 -0.183 1
1 465 . 1 1 1 A 48 48 ALA HA H 48 4.641 4.944 -0.303 1
1 466 . 1 1 1 A 48 48 ALA CB C 48 19.699 20.518 -0.819 1
1 470 . 1 1 1 A 48 48 ALA C C 48 179.317 176.635 2.682 1
1 471 . 1 1 1 A 49 49 ARG N N 49 122.060 124.575 -2.515 1
1 472 . 1 1 1 A 49 49 ARG H H 49 8.590 8.996 -0.406 1
1 473 . 1 1 1 A 49 49 ARG CA C 49 60.964 57.656 3.308 1
1 474 . 1 1 1 A 49 49 ARG HA H 49 3.987 4.491 -0.504 1
1 475 . 1 1 1 A 49 49 ARG CB C 49 30.654 31.202 -0.548 1
1 483 . 1 1 1 A 49 49 ARG C C 49 178.077 176.512 1.565 1
1 487 . 1 1 1 A 50 50 ASP N N 50 116.664 117.942 -1.278 1
1 488 . 1 1 1 A 50 50 ASP H H 50 8.794 7.963 0.831 1
1 489 . 1 1 1 A 50 50 ASP CA C 50 53.827 52.860 0.967 1
1 490 . 1 1 1 A 50 50 ASP HA H 50 5.040 4.887 0.153 1
1 491 . 1 1 1 A 50 50 ASP CB C 50 41.595 41.104 0.491 1
1 493 . 1 1 1 A 50 50 ASP C C 50 175.754 176.715 -0.961 1
1 495 . 1 1 1 A 51 51 ALA N N 51 121.173 122.491 -1.318 1
1 496 . 1 1 1 A 51 51 ALA H H 51 7.406 7.817 -0.411 1
1 497 . 1 1 1 A 51 51 ALA CA C 51 52.147 52.214 -0.067 1
1 498 . 1 1 1 A 51 51 ALA HA H 51 4.414 4.340 0.074 1
1 499 . 1 1 1 A 51 51 ALA CB C 51 23.427 19.501 3.926 1
1 503 . 1 1 1 A 51 51 ALA C C 51 176.763 178.205 -1.442 1
1 504 . 1 1 1 A 52 52 GLY N N 52 108.187 106.902 1.285 1
1 505 . 1 1 1 A 52 52 GLY H H 52 8.521 7.954 0.567 1
1 506 . 1 1 1 A 52 52 GLY CA C 52 45.210 46.383 -1.173 1
1 507 . 1 1 1 A 52 52 GLY HA3 H 52 3.859 4.089 -0.230 1
1 508 . 1 1 1 A 52 52 GLY C C 52 175.060 173.659 1.401 1
1 509 . 1 1 1 A 52 52 GLY HA2 H 52 4.492 4.042 0.450 1
1 510 . 1 1 1 A 53 53 GLU N N 53 124.810 123.691 1.119 1
1 511 . 1 1 1 A 53 53 GLU H H 53 8.643 8.780 -0.137 1
1 512 . 1 1 1 A 53 53 GLU CA C 53 56.352 55.109 1.243 1
1 513 . 1 1 1 A 53 53 GLU HA H 53 4.663 5.536 -0.873 1
1 514 . 1 1 1 A 53 53 GLU CB C 53 31.164 32.917 -1.753 1
1 518 . 1 1 1 A 53 53 GLU C C 53 173.491 175.589 -2.098 1
1 521 . 1 1 1 A 54 54 GLY N N 54 111.417 112.339 -0.922 1
1 522 . 1 1 1 A 54 54 GLY H H 54 7.465 8.360 -0.895 1
1 523 . 1 1 1 A 54 54 GLY CA C 54 43.622 44.515 -0.893 1
1 524 . 1 1 1 A 54 54 GLY HA3 H 54 2.287 3.841 -1.554 1
1 525 . 1 1 1 A 54 54 GLY C C 54 170.013 171.956 -1.943 1
1 526 . 1 1 1 A 54 54 GLY HA2 H 54 3.819 3.554 0.265 1
1 527 . 1 1 1 A 55 55 LEU N N 55 117.446 124.111 -6.665 1
1 528 . 1 1 1 A 55 55 LEU H H 55 7.461 8.053 -0.592 1
1 529 . 1 1 1 A 55 55 LEU CA C 55 54.041 55.651 -1.610 1
1 530 . 1 1 1 A 55 55 LEU HA H 55 4.293 4.067 0.226 1
1 531 . 1 1 1 A 55 55 LEU CB C 55 42.832 42.363 0.469 1
1 543 . 1 1 1 A 55 55 LEU C C 55 176.872 175.593 1.279 1
1 545 . 1 1 1 A 56 56 LEU N N 56 131.840 128.538 3.302 1
1 546 . 1 1 1 A 56 56 LEU H H 56 8.791 8.393 0.398 1
1 547 . 1 1 1 A 56 56 LEU CA C 56 53.807 54.438 -0.631 1
1 548 . 1 1 1 A 56 56 LEU HA H 56 5.053 4.802 0.251 1
1 549 . 1 1 1 A 56 56 LEU CB C 56 43.113 43.299 -0.186 1
1 561 . 1 1 1 A 56 56 LEU C C 56 175.389 175.575 -0.186 1
1 563 . 1 1 1 A 57 57 ALA N N 57 130.035 127.689 2.346 1
1 564 . 1 1 1 A 57 57 ALA H H 57 8.880 8.414 0.466 1
1 565 . 1 1 1 A 57 57 ALA CA C 57 51.758 51.178 0.580 1
1 566 . 1 1 1 A 57 57 ALA HA H 57 4.641 5.044 -0.403 1
1 567 . 1 1 1 A 57 57 ALA CB C 57 21.820 23.303 -1.483 1
1 571 . 1 1 1 A 57 57 ALA C C 57 174.647 175.304 -0.657 1
1 572 . 1 1 1 A 58 58 VAL N N 58 120.958 119.939 1.019 1
1 573 . 1 1 1 A 58 58 VAL H H 58 8.443 8.863 -0.420 1
1 574 . 1 1 1 A 58 58 VAL CA C 58 60.495 59.392 1.103 1
1 575 . 1 1 1 A 58 58 VAL HA H 58 4.988 5.050 -0.062 1
1 576 . 1 1 1 A 58 58 VAL CB C 58 34.639 35.290 -0.651 1
1 586 . 1 1 1 A 58 58 VAL C C 58 174.646 173.472 1.174 1
1 587 . 1 1 1 A 59 59 GLN N N 59 127.048 126.762 0.286 1
1 588 . 1 1 1 A 59 59 GLN H H 59 9.196 8.975 0.221 1
1 589 . 1 1 1 A 59 59 GLN CA C 59 54.587 54.845 -0.258 1
1 590 . 1 1 1 A 59 59 GLN HA H 59 4.706 5.045 -0.339 1
1 591 . 1 1 1 A 59 59 GLN CB C 59 31.580 31.482 0.098 1
1 598 . 1 1 1 A 59 59 GLN C C 59 174.197 174.219 -0.022 1
1 601 . 1 1 1 A 60 60 ILE N N 60 127.617 127.924 -0.307 1
1 602 . 1 1 1 A 60 60 ILE H H 60 9.299 9.135 0.164 1
1 603 . 1 1 1 A 60 60 ILE CA C 60 60.506 60.387 0.119 1
1 604 . 1 1 1 A 60 60 ILE HA H 60 5.210 4.991 0.219 1
1 605 . 1 1 1 A 60 60 ILE CB C 60 39.172 39.037 0.135 1
1 617 . 1 1 1 A 60 60 ILE C C 60 175.608 175.521 0.087 1
1 619 . 1 1 1 A 61 61 THR N N 61 119.733 117.500 2.233 1
1 620 . 1 1 1 A 61 61 THR H H 61 8.924 8.656 0.268 1
1 621 . 1 1 1 A 61 61 THR CA C 61 59.565 59.357 0.208 1
1 622 . 1 1 1 A 61 61 THR HA H 61 5.173 5.620 -0.447 1
1 623 . 1 1 1 A 61 61 THR CB C 61 72.121 71.442 0.679 1
1 629 . 1 1 1 A 61 61 THR C C 61 174.051 173.926 0.125 1
1 630 . 1 1 1 A 62 62 ASP N N 62 122.337 119.723 2.614 1
1 631 . 1 1 1 A 62 62 ASP H H 62 8.484 8.397 0.087 1
1 632 . 1 1 1 A 62 62 ASP CA C 62 52.200 51.468 0.732 1
1 633 . 1 1 1 A 62 62 ASP HA H 62 4.425 4.519 -0.094 1
1 634 . 1 1 1 A 62 62 ASP CB C 62 42.222 42.227 -0.005 1
1 636 . 1 1 1 A 62 62 ASP C C 62 179.086 177.808 1.278 1
1 638 . 1 1 1 A 63 63 GLN N N 63 118.341 117.459 0.882 1
1 639 . 1 1 1 A 63 63 GLN H H 63 8.250 8.753 -0.503 1
1 640 . 1 1 1 A 63 63 GLN CA C 63 58.406 58.433 -0.027 1
1 641 . 1 1 1 A 63 63 GLN HA H 63 4.049 4.052 -0.003 1
1 642 . 1 1 1 A 63 63 GLN CB C 63 28.127 27.872 0.255 1
1 649 . 1 1 1 A 63 63 GLN C C 63 177.152 177.998 -0.846 1
1 652 . 1 1 1 A 64 64 GLU N N 64 119.134 118.973 0.161 1
1 653 . 1 1 1 A 64 64 GLU H H 64 8.120 7.895 0.225 1
1 654 . 1 1 1 A 64 64 GLU CA C 64 55.790 56.865 -1.075 1
1 655 . 1 1 1 A 64 64 GLU HA H 64 4.423 4.389 0.034 1
1 656 . 1 1 1 A 64 64 GLU CB C 64 30.102 30.339 -0.237 1
1 660 . 1 1 1 A 64 64 GLU C C 64 176.374 176.692 -0.318 1
1 663 . 1 1 1 A 65 65 GLY N N 65 108.728 108.284 0.444 1
1 664 . 1 1 1 A 65 65 GLY H H 65 8.306 8.269 0.037 1
1 665 . 1 1 1 A 65 65 GLY CA C 65 45.285 46.252 -0.967 1
1 666 . 1 1 1 A 65 65 GLY HA3 H 65 3.561 3.935 -0.374 1
1 667 . 1 1 1 A 65 65 GLY C C 65 174.342 174.482 -0.140 1
1 668 . 1 1 1 A 65 65 GLY HA2 H 65 4.203 3.933 0.270 1
1 669 . 1 1 1 A 66 66 LYS N N 66 123.502 119.432 4.070 1
1 670 . 1 1 1 A 66 66 LYS H H 66 8.528 8.195 0.333 1
1 671 . 1 1 1 A 66 66 LYS CA C 66 53.738 53.176 0.562 1
1 672 . 1 1 1 A 66 66 LYS HA H 66 4.613 4.748 -0.135 1
1 673 . 1 1 1 A 66 66 LYS CB C 66 31.167 32.499 -1.332 1
1 681 . 1 1 1 A 66 66 LYS C C 66 174.752 174.289 0.463 1
1 686 . 1 1 1 A 67 67 PRO CA C 67 62.433 62.687 -0.254 1
1 687 . 1 1 1 A 67 67 PRO HA H 67 5.062 4.731 0.331 1
1 688 . 1 1 1 A 67 67 PRO CB C 67 32.725 32.038 0.687 1
1 694 . 1 1 1 A 67 67 PRO C C 67 177.270 176.059 1.211 1
1 698 . 1 1 1 A 68 68 LYS N N 68 121.461 121.615 -0.154 1
1 699 . 1 1 1 A 68 68 LYS H H 68 8.419 8.219 0.200 1
1 700 . 1 1 1 A 68 68 LYS CA C 68 52.023 54.710 -2.687 1
1 701 . 1 1 1 A 68 68 LYS HA H 68 4.797 4.910 -0.113 1
1 702 . 1 1 1 A 68 68 LYS CB C 68 32.611 35.300 -2.689 1
1 710 . 1 1 1 A 68 68 LYS C C 68 175.389 175.461 -0.072 1
1 715 . 1 1 1 A 69 69 ARG N N 69 124.040 123.141 0.899 1
1 716 . 1 1 1 A 69 69 ARG H H 69 8.683 8.646 0.037 1
1 717 . 1 1 1 A 69 69 ARG CA C 69 57.045 56.834 0.211 1
1 718 . 1 1 1 A 69 69 ARG HA H 69 4.221 4.536 -0.315 1
1 719 . 1 1 1 A 69 69 ARG CB C 69 30.712 30.768 -0.056 1
1 725 . 1 1 1 A 69 69 ARG C C 69 174.877 175.133 -0.256 1
1 729 . 1 1 1 A 70 70 ALA N N 70 127.074 126.954 0.120 1
1 730 . 1 1 1 A 70 70 ALA H H 70 8.421 8.497 -0.076 1
1 731 . 1 1 1 A 70 70 ALA CA C 70 50.360 50.767 -0.407 1
1 732 . 1 1 1 A 70 70 ALA HA H 70 4.859 5.169 -0.310 1
1 733 . 1 1 1 A 70 70 ALA CB C 70 20.569 22.048 -1.479 1
1 737 . 1 1 1 A 70 70 ALA C C 70 176.313 175.720 0.593 1
1 738 . 1 1 1 A 71 71 ILE N N 71 124.496 123.399 1.097 1
1 739 . 1 1 1 A 71 71 ILE H H 71 8.943 9.124 -0.181 1
1 740 . 1 1 1 A 71 71 ILE CA C 71 60.870 60.156 0.714 1
1 741 . 1 1 1 A 71 71 ILE HA H 71 4.195 4.624 -0.429 1
1 742 . 1 1 1 A 71 71 ILE CB C 71 38.457 38.862 -0.405 1
1 754 . 1 1 1 A 71 71 ILE C C 71 175.027 175.084 -0.057 1
1 756 . 1 1 1 A 72 72 VAL N N 72 128.410 127.002 1.408 1
1 757 . 1 1 1 A 72 72 VAL H H 72 8.714 8.811 -0.097 1
1 758 . 1 1 1 A 72 72 VAL CA C 72 61.867 59.715 2.152 1
1 759 . 1 1 1 A 72 72 VAL HA H 72 4.478 4.907 -0.429 1
1 760 . 1 1 1 A 72 72 VAL CB C 72 32.745 34.290 -1.545 1
1 770 . 1 1 1 A 72 72 VAL C C 72 175.279 173.499 1.780 1
1 771 . 1 1 1 A 73 73 HIS N N 73 129.084 128.102 0.982 1
1 772 . 1 1 1 A 73 73 HIS H H 73 9.783 9.068 0.715 1
1 773 . 1 1 1 A 73 73 HIS CA C 73 55.366 54.125 1.241 1
1 774 . 1 1 1 A 73 73 HIS HA H 73 4.849 5.250 -0.401 1
1 775 . 1 1 1 A 73 73 HIS CB C 73 31.465 32.193 -0.728 1
1 781 . 1 1 1 A 73 73 HIS C C 73 173.491 173.670 -0.179 1
1 783 . 1 1 1 A 74 74 ASP N N 74 127.118 124.615 2.503 1
1 784 . 1 1 1 A 74 74 ASP H H 74 8.541 8.875 -0.334 1
1 785 . 1 1 1 A 74 74 ASP CA C 74 53.048 52.986 0.062 1
1 786 . 1 1 1 A 74 74 ASP HA H 74 4.476 4.878 -0.402 1
1 787 . 1 1 1 A 74 74 ASP CB C 74 41.554 42.367 -0.813 1
1 789 . 1 1 1 A 74 74 ASP C C 74 175.936 175.896 0.040 1
1 791 . 1 1 1 A 75 75 ASN N N 75 124.002 124.228 -0.226 1
1 792 . 1 1 1 A 75 75 ASN H H 75 7.827 8.726 -0.899 1
1 793 . 1 1 1 A 75 75 ASN CA C 75 54.517 52.935 1.582 1
1 794 . 1 1 1 A 75 75 ASN HA H 75 4.572 4.938 -0.366 1
1 795 . 1 1 1 A 75 75 ASN CB C 75 38.091 39.843 -1.752 1
1 800 . 1 1 1 A 75 75 ASN C C 75 175.352 174.868 0.484 1
1 802 . 1 1 1 A 76 76 LYS N N 76 114.689 115.471 -0.782 1
1 803 . 1 1 1 A 76 76 LYS H H 76 9.246 7.751 1.495 1
1 804 . 1 1 1 A 76 76 LYS CA C 76 57.428 57.212 0.216 1
1 805 . 1 1 1 A 76 76 LYS HA H 76 3.882 3.831 0.051 1
1 806 . 1 1 1 A 76 76 LYS CB C 76 28.223 29.066 -0.843 1
1 814 . 1 1 1 A 76 76 LYS C C 76 174.975 174.934 0.041 1
1 819 . 1 1 1 A 77 77 ASP N N 77 117.462 118.719 -1.257 1
1 820 . 1 1 1 A 77 77 ASP H H 77 7.831 7.886 -0.055 1
1 821 . 1 1 1 A 77 77 ASP CA C 77 52.168 53.048 -0.880 1
1 822 . 1 1 1 A 77 77 ASP HA H 77 4.706 4.809 -0.103 1
1 823 . 1 1 1 A 77 77 ASP CB C 77 41.224 41.137 0.087 1
1 825 . 1 1 1 A 77 77 ASP C C 77 176.739 176.099 0.640 1
1 827 . 1 1 1 A 78 78 GLY N N 78 109.485 108.034 1.451 1
1 828 . 1 1 1 A 78 78 GLY H H 78 8.658 8.629 0.029 1
1 829 . 1 1 1 A 78 78 GLY CA C 78 45.568 45.641 -0.073 1
1 830 . 1 1 1 A 78 78 GLY HA3 H 78 3.698 3.847 -0.149 1
1 831 . 1 1 1 A 78 78 GLY C C 78 172.263 173.384 -1.121 1
1 832 . 1 1 1 A 78 78 GLY HA2 H 78 4.323 3.828 0.495 1
1 833 . 1 1 1 A 79 79 THR N N 79 109.462 109.853 -0.391 1
1 834 . 1 1 1 A 79 79 THR H H 79 8.057 7.267 0.790 1
1 835 . 1 1 1 A 79 79 THR CA C 79 59.989 59.733 0.256 1
1 836 . 1 1 1 A 79 79 THR HA H 79 5.566 5.248 0.318 1
1 837 . 1 1 1 A 79 79 THR CB C 79 72.712 72.905 -0.193 1
1 843 . 1 1 1 A 79 79 THR C C 79 173.868 171.993 1.875 1
1 844 . 1 1 1 A 80 80 TYR N N 80 116.428 119.608 -3.180 1
1 845 . 1 1 1 A 80 80 TYR H H 80 9.085 8.651 0.434 1
1 846 . 1 1 1 A 80 80 TYR CA C 80 56.533 56.417 0.116 1
1 847 . 1 1 1 A 80 80 TYR HA H 80 5.372 5.196 0.176 1
1 848 . 1 1 1 A 80 80 TYR CB C 80 42.831 42.648 0.183 1
1 858 . 1 1 1 A 80 80 TYR C C 80 175.327 174.769 0.558 1
1 860 . 1 1 1 A 81 81 ALA N N 81 126.743 126.358 0.385 1
1 861 . 1 1 1 A 81 81 ALA H H 81 9.302 8.720 0.582 1
1 862 . 1 1 1 A 81 81 ALA CA C 81 51.121 49.936 1.185 1
1 863 . 1 1 1 A 81 81 ALA HA H 81 5.149 5.496 -0.347 1
1 864 . 1 1 1 A 81 81 ALA CB C 81 22.111 22.835 -0.724 1
1 868 . 1 1 1 A 81 81 ALA C C 81 175.505 176.095 -0.590 1
1 869 . 1 1 1 A 82 82 VAL N N 82 124.472 120.156 4.316 1
1 870 . 1 1 1 A 82 82 VAL H H 82 8.940 7.918 1.022 1
1 871 . 1 1 1 A 82 82 VAL CA C 82 60.264 60.972 -0.708 1
1 872 . 1 1 1 A 82 82 VAL HA H 82 5.039 4.657 0.382 1
1 873 . 1 1 1 A 82 82 VAL CB C 82 33.236 34.540 -1.304 1
1 883 . 1 1 1 A 82 82 VAL C C 82 174.517 174.261 0.256 1
1 884 . 1 1 1 A 83 83 THR N N 83 121.500 122.944 -1.444 1
1 885 . 1 1 1 A 83 83 THR H H 83 8.717 8.507 0.210 1
1 886 . 1 1 1 A 83 83 THR CA C 83 61.075 62.352 -1.277 1
1 887 . 1 1 1 A 83 83 THR HA H 83 5.497 5.195 0.302 1
1 888 . 1 1 1 A 83 83 THR CB C 83 72.153 70.751 1.402 1
1 894 . 1 1 1 A 83 83 THR C C 83 173.515 173.641 -0.126 1
1 895 . 1 1 1 A 84 84 TYR N N 84 122.841 121.445 1.396 1
1 896 . 1 1 1 A 84 84 TYR H H 84 9.014 9.105 -0.091 1
1 897 . 1 1 1 A 84 84 TYR CA C 84 55.985 55.721 0.264 1
1 898 . 1 1 1 A 84 84 TYR HA H 84 4.979 5.343 -0.364 1
1 899 . 1 1 1 A 84 84 TYR CB C 84 41.967 41.601 0.366 1
1 909 . 1 1 1 A 84 84 TYR C C 84 171.873 173.005 -1.132 1
1 911 . 1 1 1 A 85 85 ILE N N 85 118.254 123.977 -5.723 1
1 912 . 1 1 1 A 85 85 ILE H H 85 8.805 8.858 -0.053 1
1 913 . 1 1 1 A 85 85 ILE CA C 85 57.883 58.029 -0.146 1
1 914 . 1 1 1 A 85 85 ILE HA H 85 4.550 4.565 -0.015 1
1 915 . 1 1 1 A 85 85 ILE CB C 85 40.179 38.548 1.631 1
1 927 . 1 1 1 A 85 85 ILE C C 85 174.339 174.817 -0.478 1
1 929 . 1 1 1 A 86 86 PRO CA C 86 61.414 62.363 -0.949 1
1 930 . 1 1 1 A 86 86 PRO HA H 86 4.436 4.696 -0.260 1
1 931 . 1 1 1 A 86 86 PRO CB C 86 30.107 30.708 -0.601 1
1 937 . 1 1 1 A 86 86 PRO C C 86 175.126 176.827 -1.701 1
1 941 . 1 1 1 A 87 87 ASP N N 87 123.447 122.812 0.635 1
1 942 . 1 1 1 A 87 87 ASP H H 87 8.501 8.536 -0.035 1
1 943 . 1 1 1 A 87 87 ASP CA C 87 55.668 57.579 -1.911 1
1 944 . 1 1 1 A 87 87 ASP HA H 87 4.263 4.574 -0.311 1
1 945 . 1 1 1 A 87 87 ASP CB C 87 40.930 41.428 -0.498 1
1 947 . 1 1 1 A 87 87 ASP C C 87 175.182 176.981 -1.799 1
1 949 . 1 1 1 A 88 88 LYS N N 88 116.947 119.017 -2.070 1
1 950 . 1 1 1 A 88 88 LYS H H 88 7.683 7.736 -0.053 1
1 951 . 1 1 1 A 88 88 LYS CA C 88 54.995 55.545 -0.550 1
1 952 . 1 1 1 A 88 88 LYS HA H 88 4.588 4.485 0.103 1
1 953 . 1 1 1 A 88 88 LYS CB C 88 34.821 32.979 1.842 1
1 961 . 1 1 1 A 88 88 LYS C C 88 177.529 176.176 1.353 1
1 966 . 1 1 1 A 89 89 THR N N 89 114.134 122.182 -8.048 1
1 967 . 1 1 1 A 89 89 THR H H 89 8.588 8.781 -0.193 1
1 968 . 1 1 1 A 89 89 THR CA C 89 62.828 63.298 -0.470 1
1 969 . 1 1 1 A 89 89 THR HA H 89 4.083 4.485 -0.402 1
1 970 . 1 1 1 A 89 89 THR CB C 89 69.590 69.399 0.191 1
1 976 . 1 1 1 A 89 89 THR C C 89 174.269 174.268 0.001 1
1 977 . 1 1 1 A 90 90 GLY N N 90 109.440 112.356 -2.916 1
1 978 . 1 1 1 A 90 90 GLY H H 90 8.444 8.656 -0.212 1
1 979 . 1 1 1 A 90 90 GLY CA C 90 44.648 43.845 0.803 1
1 980 . 1 1 1 A 90 90 GLY HA3 H 90 4.467 4.130 0.337 1
1 981 . 1 1 1 A 90 90 GLY C C 90 172.469 172.324 0.145 1
1 982 . 1 1 1 A 90 90 GLY HA2 H 90 3.908 4.043 -0.135 1
1 983 . 1 1 1 A 91 91 ARG N N 91 120.781 120.892 -0.111 1
1 984 . 1 1 1 A 91 91 ARG H H 91 8.271 8.226 0.045 1
1 985 . 1 1 1 A 91 91 ARG CA C 91 56.178 56.623 -0.445 1
1 986 . 1 1 1 A 91 91 ARG HA H 91 4.951 4.312 0.639 1
1 987 . 1 1 1 A 91 91 ARG CB C 91 31.986 30.849 1.137 1
1 993 . 1 1 1 A 91 91 ARG C C 91 175.711 175.111 0.600 1
1 997 . 1 1 1 A 92 92 TYR N N 92 122.381 127.118 -4.737 1
1 998 . 1 1 1 A 92 92 TYR H H 92 9.312 8.859 0.453 1
1 999 . 1 1 1 A 92 92 TYR CA C 92 56.886 57.111 -0.225 1
1 1000 . 1 1 1 A 92 92 TYR HA H 92 4.960 5.121 -0.161 1
1 1001 . 1 1 1 A 92 92 TYR CB C 92 41.223 40.596 0.627 1
1 1011 . 1 1 1 A 92 92 TYR C C 92 174.902 174.620 0.282 1
1 1013 . 1 1 1 A 93 93 MET N N 93 121.210 124.403 -3.193 1
1 1014 . 1 1 1 A 93 93 MET H H 93 8.819 8.566 0.253 1
1 1015 . 1 1 1 A 93 93 MET CA C 93 53.745 53.901 -0.156 1
1 1016 . 1 1 1 A 93 93 MET HA H 93 5.346 5.475 -0.129 1
1 1017 . 1 1 1 A 93 93 MET CB C 93 34.220 34.652 -0.432 1
1 1025 . 1 1 1 A 93 93 MET C C 93 175.365 174.548 0.817 1
1 1028 . 1 1 1 A 94 94 ILE N N 94 125.747 126.684 -0.937 1
1 1029 . 1 1 1 A 94 94 ILE H H 94 9.372 8.913 0.459 1
1 1030 . 1 1 1 A 94 94 ILE CA C 94 60.685 59.602 1.083 1
1 1031 . 1 1 1 A 94 94 ILE HA H 94 4.606 5.073 -0.467 1
1 1032 . 1 1 1 A 94 94 ILE CB C 94 39.188 39.301 -0.113 1
1 1044 . 1 1 1 A 94 94 ILE C C 94 174.987 175.363 -0.376 1
1 1046 . 1 1 1 A 95 95 GLY N N 95 116.553 115.218 1.335 1
1 1047 . 1 1 1 A 95 95 GLY H H 95 9.509 8.880 0.629 1
1 1048 . 1 1 1 A 95 95 GLY CA C 95 44.507 45.363 -0.856 1
1 1049 . 1 1 1 A 95 95 GLY HA3 H 95 3.605 4.176 -0.571 1
1 1050 . 1 1 1 A 95 95 GLY C C 95 173.175 172.401 0.774 1
1 1051 . 1 1 1 A 95 95 GLY HA2 H 95 4.606 4.152 0.454 1
1 1052 . 1 1 1 A 96 96 VAL N N 96 127.036 127.523 -0.487 1
1 1053 . 1 1 1 A 96 96 VAL H H 96 9.299 8.661 0.638 1
1 1054 . 1 1 1 A 96 96 VAL CA C 96 61.308 62.530 -1.222 1
1 1055 . 1 1 1 A 96 96 VAL HA H 96 4.889 4.589 0.300 1
1 1056 . 1 1 1 A 96 96 VAL CB C 96 34.145 32.494 1.651 1
1 1066 . 1 1 1 A 96 96 VAL C C 96 174.354 175.218 -0.864 1
1 1067 . 1 1 1 A 97 97 THR N N 97 115.219 116.996 -1.777 1
1 1068 . 1 1 1 A 97 97 THR H H 97 9.018 8.411 0.607 1
1 1069 . 1 1 1 A 97 97 THR CA C 97 57.826 60.548 -2.722 1
1 1070 . 1 1 1 A 97 97 THR HA H 97 5.265 5.119 0.146 1
1 1071 . 1 1 1 A 97 97 THR CB C 97 72.753 71.894 0.859 1
1 1077 . 1 1 1 A 97 97 THR C C 97 173.175 172.341 0.834 1
1 1078 . 1 1 1 A 98 98 TYR N N 98 122.768 123.414 -0.646 1
1 1079 . 1 1 1 A 98 98 TYR H H 98 9.149 9.513 -0.364 1
1 1080 . 1 1 1 A 98 98 TYR CA C 98 57.488 57.274 0.214 1
1 1081 . 1 1 1 A 98 98 TYR HA H 98 5.077 5.026 0.051 1
1 1082 . 1 1 1 A 98 98 TYR CB C 98 43.122 41.601 1.521 1
1 1092 . 1 1 1 A 98 98 TYR C C 98 175.949 175.601 0.348 1
1 1094 . 1 1 1 A 99 99 GLY N N 99 113.994 115.184 -1.190 1
1 1095 . 1 1 1 A 99 99 GLY H H 99 8.402 9.213 -0.811 1
1 1096 . 1 1 1 A 99 99 GLY CA C 99 45.010 46.623 -1.613 1
1 1097 . 1 1 1 A 99 99 GLY HA3 H 99 2.623 3.508 -0.885 1
1 1098 . 1 1 1 A 99 99 GLY C C 99 174.197 175.250 -1.053 1
1 1099 . 1 1 1 A 99 99 GLY HA2 H 99 3.220 3.343 -0.123 1
1 1100 . 1 1 1 A 100 100 GLY N N 100 103.115 106.111 -2.996 1
1 1101 . 1 1 1 A 100 100 GLY H H 100 8.288 8.627 -0.339 1
1 1102 . 1 1 1 A 100 100 GLY CA C 100 44.170 46.543 -2.373 1
1 1103 . 1 1 1 A 100 100 GLY HA3 H 100 4.265 3.902 0.363 1
1 1104 . 1 1 1 A 100 100 GLY C C 100 173.054 173.384 -0.330 1
1 1105 . 1 1 1 A 100 100 GLY HA2 H 100 3.284 3.898 -0.614 1
1 1106 . 1 1 1 A 101 101 ASP N N 101 120.566 119.653 0.913 1
1 1107 . 1 1 1 A 101 101 ASP H H 101 7.245 7.945 -0.700 1
1 1108 . 1 1 1 A 101 101 ASP CA C 101 52.908 53.210 -0.302 1
1 1109 . 1 1 1 A 101 101 ASP HA H 101 5.012 5.171 -0.159 1
1 1110 . 1 1 1 A 101 101 ASP CB C 101 42.831 44.254 -1.423 1
1 1112 . 1 1 1 A 101 101 ASP C C 101 175.182 175.248 -0.066 1
1 1114 . 1 1 1 A 102 102 ASP N N 102 122.668 125.383 -2.715 1
1 1115 . 1 1 1 A 102 102 ASP H H 102 8.597 8.948 -0.351 1
1 1116 . 1 1 1 A 102 102 ASP CA C 102 56.233 54.198 2.035 1
1 1117 . 1 1 1 A 102 102 ASP HA H 102 4.667 4.915 -0.248 1
1 1118 . 1 1 1 A 102 102 ASP CB C 102 42.373 41.308 1.065 1
1 1120 . 1 1 1 A 102 102 ASP C C 102 176.970 176.145 0.825 1
1 1122 . 1 1 1 A 103 103 ILE N N 103 117.672 118.544 -0.872 1
1 1123 . 1 1 1 A 103 103 ILE H H 103 7.887 8.425 -0.538 1
1 1124 . 1 1 1 A 103 103 ILE CA C 103 61.025 59.590 1.435 1
1 1125 . 1 1 1 A 103 103 ILE HA H 103 4.526 4.621 -0.095 1
1 1126 . 1 1 1 A 103 103 ILE CB C 103 35.534 37.609 -2.075 1
1 1138 . 1 1 1 A 103 103 ILE C C 103 173.902 176.466 -2.564 1
1 1140 . 1 1 1 A 104 104 PRO CA C 104 66.456 64.319 2.137 1
1 1141 . 1 1 1 A 104 104 PRO HA H 104 4.177 4.536 -0.359 1
1 1142 . 1 1 1 A 104 104 PRO CB C 104 31.709 31.536 0.173 1
1 1151 . 1 1 1 A 105 105 LEU N N 105 115.386 117.720 -2.334 1
1 1152 . 1 1 1 A 105 105 LEU H H 105 8.464 8.031 0.433 1
1 1153 . 1 1 1 A 105 105 LEU CA C 105 55.294 56.452 -1.158 1
1 1154 . 1 1 1 A 105 105 LEU HA H 105 3.845 4.218 -0.373 1
1 1155 . 1 1 1 A 105 105 LEU CB C 105 39.148 43.092 -3.944 1
1 1168 . 1 1 1 A 106 106 SER N N 106 111.669 115.260 -3.591 1
1 1169 . 1 1 1 A 106 106 SER H H 106 7.338 7.617 -0.279 1
1 1170 . 1 1 1 A 106 106 SER CA C 106 54.750 57.374 -2.624 1
1 1171 . 1 1 1 A 106 106 SER HA H 106 4.347 4.657 -0.310 1
1 1172 . 1 1 1 A 106 106 SER CB C 106 64.133 62.627 1.506 1
1 1175 . 1 1 1 A 107 107 PRO CA C 107 62.344 62.468 -0.124 1
1 1176 . 1 1 1 A 107 107 PRO HA H 107 5.323 4.936 0.387 1
1 1177 . 1 1 1 A 107 107 PRO CB C 107 33.977 32.941 1.036 1
1 1183 . 1 1 1 A 107 107 PRO C C 107 176.003 174.753 1.250 1
1 1187 . 1 1 1 A 108 108 TYR N N 108 122.832 119.190 3.642 1
1 1188 . 1 1 1 A 108 108 TYR H H 108 9.294 8.335 0.959 1
1 1189 . 1 1 1 A 108 108 TYR CA C 108 57.629 56.570 1.059 1
1 1190 . 1 1 1 A 108 108 TYR HA H 108 4.428 5.050 -0.622 1
1 1191 . 1 1 1 A 108 108 TYR CB C 108 40.091 41.731 -1.640 1
1 1201 . 1 1 1 A 108 108 TYR C C 108 175.851 174.941 0.910 1
1 1203 . 1 1 1 A 109 109 ARG N N 109 122.941 122.700 0.241 1
1 1204 . 1 1 1 A 109 109 ARG H H 109 8.746 8.767 -0.021 1
1 1205 . 1 1 1 A 109 109 ARG CA C 109 55.259 55.703 -0.444 1
1 1206 . 1 1 1 A 109 109 ARG HA H 109 5.189 4.833 0.356 1
1 1207 . 1 1 1 A 109 109 ARG CB C 109 30.879 31.046 -0.167 1
1 1213 . 1 1 1 A 109 109 ARG C C 109 175.522 175.370 0.152 1
1 1217 . 1 1 1 A 110 110 ILE N N 110 125.109 124.248 0.861 1
1 1218 . 1 1 1 A 110 110 ILE H H 110 8.742 8.641 0.101 1
1 1219 . 1 1 1 A 110 110 ILE CA C 110 57.577 59.346 -1.769 1
1 1220 . 1 1 1 A 110 110 ILE HA H 110 4.758 4.932 -0.174 1
1 1221 . 1 1 1 A 110 110 ILE CB C 110 41.138 42.434 -1.296 1
1 1233 . 1 1 1 A 110 110 ILE C C 110 175.121 174.934 0.187 1
1 1235 . 1 1 1 A 111 111 ARG N N 111 125.357 124.688 0.669 1
1 1236 . 1 1 1 A 111 111 ARG H H 111 8.776 8.838 -0.062 1
1 1237 . 1 1 1 A 111 111 ARG CA C 111 54.730 54.154 0.576 1
1 1238 . 1 1 1 A 111 111 ARG HA H 111 5.053 5.105 -0.052 1
1 1239 . 1 1 1 A 111 111 ARG CB C 111 32.685 32.334 0.351 1
1 1245 . 1 1 1 A 111 111 ARG C C 111 174.163 175.024 -0.861 1
1 1249 . 1 1 1 A 112 112 ALA N N 112 127.119 127.975 -0.856 1
1 1250 . 1 1 1 A 112 112 ALA H H 112 9.208 8.891 0.317 1
1 1251 . 1 1 1 A 112 112 ALA CA C 112 49.945 51.679 -1.734 1
1 1252 . 1 1 1 A 112 112 ALA HA H 112 5.851 4.781 1.070 1
1 1253 . 1 1 1 A 112 112 ALA CB C 112 21.329 19.458 1.871 1
1 1257 . 1 1 1 A 112 112 ALA C C 112 178.853 176.745 2.108 1
1 1258 . 1 1 1 A 113 113 THR N N 113 116.033 116.700 -0.667 1
1 1259 . 1 1 1 A 113 113 THR H H 113 8.995 8.953 0.042 1
1 1260 . 1 1 1 A 113 113 THR CA C 113 60.312 61.713 -1.401 1
1 1261 . 1 1 1 A 113 113 THR HA H 113 4.695 4.504 0.191 1
1 1262 . 1 1 1 A 113 113 THR CB C 113 71.251 69.007 2.244 1
1 1268 . 1 1 1 A 113 113 THR C C 113 173.710 174.435 -0.725 1
1 1269 . 1 1 1 A 114 114 GLN N N 114 122.122 124.699 -2.577 1
1 1270 . 1 1 1 A 114 114 GLN H H 114 8.753 8.719 0.034 1
1 1271 . 1 1 1 A 114 114 GLN CA C 114 55.817 54.155 1.662 1
1 1272 . 1 1 1 A 114 114 GLN HA H 114 4.570 5.187 -0.617 1
1 1273 . 1 1 1 A 114 114 GLN CB C 114 30.106 31.663 -1.557 1
1 1280 . 1 1 1 A 114 114 GLN C C 114 176.106 175.236 0.870 1
1 1283 . 1 1 1 A 115 115 THR N N 115 117.345 110.345 7.000 1
1 1284 . 1 1 1 A 115 115 THR H H 115 8.493 8.517 -0.024 1
1 1285 . 1 1 1 A 115 115 THR CA C 115 62.328 59.779 2.549 1
1 1286 . 1 1 1 A 115 115 THR HA H 115 4.351 4.973 -0.622 1
1 1287 . 1 1 1 A 115 115 THR CB C 115 69.874 71.823 -1.949 1
1 1293 . 1 1 1 A 115 115 THR C C 115 175.158 174.608 0.550 1
1 1294 . 1 1 1 A 116 116 GLY N N 116 111.927 111.360 0.567 1
1 1295 . 1 1 1 A 116 116 GLY H H 116 8.559 8.502 0.057 1
1 1296 . 1 1 1 A 116 116 GLY CA C 116 45.315 46.781 -1.466 1
1 1297 . 1 1 1 A 116 116 GLY HA3 H 116 3.934 3.857 0.077 1
1 1298 . 1 1 1 A 116 116 GLY C C 116 173.820 174.857 -1.037 1
1 1299 . 1 1 1 A 116 116 GLY HA2 H 116 4.030 3.856 0.174 1
1 1300 . 1 1 1 A 117 117 ASP N N 117 120.643 122.775 -2.132 1
1 1301 . 1 1 1 A 117 117 ASP H H 117 8.208 8.829 -0.621 1
1 1302 . 1 1 1 A 117 117 ASP CA C 117 54.393 54.996 -0.603 1
1 1303 . 1 1 1 A 117 117 ASP HA H 117 4.615 4.225 0.390 1
1 1304 . 1 1 1 A 117 117 ASP CB C 117 41.388 39.288 2.100 1
1 1306 . 1 1 1 A 117 117 ASP C C 117 175.973 175.563 0.410 1
1 1308 . 1 1 1 A 118 118 ALA N N 118 124.934 119.481 5.453 1
1 1309 . 1 1 1 A 118 118 ALA H H 118 8.312 7.733 0.579 1
1 1310 . 1 1 1 A 118 118 ALA CA C 118 52.447 52.596 -0.149 1
1 1311 . 1 1 1 A 118 118 ALA HA H 118 4.415 4.438 -0.023 1
1 1312 . 1 1 1 A 118 118 ALA CB C 118 19.339 19.809 -0.470 1
1 1316 . 1 1 1 A 118 118 ALA C C 118 176.848 176.626 0.222 1
1 1 . 2 1 1 A 9 9 SER HA H 9 4.733 5.180 -0.447 1
1 2 . 2 1 1 A 10 10 PRO CA C 10 63.335 62.858 0.477 1
1 3 . 2 1 1 A 10 10 PRO HA H 10 4.399 4.765 -0.366 1
1 4 . 2 1 1 A 10 10 PRO CB C 10 31.938 31.610 0.328 1
1 10 . 2 1 1 A 10 10 PRO C C 10 176.442 175.639 0.803 1
1 14 . 2 1 1 A 11 11 PHE N N 11 119.801 123.988 -4.187 1
1 15 . 2 1 1 A 11 11 PHE H H 11 8.036 8.750 -0.714 1
1 16 . 2 1 1 A 11 11 PHE CA C 11 57.505 57.951 -0.446 1
1 17 . 2 1 1 A 11 11 PHE HA H 11 4.606 4.965 -0.359 1
1 18 . 2 1 1 A 11 11 PHE CB C 11 39.592 42.607 -3.015 1
1 30 . 2 1 1 A 11 11 PHE C C 11 175.401 173.406 1.995 1
1 32 . 2 1 1 A 12 12 LYS N N 12 123.563 126.066 -2.503 1
1 33 . 2 1 1 A 12 12 LYS H H 12 8.112 8.215 -0.103 1
1 34 . 2 1 1 A 12 12 LYS CA C 12 56.175 55.324 0.851 1
1 35 . 2 1 1 A 12 12 LYS HA H 12 4.322 4.310 0.012 1
1 36 . 2 1 1 A 12 12 LYS CB C 12 33.352 36.380 -3.028 1
1 44 . 2 1 1 A 12 12 LYS C C 12 175.802 174.666 1.136 1
1 49 . 2 1 1 A 13 13 VAL N N 13 122.071 123.276 -1.205 1
1 50 . 2 1 1 A 13 13 VAL H H 13 8.080 8.582 -0.502 1
1 51 . 2 1 1 A 13 13 VAL CA C 13 62.280 63.357 -1.077 1
1 52 . 2 1 1 A 13 13 VAL HA H 13 4.036 3.914 0.122 1
1 53 . 2 1 1 A 13 13 VAL CB C 13 32.895 31.980 0.915 1
1 63 . 2 1 1 A 13 13 VAL C C 13 175.814 175.394 0.420 1
1 64 . 2 1 1 A 14 14 LYS N N 14 125.874 126.620 -0.746 1
1 65 . 2 1 1 A 14 14 LYS H H 14 8.392 8.524 -0.132 1
1 66 . 2 1 1 A 14 14 LYS CA C 14 56.250 55.023 1.227 1
1 67 . 2 1 1 A 14 14 LYS HA H 14 4.322 4.775 -0.453 1
1 68 . 2 1 1 A 14 14 LYS CB C 14 33.193 33.603 -0.410 1
1 73 . 2 1 1 A 14 14 LYS C C 14 175.973 175.409 0.564 1
1 75 . 2 1 1 A 15 15 VAL N N 15 123.129 120.902 2.227 1
1 76 . 2 1 1 A 15 15 VAL H H 15 8.204 8.758 -0.554 1
1 77 . 2 1 1 A 15 15 VAL CA C 15 62.033 59.211 2.822 1
1 78 . 2 1 1 A 15 15 VAL HA H 15 4.100 4.796 -0.696 1
1 79 . 2 1 1 A 15 15 VAL CB C 15 32.858 35.361 -2.503 1
1 89 . 2 1 1 A 15 15 VAL C C 15 175.717 175.172 0.545 1
1 90 . 2 1 1 A 16 16 LEU N N 16 127.971 125.573 2.398 1
1 91 . 2 1 1 A 16 16 LEU H H 16 8.378 8.490 -0.112 1
1 92 . 2 1 1 A 16 16 LEU CA C 16 52.885 53.922 -1.037 1
1 93 . 2 1 1 A 16 16 LEU HA H 16 4.624 4.394 0.230 1
1 94 . 2 1 1 A 16 16 LEU CB C 16 41.706 41.579 0.127 1
1 106 . 2 1 1 A 16 16 LEU C C 16 175.092 174.843 0.249 1
1 108 . 2 1 1 A 17 17 PRO CA C 17 62.704 62.422 0.282 1
1 109 . 2 1 1 A 17 17 PRO HA H 17 4.556 4.637 -0.081 1
1 110 . 2 1 1 A 17 17 PRO CB C 17 32.293 32.789 -0.496 1
1 116 . 2 1 1 A 17 17 PRO C C 17 177.319 176.660 0.659 1
1 120 . 2 1 1 A 18 18 THR N N 18 112.726 113.635 -0.909 1
1 121 . 2 1 1 A 18 18 THR H H 18 8.497 8.671 -0.174 1
1 122 . 2 1 1 A 18 18 THR CA C 18 62.335 63.307 -0.972 1
1 123 . 2 1 1 A 18 18 THR HA H 18 4.352 4.385 -0.033 1
1 124 . 2 1 1 A 18 18 THR CB C 18 69.700 69.427 0.273 1
1 130 . 2 1 1 A 18 18 THR C C 18 173.418 174.684 -1.266 1
1 131 . 2 1 1 A 19 19 TYR N N 19 118.883 120.309 -1.426 1
1 132 . 2 1 1 A 19 19 TYR H H 19 7.244 7.735 -0.491 1
1 133 . 2 1 1 A 19 19 TYR CA C 19 55.270 58.103 -2.833 1
1 134 . 2 1 1 A 19 19 TYR HA H 19 5.404 4.534 0.870 1
1 135 . 2 1 1 A 19 19 TYR CB C 19 40.974 39.677 1.297 1
1 145 . 2 1 1 A 19 19 TYR C C 19 174.318 175.274 -0.956 1
1 147 . 2 1 1 A 20 20 ASP N N 20 118.193 119.890 -1.697 1
1 148 . 2 1 1 A 20 20 ASP H H 20 8.686 9.007 -0.321 1
1 149 . 2 1 1 A 20 20 ASP CA C 20 53.226 53.361 -0.135 1
1 150 . 2 1 1 A 20 20 ASP HA H 20 4.539 5.146 -0.607 1
1 151 . 2 1 1 A 20 20 ASP CB C 20 41.490 43.444 -1.954 1
1 153 . 2 1 1 A 20 20 ASP C C 20 176.349 176.216 0.133 1
1 155 . 2 1 1 A 21 21 ALA N N 21 127.255 128.432 -1.177 1
1 156 . 2 1 1 A 21 21 ALA H H 21 9.404 9.203 0.201 1
1 157 . 2 1 1 A 21 21 ALA CA C 21 55.157 55.516 -0.359 1
1 158 . 2 1 1 A 21 21 ALA HA H 21 4.204 4.022 0.182 1
1 159 . 2 1 1 A 21 21 ALA CB C 21 19.890 18.294 1.596 1
1 163 . 2 1 1 A 21 21 ALA C C 21 178.113 179.680 -1.567 1
1 164 . 2 1 1 A 22 22 SER N N 22 110.959 113.973 -3.014 1
1 165 . 2 1 1 A 22 22 SER H H 22 8.397 8.014 0.383 1
1 166 . 2 1 1 A 22 22 SER CA C 22 60.794 61.447 -0.653 1
1 167 . 2 1 1 A 22 22 SER HA H 22 4.363 4.254 0.109 1
1 168 . 2 1 1 A 22 22 SER CB C 22 62.850 63.154 -0.304 1
1 170 . 2 1 1 A 22 22 SER C C 22 175.425 175.647 -0.222 1
1 172 . 2 1 1 A 23 23 LYS N N 23 119.671 116.880 2.791 1
1 173 . 2 1 1 A 23 23 LYS H H 23 7.366 7.333 0.033 1
1 174 . 2 1 1 A 23 23 LYS CA C 23 54.818 56.407 -1.589 1
1 175 . 2 1 1 A 23 23 LYS HA H 23 4.368 4.272 0.096 1
1 176 . 2 1 1 A 23 23 LYS CB C 23 33.063 32.719 0.344 1
1 184 . 2 1 1 A 23 23 LYS C C 23 176.544 174.940 1.604 1
1 189 . 2 1 1 A 24 24 VAL N N 24 123.377 120.347 3.030 1
1 190 . 2 1 1 A 24 24 VAL H H 24 7.392 7.912 -0.520 1
1 191 . 2 1 1 A 24 24 VAL CA C 24 62.722 61.398 1.324 1
1 192 . 2 1 1 A 24 24 VAL HA H 24 4.184 4.484 -0.300 1
1 193 . 2 1 1 A 24 24 VAL CB C 24 31.780 33.077 -1.297 1
1 203 . 2 1 1 A 24 24 VAL C C 24 175.644 175.320 0.324 1
1 204 . 2 1 1 A 25 25 THR N N 25 117.441 117.790 -0.349 1
1 205 . 2 1 1 A 25 25 THR H H 25 8.384 8.563 -0.179 1
1 206 . 2 1 1 A 25 25 THR CA C 25 59.858 59.944 -0.086 1
1 207 . 2 1 1 A 25 25 THR HA H 25 4.784 5.195 -0.411 1
1 208 . 2 1 1 A 25 25 THR CB C 25 71.687 72.012 -0.325 1
1 214 . 2 1 1 A 25 25 THR C C 25 172.360 173.547 -1.187 1
1 215 . 2 1 1 A 26 26 ALA N N 26 123.956 124.579 -0.623 1
1 216 . 2 1 1 A 26 26 ALA H H 26 8.440 8.870 -0.430 1
1 217 . 2 1 1 A 26 26 ALA CA C 26 51.022 50.643 0.379 1
1 218 . 2 1 1 A 26 26 ALA HA H 26 5.575 5.545 0.030 1
1 219 . 2 1 1 A 26 26 ALA CB C 26 22.576 23.815 -1.239 1
1 223 . 2 1 1 A 26 26 ALA C C 26 176.301 175.555 0.746 1
1 224 . 2 1 1 A 27 27 SER N N 27 114.430 114.294 0.136 1
1 225 . 2 1 1 A 27 27 SER H H 27 9.021 8.617 0.404 1
1 226 . 2 1 1 A 27 27 SER CA C 27 57.771 57.356 0.415 1
1 227 . 2 1 1 A 27 27 SER HA H 27 4.745 5.236 -0.491 1
1 228 . 2 1 1 A 27 27 SER CB C 27 65.911 67.679 -1.768 1
1 230 . 2 1 1 A 27 27 SER C C 27 172.798 173.064 -0.266 1
1 232 . 2 1 1 A 28 28 GLY N N 28 108.618 110.097 -1.479 1
1 233 . 2 1 1 A 28 28 GLY H H 28 8.516 8.447 0.069 1
1 234 . 2 1 1 A 28 28 GLY CA C 28 44.966 44.515 0.451 1
1 235 . 2 1 1 A 28 28 GLY HA3 H 28 4.102 4.298 -0.196 1
1 236 . 2 1 1 A 28 28 GLY C C 28 173.392 174.049 -0.657 1
1 237 . 2 1 1 A 28 28 GLY HA2 H 28 5.026 4.254 0.772 1
1 238 . 2 1 1 A 29 29 PRO CA C 29 65.446 65.023 0.423 1
1 239 . 2 1 1 A 29 29 PRO HA H 29 4.399 4.424 -0.025 1
1 240 . 2 1 1 A 29 29 PRO CB C 29 31.739 32.063 -0.324 1
1 246 . 2 1 1 A 29 29 PRO C C 29 179.804 178.576 1.228 1
1 250 . 2 1 1 A 30 30 GLY N N 30 103.199 106.003 -2.804 1
1 251 . 2 1 1 A 30 30 GLY H H 30 9.156 8.552 0.604 1
1 252 . 2 1 1 A 30 30 GLY CA C 30 46.458 46.992 -0.534 1
1 253 . 2 1 1 A 30 30 GLY HA3 H 30 3.331 4.327 -0.996 1
1 254 . 2 1 1 A 30 30 GLY C C 30 171.694 174.712 -3.018 1
1 255 . 2 1 1 A 30 30 GLY HA2 H 30 4.062 4.210 -0.148 1
1 256 . 2 1 1 A 31 31 LEU N N 31 116.112 119.666 -3.554 1
1 257 . 2 1 1 A 31 31 LEU H H 31 7.351 7.732 -0.381 1
1 258 . 2 1 1 A 31 31 LEU CA C 31 52.607 54.114 -1.507 1
1 259 . 2 1 1 A 31 31 LEU HA H 31 4.269 4.632 -0.363 1
1 260 . 2 1 1 A 31 31 LEU CB C 31 41.265 41.992 -0.727 1
1 272 . 2 1 1 A 31 31 LEU C C 31 176.751 176.312 0.439 1
1 274 . 2 1 1 A 32 32 SER N N 32 114.056 117.789 -3.733 1
1 275 . 2 1 1 A 32 32 SER H H 32 6.986 7.915 -0.929 1
1 276 . 2 1 1 A 32 32 SER CA C 32 58.750 58.403 0.347 1
1 277 . 2 1 1 A 32 32 SER HA H 32 4.268 4.431 -0.163 1
1 278 . 2 1 1 A 32 32 SER CB C 32 64.571 64.285 0.286 1
1 280 . 2 1 1 A 32 32 SER C C 32 176.483 175.548 0.935 1
1 282 . 2 1 1 A 33 33 SER N N 33 123.249 123.778 -0.529 1
1 283 . 2 1 1 A 33 33 SER H H 33 8.887 9.084 -0.197 1
1 284 . 2 1 1 A 33 33 SER CA C 33 60.176 61.512 -1.336 1
1 285 . 2 1 1 A 33 33 SER HA H 33 4.409 4.145 0.264 1
1 286 . 2 1 1 A 33 33 SER CB C 33 63.098 62.320 0.778 1
1 288 . 2 1 1 A 33 33 SER C C 33 174.922 176.051 -1.129 1
1 290 . 2 1 1 A 34 34 TYR N N 34 120.641 119.924 0.717 1
1 291 . 2 1 1 A 34 34 TYR H H 34 8.225 8.228 -0.003 1
1 292 . 2 1 1 A 34 34 TYR CA C 34 58.266 60.157 -1.891 1
1 293 . 2 1 1 A 34 34 TYR HA H 34 4.622 4.340 0.282 1
1 294 . 2 1 1 A 34 34 TYR CB C 34 38.478 38.624 -0.146 1
1 304 . 2 1 1 A 34 34 TYR C C 34 175.881 176.092 -0.211 1
1 306 . 2 1 1 A 35 35 GLY N N 35 109.142 105.486 3.656 1
1 307 . 2 1 1 A 35 35 GLY H H 35 7.416 7.167 0.249 1
1 308 . 2 1 1 A 35 35 GLY CA C 35 44.524 44.746 -0.222 1
1 309 . 2 1 1 A 35 35 GLY HA3 H 35 4.411 4.115 0.296 1
1 310 . 2 1 1 A 35 35 GLY C C 35 172.956 172.166 0.790 1
1 311 . 2 1 1 A 35 35 GLY HA2 H 35 4.324 4.111 0.213 1
1 312 . 2 1 1 A 36 36 VAL N N 36 116.841 116.514 0.327 1
1 313 . 2 1 1 A 36 36 VAL H H 36 8.617 8.622 -0.005 1
1 314 . 2 1 1 A 36 36 VAL CA C 36 57.700 58.087 -0.387 1
1 315 . 2 1 1 A 36 36 VAL HA H 36 4.880 4.953 -0.073 1
1 316 . 2 1 1 A 36 36 VAL CB C 36 33.474 33.742 -0.268 1
1 326 . 2 1 1 A 36 36 VAL C C 36 173.489 173.547 -0.058 1
1 327 . 2 1 1 A 37 37 PRO CA C 37 62.200 62.292 -0.092 1
1 328 . 2 1 1 A 37 37 PRO HA H 37 4.646 4.708 -0.062 1
1 329 . 2 1 1 A 37 37 PRO CB C 37 31.876 31.719 0.157 1
1 335 . 2 1 1 A 37 37 PRO C C 37 177.148 177.030 0.118 1
1 339 . 2 1 1 A 38 38 ALA N N 38 124.330 124.800 -0.470 1
1 340 . 2 1 1 A 38 38 ALA H H 38 8.591 8.272 0.319 1
1 341 . 2 1 1 A 38 38 ALA CA C 38 52.606 52.408 0.198 1
1 342 . 2 1 1 A 38 38 ALA HA H 38 4.189 4.200 -0.011 1
1 343 . 2 1 1 A 38 38 ALA CB C 38 18.928 19.670 -0.742 1
1 347 . 2 1 1 A 38 38 ALA C C 38 178.418 177.850 0.568 1
1 348 . 2 1 1 A 39 39 SER N N 39 109.435 111.641 -2.206 1
1 349 . 2 1 1 A 39 39 SER H H 39 8.687 8.322 0.365 1
1 350 . 2 1 1 A 39 39 SER CA C 39 61.147 59.102 2.045 1
1 351 . 2 1 1 A 39 39 SER HA H 39 3.770 3.977 -0.207 1
1 352 . 2 1 1 A 39 39 SER CB C 39 62.322 61.949 0.373 1
1 354 . 2 1 1 A 39 39 SER C C 39 172.372 172.698 -0.326 1
1 356 . 2 1 1 A 40 40 LEU N N 40 121.668 119.944 1.724 1
1 357 . 2 1 1 A 40 40 LEU H H 40 6.981 7.645 -0.664 1
1 358 . 2 1 1 A 40 40 LEU CA C 40 51.707 50.868 0.839 1
1 359 . 2 1 1 A 40 40 LEU HA H 40 4.890 4.645 0.245 1
1 360 . 2 1 1 A 40 40 LEU CB C 40 43.441 45.496 -2.055 1
1 372 . 2 1 1 A 40 40 LEU C C 40 173.635 174.151 -0.516 1
1 374 . 2 1 1 A 41 41 PRO CA C 41 62.683 62.281 0.402 1
1 375 . 2 1 1 A 41 41 PRO HA H 41 4.490 4.619 -0.129 1
1 376 . 2 1 1 A 41 41 PRO CB C 41 31.415 30.972 0.443 1
1 382 . 2 1 1 A 41 41 PRO C C 41 175.540 175.181 0.359 1
1 386 . 2 1 1 A 42 42 VAL N N 42 124.505 122.618 1.887 1
1 387 . 2 1 1 A 42 42 VAL H H 42 8.917 7.625 1.292 1
1 388 . 2 1 1 A 42 42 VAL CA C 42 60.282 59.482 0.800 1
1 389 . 2 1 1 A 42 42 VAL HA H 42 4.408 4.614 -0.206 1
1 390 . 2 1 1 A 42 42 VAL CB C 42 34.522 34.400 0.122 1
1 400 . 2 1 1 A 42 42 VAL C C 42 171.180 173.999 -2.819 1
1 401 . 2 1 1 A 43 43 ASP N N 43 121.538 126.974 -5.436 1
1 402 . 2 1 1 A 43 43 ASP H H 43 7.549 9.128 -1.579 1
1 403 . 2 1 1 A 43 43 ASP CA C 43 51.968 52.257 -0.289 1
1 404 . 2 1 1 A 43 43 ASP HA H 43 6.324 5.711 0.613 1
1 405 . 2 1 1 A 43 43 ASP CB C 43 44.949 44.745 0.204 1
1 407 . 2 1 1 A 43 43 ASP C C 43 177.711 174.887 2.824 1
1 409 . 2 1 1 A 44 44 PHE N N 44 112.517 117.392 -4.875 1
1 410 . 2 1 1 A 44 44 PHE H H 44 9.044 7.764 1.280 1
1 411 . 2 1 1 A 44 44 PHE CA C 44 57.658 54.886 2.772 1
1 412 . 2 1 1 A 44 44 PHE HA H 44 5.069 5.489 -0.420 1
1 413 . 2 1 1 A 44 44 PHE CB C 44 41.220 42.127 -0.907 1
1 425 . 2 1 1 A 44 44 PHE C C 44 171.679 173.606 -1.927 1
1 427 . 2 1 1 A 45 45 ALA N N 45 123.935 121.120 2.815 1
1 428 . 2 1 1 A 45 45 ALA H H 45 9.468 8.896 0.572 1
1 429 . 2 1 1 A 45 45 ALA CA C 45 50.855 50.585 0.270 1
1 430 . 2 1 1 A 45 45 ALA HA H 45 5.379 5.387 -0.008 1
1 431 . 2 1 1 A 45 45 ALA CB C 45 22.496 22.309 0.187 1
1 435 . 2 1 1 A 45 45 ALA C C 45 176.715 175.681 1.034 1
1 436 . 2 1 1 A 46 46 ILE N N 46 119.530 123.836 -4.306 1
1 437 . 2 1 1 A 46 46 ILE H H 46 8.686 9.315 -0.629 1
1 438 . 2 1 1 A 46 46 ILE CA C 46 59.561 60.563 -1.002 1
1 439 . 2 1 1 A 46 46 ILE HA H 46 4.863 4.745 0.118 1
1 440 . 2 1 1 A 46 46 ILE CB C 46 41.370 38.746 2.624 1
1 452 . 2 1 1 A 46 46 ILE C C 46 174.379 173.994 0.385 1
1 454 . 2 1 1 A 47 47 ASP N N 47 127.143 129.399 -2.256 1
1 455 . 2 1 1 A 47 47 ASP H H 47 9.281 9.145 0.136 1
1 456 . 2 1 1 A 47 47 ASP CA C 47 53.297 53.004 0.293 1
1 457 . 2 1 1 A 47 47 ASP HA H 47 4.976 5.135 -0.159 1
1 458 . 2 1 1 A 47 47 ASP CB C 47 41.371 42.302 -0.931 1
1 460 . 2 1 1 A 47 47 ASP C C 47 174.962 174.974 -0.012 1
1 462 . 2 1 1 A 48 48 ALA N N 48 129.371 129.397 -0.026 1
1 463 . 2 1 1 A 48 48 ALA H H 48 9.078 8.615 0.463 1
1 464 . 2 1 1 A 48 48 ALA CA C 48 50.554 50.669 -0.115 1
1 465 . 2 1 1 A 48 48 ALA HA H 48 4.641 5.018 -0.377 1
1 466 . 2 1 1 A 48 48 ALA CB C 48 19.699 20.764 -1.065 1
1 470 . 2 1 1 A 48 48 ALA C C 48 179.317 176.749 2.568 1
1 471 . 2 1 1 A 49 49 ARG N N 49 122.060 124.548 -2.488 1
1 472 . 2 1 1 A 49 49 ARG H H 49 8.590 8.947 -0.357 1
1 473 . 2 1 1 A 49 49 ARG CA C 49 60.964 57.625 3.339 1
1 474 . 2 1 1 A 49 49 ARG HA H 49 3.987 4.495 -0.508 1
1 475 . 2 1 1 A 49 49 ARG CB C 49 30.654 31.279 -0.625 1
1 483 . 2 1 1 A 49 49 ARG C C 49 178.077 176.465 1.612 1
1 487 . 2 1 1 A 50 50 ASP N N 50 116.664 117.412 -0.748 1
1 488 . 2 1 1 A 50 50 ASP H H 50 8.794 7.902 0.892 1
1 489 . 2 1 1 A 50 50 ASP CA C 50 53.827 53.043 0.784 1
1 490 . 2 1 1 A 50 50 ASP HA H 50 5.040 4.877 0.163 1
1 491 . 2 1 1 A 50 50 ASP CB C 50 41.595 41.575 0.020 1
1 493 . 2 1 1 A 50 50 ASP C C 50 175.754 177.134 -1.380 1
1 495 . 2 1 1 A 51 51 ALA N N 51 121.173 123.223 -2.050 1
1 496 . 2 1 1 A 51 51 ALA H H 51 7.406 7.847 -0.441 1
1 497 . 2 1 1 A 51 51 ALA CA C 51 52.147 51.718 0.429 1
1 498 . 2 1 1 A 51 51 ALA HA H 51 4.414 4.460 -0.046 1
1 499 . 2 1 1 A 51 51 ALA CB C 51 23.427 18.826 4.601 1
1 503 . 2 1 1 A 51 51 ALA C C 51 176.763 177.759 -0.996 1
1 504 . 2 1 1 A 52 52 GLY N N 52 108.187 106.949 1.238 1
1 505 . 2 1 1 A 52 52 GLY H H 52 8.521 8.123 0.398 1
1 506 . 2 1 1 A 52 52 GLY CA C 52 45.210 47.280 -2.070 1
1 507 . 2 1 1 A 52 52 GLY HA3 H 52 3.859 3.933 -0.074 1
1 508 . 2 1 1 A 52 52 GLY C C 52 175.060 173.717 1.343 1
1 509 . 2 1 1 A 52 52 GLY HA2 H 52 4.492 3.884 0.608 1
1 510 . 2 1 1 A 53 53 GLU N N 53 124.810 121.339 3.471 1
1 511 . 2 1 1 A 53 53 GLU H H 53 8.643 8.590 0.053 1
1 512 . 2 1 1 A 53 53 GLU CA C 53 56.352 54.770 1.582 1
1 513 . 2 1 1 A 53 53 GLU HA H 53 4.663 5.344 -0.681 1
1 514 . 2 1 1 A 53 53 GLU CB C 53 31.164 32.571 -1.407 1
1 518 . 2 1 1 A 53 53 GLU C C 53 173.491 174.670 -1.179 1
1 521 . 2 1 1 A 54 54 GLY N N 54 111.417 109.457 1.960 1
1 522 . 2 1 1 A 54 54 GLY H H 54 7.465 8.297 -0.832 1
1 523 . 2 1 1 A 54 54 GLY CA C 54 43.622 44.671 -1.049 1
1 524 . 2 1 1 A 54 54 GLY HA3 H 54 2.287 4.039 -1.752 1
1 525 . 2 1 1 A 54 54 GLY C C 54 170.013 171.471 -1.458 1
1 526 . 2 1 1 A 54 54 GLY HA2 H 54 3.819 3.701 0.118 1
1 527 . 2 1 1 A 55 55 LEU N N 55 117.446 122.256 -4.810 1
1 528 . 2 1 1 A 55 55 LEU H H 55 7.461 7.899 -0.438 1
1 529 . 2 1 1 A 55 55 LEU CA C 55 54.041 54.383 -0.342 1
1 530 . 2 1 1 A 55 55 LEU HA H 55 4.293 4.354 -0.061 1
1 531 . 2 1 1 A 55 55 LEU CB C 55 42.832 42.704 0.128 1
1 543 . 2 1 1 A 55 55 LEU C C 55 176.872 175.582 1.290 1
1 545 . 2 1 1 A 56 56 LEU N N 56 131.840 128.356 3.484 1
1 546 . 2 1 1 A 56 56 LEU H H 56 8.791 8.416 0.375 1
1 547 . 2 1 1 A 56 56 LEU CA C 56 53.807 54.140 -0.333 1
1 548 . 2 1 1 A 56 56 LEU HA H 56 5.053 4.753 0.300 1
1 549 . 2 1 1 A 56 56 LEU CB C 56 43.113 43.687 -0.574 1
1 561 . 2 1 1 A 56 56 LEU C C 56 175.389 174.686 0.703 1
1 563 . 2 1 1 A 57 57 ALA N N 57 130.035 129.608 0.427 1
1 564 . 2 1 1 A 57 57 ALA H H 57 8.880 8.744 0.136 1
1 565 . 2 1 1 A 57 57 ALA CA C 57 51.758 50.377 1.381 1
1 566 . 2 1 1 A 57 57 ALA HA H 57 4.641 5.226 -0.585 1
1 567 . 2 1 1 A 57 57 ALA CB C 57 21.820 22.199 -0.379 1
1 571 . 2 1 1 A 57 57 ALA C C 57 174.647 175.583 -0.936 1
1 572 . 2 1 1 A 58 58 VAL N N 58 120.958 122.432 -1.474 1
1 573 . 2 1 1 A 58 58 VAL H H 58 8.443 8.770 -0.327 1
1 574 . 2 1 1 A 58 58 VAL CA C 58 60.495 61.354 -0.859 1
1 575 . 2 1 1 A 58 58 VAL HA H 58 4.988 4.797 0.191 1
1 576 . 2 1 1 A 58 58 VAL CB C 58 34.639 33.450 1.189 1
1 586 . 2 1 1 A 58 58 VAL C C 58 174.646 174.296 0.350 1
1 587 . 2 1 1 A 59 59 GLN N N 59 127.048 128.080 -1.032 1
1 588 . 2 1 1 A 59 59 GLN H H 59 9.196 9.145 0.051 1
1 589 . 2 1 1 A 59 59 GLN CA C 59 54.587 54.277 0.310 1
1 590 . 2 1 1 A 59 59 GLN HA H 59 4.706 5.028 -0.322 1
1 591 . 2 1 1 A 59 59 GLN CB C 59 31.580 31.171 0.409 1
1 598 . 2 1 1 A 59 59 GLN C C 59 174.197 174.265 -0.068 1
1 601 . 2 1 1 A 60 60 ILE N N 60 127.617 127.663 -0.046 1
1 602 . 2 1 1 A 60 60 ILE H H 60 9.299 8.989 0.310 1
1 603 . 2 1 1 A 60 60 ILE CA C 60 60.506 60.293 0.213 1
1 604 . 2 1 1 A 60 60 ILE HA H 60 5.210 4.885 0.325 1
1 605 . 2 1 1 A 60 60 ILE CB C 60 39.172 39.643 -0.471 1
1 617 . 2 1 1 A 60 60 ILE C C 60 175.608 175.485 0.123 1
1 619 . 2 1 1 A 61 61 THR N N 61 119.733 117.947 1.786 1
1 620 . 2 1 1 A 61 61 THR H H 61 8.924 8.872 0.052 1
1 621 . 2 1 1 A 61 61 THR CA C 61 59.565 59.468 0.097 1
1 622 . 2 1 1 A 61 61 THR HA H 61 5.173 5.392 -0.219 1
1 623 . 2 1 1 A 61 61 THR CB C 61 72.121 71.849 0.272 1
1 629 . 2 1 1 A 61 61 THR C C 61 174.051 173.692 0.359 1
1 630 . 2 1 1 A 62 62 ASP N N 62 122.337 121.168 1.169 1
1 631 . 2 1 1 A 62 62 ASP H H 62 8.484 8.265 0.219 1
1 632 . 2 1 1 A 62 62 ASP CA C 62 52.200 51.356 0.844 1
1 633 . 2 1 1 A 62 62 ASP HA H 62 4.425 4.499 -0.074 1
1 634 . 2 1 1 A 62 62 ASP CB C 62 42.222 42.209 0.013 1
1 636 . 2 1 1 A 62 62 ASP C C 62 179.086 177.670 1.416 1
1 638 . 2 1 1 A 63 63 GLN N N 63 118.341 117.525 0.816 1
1 639 . 2 1 1 A 63 63 GLN H H 63 8.250 8.741 -0.491 1
1 640 . 2 1 1 A 63 63 GLN CA C 63 58.406 58.342 0.064 1
1 641 . 2 1 1 A 63 63 GLN HA H 63 4.049 4.050 -0.001 1
1 642 . 2 1 1 A 63 63 GLN CB C 63 28.127 27.782 0.345 1
1 649 . 2 1 1 A 63 63 GLN C C 63 177.152 178.097 -0.945 1
1 652 . 2 1 1 A 64 64 GLU N N 64 119.134 119.965 -0.831 1
1 653 . 2 1 1 A 64 64 GLU H H 64 8.120 7.695 0.425 1
1 654 . 2 1 1 A 64 64 GLU CA C 64 55.790 57.639 -1.849 1
1 655 . 2 1 1 A 64 64 GLU HA H 64 4.423 4.332 0.091 1
1 656 . 2 1 1 A 64 64 GLU CB C 64 30.102 30.372 -0.270 1
1 660 . 2 1 1 A 64 64 GLU C C 64 176.374 176.690 -0.316 1
1 663 . 2 1 1 A 65 65 GLY N N 65 108.728 108.459 0.269 1
1 664 . 2 1 1 A 65 65 GLY H H 65 8.306 8.388 -0.082 1
1 665 . 2 1 1 A 65 65 GLY CA C 65 45.285 45.651 -0.366 1
1 666 . 2 1 1 A 65 65 GLY HA3 H 65 3.561 3.874 -0.313 1
1 667 . 2 1 1 A 65 65 GLY C C 65 174.342 174.332 0.010 1
1 668 . 2 1 1 A 65 65 GLY HA2 H 65 4.203 3.868 0.335 1
1 669 . 2 1 1 A 66 66 LYS N N 66 123.502 117.477 6.025 1
1 670 . 2 1 1 A 66 66 LYS H H 66 8.528 7.436 1.092 1
1 671 . 2 1 1 A 66 66 LYS CA C 66 53.738 54.116 -0.378 1
1 672 . 2 1 1 A 66 66 LYS HA H 66 4.613 4.660 -0.047 1
1 673 . 2 1 1 A 66 66 LYS CB C 66 31.167 33.130 -1.963 1
1 681 . 2 1 1 A 66 66 LYS C C 66 174.752 174.825 -0.073 1
1 686 . 2 1 1 A 67 67 PRO CA C 67 62.433 62.835 -0.402 1
1 687 . 2 1 1 A 67 67 PRO HA H 67 5.062 4.712 0.350 1
1 688 . 2 1 1 A 67 67 PRO CB C 67 32.725 31.934 0.791 1
1 694 . 2 1 1 A 67 67 PRO C C 67 177.270 177.055 0.215 1
1 698 . 2 1 1 A 68 68 LYS N N 68 121.461 121.312 0.149 1
1 699 . 2 1 1 A 68 68 LYS H H 68 8.419 8.195 0.224 1
1 700 . 2 1 1 A 68 68 LYS CA C 68 52.023 55.164 -3.141 1
1 701 . 2 1 1 A 68 68 LYS HA H 68 4.797 4.765 0.032 1
1 702 . 2 1 1 A 68 68 LYS CB C 68 32.611 34.265 -1.654 1
1 710 . 2 1 1 A 68 68 LYS C C 68 175.389 175.451 -0.062 1
1 715 . 2 1 1 A 69 69 ARG N N 69 124.040 122.441 1.599 1
1 716 . 2 1 1 A 69 69 ARG H H 69 8.683 8.551 0.132 1
1 717 . 2 1 1 A 69 69 ARG CA C 69 57.045 55.264 1.781 1
1 718 . 2 1 1 A 69 69 ARG HA H 69 4.221 4.837 -0.616 1
1 719 . 2 1 1 A 69 69 ARG CB C 69 30.712 31.230 -0.518 1
1 725 . 2 1 1 A 69 69 ARG C C 69 174.877 175.376 -0.499 1
1 729 . 2 1 1 A 70 70 ALA N N 70 127.074 128.421 -1.347 1
1 730 . 2 1 1 A 70 70 ALA H H 70 8.421 9.095 -0.674 1
1 731 . 2 1 1 A 70 70 ALA CA C 70 50.360 50.322 0.038 1
1 732 . 2 1 1 A 70 70 ALA HA H 70 4.859 5.297 -0.438 1
1 733 . 2 1 1 A 70 70 ALA CB C 70 20.569 23.606 -3.037 1
1 737 . 2 1 1 A 70 70 ALA C C 70 176.313 175.596 0.717 1
1 738 . 2 1 1 A 71 71 ILE N N 71 124.496 119.766 4.730 1
1 739 . 2 1 1 A 71 71 ILE H H 71 8.943 8.841 0.102 1
1 740 . 2 1 1 A 71 71 ILE CA C 71 60.870 60.036 0.834 1
1 741 . 2 1 1 A 71 71 ILE HA H 71 4.195 4.802 -0.607 1
1 742 . 2 1 1 A 71 71 ILE CB C 71 38.457 40.458 -2.001 1
1 754 . 2 1 1 A 71 71 ILE C C 71 175.027 174.545 0.482 1
1 756 . 2 1 1 A 72 72 VAL N N 72 128.410 127.904 0.506 1
1 757 . 2 1 1 A 72 72 VAL H H 72 8.714 8.976 -0.262 1
1 758 . 2 1 1 A 72 72 VAL CA C 72 61.867 59.840 2.027 1
1 759 . 2 1 1 A 72 72 VAL HA H 72 4.478 4.910 -0.432 1
1 760 . 2 1 1 A 72 72 VAL CB C 72 32.745 34.119 -1.374 1
1 770 . 2 1 1 A 72 72 VAL C C 72 175.279 173.561 1.718 1
1 771 . 2 1 1 A 73 73 HIS N N 73 129.084 130.008 -0.924 1
1 772 . 2 1 1 A 73 73 HIS H H 73 9.783 9.326 0.457 1
1 773 . 2 1 1 A 73 73 HIS CA C 73 55.366 53.888 1.478 1
1 774 . 2 1 1 A 73 73 HIS HA H 73 4.849 5.272 -0.423 1
1 775 . 2 1 1 A 73 73 HIS CB C 73 31.465 32.383 -0.918 1
1 781 . 2 1 1 A 73 73 HIS C C 73 173.491 173.389 0.102 1
1 783 . 2 1 1 A 74 74 ASP N N 74 127.118 126.389 0.729 1
1 784 . 2 1 1 A 74 74 ASP H H 74 8.541 8.481 0.060 1
1 785 . 2 1 1 A 74 74 ASP CA C 74 53.048 52.781 0.267 1
1 786 . 2 1 1 A 74 74 ASP HA H 74 4.476 5.297 -0.821 1
1 787 . 2 1 1 A 74 74 ASP CB C 74 41.554 41.983 -0.429 1
1 789 . 2 1 1 A 74 74 ASP C C 74 175.936 175.667 0.269 1
1 791 . 2 1 1 A 75 75 ASN N N 75 124.002 122.270 1.732 1
1 792 . 2 1 1 A 75 75 ASN H H 75 7.827 8.654 -0.827 1
1 793 . 2 1 1 A 75 75 ASN CA C 75 54.517 53.092 1.425 1
1 794 . 2 1 1 A 75 75 ASN HA H 75 4.572 4.731 -0.159 1
1 795 . 2 1 1 A 75 75 ASN CB C 75 38.091 39.530 -1.439 1
1 800 . 2 1 1 A 75 75 ASN C C 75 175.352 174.750 0.602 1
1 802 . 2 1 1 A 76 76 LYS N N 76 114.689 115.236 -0.547 1
1 803 . 2 1 1 A 76 76 LYS H H 76 9.246 7.579 1.667 1
1 804 . 2 1 1 A 76 76 LYS CA C 76 57.428 57.235 0.193 1
1 805 . 2 1 1 A 76 76 LYS HA H 76 3.882 3.871 0.011 1
1 806 . 2 1 1 A 76 76 LYS CB C 76 28.223 28.893 -0.670 1
1 814 . 2 1 1 A 76 76 LYS C C 76 174.975 175.984 -1.009 1
1 819 . 2 1 1 A 77 77 ASP N N 77 117.462 117.908 -0.446 1
1 820 . 2 1 1 A 77 77 ASP H H 77 7.831 8.470 -0.639 1
1 821 . 2 1 1 A 77 77 ASP CA C 77 52.168 53.031 -0.863 1
1 822 . 2 1 1 A 77 77 ASP HA H 77 4.706 4.797 -0.091 1
1 823 . 2 1 1 A 77 77 ASP CB C 77 41.224 41.459 -0.235 1
1 825 . 2 1 1 A 77 77 ASP C C 77 176.739 176.356 0.383 1
1 827 . 2 1 1 A 78 78 GLY N N 78 109.485 107.545 1.940 1
1 828 . 2 1 1 A 78 78 GLY H H 78 8.658 8.143 0.515 1
1 829 . 2 1 1 A 78 78 GLY CA C 78 45.568 45.188 0.380 1
1 830 . 2 1 1 A 78 78 GLY HA3 H 78 3.698 3.981 -0.283 1
1 831 . 2 1 1 A 78 78 GLY C C 78 172.263 173.849 -1.586 1
1 832 . 2 1 1 A 78 78 GLY HA2 H 78 4.323 3.963 0.360 1
1 833 . 2 1 1 A 79 79 THR N N 79 109.462 111.329 -1.867 1
1 834 . 2 1 1 A 79 79 THR H H 79 8.057 7.550 0.507 1
1 835 . 2 1 1 A 79 79 THR CA C 79 59.989 60.005 -0.016 1
1 836 . 2 1 1 A 79 79 THR HA H 79 5.566 5.255 0.311 1
1 837 . 2 1 1 A 79 79 THR CB C 79 72.712 71.671 1.041 1
1 843 . 2 1 1 A 79 79 THR C C 79 173.868 172.787 1.081 1
1 844 . 2 1 1 A 80 80 TYR N N 80 116.428 119.444 -3.016 1
1 845 . 2 1 1 A 80 80 TYR H H 80 9.085 8.964 0.121 1
1 846 . 2 1 1 A 80 80 TYR CA C 80 56.533 56.508 0.025 1
1 847 . 2 1 1 A 80 80 TYR HA H 80 5.372 5.109 0.263 1
1 848 . 2 1 1 A 80 80 TYR CB C 80 42.831 43.043 -0.212 1
1 858 . 2 1 1 A 80 80 TYR C C 80 175.327 174.275 1.052 1
1 860 . 2 1 1 A 81 81 ALA N N 81 126.743 124.149 2.594 1
1 861 . 2 1 1 A 81 81 ALA H H 81 9.302 8.620 0.682 1
1 862 . 2 1 1 A 81 81 ALA CA C 81 51.121 50.070 1.051 1
1 863 . 2 1 1 A 81 81 ALA HA H 81 5.149 5.379 -0.230 1
1 864 . 2 1 1 A 81 81 ALA CB C 81 22.111 22.234 -0.123 1
1 868 . 2 1 1 A 81 81 ALA C C 81 175.505 175.844 -0.339 1
1 869 . 2 1 1 A 82 82 VAL N N 82 124.472 121.432 3.040 1
1 870 . 2 1 1 A 82 82 VAL H H 82 8.940 8.433 0.507 1
1 871 . 2 1 1 A 82 82 VAL CA C 82 60.264 60.792 -0.528 1
1 872 . 2 1 1 A 82 82 VAL HA H 82 5.039 4.748 0.291 1
1 873 . 2 1 1 A 82 82 VAL CB C 82 33.236 34.734 -1.498 1
1 883 . 2 1 1 A 82 82 VAL C C 82 174.517 174.384 0.133 1
1 884 . 2 1 1 A 83 83 THR N N 83 121.500 123.236 -1.736 1
1 885 . 2 1 1 A 83 83 THR H H 83 8.717 8.511 0.206 1
1 886 . 2 1 1 A 83 83 THR CA C 83 61.075 62.246 -1.171 1
1 887 . 2 1 1 A 83 83 THR HA H 83 5.497 5.043 0.454 1
1 888 . 2 1 1 A 83 83 THR CB C 83 72.153 70.511 1.642 1
1 894 . 2 1 1 A 83 83 THR C C 83 173.515 173.630 -0.115 1
1 895 . 2 1 1 A 84 84 TYR N N 84 122.841 121.551 1.290 1
1 896 . 2 1 1 A 84 84 TYR H H 84 9.014 8.574 0.440 1
1 897 . 2 1 1 A 84 84 TYR CA C 84 55.985 55.808 0.177 1
1 898 . 2 1 1 A 84 84 TYR HA H 84 4.979 5.331 -0.352 1
1 899 . 2 1 1 A 84 84 TYR CB C 84 41.967 41.529 0.438 1
1 909 . 2 1 1 A 84 84 TYR C C 84 171.873 173.012 -1.139 1
1 911 . 2 1 1 A 85 85 ILE N N 85 118.254 123.961 -5.707 1
1 912 . 2 1 1 A 85 85 ILE H H 85 8.805 8.909 -0.104 1
1 913 . 2 1 1 A 85 85 ILE CA C 85 57.883 58.157 -0.274 1
1 914 . 2 1 1 A 85 85 ILE HA H 85 4.550 4.529 0.021 1
1 915 . 2 1 1 A 85 85 ILE CB C 85 40.179 38.580 1.599 1
1 927 . 2 1 1 A 85 85 ILE C C 85 174.339 174.776 -0.437 1
1 929 . 2 1 1 A 86 86 PRO CA C 86 61.414 62.725 -1.311 1
1 930 . 2 1 1 A 86 86 PRO HA H 86 4.436 4.680 -0.244 1
1 931 . 2 1 1 A 86 86 PRO CB C 86 30.107 31.558 -1.451 1
1 937 . 2 1 1 A 86 86 PRO C C 86 175.126 176.852 -1.726 1
1 941 . 2 1 1 A 87 87 ASP N N 87 123.447 123.549 -0.102 1
1 942 . 2 1 1 A 87 87 ASP H H 87 8.501 8.670 -0.169 1
1 943 . 2 1 1 A 87 87 ASP CA C 87 55.668 56.053 -0.385 1
1 944 . 2 1 1 A 87 87 ASP HA H 87 4.263 4.556 -0.293 1
1 945 . 2 1 1 A 87 87 ASP CB C 87 40.930 41.147 -0.217 1
1 947 . 2 1 1 A 87 87 ASP C C 87 175.182 176.570 -1.388 1
1 949 . 2 1 1 A 88 88 LYS N N 88 116.947 119.622 -2.675 1
1 950 . 2 1 1 A 88 88 LYS H H 88 7.683 7.405 0.278 1
1 951 . 2 1 1 A 88 88 LYS CA C 88 54.995 55.697 -0.702 1
1 952 . 2 1 1 A 88 88 LYS HA H 88 4.588 4.557 0.031 1
1 953 . 2 1 1 A 88 88 LYS CB C 88 34.821 33.588 1.233 1
1 961 . 2 1 1 A 88 88 LYS C C 88 177.529 176.605 0.924 1
1 966 . 2 1 1 A 89 89 THR N N 89 114.134 114.348 -0.214 1
1 967 . 2 1 1 A 89 89 THR H H 89 8.588 8.516 0.072 1
1 968 . 2 1 1 A 89 89 THR CA C 89 62.828 60.655 2.173 1
1 969 . 2 1 1 A 89 89 THR HA H 89 4.083 5.224 -1.141 1
1 970 . 2 1 1 A 89 89 THR CB C 89 69.590 70.447 -0.857 1
1 976 . 2 1 1 A 89 89 THR C C 89 174.269 174.125 0.144 1
1 977 . 2 1 1 A 90 90 GLY N N 90 109.440 109.002 0.438 1
1 978 . 2 1 1 A 90 90 GLY H H 90 8.444 8.422 0.022 1
1 979 . 2 1 1 A 90 90 GLY CA C 90 44.648 46.032 -1.384 1
1 980 . 2 1 1 A 90 90 GLY HA3 H 90 4.467 4.254 0.213 1
1 981 . 2 1 1 A 90 90 GLY C C 90 172.469 172.082 0.387 1
1 982 . 2 1 1 A 90 90 GLY HA2 H 90 3.908 4.206 -0.298 1
1 983 . 2 1 1 A 91 91 ARG N N 91 120.781 121.189 -0.408 1
1 984 . 2 1 1 A 91 91 ARG H H 91 8.271 8.465 -0.194 1
1 985 . 2 1 1 A 91 91 ARG CA C 91 56.178 54.496 1.682 1
1 986 . 2 1 1 A 91 91 ARG HA H 91 4.951 5.138 -0.187 1
1 987 . 2 1 1 A 91 91 ARG CB C 91 31.986 32.967 -0.981 1
1 993 . 2 1 1 A 91 91 ARG C C 91 175.711 174.576 1.135 1
1 997 . 2 1 1 A 92 92 TYR N N 92 122.381 121.137 1.244 1
1 998 . 2 1 1 A 92 92 TYR H H 92 9.312 8.912 0.400 1
1 999 . 2 1 1 A 92 92 TYR CA C 92 56.886 56.548 0.338 1
1 1000 . 2 1 1 A 92 92 TYR HA H 92 4.960 5.339 -0.379 1
1 1001 . 2 1 1 A 92 92 TYR CB C 92 41.223 41.915 -0.692 1
1 1011 . 2 1 1 A 92 92 TYR C C 92 174.902 174.161 0.741 1
1 1013 . 2 1 1 A 93 93 MET N N 93 121.210 124.347 -3.137 1
1 1014 . 2 1 1 A 93 93 MET H H 93 8.819 8.733 0.086 1
1 1015 . 2 1 1 A 93 93 MET CA C 93 53.745 54.240 -0.495 1
1 1016 . 2 1 1 A 93 93 MET HA H 93 5.346 5.543 -0.197 1
1 1017 . 2 1 1 A 93 93 MET CB C 93 34.220 35.472 -1.252 1
1 1025 . 2 1 1 A 93 93 MET C C 93 175.365 174.452 0.913 1
1 1028 . 2 1 1 A 94 94 ILE N N 94 125.747 127.143 -1.396 1
1 1029 . 2 1 1 A 94 94 ILE H H 94 9.372 8.826 0.546 1
1 1030 . 2 1 1 A 94 94 ILE CA C 94 60.685 59.614 1.071 1
1 1031 . 2 1 1 A 94 94 ILE HA H 94 4.606 5.120 -0.514 1
1 1032 . 2 1 1 A 94 94 ILE CB C 94 39.188 39.144 0.044 1
1 1044 . 2 1 1 A 94 94 ILE C C 94 174.987 174.797 0.190 1
1 1046 . 2 1 1 A 95 95 GLY N N 95 116.553 115.483 1.070 1
1 1047 . 2 1 1 A 95 95 GLY H H 95 9.509 9.156 0.353 1
1 1048 . 2 1 1 A 95 95 GLY CA C 95 44.507 45.383 -0.876 1
1 1049 . 2 1 1 A 95 95 GLY HA3 H 95 3.605 4.145 -0.540 1
1 1050 . 2 1 1 A 95 95 GLY C C 95 173.175 172.786 0.389 1
1 1051 . 2 1 1 A 95 95 GLY HA2 H 95 4.606 4.116 0.490 1
1 1052 . 2 1 1 A 96 96 VAL N N 96 127.036 127.581 -0.545 1
1 1053 . 2 1 1 A 96 96 VAL H H 96 9.299 8.688 0.611 1
1 1054 . 2 1 1 A 96 96 VAL CA C 96 61.308 62.676 -1.368 1
1 1055 . 2 1 1 A 96 96 VAL HA H 96 4.889 4.489 0.400 1
1 1056 . 2 1 1 A 96 96 VAL CB C 96 34.145 32.304 1.841 1
1 1066 . 2 1 1 A 96 96 VAL C C 96 174.354 175.533 -1.179 1
1 1067 . 2 1 1 A 97 97 THR N N 97 115.219 117.783 -2.564 1
1 1068 . 2 1 1 A 97 97 THR H H 97 9.018 8.649 0.369 1
1 1069 . 2 1 1 A 97 97 THR CA C 97 57.826 59.359 -1.533 1
1 1070 . 2 1 1 A 97 97 THR HA H 97 5.265 5.387 -0.122 1
1 1071 . 2 1 1 A 97 97 THR CB C 97 72.753 72.097 0.656 1
1 1077 . 2 1 1 A 97 97 THR C C 97 173.175 172.869 0.306 1
1 1078 . 2 1 1 A 98 98 TYR N N 98 122.768 123.111 -0.343 1
1 1079 . 2 1 1 A 98 98 TYR H H 98 9.149 9.449 -0.300 1
1 1080 . 2 1 1 A 98 98 TYR CA C 98 57.488 57.237 0.251 1
1 1081 . 2 1 1 A 98 98 TYR HA H 98 5.077 4.914 0.163 1
1 1082 . 2 1 1 A 98 98 TYR CB C 98 43.122 41.533 1.589 1
1 1092 . 2 1 1 A 98 98 TYR C C 98 175.949 175.402 0.547 1
1 1094 . 2 1 1 A 99 99 GLY N N 99 113.994 115.058 -1.064 1
1 1095 . 2 1 1 A 99 99 GLY H H 99 8.402 8.905 -0.503 1
1 1096 . 2 1 1 A 99 99 GLY CA C 99 45.010 46.349 -1.339 1
1 1097 . 2 1 1 A 99 99 GLY HA3 H 99 2.623 3.327 -0.704 1
1 1098 . 2 1 1 A 99 99 GLY C C 99 174.197 175.137 -0.940 1
1 1099 . 2 1 1 A 99 99 GLY HA2 H 99 3.220 2.777 0.443 1
1 1100 . 2 1 1 A 100 100 GLY N N 100 103.115 106.224 -3.109 1
1 1101 . 2 1 1 A 100 100 GLY H H 100 8.288 8.583 -0.295 1
1 1102 . 2 1 1 A 100 100 GLY CA C 100 44.170 46.064 -1.894 1
1 1103 . 2 1 1 A 100 100 GLY HA3 H 100 4.265 3.873 0.392 1
1 1104 . 2 1 1 A 100 100 GLY C C 100 173.054 173.339 -0.285 1
1 1105 . 2 1 1 A 100 100 GLY HA2 H 100 3.284 3.867 -0.583 1
1 1106 . 2 1 1 A 101 101 ASP N N 101 120.566 119.570 0.996 1
1 1107 . 2 1 1 A 101 101 ASP H H 101 7.245 7.921 -0.676 1
1 1108 . 2 1 1 A 101 101 ASP CA C 101 52.908 53.255 -0.347 1
1 1109 . 2 1 1 A 101 101 ASP HA H 101 5.012 5.061 -0.049 1
1 1110 . 2 1 1 A 101 101 ASP CB C 101 42.831 44.108 -1.277 1
1 1112 . 2 1 1 A 101 101 ASP C C 101 175.182 175.216 -0.034 1
1 1114 . 2 1 1 A 102 102 ASP N N 102 122.668 125.258 -2.590 1
1 1115 . 2 1 1 A 102 102 ASP H H 102 8.597 8.987 -0.390 1
1 1116 . 2 1 1 A 102 102 ASP CA C 102 56.233 54.563 1.670 1
1 1117 . 2 1 1 A 102 102 ASP HA H 102 4.667 4.641 0.026 1
1 1118 . 2 1 1 A 102 102 ASP CB C 102 42.373 41.094 1.279 1
1 1120 . 2 1 1 A 102 102 ASP C C 102 176.970 176.076 0.894 1
1 1122 . 2 1 1 A 103 103 ILE N N 103 117.672 119.137 -1.465 1
1 1123 . 2 1 1 A 103 103 ILE H H 103 7.887 8.300 -0.413 1
1 1124 . 2 1 1 A 103 103 ILE CA C 103 61.025 59.980 1.045 1
1 1125 . 2 1 1 A 103 103 ILE HA H 103 4.526 4.488 0.038 1
1 1126 . 2 1 1 A 103 103 ILE CB C 103 35.534 37.624 -2.090 1
1 1138 . 2 1 1 A 103 103 ILE C C 103 173.902 176.552 -2.650 1
1 1140 . 2 1 1 A 104 104 PRO CA C 104 66.456 64.209 2.247 1
1 1141 . 2 1 1 A 104 104 PRO HA H 104 4.177 4.535 -0.358 1
1 1142 . 2 1 1 A 104 104 PRO CB C 104 31.709 31.610 0.099 1
1 1151 . 2 1 1 A 105 105 LEU N N 105 115.386 117.754 -2.368 1
1 1152 . 2 1 1 A 105 105 LEU H H 105 8.464 7.982 0.482 1
1 1153 . 2 1 1 A 105 105 LEU CA C 105 55.294 55.959 -0.665 1
1 1154 . 2 1 1 A 105 105 LEU HA H 105 3.845 4.275 -0.430 1
1 1155 . 2 1 1 A 105 105 LEU CB C 105 39.148 43.033 -3.885 1
1 1168 . 2 1 1 A 106 106 SER N N 106 111.669 113.929 -2.260 1
1 1169 . 2 1 1 A 106 106 SER H H 106 7.338 7.321 0.017 1
1 1170 . 2 1 1 A 106 106 SER CA C 106 54.750 56.742 -1.992 1
1 1171 . 2 1 1 A 106 106 SER HA H 106 4.347 4.714 -0.367 1
1 1172 . 2 1 1 A 106 106 SER CB C 106 64.133 63.602 0.531 1
1 1175 . 2 1 1 A 107 107 PRO CA C 107 62.344 62.458 -0.114 1
1 1176 . 2 1 1 A 107 107 PRO HA H 107 5.323 4.710 0.613 1
1 1177 . 2 1 1 A 107 107 PRO CB C 107 33.977 33.056 0.921 1
1 1183 . 2 1 1 A 107 107 PRO C C 107 176.003 174.775 1.228 1
1 1187 . 2 1 1 A 108 108 TYR N N 108 122.832 119.354 3.478 1
1 1188 . 2 1 1 A 108 108 TYR H H 108 9.294 8.469 0.825 1
1 1189 . 2 1 1 A 108 108 TYR CA C 108 57.629 56.691 0.938 1
1 1190 . 2 1 1 A 108 108 TYR HA H 108 4.428 4.979 -0.551 1
1 1191 . 2 1 1 A 108 108 TYR CB C 108 40.091 41.460 -1.369 1
1 1201 . 2 1 1 A 108 108 TYR C C 108 175.851 175.176 0.675 1
1 1203 . 2 1 1 A 109 109 ARG N N 109 122.941 122.752 0.189 1
1 1204 . 2 1 1 A 109 109 ARG H H 109 8.746 8.639 0.107 1
1 1205 . 2 1 1 A 109 109 ARG CA C 109 55.259 55.424 -0.165 1
1 1206 . 2 1 1 A 109 109 ARG HA H 109 5.189 4.861 0.328 1
1 1207 . 2 1 1 A 109 109 ARG CB C 109 30.879 30.951 -0.072 1
1 1213 . 2 1 1 A 109 109 ARG C C 109 175.522 175.662 -0.140 1
1 1217 . 2 1 1 A 110 110 ILE N N 110 125.109 123.682 1.427 1
1 1218 . 2 1 1 A 110 110 ILE H H 110 8.742 8.438 0.304 1
1 1219 . 2 1 1 A 110 110 ILE CA C 110 57.577 59.440 -1.863 1
1 1220 . 2 1 1 A 110 110 ILE HA H 110 4.758 4.856 -0.098 1
1 1221 . 2 1 1 A 110 110 ILE CB C 110 41.138 42.599 -1.461 1
1 1233 . 2 1 1 A 110 110 ILE C C 110 175.121 174.783 0.338 1
1 1235 . 2 1 1 A 111 111 ARG N N 111 125.357 124.234 1.123 1
1 1236 . 2 1 1 A 111 111 ARG H H 111 8.776 8.688 0.088 1
1 1237 . 2 1 1 A 111 111 ARG CA C 111 54.730 54.117 0.613 1
1 1238 . 2 1 1 A 111 111 ARG HA H 111 5.053 5.338 -0.285 1
1 1239 . 2 1 1 A 111 111 ARG CB C 111 32.685 33.377 -0.692 1
1 1245 . 2 1 1 A 111 111 ARG C C 111 174.163 175.347 -1.184 1
1 1249 . 2 1 1 A 112 112 ALA N N 112 127.119 127.892 -0.773 1
1 1250 . 2 1 1 A 112 112 ALA H H 112 9.208 8.368 0.840 1
1 1251 . 2 1 1 A 112 112 ALA CA C 112 49.945 51.686 -1.741 1
1 1252 . 2 1 1 A 112 112 ALA HA H 112 5.851 4.752 1.099 1
1 1253 . 2 1 1 A 112 112 ALA CB C 112 21.329 19.406 1.923 1
1 1257 . 2 1 1 A 112 112 ALA C C 112 178.853 176.862 1.991 1
1 1258 . 2 1 1 A 113 113 THR N N 113 116.033 115.942 0.091 1
1 1259 . 2 1 1 A 113 113 THR H H 113 8.995 8.926 0.069 1
1 1260 . 2 1 1 A 113 113 THR CA C 113 60.312 61.066 -0.754 1
1 1261 . 2 1 1 A 113 113 THR HA H 113 4.695 4.719 -0.024 1
1 1262 . 2 1 1 A 113 113 THR CB C 113 71.251 69.300 1.951 1
1 1268 . 2 1 1 A 113 113 THR C C 113 173.710 173.579 0.131 1
1 1269 . 2 1 1 A 114 114 GLN N N 114 122.122 126.966 -4.844 1
1 1270 . 2 1 1 A 114 114 GLN H H 114 8.753 8.927 -0.174 1
1 1271 . 2 1 1 A 114 114 GLN CA C 114 55.817 54.649 1.168 1
1 1272 . 2 1 1 A 114 114 GLN HA H 114 4.570 4.537 0.033 1
1 1273 . 2 1 1 A 114 114 GLN CB C 114 30.106 28.051 2.055 1
1 1280 . 2 1 1 A 114 114 GLN C C 114 176.106 174.949 1.157 1
1 1283 . 2 1 1 A 115 115 THR N N 115 117.345 113.611 3.734 1
1 1284 . 2 1 1 A 115 115 THR H H 115 8.493 7.520 0.973 1
1 1285 . 2 1 1 A 115 115 THR CA C 115 62.328 63.029 -0.701 1
1 1286 . 2 1 1 A 115 115 THR HA H 115 4.351 4.293 0.058 1
1 1287 . 2 1 1 A 115 115 THR CB C 115 69.874 68.697 1.177 1
1 1293 . 2 1 1 A 115 115 THR C C 115 175.158 174.370 0.788 1
1 1294 . 2 1 1 A 116 116 GLY N N 116 111.927 109.642 2.285 1
1 1295 . 2 1 1 A 116 116 GLY H H 116 8.559 8.517 0.042 1
1 1296 . 2 1 1 A 116 116 GLY CA C 116 45.315 43.846 1.469 1
1 1297 . 2 1 1 A 116 116 GLY HA3 H 116 3.934 4.108 -0.174 1
1 1298 . 2 1 1 A 116 116 GLY C C 116 173.820 170.972 2.848 1
1 1299 . 2 1 1 A 116 116 GLY HA2 H 116 4.030 4.108 -0.078 1
1 1300 . 2 1 1 A 117 117 ASP N N 117 120.643 119.931 0.712 1
1 1301 . 2 1 1 A 117 117 ASP H H 117 8.208 8.569 -0.361 1
1 1302 . 2 1 1 A 117 117 ASP CA C 117 54.393 53.723 0.670 1
1 1303 . 2 1 1 A 117 117 ASP HA H 117 4.615 5.374 -0.759 1
1 1304 . 2 1 1 A 117 117 ASP CB C 117 41.388 45.197 -3.809 1
1 1306 . 2 1 1 A 117 117 ASP C C 117 175.973 174.482 1.491 1
1 1308 . 2 1 1 A 118 118 ALA N N 118 124.934 126.978 -2.044 1
1 1309 . 2 1 1 A 118 118 ALA H H 118 8.312 8.680 -0.368 1
1 1310 . 2 1 1 A 118 118 ALA CA C 118 52.447 52.861 -0.414 1
1 1311 . 2 1 1 A 118 118 ALA HA H 118 4.415 4.422 -0.007 1
1 1312 . 2 1 1 A 118 118 ALA CB C 118 19.339 19.107 0.232 1
1 1316 . 2 1 1 A 118 118 ALA C C 118 176.848 177.104 -0.256 1
1 1 . 3 1 1 A 9 9 SER HA H 9 4.733 4.705 0.028 1
1 2 . 3 1 1 A 10 10 PRO CA C 10 63.335 62.391 0.944 1
1 3 . 3 1 1 A 10 10 PRO HA H 10 4.399 4.649 -0.250 1
1 4 . 3 1 1 A 10 10 PRO CB C 10 31.938 33.001 -1.063 1
1 10 . 3 1 1 A 10 10 PRO C C 10 176.442 175.543 0.899 1
1 14 . 3 1 1 A 11 11 PHE N N 11 119.801 121.763 -1.962 1
1 15 . 3 1 1 A 11 11 PHE H H 11 8.036 8.797 -0.761 1
1 16 . 3 1 1 A 11 11 PHE CA C 11 57.505 56.366 1.139 1
1 17 . 3 1 1 A 11 11 PHE HA H 11 4.606 4.951 -0.345 1
1 18 . 3 1 1 A 11 11 PHE CB C 11 39.592 40.041 -0.449 1
1 30 . 3 1 1 A 11 11 PHE C C 11 175.401 174.680 0.721 1
1 32 . 3 1 1 A 12 12 LYS N N 12 123.563 119.572 3.991 1
1 33 . 3 1 1 A 12 12 LYS H H 12 8.112 8.673 -0.561 1
1 34 . 3 1 1 A 12 12 LYS CA C 12 56.175 54.841 1.334 1
1 35 . 3 1 1 A 12 12 LYS HA H 12 4.322 5.063 -0.741 1
1 36 . 3 1 1 A 12 12 LYS CB C 12 33.352 35.997 -2.645 1
1 44 . 3 1 1 A 12 12 LYS C C 12 175.802 175.428 0.374 1
1 49 . 3 1 1 A 13 13 VAL N N 13 122.071 119.379 2.692 1
1 50 . 3 1 1 A 13 13 VAL H H 13 8.080 8.542 -0.462 1
1 51 . 3 1 1 A 13 13 VAL CA C 13 62.280 61.042 1.238 1
1 52 . 3 1 1 A 13 13 VAL HA H 13 4.036 4.415 -0.379 1
1 53 . 3 1 1 A 13 13 VAL CB C 13 32.895 33.179 -0.284 1
1 63 . 3 1 1 A 13 13 VAL C C 13 175.814 175.066 0.748 1
1 64 . 3 1 1 A 14 14 LYS N N 14 125.874 120.960 4.914 1
1 65 . 3 1 1 A 14 14 LYS H H 14 8.392 8.525 -0.133 1
1 66 . 3 1 1 A 14 14 LYS CA C 14 56.250 55.904 0.346 1
1 67 . 3 1 1 A 14 14 LYS HA H 14 4.322 4.668 -0.346 1
1 68 . 3 1 1 A 14 14 LYS CB C 14 33.193 36.624 -3.431 1
1 73 . 3 1 1 A 14 14 LYS C C 14 175.973 174.279 1.694 1
1 75 . 3 1 1 A 15 15 VAL N N 15 123.129 119.256 3.873 1
1 76 . 3 1 1 A 15 15 VAL H H 15 8.204 8.624 -0.420 1
1 77 . 3 1 1 A 15 15 VAL CA C 15 62.033 59.848 2.185 1
1 78 . 3 1 1 A 15 15 VAL HA H 15 4.100 4.702 -0.602 1
1 79 . 3 1 1 A 15 15 VAL CB C 15 32.858 34.362 -1.504 1
1 89 . 3 1 1 A 15 15 VAL C C 15 175.717 175.827 -0.110 1
1 90 . 3 1 1 A 16 16 LEU N N 16 127.971 124.251 3.720 1
1 91 . 3 1 1 A 16 16 LEU H H 16 8.378 8.376 0.002 1
1 92 . 3 1 1 A 16 16 LEU CA C 16 52.885 53.949 -1.064 1
1 93 . 3 1 1 A 16 16 LEU HA H 16 4.624 4.265 0.359 1
1 94 . 3 1 1 A 16 16 LEU CB C 16 41.706 41.634 0.072 1
1 106 . 3 1 1 A 16 16 LEU C C 16 175.092 175.035 0.057 1
1 108 . 3 1 1 A 17 17 PRO CA C 17 62.704 62.525 0.179 1
1 109 . 3 1 1 A 17 17 PRO HA H 17 4.556 4.711 -0.155 1
1 110 . 3 1 1 A 17 17 PRO CB C 17 32.293 33.587 -1.294 1
1 116 . 3 1 1 A 17 17 PRO C C 17 177.319 176.759 0.560 1
1 120 . 3 1 1 A 18 18 THR N N 18 112.726 113.091 -0.365 1
1 121 . 3 1 1 A 18 18 THR H H 18 8.497 8.757 -0.260 1
1 122 . 3 1 1 A 18 18 THR CA C 18 62.335 62.351 -0.016 1
1 123 . 3 1 1 A 18 18 THR HA H 18 4.352 4.442 -0.090 1
1 124 . 3 1 1 A 18 18 THR CB C 18 69.700 70.045 -0.345 1
1 130 . 3 1 1 A 18 18 THR C C 18 173.418 174.186 -0.768 1
1 131 . 3 1 1 A 19 19 TYR N N 19 118.883 120.338 -1.455 1
1 132 . 3 1 1 A 19 19 TYR H H 19 7.244 7.799 -0.555 1
1 133 . 3 1 1 A 19 19 TYR CA C 19 55.270 58.079 -2.809 1
1 134 . 3 1 1 A 19 19 TYR HA H 19 5.404 4.512 0.892 1
1 135 . 3 1 1 A 19 19 TYR CB C 19 40.974 39.528 1.446 1
1 145 . 3 1 1 A 19 19 TYR C C 19 174.318 175.328 -1.010 1
1 147 . 3 1 1 A 20 20 ASP N N 20 118.193 120.146 -1.953 1
1 148 . 3 1 1 A 20 20 ASP H H 20 8.686 8.955 -0.269 1
1 149 . 3 1 1 A 20 20 ASP CA C 20 53.226 53.264 -0.038 1
1 150 . 3 1 1 A 20 20 ASP HA H 20 4.539 5.113 -0.574 1
1 151 . 3 1 1 A 20 20 ASP CB C 20 41.490 43.602 -2.112 1
1 153 . 3 1 1 A 20 20 ASP C C 20 176.349 176.181 0.168 1
1 155 . 3 1 1 A 21 21 ALA N N 21 127.255 128.443 -1.188 1
1 156 . 3 1 1 A 21 21 ALA H H 21 9.404 9.186 0.218 1
1 157 . 3 1 1 A 21 21 ALA CA C 21 55.157 55.796 -0.639 1
1 158 . 3 1 1 A 21 21 ALA HA H 21 4.204 4.100 0.104 1
1 159 . 3 1 1 A 21 21 ALA CB C 21 19.890 18.271 1.619 1
1 163 . 3 1 1 A 21 21 ALA C C 21 178.113 179.622 -1.509 1
1 164 . 3 1 1 A 22 22 SER N N 22 110.959 114.031 -3.072 1
1 165 . 3 1 1 A 22 22 SER H H 22 8.397 8.014 0.383 1
1 166 . 3 1 1 A 22 22 SER CA C 22 60.794 61.406 -0.612 1
1 167 . 3 1 1 A 22 22 SER HA H 22 4.363 4.212 0.151 1
1 168 . 3 1 1 A 22 22 SER CB C 22 62.850 63.181 -0.331 1
1 170 . 3 1 1 A 22 22 SER C C 22 175.425 175.583 -0.158 1
1 172 . 3 1 1 A 23 23 LYS N N 23 119.671 116.534 3.137 1
1 173 . 3 1 1 A 23 23 LYS H H 23 7.366 7.310 0.056 1
1 174 . 3 1 1 A 23 23 LYS CA C 23 54.818 55.947 -1.129 1
1 175 . 3 1 1 A 23 23 LYS HA H 23 4.368 4.400 -0.032 1
1 176 . 3 1 1 A 23 23 LYS CB C 23 33.063 32.424 0.639 1
1 184 . 3 1 1 A 23 23 LYS C C 23 176.544 174.773 1.771 1
1 189 . 3 1 1 A 24 24 VAL N N 24 123.377 119.697 3.680 1
1 190 . 3 1 1 A 24 24 VAL H H 24 7.392 7.325 0.067 1
1 191 . 3 1 1 A 24 24 VAL CA C 24 62.722 61.103 1.619 1
1 192 . 3 1 1 A 24 24 VAL HA H 24 4.184 4.636 -0.452 1
1 193 . 3 1 1 A 24 24 VAL CB C 24 31.780 33.848 -2.068 1
1 203 . 3 1 1 A 24 24 VAL C C 24 175.644 175.350 0.294 1
1 204 . 3 1 1 A 25 25 THR N N 25 117.441 117.655 -0.214 1
1 205 . 3 1 1 A 25 25 THR H H 25 8.384 8.880 -0.496 1
1 206 . 3 1 1 A 25 25 THR CA C 25 59.858 59.631 0.227 1
1 207 . 3 1 1 A 25 25 THR HA H 25 4.784 5.223 -0.439 1
1 208 . 3 1 1 A 25 25 THR CB C 25 71.687 72.082 -0.395 1
1 214 . 3 1 1 A 25 25 THR C C 25 172.360 173.328 -0.968 1
1 215 . 3 1 1 A 26 26 ALA N N 26 123.956 122.939 1.017 1
1 216 . 3 1 1 A 26 26 ALA H H 26 8.440 8.737 -0.297 1
1 217 . 3 1 1 A 26 26 ALA CA C 26 51.022 51.103 -0.081 1
1 218 . 3 1 1 A 26 26 ALA HA H 26 5.575 5.367 0.208 1
1 219 . 3 1 1 A 26 26 ALA CB C 26 22.576 23.680 -1.104 1
1 223 . 3 1 1 A 26 26 ALA C C 26 176.301 175.319 0.982 1
1 224 . 3 1 1 A 27 27 SER N N 27 114.430 114.402 0.028 1
1 225 . 3 1 1 A 27 27 SER H H 27 9.021 8.456 0.565 1
1 226 . 3 1 1 A 27 27 SER CA C 27 57.771 57.448 0.323 1
1 227 . 3 1 1 A 27 27 SER HA H 27 4.745 5.407 -0.662 1
1 228 . 3 1 1 A 27 27 SER CB C 27 65.911 67.463 -1.552 1
1 230 . 3 1 1 A 27 27 SER C C 27 172.798 173.134 -0.336 1
1 232 . 3 1 1 A 28 28 GLY N N 28 108.618 110.131 -1.513 1
1 233 . 3 1 1 A 28 28 GLY H H 28 8.516 8.445 0.071 1
1 234 . 3 1 1 A 28 28 GLY CA C 28 44.966 44.642 0.324 1
1 235 . 3 1 1 A 28 28 GLY HA3 H 28 4.102 4.298 -0.196 1
1 236 . 3 1 1 A 28 28 GLY C C 28 173.392 174.196 -0.804 1
1 237 . 3 1 1 A 28 28 GLY HA2 H 28 5.026 4.250 0.776 1
1 238 . 3 1 1 A 29 29 PRO CA C 29 65.446 65.046 0.400 1
1 239 . 3 1 1 A 29 29 PRO HA H 29 4.399 4.435 -0.036 1
1 240 . 3 1 1 A 29 29 PRO CB C 29 31.739 32.079 -0.340 1
1 246 . 3 1 1 A 29 29 PRO C C 29 179.804 178.595 1.209 1
1 250 . 3 1 1 A 30 30 GLY N N 30 103.199 106.200 -3.001 1
1 251 . 3 1 1 A 30 30 GLY H H 30 9.156 8.595 0.561 1
1 252 . 3 1 1 A 30 30 GLY CA C 30 46.458 47.157 -0.699 1
1 253 . 3 1 1 A 30 30 GLY HA3 H 30 3.331 4.350 -1.019 1
1 254 . 3 1 1 A 30 30 GLY C C 30 171.694 174.872 -3.178 1
1 255 . 3 1 1 A 30 30 GLY HA2 H 30 4.062 4.234 -0.172 1
1 256 . 3 1 1 A 31 31 LEU N N 31 116.112 119.449 -3.337 1
1 257 . 3 1 1 A 31 31 LEU H H 31 7.351 7.781 -0.430 1
1 258 . 3 1 1 A 31 31 LEU CA C 31 52.607 54.182 -1.575 1
1 259 . 3 1 1 A 31 31 LEU HA H 31 4.269 4.555 -0.286 1
1 260 . 3 1 1 A 31 31 LEU CB C 31 41.265 41.567 -0.302 1
1 272 . 3 1 1 A 31 31 LEU C C 31 176.751 176.321 0.430 1
1 274 . 3 1 1 A 32 32 SER N N 32 114.056 117.985 -3.929 1
1 275 . 3 1 1 A 32 32 SER H H 32 6.986 7.970 -0.984 1
1 276 . 3 1 1 A 32 32 SER CA C 32 58.750 58.443 0.307 1
1 277 . 3 1 1 A 32 32 SER HA H 32 4.268 4.460 -0.192 1
1 278 . 3 1 1 A 32 32 SER CB C 32 64.571 64.259 0.312 1
1 280 . 3 1 1 A 32 32 SER C C 32 176.483 175.597 0.886 1
1 282 . 3 1 1 A 33 33 SER N N 33 123.249 123.813 -0.564 1
1 283 . 3 1 1 A 33 33 SER H H 33 8.887 9.076 -0.189 1
1 284 . 3 1 1 A 33 33 SER CA C 33 60.176 61.467 -1.291 1
1 285 . 3 1 1 A 33 33 SER HA H 33 4.409 4.127 0.282 1
1 286 . 3 1 1 A 33 33 SER CB C 33 63.098 62.309 0.789 1
1 288 . 3 1 1 A 33 33 SER C C 33 174.922 176.040 -1.118 1
1 290 . 3 1 1 A 34 34 TYR N N 34 120.641 119.705 0.936 1
1 291 . 3 1 1 A 34 34 TYR H H 34 8.225 8.222 0.003 1
1 292 . 3 1 1 A 34 34 TYR CA C 34 58.266 60.194 -1.928 1
1 293 . 3 1 1 A 34 34 TYR HA H 34 4.622 4.320 0.302 1
1 294 . 3 1 1 A 34 34 TYR CB C 34 38.478 38.727 -0.249 1
1 304 . 3 1 1 A 34 34 TYR C C 34 175.881 176.121 -0.240 1
1 306 . 3 1 1 A 35 35 GLY N N 35 109.142 105.482 3.660 1
1 307 . 3 1 1 A 35 35 GLY H H 35 7.416 7.184 0.232 1
1 308 . 3 1 1 A 35 35 GLY CA C 35 44.524 44.624 -0.100 1
1 309 . 3 1 1 A 35 35 GLY HA3 H 35 4.411 4.120 0.291 1
1 310 . 3 1 1 A 35 35 GLY C C 35 172.956 172.295 0.661 1
1 311 . 3 1 1 A 35 35 GLY HA2 H 35 4.324 4.118 0.206 1
1 312 . 3 1 1 A 36 36 VAL N N 36 116.841 116.017 0.824 1
1 313 . 3 1 1 A 36 36 VAL H H 36 8.617 8.745 -0.128 1
1 314 . 3 1 1 A 36 36 VAL CA C 36 57.700 58.091 -0.391 1
1 315 . 3 1 1 A 36 36 VAL HA H 36 4.880 4.975 -0.095 1
1 316 . 3 1 1 A 36 36 VAL CB C 36 33.474 33.878 -0.404 1
1 326 . 3 1 1 A 36 36 VAL C C 36 173.489 173.549 -0.060 1
1 327 . 3 1 1 A 37 37 PRO CA C 37 62.200 62.401 -0.201 1
1 328 . 3 1 1 A 37 37 PRO HA H 37 4.646 4.715 -0.069 1
1 329 . 3 1 1 A 37 37 PRO CB C 37 31.876 31.753 0.123 1
1 335 . 3 1 1 A 37 37 PRO C C 37 177.148 176.919 0.229 1
1 339 . 3 1 1 A 38 38 ALA N N 38 124.330 125.026 -0.696 1
1 340 . 3 1 1 A 38 38 ALA H H 38 8.591 8.352 0.239 1
1 341 . 3 1 1 A 38 38 ALA CA C 38 52.606 52.549 0.057 1
1 342 . 3 1 1 A 38 38 ALA HA H 38 4.189 4.250 -0.061 1
1 343 . 3 1 1 A 38 38 ALA CB C 38 18.928 19.717 -0.789 1
1 347 . 3 1 1 A 38 38 ALA C C 38 178.418 177.942 0.476 1
1 348 . 3 1 1 A 39 39 SER N N 39 109.435 111.635 -2.200 1
1 349 . 3 1 1 A 39 39 SER H H 39 8.687 8.453 0.234 1
1 350 . 3 1 1 A 39 39 SER CA C 39 61.147 59.106 2.041 1
1 351 . 3 1 1 A 39 39 SER HA H 39 3.770 3.982 -0.212 1
1 352 . 3 1 1 A 39 39 SER CB C 39 62.322 61.991 0.331 1
1 354 . 3 1 1 A 39 39 SER C C 39 172.372 172.753 -0.381 1
1 356 . 3 1 1 A 40 40 LEU N N 40 121.668 119.864 1.804 1
1 357 . 3 1 1 A 40 40 LEU H H 40 6.981 7.745 -0.764 1
1 358 . 3 1 1 A 40 40 LEU CA C 40 51.707 51.217 0.490 1
1 359 . 3 1 1 A 40 40 LEU HA H 40 4.890 4.745 0.145 1
1 360 . 3 1 1 A 40 40 LEU CB C 40 43.441 45.226 -1.785 1
1 372 . 3 1 1 A 40 40 LEU C C 40 173.635 174.131 -0.496 1
1 374 . 3 1 1 A 41 41 PRO CA C 41 62.683 62.392 0.291 1
1 375 . 3 1 1 A 41 41 PRO HA H 41 4.490 4.626 -0.136 1
1 376 . 3 1 1 A 41 41 PRO CB C 41 31.415 30.742 0.673 1
1 382 . 3 1 1 A 41 41 PRO C C 41 175.540 175.183 0.357 1
1 386 . 3 1 1 A 42 42 VAL N N 42 124.505 122.527 1.978 1
1 387 . 3 1 1 A 42 42 VAL H H 42 8.917 7.722 1.195 1
1 388 . 3 1 1 A 42 42 VAL CA C 42 60.282 59.484 0.798 1
1 389 . 3 1 1 A 42 42 VAL HA H 42 4.408 4.624 -0.216 1
1 390 . 3 1 1 A 42 42 VAL CB C 42 34.522 34.235 0.287 1
1 400 . 3 1 1 A 42 42 VAL C C 42 171.180 174.178 -2.998 1
1 401 . 3 1 1 A 43 43 ASP N N 43 121.538 126.910 -5.372 1
1 402 . 3 1 1 A 43 43 ASP H H 43 7.549 9.137 -1.588 1
1 403 . 3 1 1 A 43 43 ASP CA C 43 51.968 52.398 -0.430 1
1 404 . 3 1 1 A 43 43 ASP HA H 43 6.324 5.816 0.508 1
1 405 . 3 1 1 A 43 43 ASP CB C 43 44.949 44.812 0.137 1
1 407 . 3 1 1 A 43 43 ASP C C 43 177.711 174.909 2.802 1
1 409 . 3 1 1 A 44 44 PHE N N 44 112.517 117.397 -4.880 1
1 410 . 3 1 1 A 44 44 PHE H H 44 9.044 7.755 1.289 1
1 411 . 3 1 1 A 44 44 PHE CA C 44 57.658 54.952 2.706 1
1 412 . 3 1 1 A 44 44 PHE HA H 44 5.069 5.499 -0.430 1
1 413 . 3 1 1 A 44 44 PHE CB C 44 41.220 42.025 -0.805 1
1 425 . 3 1 1 A 44 44 PHE C C 44 171.679 173.335 -1.656 1
1 427 . 3 1 1 A 45 45 ALA N N 45 123.935 121.135 2.800 1
1 428 . 3 1 1 A 45 45 ALA H H 45 9.468 8.994 0.474 1
1 429 . 3 1 1 A 45 45 ALA CA C 45 50.855 50.630 0.225 1
1 430 . 3 1 1 A 45 45 ALA HA H 45 5.379 5.594 -0.215 1
1 431 . 3 1 1 A 45 45 ALA CB C 45 22.496 22.358 0.138 1
1 435 . 3 1 1 A 45 45 ALA C C 45 176.715 175.808 0.907 1
1 436 . 3 1 1 A 46 46 ILE N N 46 119.530 123.733 -4.203 1
1 437 . 3 1 1 A 46 46 ILE H H 46 8.686 9.653 -0.967 1
1 438 . 3 1 1 A 46 46 ILE CA C 46 59.561 60.842 -1.281 1
1 439 . 3 1 1 A 46 46 ILE HA H 46 4.863 4.749 0.114 1
1 440 . 3 1 1 A 46 46 ILE CB C 46 41.370 37.977 3.393 1
1 452 . 3 1 1 A 46 46 ILE C C 46 174.379 174.734 -0.355 1
1 454 . 3 1 1 A 47 47 ASP N N 47 127.143 127.723 -0.580 1
1 455 . 3 1 1 A 47 47 ASP H H 47 9.281 9.089 0.192 1
1 456 . 3 1 1 A 47 47 ASP CA C 47 53.297 53.762 -0.465 1
1 457 . 3 1 1 A 47 47 ASP HA H 47 4.976 5.159 -0.183 1
1 458 . 3 1 1 A 47 47 ASP CB C 47 41.371 42.016 -0.645 1
1 460 . 3 1 1 A 47 47 ASP C C 47 174.962 175.074 -0.112 1
1 462 . 3 1 1 A 48 48 ALA N N 48 129.371 128.784 0.587 1
1 463 . 3 1 1 A 48 48 ALA H H 48 9.078 8.585 0.493 1
1 464 . 3 1 1 A 48 48 ALA CA C 48 50.554 50.713 -0.159 1
1 465 . 3 1 1 A 48 48 ALA HA H 48 4.641 4.939 -0.298 1
1 466 . 3 1 1 A 48 48 ALA CB C 48 19.699 20.776 -1.077 1
1 470 . 3 1 1 A 48 48 ALA C C 48 179.317 176.508 2.809 1
1 471 . 3 1 1 A 49 49 ARG N N 49 122.060 124.534 -2.474 1
1 472 . 3 1 1 A 49 49 ARG H H 49 8.590 8.962 -0.372 1
1 473 . 3 1 1 A 49 49 ARG CA C 49 60.964 57.630 3.334 1
1 474 . 3 1 1 A 49 49 ARG HA H 49 3.987 4.498 -0.511 1
1 475 . 3 1 1 A 49 49 ARG CB C 49 30.654 31.288 -0.634 1
1 483 . 3 1 1 A 49 49 ARG C C 49 178.077 177.126 0.951 1
1 487 . 3 1 1 A 50 50 ASP N N 50 116.664 115.746 0.918 1
1 488 . 3 1 1 A 50 50 ASP H H 50 8.794 8.032 0.762 1
1 489 . 3 1 1 A 50 50 ASP CA C 50 53.827 53.625 0.202 1
1 490 . 3 1 1 A 50 50 ASP HA H 50 5.040 4.919 0.121 1
1 491 . 3 1 1 A 50 50 ASP CB C 50 41.595 41.714 -0.119 1
1 493 . 3 1 1 A 50 50 ASP C C 50 175.754 176.441 -0.687 1
1 495 . 3 1 1 A 51 51 ALA N N 51 121.173 122.767 -1.594 1
1 496 . 3 1 1 A 51 51 ALA H H 51 7.406 7.934 -0.528 1
1 497 . 3 1 1 A 51 51 ALA CA C 51 52.147 51.579 0.568 1
1 498 . 3 1 1 A 51 51 ALA HA H 51 4.414 4.294 0.120 1
1 499 . 3 1 1 A 51 51 ALA CB C 51 23.427 18.582 4.845 1
1 503 . 3 1 1 A 51 51 ALA C C 51 176.763 177.830 -1.067 1
1 504 . 3 1 1 A 52 52 GLY N N 52 108.187 107.005 1.182 1
1 505 . 3 1 1 A 52 52 GLY H H 52 8.521 8.146 0.375 1
1 506 . 3 1 1 A 52 52 GLY CA C 52 45.210 47.125 -1.915 1
1 507 . 3 1 1 A 52 52 GLY HA3 H 52 3.859 3.933 -0.074 1
1 508 . 3 1 1 A 52 52 GLY C C 52 175.060 173.720 1.340 1
1 509 . 3 1 1 A 52 52 GLY HA2 H 52 4.492 3.890 0.602 1
1 510 . 3 1 1 A 53 53 GLU N N 53 124.810 120.805 4.005 1
1 511 . 3 1 1 A 53 53 GLU H H 53 8.643 8.519 0.124 1
1 512 . 3 1 1 A 53 53 GLU CA C 53 56.352 54.691 1.661 1
1 513 . 3 1 1 A 53 53 GLU HA H 53 4.663 5.313 -0.650 1
1 514 . 3 1 1 A 53 53 GLU CB C 53 31.164 32.736 -1.572 1
1 518 . 3 1 1 A 53 53 GLU C C 53 173.491 174.666 -1.175 1
1 521 . 3 1 1 A 54 54 GLY N N 54 111.417 109.154 2.263 1
1 522 . 3 1 1 A 54 54 GLY H H 54 7.465 8.195 -0.730 1
1 523 . 3 1 1 A 54 54 GLY CA C 54 43.622 44.752 -1.130 1
1 524 . 3 1 1 A 54 54 GLY HA3 H 54 2.287 4.042 -1.755 1
1 525 . 3 1 1 A 54 54 GLY C C 54 170.013 171.390 -1.377 1
1 526 . 3 1 1 A 54 54 GLY HA2 H 54 3.819 3.770 0.049 1
1 527 . 3 1 1 A 55 55 LEU N N 55 117.446 122.354 -4.908 1
1 528 . 3 1 1 A 55 55 LEU H H 55 7.461 7.893 -0.432 1
1 529 . 3 1 1 A 55 55 LEU CA C 55 54.041 54.203 -0.162 1
1 530 . 3 1 1 A 55 55 LEU HA H 55 4.293 4.341 -0.048 1
1 531 . 3 1 1 A 55 55 LEU CB C 55 42.832 42.888 -0.056 1
1 543 . 3 1 1 A 55 55 LEU C C 55 176.872 175.419 1.453 1
1 545 . 3 1 1 A 56 56 LEU N N 56 131.840 128.487 3.353 1
1 546 . 3 1 1 A 56 56 LEU H H 56 8.791 8.469 0.322 1
1 547 . 3 1 1 A 56 56 LEU CA C 56 53.807 54.275 -0.468 1
1 548 . 3 1 1 A 56 56 LEU HA H 56 5.053 4.657 0.396 1
1 549 . 3 1 1 A 56 56 LEU CB C 56 43.113 43.980 -0.867 1
1 561 . 3 1 1 A 56 56 LEU C C 56 175.389 175.035 0.354 1
1 563 . 3 1 1 A 57 57 ALA N N 57 130.035 128.138 1.897 1
1 564 . 3 1 1 A 57 57 ALA H H 57 8.880 8.372 0.508 1
1 565 . 3 1 1 A 57 57 ALA CA C 57 51.758 50.008 1.750 1
1 566 . 3 1 1 A 57 57 ALA HA H 57 4.641 5.284 -0.643 1
1 567 . 3 1 1 A 57 57 ALA CB C 57 21.820 23.467 -1.647 1
1 571 . 3 1 1 A 57 57 ALA C C 57 174.647 175.728 -1.081 1
1 572 . 3 1 1 A 58 58 VAL N N 58 120.958 120.129 0.829 1
1 573 . 3 1 1 A 58 58 VAL H H 58 8.443 8.765 -0.322 1
1 574 . 3 1 1 A 58 58 VAL CA C 58 60.495 61.252 -0.757 1
1 575 . 3 1 1 A 58 58 VAL HA H 58 4.988 4.718 0.270 1
1 576 . 3 1 1 A 58 58 VAL CB C 58 34.639 34.457 0.182 1
1 586 . 3 1 1 A 58 58 VAL C C 58 174.646 174.355 0.291 1
1 587 . 3 1 1 A 59 59 GLN N N 59 127.048 128.736 -1.688 1
1 588 . 3 1 1 A 59 59 GLN H H 59 9.196 9.177 0.019 1
1 589 . 3 1 1 A 59 59 GLN CA C 59 54.587 54.257 0.330 1
1 590 . 3 1 1 A 59 59 GLN HA H 59 4.706 4.955 -0.249 1
1 591 . 3 1 1 A 59 59 GLN CB C 59 31.580 30.960 0.620 1
1 598 . 3 1 1 A 59 59 GLN C C 59 174.197 174.384 -0.187 1
1 601 . 3 1 1 A 60 60 ILE N N 60 127.617 127.395 0.222 1
1 602 . 3 1 1 A 60 60 ILE H H 60 9.299 9.014 0.285 1
1 603 . 3 1 1 A 60 60 ILE CA C 60 60.506 60.130 0.376 1
1 604 . 3 1 1 A 60 60 ILE HA H 60 5.210 4.920 0.290 1
1 605 . 3 1 1 A 60 60 ILE CB C 60 39.172 40.260 -1.088 1
1 617 . 3 1 1 A 60 60 ILE C C 60 175.608 175.347 0.261 1
1 619 . 3 1 1 A 61 61 THR N N 61 119.733 117.674 2.059 1
1 620 . 3 1 1 A 61 61 THR H H 61 8.924 9.014 -0.090 1
1 621 . 3 1 1 A 61 61 THR CA C 61 59.565 59.425 0.140 1
1 622 . 3 1 1 A 61 61 THR HA H 61 5.173 5.726 -0.553 1
1 623 . 3 1 1 A 61 61 THR CB C 61 72.121 72.832 -0.711 1
1 629 . 3 1 1 A 61 61 THR C C 61 174.051 173.272 0.779 1
1 630 . 3 1 1 A 62 62 ASP N N 62 122.337 120.378 1.959 1
1 631 . 3 1 1 A 62 62 ASP H H 62 8.484 8.381 0.103 1
1 632 . 3 1 1 A 62 62 ASP CA C 62 52.200 51.448 0.752 1
1 633 . 3 1 1 A 62 62 ASP HA H 62 4.425 4.726 -0.301 1
1 634 . 3 1 1 A 62 62 ASP CB C 62 42.222 42.337 -0.115 1
1 636 . 3 1 1 A 62 62 ASP C C 62 179.086 177.747 1.339 1
1 638 . 3 1 1 A 63 63 GLN N N 63 118.341 117.602 0.739 1
1 639 . 3 1 1 A 63 63 GLN H H 63 8.250 8.799 -0.549 1
1 640 . 3 1 1 A 63 63 GLN CA C 63 58.406 58.514 -0.108 1
1 641 . 3 1 1 A 63 63 GLN HA H 63 4.049 4.080 -0.031 1
1 642 . 3 1 1 A 63 63 GLN CB C 63 28.127 27.849 0.278 1
1 649 . 3 1 1 A 63 63 GLN C C 63 177.152 178.242 -1.090 1
1 652 . 3 1 1 A 64 64 GLU N N 64 119.134 119.638 -0.504 1
1 653 . 3 1 1 A 64 64 GLU H H 64 8.120 7.702 0.418 1
1 654 . 3 1 1 A 64 64 GLU CA C 64 55.790 57.168 -1.378 1
1 655 . 3 1 1 A 64 64 GLU HA H 64 4.423 4.339 0.084 1
1 656 . 3 1 1 A 64 64 GLU CB C 64 30.102 30.366 -0.264 1
1 660 . 3 1 1 A 64 64 GLU C C 64 176.374 176.650 -0.276 1
1 663 . 3 1 1 A 65 65 GLY N N 65 108.728 108.337 0.391 1
1 664 . 3 1 1 A 65 65 GLY H H 65 8.306 8.063 0.243 1
1 665 . 3 1 1 A 65 65 GLY CA C 65 45.285 45.873 -0.588 1
1 666 . 3 1 1 A 65 65 GLY HA3 H 65 3.561 3.906 -0.345 1
1 667 . 3 1 1 A 65 65 GLY C C 65 174.342 174.461 -0.119 1
1 668 . 3 1 1 A 65 65 GLY HA2 H 65 4.203 3.903 0.300 1
1 669 . 3 1 1 A 66 66 LYS N N 66 123.502 120.270 3.232 1
1 670 . 3 1 1 A 66 66 LYS H H 66 8.528 8.195 0.333 1
1 671 . 3 1 1 A 66 66 LYS CA C 66 53.738 53.262 0.476 1
1 672 . 3 1 1 A 66 66 LYS HA H 66 4.613 4.694 -0.081 1
1 673 . 3 1 1 A 66 66 LYS CB C 66 31.167 32.177 -1.010 1
1 681 . 3 1 1 A 66 66 LYS C C 66 174.752 174.024 0.728 1
1 686 . 3 1 1 A 67 67 PRO CA C 67 62.433 62.727 -0.294 1
1 687 . 3 1 1 A 67 67 PRO HA H 67 5.062 4.712 0.350 1
1 688 . 3 1 1 A 67 67 PRO CB C 67 32.725 32.555 0.170 1
1 694 . 3 1 1 A 67 67 PRO C C 67 177.270 176.148 1.122 1
1 698 . 3 1 1 A 68 68 LYS N N 68 121.461 121.549 -0.088 1
1 699 . 3 1 1 A 68 68 LYS H H 68 8.419 8.551 -0.132 1
1 700 . 3 1 1 A 68 68 LYS CA C 68 52.023 54.749 -2.726 1
1 701 . 3 1 1 A 68 68 LYS HA H 68 4.797 4.833 -0.036 1
1 702 . 3 1 1 A 68 68 LYS CB C 68 32.611 35.984 -3.373 1
1 710 . 3 1 1 A 68 68 LYS C C 68 175.389 175.318 0.071 1
1 715 . 3 1 1 A 69 69 ARG N N 69 124.040 124.329 -0.289 1
1 716 . 3 1 1 A 69 69 ARG H H 69 8.683 8.606 0.077 1
1 717 . 3 1 1 A 69 69 ARG CA C 69 57.045 57.042 0.003 1
1 718 . 3 1 1 A 69 69 ARG HA H 69 4.221 4.459 -0.238 1
1 719 . 3 1 1 A 69 69 ARG CB C 69 30.712 30.628 0.084 1
1 725 . 3 1 1 A 69 69 ARG C C 69 174.877 175.543 -0.666 1
1 729 . 3 1 1 A 70 70 ALA N N 70 127.074 127.013 0.061 1
1 730 . 3 1 1 A 70 70 ALA H H 70 8.421 8.644 -0.223 1
1 731 . 3 1 1 A 70 70 ALA CA C 70 50.360 50.349 0.011 1
1 732 . 3 1 1 A 70 70 ALA HA H 70 4.859 5.204 -0.345 1
1 733 . 3 1 1 A 70 70 ALA CB C 70 20.569 23.611 -3.042 1
1 737 . 3 1 1 A 70 70 ALA C C 70 176.313 175.649 0.664 1
1 738 . 3 1 1 A 71 71 ILE N N 71 124.496 119.880 4.616 1
1 739 . 3 1 1 A 71 71 ILE H H 71 8.943 8.445 0.498 1
1 740 . 3 1 1 A 71 71 ILE CA C 71 60.870 59.749 1.121 1
1 741 . 3 1 1 A 71 71 ILE HA H 71 4.195 4.794 -0.599 1
1 742 . 3 1 1 A 71 71 ILE CB C 71 38.457 40.527 -2.070 1
1 754 . 3 1 1 A 71 71 ILE C C 71 175.027 174.298 0.729 1
1 756 . 3 1 1 A 72 72 VAL N N 72 128.410 127.757 0.653 1
1 757 . 3 1 1 A 72 72 VAL H H 72 8.714 8.943 -0.229 1
1 758 . 3 1 1 A 72 72 VAL CA C 72 61.867 59.969 1.898 1
1 759 . 3 1 1 A 72 72 VAL HA H 72 4.478 4.802 -0.324 1
1 760 . 3 1 1 A 72 72 VAL CB C 72 32.745 34.137 -1.392 1
1 770 . 3 1 1 A 72 72 VAL C C 72 175.279 173.781 1.498 1
1 771 . 3 1 1 A 73 73 HIS N N 73 129.084 129.128 -0.044 1
1 772 . 3 1 1 A 73 73 HIS H H 73 9.783 9.110 0.673 1
1 773 . 3 1 1 A 73 73 HIS CA C 73 55.366 55.003 0.363 1
1 774 . 3 1 1 A 73 73 HIS HA H 73 4.849 5.010 -0.161 1
1 775 . 3 1 1 A 73 73 HIS CB C 73 31.465 30.738 0.727 1
1 781 . 3 1 1 A 73 73 HIS C C 73 173.491 173.703 -0.212 1
1 783 . 3 1 1 A 74 74 ASP N N 74 127.118 124.940 2.178 1
1 784 . 3 1 1 A 74 74 ASP H H 74 8.541 9.209 -0.668 1
1 785 . 3 1 1 A 74 74 ASP CA C 74 53.048 53.882 -0.834 1
1 786 . 3 1 1 A 74 74 ASP HA H 74 4.476 4.868 -0.392 1
1 787 . 3 1 1 A 74 74 ASP CB C 74 41.554 42.404 -0.850 1
1 789 . 3 1 1 A 74 74 ASP C C 74 175.936 175.782 0.154 1
1 791 . 3 1 1 A 75 75 ASN N N 75 124.002 122.175 1.827 1
1 792 . 3 1 1 A 75 75 ASN H H 75 7.827 8.750 -0.923 1
1 793 . 3 1 1 A 75 75 ASN CA C 75 54.517 53.219 1.298 1
1 794 . 3 1 1 A 75 75 ASN HA H 75 4.572 4.876 -0.304 1
1 795 . 3 1 1 A 75 75 ASN CB C 75 38.091 39.854 -1.763 1
1 800 . 3 1 1 A 75 75 ASN C C 75 175.352 174.767 0.585 1
1 802 . 3 1 1 A 76 76 LYS N N 76 114.689 115.548 -0.859 1
1 803 . 3 1 1 A 76 76 LYS H H 76 9.246 7.639 1.607 1
1 804 . 3 1 1 A 76 76 LYS CA C 76 57.428 57.112 0.316 1
1 805 . 3 1 1 A 76 76 LYS HA H 76 3.882 3.887 -0.005 1
1 806 . 3 1 1 A 76 76 LYS CB C 76 28.223 29.101 -0.878 1
1 814 . 3 1 1 A 76 76 LYS C C 76 174.975 175.215 -0.240 1
1 819 . 3 1 1 A 77 77 ASP N N 77 117.462 118.142 -0.680 1
1 820 . 3 1 1 A 77 77 ASP H H 77 7.831 7.879 -0.048 1
1 821 . 3 1 1 A 77 77 ASP CA C 77 52.168 53.833 -1.665 1
1 822 . 3 1 1 A 77 77 ASP HA H 77 4.706 4.834 -0.128 1
1 823 . 3 1 1 A 77 77 ASP CB C 77 41.224 42.339 -1.115 1
1 825 . 3 1 1 A 77 77 ASP C C 77 176.739 176.306 0.433 1
1 827 . 3 1 1 A 78 78 GLY N N 78 109.485 107.136 2.349 1
1 828 . 3 1 1 A 78 78 GLY H H 78 8.658 7.816 0.842 1
1 829 . 3 1 1 A 78 78 GLY CA C 78 45.568 45.088 0.480 1
1 830 . 3 1 1 A 78 78 GLY HA3 H 78 3.698 4.023 -0.325 1
1 831 . 3 1 1 A 78 78 GLY C C 78 172.263 173.508 -1.245 1
1 832 . 3 1 1 A 78 78 GLY HA2 H 78 4.323 4.018 0.305 1
1 833 . 3 1 1 A 79 79 THR N N 79 109.462 110.020 -0.558 1
1 834 . 3 1 1 A 79 79 THR H H 79 8.057 7.361 0.696 1
1 835 . 3 1 1 A 79 79 THR CA C 79 59.989 59.725 0.264 1
1 836 . 3 1 1 A 79 79 THR HA H 79 5.566 5.152 0.414 1
1 837 . 3 1 1 A 79 79 THR CB C 79 72.712 73.100 -0.388 1
1 843 . 3 1 1 A 79 79 THR C C 79 173.868 172.087 1.781 1
1 844 . 3 1 1 A 80 80 TYR N N 80 116.428 119.136 -2.708 1
1 845 . 3 1 1 A 80 80 TYR H H 80 9.085 8.935 0.150 1
1 846 . 3 1 1 A 80 80 TYR CA C 80 56.533 56.516 0.017 1
1 847 . 3 1 1 A 80 80 TYR HA H 80 5.372 5.143 0.229 1
1 848 . 3 1 1 A 80 80 TYR CB C 80 42.831 42.876 -0.045 1
1 858 . 3 1 1 A 80 80 TYR C C 80 175.327 174.501 0.826 1
1 860 . 3 1 1 A 81 81 ALA N N 81 126.743 123.679 3.064 1
1 861 . 3 1 1 A 81 81 ALA H H 81 9.302 8.694 0.608 1
1 862 . 3 1 1 A 81 81 ALA CA C 81 51.121 49.907 1.214 1
1 863 . 3 1 1 A 81 81 ALA HA H 81 5.149 5.830 -0.681 1
1 864 . 3 1 1 A 81 81 ALA CB C 81 22.111 23.023 -0.912 1
1 868 . 3 1 1 A 81 81 ALA C C 81 175.505 175.537 -0.032 1
1 869 . 3 1 1 A 82 82 VAL N N 82 124.472 119.686 4.786 1
1 870 . 3 1 1 A 82 82 VAL H H 82 8.940 7.841 1.099 1
1 871 . 3 1 1 A 82 82 VAL CA C 82 60.264 61.022 -0.758 1
1 872 . 3 1 1 A 82 82 VAL HA H 82 5.039 4.618 0.421 1
1 873 . 3 1 1 A 82 82 VAL CB C 82 33.236 34.626 -1.390 1
1 883 . 3 1 1 A 82 82 VAL C C 82 174.517 174.553 -0.036 1
1 884 . 3 1 1 A 83 83 THR N N 83 121.500 122.466 -0.966 1
1 885 . 3 1 1 A 83 83 THR H H 83 8.717 8.300 0.417 1
1 886 . 3 1 1 A 83 83 THR CA C 83 61.075 62.317 -1.242 1
1 887 . 3 1 1 A 83 83 THR HA H 83 5.497 4.975 0.522 1
1 888 . 3 1 1 A 83 83 THR CB C 83 72.153 70.950 1.203 1
1 894 . 3 1 1 A 83 83 THR C C 83 173.515 173.697 -0.182 1
1 895 . 3 1 1 A 84 84 TYR N N 84 122.841 121.012 1.829 1
1 896 . 3 1 1 A 84 84 TYR H H 84 9.014 8.647 0.367 1
1 897 . 3 1 1 A 84 84 TYR CA C 84 55.985 55.920 0.065 1
1 898 . 3 1 1 A 84 84 TYR HA H 84 4.979 5.237 -0.258 1
1 899 . 3 1 1 A 84 84 TYR CB C 84 41.967 41.269 0.698 1
1 909 . 3 1 1 A 84 84 TYR C C 84 171.873 172.597 -0.724 1
1 911 . 3 1 1 A 85 85 ILE N N 85 118.254 123.980 -5.726 1
1 912 . 3 1 1 A 85 85 ILE H H 85 8.805 8.906 -0.101 1
1 913 . 3 1 1 A 85 85 ILE CA C 85 57.883 58.131 -0.248 1
1 914 . 3 1 1 A 85 85 ILE HA H 85 4.550 4.570 -0.020 1
1 915 . 3 1 1 A 85 85 ILE CB C 85 40.179 38.573 1.606 1
1 927 . 3 1 1 A 85 85 ILE C C 85 174.339 174.878 -0.539 1
1 929 . 3 1 1 A 86 86 PRO CA C 86 61.414 62.511 -1.097 1
1 930 . 3 1 1 A 86 86 PRO HA H 86 4.436 4.640 -0.204 1
1 931 . 3 1 1 A 86 86 PRO CB C 86 30.107 31.034 -0.927 1
1 937 . 3 1 1 A 86 86 PRO C C 86 175.126 176.898 -1.772 1
1 941 . 3 1 1 A 87 87 ASP N N 87 123.447 124.307 -0.860 1
1 942 . 3 1 1 A 87 87 ASP H H 87 8.501 9.001 -0.500 1
1 943 . 3 1 1 A 87 87 ASP CA C 87 55.668 53.481 2.187 1
1 944 . 3 1 1 A 87 87 ASP HA H 87 4.263 4.947 -0.684 1
1 945 . 3 1 1 A 87 87 ASP CB C 87 40.930 41.410 -0.480 1
1 947 . 3 1 1 A 87 87 ASP C C 87 175.182 175.513 -0.331 1
1 949 . 3 1 1 A 88 88 LYS N N 88 116.947 119.406 -2.459 1
1 950 . 3 1 1 A 88 88 LYS H H 88 7.683 7.579 0.104 1
1 951 . 3 1 1 A 88 88 LYS CA C 88 54.995 55.101 -0.106 1
1 952 . 3 1 1 A 88 88 LYS HA H 88 4.588 4.895 -0.307 1
1 953 . 3 1 1 A 88 88 LYS CB C 88 34.821 37.721 -2.900 1
1 961 . 3 1 1 A 88 88 LYS C C 88 177.529 175.134 2.395 1
1 966 . 3 1 1 A 89 89 THR N N 89 114.134 112.737 1.397 1
1 967 . 3 1 1 A 89 89 THR H H 89 8.588 8.539 0.049 1
1 968 . 3 1 1 A 89 89 THR CA C 89 62.828 59.824 3.004 1
1 969 . 3 1 1 A 89 89 THR HA H 89 4.083 5.262 -1.179 1
1 970 . 3 1 1 A 89 89 THR CB C 89 69.590 71.257 -1.667 1
1 976 . 3 1 1 A 89 89 THR C C 89 174.269 173.375 0.894 1
1 977 . 3 1 1 A 90 90 GLY N N 90 109.440 108.444 0.996 1
1 978 . 3 1 1 A 90 90 GLY H H 90 8.444 8.295 0.149 1
1 979 . 3 1 1 A 90 90 GLY CA C 90 44.648 45.534 -0.886 1
1 980 . 3 1 1 A 90 90 GLY HA3 H 90 4.467 4.170 0.297 1
1 981 . 3 1 1 A 90 90 GLY C C 90 172.469 172.139 0.330 1
1 982 . 3 1 1 A 90 90 GLY HA2 H 90 3.908 4.115 -0.207 1
1 983 . 3 1 1 A 91 91 ARG N N 91 120.781 123.306 -2.525 1
1 984 . 3 1 1 A 91 91 ARG H H 91 8.271 8.148 0.123 1
1 985 . 3 1 1 A 91 91 ARG CA C 91 56.178 54.544 1.634 1
1 986 . 3 1 1 A 91 91 ARG HA H 91 4.951 5.065 -0.114 1
1 987 . 3 1 1 A 91 91 ARG CB C 91 31.986 32.622 -0.636 1
1 993 . 3 1 1 A 91 91 ARG C C 91 175.711 174.810 0.901 1
1 997 . 3 1 1 A 92 92 TYR N N 92 122.381 122.633 -0.252 1
1 998 . 3 1 1 A 92 92 TYR H H 92 9.312 9.502 -0.190 1
1 999 . 3 1 1 A 92 92 TYR CA C 92 56.886 56.763 0.123 1
1 1000 . 3 1 1 A 92 92 TYR HA H 92 4.960 5.225 -0.265 1
1 1001 . 3 1 1 A 92 92 TYR CB C 92 41.223 40.254 0.969 1
1 1011 . 3 1 1 A 92 92 TYR C C 92 174.902 174.483 0.419 1
1 1013 . 3 1 1 A 93 93 MET N N 93 121.210 124.552 -3.342 1
1 1014 . 3 1 1 A 93 93 MET H H 93 8.819 8.913 -0.094 1
1 1015 . 3 1 1 A 93 93 MET CA C 93 53.745 54.044 -0.299 1
1 1016 . 3 1 1 A 93 93 MET HA H 93 5.346 5.237 0.109 1
1 1017 . 3 1 1 A 93 93 MET CB C 93 34.220 35.172 -0.952 1
1 1025 . 3 1 1 A 93 93 MET C C 93 175.365 175.123 0.242 1
1 1028 . 3 1 1 A 94 94 ILE N N 94 125.747 126.908 -1.161 1
1 1029 . 3 1 1 A 94 94 ILE H H 94 9.372 8.732 0.640 1
1 1030 . 3 1 1 A 94 94 ILE CA C 94 60.685 59.792 0.893 1
1 1031 . 3 1 1 A 94 94 ILE HA H 94 4.606 5.164 -0.558 1
1 1032 . 3 1 1 A 94 94 ILE CB C 94 39.188 40.879 -1.691 1
1 1044 . 3 1 1 A 94 94 ILE C C 94 174.987 174.931 0.056 1
1 1046 . 3 1 1 A 95 95 GLY N N 95 116.553 115.047 1.506 1
1 1047 . 3 1 1 A 95 95 GLY H H 95 9.509 9.009 0.500 1
1 1048 . 3 1 1 A 95 95 GLY CA C 95 44.507 45.313 -0.806 1
1 1049 . 3 1 1 A 95 95 GLY HA3 H 95 3.605 4.179 -0.574 1
1 1050 . 3 1 1 A 95 95 GLY C C 95 173.175 172.111 1.064 1
1 1051 . 3 1 1 A 95 95 GLY HA2 H 95 4.606 4.154 0.452 1
1 1052 . 3 1 1 A 96 96 VAL N N 96 127.036 127.838 -0.802 1
1 1053 . 3 1 1 A 96 96 VAL H H 96 9.299 8.713 0.586 1
1 1054 . 3 1 1 A 96 96 VAL CA C 96 61.308 62.732 -1.424 1
1 1055 . 3 1 1 A 96 96 VAL HA H 96 4.889 4.454 0.435 1
1 1056 . 3 1 1 A 96 96 VAL CB C 96 34.145 31.991 2.154 1
1 1066 . 3 1 1 A 96 96 VAL C C 96 174.354 175.548 -1.194 1
1 1067 . 3 1 1 A 97 97 THR N N 97 115.219 118.398 -3.179 1
1 1068 . 3 1 1 A 97 97 THR H H 97 9.018 8.972 0.046 1
1 1069 . 3 1 1 A 97 97 THR CA C 97 57.826 59.501 -1.675 1
1 1070 . 3 1 1 A 97 97 THR HA H 97 5.265 5.414 -0.149 1
1 1071 . 3 1 1 A 97 97 THR CB C 97 72.753 71.997 0.756 1
1 1077 . 3 1 1 A 97 97 THR C C 97 173.175 172.865 0.310 1
1 1078 . 3 1 1 A 98 98 TYR N N 98 122.768 123.871 -1.103 1
1 1079 . 3 1 1 A 98 98 TYR H H 98 9.149 9.492 -0.343 1
1 1080 . 3 1 1 A 98 98 TYR CA C 98 57.488 57.252 0.236 1
1 1081 . 3 1 1 A 98 98 TYR HA H 98 5.077 4.921 0.156 1
1 1082 . 3 1 1 A 98 98 TYR CB C 98 43.122 41.465 1.657 1
1 1092 . 3 1 1 A 98 98 TYR C C 98 175.949 175.431 0.518 1
1 1094 . 3 1 1 A 99 99 GLY N N 99 113.994 115.285 -1.291 1
1 1095 . 3 1 1 A 99 99 GLY H H 99 8.402 8.851 -0.449 1
1 1096 . 3 1 1 A 99 99 GLY CA C 99 45.010 46.581 -1.571 1
1 1097 . 3 1 1 A 99 99 GLY HA3 H 99 2.623 3.395 -0.772 1
1 1098 . 3 1 1 A 99 99 GLY C C 99 174.197 175.142 -0.945 1
1 1099 . 3 1 1 A 99 99 GLY HA2 H 99 3.220 3.126 0.094 1
1 1100 . 3 1 1 A 100 100 GLY N N 100 103.115 105.900 -2.785 1
1 1101 . 3 1 1 A 100 100 GLY H H 100 8.288 8.610 -0.322 1
1 1102 . 3 1 1 A 100 100 GLY CA C 100 44.170 46.687 -2.517 1
1 1103 . 3 1 1 A 100 100 GLY HA3 H 100 4.265 3.894 0.371 1
1 1104 . 3 1 1 A 100 100 GLY C C 100 173.054 173.408 -0.354 1
1 1105 . 3 1 1 A 100 100 GLY HA2 H 100 3.284 3.884 -0.600 1
1 1106 . 3 1 1 A 101 101 ASP N N 101 120.566 119.352 1.214 1
1 1107 . 3 1 1 A 101 101 ASP H H 101 7.245 7.916 -0.671 1
1 1108 . 3 1 1 A 101 101 ASP CA C 101 52.908 53.183 -0.275 1
1 1109 . 3 1 1 A 101 101 ASP HA H 101 5.012 5.098 -0.086 1
1 1110 . 3 1 1 A 101 101 ASP CB C 101 42.831 44.354 -1.523 1
1 1112 . 3 1 1 A 101 101 ASP C C 101 175.182 175.297 -0.115 1
1 1114 . 3 1 1 A 102 102 ASP N N 102 122.668 125.231 -2.563 1
1 1115 . 3 1 1 A 102 102 ASP H H 102 8.597 8.902 -0.305 1
1 1116 . 3 1 1 A 102 102 ASP CA C 102 56.233 54.474 1.759 1
1 1117 . 3 1 1 A 102 102 ASP HA H 102 4.667 4.617 0.050 1
1 1118 . 3 1 1 A 102 102 ASP CB C 102 42.373 41.197 1.176 1
1 1120 . 3 1 1 A 102 102 ASP C C 102 176.970 176.077 0.893 1
1 1122 . 3 1 1 A 103 103 ILE N N 103 117.672 118.650 -0.978 1
1 1123 . 3 1 1 A 103 103 ILE H H 103 7.887 8.360 -0.473 1
1 1124 . 3 1 1 A 103 103 ILE CA C 103 61.025 59.797 1.228 1
1 1125 . 3 1 1 A 103 103 ILE HA H 103 4.526 4.570 -0.044 1
1 1126 . 3 1 1 A 103 103 ILE CB C 103 35.534 37.678 -2.144 1
1 1138 . 3 1 1 A 103 103 ILE C C 103 173.902 176.469 -2.567 1
1 1140 . 3 1 1 A 104 104 PRO CA C 104 66.456 64.205 2.251 1
1 1141 . 3 1 1 A 104 104 PRO HA H 104 4.177 4.539 -0.362 1
1 1142 . 3 1 1 A 104 104 PRO CB C 104 31.709 31.606 0.103 1
1 1151 . 3 1 1 A 105 105 LEU N N 105 115.386 117.766 -2.380 1
1 1152 . 3 1 1 A 105 105 LEU H H 105 8.464 7.972 0.492 1
1 1153 . 3 1 1 A 105 105 LEU CA C 105 55.294 55.847 -0.553 1
1 1154 . 3 1 1 A 105 105 LEU HA H 105 3.845 4.306 -0.461 1
1 1155 . 3 1 1 A 105 105 LEU CB C 105 39.148 42.906 -3.758 1
1 1168 . 3 1 1 A 106 106 SER N N 106 111.669 115.218 -3.549 1
1 1169 . 3 1 1 A 106 106 SER H H 106 7.338 7.705 -0.367 1
1 1170 . 3 1 1 A 106 106 SER CA C 106 54.750 57.277 -2.527 1
1 1171 . 3 1 1 A 106 106 SER HA H 106 4.347 4.681 -0.334 1
1 1172 . 3 1 1 A 106 106 SER CB C 106 64.133 62.976 1.157 1
1 1175 . 3 1 1 A 107 107 PRO CA C 107 62.344 62.458 -0.114 1
1 1176 . 3 1 1 A 107 107 PRO HA H 107 5.323 4.769 0.554 1
1 1177 . 3 1 1 A 107 107 PRO CB C 107 33.977 32.942 1.035 1
1 1183 . 3 1 1 A 107 107 PRO C C 107 176.003 174.789 1.214 1
1 1187 . 3 1 1 A 108 108 TYR N N 108 122.832 119.312 3.520 1
1 1188 . 3 1 1 A 108 108 TYR H H 108 9.294 8.315 0.979 1
1 1189 . 3 1 1 A 108 108 TYR CA C 108 57.629 56.677 0.952 1
1 1190 . 3 1 1 A 108 108 TYR HA H 108 4.428 5.027 -0.599 1
1 1191 . 3 1 1 A 108 108 TYR CB C 108 40.091 41.599 -1.508 1
1 1201 . 3 1 1 A 108 108 TYR C C 108 175.851 175.064 0.787 1
1 1203 . 3 1 1 A 109 109 ARG N N 109 122.941 122.920 0.021 1
1 1204 . 3 1 1 A 109 109 ARG H H 109 8.746 8.753 -0.007 1
1 1205 . 3 1 1 A 109 109 ARG CA C 109 55.259 55.974 -0.715 1
1 1206 . 3 1 1 A 109 109 ARG HA H 109 5.189 4.816 0.373 1
1 1207 . 3 1 1 A 109 109 ARG CB C 109 30.879 31.231 -0.352 1
1 1213 . 3 1 1 A 109 109 ARG C C 109 175.522 175.511 0.011 1
1 1217 . 3 1 1 A 110 110 ILE N N 110 125.109 124.506 0.603 1
1 1218 . 3 1 1 A 110 110 ILE H H 110 8.742 8.428 0.314 1
1 1219 . 3 1 1 A 110 110 ILE CA C 110 57.577 59.579 -2.002 1
1 1220 . 3 1 1 A 110 110 ILE HA H 110 4.758 4.845 -0.087 1
1 1221 . 3 1 1 A 110 110 ILE CB C 110 41.138 42.700 -1.562 1
1 1233 . 3 1 1 A 110 110 ILE C C 110 175.121 174.326 0.795 1
1 1235 . 3 1 1 A 111 111 ARG N N 111 125.357 122.202 3.155 1
1 1236 . 3 1 1 A 111 111 ARG H H 111 8.776 8.963 -0.187 1
1 1237 . 3 1 1 A 111 111 ARG CA C 111 54.730 54.470 0.260 1
1 1238 . 3 1 1 A 111 111 ARG HA H 111 5.053 5.151 -0.098 1
1 1239 . 3 1 1 A 111 111 ARG CB C 111 32.685 33.898 -1.213 1
1 1245 . 3 1 1 A 111 111 ARG C C 111 174.163 174.182 -0.019 1
1 1249 . 3 1 1 A 112 112 ALA N N 112 127.119 124.202 2.917 1
1 1250 . 3 1 1 A 112 112 ALA H H 112 9.208 8.753 0.455 1
1 1251 . 3 1 1 A 112 112 ALA CA C 112 49.945 50.963 -1.018 1
1 1252 . 3 1 1 A 112 112 ALA HA H 112 5.851 5.528 0.323 1
1 1253 . 3 1 1 A 112 112 ALA CB C 112 21.329 20.849 0.480 1
1 1257 . 3 1 1 A 112 112 ALA C C 112 178.853 176.841 2.012 1
1 1258 . 3 1 1 A 113 113 THR N N 113 116.033 113.024 3.009 1
1 1259 . 3 1 1 A 113 113 THR H H 113 8.995 9.087 -0.092 1
1 1260 . 3 1 1 A 113 113 THR CA C 113 60.312 60.688 -0.376 1
1 1261 . 3 1 1 A 113 113 THR HA H 113 4.695 5.064 -0.369 1
1 1262 . 3 1 1 A 113 113 THR CB C 113 71.251 70.195 1.056 1
1 1268 . 3 1 1 A 113 113 THR C C 113 173.710 174.491 -0.781 1
1 1269 . 3 1 1 A 114 114 GLN N N 114 122.122 123.579 -1.457 1
1 1270 . 3 1 1 A 114 114 GLN H H 114 8.753 8.406 0.347 1
1 1271 . 3 1 1 A 114 114 GLN CA C 114 55.817 55.976 -0.159 1
1 1272 . 3 1 1 A 114 114 GLN HA H 114 4.570 4.266 0.304 1
1 1273 . 3 1 1 A 114 114 GLN CB C 114 30.106 28.127 1.979 1
1 1280 . 3 1 1 A 114 114 GLN C C 114 176.106 175.183 0.923 1
1 1283 . 3 1 1 A 115 115 THR N N 115 117.345 115.225 2.120 1
1 1284 . 3 1 1 A 115 115 THR H H 115 8.493 8.316 0.177 1
1 1285 . 3 1 1 A 115 115 THR CA C 115 62.328 61.806 0.522 1
1 1286 . 3 1 1 A 115 115 THR HA H 115 4.351 4.581 -0.230 1
1 1287 . 3 1 1 A 115 115 THR CB C 115 69.874 70.565 -0.691 1
1 1293 . 3 1 1 A 115 115 THR C C 115 175.158 175.184 -0.026 1
1 1294 . 3 1 1 A 116 116 GLY N N 116 111.927 115.460 -3.533 1
1 1295 . 3 1 1 A 116 116 GLY H H 116 8.559 8.884 -0.325 1
1 1296 . 3 1 1 A 116 116 GLY CA C 116 45.315 46.883 -1.568 1
1 1297 . 3 1 1 A 116 116 GLY HA3 H 116 3.934 3.879 0.055 1
1 1298 . 3 1 1 A 116 116 GLY C C 116 173.820 174.156 -0.336 1
1 1299 . 3 1 1 A 116 116 GLY HA2 H 116 4.030 3.878 0.152 1
1 1300 . 3 1 1 A 117 117 ASP N N 117 120.643 119.984 0.659 1
1 1301 . 3 1 1 A 117 117 ASP H H 117 8.208 8.191 0.017 1
1 1302 . 3 1 1 A 117 117 ASP CA C 117 54.393 53.405 0.988 1
1 1303 . 3 1 1 A 117 117 ASP HA H 117 4.615 4.791 -0.176 1
1 1304 . 3 1 1 A 117 117 ASP CB C 117 41.388 42.063 -0.675 1
1 1306 . 3 1 1 A 117 117 ASP C C 117 175.973 175.680 0.293 1
1 1308 . 3 1 1 A 118 118 ALA N N 118 124.934 124.075 0.859 1
1 1309 . 3 1 1 A 118 118 ALA H H 118 8.312 8.575 -0.263 1
1 1310 . 3 1 1 A 118 118 ALA CA C 118 52.447 52.750 -0.303 1
1 1311 . 3 1 1 A 118 118 ALA HA H 118 4.415 4.297 0.118 1
1 1312 . 3 1 1 A 118 118 ALA CB C 118 19.339 19.352 -0.013 1
1 1316 . 3 1 1 A 118 118 ALA C C 118 176.848 178.273 -1.425 1
1 1 . 4 1 1 A 9 9 SER HA H 9 4.733 4.232 0.501 1
1 2 . 4 1 1 A 10 10 PRO CA C 10 63.335 62.974 0.361 1
1 3 . 4 1 1 A 10 10 PRO HA H 10 4.399 4.474 -0.075 1
1 4 . 4 1 1 A 10 10 PRO CB C 10 31.938 31.757 0.181 1
1 10 . 4 1 1 A 10 10 PRO C C 10 176.442 176.036 0.406 1
1 14 . 4 1 1 A 11 11 PHE N N 11 119.801 117.732 2.069 1
1 15 . 4 1 1 A 11 11 PHE H H 11 8.036 8.373 -0.337 1
1 16 . 4 1 1 A 11 11 PHE CA C 11 57.505 55.414 2.091 1
1 17 . 4 1 1 A 11 11 PHE HA H 11 4.606 5.309 -0.703 1
1 18 . 4 1 1 A 11 11 PHE CB C 11 39.592 39.829 -0.237 1
1 30 . 4 1 1 A 11 11 PHE C C 11 175.401 174.553 0.848 1
1 32 . 4 1 1 A 12 12 LYS N N 12 123.563 124.393 -0.830 1
1 33 . 4 1 1 A 12 12 LYS H H 12 8.112 8.214 -0.102 1
1 34 . 4 1 1 A 12 12 LYS CA C 12 56.175 54.105 2.070 1
1 35 . 4 1 1 A 12 12 LYS HA H 12 4.322 4.856 -0.534 1
1 36 . 4 1 1 A 12 12 LYS CB C 12 33.352 36.931 -3.579 1
1 44 . 4 1 1 A 12 12 LYS C C 12 175.802 175.676 0.126 1
1 49 . 4 1 1 A 13 13 VAL N N 13 122.071 120.292 1.779 1
1 50 . 4 1 1 A 13 13 VAL H H 13 8.080 8.464 -0.384 1
1 51 . 4 1 1 A 13 13 VAL CA C 13 62.280 61.168 1.112 1
1 52 . 4 1 1 A 13 13 VAL HA H 13 4.036 4.498 -0.462 1
1 53 . 4 1 1 A 13 13 VAL CB C 13 32.895 32.920 -0.025 1
1 63 . 4 1 1 A 13 13 VAL C C 13 175.814 174.844 0.970 1
1 64 . 4 1 1 A 14 14 LYS N N 14 125.874 122.010 3.864 1
1 65 . 4 1 1 A 14 14 LYS H H 14 8.392 8.574 -0.182 1
1 66 . 4 1 1 A 14 14 LYS CA C 14 56.250 55.531 0.719 1
1 67 . 4 1 1 A 14 14 LYS HA H 14 4.322 4.858 -0.536 1
1 68 . 4 1 1 A 14 14 LYS CB C 14 33.193 36.407 -3.214 1
1 73 . 4 1 1 A 14 14 LYS C C 14 175.973 174.614 1.359 1
1 75 . 4 1 1 A 15 15 VAL N N 15 123.129 119.278 3.851 1
1 76 . 4 1 1 A 15 15 VAL H H 15 8.204 8.768 -0.564 1
1 77 . 4 1 1 A 15 15 VAL CA C 15 62.033 58.934 3.099 1
1 78 . 4 1 1 A 15 15 VAL HA H 15 4.100 4.914 -0.814 1
1 79 . 4 1 1 A 15 15 VAL CB C 15 32.858 35.604 -2.746 1
1 89 . 4 1 1 A 15 15 VAL C C 15 175.717 174.862 0.855 1
1 90 . 4 1 1 A 16 16 LEU N N 16 127.971 118.975 8.996 1
1 91 . 4 1 1 A 16 16 LEU H H 16 8.378 8.180 0.198 1
1 92 . 4 1 1 A 16 16 LEU CA C 16 52.885 53.131 -0.246 1
1 93 . 4 1 1 A 16 16 LEU HA H 16 4.624 4.465 0.159 1
1 94 . 4 1 1 A 16 16 LEU CB C 16 41.706 41.712 -0.006 1
1 106 . 4 1 1 A 16 16 LEU C C 16 175.092 176.064 -0.972 1
1 108 . 4 1 1 A 17 17 PRO CA C 17 62.704 62.212 0.492 1
1 109 . 4 1 1 A 17 17 PRO HA H 17 4.556 4.597 -0.041 1
1 110 . 4 1 1 A 17 17 PRO CB C 17 32.293 32.633 -0.340 1
1 116 . 4 1 1 A 17 17 PRO C C 17 177.319 177.292 0.027 1
1 120 . 4 1 1 A 18 18 THR N N 18 112.726 114.619 -1.893 1
1 121 . 4 1 1 A 18 18 THR H H 18 8.497 8.637 -0.140 1
1 122 . 4 1 1 A 18 18 THR CA C 18 62.335 64.879 -2.544 1
1 123 . 4 1 1 A 18 18 THR HA H 18 4.352 4.170 0.182 1
1 124 . 4 1 1 A 18 18 THR CB C 18 69.700 68.990 0.710 1
1 130 . 4 1 1 A 18 18 THR C C 18 173.418 174.911 -1.493 1
1 131 . 4 1 1 A 19 19 TYR N N 19 118.883 119.991 -1.108 1
1 132 . 4 1 1 A 19 19 TYR H H 19 7.244 7.772 -0.528 1
1 133 . 4 1 1 A 19 19 TYR CA C 19 55.270 57.789 -2.519 1
1 134 . 4 1 1 A 19 19 TYR HA H 19 5.404 4.935 0.469 1
1 135 . 4 1 1 A 19 19 TYR CB C 19 40.974 39.905 1.069 1
1 145 . 4 1 1 A 19 19 TYR C C 19 174.318 174.689 -0.371 1
1 147 . 4 1 1 A 20 20 ASP N N 20 118.193 119.482 -1.289 1
1 148 . 4 1 1 A 20 20 ASP H H 20 8.686 9.114 -0.428 1
1 149 . 4 1 1 A 20 20 ASP CA C 20 53.226 53.096 0.130 1
1 150 . 4 1 1 A 20 20 ASP HA H 20 4.539 5.001 -0.462 1
1 151 . 4 1 1 A 20 20 ASP CB C 20 41.490 44.128 -2.638 1
1 153 . 4 1 1 A 20 20 ASP C C 20 176.349 176.044 0.305 1
1 155 . 4 1 1 A 21 21 ALA N N 21 127.255 127.372 -0.117 1
1 156 . 4 1 1 A 21 21 ALA H H 21 9.404 9.072 0.332 1
1 157 . 4 1 1 A 21 21 ALA CA C 21 55.157 55.471 -0.314 1
1 158 . 4 1 1 A 21 21 ALA HA H 21 4.204 4.145 0.059 1
1 159 . 4 1 1 A 21 21 ALA CB C 21 19.890 18.322 1.568 1
1 163 . 4 1 1 A 21 21 ALA C C 21 178.113 179.604 -1.491 1
1 164 . 4 1 1 A 22 22 SER N N 22 110.959 112.681 -1.722 1
1 165 . 4 1 1 A 22 22 SER H H 22 8.397 8.226 0.171 1
1 166 . 4 1 1 A 22 22 SER CA C 22 60.794 61.013 -0.219 1
1 167 . 4 1 1 A 22 22 SER HA H 22 4.363 4.206 0.157 1
1 168 . 4 1 1 A 22 22 SER CB C 22 62.850 63.071 -0.221 1
1 170 . 4 1 1 A 22 22 SER C C 22 175.425 175.747 -0.322 1
1 172 . 4 1 1 A 23 23 LYS N N 23 119.671 117.052 2.619 1
1 173 . 4 1 1 A 23 23 LYS H H 23 7.366 7.538 -0.172 1
1 174 . 4 1 1 A 23 23 LYS CA C 23 54.818 55.966 -1.148 1
1 175 . 4 1 1 A 23 23 LYS HA H 23 4.368 4.364 0.004 1
1 176 . 4 1 1 A 23 23 LYS CB C 23 33.063 32.471 0.592 1
1 184 . 4 1 1 A 23 23 LYS C C 23 176.544 174.861 1.683 1
1 189 . 4 1 1 A 24 24 VAL N N 24 123.377 119.613 3.764 1
1 190 . 4 1 1 A 24 24 VAL H H 24 7.392 7.435 -0.043 1
1 191 . 4 1 1 A 24 24 VAL CA C 24 62.722 61.306 1.416 1
1 192 . 4 1 1 A 24 24 VAL HA H 24 4.184 4.621 -0.437 1
1 193 . 4 1 1 A 24 24 VAL CB C 24 31.780 33.901 -2.121 1
1 203 . 4 1 1 A 24 24 VAL C C 24 175.644 175.075 0.569 1
1 204 . 4 1 1 A 25 25 THR N N 25 117.441 117.350 0.091 1
1 205 . 4 1 1 A 25 25 THR H H 25 8.384 8.903 -0.519 1
1 206 . 4 1 1 A 25 25 THR CA C 25 59.858 59.726 0.132 1
1 207 . 4 1 1 A 25 25 THR HA H 25 4.784 5.397 -0.613 1
1 208 . 4 1 1 A 25 25 THR CB C 25 71.687 73.006 -1.319 1
1 214 . 4 1 1 A 25 25 THR C C 25 172.360 172.409 -0.049 1
1 215 . 4 1 1 A 26 26 ALA N N 26 123.956 122.939 1.017 1
1 216 . 4 1 1 A 26 26 ALA H H 26 8.440 8.721 -0.281 1
1 217 . 4 1 1 A 26 26 ALA CA C 26 51.022 51.121 -0.099 1
1 218 . 4 1 1 A 26 26 ALA HA H 26 5.575 5.373 0.202 1
1 219 . 4 1 1 A 26 26 ALA CB C 26 22.576 23.884 -1.308 1
1 223 . 4 1 1 A 26 26 ALA C C 26 176.301 175.292 1.009 1
1 224 . 4 1 1 A 27 27 SER N N 27 114.430 114.040 0.390 1
1 225 . 4 1 1 A 27 27 SER H H 27 9.021 8.462 0.559 1
1 226 . 4 1 1 A 27 27 SER CA C 27 57.771 57.459 0.312 1
1 227 . 4 1 1 A 27 27 SER HA H 27 4.745 5.262 -0.517 1
1 228 . 4 1 1 A 27 27 SER CB C 27 65.911 67.446 -1.535 1
1 230 . 4 1 1 A 27 27 SER C C 27 172.798 173.061 -0.263 1
1 232 . 4 1 1 A 28 28 GLY N N 28 108.618 110.051 -1.433 1
1 233 . 4 1 1 A 28 28 GLY H H 28 8.516 8.446 0.070 1
1 234 . 4 1 1 A 28 28 GLY CA C 28 44.966 44.536 0.430 1
1 235 . 4 1 1 A 28 28 GLY HA3 H 28 4.102 4.289 -0.187 1
1 236 . 4 1 1 A 28 28 GLY C C 28 173.392 174.170 -0.778 1
1 237 . 4 1 1 A 28 28 GLY HA2 H 28 5.026 4.246 0.780 1
1 238 . 4 1 1 A 29 29 PRO CA C 29 65.446 65.050 0.396 1
1 239 . 4 1 1 A 29 29 PRO HA H 29 4.399 4.449 -0.050 1
1 240 . 4 1 1 A 29 29 PRO CB C 29 31.739 32.088 -0.349 1
1 246 . 4 1 1 A 29 29 PRO C C 29 179.804 178.701 1.103 1
1 250 . 4 1 1 A 30 30 GLY N N 30 103.199 106.009 -2.810 1
1 251 . 4 1 1 A 30 30 GLY H H 30 9.156 8.550 0.606 1
1 252 . 4 1 1 A 30 30 GLY CA C 30 46.458 47.043 -0.585 1
1 253 . 4 1 1 A 30 30 GLY HA3 H 30 3.331 4.392 -1.061 1
1 254 . 4 1 1 A 30 30 GLY C C 30 171.694 174.713 -3.019 1
1 255 . 4 1 1 A 30 30 GLY HA2 H 30 4.062 4.279 -0.217 1
1 256 . 4 1 1 A 31 31 LEU N N 31 116.112 119.643 -3.531 1
1 257 . 4 1 1 A 31 31 LEU H H 31 7.351 7.839 -0.488 1
1 258 . 4 1 1 A 31 31 LEU CA C 31 52.607 54.254 -1.647 1
1 259 . 4 1 1 A 31 31 LEU HA H 31 4.269 4.593 -0.324 1
1 260 . 4 1 1 A 31 31 LEU CB C 31 41.265 42.229 -0.964 1
1 272 . 4 1 1 A 31 31 LEU C C 31 176.751 176.298 0.453 1
1 274 . 4 1 1 A 32 32 SER N N 32 114.056 117.964 -3.908 1
1 275 . 4 1 1 A 32 32 SER H H 32 6.986 7.841 -0.855 1
1 276 . 4 1 1 A 32 32 SER CA C 32 58.750 57.834 0.916 1
1 277 . 4 1 1 A 32 32 SER HA H 32 4.268 4.529 -0.261 1
1 278 . 4 1 1 A 32 32 SER CB C 32 64.571 63.958 0.613 1
1 280 . 4 1 1 A 32 32 SER C C 32 176.483 174.910 1.573 1
1 282 . 4 1 1 A 33 33 SER N N 33 123.249 124.058 -0.809 1
1 283 . 4 1 1 A 33 33 SER H H 33 8.887 8.945 -0.058 1
1 284 . 4 1 1 A 33 33 SER CA C 33 60.176 61.194 -1.018 1
1 285 . 4 1 1 A 33 33 SER HA H 33 4.409 4.136 0.273 1
1 286 . 4 1 1 A 33 33 SER CB C 33 63.098 62.812 0.286 1
1 288 . 4 1 1 A 33 33 SER C C 33 174.922 176.514 -1.592 1
1 290 . 4 1 1 A 34 34 TYR N N 34 120.641 118.191 2.450 1
1 291 . 4 1 1 A 34 34 TYR H H 34 8.225 7.969 0.256 1
1 292 . 4 1 1 A 34 34 TYR CA C 34 58.266 60.170 -1.904 1
1 293 . 4 1 1 A 34 34 TYR HA H 34 4.622 4.343 0.279 1
1 294 . 4 1 1 A 34 34 TYR CB C 34 38.478 38.688 -0.210 1
1 304 . 4 1 1 A 34 34 TYR C C 34 175.881 176.120 -0.239 1
1 306 . 4 1 1 A 35 35 GLY N N 35 109.142 105.533 3.609 1
1 307 . 4 1 1 A 35 35 GLY H H 35 7.416 7.607 -0.191 1
1 308 . 4 1 1 A 35 35 GLY CA C 35 44.524 44.662 -0.138 1
1 309 . 4 1 1 A 35 35 GLY HA3 H 35 4.411 4.130 0.281 1
1 310 . 4 1 1 A 35 35 GLY C C 35 172.956 172.180 0.776 1
1 311 . 4 1 1 A 35 35 GLY HA2 H 35 4.324 4.126 0.198 1
1 312 . 4 1 1 A 36 36 VAL N N 36 116.841 116.153 0.688 1
1 313 . 4 1 1 A 36 36 VAL H H 36 8.617 8.551 0.066 1
1 314 . 4 1 1 A 36 36 VAL CA C 36 57.700 58.101 -0.401 1
1 315 . 4 1 1 A 36 36 VAL HA H 36 4.880 5.005 -0.125 1
1 316 . 4 1 1 A 36 36 VAL CB C 36 33.474 33.945 -0.471 1
1 326 . 4 1 1 A 36 36 VAL C C 36 173.489 173.499 -0.010 1
1 327 . 4 1 1 A 37 37 PRO CA C 37 62.200 62.284 -0.084 1
1 328 . 4 1 1 A 37 37 PRO HA H 37 4.646 4.710 -0.064 1
1 329 . 4 1 1 A 37 37 PRO CB C 37 31.876 31.706 0.170 1
1 335 . 4 1 1 A 37 37 PRO C C 37 177.148 177.054 0.094 1
1 339 . 4 1 1 A 38 38 ALA N N 38 124.330 125.017 -0.687 1
1 340 . 4 1 1 A 38 38 ALA H H 38 8.591 8.193 0.398 1
1 341 . 4 1 1 A 38 38 ALA CA C 38 52.606 52.380 0.226 1
1 342 . 4 1 1 A 38 38 ALA HA H 38 4.189 4.258 -0.069 1
1 343 . 4 1 1 A 38 38 ALA CB C 38 18.928 19.894 -0.966 1
1 347 . 4 1 1 A 38 38 ALA C C 38 178.418 178.271 0.147 1
1 348 . 4 1 1 A 39 39 SER N N 39 109.435 115.656 -6.221 1
1 349 . 4 1 1 A 39 39 SER H H 39 8.687 9.224 -0.537 1
1 350 . 4 1 1 A 39 39 SER CA C 39 61.147 59.082 2.065 1
1 351 . 4 1 1 A 39 39 SER HA H 39 3.770 4.062 -0.292 1
1 352 . 4 1 1 A 39 39 SER CB C 39 62.322 61.681 0.641 1
1 354 . 4 1 1 A 39 39 SER C C 39 172.372 173.355 -0.983 1
1 356 . 4 1 1 A 40 40 LEU N N 40 121.668 120.882 0.786 1
1 357 . 4 1 1 A 40 40 LEU H H 40 6.981 7.729 -0.748 1
1 358 . 4 1 1 A 40 40 LEU CA C 40 51.707 50.976 0.731 1
1 359 . 4 1 1 A 40 40 LEU HA H 40 4.890 4.705 0.185 1
1 360 . 4 1 1 A 40 40 LEU CB C 40 43.441 45.601 -2.160 1
1 372 . 4 1 1 A 40 40 LEU C C 40 173.635 174.005 -0.370 1
1 374 . 4 1 1 A 41 41 PRO CA C 41 62.683 62.328 0.355 1
1 375 . 4 1 1 A 41 41 PRO HA H 41 4.490 4.628 -0.138 1
1 376 . 4 1 1 A 41 41 PRO CB C 41 31.415 30.781 0.634 1
1 382 . 4 1 1 A 41 41 PRO C C 41 175.540 175.207 0.333 1
1 386 . 4 1 1 A 42 42 VAL N N 42 124.505 122.522 1.983 1
1 387 . 4 1 1 A 42 42 VAL H H 42 8.917 7.813 1.104 1
1 388 . 4 1 1 A 42 42 VAL CA C 42 60.282 59.504 0.778 1
1 389 . 4 1 1 A 42 42 VAL HA H 42 4.408 4.635 -0.227 1
1 390 . 4 1 1 A 42 42 VAL CB C 42 34.522 34.313 0.209 1
1 400 . 4 1 1 A 42 42 VAL C C 42 171.180 174.200 -3.020 1
1 401 . 4 1 1 A 43 43 ASP N N 43 121.538 126.485 -4.947 1
1 402 . 4 1 1 A 43 43 ASP H H 43 7.549 9.069 -1.520 1
1 403 . 4 1 1 A 43 43 ASP CA C 43 51.968 52.313 -0.345 1
1 404 . 4 1 1 A 43 43 ASP HA H 43 6.324 5.839 0.485 1
1 405 . 4 1 1 A 43 43 ASP CB C 43 44.949 44.605 0.344 1
1 407 . 4 1 1 A 43 43 ASP C C 43 177.711 174.887 2.824 1
1 409 . 4 1 1 A 44 44 PHE N N 44 112.517 117.616 -5.099 1
1 410 . 4 1 1 A 44 44 PHE H H 44 9.044 7.792 1.252 1
1 411 . 4 1 1 A 44 44 PHE CA C 44 57.658 54.926 2.732 1
1 412 . 4 1 1 A 44 44 PHE HA H 44 5.069 5.426 -0.357 1
1 413 . 4 1 1 A 44 44 PHE CB C 44 41.220 42.063 -0.843 1
1 425 . 4 1 1 A 44 44 PHE C C 44 171.679 173.466 -1.787 1
1 427 . 4 1 1 A 45 45 ALA N N 45 123.935 121.096 2.839 1
1 428 . 4 1 1 A 45 45 ALA H H 45 9.468 8.922 0.546 1
1 429 . 4 1 1 A 45 45 ALA CA C 45 50.855 50.532 0.323 1
1 430 . 4 1 1 A 45 45 ALA HA H 45 5.379 5.272 0.107 1
1 431 . 4 1 1 A 45 45 ALA CB C 45 22.496 22.381 0.115 1
1 435 . 4 1 1 A 45 45 ALA C C 45 176.715 175.747 0.968 1
1 436 . 4 1 1 A 46 46 ILE N N 46 119.530 123.170 -3.640 1
1 437 . 4 1 1 A 46 46 ILE H H 46 8.686 9.089 -0.403 1
1 438 . 4 1 1 A 46 46 ILE CA C 46 59.561 60.559 -0.998 1
1 439 . 4 1 1 A 46 46 ILE HA H 46 4.863 4.750 0.113 1
1 440 . 4 1 1 A 46 46 ILE CB C 46 41.370 39.129 2.241 1
1 452 . 4 1 1 A 46 46 ILE C C 46 174.379 174.495 -0.116 1
1 454 . 4 1 1 A 47 47 ASP N N 47 127.143 127.709 -0.566 1
1 455 . 4 1 1 A 47 47 ASP H H 47 9.281 8.718 0.563 1
1 456 . 4 1 1 A 47 47 ASP CA C 47 53.297 53.154 0.143 1
1 457 . 4 1 1 A 47 47 ASP HA H 47 4.976 5.250 -0.274 1
1 458 . 4 1 1 A 47 47 ASP CB C 47 41.371 42.636 -1.265 1
1 460 . 4 1 1 A 47 47 ASP C C 47 174.962 174.982 -0.020 1
1 462 . 4 1 1 A 48 48 ALA N N 48 129.371 128.583 0.788 1
1 463 . 4 1 1 A 48 48 ALA H H 48 9.078 8.702 0.376 1
1 464 . 4 1 1 A 48 48 ALA CA C 48 50.554 50.769 -0.215 1
1 465 . 4 1 1 A 48 48 ALA HA H 48 4.641 4.905 -0.264 1
1 466 . 4 1 1 A 48 48 ALA CB C 48 19.699 20.651 -0.952 1
1 470 . 4 1 1 A 48 48 ALA C C 48 179.317 176.692 2.625 1
1 471 . 4 1 1 A 49 49 ARG N N 49 122.060 124.627 -2.567 1
1 472 . 4 1 1 A 49 49 ARG H H 49 8.590 8.913 -0.323 1
1 473 . 4 1 1 A 49 49 ARG CA C 49 60.964 57.610 3.354 1
1 474 . 4 1 1 A 49 49 ARG HA H 49 3.987 4.490 -0.503 1
1 475 . 4 1 1 A 49 49 ARG CB C 49 30.654 31.273 -0.619 1
1 483 . 4 1 1 A 49 49 ARG C C 49 178.077 176.944 1.133 1
1 487 . 4 1 1 A 50 50 ASP N N 50 116.664 116.259 0.405 1
1 488 . 4 1 1 A 50 50 ASP H H 50 8.794 8.037 0.757 1
1 489 . 4 1 1 A 50 50 ASP CA C 50 53.827 53.578 0.249 1
1 490 . 4 1 1 A 50 50 ASP HA H 50 5.040 4.942 0.098 1
1 491 . 4 1 1 A 50 50 ASP CB C 50 41.595 41.633 -0.038 1
1 493 . 4 1 1 A 50 50 ASP C C 50 175.754 176.424 -0.670 1
1 495 . 4 1 1 A 51 51 ALA N N 51 121.173 121.514 -0.341 1
1 496 . 4 1 1 A 51 51 ALA H H 51 7.406 7.767 -0.361 1
1 497 . 4 1 1 A 51 51 ALA CA C 51 52.147 52.200 -0.053 1
1 498 . 4 1 1 A 51 51 ALA HA H 51 4.414 4.544 -0.130 1
1 499 . 4 1 1 A 51 51 ALA CB C 51 23.427 19.879 3.548 1
1 503 . 4 1 1 A 51 51 ALA C C 51 176.763 178.317 -1.554 1
1 504 . 4 1 1 A 52 52 GLY N N 52 108.187 106.387 1.800 1
1 505 . 4 1 1 A 52 52 GLY H H 52 8.521 7.917 0.604 1
1 506 . 4 1 1 A 52 52 GLY CA C 52 45.210 46.051 -0.841 1
1 507 . 4 1 1 A 52 52 GLY HA3 H 52 3.859 4.126 -0.267 1
1 508 . 4 1 1 A 52 52 GLY C C 52 175.060 173.730 1.330 1
1 509 . 4 1 1 A 52 52 GLY HA2 H 52 4.492 4.076 0.416 1
1 510 . 4 1 1 A 53 53 GLU N N 53 124.810 120.542 4.268 1
1 511 . 4 1 1 A 53 53 GLU H H 53 8.643 8.459 0.184 1
1 512 . 4 1 1 A 53 53 GLU CA C 53 56.352 54.674 1.678 1
1 513 . 4 1 1 A 53 53 GLU HA H 53 4.663 5.404 -0.741 1
1 514 . 4 1 1 A 53 53 GLU CB C 53 31.164 32.878 -1.714 1
1 518 . 4 1 1 A 53 53 GLU C C 53 173.491 175.003 -1.512 1
1 521 . 4 1 1 A 54 54 GLY N N 54 111.417 108.105 3.312 1
1 522 . 4 1 1 A 54 54 GLY H H 54 7.465 8.071 -0.606 1
1 523 . 4 1 1 A 54 54 GLY CA C 54 43.622 44.779 -1.157 1
1 524 . 4 1 1 A 54 54 GLY HA3 H 54 2.287 3.858 -1.571 1
1 525 . 4 1 1 A 54 54 GLY C C 54 170.013 171.686 -1.673 1
1 526 . 4 1 1 A 54 54 GLY HA2 H 54 3.819 3.546 0.273 1
1 527 . 4 1 1 A 55 55 LEU N N 55 117.446 122.629 -5.183 1
1 528 . 4 1 1 A 55 55 LEU H H 55 7.461 7.874 -0.413 1
1 529 . 4 1 1 A 55 55 LEU CA C 55 54.041 55.065 -1.024 1
1 530 . 4 1 1 A 55 55 LEU HA H 55 4.293 4.076 0.217 1
1 531 . 4 1 1 A 55 55 LEU CB C 55 42.832 42.110 0.722 1
1 543 . 4 1 1 A 55 55 LEU C C 55 176.872 175.478 1.394 1
1 545 . 4 1 1 A 56 56 LEU N N 56 131.840 128.574 3.266 1
1 546 . 4 1 1 A 56 56 LEU H H 56 8.791 8.500 0.291 1
1 547 . 4 1 1 A 56 56 LEU CA C 56 53.807 53.526 0.281 1
1 548 . 4 1 1 A 56 56 LEU HA H 56 5.053 4.669 0.384 1
1 549 . 4 1 1 A 56 56 LEU CB C 56 43.113 43.996 -0.883 1
1 561 . 4 1 1 A 56 56 LEU C C 56 175.389 175.263 0.126 1
1 563 . 4 1 1 A 57 57 ALA N N 57 130.035 127.807 2.228 1
1 564 . 4 1 1 A 57 57 ALA H H 57 8.880 8.269 0.611 1
1 565 . 4 1 1 A 57 57 ALA CA C 57 51.758 50.310 1.448 1
1 566 . 4 1 1 A 57 57 ALA HA H 57 4.641 5.192 -0.551 1
1 567 . 4 1 1 A 57 57 ALA CB C 57 21.820 24.008 -2.188 1
1 571 . 4 1 1 A 57 57 ALA C C 57 174.647 175.607 -0.960 1
1 572 . 4 1 1 A 58 58 VAL N N 58 120.958 119.993 0.965 1
1 573 . 4 1 1 A 58 58 VAL H H 58 8.443 8.616 -0.173 1
1 574 . 4 1 1 A 58 58 VAL CA C 58 60.495 61.253 -0.758 1
1 575 . 4 1 1 A 58 58 VAL HA H 58 4.988 4.841 0.147 1
1 576 . 4 1 1 A 58 58 VAL CB C 58 34.639 34.331 0.308 1
1 586 . 4 1 1 A 58 58 VAL C C 58 174.646 174.548 0.098 1
1 587 . 4 1 1 A 59 59 GLN N N 59 127.048 128.051 -1.003 1
1 588 . 4 1 1 A 59 59 GLN H H 59 9.196 9.086 0.110 1
1 589 . 4 1 1 A 59 59 GLN CA C 59 54.587 54.275 0.312 1
1 590 . 4 1 1 A 59 59 GLN HA H 59 4.706 5.068 -0.362 1
1 591 . 4 1 1 A 59 59 GLN CB C 59 31.580 31.227 0.353 1
1 598 . 4 1 1 A 59 59 GLN C C 59 174.197 174.282 -0.085 1
1 601 . 4 1 1 A 60 60 ILE N N 60 127.617 127.395 0.222 1
1 602 . 4 1 1 A 60 60 ILE H H 60 9.299 8.990 0.309 1
1 603 . 4 1 1 A 60 60 ILE CA C 60 60.506 59.885 0.621 1
1 604 . 4 1 1 A 60 60 ILE HA H 60 5.210 5.057 0.153 1
1 605 . 4 1 1 A 60 60 ILE CB C 60 39.172 40.329 -1.157 1
1 617 . 4 1 1 A 60 60 ILE C C 60 175.608 174.913 0.695 1
1 619 . 4 1 1 A 61 61 THR N N 61 119.733 117.477 2.256 1
1 620 . 4 1 1 A 61 61 THR H H 61 8.924 8.819 0.105 1
1 621 . 4 1 1 A 61 61 THR CA C 61 59.565 59.346 0.219 1
1 622 . 4 1 1 A 61 61 THR HA H 61 5.173 5.748 -0.575 1
1 623 . 4 1 1 A 61 61 THR CB C 61 72.121 72.666 -0.545 1
1 629 . 4 1 1 A 61 61 THR C C 61 174.051 173.229 0.822 1
1 630 . 4 1 1 A 62 62 ASP N N 62 122.337 120.445 1.892 1
1 631 . 4 1 1 A 62 62 ASP H H 62 8.484 8.374 0.110 1
1 632 . 4 1 1 A 62 62 ASP CA C 62 52.200 51.415 0.785 1
1 633 . 4 1 1 A 62 62 ASP HA H 62 4.425 4.613 -0.188 1
1 634 . 4 1 1 A 62 62 ASP CB C 62 42.222 42.332 -0.110 1
1 636 . 4 1 1 A 62 62 ASP C C 62 179.086 177.755 1.331 1
1 638 . 4 1 1 A 63 63 GLN N N 63 118.341 117.669 0.672 1
1 639 . 4 1 1 A 63 63 GLN H H 63 8.250 8.773 -0.523 1
1 640 . 4 1 1 A 63 63 GLN CA C 63 58.406 58.468 -0.062 1
1 641 . 4 1 1 A 63 63 GLN HA H 63 4.049 4.062 -0.013 1
1 642 . 4 1 1 A 63 63 GLN CB C 63 28.127 28.058 0.069 1
1 649 . 4 1 1 A 63 63 GLN C C 63 177.152 178.222 -1.070 1
1 652 . 4 1 1 A 64 64 GLU N N 64 119.134 118.838 0.296 1
1 653 . 4 1 1 A 64 64 GLU H H 64 8.120 7.695 0.425 1
1 654 . 4 1 1 A 64 64 GLU CA C 64 55.790 57.082 -1.292 1
1 655 . 4 1 1 A 64 64 GLU HA H 64 4.423 4.340 0.083 1
1 656 . 4 1 1 A 64 64 GLU CB C 64 30.102 30.364 -0.262 1
1 660 . 4 1 1 A 64 64 GLU C C 64 176.374 176.676 -0.302 1
1 663 . 4 1 1 A 65 65 GLY N N 65 108.728 108.084 0.644 1
1 664 . 4 1 1 A 65 65 GLY H H 65 8.306 8.269 0.037 1
1 665 . 4 1 1 A 65 65 GLY CA C 65 45.285 46.097 -0.812 1
1 666 . 4 1 1 A 65 65 GLY HA3 H 65 3.561 3.941 -0.380 1
1 667 . 4 1 1 A 65 65 GLY C C 65 174.342 174.412 -0.070 1
1 668 . 4 1 1 A 65 65 GLY HA2 H 65 4.203 3.940 0.263 1
1 669 . 4 1 1 A 66 66 LYS N N 66 123.502 119.557 3.945 1
1 670 . 4 1 1 A 66 66 LYS H H 66 8.528 8.198 0.330 1
1 671 . 4 1 1 A 66 66 LYS CA C 66 53.738 53.247 0.491 1
1 672 . 4 1 1 A 66 66 LYS HA H 66 4.613 4.727 -0.114 1
1 673 . 4 1 1 A 66 66 LYS CB C 66 31.167 32.302 -1.135 1
1 681 . 4 1 1 A 66 66 LYS C C 66 174.752 174.320 0.432 1
1 686 . 4 1 1 A 67 67 PRO CA C 67 62.433 62.782 -0.349 1
1 687 . 4 1 1 A 67 67 PRO HA H 67 5.062 4.684 0.378 1
1 688 . 4 1 1 A 67 67 PRO CB C 67 32.725 31.785 0.940 1
1 694 . 4 1 1 A 67 67 PRO C C 67 177.270 176.003 1.267 1
1 698 . 4 1 1 A 68 68 LYS N N 68 121.461 121.773 -0.312 1
1 699 . 4 1 1 A 68 68 LYS H H 68 8.419 8.255 0.164 1
1 700 . 4 1 1 A 68 68 LYS CA C 68 52.023 54.702 -2.679 1
1 701 . 4 1 1 A 68 68 LYS HA H 68 4.797 4.935 -0.138 1
1 702 . 4 1 1 A 68 68 LYS CB C 68 32.611 35.726 -3.115 1
1 710 . 4 1 1 A 68 68 LYS C C 68 175.389 175.343 0.046 1
1 715 . 4 1 1 A 69 69 ARG N N 69 124.040 124.111 -0.071 1
1 716 . 4 1 1 A 69 69 ARG H H 69 8.683 8.725 -0.042 1
1 717 . 4 1 1 A 69 69 ARG CA C 69 57.045 56.798 0.247 1
1 718 . 4 1 1 A 69 69 ARG HA H 69 4.221 4.649 -0.428 1
1 719 . 4 1 1 A 69 69 ARG CB C 69 30.712 30.787 -0.075 1
1 725 . 4 1 1 A 69 69 ARG C C 69 174.877 175.549 -0.672 1
1 729 . 4 1 1 A 70 70 ALA N N 70 127.074 126.292 0.782 1
1 730 . 4 1 1 A 70 70 ALA H H 70 8.421 8.508 -0.087 1
1 731 . 4 1 1 A 70 70 ALA CA C 70 50.360 50.383 -0.023 1
1 732 . 4 1 1 A 70 70 ALA HA H 70 4.859 5.194 -0.335 1
1 733 . 4 1 1 A 70 70 ALA CB C 70 20.569 23.532 -2.963 1
1 737 . 4 1 1 A 70 70 ALA C C 70 176.313 175.737 0.576 1
1 738 . 4 1 1 A 71 71 ILE N N 71 124.496 120.138 4.358 1
1 739 . 4 1 1 A 71 71 ILE H H 71 8.943 8.631 0.312 1
1 740 . 4 1 1 A 71 71 ILE CA C 71 60.870 60.081 0.789 1
1 741 . 4 1 1 A 71 71 ILE HA H 71 4.195 4.683 -0.488 1
1 742 . 4 1 1 A 71 71 ILE CB C 71 38.457 39.332 -0.875 1
1 754 . 4 1 1 A 71 71 ILE C C 71 175.027 174.983 0.044 1
1 756 . 4 1 1 A 72 72 VAL N N 72 128.410 125.241 3.169 1
1 757 . 4 1 1 A 72 72 VAL H H 72 8.714 8.776 -0.062 1
1 758 . 4 1 1 A 72 72 VAL CA C 72 61.867 59.628 2.239 1
1 759 . 4 1 1 A 72 72 VAL HA H 72 4.478 5.068 -0.590 1
1 760 . 4 1 1 A 72 72 VAL CB C 72 32.745 34.469 -1.724 1
1 770 . 4 1 1 A 72 72 VAL C C 72 175.279 173.841 1.438 1
1 771 . 4 1 1 A 73 73 HIS N N 73 129.084 126.994 2.090 1
1 772 . 4 1 1 A 73 73 HIS H H 73 9.783 8.962 0.821 1
1 773 . 4 1 1 A 73 73 HIS CA C 73 55.366 54.517 0.849 1
1 774 . 4 1 1 A 73 73 HIS HA H 73 4.849 5.335 -0.486 1
1 775 . 4 1 1 A 73 73 HIS CB C 73 31.465 33.033 -1.568 1
1 781 . 4 1 1 A 73 73 HIS C C 73 173.491 173.647 -0.156 1
1 783 . 4 1 1 A 74 74 ASP N N 74 127.118 122.419 4.699 1
1 784 . 4 1 1 A 74 74 ASP H H 74 8.541 8.679 -0.138 1
1 785 . 4 1 1 A 74 74 ASP CA C 74 53.048 52.604 0.444 1
1 786 . 4 1 1 A 74 74 ASP HA H 74 4.476 5.441 -0.965 1
1 787 . 4 1 1 A 74 74 ASP CB C 74 41.554 42.625 -1.071 1
1 789 . 4 1 1 A 74 74 ASP C C 74 175.936 175.898 0.038 1
1 791 . 4 1 1 A 75 75 ASN N N 75 124.002 120.861 3.141 1
1 792 . 4 1 1 A 75 75 ASN H H 75 7.827 8.806 -0.979 1
1 793 . 4 1 1 A 75 75 ASN CA C 75 54.517 53.459 1.058 1
1 794 . 4 1 1 A 75 75 ASN HA H 75 4.572 4.891 -0.319 1
1 795 . 4 1 1 A 75 75 ASN CB C 75 38.091 39.877 -1.786 1
1 800 . 4 1 1 A 75 75 ASN C C 75 175.352 174.986 0.366 1
1 802 . 4 1 1 A 76 76 LYS N N 76 114.689 115.710 -1.021 1
1 803 . 4 1 1 A 76 76 LYS H H 76 9.246 7.683 1.563 1
1 804 . 4 1 1 A 76 76 LYS CA C 76 57.428 57.127 0.301 1
1 805 . 4 1 1 A 76 76 LYS HA H 76 3.882 3.856 0.026 1
1 806 . 4 1 1 A 76 76 LYS CB C 76 28.223 29.047 -0.824 1
1 814 . 4 1 1 A 76 76 LYS C C 76 174.975 174.726 0.249 1
1 819 . 4 1 1 A 77 77 ASP N N 77 117.462 118.351 -0.889 1
1 820 . 4 1 1 A 77 77 ASP H H 77 7.831 7.876 -0.045 1
1 821 . 4 1 1 A 77 77 ASP CA C 77 52.168 52.956 -0.788 1
1 822 . 4 1 1 A 77 77 ASP HA H 77 4.706 4.829 -0.123 1
1 823 . 4 1 1 A 77 77 ASP CB C 77 41.224 41.099 0.125 1
1 825 . 4 1 1 A 77 77 ASP C C 77 176.739 176.052 0.687 1
1 827 . 4 1 1 A 78 78 GLY N N 78 109.485 108.112 1.373 1
1 828 . 4 1 1 A 78 78 GLY H H 78 8.658 8.568 0.090 1
1 829 . 4 1 1 A 78 78 GLY CA C 78 45.568 46.054 -0.486 1
1 830 . 4 1 1 A 78 78 GLY HA3 H 78 3.698 3.845 -0.147 1
1 831 . 4 1 1 A 78 78 GLY C C 78 172.263 173.443 -1.180 1
1 832 . 4 1 1 A 78 78 GLY HA2 H 78 4.323 3.832 0.491 1
1 833 . 4 1 1 A 79 79 THR N N 79 109.462 110.007 -0.545 1
1 834 . 4 1 1 A 79 79 THR H H 79 8.057 7.232 0.825 1
1 835 . 4 1 1 A 79 79 THR CA C 79 59.989 60.036 -0.047 1
1 836 . 4 1 1 A 79 79 THR HA H 79 5.566 5.254 0.312 1
1 837 . 4 1 1 A 79 79 THR CB C 79 72.712 72.736 -0.024 1
1 843 . 4 1 1 A 79 79 THR C C 79 173.868 171.933 1.935 1
1 844 . 4 1 1 A 80 80 TYR N N 80 116.428 119.099 -2.671 1
1 845 . 4 1 1 A 80 80 TYR H H 80 9.085 8.427 0.658 1
1 846 . 4 1 1 A 80 80 TYR CA C 80 56.533 56.523 0.010 1
1 847 . 4 1 1 A 80 80 TYR HA H 80 5.372 5.044 0.328 1
1 848 . 4 1 1 A 80 80 TYR CB C 80 42.831 42.841 -0.010 1
1 858 . 4 1 1 A 80 80 TYR C C 80 175.327 174.575 0.752 1
1 860 . 4 1 1 A 81 81 ALA N N 81 126.743 125.242 1.501 1
1 861 . 4 1 1 A 81 81 ALA H H 81 9.302 8.437 0.865 1
1 862 . 4 1 1 A 81 81 ALA CA C 81 51.121 49.875 1.246 1
1 863 . 4 1 1 A 81 81 ALA HA H 81 5.149 5.459 -0.310 1
1 864 . 4 1 1 A 81 81 ALA CB C 81 22.111 22.915 -0.804 1
1 868 . 4 1 1 A 81 81 ALA C C 81 175.505 175.766 -0.261 1
1 869 . 4 1 1 A 82 82 VAL N N 82 124.472 120.628 3.844 1
1 870 . 4 1 1 A 82 82 VAL H H 82 8.940 8.354 0.586 1
1 871 . 4 1 1 A 82 82 VAL CA C 82 60.264 60.793 -0.529 1
1 872 . 4 1 1 A 82 82 VAL HA H 82 5.039 4.662 0.377 1
1 873 . 4 1 1 A 82 82 VAL CB C 82 33.236 35.024 -1.788 1
1 883 . 4 1 1 A 82 82 VAL C C 82 174.517 174.157 0.360 1
1 884 . 4 1 1 A 83 83 THR N N 83 121.500 122.614 -1.114 1
1 885 . 4 1 1 A 83 83 THR H H 83 8.717 8.798 -0.081 1
1 886 . 4 1 1 A 83 83 THR CA C 83 61.075 61.671 -0.596 1
1 887 . 4 1 1 A 83 83 THR HA H 83 5.497 5.365 0.132 1
1 888 . 4 1 1 A 83 83 THR CB C 83 72.153 71.278 0.875 1
1 894 . 4 1 1 A 83 83 THR C C 83 173.515 173.519 -0.004 1
1 895 . 4 1 1 A 84 84 TYR N N 84 122.841 120.883 1.958 1
1 896 . 4 1 1 A 84 84 TYR H H 84 9.014 8.875 0.139 1
1 897 . 4 1 1 A 84 84 TYR CA C 84 55.985 55.840 0.145 1
1 898 . 4 1 1 A 84 84 TYR HA H 84 4.979 5.289 -0.310 1
1 899 . 4 1 1 A 84 84 TYR CB C 84 41.967 41.665 0.302 1
1 909 . 4 1 1 A 84 84 TYR C C 84 171.873 172.854 -0.981 1
1 911 . 4 1 1 A 85 85 ILE N N 85 118.254 123.642 -5.388 1
1 912 . 4 1 1 A 85 85 ILE H H 85 8.805 8.851 -0.046 1
1 913 . 4 1 1 A 85 85 ILE CA C 85 57.883 58.066 -0.183 1
1 914 . 4 1 1 A 85 85 ILE HA H 85 4.550 4.540 0.010 1
1 915 . 4 1 1 A 85 85 ILE CB C 85 40.179 38.647 1.532 1
1 927 . 4 1 1 A 85 85 ILE C C 85 174.339 174.754 -0.415 1
1 929 . 4 1 1 A 86 86 PRO CA C 86 61.414 62.346 -0.932 1
1 930 . 4 1 1 A 86 86 PRO HA H 86 4.436 4.701 -0.265 1
1 931 . 4 1 1 A 86 86 PRO CB C 86 30.107 30.072 0.035 1
1 937 . 4 1 1 A 86 86 PRO C C 86 175.126 176.341 -1.215 1
1 941 . 4 1 1 A 87 87 ASP N N 87 123.447 123.967 -0.520 1
1 942 . 4 1 1 A 87 87 ASP H H 87 8.501 8.663 -0.162 1
1 943 . 4 1 1 A 87 87 ASP CA C 87 55.668 53.330 2.338 1
1 944 . 4 1 1 A 87 87 ASP HA H 87 4.263 4.951 -0.688 1
1 945 . 4 1 1 A 87 87 ASP CB C 87 40.930 41.397 -0.467 1
1 947 . 4 1 1 A 87 87 ASP C C 87 175.182 175.263 -0.081 1
1 949 . 4 1 1 A 88 88 LYS N N 88 116.947 119.460 -2.513 1
1 950 . 4 1 1 A 88 88 LYS H H 88 7.683 7.793 -0.110 1
1 951 . 4 1 1 A 88 88 LYS CA C 88 54.995 55.237 -0.242 1
1 952 . 4 1 1 A 88 88 LYS HA H 88 4.588 4.835 -0.247 1
1 953 . 4 1 1 A 88 88 LYS CB C 88 34.821 35.855 -1.034 1
1 961 . 4 1 1 A 88 88 LYS C C 88 177.529 176.121 1.408 1
1 966 . 4 1 1 A 89 89 THR N N 89 114.134 116.362 -2.228 1
1 967 . 4 1 1 A 89 89 THR H H 89 8.588 8.846 -0.258 1
1 968 . 4 1 1 A 89 89 THR CA C 89 62.828 61.977 0.851 1
1 969 . 4 1 1 A 89 89 THR HA H 89 4.083 4.646 -0.563 1
1 970 . 4 1 1 A 89 89 THR CB C 89 69.590 69.758 -0.168 1
1 976 . 4 1 1 A 89 89 THR C C 89 174.269 174.220 0.049 1
1 977 . 4 1 1 A 90 90 GLY N N 90 109.440 108.987 0.453 1
1 978 . 4 1 1 A 90 90 GLY H H 90 8.444 8.473 -0.029 1
1 979 . 4 1 1 A 90 90 GLY CA C 90 44.648 45.300 -0.652 1
1 980 . 4 1 1 A 90 90 GLY HA3 H 90 4.467 4.211 0.256 1
1 981 . 4 1 1 A 90 90 GLY C C 90 172.469 171.886 0.583 1
1 982 . 4 1 1 A 90 90 GLY HA2 H 90 3.908 4.158 -0.250 1
1 983 . 4 1 1 A 91 91 ARG N N 91 120.781 122.445 -1.664 1
1 984 . 4 1 1 A 91 91 ARG H H 91 8.271 8.208 0.063 1
1 985 . 4 1 1 A 91 91 ARG CA C 91 56.178 54.649 1.529 1
1 986 . 4 1 1 A 91 91 ARG HA H 91 4.951 5.144 -0.193 1
1 987 . 4 1 1 A 91 91 ARG CB C 91 31.986 32.676 -0.690 1
1 993 . 4 1 1 A 91 91 ARG C C 91 175.711 174.721 0.990 1
1 997 . 4 1 1 A 92 92 TYR N N 92 122.381 122.429 -0.048 1
1 998 . 4 1 1 A 92 92 TYR H H 92 9.312 9.275 0.037 1
1 999 . 4 1 1 A 92 92 TYR CA C 92 56.886 56.569 0.317 1
1 1000 . 4 1 1 A 92 92 TYR HA H 92 4.960 5.104 -0.144 1
1 1001 . 4 1 1 A 92 92 TYR CB C 92 41.223 40.658 0.565 1
1 1011 . 4 1 1 A 92 92 TYR C C 92 174.902 174.629 0.273 1
1 1013 . 4 1 1 A 93 93 MET N N 93 121.210 125.025 -3.815 1
1 1014 . 4 1 1 A 93 93 MET H H 93 8.819 8.733 0.086 1
1 1015 . 4 1 1 A 93 93 MET CA C 93 53.745 53.913 -0.168 1
1 1016 . 4 1 1 A 93 93 MET HA H 93 5.346 5.510 -0.164 1
1 1017 . 4 1 1 A 93 93 MET CB C 93 34.220 34.650 -0.430 1
1 1025 . 4 1 1 A 93 93 MET C C 93 175.365 174.811 0.554 1
1 1028 . 4 1 1 A 94 94 ILE N N 94 125.747 126.345 -0.598 1
1 1029 . 4 1 1 A 94 94 ILE H H 94 9.372 8.823 0.549 1
1 1030 . 4 1 1 A 94 94 ILE CA C 94 60.685 59.740 0.945 1
1 1031 . 4 1 1 A 94 94 ILE HA H 94 4.606 5.037 -0.431 1
1 1032 . 4 1 1 A 94 94 ILE CB C 94 39.188 39.098 0.090 1
1 1044 . 4 1 1 A 94 94 ILE C C 94 174.987 175.175 -0.188 1
1 1046 . 4 1 1 A 95 95 GLY N N 95 116.553 115.298 1.255 1
1 1047 . 4 1 1 A 95 95 GLY H H 95 9.509 9.272 0.237 1
1 1048 . 4 1 1 A 95 95 GLY CA C 95 44.507 45.280 -0.773 1
1 1049 . 4 1 1 A 95 95 GLY HA3 H 95 3.605 4.152 -0.547 1
1 1050 . 4 1 1 A 95 95 GLY C C 95 173.175 172.619 0.556 1
1 1051 . 4 1 1 A 95 95 GLY HA2 H 95 4.606 4.127 0.479 1
1 1052 . 4 1 1 A 96 96 VAL N N 96 127.036 127.428 -0.392 1
1 1053 . 4 1 1 A 96 96 VAL H H 96 9.299 8.554 0.745 1
1 1054 . 4 1 1 A 96 96 VAL CA C 96 61.308 62.754 -1.446 1
1 1055 . 4 1 1 A 96 96 VAL HA H 96 4.889 4.372 0.517 1
1 1056 . 4 1 1 A 96 96 VAL CB C 96 34.145 31.879 2.266 1
1 1066 . 4 1 1 A 96 96 VAL C C 96 174.354 175.535 -1.181 1
1 1067 . 4 1 1 A 97 97 THR N N 97 115.219 118.357 -3.138 1
1 1068 . 4 1 1 A 97 97 THR H H 97 9.018 8.843 0.175 1
1 1069 . 4 1 1 A 97 97 THR CA C 97 57.826 59.650 -1.824 1
1 1070 . 4 1 1 A 97 97 THR HA H 97 5.265 5.378 -0.113 1
1 1071 . 4 1 1 A 97 97 THR CB C 97 72.753 71.974 0.779 1
1 1077 . 4 1 1 A 97 97 THR C C 97 173.175 172.940 0.235 1
1 1078 . 4 1 1 A 98 98 TYR N N 98 122.768 123.175 -0.407 1
1 1079 . 4 1 1 A 98 98 TYR H H 98 9.149 9.382 -0.233 1
1 1080 . 4 1 1 A 98 98 TYR CA C 98 57.488 57.251 0.237 1
1 1081 . 4 1 1 A 98 98 TYR HA H 98 5.077 4.922 0.155 1
1 1082 . 4 1 1 A 98 98 TYR CB C 98 43.122 41.582 1.540 1
1 1092 . 4 1 1 A 98 98 TYR C C 98 175.949 175.468 0.481 1
1 1094 . 4 1 1 A 99 99 GLY N N 99 113.994 115.312 -1.318 1
1 1095 . 4 1 1 A 99 99 GLY H H 99 8.402 9.037 -0.635 1
1 1096 . 4 1 1 A 99 99 GLY CA C 99 45.010 46.554 -1.544 1
1 1097 . 4 1 1 A 99 99 GLY HA3 H 99 2.623 3.447 -0.824 1
1 1098 . 4 1 1 A 99 99 GLY C C 99 174.197 175.266 -1.069 1
1 1099 . 4 1 1 A 99 99 GLY HA2 H 99 3.220 3.216 0.004 1
1 1100 . 4 1 1 A 100 100 GLY N N 100 103.115 106.070 -2.955 1
1 1101 . 4 1 1 A 100 100 GLY H H 100 8.288 8.628 -0.340 1
1 1102 . 4 1 1 A 100 100 GLY CA C 100 44.170 46.556 -2.386 1
1 1103 . 4 1 1 A 100 100 GLY HA3 H 100 4.265 3.919 0.346 1
1 1104 . 4 1 1 A 100 100 GLY C C 100 173.054 173.388 -0.334 1
1 1105 . 4 1 1 A 100 100 GLY HA2 H 100 3.284 3.905 -0.621 1
1 1106 . 4 1 1 A 101 101 ASP N N 101 120.566 119.466 1.100 1
1 1107 . 4 1 1 A 101 101 ASP H H 101 7.245 7.947 -0.702 1
1 1108 . 4 1 1 A 101 101 ASP CA C 101 52.908 53.147 -0.239 1
1 1109 . 4 1 1 A 101 101 ASP HA H 101 5.012 5.154 -0.142 1
1 1110 . 4 1 1 A 101 101 ASP CB C 101 42.831 44.246 -1.415 1
1 1112 . 4 1 1 A 101 101 ASP C C 101 175.182 175.242 -0.060 1
1 1114 . 4 1 1 A 102 102 ASP N N 102 122.668 125.379 -2.711 1
1 1115 . 4 1 1 A 102 102 ASP H H 102 8.597 8.960 -0.363 1
1 1116 . 4 1 1 A 102 102 ASP CA C 102 56.233 54.256 1.977 1
1 1117 . 4 1 1 A 102 102 ASP HA H 102 4.667 4.861 -0.194 1
1 1118 . 4 1 1 A 102 102 ASP CB C 102 42.373 41.305 1.068 1
1 1120 . 4 1 1 A 102 102 ASP C C 102 176.970 176.132 0.838 1
1 1122 . 4 1 1 A 103 103 ILE N N 103 117.672 118.596 -0.924 1
1 1123 . 4 1 1 A 103 103 ILE H H 103 7.887 8.404 -0.517 1
1 1124 . 4 1 1 A 103 103 ILE CA C 103 61.025 59.720 1.305 1
1 1125 . 4 1 1 A 103 103 ILE HA H 103 4.526 4.602 -0.076 1
1 1126 . 4 1 1 A 103 103 ILE CB C 103 35.534 37.611 -2.077 1
1 1138 . 4 1 1 A 103 103 ILE C C 103 173.902 176.486 -2.584 1
1 1140 . 4 1 1 A 104 104 PRO CA C 104 66.456 64.205 2.251 1
1 1141 . 4 1 1 A 104 104 PRO HA H 104 4.177 4.533 -0.356 1
1 1142 . 4 1 1 A 104 104 PRO CB C 104 31.709 31.610 0.099 1
1 1151 . 4 1 1 A 105 105 LEU N N 105 115.386 117.699 -2.313 1
1 1152 . 4 1 1 A 105 105 LEU H H 105 8.464 8.013 0.451 1
1 1153 . 4 1 1 A 105 105 LEU CA C 105 55.294 56.301 -1.007 1
1 1154 . 4 1 1 A 105 105 LEU HA H 105 3.845 4.222 -0.377 1
1 1155 . 4 1 1 A 105 105 LEU CB C 105 39.148 43.145 -3.997 1
1 1168 . 4 1 1 A 106 106 SER N N 106 111.669 115.336 -3.667 1
1 1169 . 4 1 1 A 106 106 SER H H 106 7.338 7.696 -0.358 1
1 1170 . 4 1 1 A 106 106 SER CA C 106 54.750 57.402 -2.652 1
1 1171 . 4 1 1 A 106 106 SER HA H 106 4.347 4.677 -0.330 1
1 1172 . 4 1 1 A 106 106 SER CB C 106 64.133 62.672 1.461 1
1 1175 . 4 1 1 A 107 107 PRO CA C 107 62.344 62.470 -0.126 1
1 1176 . 4 1 1 A 107 107 PRO HA H 107 5.323 4.775 0.548 1
1 1177 . 4 1 1 A 107 107 PRO CB C 107 33.977 32.545 1.432 1
1 1183 . 4 1 1 A 107 107 PRO C C 107 176.003 174.884 1.119 1
1 1187 . 4 1 1 A 108 108 TYR N N 108 122.832 119.303 3.529 1
1 1188 . 4 1 1 A 108 108 TYR H H 108 9.294 8.519 0.775 1
1 1189 . 4 1 1 A 108 108 TYR CA C 108 57.629 57.242 0.387 1
1 1190 . 4 1 1 A 108 108 TYR HA H 108 4.428 4.933 -0.505 1
1 1191 . 4 1 1 A 108 108 TYR CB C 108 40.091 40.685 -0.594 1
1 1201 . 4 1 1 A 108 108 TYR C C 108 175.851 175.172 0.679 1
1 1203 . 4 1 1 A 109 109 ARG N N 109 122.941 123.414 -0.473 1
1 1204 . 4 1 1 A 109 109 ARG H H 109 8.746 8.837 -0.091 1
1 1205 . 4 1 1 A 109 109 ARG CA C 109 55.259 55.776 -0.517 1
1 1206 . 4 1 1 A 109 109 ARG HA H 109 5.189 4.777 0.412 1
1 1207 . 4 1 1 A 109 109 ARG CB C 109 30.879 31.251 -0.372 1
1 1213 . 4 1 1 A 109 109 ARG C C 109 175.522 175.302 0.220 1
1 1217 . 4 1 1 A 110 110 ILE N N 110 125.109 124.498 0.611 1
1 1218 . 4 1 1 A 110 110 ILE H H 110 8.742 8.547 0.195 1
1 1219 . 4 1 1 A 110 110 ILE CA C 110 57.577 59.294 -1.717 1
1 1220 . 4 1 1 A 110 110 ILE HA H 110 4.758 4.895 -0.137 1
1 1221 . 4 1 1 A 110 110 ILE CB C 110 41.138 42.387 -1.249 1
1 1233 . 4 1 1 A 110 110 ILE C C 110 175.121 174.820 0.301 1
1 1235 . 4 1 1 A 111 111 ARG N N 111 125.357 125.071 0.286 1
1 1236 . 4 1 1 A 111 111 ARG H H 111 8.776 8.832 -0.056 1
1 1237 . 4 1 1 A 111 111 ARG CA C 111 54.730 54.273 0.457 1
1 1238 . 4 1 1 A 111 111 ARG HA H 111 5.053 5.196 -0.143 1
1 1239 . 4 1 1 A 111 111 ARG CB C 111 32.685 32.252 0.433 1
1 1245 . 4 1 1 A 111 111 ARG C C 111 174.163 175.036 -0.873 1
1 1249 . 4 1 1 A 112 112 ALA N N 112 127.119 127.791 -0.672 1
1 1250 . 4 1 1 A 112 112 ALA H H 112 9.208 8.517 0.691 1
1 1251 . 4 1 1 A 112 112 ALA CA C 112 49.945 51.809 -1.864 1
1 1252 . 4 1 1 A 112 112 ALA HA H 112 5.851 4.829 1.022 1
1 1253 . 4 1 1 A 112 112 ALA CB C 112 21.329 18.914 2.415 1
1 1257 . 4 1 1 A 112 112 ALA C C 112 178.853 177.088 1.765 1
1 1258 . 4 1 1 A 113 113 THR N N 113 116.033 116.228 -0.195 1
1 1259 . 4 1 1 A 113 113 THR H H 113 8.995 8.345 0.650 1
1 1260 . 4 1 1 A 113 113 THR CA C 113 60.312 62.152 -1.840 1
1 1261 . 4 1 1 A 113 113 THR HA H 113 4.695 4.421 0.274 1
1 1262 . 4 1 1 A 113 113 THR CB C 113 71.251 69.435 1.816 1
1 1268 . 4 1 1 A 113 113 THR C C 113 173.710 173.763 -0.053 1
1 1269 . 4 1 1 A 114 114 GLN N N 114 122.122 125.496 -3.374 1
1 1270 . 4 1 1 A 114 114 GLN H H 114 8.753 8.840 -0.087 1
1 1271 . 4 1 1 A 114 114 GLN CA C 114 55.817 54.764 1.053 1
1 1272 . 4 1 1 A 114 114 GLN HA H 114 4.570 5.147 -0.577 1
1 1273 . 4 1 1 A 114 114 GLN CB C 114 30.106 30.622 -0.516 1
1 1280 . 4 1 1 A 114 114 GLN C C 114 176.106 174.533 1.573 1
1 1283 . 4 1 1 A 115 115 THR N N 115 117.345 120.609 -3.264 1
1 1284 . 4 1 1 A 115 115 THR H H 115 8.493 8.720 -0.227 1
1 1285 . 4 1 1 A 115 115 THR CA C 115 62.328 61.349 0.979 1
1 1286 . 4 1 1 A 115 115 THR HA H 115 4.351 4.989 -0.638 1
1 1287 . 4 1 1 A 115 115 THR CB C 115 69.874 71.402 -1.528 1
1 1293 . 4 1 1 A 115 115 THR C C 115 175.158 173.714 1.444 1
1 1294 . 4 1 1 A 116 116 GLY N N 116 111.927 113.519 -1.592 1
1 1295 . 4 1 1 A 116 116 GLY H H 116 8.559 8.977 -0.418 1
1 1296 . 4 1 1 A 116 116 GLY CA C 116 45.315 44.341 0.974 1
1 1297 . 4 1 1 A 116 116 GLY HA3 H 116 3.934 4.262 -0.328 1
1 1298 . 4 1 1 A 116 116 GLY C C 116 173.820 172.618 1.202 1
1 1299 . 4 1 1 A 116 116 GLY HA2 H 116 4.030 4.261 -0.231 1
1 1300 . 4 1 1 A 117 117 ASP N N 117 120.643 118.752 1.891 1
1 1301 . 4 1 1 A 117 117 ASP H H 117 8.208 8.779 -0.571 1
1 1302 . 4 1 1 A 117 117 ASP CA C 117 54.393 52.337 2.056 1
1 1303 . 4 1 1 A 117 117 ASP HA H 117 4.615 5.330 -0.715 1
1 1304 . 4 1 1 A 117 117 ASP CB C 117 41.388 44.121 -2.733 1
1 1306 . 4 1 1 A 117 117 ASP C C 117 175.973 174.639 1.334 1
1 1308 . 4 1 1 A 118 118 ALA N N 118 124.934 123.451 1.483 1
1 1309 . 4 1 1 A 118 118 ALA H H 118 8.312 8.439 -0.127 1
1 1310 . 4 1 1 A 118 118 ALA CA C 118 52.447 52.538 -0.091 1
1 1311 . 4 1 1 A 118 118 ALA HA H 118 4.415 4.406 0.009 1
1 1312 . 4 1 1 A 118 118 ALA CB C 118 19.339 18.283 1.056 1
1 1316 . 4 1 1 A 118 118 ALA C C 118 176.848 177.223 -0.375 1
1 1 . 5 1 1 A 9 9 SER HA H 9 4.733 4.996 -0.263 1
1 2 . 5 1 1 A 10 10 PRO CA C 10 63.335 62.474 0.861 1
1 3 . 5 1 1 A 10 10 PRO HA H 10 4.399 4.767 -0.368 1
1 4 . 5 1 1 A 10 10 PRO CB C 10 31.938 33.396 -1.458 1
1 10 . 5 1 1 A 10 10 PRO C C 10 176.442 175.707 0.735 1
1 14 . 5 1 1 A 11 11 PHE N N 11 119.801 115.806 3.995 1
1 15 . 5 1 1 A 11 11 PHE H H 11 8.036 8.577 -0.541 1
1 16 . 5 1 1 A 11 11 PHE CA C 11 57.505 55.411 2.094 1
1 17 . 5 1 1 A 11 11 PHE HA H 11 4.606 5.340 -0.734 1
1 18 . 5 1 1 A 11 11 PHE CB C 11 39.592 39.955 -0.363 1
1 30 . 5 1 1 A 11 11 PHE C C 11 175.401 174.203 1.198 1
1 32 . 5 1 1 A 12 12 LYS N N 12 123.563 124.091 -0.528 1
1 33 . 5 1 1 A 12 12 LYS H H 12 8.112 8.347 -0.235 1
1 34 . 5 1 1 A 12 12 LYS CA C 12 56.175 53.995 2.180 1
1 35 . 5 1 1 A 12 12 LYS HA H 12 4.322 4.806 -0.484 1
1 36 . 5 1 1 A 12 12 LYS CB C 12 33.352 36.657 -3.305 1
1 44 . 5 1 1 A 12 12 LYS C C 12 175.802 175.398 0.404 1
1 49 . 5 1 1 A 13 13 VAL N N 13 122.071 122.125 -0.054 1
1 50 . 5 1 1 A 13 13 VAL H H 13 8.080 8.414 -0.334 1
1 51 . 5 1 1 A 13 13 VAL CA C 13 62.280 62.629 -0.349 1
1 52 . 5 1 1 A 13 13 VAL HA H 13 4.036 4.015 0.021 1
1 53 . 5 1 1 A 13 13 VAL CB C 13 32.895 32.892 0.003 1
1 63 . 5 1 1 A 13 13 VAL C C 13 175.814 175.205 0.609 1
1 64 . 5 1 1 A 14 14 LYS N N 14 125.874 127.488 -1.614 1
1 65 . 5 1 1 A 14 14 LYS H H 14 8.392 8.611 -0.219 1
1 66 . 5 1 1 A 14 14 LYS CA C 14 56.250 55.080 1.170 1
1 67 . 5 1 1 A 14 14 LYS HA H 14 4.322 4.860 -0.538 1
1 68 . 5 1 1 A 14 14 LYS CB C 14 33.193 34.181 -0.988 1
1 73 . 5 1 1 A 14 14 LYS C C 14 175.973 176.163 -0.190 1
1 75 . 5 1 1 A 15 15 VAL N N 15 123.129 119.349 3.780 1
1 76 . 5 1 1 A 15 15 VAL H H 15 8.204 8.796 -0.592 1
1 77 . 5 1 1 A 15 15 VAL CA C 15 62.033 59.804 2.229 1
1 78 . 5 1 1 A 15 15 VAL HA H 15 4.100 4.773 -0.673 1
1 79 . 5 1 1 A 15 15 VAL CB C 15 32.858 34.277 -1.419 1
1 89 . 5 1 1 A 15 15 VAL C C 15 175.717 176.006 -0.289 1
1 90 . 5 1 1 A 16 16 LEU N N 16 127.971 124.261 3.710 1
1 91 . 5 1 1 A 16 16 LEU H H 16 8.378 8.441 -0.063 1
1 92 . 5 1 1 A 16 16 LEU CA C 16 52.885 54.059 -1.174 1
1 93 . 5 1 1 A 16 16 LEU HA H 16 4.624 4.215 0.409 1
1 94 . 5 1 1 A 16 16 LEU CB C 16 41.706 41.580 0.126 1
1 106 . 5 1 1 A 16 16 LEU C C 16 175.092 174.874 0.218 1
1 108 . 5 1 1 A 17 17 PRO CA C 17 62.704 62.250 0.454 1
1 109 . 5 1 1 A 17 17 PRO HA H 17 4.556 4.576 -0.020 1
1 110 . 5 1 1 A 17 17 PRO CB C 17 32.293 32.496 -0.203 1
1 116 . 5 1 1 A 17 17 PRO C C 17 177.319 177.489 -0.170 1
1 120 . 5 1 1 A 18 18 THR N N 18 112.726 114.885 -2.159 1
1 121 . 5 1 1 A 18 18 THR H H 18 8.497 8.614 -0.117 1
1 122 . 5 1 1 A 18 18 THR CA C 18 62.335 64.934 -2.599 1
1 123 . 5 1 1 A 18 18 THR HA H 18 4.352 4.162 0.190 1
1 124 . 5 1 1 A 18 18 THR CB C 18 69.700 68.755 0.945 1
1 130 . 5 1 1 A 18 18 THR C C 18 173.418 174.959 -1.541 1
1 131 . 5 1 1 A 19 19 TYR N N 19 118.883 119.537 -0.654 1
1 132 . 5 1 1 A 19 19 TYR H H 19 7.244 7.840 -0.596 1
1 133 . 5 1 1 A 19 19 TYR CA C 19 55.270 57.237 -1.967 1
1 134 . 5 1 1 A 19 19 TYR HA H 19 5.404 4.889 0.515 1
1 135 . 5 1 1 A 19 19 TYR CB C 19 40.974 40.238 0.736 1
1 145 . 5 1 1 A 19 19 TYR C C 19 174.318 174.354 -0.036 1
1 147 . 5 1 1 A 20 20 ASP N N 20 118.193 119.462 -1.269 1
1 148 . 5 1 1 A 20 20 ASP H H 20 8.686 9.407 -0.721 1
1 149 . 5 1 1 A 20 20 ASP CA C 20 53.226 53.123 0.103 1
1 150 . 5 1 1 A 20 20 ASP HA H 20 4.539 5.050 -0.511 1
1 151 . 5 1 1 A 20 20 ASP CB C 20 41.490 44.672 -3.182 1
1 153 . 5 1 1 A 20 20 ASP C C 20 176.349 176.128 0.221 1
1 155 . 5 1 1 A 21 21 ALA N N 21 127.255 126.295 0.960 1
1 156 . 5 1 1 A 21 21 ALA H H 21 9.404 9.061 0.343 1
1 157 . 5 1 1 A 21 21 ALA CA C 21 55.157 55.347 -0.190 1
1 158 . 5 1 1 A 21 21 ALA HA H 21 4.204 4.260 -0.056 1
1 159 . 5 1 1 A 21 21 ALA CB C 21 19.890 18.929 0.961 1
1 163 . 5 1 1 A 21 21 ALA C C 21 178.113 179.596 -1.483 1
1 164 . 5 1 1 A 22 22 SER N N 22 110.959 113.132 -2.173 1
1 165 . 5 1 1 A 22 22 SER H H 22 8.397 8.223 0.174 1
1 166 . 5 1 1 A 22 22 SER CA C 22 60.794 61.025 -0.231 1
1 167 . 5 1 1 A 22 22 SER HA H 22 4.363 4.217 0.146 1
1 168 . 5 1 1 A 22 22 SER CB C 22 62.850 62.980 -0.130 1
1 170 . 5 1 1 A 22 22 SER C C 22 175.425 175.719 -0.294 1
1 172 . 5 1 1 A 23 23 LYS N N 23 119.671 117.392 2.279 1
1 173 . 5 1 1 A 23 23 LYS H H 23 7.366 7.720 -0.354 1
1 174 . 5 1 1 A 23 23 LYS CA C 23 54.818 56.385 -1.567 1
1 175 . 5 1 1 A 23 23 LYS HA H 23 4.368 4.289 0.079 1
1 176 . 5 1 1 A 23 23 LYS CB C 23 33.063 32.758 0.305 1
1 184 . 5 1 1 A 23 23 LYS C C 23 176.544 174.840 1.704 1
1 189 . 5 1 1 A 24 24 VAL N N 24 123.377 120.256 3.121 1
1 190 . 5 1 1 A 24 24 VAL H H 24 7.392 7.687 -0.295 1
1 191 . 5 1 1 A 24 24 VAL CA C 24 62.722 61.425 1.297 1
1 192 . 5 1 1 A 24 24 VAL HA H 24 4.184 4.529 -0.345 1
1 193 . 5 1 1 A 24 24 VAL CB C 24 31.780 33.455 -1.675 1
1 203 . 5 1 1 A 24 24 VAL C C 24 175.644 175.396 0.248 1
1 204 . 5 1 1 A 25 25 THR N N 25 117.441 118.990 -1.549 1
1 205 . 5 1 1 A 25 25 THR H H 25 8.384 8.623 -0.239 1
1 206 . 5 1 1 A 25 25 THR CA C 25 59.858 60.390 -0.532 1
1 207 . 5 1 1 A 25 25 THR HA H 25 4.784 5.243 -0.459 1
1 208 . 5 1 1 A 25 25 THR CB C 25 71.687 71.492 0.195 1
1 214 . 5 1 1 A 25 25 THR C C 25 172.360 173.377 -1.017 1
1 215 . 5 1 1 A 26 26 ALA N N 26 123.956 126.616 -2.660 1
1 216 . 5 1 1 A 26 26 ALA H H 26 8.440 9.076 -0.636 1
1 217 . 5 1 1 A 26 26 ALA CA C 26 51.022 50.164 0.858 1
1 218 . 5 1 1 A 26 26 ALA HA H 26 5.575 5.669 -0.094 1
1 219 . 5 1 1 A 26 26 ALA CB C 26 22.576 22.904 -0.328 1
1 223 . 5 1 1 A 26 26 ALA C C 26 176.301 176.098 0.203 1
1 224 . 5 1 1 A 27 27 SER N N 27 114.430 115.578 -1.148 1
1 225 . 5 1 1 A 27 27 SER H H 27 9.021 8.650 0.371 1
1 226 . 5 1 1 A 27 27 SER CA C 27 57.771 57.325 0.446 1
1 227 . 5 1 1 A 27 27 SER HA H 27 4.745 5.311 -0.566 1
1 228 . 5 1 1 A 27 27 SER CB C 27 65.911 67.496 -1.585 1
1 230 . 5 1 1 A 27 27 SER C C 27 172.798 173.053 -0.255 1
1 232 . 5 1 1 A 28 28 GLY N N 28 108.618 110.104 -1.486 1
1 233 . 5 1 1 A 28 28 GLY H H 28 8.516 8.423 0.093 1
1 234 . 5 1 1 A 28 28 GLY CA C 28 44.966 44.487 0.479 1
1 235 . 5 1 1 A 28 28 GLY HA3 H 28 4.102 4.274 -0.172 1
1 236 . 5 1 1 A 28 28 GLY C C 28 173.392 174.149 -0.757 1
1 237 . 5 1 1 A 28 28 GLY HA2 H 28 5.026 4.222 0.804 1
1 238 . 5 1 1 A 29 29 PRO CA C 29 65.446 64.992 0.454 1
1 239 . 5 1 1 A 29 29 PRO HA H 29 4.399 4.415 -0.016 1
1 240 . 5 1 1 A 29 29 PRO CB C 29 31.739 32.050 -0.311 1
1 246 . 5 1 1 A 29 29 PRO C C 29 179.804 178.779 1.025 1
1 250 . 5 1 1 A 30 30 GLY N N 30 103.199 105.836 -2.637 1
1 251 . 5 1 1 A 30 30 GLY H H 30 9.156 8.486 0.670 1
1 252 . 5 1 1 A 30 30 GLY CA C 30 46.458 46.842 -0.384 1
1 253 . 5 1 1 A 30 30 GLY HA3 H 30 3.331 4.330 -0.999 1
1 254 . 5 1 1 A 30 30 GLY C C 30 171.694 174.661 -2.967 1
1 255 . 5 1 1 A 30 30 GLY HA2 H 30 4.062 4.182 -0.120 1
1 256 . 5 1 1 A 31 31 LEU N N 31 116.112 119.716 -3.604 1
1 257 . 5 1 1 A 31 31 LEU H H 31 7.351 7.801 -0.450 1
1 258 . 5 1 1 A 31 31 LEU CA C 31 52.607 54.284 -1.677 1
1 259 . 5 1 1 A 31 31 LEU HA H 31 4.269 4.665 -0.396 1
1 260 . 5 1 1 A 31 31 LEU CB C 31 41.265 42.697 -1.432 1
1 272 . 5 1 1 A 31 31 LEU C C 31 176.751 176.313 0.438 1
1 274 . 5 1 1 A 32 32 SER N N 32 114.056 117.894 -3.838 1
1 275 . 5 1 1 A 32 32 SER H H 32 6.986 7.709 -0.723 1
1 276 . 5 1 1 A 32 32 SER CA C 32 58.750 57.652 1.098 1
1 277 . 5 1 1 A 32 32 SER HA H 32 4.268 4.541 -0.273 1
1 278 . 5 1 1 A 32 32 SER CB C 32 64.571 63.847 0.724 1
1 280 . 5 1 1 A 32 32 SER C C 32 176.483 175.440 1.043 1
1 282 . 5 1 1 A 33 33 SER N N 33 123.249 123.582 -0.333 1
1 283 . 5 1 1 A 33 33 SER H H 33 8.887 9.065 -0.178 1
1 284 . 5 1 1 A 33 33 SER CA C 33 60.176 61.581 -1.405 1
1 285 . 5 1 1 A 33 33 SER HA H 33 4.409 4.117 0.292 1
1 286 . 5 1 1 A 33 33 SER CB C 33 63.098 62.422 0.676 1
1 288 . 5 1 1 A 33 33 SER C C 33 174.922 175.917 -0.995 1
1 290 . 5 1 1 A 34 34 TYR N N 34 120.641 119.701 0.940 1
1 291 . 5 1 1 A 34 34 TYR H H 34 8.225 8.179 0.046 1
1 292 . 5 1 1 A 34 34 TYR CA C 34 58.266 60.143 -1.877 1
1 293 . 5 1 1 A 34 34 TYR HA H 34 4.622 4.333 0.289 1
1 294 . 5 1 1 A 34 34 TYR CB C 34 38.478 38.658 -0.180 1
1 304 . 5 1 1 A 34 34 TYR C C 34 175.881 176.082 -0.201 1
1 306 . 5 1 1 A 35 35 GLY N N 35 109.142 105.528 3.614 1
1 307 . 5 1 1 A 35 35 GLY H H 35 7.416 7.493 -0.077 1
1 308 . 5 1 1 A 35 35 GLY CA C 35 44.524 44.647 -0.123 1
1 309 . 5 1 1 A 35 35 GLY HA3 H 35 4.411 4.113 0.298 1
1 310 . 5 1 1 A 35 35 GLY C C 35 172.956 172.166 0.790 1
1 311 . 5 1 1 A 35 35 GLY HA2 H 35 4.324 4.112 0.212 1
1 312 . 5 1 1 A 36 36 VAL N N 36 116.841 116.017 0.824 1
1 313 . 5 1 1 A 36 36 VAL H H 36 8.617 8.651 -0.034 1
1 314 . 5 1 1 A 36 36 VAL CA C 36 57.700 58.084 -0.384 1
1 315 . 5 1 1 A 36 36 VAL HA H 36 4.880 4.949 -0.069 1
1 316 . 5 1 1 A 36 36 VAL CB C 36 33.474 33.977 -0.503 1
1 326 . 5 1 1 A 36 36 VAL C C 36 173.489 173.458 0.031 1
1 327 . 5 1 1 A 37 37 PRO CA C 37 62.200 62.388 -0.188 1
1 328 . 5 1 1 A 37 37 PRO HA H 37 4.646 4.697 -0.051 1
1 329 . 5 1 1 A 37 37 PRO CB C 37 31.876 31.834 0.042 1
1 335 . 5 1 1 A 37 37 PRO C C 37 177.148 177.118 0.030 1
1 339 . 5 1 1 A 38 38 ALA N N 38 124.330 124.890 -0.560 1
1 340 . 5 1 1 A 38 38 ALA H H 38 8.591 7.956 0.635 1
1 341 . 5 1 1 A 38 38 ALA CA C 38 52.606 52.266 0.340 1
1 342 . 5 1 1 A 38 38 ALA HA H 38 4.189 4.241 -0.052 1
1 343 . 5 1 1 A 38 38 ALA CB C 38 18.928 20.045 -1.117 1
1 347 . 5 1 1 A 38 38 ALA C C 38 178.418 177.680 0.738 1
1 348 . 5 1 1 A 39 39 SER N N 39 109.435 111.299 -1.864 1
1 349 . 5 1 1 A 39 39 SER H H 39 8.687 8.329 0.358 1
1 350 . 5 1 1 A 39 39 SER CA C 39 61.147 59.010 2.137 1
1 351 . 5 1 1 A 39 39 SER HA H 39 3.770 3.953 -0.183 1
1 352 . 5 1 1 A 39 39 SER CB C 39 62.322 61.897 0.425 1
1 354 . 5 1 1 A 39 39 SER C C 39 172.372 172.768 -0.396 1
1 356 . 5 1 1 A 40 40 LEU N N 40 121.668 119.932 1.736 1
1 357 . 5 1 1 A 40 40 LEU H H 40 6.981 7.735 -0.754 1
1 358 . 5 1 1 A 40 40 LEU CA C 40 51.707 51.007 0.700 1
1 359 . 5 1 1 A 40 40 LEU HA H 40 4.890 4.745 0.145 1
1 360 . 5 1 1 A 40 40 LEU CB C 40 43.441 45.408 -1.967 1
1 372 . 5 1 1 A 40 40 LEU C C 40 173.635 174.064 -0.429 1
1 374 . 5 1 1 A 41 41 PRO CA C 41 62.683 62.332 0.351 1
1 375 . 5 1 1 A 41 41 PRO HA H 41 4.490 4.641 -0.151 1
1 376 . 5 1 1 A 41 41 PRO CB C 41 31.415 30.960 0.455 1
1 382 . 5 1 1 A 41 41 PRO C C 41 175.540 175.201 0.339 1
1 386 . 5 1 1 A 42 42 VAL N N 42 124.505 122.632 1.873 1
1 387 . 5 1 1 A 42 42 VAL H H 42 8.917 7.724 1.193 1
1 388 . 5 1 1 A 42 42 VAL CA C 42 60.282 59.488 0.794 1
1 389 . 5 1 1 A 42 42 VAL HA H 42 4.408 4.657 -0.249 1
1 390 . 5 1 1 A 42 42 VAL CB C 42 34.522 34.276 0.246 1
1 400 . 5 1 1 A 42 42 VAL C C 42 171.180 173.996 -2.816 1
1 401 . 5 1 1 A 43 43 ASP N N 43 121.538 127.076 -5.538 1
1 402 . 5 1 1 A 43 43 ASP H H 43 7.549 9.070 -1.521 1
1 403 . 5 1 1 A 43 43 ASP CA C 43 51.968 52.323 -0.355 1
1 404 . 5 1 1 A 43 43 ASP HA H 43 6.324 5.818 0.506 1
1 405 . 5 1 1 A 43 43 ASP CB C 43 44.949 44.666 0.283 1
1 407 . 5 1 1 A 43 43 ASP C C 43 177.711 174.898 2.813 1
1 409 . 5 1 1 A 44 44 PHE N N 44 112.517 117.965 -5.448 1
1 410 . 5 1 1 A 44 44 PHE H H 44 9.044 7.934 1.110 1
1 411 . 5 1 1 A 44 44 PHE CA C 44 57.658 54.880 2.778 1
1 412 . 5 1 1 A 44 44 PHE HA H 44 5.069 5.433 -0.364 1
1 413 . 5 1 1 A 44 44 PHE CB C 44 41.220 41.942 -0.722 1
1 425 . 5 1 1 A 44 44 PHE C C 44 171.679 173.719 -2.040 1
1 427 . 5 1 1 A 45 45 ALA N N 45 123.935 121.121 2.814 1
1 428 . 5 1 1 A 45 45 ALA H H 45 9.468 8.982 0.486 1
1 429 . 5 1 1 A 45 45 ALA CA C 45 50.855 50.728 0.127 1
1 430 . 5 1 1 A 45 45 ALA HA H 45 5.379 5.302 0.077 1
1 431 . 5 1 1 A 45 45 ALA CB C 45 22.496 22.591 -0.095 1
1 435 . 5 1 1 A 45 45 ALA C C 45 176.715 175.966 0.749 1
1 436 . 5 1 1 A 46 46 ILE N N 46 119.530 122.685 -3.155 1
1 437 . 5 1 1 A 46 46 ILE H H 46 8.686 9.326 -0.640 1
1 438 . 5 1 1 A 46 46 ILE CA C 46 59.561 60.779 -1.218 1
1 439 . 5 1 1 A 46 46 ILE HA H 46 4.863 4.726 0.137 1
1 440 . 5 1 1 A 46 46 ILE CB C 46 41.370 38.898 2.472 1
1 452 . 5 1 1 A 46 46 ILE C C 46 174.379 174.283 0.096 1
1 454 . 5 1 1 A 47 47 ASP N N 47 127.143 128.051 -0.908 1
1 455 . 5 1 1 A 47 47 ASP H H 47 9.281 8.693 0.588 1
1 456 . 5 1 1 A 47 47 ASP CA C 47 53.297 52.433 0.864 1
1 457 . 5 1 1 A 47 47 ASP HA H 47 4.976 5.467 -0.491 1
1 458 . 5 1 1 A 47 47 ASP CB C 47 41.371 42.389 -1.018 1
1 460 . 5 1 1 A 47 47 ASP C C 47 174.962 175.138 -0.176 1
1 462 . 5 1 1 A 48 48 ALA N N 48 129.371 127.230 2.141 1
1 463 . 5 1 1 A 48 48 ALA H H 48 9.078 8.516 0.562 1
1 464 . 5 1 1 A 48 48 ALA CA C 48 50.554 50.632 -0.078 1
1 465 . 5 1 1 A 48 48 ALA HA H 48 4.641 5.014 -0.373 1
1 466 . 5 1 1 A 48 48 ALA CB C 48 19.699 20.895 -1.196 1
1 470 . 5 1 1 A 48 48 ALA C C 48 179.317 176.781 2.536 1
1 471 . 5 1 1 A 49 49 ARG N N 49 122.060 124.556 -2.496 1
1 472 . 5 1 1 A 49 49 ARG H H 49 8.590 8.963 -0.373 1
1 473 . 5 1 1 A 49 49 ARG CA C 49 60.964 57.363 3.601 1
1 474 . 5 1 1 A 49 49 ARG HA H 49 3.987 4.484 -0.497 1
1 475 . 5 1 1 A 49 49 ARG CB C 49 30.654 31.136 -0.482 1
1 483 . 5 1 1 A 49 49 ARG C C 49 178.077 177.114 0.963 1
1 487 . 5 1 1 A 50 50 ASP N N 50 116.664 116.002 0.662 1
1 488 . 5 1 1 A 50 50 ASP H H 50 8.794 8.043 0.751 1
1 489 . 5 1 1 A 50 50 ASP CA C 50 53.827 53.690 0.137 1
1 490 . 5 1 1 A 50 50 ASP HA H 50 5.040 4.966 0.074 1
1 491 . 5 1 1 A 50 50 ASP CB C 50 41.595 41.540 0.055 1
1 493 . 5 1 1 A 50 50 ASP C C 50 175.754 176.458 -0.704 1
1 495 . 5 1 1 A 51 51 ALA N N 51 121.173 121.640 -0.467 1
1 496 . 5 1 1 A 51 51 ALA H H 51 7.406 7.824 -0.418 1
1 497 . 5 1 1 A 51 51 ALA CA C 51 52.147 52.271 -0.124 1
1 498 . 5 1 1 A 51 51 ALA HA H 51 4.414 4.575 -0.161 1
1 499 . 5 1 1 A 51 51 ALA CB C 51 23.427 19.856 3.571 1
1 503 . 5 1 1 A 51 51 ALA C C 51 176.763 178.349 -1.586 1
1 504 . 5 1 1 A 52 52 GLY N N 52 108.187 106.430 1.757 1
1 505 . 5 1 1 A 52 52 GLY H H 52 8.521 7.961 0.560 1
1 506 . 5 1 1 A 52 52 GLY CA C 52 45.210 46.540 -1.330 1
1 507 . 5 1 1 A 52 52 GLY HA3 H 52 3.859 4.100 -0.241 1
1 508 . 5 1 1 A 52 52 GLY C C 52 175.060 173.466 1.594 1
1 509 . 5 1 1 A 52 52 GLY HA2 H 52 4.492 4.051 0.441 1
1 510 . 5 1 1 A 53 53 GLU N N 53 124.810 123.639 1.171 1
1 511 . 5 1 1 A 53 53 GLU H H 53 8.643 8.775 -0.132 1
1 512 . 5 1 1 A 53 53 GLU CA C 53 56.352 54.892 1.460 1
1 513 . 5 1 1 A 53 53 GLU HA H 53 4.663 5.446 -0.783 1
1 514 . 5 1 1 A 53 53 GLU CB C 53 31.164 32.851 -1.687 1
1 518 . 5 1 1 A 53 53 GLU C C 53 173.491 175.324 -1.833 1
1 521 . 5 1 1 A 54 54 GLY N N 54 111.417 111.465 -0.048 1
1 522 . 5 1 1 A 54 54 GLY H H 54 7.465 8.136 -0.671 1
1 523 . 5 1 1 A 54 54 GLY CA C 54 43.622 44.752 -1.130 1
1 524 . 5 1 1 A 54 54 GLY HA3 H 54 2.287 3.698 -1.411 1
1 525 . 5 1 1 A 54 54 GLY C C 54 170.013 171.733 -1.720 1
1 526 . 5 1 1 A 54 54 GLY HA2 H 54 3.819 3.252 0.567 1
1 527 . 5 1 1 A 55 55 LEU N N 55 117.446 123.304 -5.858 1
1 528 . 5 1 1 A 55 55 LEU H H 55 7.461 7.882 -0.421 1
1 529 . 5 1 1 A 55 55 LEU CA C 55 54.041 55.589 -1.548 1
1 530 . 5 1 1 A 55 55 LEU HA H 55 4.293 4.157 0.136 1
1 531 . 5 1 1 A 55 55 LEU CB C 55 42.832 42.269 0.563 1
1 543 . 5 1 1 A 55 55 LEU C C 55 176.872 175.511 1.361 1
1 545 . 5 1 1 A 56 56 LEU N N 56 131.840 128.556 3.284 1
1 546 . 5 1 1 A 56 56 LEU H H 56 8.791 8.507 0.284 1
1 547 . 5 1 1 A 56 56 LEU CA C 56 53.807 54.436 -0.629 1
1 548 . 5 1 1 A 56 56 LEU HA H 56 5.053 4.704 0.349 1
1 549 . 5 1 1 A 56 56 LEU CB C 56 43.113 43.653 -0.540 1
1 561 . 5 1 1 A 56 56 LEU C C 56 175.389 175.135 0.254 1
1 563 . 5 1 1 A 57 57 ALA N N 57 130.035 128.464 1.571 1
1 564 . 5 1 1 A 57 57 ALA H H 57 8.880 8.258 0.622 1
1 565 . 5 1 1 A 57 57 ALA CA C 57 51.758 50.596 1.162 1
1 566 . 5 1 1 A 57 57 ALA HA H 57 4.641 5.147 -0.506 1
1 567 . 5 1 1 A 57 57 ALA CB C 57 21.820 22.638 -0.818 1
1 571 . 5 1 1 A 57 57 ALA C C 57 174.647 175.845 -1.198 1
1 572 . 5 1 1 A 58 58 VAL N N 58 120.958 121.377 -0.419 1
1 573 . 5 1 1 A 58 58 VAL H H 58 8.443 8.814 -0.371 1
1 574 . 5 1 1 A 58 58 VAL CA C 58 60.495 61.440 -0.945 1
1 575 . 5 1 1 A 58 58 VAL HA H 58 4.988 4.591 0.397 1
1 576 . 5 1 1 A 58 58 VAL CB C 58 34.639 32.922 1.717 1
1 586 . 5 1 1 A 58 58 VAL C C 58 174.646 173.912 0.734 1
1 587 . 5 1 1 A 59 59 GLN N N 59 127.048 128.827 -1.779 1
1 588 . 5 1 1 A 59 59 GLN H H 59 9.196 9.151 0.045 1
1 589 . 5 1 1 A 59 59 GLN CA C 59 54.587 54.271 0.316 1
1 590 . 5 1 1 A 59 59 GLN HA H 59 4.706 5.053 -0.347 1
1 591 . 5 1 1 A 59 59 GLN CB C 59 31.580 31.610 -0.030 1
1 598 . 5 1 1 A 59 59 GLN C C 59 174.197 174.773 -0.576 1
1 601 . 5 1 1 A 60 60 ILE N N 60 127.617 127.258 0.359 1
1 602 . 5 1 1 A 60 60 ILE H H 60 9.299 8.953 0.346 1
1 603 . 5 1 1 A 60 60 ILE CA C 60 60.506 60.264 0.242 1
1 604 . 5 1 1 A 60 60 ILE HA H 60 5.210 4.995 0.215 1
1 605 . 5 1 1 A 60 60 ILE CB C 60 39.172 40.469 -1.297 1
1 617 . 5 1 1 A 60 60 ILE C C 60 175.608 175.477 0.131 1
1 619 . 5 1 1 A 61 61 THR N N 61 119.733 117.970 1.763 1
1 620 . 5 1 1 A 61 61 THR H H 61 8.924 8.937 -0.013 1
1 621 . 5 1 1 A 61 61 THR CA C 61 59.565 59.669 -0.104 1
1 622 . 5 1 1 A 61 61 THR HA H 61 5.173 5.329 -0.156 1
1 623 . 5 1 1 A 61 61 THR CB C 61 72.121 72.157 -0.036 1
1 629 . 5 1 1 A 61 61 THR C C 61 174.051 173.395 0.656 1
1 630 . 5 1 1 A 62 62 ASP N N 62 122.337 121.286 1.051 1
1 631 . 5 1 1 A 62 62 ASP H H 62 8.484 8.260 0.224 1
1 632 . 5 1 1 A 62 62 ASP CA C 62 52.200 51.416 0.784 1
1 633 . 5 1 1 A 62 62 ASP HA H 62 4.425 4.587 -0.162 1
1 634 . 5 1 1 A 62 62 ASP CB C 62 42.222 42.257 -0.035 1
1 636 . 5 1 1 A 62 62 ASP C C 62 179.086 177.689 1.397 1
1 638 . 5 1 1 A 63 63 GLN N N 63 118.341 117.520 0.821 1
1 639 . 5 1 1 A 63 63 GLN H H 63 8.250 8.721 -0.471 1
1 640 . 5 1 1 A 63 63 GLN CA C 63 58.406 58.206 0.200 1
1 641 . 5 1 1 A 63 63 GLN HA H 63 4.049 4.058 -0.009 1
1 642 . 5 1 1 A 63 63 GLN CB C 63 28.127 27.860 0.267 1
1 649 . 5 1 1 A 63 63 GLN C C 63 177.152 178.114 -0.962 1
1 652 . 5 1 1 A 64 64 GLU N N 64 119.134 119.645 -0.511 1
1 653 . 5 1 1 A 64 64 GLU H H 64 8.120 7.676 0.444 1
1 654 . 5 1 1 A 64 64 GLU CA C 64 55.790 57.070 -1.280 1
1 655 . 5 1 1 A 64 64 GLU HA H 64 4.423 4.374 0.049 1
1 656 . 5 1 1 A 64 64 GLU CB C 64 30.102 30.342 -0.240 1
1 660 . 5 1 1 A 64 64 GLU C C 64 176.374 176.719 -0.345 1
1 663 . 5 1 1 A 65 65 GLY N N 65 108.728 108.617 0.111 1
1 664 . 5 1 1 A 65 65 GLY H H 65 8.306 8.458 -0.152 1
1 665 . 5 1 1 A 65 65 GLY CA C 65 45.285 45.661 -0.376 1
1 666 . 5 1 1 A 65 65 GLY HA3 H 65 3.561 3.889 -0.328 1
1 667 . 5 1 1 A 65 65 GLY C C 65 174.342 174.547 -0.205 1
1 668 . 5 1 1 A 65 65 GLY HA2 H 65 4.203 3.885 0.318 1
1 669 . 5 1 1 A 66 66 LYS N N 66 123.502 118.586 4.916 1
1 670 . 5 1 1 A 66 66 LYS H H 66 8.528 7.445 1.083 1
1 671 . 5 1 1 A 66 66 LYS CA C 66 53.738 54.261 -0.523 1
1 672 . 5 1 1 A 66 66 LYS HA H 66 4.613 4.558 0.055 1
1 673 . 5 1 1 A 66 66 LYS CB C 66 31.167 33.044 -1.877 1
1 681 . 5 1 1 A 66 66 LYS C C 66 174.752 174.869 -0.117 1
1 686 . 5 1 1 A 67 67 PRO CA C 67 62.433 62.794 -0.361 1
1 687 . 5 1 1 A 67 67 PRO HA H 67 5.062 4.728 0.334 1
1 688 . 5 1 1 A 67 67 PRO CB C 67 32.725 32.052 0.673 1
1 694 . 5 1 1 A 67 67 PRO C C 67 177.270 176.178 1.092 1
1 698 . 5 1 1 A 68 68 LYS N N 68 121.461 121.666 -0.205 1
1 699 . 5 1 1 A 68 68 LYS H H 68 8.419 8.206 0.213 1
1 700 . 5 1 1 A 68 68 LYS CA C 68 52.023 54.752 -2.729 1
1 701 . 5 1 1 A 68 68 LYS HA H 68 4.797 4.929 -0.132 1
1 702 . 5 1 1 A 68 68 LYS CB C 68 32.611 35.033 -2.422 1
1 710 . 5 1 1 A 68 68 LYS C C 68 175.389 175.937 -0.548 1
1 715 . 5 1 1 A 69 69 ARG N N 69 124.040 123.457 0.583 1
1 716 . 5 1 1 A 69 69 ARG H H 69 8.683 8.719 -0.036 1
1 717 . 5 1 1 A 69 69 ARG CA C 69 57.045 56.930 0.115 1
1 718 . 5 1 1 A 69 69 ARG HA H 69 4.221 4.516 -0.295 1
1 719 . 5 1 1 A 69 69 ARG CB C 69 30.712 30.625 0.087 1
1 725 . 5 1 1 A 69 69 ARG C C 69 174.877 175.484 -0.607 1
1 729 . 5 1 1 A 70 70 ALA N N 70 127.074 127.129 -0.055 1
1 730 . 5 1 1 A 70 70 ALA H H 70 8.421 8.675 -0.254 1
1 731 . 5 1 1 A 70 70 ALA CA C 70 50.360 50.439 -0.079 1
1 732 . 5 1 1 A 70 70 ALA HA H 70 4.859 5.145 -0.286 1
1 733 . 5 1 1 A 70 70 ALA CB C 70 20.569 23.448 -2.879 1
1 737 . 5 1 1 A 70 70 ALA C C 70 176.313 175.720 0.593 1
1 738 . 5 1 1 A 71 71 ILE N N 71 124.496 120.089 4.407 1
1 739 . 5 1 1 A 71 71 ILE H H 71 8.943 9.022 -0.079 1
1 740 . 5 1 1 A 71 71 ILE CA C 71 60.870 60.146 0.724 1
1 741 . 5 1 1 A 71 71 ILE HA H 71 4.195 4.713 -0.518 1
1 742 . 5 1 1 A 71 71 ILE CB C 71 38.457 39.626 -1.169 1
1 754 . 5 1 1 A 71 71 ILE C C 71 175.027 174.712 0.315 1
1 756 . 5 1 1 A 72 72 VAL N N 72 128.410 128.112 0.298 1
1 757 . 5 1 1 A 72 72 VAL H H 72 8.714 8.965 -0.251 1
1 758 . 5 1 1 A 72 72 VAL CA C 72 61.867 59.879 1.988 1
1 759 . 5 1 1 A 72 72 VAL HA H 72 4.478 4.844 -0.366 1
1 760 . 5 1 1 A 72 72 VAL CB C 72 32.745 33.882 -1.137 1
1 770 . 5 1 1 A 72 72 VAL C C 72 175.279 173.820 1.459 1
1 771 . 5 1 1 A 73 73 HIS N N 73 129.084 129.944 -0.860 1
1 772 . 5 1 1 A 73 73 HIS H H 73 9.783 9.418 0.365 1
1 773 . 5 1 1 A 73 73 HIS CA C 73 55.366 53.956 1.410 1
1 774 . 5 1 1 A 73 73 HIS HA H 73 4.849 5.183 -0.334 1
1 775 . 5 1 1 A 73 73 HIS CB C 73 31.465 32.553 -1.088 1
1 781 . 5 1 1 A 73 73 HIS C C 73 173.491 173.340 0.151 1
1 783 . 5 1 1 A 74 74 ASP N N 74 127.118 125.911 1.207 1
1 784 . 5 1 1 A 74 74 ASP H H 74 8.541 8.744 -0.203 1
1 785 . 5 1 1 A 74 74 ASP CA C 74 53.048 52.599 0.449 1
1 786 . 5 1 1 A 74 74 ASP HA H 74 4.476 5.425 -0.949 1
1 787 . 5 1 1 A 74 74 ASP CB C 74 41.554 42.390 -0.836 1
1 789 . 5 1 1 A 74 74 ASP C C 74 175.936 176.170 -0.234 1
1 791 . 5 1 1 A 75 75 ASN N N 75 124.002 122.075 1.927 1
1 792 . 5 1 1 A 75 75 ASN H H 75 7.827 8.821 -0.994 1
1 793 . 5 1 1 A 75 75 ASN CA C 75 54.517 53.246 1.271 1
1 794 . 5 1 1 A 75 75 ASN HA H 75 4.572 4.787 -0.215 1
1 795 . 5 1 1 A 75 75 ASN CB C 75 38.091 39.485 -1.394 1
1 800 . 5 1 1 A 75 75 ASN C C 75 175.352 174.817 0.535 1
1 802 . 5 1 1 A 76 76 LYS N N 76 114.689 115.295 -0.606 1
1 803 . 5 1 1 A 76 76 LYS H H 76 9.246 7.776 1.470 1
1 804 . 5 1 1 A 76 76 LYS CA C 76 57.428 57.245 0.183 1
1 805 . 5 1 1 A 76 76 LYS HA H 76 3.882 3.970 -0.088 1
1 806 . 5 1 1 A 76 76 LYS CB C 76 28.223 29.110 -0.887 1
1 814 . 5 1 1 A 76 76 LYS C C 76 174.975 175.338 -0.363 1
1 819 . 5 1 1 A 77 77 ASP N N 77 117.462 118.482 -1.020 1
1 820 . 5 1 1 A 77 77 ASP H H 77 7.831 7.968 -0.137 1
1 821 . 5 1 1 A 77 77 ASP CA C 77 52.168 53.778 -1.610 1
1 822 . 5 1 1 A 77 77 ASP HA H 77 4.706 4.831 -0.125 1
1 823 . 5 1 1 A 77 77 ASP CB C 77 41.224 42.198 -0.974 1
1 825 . 5 1 1 A 77 77 ASP C C 77 176.739 176.377 0.362 1
1 827 . 5 1 1 A 78 78 GLY N N 78 109.485 107.185 2.300 1
1 828 . 5 1 1 A 78 78 GLY H H 78 8.658 8.189 0.469 1
1 829 . 5 1 1 A 78 78 GLY CA C 78 45.568 44.960 0.608 1
1 830 . 5 1 1 A 78 78 GLY HA3 H 78 3.698 3.994 -0.296 1
1 831 . 5 1 1 A 78 78 GLY C C 78 172.263 173.405 -1.142 1
1 832 . 5 1 1 A 78 78 GLY HA2 H 78 4.323 3.969 0.354 1
1 833 . 5 1 1 A 79 79 THR N N 79 109.462 110.028 -0.566 1
1 834 . 5 1 1 A 79 79 THR H H 79 8.057 7.163 0.894 1
1 835 . 5 1 1 A 79 79 THR CA C 79 59.989 60.141 -0.152 1
1 836 . 5 1 1 A 79 79 THR HA H 79 5.566 4.898 0.668 1
1 837 . 5 1 1 A 79 79 THR CB C 79 72.712 72.477 0.235 1
1 843 . 5 1 1 A 79 79 THR C C 79 173.868 171.608 2.260 1
1 844 . 5 1 1 A 80 80 TYR N N 80 116.428 118.890 -2.462 1
1 845 . 5 1 1 A 80 80 TYR H H 80 9.085 8.688 0.397 1
1 846 . 5 1 1 A 80 80 TYR CA C 80 56.533 56.365 0.168 1
1 847 . 5 1 1 A 80 80 TYR HA H 80 5.372 5.105 0.267 1
1 848 . 5 1 1 A 80 80 TYR CB C 80 42.831 42.493 0.338 1
1 858 . 5 1 1 A 80 80 TYR C C 80 175.327 174.320 1.007 1
1 860 . 5 1 1 A 81 81 ALA N N 81 126.743 126.386 0.357 1
1 861 . 5 1 1 A 81 81 ALA H H 81 9.302 8.672 0.630 1
1 862 . 5 1 1 A 81 81 ALA CA C 81 51.121 49.648 1.473 1
1 863 . 5 1 1 A 81 81 ALA HA H 81 5.149 5.582 -0.433 1
1 864 . 5 1 1 A 81 81 ALA CB C 81 22.111 22.960 -0.849 1
1 868 . 5 1 1 A 81 81 ALA C C 81 175.505 175.879 -0.374 1
1 869 . 5 1 1 A 82 82 VAL N N 82 124.472 120.223 4.249 1
1 870 . 5 1 1 A 82 82 VAL H H 82 8.940 7.880 1.060 1
1 871 . 5 1 1 A 82 82 VAL CA C 82 60.264 61.045 -0.781 1
1 872 . 5 1 1 A 82 82 VAL HA H 82 5.039 4.656 0.383 1
1 873 . 5 1 1 A 82 82 VAL CB C 82 33.236 34.644 -1.408 1
1 883 . 5 1 1 A 82 82 VAL C C 82 174.517 174.365 0.152 1
1 884 . 5 1 1 A 83 83 THR N N 83 121.500 122.879 -1.379 1
1 885 . 5 1 1 A 83 83 THR H H 83 8.717 8.705 0.012 1
1 886 . 5 1 1 A 83 83 THR CA C 83 61.075 62.377 -1.302 1
1 887 . 5 1 1 A 83 83 THR HA H 83 5.497 5.153 0.344 1
1 888 . 5 1 1 A 83 83 THR CB C 83 72.153 70.546 1.607 1
1 894 . 5 1 1 A 83 83 THR C C 83 173.515 173.636 -0.121 1
1 895 . 5 1 1 A 84 84 TYR N N 84 122.841 121.426 1.415 1
1 896 . 5 1 1 A 84 84 TYR H H 84 9.014 8.829 0.185 1
1 897 . 5 1 1 A 84 84 TYR CA C 84 55.985 55.792 0.193 1
1 898 . 5 1 1 A 84 84 TYR HA H 84 4.979 5.385 -0.406 1
1 899 . 5 1 1 A 84 84 TYR CB C 84 41.967 41.732 0.235 1
1 909 . 5 1 1 A 84 84 TYR C C 84 171.873 172.874 -1.001 1
1 911 . 5 1 1 A 85 85 ILE N N 85 118.254 123.283 -5.029 1
1 912 . 5 1 1 A 85 85 ILE H H 85 8.805 8.921 -0.116 1
1 913 . 5 1 1 A 85 85 ILE CA C 85 57.883 58.101 -0.218 1
1 914 . 5 1 1 A 85 85 ILE HA H 85 4.550 4.522 0.028 1
1 915 . 5 1 1 A 85 85 ILE CB C 85 40.179 39.049 1.130 1
1 927 . 5 1 1 A 85 85 ILE C C 85 174.339 174.887 -0.548 1
1 929 . 5 1 1 A 86 86 PRO CA C 86 61.414 62.156 -0.742 1
1 930 . 5 1 1 A 86 86 PRO HA H 86 4.436 4.653 -0.217 1
1 931 . 5 1 1 A 86 86 PRO CB C 86 30.107 29.575 0.532 1
1 937 . 5 1 1 A 86 86 PRO C C 86 175.126 176.767 -1.641 1
1 941 . 5 1 1 A 87 87 ASP N N 87 123.447 123.213 0.234 1
1 942 . 5 1 1 A 87 87 ASP H H 87 8.501 8.571 -0.070 1
1 943 . 5 1 1 A 87 87 ASP CA C 87 55.668 57.787 -2.119 1
1 944 . 5 1 1 A 87 87 ASP HA H 87 4.263 4.468 -0.205 1
1 945 . 5 1 1 A 87 87 ASP CB C 87 40.930 40.963 -0.033 1
1 947 . 5 1 1 A 87 87 ASP C C 87 175.182 177.305 -2.123 1
1 949 . 5 1 1 A 88 88 LYS N N 88 116.947 117.935 -0.988 1
1 950 . 5 1 1 A 88 88 LYS H H 88 7.683 7.987 -0.304 1
1 951 . 5 1 1 A 88 88 LYS CA C 88 54.995 56.163 -1.168 1
1 952 . 5 1 1 A 88 88 LYS HA H 88 4.588 4.464 0.124 1
1 953 . 5 1 1 A 88 88 LYS CB C 88 34.821 33.802 1.019 1
1 961 . 5 1 1 A 88 88 LYS C C 88 177.529 175.987 1.542 1
1 966 . 5 1 1 A 89 89 THR N N 89 114.134 112.887 1.247 1
1 967 . 5 1 1 A 89 89 THR H H 89 8.588 8.655 -0.067 1
1 968 . 5 1 1 A 89 89 THR CA C 89 62.828 59.869 2.959 1
1 969 . 5 1 1 A 89 89 THR HA H 89 4.083 5.352 -1.269 1
1 970 . 5 1 1 A 89 89 THR CB C 89 69.590 71.464 -1.874 1
1 976 . 5 1 1 A 89 89 THR C C 89 174.269 173.328 0.941 1
1 977 . 5 1 1 A 90 90 GLY N N 90 109.440 108.503 0.937 1
1 978 . 5 1 1 A 90 90 GLY H H 90 8.444 8.369 0.075 1
1 979 . 5 1 1 A 90 90 GLY CA C 90 44.648 45.609 -0.961 1
1 980 . 5 1 1 A 90 90 GLY HA3 H 90 4.467 4.235 0.232 1
1 981 . 5 1 1 A 90 90 GLY C C 90 172.469 172.095 0.374 1
1 982 . 5 1 1 A 90 90 GLY HA2 H 90 3.908 4.183 -0.275 1
1 983 . 5 1 1 A 91 91 ARG N N 91 120.781 121.760 -0.979 1
1 984 . 5 1 1 A 91 91 ARG H H 91 8.271 8.410 -0.139 1
1 985 . 5 1 1 A 91 91 ARG CA C 91 56.178 54.379 1.799 1
1 986 . 5 1 1 A 91 91 ARG HA H 91 4.951 5.114 -0.163 1
1 987 . 5 1 1 A 91 91 ARG CB C 91 31.986 33.556 -1.570 1
1 993 . 5 1 1 A 91 91 ARG C C 91 175.711 174.480 1.231 1
1 997 . 5 1 1 A 92 92 TYR N N 92 122.381 120.519 1.862 1
1 998 . 5 1 1 A 92 92 TYR H H 92 9.312 8.946 0.366 1
1 999 . 5 1 1 A 92 92 TYR CA C 92 56.886 56.546 0.340 1
1 1000 . 5 1 1 A 92 92 TYR HA H 92 4.960 5.263 -0.303 1
1 1001 . 5 1 1 A 92 92 TYR CB C 92 41.223 41.673 -0.450 1
1 1011 . 5 1 1 A 92 92 TYR C C 92 174.902 174.116 0.786 1
1 1013 . 5 1 1 A 93 93 MET N N 93 121.210 124.794 -3.584 1
1 1014 . 5 1 1 A 93 93 MET H H 93 8.819 8.999 -0.180 1
1 1015 . 5 1 1 A 93 93 MET CA C 93 53.745 54.152 -0.407 1
1 1016 . 5 1 1 A 93 93 MET HA H 93 5.346 5.473 -0.127 1
1 1017 . 5 1 1 A 93 93 MET CB C 93 34.220 35.721 -1.501 1
1 1025 . 5 1 1 A 93 93 MET C C 93 175.365 174.741 0.624 1
1 1028 . 5 1 1 A 94 94 ILE N N 94 125.747 126.796 -1.049 1
1 1029 . 5 1 1 A 94 94 ILE H H 94 9.372 8.741 0.631 1
1 1030 . 5 1 1 A 94 94 ILE CA C 94 60.685 59.711 0.974 1
1 1031 . 5 1 1 A 94 94 ILE HA H 94 4.606 5.141 -0.535 1
1 1032 . 5 1 1 A 94 94 ILE CB C 94 39.188 40.929 -1.741 1
1 1044 . 5 1 1 A 94 94 ILE C C 94 174.987 174.931 0.056 1
1 1046 . 5 1 1 A 95 95 GLY N N 95 116.553 115.082 1.471 1
1 1047 . 5 1 1 A 95 95 GLY H H 95 9.509 8.938 0.571 1
1 1048 . 5 1 1 A 95 95 GLY CA C 95 44.507 45.261 -0.754 1
1 1049 . 5 1 1 A 95 95 GLY HA3 H 95 3.605 4.186 -0.581 1
1 1050 . 5 1 1 A 95 95 GLY C C 95 173.175 172.301 0.874 1
1 1051 . 5 1 1 A 95 95 GLY HA2 H 95 4.606 4.160 0.446 1
1 1052 . 5 1 1 A 96 96 VAL N N 96 127.036 127.841 -0.805 1
1 1053 . 5 1 1 A 96 96 VAL H H 96 9.299 8.796 0.503 1
1 1054 . 5 1 1 A 96 96 VAL CA C 96 61.308 62.731 -1.423 1
1 1055 . 5 1 1 A 96 96 VAL HA H 96 4.889 4.449 0.440 1
1 1056 . 5 1 1 A 96 96 VAL CB C 96 34.145 31.925 2.220 1
1 1066 . 5 1 1 A 96 96 VAL C C 96 174.354 175.444 -1.090 1
1 1067 . 5 1 1 A 97 97 THR N N 97 115.219 117.965 -2.746 1
1 1068 . 5 1 1 A 97 97 THR H H 97 9.018 8.346 0.672 1
1 1069 . 5 1 1 A 97 97 THR CA C 97 57.826 59.489 -1.663 1
1 1070 . 5 1 1 A 97 97 THR HA H 97 5.265 5.413 -0.148 1
1 1071 . 5 1 1 A 97 97 THR CB C 97 72.753 72.153 0.600 1
1 1077 . 5 1 1 A 97 97 THR C C 97 173.175 172.969 0.206 1
1 1078 . 5 1 1 A 98 98 TYR N N 98 122.768 122.846 -0.078 1
1 1079 . 5 1 1 A 98 98 TYR H H 98 9.149 9.471 -0.322 1
1 1080 . 5 1 1 A 98 98 TYR CA C 98 57.488 57.439 0.049 1
1 1081 . 5 1 1 A 98 98 TYR HA H 98 5.077 4.883 0.194 1
1 1082 . 5 1 1 A 98 98 TYR CB C 98 43.122 41.624 1.498 1
1 1092 . 5 1 1 A 98 98 TYR C C 98 175.949 175.548 0.401 1
1 1094 . 5 1 1 A 99 99 GLY N N 99 113.994 115.130 -1.136 1
1 1095 . 5 1 1 A 99 99 GLY H H 99 8.402 8.856 -0.454 1
1 1096 . 5 1 1 A 99 99 GLY CA C 99 45.010 46.477 -1.467 1
1 1097 . 5 1 1 A 99 99 GLY HA3 H 99 2.623 3.393 -0.770 1
1 1098 . 5 1 1 A 99 99 GLY C C 99 174.197 175.326 -1.129 1
1 1099 . 5 1 1 A 99 99 GLY HA2 H 99 3.220 3.055 0.165 1
1 1100 . 5 1 1 A 100 100 GLY N N 100 103.115 106.357 -3.242 1
1 1101 . 5 1 1 A 100 100 GLY H H 100 8.288 8.611 -0.323 1
1 1102 . 5 1 1 A 100 100 GLY CA C 100 44.170 45.937 -1.767 1
1 1103 . 5 1 1 A 100 100 GLY HA3 H 100 4.265 3.896 0.369 1
1 1104 . 5 1 1 A 100 100 GLY C C 100 173.054 173.442 -0.388 1
1 1105 . 5 1 1 A 100 100 GLY HA2 H 100 3.284 3.883 -0.599 1
1 1106 . 5 1 1 A 101 101 ASP N N 101 120.566 119.772 0.794 1
1 1107 . 5 1 1 A 101 101 ASP H H 101 7.245 7.953 -0.708 1
1 1108 . 5 1 1 A 101 101 ASP CA C 101 52.908 53.271 -0.363 1
1 1109 . 5 1 1 A 101 101 ASP HA H 101 5.012 5.039 -0.027 1
1 1110 . 5 1 1 A 101 101 ASP CB C 101 42.831 43.887 -1.056 1
1 1112 . 5 1 1 A 101 101 ASP C C 101 175.182 174.992 0.190 1
1 1114 . 5 1 1 A 102 102 ASP N N 102 122.668 125.233 -2.565 1
1 1115 . 5 1 1 A 102 102 ASP H H 102 8.597 9.038 -0.441 1
1 1116 . 5 1 1 A 102 102 ASP CA C 102 56.233 53.934 2.299 1
1 1117 . 5 1 1 A 102 102 ASP HA H 102 4.667 5.112 -0.445 1
1 1118 . 5 1 1 A 102 102 ASP CB C 102 42.373 41.439 0.934 1
1 1120 . 5 1 1 A 102 102 ASP C C 102 176.970 175.879 1.091 1
1 1122 . 5 1 1 A 103 103 ILE N N 103 117.672 119.382 -1.710 1
1 1123 . 5 1 1 A 103 103 ILE H H 103 7.887 8.014 -0.127 1
1 1124 . 5 1 1 A 103 103 ILE CA C 103 61.025 60.161 0.864 1
1 1125 . 5 1 1 A 103 103 ILE HA H 103 4.526 4.413 0.113 1
1 1126 . 5 1 1 A 103 103 ILE CB C 103 35.534 37.682 -2.148 1
1 1138 . 5 1 1 A 103 103 ILE C C 103 173.902 176.502 -2.600 1
1 1140 . 5 1 1 A 104 104 PRO CA C 104 66.456 64.217 2.239 1
1 1141 . 5 1 1 A 104 104 PRO HA H 104 4.177 4.547 -0.370 1
1 1142 . 5 1 1 A 104 104 PRO CB C 104 31.709 31.602 0.107 1
1 1151 . 5 1 1 A 105 105 LEU N N 105 115.386 117.797 -2.411 1
1 1152 . 5 1 1 A 105 105 LEU H H 105 8.464 7.981 0.483 1
1 1153 . 5 1 1 A 105 105 LEU CA C 105 55.294 55.853 -0.559 1
1 1154 . 5 1 1 A 105 105 LEU HA H 105 3.845 4.268 -0.423 1
1 1155 . 5 1 1 A 105 105 LEU CB C 105 39.148 42.652 -3.504 1
1 1168 . 5 1 1 A 106 106 SER N N 106 111.669 114.024 -2.355 1
1 1169 . 5 1 1 A 106 106 SER H H 106 7.338 7.320 0.018 1
1 1170 . 5 1 1 A 106 106 SER CA C 106 54.750 56.785 -2.035 1
1 1171 . 5 1 1 A 106 106 SER HA H 106 4.347 4.776 -0.429 1
1 1172 . 5 1 1 A 106 106 SER CB C 106 64.133 63.673 0.460 1
1 1175 . 5 1 1 A 107 107 PRO CA C 107 62.344 62.461 -0.117 1
1 1176 . 5 1 1 A 107 107 PRO HA H 107 5.323 4.830 0.493 1
1 1177 . 5 1 1 A 107 107 PRO CB C 107 33.977 32.893 1.084 1
1 1183 . 5 1 1 A 107 107 PRO C C 107 176.003 174.889 1.114 1
1 1187 . 5 1 1 A 108 108 TYR N N 108 122.832 119.346 3.486 1
1 1188 . 5 1 1 A 108 108 TYR H H 108 9.294 8.273 1.021 1
1 1189 . 5 1 1 A 108 108 TYR CA C 108 57.629 56.715 0.914 1
1 1190 . 5 1 1 A 108 108 TYR HA H 108 4.428 5.011 -0.583 1
1 1191 . 5 1 1 A 108 108 TYR CB C 108 40.091 41.629 -1.538 1
1 1201 . 5 1 1 A 108 108 TYR C C 108 175.851 175.042 0.809 1
1 1203 . 5 1 1 A 109 109 ARG N N 109 122.941 122.826 0.115 1
1 1204 . 5 1 1 A 109 109 ARG H H 109 8.746 8.883 -0.137 1
1 1205 . 5 1 1 A 109 109 ARG CA C 109 55.259 55.979 -0.720 1
1 1206 . 5 1 1 A 109 109 ARG HA H 109 5.189 4.786 0.403 1
1 1207 . 5 1 1 A 109 109 ARG CB C 109 30.879 31.166 -0.287 1
1 1213 . 5 1 1 A 109 109 ARG C C 109 175.522 175.556 -0.034 1
1 1217 . 5 1 1 A 110 110 ILE N N 110 125.109 124.472 0.637 1
1 1218 . 5 1 1 A 110 110 ILE H H 110 8.742 8.434 0.308 1
1 1219 . 5 1 1 A 110 110 ILE CA C 110 57.577 59.443 -1.866 1
1 1220 . 5 1 1 A 110 110 ILE HA H 110 4.758 4.906 -0.148 1
1 1221 . 5 1 1 A 110 110 ILE CB C 110 41.138 42.568 -1.430 1
1 1233 . 5 1 1 A 110 110 ILE C C 110 175.121 174.907 0.214 1
1 1235 . 5 1 1 A 111 111 ARG N N 111 125.357 124.618 0.739 1
1 1236 . 5 1 1 A 111 111 ARG H H 111 8.776 8.824 -0.048 1
1 1237 . 5 1 1 A 111 111 ARG CA C 111 54.730 54.125 0.605 1
1 1238 . 5 1 1 A 111 111 ARG HA H 111 5.053 5.275 -0.222 1
1 1239 . 5 1 1 A 111 111 ARG CB C 111 32.685 33.768 -1.083 1
1 1245 . 5 1 1 A 111 111 ARG C C 111 174.163 175.103 -0.940 1
1 1249 . 5 1 1 A 112 112 ALA N N 112 127.119 127.430 -0.311 1
1 1250 . 5 1 1 A 112 112 ALA H H 112 9.208 8.551 0.657 1
1 1251 . 5 1 1 A 112 112 ALA CA C 112 49.945 51.105 -1.160 1
1 1252 . 5 1 1 A 112 112 ALA HA H 112 5.851 5.085 0.766 1
1 1253 . 5 1 1 A 112 112 ALA CB C 112 21.329 20.477 0.852 1
1 1257 . 5 1 1 A 112 112 ALA C C 112 178.853 176.705 2.148 1
1 1258 . 5 1 1 A 113 113 THR N N 113 116.033 115.872 0.161 1
1 1259 . 5 1 1 A 113 113 THR H H 113 8.995 8.984 0.011 1
1 1260 . 5 1 1 A 113 113 THR CA C 113 60.312 60.853 -0.541 1
1 1261 . 5 1 1 A 113 113 THR HA H 113 4.695 4.981 -0.286 1
1 1262 . 5 1 1 A 113 113 THR CB C 113 71.251 70.165 1.086 1
1 1268 . 5 1 1 A 113 113 THR C C 113 173.710 173.741 -0.031 1
1 1269 . 5 1 1 A 114 114 GLN N N 114 122.122 125.253 -3.131 1
1 1270 . 5 1 1 A 114 114 GLN H H 114 8.753 8.610 0.143 1
1 1271 . 5 1 1 A 114 114 GLN CA C 114 55.817 55.482 0.335 1
1 1272 . 5 1 1 A 114 114 GLN HA H 114 4.570 4.674 -0.104 1
1 1273 . 5 1 1 A 114 114 GLN CB C 114 30.106 29.271 0.835 1
1 1280 . 5 1 1 A 114 114 GLN C C 114 176.106 174.975 1.131 1
1 1283 . 5 1 1 A 115 115 THR N N 115 117.345 115.673 1.672 1
1 1284 . 5 1 1 A 115 115 THR H H 115 8.493 8.610 -0.117 1
1 1285 . 5 1 1 A 115 115 THR CA C 115 62.328 60.395 1.933 1
1 1286 . 5 1 1 A 115 115 THR HA H 115 4.351 4.948 -0.597 1
1 1287 . 5 1 1 A 115 115 THR CB C 115 69.874 70.631 -0.757 1
1 1293 . 5 1 1 A 115 115 THR C C 115 175.158 174.120 1.038 1
1 1294 . 5 1 1 A 116 116 GLY N N 116 111.927 114.278 -2.351 1
1 1295 . 5 1 1 A 116 116 GLY H H 116 8.559 8.802 -0.243 1
1 1296 . 5 1 1 A 116 116 GLY CA C 116 45.315 46.874 -1.559 1
1 1297 . 5 1 1 A 116 116 GLY HA3 H 116 3.934 3.944 -0.010 1
1 1298 . 5 1 1 A 116 116 GLY C C 116 173.820 174.828 -1.008 1
1 1299 . 5 1 1 A 116 116 GLY HA2 H 116 4.030 3.943 0.087 1
1 1300 . 5 1 1 A 117 117 ASP N N 117 120.643 120.671 -0.028 1
1 1301 . 5 1 1 A 117 117 ASP H H 117 8.208 8.094 0.114 1
1 1302 . 5 1 1 A 117 117 ASP CA C 117 54.393 57.327 -2.934 1
1 1303 . 5 1 1 A 117 117 ASP HA H 117 4.615 4.284 0.331 1
1 1304 . 5 1 1 A 117 117 ASP CB C 117 41.388 41.196 0.192 1
1 1306 . 5 1 1 A 117 117 ASP C C 117 175.973 177.271 -1.298 1
1 1308 . 5 1 1 A 118 118 ALA N N 118 124.934 120.950 3.984 1
1 1309 . 5 1 1 A 118 118 ALA H H 118 8.312 7.746 0.566 1
1 1310 . 5 1 1 A 118 118 ALA CA C 118 52.447 52.444 0.003 1
1 1311 . 5 1 1 A 118 118 ALA HA H 118 4.415 4.433 -0.018 1
1 1312 . 5 1 1 A 118 118 ALA CB C 118 19.339 19.289 0.050 1
1 1316 . 5 1 1 A 118 118 ALA C C 118 176.848 177.545 -0.697 1
1 1 . 6 1 1 A 9 9 SER HA H 9 4.733 5.113 -0.380 1
1 2 . 6 1 1 A 10 10 PRO CA C 10 63.335 64.200 -0.865 1
1 3 . 6 1 1 A 10 10 PRO HA H 10 4.399 4.466 -0.067 1
1 4 . 6 1 1 A 10 10 PRO CB C 10 31.938 32.043 -0.105 1
1 10 . 6 1 1 A 10 10 PRO C C 10 176.442 177.701 -1.259 1
1 14 . 6 1 1 A 11 11 PHE N N 11 119.801 119.593 0.208 1
1 15 . 6 1 1 A 11 11 PHE H H 11 8.036 7.791 0.245 1
1 16 . 6 1 1 A 11 11 PHE CA C 11 57.505 58.816 -1.311 1
1 17 . 6 1 1 A 11 11 PHE HA H 11 4.606 4.199 0.407 1
1 18 . 6 1 1 A 11 11 PHE CB C 11 39.592 37.217 2.375 1
1 30 . 6 1 1 A 11 11 PHE C C 11 175.401 175.891 -0.490 1
1 32 . 6 1 1 A 12 12 LYS N N 12 123.563 119.860 3.703 1
1 33 . 6 1 1 A 12 12 LYS H H 12 8.112 7.753 0.359 1
1 34 . 6 1 1 A 12 12 LYS CA C 12 56.175 55.198 0.977 1
1 35 . 6 1 1 A 12 12 LYS HA H 12 4.322 4.431 -0.109 1
1 36 . 6 1 1 A 12 12 LYS CB C 12 33.352 31.103 2.249 1
1 44 . 6 1 1 A 12 12 LYS C C 12 175.802 175.307 0.495 1
1 49 . 6 1 1 A 13 13 VAL N N 13 122.071 117.358 4.713 1
1 50 . 6 1 1 A 13 13 VAL H H 13 8.080 7.162 0.918 1
1 51 . 6 1 1 A 13 13 VAL CA C 13 62.280 60.895 1.385 1
1 52 . 6 1 1 A 13 13 VAL HA H 13 4.036 4.579 -0.543 1
1 53 . 6 1 1 A 13 13 VAL CB C 13 32.895 33.073 -0.178 1
1 63 . 6 1 1 A 13 13 VAL C C 13 175.814 174.914 0.900 1
1 64 . 6 1 1 A 14 14 LYS N N 14 125.874 125.417 0.457 1
1 65 . 6 1 1 A 14 14 LYS H H 14 8.392 8.750 -0.358 1
1 66 . 6 1 1 A 14 14 LYS CA C 14 56.250 55.449 0.801 1
1 67 . 6 1 1 A 14 14 LYS HA H 14 4.322 4.604 -0.282 1
1 68 . 6 1 1 A 14 14 LYS CB C 14 33.193 31.567 1.626 1
1 73 . 6 1 1 A 14 14 LYS C C 14 175.973 175.399 0.574 1
1 75 . 6 1 1 A 15 15 VAL N N 15 123.129 118.300 4.829 1
1 76 . 6 1 1 A 15 15 VAL H H 15 8.204 8.514 -0.310 1
1 77 . 6 1 1 A 15 15 VAL CA C 15 62.033 58.928 3.105 1
1 78 . 6 1 1 A 15 15 VAL HA H 15 4.100 4.887 -0.787 1
1 79 . 6 1 1 A 15 15 VAL CB C 15 32.858 35.312 -2.454 1
1 89 . 6 1 1 A 15 15 VAL C C 15 175.717 175.185 0.532 1
1 90 . 6 1 1 A 16 16 LEU N N 16 127.971 125.138 2.833 1
1 91 . 6 1 1 A 16 16 LEU H H 16 8.378 8.597 -0.219 1
1 92 . 6 1 1 A 16 16 LEU CA C 16 52.885 53.775 -0.890 1
1 93 . 6 1 1 A 16 16 LEU HA H 16 4.624 4.523 0.101 1
1 94 . 6 1 1 A 16 16 LEU CB C 16 41.706 41.390 0.316 1
1 106 . 6 1 1 A 16 16 LEU C C 16 175.092 174.775 0.317 1
1 108 . 6 1 1 A 17 17 PRO CA C 17 62.704 62.318 0.386 1
1 109 . 6 1 1 A 17 17 PRO HA H 17 4.556 4.598 -0.042 1
1 110 . 6 1 1 A 17 17 PRO CB C 17 32.293 32.607 -0.314 1
1 116 . 6 1 1 A 17 17 PRO C C 17 177.319 177.521 -0.202 1
1 120 . 6 1 1 A 18 18 THR N N 18 112.726 115.121 -2.395 1
1 121 . 6 1 1 A 18 18 THR H H 18 8.497 8.584 -0.087 1
1 122 . 6 1 1 A 18 18 THR CA C 18 62.335 64.983 -2.648 1
1 123 . 6 1 1 A 18 18 THR HA H 18 4.352 4.079 0.273 1
1 124 . 6 1 1 A 18 18 THR CB C 18 69.700 68.766 0.934 1
1 130 . 6 1 1 A 18 18 THR C C 18 173.418 174.919 -1.501 1
1 131 . 6 1 1 A 19 19 TYR N N 19 118.883 120.113 -1.230 1
1 132 . 6 1 1 A 19 19 TYR H H 19 7.244 7.673 -0.429 1
1 133 . 6 1 1 A 19 19 TYR CA C 19 55.270 57.617 -2.347 1
1 134 . 6 1 1 A 19 19 TYR HA H 19 5.404 5.003 0.401 1
1 135 . 6 1 1 A 19 19 TYR CB C 19 40.974 40.302 0.672 1
1 145 . 6 1 1 A 19 19 TYR C C 19 174.318 174.675 -0.357 1
1 147 . 6 1 1 A 20 20 ASP N N 20 118.193 119.371 -1.178 1
1 148 . 6 1 1 A 20 20 ASP H H 20 8.686 9.593 -0.907 1
1 149 . 6 1 1 A 20 20 ASP CA C 20 53.226 53.505 -0.279 1
1 150 . 6 1 1 A 20 20 ASP HA H 20 4.539 5.042 -0.503 1
1 151 . 6 1 1 A 20 20 ASP CB C 20 41.490 44.815 -3.325 1
1 153 . 6 1 1 A 20 20 ASP C C 20 176.349 175.617 0.732 1
1 155 . 6 1 1 A 21 21 ALA N N 21 127.255 125.967 1.288 1
1 156 . 6 1 1 A 21 21 ALA H H 21 9.404 9.141 0.263 1
1 157 . 6 1 1 A 21 21 ALA CA C 21 55.157 54.974 0.183 1
1 158 . 6 1 1 A 21 21 ALA HA H 21 4.204 4.173 0.031 1
1 159 . 6 1 1 A 21 21 ALA CB C 21 19.890 18.550 1.340 1
1 163 . 6 1 1 A 21 21 ALA C C 21 178.113 179.928 -1.815 1
1 164 . 6 1 1 A 22 22 SER N N 22 110.959 112.900 -1.941 1
1 165 . 6 1 1 A 22 22 SER H H 22 8.397 8.262 0.135 1
1 166 . 6 1 1 A 22 22 SER CA C 22 60.794 61.411 -0.617 1
1 167 . 6 1 1 A 22 22 SER HA H 22 4.363 4.272 0.091 1
1 168 . 6 1 1 A 22 22 SER CB C 22 62.850 62.671 0.179 1
1 170 . 6 1 1 A 22 22 SER C C 22 175.425 175.963 -0.538 1
1 172 . 6 1 1 A 23 23 LYS N N 23 119.671 118.446 1.225 1
1 173 . 6 1 1 A 23 23 LYS H H 23 7.366 7.548 -0.182 1
1 174 . 6 1 1 A 23 23 LYS CA C 23 54.818 55.934 -1.116 1
1 175 . 6 1 1 A 23 23 LYS HA H 23 4.368 4.361 0.007 1
1 176 . 6 1 1 A 23 23 LYS CB C 23 33.063 32.620 0.443 1
1 184 . 6 1 1 A 23 23 LYS C C 23 176.544 174.861 1.683 1
1 189 . 6 1 1 A 24 24 VAL N N 24 123.377 120.274 3.103 1
1 190 . 6 1 1 A 24 24 VAL H H 24 7.392 7.858 -0.466 1
1 191 . 6 1 1 A 24 24 VAL CA C 24 62.722 61.307 1.415 1
1 192 . 6 1 1 A 24 24 VAL HA H 24 4.184 4.456 -0.272 1
1 193 . 6 1 1 A 24 24 VAL CB C 24 31.780 33.357 -1.577 1
1 203 . 6 1 1 A 24 24 VAL C C 24 175.644 175.227 0.417 1
1 204 . 6 1 1 A 25 25 THR N N 25 117.441 117.463 -0.022 1
1 205 . 6 1 1 A 25 25 THR H H 25 8.384 8.889 -0.505 1
1 206 . 6 1 1 A 25 25 THR CA C 25 59.858 59.515 0.343 1
1 207 . 6 1 1 A 25 25 THR HA H 25 4.784 5.284 -0.500 1
1 208 . 6 1 1 A 25 25 THR CB C 25 71.687 72.686 -0.999 1
1 214 . 6 1 1 A 25 25 THR C C 25 172.360 172.984 -0.624 1
1 215 . 6 1 1 A 26 26 ALA N N 26 123.956 123.471 0.485 1
1 216 . 6 1 1 A 26 26 ALA H H 26 8.440 8.681 -0.241 1
1 217 . 6 1 1 A 26 26 ALA CA C 26 51.022 50.988 0.034 1
1 218 . 6 1 1 A 26 26 ALA HA H 26 5.575 5.438 0.137 1
1 219 . 6 1 1 A 26 26 ALA CB C 26 22.576 23.427 -0.851 1
1 223 . 6 1 1 A 26 26 ALA C C 26 176.301 175.519 0.782 1
1 224 . 6 1 1 A 27 27 SER N N 27 114.430 114.162 0.268 1
1 225 . 6 1 1 A 27 27 SER H H 27 9.021 8.950 0.071 1
1 226 . 6 1 1 A 27 27 SER CA C 27 57.771 56.763 1.008 1
1 227 . 6 1 1 A 27 27 SER HA H 27 4.745 5.131 -0.386 1
1 228 . 6 1 1 A 27 27 SER CB C 27 65.911 66.350 -0.439 1
1 230 . 6 1 1 A 27 27 SER C C 27 172.798 172.987 -0.189 1
1 232 . 6 1 1 A 28 28 GLY N N 28 108.618 107.821 0.797 1
1 233 . 6 1 1 A 28 28 GLY H H 28 8.516 8.414 0.102 1
1 234 . 6 1 1 A 28 28 GLY CA C 28 44.966 44.629 0.337 1
1 235 . 6 1 1 A 28 28 GLY HA3 H 28 4.102 4.277 -0.175 1
1 236 . 6 1 1 A 28 28 GLY C C 28 173.392 174.189 -0.797 1
1 237 . 6 1 1 A 28 28 GLY HA2 H 28 5.026 4.229 0.797 1
1 238 . 6 1 1 A 29 29 PRO CA C 29 65.446 65.007 0.439 1
1 239 . 6 1 1 A 29 29 PRO HA H 29 4.399 4.416 -0.017 1
1 240 . 6 1 1 A 29 29 PRO CB C 29 31.739 32.061 -0.322 1
1 246 . 6 1 1 A 29 29 PRO C C 29 179.804 178.544 1.260 1
1 250 . 6 1 1 A 30 30 GLY N N 30 103.199 106.022 -2.823 1
1 251 . 6 1 1 A 30 30 GLY H H 30 9.156 8.529 0.627 1
1 252 . 6 1 1 A 30 30 GLY CA C 30 46.458 47.104 -0.646 1
1 253 . 6 1 1 A 30 30 GLY HA3 H 30 3.331 4.365 -1.034 1
1 254 . 6 1 1 A 30 30 GLY C C 30 171.694 174.901 -3.207 1
1 255 . 6 1 1 A 30 30 GLY HA2 H 30 4.062 4.162 -0.100 1
1 256 . 6 1 1 A 31 31 LEU N N 31 116.112 119.480 -3.368 1
1 257 . 6 1 1 A 31 31 LEU H H 31 7.351 7.818 -0.467 1
1 258 . 6 1 1 A 31 31 LEU CA C 31 52.607 54.132 -1.525 1
1 259 . 6 1 1 A 31 31 LEU HA H 31 4.269 4.524 -0.255 1
1 260 . 6 1 1 A 31 31 LEU CB C 31 41.265 41.486 -0.221 1
1 272 . 6 1 1 A 31 31 LEU C C 31 176.751 176.135 0.616 1
1 274 . 6 1 1 A 32 32 SER N N 32 114.056 117.725 -3.669 1
1 275 . 6 1 1 A 32 32 SER H H 32 6.986 7.792 -0.806 1
1 276 . 6 1 1 A 32 32 SER CA C 32 58.750 58.340 0.410 1
1 277 . 6 1 1 A 32 32 SER HA H 32 4.268 4.302 -0.034 1
1 278 . 6 1 1 A 32 32 SER CB C 32 64.571 64.192 0.379 1
1 280 . 6 1 1 A 32 32 SER C C 32 176.483 175.575 0.908 1
1 282 . 6 1 1 A 33 33 SER N N 33 123.249 123.288 -0.039 1
1 283 . 6 1 1 A 33 33 SER H H 33 8.887 8.723 0.164 1
1 284 . 6 1 1 A 33 33 SER CA C 33 60.176 62.034 -1.858 1
1 285 . 6 1 1 A 33 33 SER HA H 33 4.409 4.041 0.368 1
1 286 . 6 1 1 A 33 33 SER CB C 33 63.098 62.978 0.120 1
1 288 . 6 1 1 A 33 33 SER C C 33 174.922 176.405 -1.483 1
1 290 . 6 1 1 A 34 34 TYR N N 34 120.641 119.994 0.647 1
1 291 . 6 1 1 A 34 34 TYR H H 34 8.225 7.439 0.786 1
1 292 . 6 1 1 A 34 34 TYR CA C 34 58.266 60.180 -1.914 1
1 293 . 6 1 1 A 34 34 TYR HA H 34 4.622 4.350 0.272 1
1 294 . 6 1 1 A 34 34 TYR CB C 34 38.478 38.712 -0.234 1
1 304 . 6 1 1 A 34 34 TYR C C 34 175.881 176.138 -0.257 1
1 306 . 6 1 1 A 35 35 GLY N N 35 109.142 105.498 3.644 1
1 307 . 6 1 1 A 35 35 GLY H H 35 7.416 7.099 0.317 1
1 308 . 6 1 1 A 35 35 GLY CA C 35 44.524 44.771 -0.247 1
1 309 . 6 1 1 A 35 35 GLY HA3 H 35 4.411 4.127 0.284 1
1 310 . 6 1 1 A 35 35 GLY C C 35 172.956 172.185 0.771 1
1 311 . 6 1 1 A 35 35 GLY HA2 H 35 4.324 4.119 0.205 1
1 312 . 6 1 1 A 36 36 VAL N N 36 116.841 116.575 0.266 1
1 313 . 6 1 1 A 36 36 VAL H H 36 8.617 8.469 0.148 1
1 314 . 6 1 1 A 36 36 VAL CA C 36 57.700 58.099 -0.399 1
1 315 . 6 1 1 A 36 36 VAL HA H 36 4.880 4.999 -0.119 1
1 316 . 6 1 1 A 36 36 VAL CB C 36 33.474 33.797 -0.323 1
1 326 . 6 1 1 A 36 36 VAL C C 36 173.489 173.565 -0.076 1
1 327 . 6 1 1 A 37 37 PRO CA C 37 62.200 62.382 -0.182 1
1 328 . 6 1 1 A 37 37 PRO HA H 37 4.646 4.718 -0.072 1
1 329 . 6 1 1 A 37 37 PRO CB C 37 31.876 31.747 0.129 1
1 335 . 6 1 1 A 37 37 PRO C C 37 177.148 176.919 0.229 1
1 339 . 6 1 1 A 38 38 ALA N N 38 124.330 125.020 -0.690 1
1 340 . 6 1 1 A 38 38 ALA H H 38 8.591 8.351 0.240 1
1 341 . 6 1 1 A 38 38 ALA CA C 38 52.606 52.525 0.081 1
1 342 . 6 1 1 A 38 38 ALA HA H 38 4.189 4.271 -0.082 1
1 343 . 6 1 1 A 38 38 ALA CB C 38 18.928 19.800 -0.872 1
1 347 . 6 1 1 A 38 38 ALA C C 38 178.418 178.271 0.147 1
1 348 . 6 1 1 A 39 39 SER N N 39 109.435 115.705 -6.270 1
1 349 . 6 1 1 A 39 39 SER H H 39 8.687 8.830 -0.143 1
1 350 . 6 1 1 A 39 39 SER CA C 39 61.147 59.043 2.104 1
1 351 . 6 1 1 A 39 39 SER HA H 39 3.770 4.045 -0.275 1
1 352 . 6 1 1 A 39 39 SER CB C 39 62.322 61.674 0.648 1
1 354 . 6 1 1 A 39 39 SER C C 39 172.372 173.328 -0.956 1
1 356 . 6 1 1 A 40 40 LEU N N 40 121.668 121.008 0.660 1
1 357 . 6 1 1 A 40 40 LEU H H 40 6.981 7.765 -0.784 1
1 358 . 6 1 1 A 40 40 LEU CA C 40 51.707 50.758 0.949 1
1 359 . 6 1 1 A 40 40 LEU HA H 40 4.890 4.689 0.201 1
1 360 . 6 1 1 A 40 40 LEU CB C 40 43.441 45.743 -2.302 1
1 372 . 6 1 1 A 40 40 LEU C C 40 173.635 174.129 -0.494 1
1 374 . 6 1 1 A 41 41 PRO CA C 41 62.683 62.297 0.386 1
1 375 . 6 1 1 A 41 41 PRO HA H 41 4.490 4.646 -0.156 1
1 376 . 6 1 1 A 41 41 PRO CB C 41 31.415 30.981 0.434 1
1 382 . 6 1 1 A 41 41 PRO C C 41 175.540 175.189 0.351 1
1 386 . 6 1 1 A 42 42 VAL N N 42 124.505 122.616 1.889 1
1 387 . 6 1 1 A 42 42 VAL H H 42 8.917 7.766 1.151 1
1 388 . 6 1 1 A 42 42 VAL CA C 42 60.282 59.408 0.874 1
1 389 . 6 1 1 A 42 42 VAL HA H 42 4.408 4.668 -0.260 1
1 390 . 6 1 1 A 42 42 VAL CB C 42 34.522 34.649 -0.127 1
1 400 . 6 1 1 A 42 42 VAL C C 42 171.180 174.191 -3.011 1
1 401 . 6 1 1 A 43 43 ASP N N 43 121.538 126.273 -4.735 1
1 402 . 6 1 1 A 43 43 ASP H H 43 7.549 9.039 -1.490 1
1 403 . 6 1 1 A 43 43 ASP CA C 43 51.968 52.346 -0.378 1
1 404 . 6 1 1 A 43 43 ASP HA H 43 6.324 5.681 0.643 1
1 405 . 6 1 1 A 43 43 ASP CB C 43 44.949 44.733 0.216 1
1 407 . 6 1 1 A 43 43 ASP C C 43 177.711 174.649 3.062 1
1 409 . 6 1 1 A 44 44 PHE N N 44 112.517 117.190 -4.673 1
1 410 . 6 1 1 A 44 44 PHE H H 44 9.044 7.632 1.412 1
1 411 . 6 1 1 A 44 44 PHE CA C 44 57.658 54.963 2.695 1
1 412 . 6 1 1 A 44 44 PHE HA H 44 5.069 5.513 -0.444 1
1 413 . 6 1 1 A 44 44 PHE CB C 44 41.220 42.095 -0.875 1
1 425 . 6 1 1 A 44 44 PHE C C 44 171.679 173.345 -1.666 1
1 427 . 6 1 1 A 45 45 ALA N N 45 123.935 121.218 2.717 1
1 428 . 6 1 1 A 45 45 ALA H H 45 9.468 9.283 0.185 1
1 429 . 6 1 1 A 45 45 ALA CA C 45 50.855 50.529 0.326 1
1 430 . 6 1 1 A 45 45 ALA HA H 45 5.379 5.345 0.034 1
1 431 . 6 1 1 A 45 45 ALA CB C 45 22.496 22.314 0.182 1
1 435 . 6 1 1 A 45 45 ALA C C 45 176.715 175.982 0.733 1
1 436 . 6 1 1 A 46 46 ILE N N 46 119.530 123.187 -3.657 1
1 437 . 6 1 1 A 46 46 ILE H H 46 8.686 9.349 -0.663 1
1 438 . 6 1 1 A 46 46 ILE CA C 46 59.561 60.734 -1.173 1
1 439 . 6 1 1 A 46 46 ILE HA H 46 4.863 4.743 0.120 1
1 440 . 6 1 1 A 46 46 ILE CB C 46 41.370 38.256 3.114 1
1 452 . 6 1 1 A 46 46 ILE C C 46 174.379 174.432 -0.053 1
1 454 . 6 1 1 A 47 47 ASP N N 47 127.143 127.418 -0.275 1
1 455 . 6 1 1 A 47 47 ASP H H 47 9.281 9.106 0.175 1
1 456 . 6 1 1 A 47 47 ASP CA C 47 53.297 53.627 -0.330 1
1 457 . 6 1 1 A 47 47 ASP HA H 47 4.976 5.180 -0.204 1
1 458 . 6 1 1 A 47 47 ASP CB C 47 41.371 42.216 -0.845 1
1 460 . 6 1 1 A 47 47 ASP C C 47 174.962 175.010 -0.048 1
1 462 . 6 1 1 A 48 48 ALA N N 48 129.371 128.699 0.672 1
1 463 . 6 1 1 A 48 48 ALA H H 48 9.078 8.557 0.521 1
1 464 . 6 1 1 A 48 48 ALA CA C 48 50.554 50.746 -0.192 1
1 465 . 6 1 1 A 48 48 ALA HA H 48 4.641 4.882 -0.241 1
1 466 . 6 1 1 A 48 48 ALA CB C 48 19.699 20.557 -0.858 1
1 470 . 6 1 1 A 48 48 ALA C C 48 179.317 178.058 1.259 1
1 471 . 6 1 1 A 49 49 ARG N N 49 122.060 121.831 0.229 1
1 472 . 6 1 1 A 49 49 ARG H H 49 8.590 8.670 -0.080 1
1 473 . 6 1 1 A 49 49 ARG CA C 49 60.964 58.370 2.594 1
1 474 . 6 1 1 A 49 49 ARG HA H 49 3.987 4.378 -0.391 1
1 475 . 6 1 1 A 49 49 ARG CB C 49 30.654 30.681 -0.027 1
1 483 . 6 1 1 A 49 49 ARG C C 49 178.077 176.593 1.484 1
1 487 . 6 1 1 A 50 50 ASP N N 50 116.664 117.913 -1.249 1
1 488 . 6 1 1 A 50 50 ASP H H 50 8.794 8.043 0.751 1
1 489 . 6 1 1 A 50 50 ASP CA C 50 53.827 53.624 0.203 1
1 490 . 6 1 1 A 50 50 ASP HA H 50 5.040 4.948 0.092 1
1 491 . 6 1 1 A 50 50 ASP CB C 50 41.595 41.641 -0.046 1
1 493 . 6 1 1 A 50 50 ASP C C 50 175.754 176.436 -0.682 1
1 495 . 6 1 1 A 51 51 ALA N N 51 121.173 121.513 -0.340 1
1 496 . 6 1 1 A 51 51 ALA H H 51 7.406 7.774 -0.368 1
1 497 . 6 1 1 A 51 51 ALA CA C 51 52.147 52.279 -0.132 1
1 498 . 6 1 1 A 51 51 ALA HA H 51 4.414 4.584 -0.170 1
1 499 . 6 1 1 A 51 51 ALA CB C 51 23.427 20.098 3.329 1
1 503 . 6 1 1 A 51 51 ALA C C 51 176.763 178.386 -1.623 1
1 504 . 6 1 1 A 52 52 GLY N N 52 108.187 106.121 2.066 1
1 505 . 6 1 1 A 52 52 GLY H H 52 8.521 7.930 0.591 1
1 506 . 6 1 1 A 52 52 GLY CA C 52 45.210 46.111 -0.901 1
1 507 . 6 1 1 A 52 52 GLY HA3 H 52 3.859 4.166 -0.307 1
1 508 . 6 1 1 A 52 52 GLY C C 52 175.060 173.419 1.641 1
1 509 . 6 1 1 A 52 52 GLY HA2 H 52 4.492 4.112 0.380 1
1 510 . 6 1 1 A 53 53 GLU N N 53 124.810 122.012 2.798 1
1 511 . 6 1 1 A 53 53 GLU H H 53 8.643 8.630 0.013 1
1 512 . 6 1 1 A 53 53 GLU CA C 53 56.352 54.934 1.418 1
1 513 . 6 1 1 A 53 53 GLU HA H 53 4.663 5.654 -0.991 1
1 514 . 6 1 1 A 53 53 GLU CB C 53 31.164 32.706 -1.542 1
1 518 . 6 1 1 A 53 53 GLU C C 53 173.491 176.594 -3.103 1
1 521 . 6 1 1 A 54 54 GLY N N 54 111.417 109.714 1.703 1
1 522 . 6 1 1 A 54 54 GLY H H 54 7.465 8.000 -0.535 1
1 523 . 6 1 1 A 54 54 GLY CA C 54 43.622 44.569 -0.947 1
1 524 . 6 1 1 A 54 54 GLY HA3 H 54 2.287 3.849 -1.562 1
1 525 . 6 1 1 A 54 54 GLY C C 54 170.013 171.384 -1.371 1
1 526 . 6 1 1 A 54 54 GLY HA2 H 54 3.819 3.431 0.388 1
1 527 . 6 1 1 A 55 55 LEU N N 55 117.446 121.534 -4.088 1
1 528 . 6 1 1 A 55 55 LEU H H 55 7.461 8.310 -0.849 1
1 529 . 6 1 1 A 55 55 LEU CA C 55 54.041 54.295 -0.254 1
1 530 . 6 1 1 A 55 55 LEU HA H 55 4.293 4.209 0.084 1
1 531 . 6 1 1 A 55 55 LEU CB C 55 42.832 40.842 1.990 1
1 543 . 6 1 1 A 55 55 LEU C C 55 176.872 175.912 0.960 1
1 545 . 6 1 1 A 56 56 LEU N N 56 131.840 127.111 4.729 1
1 546 . 6 1 1 A 56 56 LEU H H 56 8.791 8.438 0.353 1
1 547 . 6 1 1 A 56 56 LEU CA C 56 53.807 54.347 -0.540 1
1 548 . 6 1 1 A 56 56 LEU HA H 56 5.053 4.680 0.373 1
1 549 . 6 1 1 A 56 56 LEU CB C 56 43.113 43.457 -0.344 1
1 561 . 6 1 1 A 56 56 LEU C C 56 175.389 175.216 0.173 1
1 563 . 6 1 1 A 57 57 ALA N N 57 130.035 128.455 1.580 1
1 564 . 6 1 1 A 57 57 ALA H H 57 8.880 8.402 0.478 1
1 565 . 6 1 1 A 57 57 ALA CA C 57 51.758 50.112 1.646 1
1 566 . 6 1 1 A 57 57 ALA HA H 57 4.641 5.285 -0.644 1
1 567 . 6 1 1 A 57 57 ALA CB C 57 21.820 23.906 -2.086 1
1 571 . 6 1 1 A 57 57 ALA C C 57 174.647 175.565 -0.918 1
1 572 . 6 1 1 A 58 58 VAL N N 58 120.958 120.027 0.931 1
1 573 . 6 1 1 A 58 58 VAL H H 58 8.443 8.808 -0.365 1
1 574 . 6 1 1 A 58 58 VAL CA C 58 60.495 61.642 -1.147 1
1 575 . 6 1 1 A 58 58 VAL HA H 58 4.988 4.600 0.388 1
1 576 . 6 1 1 A 58 58 VAL CB C 58 34.639 34.114 0.525 1
1 586 . 6 1 1 A 58 58 VAL C C 58 174.646 174.770 -0.124 1
1 587 . 6 1 1 A 59 59 GLN N N 59 127.048 126.423 0.625 1
1 588 . 6 1 1 A 59 59 GLN H H 59 9.196 8.873 0.323 1
1 589 . 6 1 1 A 59 59 GLN CA C 59 54.587 54.981 -0.394 1
1 590 . 6 1 1 A 59 59 GLN HA H 59 4.706 4.800 -0.094 1
1 591 . 6 1 1 A 59 59 GLN CB C 59 31.580 29.497 2.083 1
1 598 . 6 1 1 A 59 59 GLN C C 59 174.197 174.692 -0.495 1
1 601 . 6 1 1 A 60 60 ILE N N 60 127.617 126.017 1.600 1
1 602 . 6 1 1 A 60 60 ILE H H 60 9.299 9.043 0.256 1
1 603 . 6 1 1 A 60 60 ILE CA C 60 60.506 60.222 0.284 1
1 604 . 6 1 1 A 60 60 ILE HA H 60 5.210 4.920 0.290 1
1 605 . 6 1 1 A 60 60 ILE CB C 60 39.172 39.883 -0.711 1
1 617 . 6 1 1 A 60 60 ILE C C 60 175.608 175.175 0.433 1
1 619 . 6 1 1 A 61 61 THR N N 61 119.733 117.682 2.051 1
1 620 . 6 1 1 A 61 61 THR H H 61 8.924 9.016 -0.092 1
1 621 . 6 1 1 A 61 61 THR CA C 61 59.565 59.412 0.153 1
1 622 . 6 1 1 A 61 61 THR HA H 61 5.173 5.492 -0.319 1
1 623 . 6 1 1 A 61 61 THR CB C 61 72.121 72.615 -0.494 1
1 629 . 6 1 1 A 61 61 THR C C 61 174.051 173.090 0.961 1
1 630 . 6 1 1 A 62 62 ASP N N 62 122.337 120.239 2.098 1
1 631 . 6 1 1 A 62 62 ASP H H 62 8.484 8.396 0.088 1
1 632 . 6 1 1 A 62 62 ASP CA C 62 52.200 51.464 0.736 1
1 633 . 6 1 1 A 62 62 ASP HA H 62 4.425 4.709 -0.284 1
1 634 . 6 1 1 A 62 62 ASP CB C 62 42.222 42.370 -0.148 1
1 636 . 6 1 1 A 62 62 ASP C C 62 179.086 177.700 1.386 1
1 638 . 6 1 1 A 63 63 GLN N N 63 118.341 117.524 0.817 1
1 639 . 6 1 1 A 63 63 GLN H H 63 8.250 8.796 -0.546 1
1 640 . 6 1 1 A 63 63 GLN CA C 63 58.406 58.504 -0.098 1
1 641 . 6 1 1 A 63 63 GLN HA H 63 4.049 4.061 -0.012 1
1 642 . 6 1 1 A 63 63 GLN CB C 63 28.127 27.898 0.229 1
1 649 . 6 1 1 A 63 63 GLN C C 63 177.152 178.122 -0.970 1
1 652 . 6 1 1 A 64 64 GLU N N 64 119.134 118.925 0.209 1
1 653 . 6 1 1 A 64 64 GLU H H 64 8.120 7.720 0.400 1
1 654 . 6 1 1 A 64 64 GLU CA C 64 55.790 57.160 -1.370 1
1 655 . 6 1 1 A 64 64 GLU HA H 64 4.423 4.342 0.081 1
1 656 . 6 1 1 A 64 64 GLU CB C 64 30.102 30.369 -0.267 1
1 660 . 6 1 1 A 64 64 GLU C C 64 176.374 176.647 -0.273 1
1 663 . 6 1 1 A 65 65 GLY N N 65 108.728 108.316 0.412 1
1 664 . 6 1 1 A 65 65 GLY H H 65 8.306 7.922 0.384 1
1 665 . 6 1 1 A 65 65 GLY CA C 65 45.285 45.821 -0.536 1
1 666 . 6 1 1 A 65 65 GLY HA3 H 65 3.561 3.943 -0.382 1
1 667 . 6 1 1 A 65 65 GLY C C 65 174.342 174.544 -0.202 1
1 668 . 6 1 1 A 65 65 GLY HA2 H 65 4.203 3.941 0.262 1
1 669 . 6 1 1 A 66 66 LYS N N 66 123.502 119.940 3.562 1
1 670 . 6 1 1 A 66 66 LYS H H 66 8.528 8.118 0.410 1
1 671 . 6 1 1 A 66 66 LYS CA C 66 53.738 53.368 0.370 1
1 672 . 6 1 1 A 66 66 LYS HA H 66 4.613 4.659 -0.046 1
1 673 . 6 1 1 A 66 66 LYS CB C 66 31.167 32.169 -1.002 1
1 681 . 6 1 1 A 66 66 LYS C C 66 174.752 174.388 0.364 1
1 686 . 6 1 1 A 67 67 PRO CA C 67 62.433 62.859 -0.426 1
1 687 . 6 1 1 A 67 67 PRO HA H 67 5.062 4.705 0.357 1
1 688 . 6 1 1 A 67 67 PRO CB C 67 32.725 31.853 0.872 1
1 694 . 6 1 1 A 67 67 PRO C C 67 177.270 176.196 1.074 1
1 698 . 6 1 1 A 68 68 LYS N N 68 121.461 121.816 -0.355 1
1 699 . 6 1 1 A 68 68 LYS H H 68 8.419 8.156 0.263 1
1 700 . 6 1 1 A 68 68 LYS CA C 68 52.023 54.848 -2.825 1
1 701 . 6 1 1 A 68 68 LYS HA H 68 4.797 4.879 -0.082 1
1 702 . 6 1 1 A 68 68 LYS CB C 68 32.611 34.931 -2.320 1
1 710 . 6 1 1 A 68 68 LYS C C 68 175.389 175.415 -0.026 1
1 715 . 6 1 1 A 69 69 ARG N N 69 124.040 122.770 1.270 1
1 716 . 6 1 1 A 69 69 ARG H H 69 8.683 8.575 0.108 1
1 717 . 6 1 1 A 69 69 ARG CA C 69 57.045 56.695 0.350 1
1 718 . 6 1 1 A 69 69 ARG HA H 69 4.221 4.608 -0.387 1
1 719 . 6 1 1 A 69 69 ARG CB C 69 30.712 30.688 0.024 1
1 725 . 6 1 1 A 69 69 ARG C C 69 174.877 175.139 -0.262 1
1 729 . 6 1 1 A 70 70 ALA N N 70 127.074 126.975 0.099 1
1 730 . 6 1 1 A 70 70 ALA H H 70 8.421 8.506 -0.085 1
1 731 . 6 1 1 A 70 70 ALA CA C 70 50.360 50.770 -0.410 1
1 732 . 6 1 1 A 70 70 ALA HA H 70 4.859 5.194 -0.335 1
1 733 . 6 1 1 A 70 70 ALA CB C 70 20.569 22.180 -1.611 1
1 737 . 6 1 1 A 70 70 ALA C C 70 176.313 175.627 0.686 1
1 738 . 6 1 1 A 71 71 ILE N N 71 124.496 123.399 1.097 1
1 739 . 6 1 1 A 71 71 ILE H H 71 8.943 9.385 -0.442 1
1 740 . 6 1 1 A 71 71 ILE CA C 71 60.870 59.932 0.938 1
1 741 . 6 1 1 A 71 71 ILE HA H 71 4.195 4.694 -0.499 1
1 742 . 6 1 1 A 71 71 ILE CB C 71 38.457 40.021 -1.564 1
1 754 . 6 1 1 A 71 71 ILE C C 71 175.027 174.694 0.333 1
1 756 . 6 1 1 A 72 72 VAL N N 72 128.410 126.759 1.651 1
1 757 . 6 1 1 A 72 72 VAL H H 72 8.714 8.786 -0.072 1
1 758 . 6 1 1 A 72 72 VAL CA C 72 61.867 59.550 2.317 1
1 759 . 6 1 1 A 72 72 VAL HA H 72 4.478 4.926 -0.448 1
1 760 . 6 1 1 A 72 72 VAL CB C 72 32.745 34.192 -1.447 1
1 770 . 6 1 1 A 72 72 VAL C C 72 175.279 173.454 1.825 1
1 771 . 6 1 1 A 73 73 HIS N N 73 129.084 127.415 1.669 1
1 772 . 6 1 1 A 73 73 HIS H H 73 9.783 9.053 0.730 1
1 773 . 6 1 1 A 73 73 HIS CA C 73 55.366 54.418 0.948 1
1 774 . 6 1 1 A 73 73 HIS HA H 73 4.849 5.284 -0.435 1
1 775 . 6 1 1 A 73 73 HIS CB C 73 31.465 32.680 -1.215 1
1 781 . 6 1 1 A 73 73 HIS C C 73 173.491 173.938 -0.447 1
1 783 . 6 1 1 A 74 74 ASP N N 74 127.118 123.415 3.703 1
1 784 . 6 1 1 A 74 74 ASP H H 74 8.541 9.062 -0.521 1
1 785 . 6 1 1 A 74 74 ASP CA C 74 53.048 53.589 -0.541 1
1 786 . 6 1 1 A 74 74 ASP HA H 74 4.476 5.102 -0.626 1
1 787 . 6 1 1 A 74 74 ASP CB C 74 41.554 42.202 -0.648 1
1 789 . 6 1 1 A 74 74 ASP C C 74 175.936 175.818 0.118 1
1 791 . 6 1 1 A 75 75 ASN N N 75 124.002 122.514 1.488 1
1 792 . 6 1 1 A 75 75 ASN H H 75 7.827 8.807 -0.980 1
1 793 . 6 1 1 A 75 75 ASN CA C 75 54.517 53.225 1.292 1
1 794 . 6 1 1 A 75 75 ASN HA H 75 4.572 4.880 -0.308 1
1 795 . 6 1 1 A 75 75 ASN CB C 75 38.091 39.756 -1.665 1
1 800 . 6 1 1 A 75 75 ASN C C 75 175.352 174.882 0.470 1
1 802 . 6 1 1 A 76 76 LYS N N 76 114.689 115.461 -0.772 1
1 803 . 6 1 1 A 76 76 LYS H H 76 9.246 7.710 1.536 1
1 804 . 6 1 1 A 76 76 LYS CA C 76 57.428 57.142 0.286 1
1 805 . 6 1 1 A 76 76 LYS HA H 76 3.882 3.901 -0.019 1
1 806 . 6 1 1 A 76 76 LYS CB C 76 28.223 28.977 -0.754 1
1 814 . 6 1 1 A 76 76 LYS C C 76 174.975 174.720 0.255 1
1 819 . 6 1 1 A 77 77 ASP N N 77 117.462 118.900 -1.438 1
1 820 . 6 1 1 A 77 77 ASP H H 77 7.831 7.889 -0.058 1
1 821 . 6 1 1 A 77 77 ASP CA C 77 52.168 53.001 -0.833 1
1 822 . 6 1 1 A 77 77 ASP HA H 77 4.706 4.824 -0.118 1
1 823 . 6 1 1 A 77 77 ASP CB C 77 41.224 41.091 0.133 1
1 825 . 6 1 1 A 77 77 ASP C C 77 176.739 175.927 0.812 1
1 827 . 6 1 1 A 78 78 GLY N N 78 109.485 108.128 1.357 1
1 828 . 6 1 1 A 78 78 GLY H H 78 8.658 8.592 0.066 1
1 829 . 6 1 1 A 78 78 GLY CA C 78 45.568 46.148 -0.580 1
1 830 . 6 1 1 A 78 78 GLY HA3 H 78 3.698 3.862 -0.164 1
1 831 . 6 1 1 A 78 78 GLY C C 78 172.263 173.400 -1.137 1
1 832 . 6 1 1 A 78 78 GLY HA2 H 78 4.323 3.845 0.478 1
1 833 . 6 1 1 A 79 79 THR N N 79 109.462 109.916 -0.454 1
1 834 . 6 1 1 A 79 79 THR H H 79 8.057 7.158 0.899 1
1 835 . 6 1 1 A 79 79 THR CA C 79 59.989 60.025 -0.036 1
1 836 . 6 1 1 A 79 79 THR HA H 79 5.566 5.214 0.352 1
1 837 . 6 1 1 A 79 79 THR CB C 79 72.712 72.483 0.229 1
1 843 . 6 1 1 A 79 79 THR C C 79 173.868 171.851 2.017 1
1 844 . 6 1 1 A 80 80 TYR N N 80 116.428 119.103 -2.675 1
1 845 . 6 1 1 A 80 80 TYR H H 80 9.085 8.833 0.252 1
1 846 . 6 1 1 A 80 80 TYR CA C 80 56.533 56.523 0.010 1
1 847 . 6 1 1 A 80 80 TYR HA H 80 5.372 5.104 0.268 1
1 848 . 6 1 1 A 80 80 TYR CB C 80 42.831 42.749 0.082 1
1 858 . 6 1 1 A 80 80 TYR C C 80 175.327 174.666 0.661 1
1 860 . 6 1 1 A 81 81 ALA N N 81 126.743 125.965 0.778 1
1 861 . 6 1 1 A 81 81 ALA H H 81 9.302 8.485 0.817 1
1 862 . 6 1 1 A 81 81 ALA CA C 81 51.121 49.892 1.229 1
1 863 . 6 1 1 A 81 81 ALA HA H 81 5.149 5.692 -0.543 1
1 864 . 6 1 1 A 81 81 ALA CB C 81 22.111 22.997 -0.886 1
1 868 . 6 1 1 A 81 81 ALA C C 81 175.505 175.971 -0.466 1
1 869 . 6 1 1 A 82 82 VAL N N 82 124.472 120.608 3.864 1
1 870 . 6 1 1 A 82 82 VAL H H 82 8.940 7.957 0.983 1
1 871 . 6 1 1 A 82 82 VAL CA C 82 60.264 60.973 -0.709 1
1 872 . 6 1 1 A 82 82 VAL HA H 82 5.039 4.665 0.374 1
1 873 . 6 1 1 A 82 82 VAL CB C 82 33.236 34.416 -1.180 1
1 883 . 6 1 1 A 82 82 VAL C C 82 174.517 174.401 0.116 1
1 884 . 6 1 1 A 83 83 THR N N 83 121.500 122.839 -1.339 1
1 885 . 6 1 1 A 83 83 THR H H 83 8.717 8.314 0.403 1
1 886 . 6 1 1 A 83 83 THR CA C 83 61.075 62.370 -1.295 1
1 887 . 6 1 1 A 83 83 THR HA H 83 5.497 5.218 0.279 1
1 888 . 6 1 1 A 83 83 THR CB C 83 72.153 70.967 1.186 1
1 894 . 6 1 1 A 83 83 THR C C 83 173.515 173.676 -0.161 1
1 895 . 6 1 1 A 84 84 TYR N N 84 122.841 121.090 1.751 1
1 896 . 6 1 1 A 84 84 TYR H H 84 9.014 8.881 0.133 1
1 897 . 6 1 1 A 84 84 TYR CA C 84 55.985 55.805 0.180 1
1 898 . 6 1 1 A 84 84 TYR HA H 84 4.979 5.314 -0.335 1
1 899 . 6 1 1 A 84 84 TYR CB C 84 41.967 41.599 0.368 1
1 909 . 6 1 1 A 84 84 TYR C C 84 171.873 172.884 -1.011 1
1 911 . 6 1 1 A 85 85 ILE N N 85 118.254 123.762 -5.508 1
1 912 . 6 1 1 A 85 85 ILE H H 85 8.805 8.884 -0.079 1
1 913 . 6 1 1 A 85 85 ILE CA C 85 57.883 58.114 -0.231 1
1 914 . 6 1 1 A 85 85 ILE HA H 85 4.550 4.585 -0.035 1
1 915 . 6 1 1 A 85 85 ILE CB C 85 40.179 38.653 1.526 1
1 927 . 6 1 1 A 85 85 ILE C C 85 174.339 174.850 -0.511 1
1 929 . 6 1 1 A 86 86 PRO CA C 86 61.414 62.450 -1.036 1
1 930 . 6 1 1 A 86 86 PRO HA H 86 4.436 4.717 -0.281 1
1 931 . 6 1 1 A 86 86 PRO CB C 86 30.107 30.968 -0.861 1
1 937 . 6 1 1 A 86 86 PRO C C 86 175.126 177.194 -2.068 1
1 941 . 6 1 1 A 87 87 ASP N N 87 123.447 125.724 -2.277 1
1 942 . 6 1 1 A 87 87 ASP H H 87 8.501 9.000 -0.499 1
1 943 . 6 1 1 A 87 87 ASP CA C 87 55.668 57.147 -1.479 1
1 944 . 6 1 1 A 87 87 ASP HA H 87 4.263 4.389 -0.126 1
1 945 . 6 1 1 A 87 87 ASP CB C 87 40.930 41.441 -0.511 1
1 947 . 6 1 1 A 87 87 ASP C C 87 175.182 176.340 -1.158 1
1 949 . 6 1 1 A 88 88 LYS N N 88 116.947 118.808 -1.861 1
1 950 . 6 1 1 A 88 88 LYS H H 88 7.683 7.959 -0.276 1
1 951 . 6 1 1 A 88 88 LYS CA C 88 54.995 55.839 -0.844 1
1 952 . 6 1 1 A 88 88 LYS HA H 88 4.588 4.531 0.057 1
1 953 . 6 1 1 A 88 88 LYS CB C 88 34.821 33.430 1.391 1
1 961 . 6 1 1 A 88 88 LYS C C 88 177.529 176.166 1.363 1
1 966 . 6 1 1 A 89 89 THR N N 89 114.134 113.156 0.978 1
1 967 . 6 1 1 A 89 89 THR H H 89 8.588 8.523 0.065 1
1 968 . 6 1 1 A 89 89 THR CA C 89 62.828 59.741 3.087 1
1 969 . 6 1 1 A 89 89 THR HA H 89 4.083 5.270 -1.187 1
1 970 . 6 1 1 A 89 89 THR CB C 89 69.590 71.342 -1.752 1
1 976 . 6 1 1 A 89 89 THR C C 89 174.269 173.645 0.624 1
1 977 . 6 1 1 A 90 90 GLY N N 90 109.440 108.226 1.214 1
1 978 . 6 1 1 A 90 90 GLY H H 90 8.444 8.345 0.099 1
1 979 . 6 1 1 A 90 90 GLY CA C 90 44.648 45.509 -0.861 1
1 980 . 6 1 1 A 90 90 GLY HA3 H 90 4.467 4.168 0.299 1
1 981 . 6 1 1 A 90 90 GLY C C 90 172.469 171.818 0.651 1
1 982 . 6 1 1 A 90 90 GLY HA2 H 90 3.908 4.095 -0.187 1
1 983 . 6 1 1 A 91 91 ARG N N 91 120.781 122.774 -1.993 1
1 984 . 6 1 1 A 91 91 ARG H H 91 8.271 8.253 0.018 1
1 985 . 6 1 1 A 91 91 ARG CA C 91 56.178 55.533 0.645 1
1 986 . 6 1 1 A 91 91 ARG HA H 91 4.951 4.601 0.350 1
1 987 . 6 1 1 A 91 91 ARG CB C 91 31.986 31.691 0.295 1
1 993 . 6 1 1 A 91 91 ARG C C 91 175.711 175.105 0.606 1
1 997 . 6 1 1 A 92 92 TYR N N 92 122.381 122.582 -0.201 1
1 998 . 6 1 1 A 92 92 TYR H H 92 9.312 9.469 -0.157 1
1 999 . 6 1 1 A 92 92 TYR CA C 92 56.886 56.997 -0.111 1
1 1000 . 6 1 1 A 92 92 TYR HA H 92 4.960 5.112 -0.152 1
1 1001 . 6 1 1 A 92 92 TYR CB C 92 41.223 40.572 0.651 1
1 1011 . 6 1 1 A 92 92 TYR C C 92 174.902 174.442 0.460 1
1 1013 . 6 1 1 A 93 93 MET N N 93 121.210 124.857 -3.647 1
1 1014 . 6 1 1 A 93 93 MET H H 93 8.819 8.909 -0.090 1
1 1015 . 6 1 1 A 93 93 MET CA C 93 53.745 54.139 -0.394 1
1 1016 . 6 1 1 A 93 93 MET HA H 93 5.346 5.336 0.010 1
1 1017 . 6 1 1 A 93 93 MET CB C 93 34.220 35.719 -1.499 1
1 1025 . 6 1 1 A 93 93 MET C C 93 175.365 174.872 0.493 1
1 1028 . 6 1 1 A 94 94 ILE N N 94 125.747 126.489 -0.742 1
1 1029 . 6 1 1 A 94 94 ILE H H 94 9.372 8.785 0.587 1
1 1030 . 6 1 1 A 94 94 ILE CA C 94 60.685 59.656 1.029 1
1 1031 . 6 1 1 A 94 94 ILE HA H 94 4.606 5.276 -0.670 1
1 1032 . 6 1 1 A 94 94 ILE CB C 94 39.188 41.096 -1.908 1
1 1044 . 6 1 1 A 94 94 ILE C C 94 174.987 175.116 -0.129 1
1 1046 . 6 1 1 A 95 95 GLY N N 95 116.553 114.917 1.636 1
1 1047 . 6 1 1 A 95 95 GLY H H 95 9.509 8.884 0.625 1
1 1048 . 6 1 1 A 95 95 GLY CA C 95 44.507 45.395 -0.888 1
1 1049 . 6 1 1 A 95 95 GLY HA3 H 95 3.605 4.214 -0.609 1
1 1050 . 6 1 1 A 95 95 GLY C C 95 173.175 172.186 0.989 1
1 1051 . 6 1 1 A 95 95 GLY HA2 H 95 4.606 4.179 0.427 1
1 1052 . 6 1 1 A 96 96 VAL N N 96 127.036 127.822 -0.786 1
1 1053 . 6 1 1 A 96 96 VAL H H 96 9.299 8.996 0.303 1
1 1054 . 6 1 1 A 96 96 VAL CA C 96 61.308 63.126 -1.818 1
1 1055 . 6 1 1 A 96 96 VAL HA H 96 4.889 4.464 0.425 1
1 1056 . 6 1 1 A 96 96 VAL CB C 96 34.145 31.634 2.511 1
1 1066 . 6 1 1 A 96 96 VAL C C 96 174.354 175.662 -1.308 1
1 1067 . 6 1 1 A 97 97 THR N N 97 115.219 118.880 -3.661 1
1 1068 . 6 1 1 A 97 97 THR H H 97 9.018 8.963 0.055 1
1 1069 . 6 1 1 A 97 97 THR CA C 97 57.826 59.388 -1.562 1
1 1070 . 6 1 1 A 97 97 THR HA H 97 5.265 5.458 -0.193 1
1 1071 . 6 1 1 A 97 97 THR CB C 97 72.753 71.853 0.900 1
1 1077 . 6 1 1 A 97 97 THR C C 97 173.175 173.095 0.080 1
1 1078 . 6 1 1 A 98 98 TYR N N 98 122.768 123.864 -1.096 1
1 1079 . 6 1 1 A 98 98 TYR H H 98 9.149 9.207 -0.058 1
1 1080 . 6 1 1 A 98 98 TYR CA C 98 57.488 57.373 0.115 1
1 1081 . 6 1 1 A 98 98 TYR HA H 98 5.077 4.921 0.156 1
1 1082 . 6 1 1 A 98 98 TYR CB C 98 43.122 41.469 1.653 1
1 1092 . 6 1 1 A 98 98 TYR C C 98 175.949 175.513 0.436 1
1 1094 . 6 1 1 A 99 99 GLY N N 99 113.994 115.124 -1.130 1
1 1095 . 6 1 1 A 99 99 GLY H H 99 8.402 8.635 -0.233 1
1 1096 . 6 1 1 A 99 99 GLY CA C 99 45.010 46.504 -1.494 1
1 1097 . 6 1 1 A 99 99 GLY HA3 H 99 2.623 3.368 -0.745 1
1 1098 . 6 1 1 A 99 99 GLY C C 99 174.197 175.251 -1.054 1
1 1099 . 6 1 1 A 99 99 GLY HA2 H 99 3.220 2.991 0.229 1
1 1100 . 6 1 1 A 100 100 GLY N N 100 103.115 106.088 -2.973 1
1 1101 . 6 1 1 A 100 100 GLY H H 100 8.288 8.609 -0.321 1
1 1102 . 6 1 1 A 100 100 GLY CA C 100 44.170 46.521 -2.351 1
1 1103 . 6 1 1 A 100 100 GLY HA3 H 100 4.265 3.907 0.358 1
1 1104 . 6 1 1 A 100 100 GLY C C 100 173.054 173.363 -0.309 1
1 1105 . 6 1 1 A 100 100 GLY HA2 H 100 3.284 3.891 -0.607 1
1 1106 . 6 1 1 A 101 101 ASP N N 101 120.566 119.659 0.907 1
1 1107 . 6 1 1 A 101 101 ASP H H 101 7.245 7.943 -0.698 1
1 1108 . 6 1 1 A 101 101 ASP CA C 101 52.908 53.206 -0.298 1
1 1109 . 6 1 1 A 101 101 ASP HA H 101 5.012 5.103 -0.091 1
1 1110 . 6 1 1 A 101 101 ASP CB C 101 42.831 44.026 -1.195 1
1 1112 . 6 1 1 A 101 101 ASP C C 101 175.182 175.226 -0.044 1
1 1114 . 6 1 1 A 102 102 ASP N N 102 122.668 125.355 -2.687 1
1 1115 . 6 1 1 A 102 102 ASP H H 102 8.597 8.970 -0.373 1
1 1116 . 6 1 1 A 102 102 ASP CA C 102 56.233 54.187 2.046 1
1 1117 . 6 1 1 A 102 102 ASP HA H 102 4.667 4.928 -0.261 1
1 1118 . 6 1 1 A 102 102 ASP CB C 102 42.373 41.439 0.934 1
1 1120 . 6 1 1 A 102 102 ASP C C 102 176.970 176.090 0.880 1
1 1122 . 6 1 1 A 103 103 ILE N N 103 117.672 118.671 -0.999 1
1 1123 . 6 1 1 A 103 103 ILE H H 103 7.887 8.196 -0.309 1
1 1124 . 6 1 1 A 103 103 ILE CA C 103 61.025 59.752 1.273 1
1 1125 . 6 1 1 A 103 103 ILE HA H 103 4.526 4.562 -0.036 1
1 1126 . 6 1 1 A 103 103 ILE CB C 103 35.534 37.584 -2.050 1
1 1138 . 6 1 1 A 103 103 ILE C C 103 173.902 176.538 -2.636 1
1 1140 . 6 1 1 A 104 104 PRO CA C 104 66.456 64.181 2.275 1
1 1141 . 6 1 1 A 104 104 PRO HA H 104 4.177 4.510 -0.333 1
1 1142 . 6 1 1 A 104 104 PRO CB C 104 31.709 31.519 0.190 1
1 1151 . 6 1 1 A 105 105 LEU N N 105 115.386 117.648 -2.262 1
1 1152 . 6 1 1 A 105 105 LEU H H 105 8.464 7.893 0.571 1
1 1153 . 6 1 1 A 105 105 LEU CA C 105 55.294 55.656 -0.362 1
1 1154 . 6 1 1 A 105 105 LEU HA H 105 3.845 4.249 -0.404 1
1 1155 . 6 1 1 A 105 105 LEU CB C 105 39.148 42.746 -3.598 1
1 1168 . 6 1 1 A 106 106 SER N N 106 111.669 113.263 -1.594 1
1 1169 . 6 1 1 A 106 106 SER H H 106 7.338 7.118 0.220 1
1 1170 . 6 1 1 A 106 106 SER CA C 106 54.750 56.586 -1.836 1
1 1171 . 6 1 1 A 106 106 SER HA H 106 4.347 4.352 -0.005 1
1 1172 . 6 1 1 A 106 106 SER CB C 106 64.133 63.354 0.779 1
1 1175 . 6 1 1 A 107 107 PRO CA C 107 62.344 62.364 -0.020 1
1 1176 . 6 1 1 A 107 107 PRO HA H 107 5.323 5.045 0.278 1
1 1177 . 6 1 1 A 107 107 PRO CB C 107 33.977 32.863 1.114 1
1 1183 . 6 1 1 A 107 107 PRO C C 107 176.003 174.771 1.232 1
1 1187 . 6 1 1 A 108 108 TYR N N 108 122.832 119.273 3.559 1
1 1188 . 6 1 1 A 108 108 TYR H H 108 9.294 8.633 0.661 1
1 1189 . 6 1 1 A 108 108 TYR CA C 108 57.629 56.924 0.705 1
1 1190 . 6 1 1 A 108 108 TYR HA H 108 4.428 4.925 -0.497 1
1 1191 . 6 1 1 A 108 108 TYR CB C 108 40.091 41.016 -0.925 1
1 1201 . 6 1 1 A 108 108 TYR C C 108 175.851 175.394 0.457 1
1 1203 . 6 1 1 A 109 109 ARG N N 109 122.941 124.238 -1.297 1
1 1204 . 6 1 1 A 109 109 ARG H H 109 8.746 8.857 -0.111 1
1 1205 . 6 1 1 A 109 109 ARG CA C 109 55.259 56.294 -1.035 1
1 1206 . 6 1 1 A 109 109 ARG HA H 109 5.189 4.783 0.406 1
1 1207 . 6 1 1 A 109 109 ARG CB C 109 30.879 31.096 -0.217 1
1 1213 . 6 1 1 A 109 109 ARG C C 109 175.522 175.637 -0.115 1
1 1217 . 6 1 1 A 110 110 ILE N N 110 125.109 124.390 0.719 1
1 1218 . 6 1 1 A 110 110 ILE H H 110 8.742 8.365 0.377 1
1 1219 . 6 1 1 A 110 110 ILE CA C 110 57.577 59.442 -1.865 1
1 1220 . 6 1 1 A 110 110 ILE HA H 110 4.758 4.815 -0.057 1
1 1221 . 6 1 1 A 110 110 ILE CB C 110 41.138 42.564 -1.426 1
1 1233 . 6 1 1 A 110 110 ILE C C 110 175.121 174.558 0.563 1
1 1235 . 6 1 1 A 111 111 ARG N N 111 125.357 122.609 2.748 1
1 1236 . 6 1 1 A 111 111 ARG H H 111 8.776 8.985 -0.209 1
1 1237 . 6 1 1 A 111 111 ARG CA C 111 54.730 54.639 0.091 1
1 1238 . 6 1 1 A 111 111 ARG HA H 111 5.053 5.503 -0.450 1
1 1239 . 6 1 1 A 111 111 ARG CB C 111 32.685 33.831 -1.146 1
1 1245 . 6 1 1 A 111 111 ARG C C 111 174.163 174.273 -0.110 1
1 1249 . 6 1 1 A 112 112 ALA N N 112 127.119 126.282 0.837 1
1 1250 . 6 1 1 A 112 112 ALA H H 112 9.208 8.576 0.632 1
1 1251 . 6 1 1 A 112 112 ALA CA C 112 49.945 51.160 -1.215 1
1 1252 . 6 1 1 A 112 112 ALA HA H 112 5.851 5.124 0.727 1
1 1253 . 6 1 1 A 112 112 ALA CB C 112 21.329 20.332 0.997 1
1 1257 . 6 1 1 A 112 112 ALA C C 112 178.853 176.382 2.471 1
1 1258 . 6 1 1 A 113 113 THR N N 113 116.033 119.718 -3.685 1
1 1259 . 6 1 1 A 113 113 THR H H 113 8.995 8.746 0.249 1
1 1260 . 6 1 1 A 113 113 THR CA C 113 60.312 60.541 -0.229 1
1 1261 . 6 1 1 A 113 113 THR HA H 113 4.695 5.026 -0.331 1
1 1262 . 6 1 1 A 113 113 THR CB C 113 71.251 71.317 -0.066 1
1 1268 . 6 1 1 A 113 113 THR C C 113 173.710 172.597 1.113 1
1 1269 . 6 1 1 A 114 114 GLN N N 114 122.122 128.742 -6.620 1
1 1270 . 6 1 1 A 114 114 GLN H H 114 8.753 8.836 -0.083 1
1 1271 . 6 1 1 A 114 114 GLN CA C 114 55.817 54.090 1.727 1
1 1272 . 6 1 1 A 114 114 GLN HA H 114 4.570 5.093 -0.523 1
1 1273 . 6 1 1 A 114 114 GLN CB C 114 30.106 32.178 -2.072 1
1 1280 . 6 1 1 A 114 114 GLN C C 114 176.106 174.512 1.594 1
1 1283 . 6 1 1 A 115 115 THR N N 115 117.345 122.334 -4.989 1
1 1284 . 6 1 1 A 115 115 THR H H 115 8.493 8.811 -0.318 1
1 1285 . 6 1 1 A 115 115 THR CA C 115 62.328 60.629 1.699 1
1 1286 . 6 1 1 A 115 115 THR HA H 115 4.351 5.154 -0.803 1
1 1287 . 6 1 1 A 115 115 THR CB C 115 69.874 70.913 -1.039 1
1 1293 . 6 1 1 A 115 115 THR C C 115 175.158 174.286 0.872 1
1 1294 . 6 1 1 A 116 116 GLY N N 116 111.927 112.680 -0.753 1
1 1295 . 6 1 1 A 116 116 GLY H H 116 8.559 8.385 0.174 1
1 1296 . 6 1 1 A 116 116 GLY CA C 116 45.315 45.703 -0.388 1
1 1297 . 6 1 1 A 116 116 GLY HA3 H 116 3.934 4.126 -0.192 1
1 1298 . 6 1 1 A 116 116 GLY C C 116 173.820 172.756 1.064 1
1 1299 . 6 1 1 A 116 116 GLY HA2 H 116 4.030 4.124 -0.094 1
1 1300 . 6 1 1 A 117 117 ASP N N 117 120.643 124.585 -3.942 1
1 1301 . 6 1 1 A 117 117 ASP H H 117 8.208 8.665 -0.457 1
1 1302 . 6 1 1 A 117 117 ASP CA C 117 54.393 54.462 -0.069 1
1 1303 . 6 1 1 A 117 117 ASP HA H 117 4.615 4.707 -0.092 1
1 1304 . 6 1 1 A 117 117 ASP CB C 117 41.388 41.488 -0.100 1
1 1306 . 6 1 1 A 117 117 ASP C C 117 175.973 176.077 -0.104 1
1 1308 . 6 1 1 A 118 118 ALA N N 118 124.934 124.444 0.490 1
1 1309 . 6 1 1 A 118 118 ALA H H 118 8.312 8.364 -0.052 1
1 1310 . 6 1 1 A 118 118 ALA CA C 118 52.447 50.774 1.673 1
1 1311 . 6 1 1 A 118 118 ALA HA H 118 4.415 5.183 -0.768 1
1 1312 . 6 1 1 A 118 118 ALA CB C 118 19.339 22.248 -2.909 1
1 1316 . 6 1 1 A 118 118 ALA C C 118 176.848 176.746 0.102 1
1 1 . 7 1 1 A 9 9 SER HA H 9 4.733 5.110 -0.377 1
1 2 . 7 1 1 A 10 10 PRO CA C 10 63.335 62.753 0.582 1
1 3 . 7 1 1 A 10 10 PRO HA H 10 4.399 4.835 -0.436 1
1 4 . 7 1 1 A 10 10 PRO CB C 10 31.938 30.393 1.545 1
1 10 . 7 1 1 A 10 10 PRO C C 10 176.442 176.260 0.182 1
1 14 . 7 1 1 A 11 11 PHE N N 11 119.801 118.349 1.452 1
1 15 . 7 1 1 A 11 11 PHE H H 11 8.036 8.273 -0.237 1
1 16 . 7 1 1 A 11 11 PHE CA C 11 57.505 56.620 0.885 1
1 17 . 7 1 1 A 11 11 PHE HA H 11 4.606 5.053 -0.447 1
1 18 . 7 1 1 A 11 11 PHE CB C 11 39.592 40.893 -1.301 1
1 30 . 7 1 1 A 11 11 PHE C C 11 175.401 173.071 2.330 1
1 32 . 7 1 1 A 12 12 LYS N N 12 123.563 122.665 0.898 1
1 33 . 7 1 1 A 12 12 LYS H H 12 8.112 8.550 -0.438 1
1 34 . 7 1 1 A 12 12 LYS CA C 12 56.175 54.852 1.323 1
1 35 . 7 1 1 A 12 12 LYS HA H 12 4.322 4.542 -0.220 1
1 36 . 7 1 1 A 12 12 LYS CB C 12 33.352 35.501 -2.149 1
1 44 . 7 1 1 A 12 12 LYS C C 12 175.802 174.727 1.075 1
1 49 . 7 1 1 A 13 13 VAL N N 13 122.071 125.775 -3.704 1
1 50 . 7 1 1 A 13 13 VAL H H 13 8.080 8.674 -0.594 1
1 51 . 7 1 1 A 13 13 VAL CA C 13 62.280 60.768 1.512 1
1 52 . 7 1 1 A 13 13 VAL HA H 13 4.036 4.591 -0.555 1
1 53 . 7 1 1 A 13 13 VAL CB C 13 32.895 33.812 -0.917 1
1 63 . 7 1 1 A 13 13 VAL C C 13 175.814 174.929 0.885 1
1 64 . 7 1 1 A 14 14 LYS N N 14 125.874 130.133 -4.259 1
1 65 . 7 1 1 A 14 14 LYS H H 14 8.392 8.751 -0.359 1
1 66 . 7 1 1 A 14 14 LYS CA C 14 56.250 55.584 0.666 1
1 67 . 7 1 1 A 14 14 LYS HA H 14 4.322 4.814 -0.492 1
1 68 . 7 1 1 A 14 14 LYS CB C 14 33.193 33.455 -0.262 1
1 73 . 7 1 1 A 14 14 LYS C C 14 175.973 176.300 -0.327 1
1 75 . 7 1 1 A 15 15 VAL N N 15 123.129 120.270 2.859 1
1 76 . 7 1 1 A 15 15 VAL H H 15 8.204 8.880 -0.676 1
1 77 . 7 1 1 A 15 15 VAL CA C 15 62.033 59.135 2.898 1
1 78 . 7 1 1 A 15 15 VAL HA H 15 4.100 4.990 -0.890 1
1 79 . 7 1 1 A 15 15 VAL CB C 15 32.858 36.036 -3.178 1
1 89 . 7 1 1 A 15 15 VAL C C 15 175.717 174.817 0.900 1
1 90 . 7 1 1 A 16 16 LEU N N 16 127.971 122.776 5.195 1
1 91 . 7 1 1 A 16 16 LEU H H 16 8.378 8.808 -0.430 1
1 92 . 7 1 1 A 16 16 LEU CA C 16 52.885 52.309 0.576 1
1 93 . 7 1 1 A 16 16 LEU HA H 16 4.624 4.766 -0.142 1
1 94 . 7 1 1 A 16 16 LEU CB C 16 41.706 41.963 -0.257 1
1 106 . 7 1 1 A 16 16 LEU C C 16 175.092 174.918 0.174 1
1 108 . 7 1 1 A 17 17 PRO CA C 17 62.704 62.509 0.195 1
1 109 . 7 1 1 A 17 17 PRO HA H 17 4.556 4.712 -0.156 1
1 110 . 7 1 1 A 17 17 PRO CB C 17 32.293 33.270 -0.977 1
1 116 . 7 1 1 A 17 17 PRO C C 17 177.319 176.722 0.597 1
1 120 . 7 1 1 A 18 18 THR N N 18 112.726 113.692 -0.966 1
1 121 . 7 1 1 A 18 18 THR H H 18 8.497 8.703 -0.206 1
1 122 . 7 1 1 A 18 18 THR CA C 18 62.335 63.313 -0.978 1
1 123 . 7 1 1 A 18 18 THR HA H 18 4.352 4.360 -0.008 1
1 124 . 7 1 1 A 18 18 THR CB C 18 69.700 69.533 0.167 1
1 130 . 7 1 1 A 18 18 THR C C 18 173.418 174.692 -1.274 1
1 131 . 7 1 1 A 19 19 TYR N N 19 118.883 120.450 -1.567 1
1 132 . 7 1 1 A 19 19 TYR H H 19 7.244 7.801 -0.557 1
1 133 . 7 1 1 A 19 19 TYR CA C 19 55.270 58.081 -2.811 1
1 134 . 7 1 1 A 19 19 TYR HA H 19 5.404 4.538 0.866 1
1 135 . 7 1 1 A 19 19 TYR CB C 19 40.974 39.764 1.210 1
1 145 . 7 1 1 A 19 19 TYR C C 19 174.318 175.265 -0.947 1
1 147 . 7 1 1 A 20 20 ASP N N 20 118.193 119.833 -1.640 1
1 148 . 7 1 1 A 20 20 ASP H H 20 8.686 8.971 -0.285 1
1 149 . 7 1 1 A 20 20 ASP CA C 20 53.226 53.319 -0.093 1
1 150 . 7 1 1 A 20 20 ASP HA H 20 4.539 5.113 -0.574 1
1 151 . 7 1 1 A 20 20 ASP CB C 20 41.490 43.391 -1.901 1
1 153 . 7 1 1 A 20 20 ASP C C 20 176.349 176.157 0.192 1
1 155 . 7 1 1 A 21 21 ALA N N 21 127.255 128.626 -1.371 1
1 156 . 7 1 1 A 21 21 ALA H H 21 9.404 9.177 0.227 1
1 157 . 7 1 1 A 21 21 ALA CA C 21 55.157 55.575 -0.418 1
1 158 . 7 1 1 A 21 21 ALA HA H 21 4.204 4.071 0.133 1
1 159 . 7 1 1 A 21 21 ALA CB C 21 19.890 18.370 1.520 1
1 163 . 7 1 1 A 21 21 ALA C C 21 178.113 179.947 -1.834 1
1 164 . 7 1 1 A 22 22 SER N N 22 110.959 112.686 -1.727 1
1 165 . 7 1 1 A 22 22 SER H H 22 8.397 8.275 0.122 1
1 166 . 7 1 1 A 22 22 SER CA C 22 60.794 61.483 -0.689 1
1 167 . 7 1 1 A 22 22 SER HA H 22 4.363 4.264 0.099 1
1 168 . 7 1 1 A 22 22 SER CB C 22 62.850 62.659 0.191 1
1 170 . 7 1 1 A 22 22 SER C C 22 175.425 175.932 -0.507 1
1 172 . 7 1 1 A 23 23 LYS N N 23 119.671 118.627 1.044 1
1 173 . 7 1 1 A 23 23 LYS H H 23 7.366 7.337 0.029 1
1 174 . 7 1 1 A 23 23 LYS CA C 23 54.818 55.774 -0.956 1
1 175 . 7 1 1 A 23 23 LYS HA H 23 4.368 4.442 -0.074 1
1 176 . 7 1 1 A 23 23 LYS CB C 23 33.063 32.344 0.719 1
1 184 . 7 1 1 A 23 23 LYS C C 23 176.544 174.905 1.639 1
1 189 . 7 1 1 A 24 24 VAL N N 24 123.377 119.797 3.580 1
1 190 . 7 1 1 A 24 24 VAL H H 24 7.392 7.356 0.036 1
1 191 . 7 1 1 A 24 24 VAL CA C 24 62.722 61.377 1.345 1
1 192 . 7 1 1 A 24 24 VAL HA H 24 4.184 4.559 -0.375 1
1 193 . 7 1 1 A 24 24 VAL CB C 24 31.780 33.551 -1.771 1
1 203 . 7 1 1 A 24 24 VAL C C 24 175.644 175.345 0.299 1
1 204 . 7 1 1 A 25 25 THR N N 25 117.441 117.947 -0.506 1
1 205 . 7 1 1 A 25 25 THR H H 25 8.384 8.936 -0.552 1
1 206 . 7 1 1 A 25 25 THR CA C 25 59.858 60.274 -0.416 1
1 207 . 7 1 1 A 25 25 THR HA H 25 4.784 5.301 -0.517 1
1 208 . 7 1 1 A 25 25 THR CB C 25 71.687 72.491 -0.804 1
1 214 . 7 1 1 A 25 25 THR C C 25 172.360 173.059 -0.699 1
1 215 . 7 1 1 A 26 26 ALA N N 26 123.956 124.246 -0.290 1
1 216 . 7 1 1 A 26 26 ALA H H 26 8.440 8.782 -0.342 1
1 217 . 7 1 1 A 26 26 ALA CA C 26 51.022 50.721 0.301 1
1 218 . 7 1 1 A 26 26 ALA HA H 26 5.575 5.414 0.161 1
1 219 . 7 1 1 A 26 26 ALA CB C 26 22.576 23.706 -1.130 1
1 223 . 7 1 1 A 26 26 ALA C C 26 176.301 175.264 1.037 1
1 224 . 7 1 1 A 27 27 SER N N 27 114.430 114.526 -0.096 1
1 225 . 7 1 1 A 27 27 SER H H 27 9.021 8.520 0.501 1
1 226 . 7 1 1 A 27 27 SER CA C 27 57.771 57.201 0.570 1
1 227 . 7 1 1 A 27 27 SER HA H 27 4.745 5.333 -0.588 1
1 228 . 7 1 1 A 27 27 SER CB C 27 65.911 67.348 -1.437 1
1 230 . 7 1 1 A 27 27 SER C C 27 172.798 173.103 -0.305 1
1 232 . 7 1 1 A 28 28 GLY N N 28 108.618 110.110 -1.492 1
1 233 . 7 1 1 A 28 28 GLY H H 28 8.516 8.424 0.092 1
1 234 . 7 1 1 A 28 28 GLY CA C 28 44.966 44.491 0.475 1
1 235 . 7 1 1 A 28 28 GLY HA3 H 28 4.102 4.278 -0.176 1
1 236 . 7 1 1 A 28 28 GLY C C 28 173.392 174.156 -0.764 1
1 237 . 7 1 1 A 28 28 GLY HA2 H 28 5.026 4.237 0.789 1
1 238 . 7 1 1 A 29 29 PRO CA C 29 65.446 65.031 0.415 1
1 239 . 7 1 1 A 29 29 PRO HA H 29 4.399 4.448 -0.049 1
1 240 . 7 1 1 A 29 29 PRO CB C 29 31.739 32.074 -0.335 1
1 246 . 7 1 1 A 29 29 PRO C C 29 179.804 178.510 1.294 1
1 250 . 7 1 1 A 30 30 GLY N N 30 103.199 105.992 -2.793 1
1 251 . 7 1 1 A 30 30 GLY H H 30 9.156 8.553 0.603 1
1 252 . 7 1 1 A 30 30 GLY CA C 30 46.458 46.970 -0.512 1
1 253 . 7 1 1 A 30 30 GLY HA3 H 30 3.331 4.400 -1.069 1
1 254 . 7 1 1 A 30 30 GLY C C 30 171.694 174.735 -3.041 1
1 255 . 7 1 1 A 30 30 GLY HA2 H 30 4.062 4.251 -0.189 1
1 256 . 7 1 1 A 31 31 LEU N N 31 116.112 119.643 -3.531 1
1 257 . 7 1 1 A 31 31 LEU H H 31 7.351 7.791 -0.440 1
1 258 . 7 1 1 A 31 31 LEU CA C 31 52.607 54.280 -1.673 1
1 259 . 7 1 1 A 31 31 LEU HA H 31 4.269 4.610 -0.341 1
1 260 . 7 1 1 A 31 31 LEU CB C 31 41.265 42.780 -1.515 1
1 272 . 7 1 1 A 31 31 LEU C C 31 176.751 176.294 0.457 1
1 274 . 7 1 1 A 32 32 SER N N 32 114.056 117.717 -3.661 1
1 275 . 7 1 1 A 32 32 SER H H 32 6.986 7.878 -0.892 1
1 276 . 7 1 1 A 32 32 SER CA C 32 58.750 58.318 0.432 1
1 277 . 7 1 1 A 32 32 SER HA H 32 4.268 4.413 -0.145 1
1 278 . 7 1 1 A 32 32 SER CB C 32 64.571 64.398 0.173 1
1 280 . 7 1 1 A 32 32 SER C C 32 176.483 175.491 0.992 1
1 282 . 7 1 1 A 33 33 SER N N 33 123.249 123.460 -0.211 1
1 283 . 7 1 1 A 33 33 SER H H 33 8.887 8.909 -0.022 1
1 284 . 7 1 1 A 33 33 SER CA C 33 60.176 61.270 -1.094 1
1 285 . 7 1 1 A 33 33 SER HA H 33 4.409 4.114 0.295 1
1 286 . 7 1 1 A 33 33 SER CB C 33 63.098 62.247 0.851 1
1 288 . 7 1 1 A 33 33 SER C C 33 174.922 175.948 -1.026 1
1 290 . 7 1 1 A 34 34 TYR N N 34 120.641 119.728 0.913 1
1 291 . 7 1 1 A 34 34 TYR H H 34 8.225 7.812 0.413 1
1 292 . 7 1 1 A 34 34 TYR CA C 34 58.266 60.073 -1.807 1
1 293 . 7 1 1 A 34 34 TYR HA H 34 4.622 4.360 0.262 1
1 294 . 7 1 1 A 34 34 TYR CB C 34 38.478 38.655 -0.177 1
1 304 . 7 1 1 A 34 34 TYR C C 34 175.881 176.114 -0.233 1
1 306 . 7 1 1 A 35 35 GLY N N 35 109.142 105.616 3.526 1
1 307 . 7 1 1 A 35 35 GLY H H 35 7.416 7.517 -0.101 1
1 308 . 7 1 1 A 35 35 GLY CA C 35 44.524 44.661 -0.137 1
1 309 . 7 1 1 A 35 35 GLY HA3 H 35 4.411 4.110 0.301 1
1 310 . 7 1 1 A 35 35 GLY C C 35 172.956 172.186 0.770 1
1 311 . 7 1 1 A 35 35 GLY HA2 H 35 4.324 4.104 0.220 1
1 312 . 7 1 1 A 36 36 VAL N N 36 116.841 116.500 0.341 1
1 313 . 7 1 1 A 36 36 VAL H H 36 8.617 8.300 0.317 1
1 314 . 7 1 1 A 36 36 VAL CA C 36 57.700 58.080 -0.380 1
1 315 . 7 1 1 A 36 36 VAL HA H 36 4.880 4.992 -0.112 1
1 316 . 7 1 1 A 36 36 VAL CB C 36 33.474 33.918 -0.444 1
1 326 . 7 1 1 A 36 36 VAL C C 36 173.489 173.469 0.020 1
1 327 . 7 1 1 A 37 37 PRO CA C 37 62.200 62.279 -0.079 1
1 328 . 7 1 1 A 37 37 PRO HA H 37 4.646 4.748 -0.102 1
1 329 . 7 1 1 A 37 37 PRO CB C 37 31.876 31.692 0.184 1
1 335 . 7 1 1 A 37 37 PRO C C 37 177.148 177.043 0.105 1
1 339 . 7 1 1 A 38 38 ALA N N 38 124.330 125.015 -0.685 1
1 340 . 7 1 1 A 38 38 ALA H H 38 8.591 8.216 0.375 1
1 341 . 7 1 1 A 38 38 ALA CA C 38 52.606 52.353 0.253 1
1 342 . 7 1 1 A 38 38 ALA HA H 38 4.189 4.268 -0.079 1
1 343 . 7 1 1 A 38 38 ALA CB C 38 18.928 19.946 -1.018 1
1 347 . 7 1 1 A 38 38 ALA C C 38 178.418 178.255 0.163 1
1 348 . 7 1 1 A 39 39 SER N N 39 109.435 115.212 -5.777 1
1 349 . 7 1 1 A 39 39 SER H H 39 8.687 9.166 -0.479 1
1 350 . 7 1 1 A 39 39 SER CA C 39 61.147 59.038 2.109 1
1 351 . 7 1 1 A 39 39 SER HA H 39 3.770 4.040 -0.270 1
1 352 . 7 1 1 A 39 39 SER CB C 39 62.322 61.673 0.649 1
1 354 . 7 1 1 A 39 39 SER C C 39 172.372 173.297 -0.925 1
1 356 . 7 1 1 A 40 40 LEU N N 40 121.668 120.965 0.703 1
1 357 . 7 1 1 A 40 40 LEU H H 40 6.981 7.709 -0.728 1
1 358 . 7 1 1 A 40 40 LEU CA C 40 51.707 50.878 0.829 1
1 359 . 7 1 1 A 40 40 LEU HA H 40 4.890 4.697 0.193 1
1 360 . 7 1 1 A 40 40 LEU CB C 40 43.441 45.659 -2.218 1
1 372 . 7 1 1 A 40 40 LEU C C 40 173.635 174.110 -0.475 1
1 374 . 7 1 1 A 41 41 PRO CA C 41 62.683 62.313 0.370 1
1 375 . 7 1 1 A 41 41 PRO HA H 41 4.490 4.616 -0.126 1
1 376 . 7 1 1 A 41 41 PRO CB C 41 31.415 30.742 0.673 1
1 382 . 7 1 1 A 41 41 PRO C C 41 175.540 175.129 0.411 1
1 386 . 7 1 1 A 42 42 VAL N N 42 124.505 122.599 1.906 1
1 387 . 7 1 1 A 42 42 VAL H H 42 8.917 7.817 1.100 1
1 388 . 7 1 1 A 42 42 VAL CA C 42 60.282 59.431 0.851 1
1 389 . 7 1 1 A 42 42 VAL HA H 42 4.408 4.646 -0.238 1
1 390 . 7 1 1 A 42 42 VAL CB C 42 34.522 34.400 0.122 1
1 400 . 7 1 1 A 42 42 VAL C C 42 171.180 174.229 -3.049 1
1 401 . 7 1 1 A 43 43 ASP N N 43 121.538 126.888 -5.350 1
1 402 . 7 1 1 A 43 43 ASP H H 43 7.549 9.124 -1.575 1
1 403 . 7 1 1 A 43 43 ASP CA C 43 51.968 52.301 -0.333 1
1 404 . 7 1 1 A 43 43 ASP HA H 43 6.324 5.634 0.690 1
1 405 . 7 1 1 A 43 43 ASP CB C 43 44.949 44.720 0.229 1
1 407 . 7 1 1 A 43 43 ASP C C 43 177.711 174.690 3.021 1
1 409 . 7 1 1 A 44 44 PHE N N 44 112.517 116.850 -4.333 1
1 410 . 7 1 1 A 44 44 PHE H H 44 9.044 7.740 1.304 1
1 411 . 7 1 1 A 44 44 PHE CA C 44 57.658 54.997 2.661 1
1 412 . 7 1 1 A 44 44 PHE HA H 44 5.069 5.522 -0.453 1
1 413 . 7 1 1 A 44 44 PHE CB C 44 41.220 41.894 -0.674 1
1 425 . 7 1 1 A 44 44 PHE C C 44 171.679 173.094 -1.415 1
1 427 . 7 1 1 A 45 45 ALA N N 45 123.935 121.139 2.796 1
1 428 . 7 1 1 A 45 45 ALA H H 45 9.468 8.945 0.523 1
1 429 . 7 1 1 A 45 45 ALA CA C 45 50.855 50.638 0.217 1
1 430 . 7 1 1 A 45 45 ALA HA H 45 5.379 5.378 0.001 1
1 431 . 7 1 1 A 45 45 ALA CB C 45 22.496 22.355 0.141 1
1 435 . 7 1 1 A 45 45 ALA C C 45 176.715 175.858 0.857 1
1 436 . 7 1 1 A 46 46 ILE N N 46 119.530 123.300 -3.770 1
1 437 . 7 1 1 A 46 46 ILE H H 46 8.686 9.432 -0.746 1
1 438 . 7 1 1 A 46 46 ILE CA C 46 59.561 60.811 -1.250 1
1 439 . 7 1 1 A 46 46 ILE HA H 46 4.863 4.744 0.119 1
1 440 . 7 1 1 A 46 46 ILE CB C 46 41.370 38.037 3.333 1
1 452 . 7 1 1 A 46 46 ILE C C 46 174.379 174.167 0.212 1
1 454 . 7 1 1 A 47 47 ASP N N 47 127.143 129.204 -2.061 1
1 455 . 7 1 1 A 47 47 ASP H H 47 9.281 8.839 0.442 1
1 456 . 7 1 1 A 47 47 ASP CA C 47 53.297 53.293 0.004 1
1 457 . 7 1 1 A 47 47 ASP HA H 47 4.976 5.062 -0.086 1
1 458 . 7 1 1 A 47 47 ASP CB C 47 41.371 42.012 -0.641 1
1 460 . 7 1 1 A 47 47 ASP C C 47 174.962 174.992 -0.030 1
1 462 . 7 1 1 A 48 48 ALA N N 48 129.371 129.511 -0.140 1
1 463 . 7 1 1 A 48 48 ALA H H 48 9.078 8.527 0.551 1
1 464 . 7 1 1 A 48 48 ALA CA C 48 50.554 50.788 -0.234 1
1 465 . 7 1 1 A 48 48 ALA HA H 48 4.641 4.914 -0.273 1
1 466 . 7 1 1 A 48 48 ALA CB C 48 19.699 20.559 -0.860 1
1 470 . 7 1 1 A 48 48 ALA C C 48 179.317 176.587 2.730 1
1 471 . 7 1 1 A 49 49 ARG N N 49 122.060 124.654 -2.594 1
1 472 . 7 1 1 A 49 49 ARG H H 49 8.590 8.934 -0.344 1
1 473 . 7 1 1 A 49 49 ARG CA C 49 60.964 57.621 3.343 1
1 474 . 7 1 1 A 49 49 ARG HA H 49 3.987 4.488 -0.501 1
1 475 . 7 1 1 A 49 49 ARG CB C 49 30.654 31.199 -0.545 1
1 483 . 7 1 1 A 49 49 ARG C C 49 178.077 177.113 0.964 1
1 487 . 7 1 1 A 50 50 ASP N N 50 116.664 115.831 0.833 1
1 488 . 7 1 1 A 50 50 ASP H H 50 8.794 8.002 0.792 1
1 489 . 7 1 1 A 50 50 ASP CA C 50 53.827 53.600 0.227 1
1 490 . 7 1 1 A 50 50 ASP HA H 50 5.040 4.912 0.128 1
1 491 . 7 1 1 A 50 50 ASP CB C 50 41.595 41.706 -0.111 1
1 493 . 7 1 1 A 50 50 ASP C C 50 175.754 176.469 -0.715 1
1 495 . 7 1 1 A 51 51 ALA N N 51 121.173 121.797 -0.624 1
1 496 . 7 1 1 A 51 51 ALA H H 51 7.406 7.932 -0.526 1
1 497 . 7 1 1 A 51 51 ALA CA C 51 52.147 51.670 0.477 1
1 498 . 7 1 1 A 51 51 ALA HA H 51 4.414 4.355 0.059 1
1 499 . 7 1 1 A 51 51 ALA CB C 51 23.427 18.791 4.636 1
1 503 . 7 1 1 A 51 51 ALA C C 51 176.763 177.802 -1.039 1
1 504 . 7 1 1 A 52 52 GLY N N 52 108.187 106.981 1.206 1
1 505 . 7 1 1 A 52 52 GLY H H 52 8.521 8.118 0.403 1
1 506 . 7 1 1 A 52 52 GLY CA C 52 45.210 46.590 -1.380 1
1 507 . 7 1 1 A 52 52 GLY HA3 H 52 3.859 3.953 -0.094 1
1 508 . 7 1 1 A 52 52 GLY C C 52 175.060 173.420 1.640 1
1 509 . 7 1 1 A 52 52 GLY HA2 H 52 4.492 3.904 0.588 1
1 510 . 7 1 1 A 53 53 GLU N N 53 124.810 122.843 1.967 1
1 511 . 7 1 1 A 53 53 GLU H H 53 8.643 8.797 -0.154 1
1 512 . 7 1 1 A 53 53 GLU CA C 53 56.352 55.220 1.132 1
1 513 . 7 1 1 A 53 53 GLU HA H 53 4.663 5.384 -0.721 1
1 514 . 7 1 1 A 53 53 GLU CB C 53 31.164 32.415 -1.251 1
1 518 . 7 1 1 A 53 53 GLU C C 53 173.491 176.179 -2.688 1
1 521 . 7 1 1 A 54 54 GLY N N 54 111.417 111.031 0.386 1
1 522 . 7 1 1 A 54 54 GLY H H 54 7.465 9.137 -1.672 1
1 523 . 7 1 1 A 54 54 GLY CA C 54 43.622 44.607 -0.985 1
1 524 . 7 1 1 A 54 54 GLY HA3 H 54 2.287 4.149 -1.862 1
1 525 . 7 1 1 A 54 54 GLY C C 54 170.013 171.434 -1.421 1
1 526 . 7 1 1 A 54 54 GLY HA2 H 54 3.819 3.864 -0.045 1
1 527 . 7 1 1 A 55 55 LEU N N 55 117.446 122.260 -4.814 1
1 528 . 7 1 1 A 55 55 LEU H H 55 7.461 7.899 -0.438 1
1 529 . 7 1 1 A 55 55 LEU CA C 55 54.041 54.396 -0.355 1
1 530 . 7 1 1 A 55 55 LEU HA H 55 4.293 4.281 0.012 1
1 531 . 7 1 1 A 55 55 LEU CB C 55 42.832 42.673 0.159 1
1 543 . 7 1 1 A 55 55 LEU C C 55 176.872 175.502 1.370 1
1 545 . 7 1 1 A 56 56 LEU N N 56 131.840 128.387 3.453 1
1 546 . 7 1 1 A 56 56 LEU H H 56 8.791 8.379 0.412 1
1 547 . 7 1 1 A 56 56 LEU CA C 56 53.807 54.048 -0.241 1
1 548 . 7 1 1 A 56 56 LEU HA H 56 5.053 4.636 0.417 1
1 549 . 7 1 1 A 56 56 LEU CB C 56 43.113 43.628 -0.515 1
1 561 . 7 1 1 A 56 56 LEU C C 56 175.389 174.955 0.434 1
1 563 . 7 1 1 A 57 57 ALA N N 57 130.035 128.522 1.513 1
1 564 . 7 1 1 A 57 57 ALA H H 57 8.880 8.567 0.313 1
1 565 . 7 1 1 A 57 57 ALA CA C 57 51.758 50.325 1.433 1
1 566 . 7 1 1 A 57 57 ALA HA H 57 4.641 5.197 -0.556 1
1 567 . 7 1 1 A 57 57 ALA CB C 57 21.820 22.966 -1.146 1
1 571 . 7 1 1 A 57 57 ALA C C 57 174.647 175.601 -0.954 1
1 572 . 7 1 1 A 58 58 VAL N N 58 120.958 120.378 0.580 1
1 573 . 7 1 1 A 58 58 VAL H H 58 8.443 8.705 -0.262 1
1 574 . 7 1 1 A 58 58 VAL CA C 58 60.495 60.865 -0.370 1
1 575 . 7 1 1 A 58 58 VAL HA H 58 4.988 4.978 0.010 1
1 576 . 7 1 1 A 58 58 VAL CB C 58 34.639 34.913 -0.274 1
1 586 . 7 1 1 A 58 58 VAL C C 58 174.646 174.963 -0.317 1
1 587 . 7 1 1 A 59 59 GLN N N 59 127.048 124.807 2.241 1
1 588 . 7 1 1 A 59 59 GLN H H 59 9.196 8.748 0.448 1
1 589 . 7 1 1 A 59 59 GLN CA C 59 54.587 54.564 0.023 1
1 590 . 7 1 1 A 59 59 GLN HA H 59 4.706 5.162 -0.456 1
1 591 . 7 1 1 A 59 59 GLN CB C 59 31.580 32.134 -0.554 1
1 598 . 7 1 1 A 59 59 GLN C C 59 174.197 174.378 -0.181 1
1 601 . 7 1 1 A 60 60 ILE N N 60 127.617 124.268 3.349 1
1 602 . 7 1 1 A 60 60 ILE H H 60 9.299 9.020 0.279 1
1 603 . 7 1 1 A 60 60 ILE CA C 60 60.506 59.877 0.629 1
1 604 . 7 1 1 A 60 60 ILE HA H 60 5.210 5.027 0.183 1
1 605 . 7 1 1 A 60 60 ILE CB C 60 39.172 40.766 -1.594 1
1 617 . 7 1 1 A 60 60 ILE C C 60 175.608 174.702 0.906 1
1 619 . 7 1 1 A 61 61 THR N N 61 119.733 117.802 1.931 1
1 620 . 7 1 1 A 61 61 THR H H 61 8.924 8.754 0.170 1
1 621 . 7 1 1 A 61 61 THR CA C 61 59.565 59.436 0.129 1
1 622 . 7 1 1 A 61 61 THR HA H 61 5.173 5.503 -0.330 1
1 623 . 7 1 1 A 61 61 THR CB C 61 72.121 72.940 -0.819 1
1 629 . 7 1 1 A 61 61 THR C C 61 174.051 173.380 0.671 1
1 630 . 7 1 1 A 62 62 ASP N N 62 122.337 120.621 1.716 1
1 631 . 7 1 1 A 62 62 ASP H H 62 8.484 8.334 0.150 1
1 632 . 7 1 1 A 62 62 ASP CA C 62 52.200 51.346 0.854 1
1 633 . 7 1 1 A 62 62 ASP HA H 62 4.425 4.486 -0.061 1
1 634 . 7 1 1 A 62 62 ASP CB C 62 42.222 42.303 -0.081 1
1 636 . 7 1 1 A 62 62 ASP C C 62 179.086 177.916 1.170 1
1 638 . 7 1 1 A 63 63 GLN N N 63 118.341 117.579 0.762 1
1 639 . 7 1 1 A 63 63 GLN H H 63 8.250 8.689 -0.439 1
1 640 . 7 1 1 A 63 63 GLN CA C 63 58.406 58.359 0.047 1
1 641 . 7 1 1 A 63 63 GLN HA H 63 4.049 4.030 0.019 1
1 642 . 7 1 1 A 63 63 GLN CB C 63 28.127 27.987 0.140 1
1 649 . 7 1 1 A 63 63 GLN C C 63 177.152 178.147 -0.995 1
1 652 . 7 1 1 A 64 64 GLU N N 64 119.134 118.830 0.304 1
1 653 . 7 1 1 A 64 64 GLU H H 64 8.120 7.741 0.379 1
1 654 . 7 1 1 A 64 64 GLU CA C 64 55.790 56.890 -1.100 1
1 655 . 7 1 1 A 64 64 GLU HA H 64 4.423 4.334 0.089 1
1 656 . 7 1 1 A 64 64 GLU CB C 64 30.102 30.357 -0.255 1
1 660 . 7 1 1 A 64 64 GLU C C 64 176.374 176.659 -0.285 1
1 663 . 7 1 1 A 65 65 GLY N N 65 108.728 108.156 0.572 1
1 664 . 7 1 1 A 65 65 GLY H H 65 8.306 7.981 0.325 1
1 665 . 7 1 1 A 65 65 GLY CA C 65 45.285 45.598 -0.313 1
1 666 . 7 1 1 A 65 65 GLY HA3 H 65 3.561 3.948 -0.387 1
1 667 . 7 1 1 A 65 65 GLY C C 65 174.342 174.249 0.093 1
1 668 . 7 1 1 A 65 65 GLY HA2 H 65 4.203 3.946 0.257 1
1 669 . 7 1 1 A 66 66 LYS N N 66 123.502 120.215 3.287 1
1 670 . 7 1 1 A 66 66 LYS H H 66 8.528 8.144 0.384 1
1 671 . 7 1 1 A 66 66 LYS CA C 66 53.738 53.190 0.548 1
1 672 . 7 1 1 A 66 66 LYS HA H 66 4.613 4.711 -0.098 1
1 673 . 7 1 1 A 66 66 LYS CB C 66 31.167 32.269 -1.102 1
1 681 . 7 1 1 A 66 66 LYS C C 66 174.752 174.270 0.482 1
1 686 . 7 1 1 A 67 67 PRO CA C 67 62.433 62.786 -0.353 1
1 687 . 7 1 1 A 67 67 PRO HA H 67 5.062 4.693 0.369 1
1 688 . 7 1 1 A 67 67 PRO CB C 67 32.725 31.815 0.910 1
1 694 . 7 1 1 A 67 67 PRO C C 67 177.270 176.005 1.265 1
1 698 . 7 1 1 A 68 68 LYS N N 68 121.461 121.910 -0.449 1
1 699 . 7 1 1 A 68 68 LYS H H 68 8.419 8.623 -0.204 1
1 700 . 7 1 1 A 68 68 LYS CA C 68 52.023 54.702 -2.679 1
1 701 . 7 1 1 A 68 68 LYS HA H 68 4.797 4.865 -0.068 1
1 702 . 7 1 1 A 68 68 LYS CB C 68 32.611 35.547 -2.936 1
1 710 . 7 1 1 A 68 68 LYS C C 68 175.389 176.013 -0.624 1
1 715 . 7 1 1 A 69 69 ARG N N 69 124.040 123.957 0.083 1
1 716 . 7 1 1 A 69 69 ARG H H 69 8.683 8.585 0.098 1
1 717 . 7 1 1 A 69 69 ARG CA C 69 57.045 57.208 -0.163 1
1 718 . 7 1 1 A 69 69 ARG HA H 69 4.221 4.317 -0.096 1
1 719 . 7 1 1 A 69 69 ARG CB C 69 30.712 30.634 0.078 1
1 725 . 7 1 1 A 69 69 ARG C C 69 174.877 175.245 -0.368 1
1 729 . 7 1 1 A 70 70 ALA N N 70 127.074 128.020 -0.946 1
1 730 . 7 1 1 A 70 70 ALA H H 70 8.421 8.618 -0.197 1
1 731 . 7 1 1 A 70 70 ALA CA C 70 50.360 50.840 -0.480 1
1 732 . 7 1 1 A 70 70 ALA HA H 70 4.859 5.144 -0.285 1
1 733 . 7 1 1 A 70 70 ALA CB C 70 20.569 22.257 -1.688 1
1 737 . 7 1 1 A 70 70 ALA C C 70 176.313 175.551 0.762 1
1 738 . 7 1 1 A 71 71 ILE N N 71 124.496 122.555 1.941 1
1 739 . 7 1 1 A 71 71 ILE H H 71 8.943 9.045 -0.102 1
1 740 . 7 1 1 A 71 71 ILE CA C 71 60.870 60.067 0.803 1
1 741 . 7 1 1 A 71 71 ILE HA H 71 4.195 4.687 -0.492 1
1 742 . 7 1 1 A 71 71 ILE CB C 71 38.457 39.664 -1.207 1
1 754 . 7 1 1 A 71 71 ILE C C 71 175.027 175.451 -0.424 1
1 756 . 7 1 1 A 72 72 VAL N N 72 128.410 127.954 0.456 1
1 757 . 7 1 1 A 72 72 VAL H H 72 8.714 9.087 -0.373 1
1 758 . 7 1 1 A 72 72 VAL CA C 72 61.867 61.343 0.524 1
1 759 . 7 1 1 A 72 72 VAL HA H 72 4.478 4.514 -0.036 1
1 760 . 7 1 1 A 72 72 VAL CB C 72 32.745 32.345 0.400 1
1 770 . 7 1 1 A 72 72 VAL C C 72 175.279 174.909 0.370 1
1 771 . 7 1 1 A 73 73 HIS N N 73 129.084 128.363 0.721 1
1 772 . 7 1 1 A 73 73 HIS H H 73 9.783 9.276 0.507 1
1 773 . 7 1 1 A 73 73 HIS CA C 73 55.366 55.414 -0.048 1
1 774 . 7 1 1 A 73 73 HIS HA H 73 4.849 4.850 -0.001 1
1 775 . 7 1 1 A 73 73 HIS CB C 73 31.465 30.903 0.562 1
1 781 . 7 1 1 A 73 73 HIS C C 73 173.491 173.302 0.189 1
1 783 . 7 1 1 A 74 74 ASP N N 74 127.118 126.912 0.206 1
1 784 . 7 1 1 A 74 74 ASP H H 74 8.541 8.836 -0.295 1
1 785 . 7 1 1 A 74 74 ASP CA C 74 53.048 53.509 -0.461 1
1 786 . 7 1 1 A 74 74 ASP HA H 74 4.476 5.300 -0.824 1
1 787 . 7 1 1 A 74 74 ASP CB C 74 41.554 42.763 -1.209 1
1 789 . 7 1 1 A 74 74 ASP C C 74 175.936 175.900 0.036 1
1 791 . 7 1 1 A 75 75 ASN N N 75 124.002 122.603 1.399 1
1 792 . 7 1 1 A 75 75 ASN H H 75 7.827 8.805 -0.978 1
1 793 . 7 1 1 A 75 75 ASN CA C 75 54.517 53.303 1.214 1
1 794 . 7 1 1 A 75 75 ASN HA H 75 4.572 4.889 -0.317 1
1 795 . 7 1 1 A 75 75 ASN CB C 75 38.091 39.758 -1.667 1
1 800 . 7 1 1 A 75 75 ASN C C 75 175.352 174.891 0.461 1
1 802 . 7 1 1 A 76 76 LYS N N 76 114.689 115.792 -1.103 1
1 803 . 7 1 1 A 76 76 LYS H H 76 9.246 7.685 1.561 1
1 804 . 7 1 1 A 76 76 LYS CA C 76 57.428 57.135 0.293 1
1 805 . 7 1 1 A 76 76 LYS HA H 76 3.882 3.901 -0.019 1
1 806 . 7 1 1 A 76 76 LYS CB C 76 28.223 29.000 -0.777 1
1 814 . 7 1 1 A 76 76 LYS C C 76 174.975 174.736 0.239 1
1 819 . 7 1 1 A 77 77 ASP N N 77 117.462 118.684 -1.222 1
1 820 . 7 1 1 A 77 77 ASP H H 77 7.831 7.879 -0.048 1
1 821 . 7 1 1 A 77 77 ASP CA C 77 52.168 52.983 -0.815 1
1 822 . 7 1 1 A 77 77 ASP HA H 77 4.706 4.848 -0.142 1
1 823 . 7 1 1 A 77 77 ASP CB C 77 41.224 41.115 0.109 1
1 825 . 7 1 1 A 77 77 ASP C C 77 176.739 175.992 0.747 1
1 827 . 7 1 1 A 78 78 GLY N N 78 109.485 108.096 1.389 1
1 828 . 7 1 1 A 78 78 GLY H H 78 8.658 8.583 0.075 1
1 829 . 7 1 1 A 78 78 GLY CA C 78 45.568 46.055 -0.487 1
1 830 . 7 1 1 A 78 78 GLY HA3 H 78 3.698 3.845 -0.147 1
1 831 . 7 1 1 A 78 78 GLY C C 78 172.263 173.396 -1.133 1
1 832 . 7 1 1 A 78 78 GLY HA2 H 78 4.323 3.835 0.488 1
1 833 . 7 1 1 A 79 79 THR N N 79 109.462 109.962 -0.500 1
1 834 . 7 1 1 A 79 79 THR H H 79 8.057 7.198 0.859 1
1 835 . 7 1 1 A 79 79 THR CA C 79 59.989 60.039 -0.050 1
1 836 . 7 1 1 A 79 79 THR HA H 79 5.566 5.051 0.515 1
1 837 . 7 1 1 A 79 79 THR CB C 79 72.712 72.316 0.396 1
1 843 . 7 1 1 A 79 79 THR C C 79 173.868 171.885 1.983 1
1 844 . 7 1 1 A 80 80 TYR N N 80 116.428 118.990 -2.562 1
1 845 . 7 1 1 A 80 80 TYR H H 80 9.085 8.816 0.269 1
1 846 . 7 1 1 A 80 80 TYR CA C 80 56.533 56.567 -0.034 1
1 847 . 7 1 1 A 80 80 TYR HA H 80 5.372 5.100 0.272 1
1 848 . 7 1 1 A 80 80 TYR CB C 80 42.831 43.179 -0.348 1
1 858 . 7 1 1 A 80 80 TYR C C 80 175.327 174.633 0.694 1
1 860 . 7 1 1 A 81 81 ALA N N 81 126.743 123.623 3.120 1
1 861 . 7 1 1 A 81 81 ALA H H 81 9.302 8.460 0.842 1
1 862 . 7 1 1 A 81 81 ALA CA C 81 51.121 49.923 1.198 1
1 863 . 7 1 1 A 81 81 ALA HA H 81 5.149 5.581 -0.432 1
1 864 . 7 1 1 A 81 81 ALA CB C 81 22.111 22.814 -0.703 1
1 868 . 7 1 1 A 81 81 ALA C C 81 175.505 175.457 0.048 1
1 869 . 7 1 1 A 82 82 VAL N N 82 124.472 120.046 4.426 1
1 870 . 7 1 1 A 82 82 VAL H H 82 8.940 8.334 0.606 1
1 871 . 7 1 1 A 82 82 VAL CA C 82 60.264 61.050 -0.786 1
1 872 . 7 1 1 A 82 82 VAL HA H 82 5.039 4.763 0.276 1
1 873 . 7 1 1 A 82 82 VAL CB C 82 33.236 34.867 -1.631 1
1 883 . 7 1 1 A 82 82 VAL C C 82 174.517 174.075 0.442 1
1 884 . 7 1 1 A 83 83 THR N N 83 121.500 123.211 -1.711 1
1 885 . 7 1 1 A 83 83 THR H H 83 8.717 8.546 0.171 1
1 886 . 7 1 1 A 83 83 THR CA C 83 61.075 61.861 -0.786 1
1 887 . 7 1 1 A 83 83 THR HA H 83 5.497 5.127 0.370 1
1 888 . 7 1 1 A 83 83 THR CB C 83 72.153 70.850 1.303 1
1 894 . 7 1 1 A 83 83 THR C C 83 173.515 173.542 -0.027 1
1 895 . 7 1 1 A 84 84 TYR N N 84 122.841 120.897 1.944 1
1 896 . 7 1 1 A 84 84 TYR H H 84 9.014 8.768 0.246 1
1 897 . 7 1 1 A 84 84 TYR CA C 84 55.985 55.792 0.193 1
1 898 . 7 1 1 A 84 84 TYR HA H 84 4.979 5.349 -0.370 1
1 899 . 7 1 1 A 84 84 TYR CB C 84 41.967 41.752 0.215 1
1 909 . 7 1 1 A 84 84 TYR C C 84 171.873 172.946 -1.073 1
1 911 . 7 1 1 A 85 85 ILE N N 85 118.254 122.742 -4.488 1
1 912 . 7 1 1 A 85 85 ILE H H 85 8.805 8.948 -0.143 1
1 913 . 7 1 1 A 85 85 ILE CA C 85 57.883 58.071 -0.188 1
1 914 . 7 1 1 A 85 85 ILE HA H 85 4.550 4.515 0.035 1
1 915 . 7 1 1 A 85 85 ILE CB C 85 40.179 39.068 1.111 1
1 927 . 7 1 1 A 85 85 ILE C C 85 174.339 174.749 -0.410 1
1 929 . 7 1 1 A 86 86 PRO CA C 86 61.414 62.267 -0.853 1
1 930 . 7 1 1 A 86 86 PRO HA H 86 4.436 4.691 -0.255 1
1 931 . 7 1 1 A 86 86 PRO CB C 86 30.107 30.134 -0.027 1
1 937 . 7 1 1 A 86 86 PRO C C 86 175.126 177.182 -2.056 1
1 941 . 7 1 1 A 87 87 ASP N N 87 123.447 125.788 -2.341 1
1 942 . 7 1 1 A 87 87 ASP H H 87 8.501 8.563 -0.062 1
1 943 . 7 1 1 A 87 87 ASP CA C 87 55.668 57.273 -1.605 1
1 944 . 7 1 1 A 87 87 ASP HA H 87 4.263 4.386 -0.123 1
1 945 . 7 1 1 A 87 87 ASP CB C 87 40.930 41.456 -0.526 1
1 947 . 7 1 1 A 87 87 ASP C C 87 175.182 175.971 -0.789 1
1 949 . 7 1 1 A 88 88 LYS N N 88 116.947 117.856 -0.909 1
1 950 . 7 1 1 A 88 88 LYS H H 88 7.683 7.854 -0.171 1
1 951 . 7 1 1 A 88 88 LYS CA C 88 54.995 54.779 0.216 1
1 952 . 7 1 1 A 88 88 LYS HA H 88 4.588 4.799 -0.211 1
1 953 . 7 1 1 A 88 88 LYS CB C 88 34.821 33.812 1.009 1
1 961 . 7 1 1 A 88 88 LYS C C 88 177.529 175.994 1.535 1
1 966 . 7 1 1 A 89 89 THR N N 89 114.134 112.532 1.602 1
1 967 . 7 1 1 A 89 89 THR H H 89 8.588 8.518 0.070 1
1 968 . 7 1 1 A 89 89 THR CA C 89 62.828 60.155 2.673 1
1 969 . 7 1 1 A 89 89 THR HA H 89 4.083 5.079 -0.996 1
1 970 . 7 1 1 A 89 89 THR CB C 89 69.590 71.454 -1.864 1
1 976 . 7 1 1 A 89 89 THR C C 89 174.269 173.410 0.859 1
1 977 . 7 1 1 A 90 90 GLY N N 90 109.440 108.054 1.386 1
1 978 . 7 1 1 A 90 90 GLY H H 90 8.444 7.930 0.514 1
1 979 . 7 1 1 A 90 90 GLY CA C 90 44.648 44.828 -0.180 1
1 980 . 7 1 1 A 90 90 GLY HA3 H 90 4.467 4.192 0.275 1
1 981 . 7 1 1 A 90 90 GLY C C 90 172.469 172.437 0.032 1
1 982 . 7 1 1 A 90 90 GLY HA2 H 90 3.908 4.142 -0.234 1
1 983 . 7 1 1 A 91 91 ARG N N 91 120.781 121.137 -0.356 1
1 984 . 7 1 1 A 91 91 ARG H H 91 8.271 8.328 -0.057 1
1 985 . 7 1 1 A 91 91 ARG CA C 91 56.178 54.107 2.071 1
1 986 . 7 1 1 A 91 91 ARG HA H 91 4.951 5.286 -0.335 1
1 987 . 7 1 1 A 91 91 ARG CB C 91 31.986 34.002 -2.016 1
1 993 . 7 1 1 A 91 91 ARG C C 91 175.711 174.309 1.402 1
1 997 . 7 1 1 A 92 92 TYR N N 92 122.381 120.182 2.199 1
1 998 . 7 1 1 A 92 92 TYR H H 92 9.312 9.209 0.103 1
1 999 . 7 1 1 A 92 92 TYR CA C 92 56.886 56.597 0.289 1
1 1000 . 7 1 1 A 92 92 TYR HA H 92 4.960 5.154 -0.194 1
1 1001 . 7 1 1 A 92 92 TYR CB C 92 41.223 41.777 -0.554 1
1 1011 . 7 1 1 A 92 92 TYR C C 92 174.902 174.040 0.862 1
1 1013 . 7 1 1 A 93 93 MET N N 93 121.210 124.841 -3.631 1
1 1014 . 7 1 1 A 93 93 MET H H 93 8.819 8.628 0.191 1
1 1015 . 7 1 1 A 93 93 MET CA C 93 53.745 53.959 -0.214 1
1 1016 . 7 1 1 A 93 93 MET HA H 93 5.346 5.460 -0.114 1
1 1017 . 7 1 1 A 93 93 MET CB C 93 34.220 35.727 -1.507 1
1 1025 . 7 1 1 A 93 93 MET C C 93 175.365 174.826 0.539 1
1 1028 . 7 1 1 A 94 94 ILE N N 94 125.747 126.889 -1.142 1
1 1029 . 7 1 1 A 94 94 ILE H H 94 9.372 8.804 0.568 1
1 1030 . 7 1 1 A 94 94 ILE CA C 94 60.685 59.752 0.933 1
1 1031 . 7 1 1 A 94 94 ILE HA H 94 4.606 5.167 -0.561 1
1 1032 . 7 1 1 A 94 94 ILE CB C 94 39.188 40.994 -1.806 1
1 1044 . 7 1 1 A 94 94 ILE C C 94 174.987 175.078 -0.091 1
1 1046 . 7 1 1 A 95 95 GLY N N 95 116.553 115.327 1.226 1
1 1047 . 7 1 1 A 95 95 GLY H H 95 9.509 8.941 0.568 1
1 1048 . 7 1 1 A 95 95 GLY CA C 95 44.507 44.956 -0.449 1
1 1049 . 7 1 1 A 95 95 GLY HA3 H 95 3.605 4.251 -0.646 1
1 1050 . 7 1 1 A 95 95 GLY C C 95 173.175 172.285 0.890 1
1 1051 . 7 1 1 A 95 95 GLY HA2 H 95 4.606 4.197 0.409 1
1 1052 . 7 1 1 A 96 96 VAL N N 96 127.036 127.349 -0.313 1
1 1053 . 7 1 1 A 96 96 VAL H H 96 9.299 9.157 0.142 1
1 1054 . 7 1 1 A 96 96 VAL CA C 96 61.308 62.580 -1.272 1
1 1055 . 7 1 1 A 96 96 VAL HA H 96 4.889 4.681 0.208 1
1 1056 . 7 1 1 A 96 96 VAL CB C 96 34.145 32.525 1.620 1
1 1066 . 7 1 1 A 96 96 VAL C C 96 174.354 175.677 -1.323 1
1 1067 . 7 1 1 A 97 97 THR N N 97 115.219 119.097 -3.878 1
1 1068 . 7 1 1 A 97 97 THR H H 97 9.018 8.731 0.287 1
1 1069 . 7 1 1 A 97 97 THR CA C 97 57.826 59.445 -1.619 1
1 1070 . 7 1 1 A 97 97 THR HA H 97 5.265 5.468 -0.203 1
1 1071 . 7 1 1 A 97 97 THR CB C 97 72.753 71.905 0.848 1
1 1077 . 7 1 1 A 97 97 THR C C 97 173.175 172.776 0.399 1
1 1078 . 7 1 1 A 98 98 TYR N N 98 122.768 123.780 -1.012 1
1 1079 . 7 1 1 A 98 98 TYR H H 98 9.149 9.287 -0.138 1
1 1080 . 7 1 1 A 98 98 TYR CA C 98 57.488 57.260 0.228 1
1 1081 . 7 1 1 A 98 98 TYR HA H 98 5.077 4.941 0.136 1
1 1082 . 7 1 1 A 98 98 TYR CB C 98 43.122 41.528 1.594 1
1 1092 . 7 1 1 A 98 98 TYR C C 98 175.949 175.443 0.506 1
1 1094 . 7 1 1 A 99 99 GLY N N 99 113.994 114.979 -0.985 1
1 1095 . 7 1 1 A 99 99 GLY H H 99 8.402 8.697 -0.295 1
1 1096 . 7 1 1 A 99 99 GLY CA C 99 45.010 46.435 -1.425 1
1 1097 . 7 1 1 A 99 99 GLY HA3 H 99 2.623 3.343 -0.720 1
1 1098 . 7 1 1 A 99 99 GLY C C 99 174.197 175.019 -0.822 1
1 1099 . 7 1 1 A 99 99 GLY HA2 H 99 3.220 3.005 0.215 1
1 1100 . 7 1 1 A 100 100 GLY N N 100 103.115 106.081 -2.966 1
1 1101 . 7 1 1 A 100 100 GLY H H 100 8.288 8.593 -0.305 1
1 1102 . 7 1 1 A 100 100 GLY CA C 100 44.170 46.292 -2.122 1
1 1103 . 7 1 1 A 100 100 GLY HA3 H 100 4.265 3.883 0.382 1
1 1104 . 7 1 1 A 100 100 GLY C C 100 173.054 173.350 -0.296 1
1 1105 . 7 1 1 A 100 100 GLY HA2 H 100 3.284 3.881 -0.597 1
1 1106 . 7 1 1 A 101 101 ASP N N 101 120.566 119.648 0.918 1
1 1107 . 7 1 1 A 101 101 ASP H H 101 7.245 7.737 -0.492 1
1 1108 . 7 1 1 A 101 101 ASP CA C 101 52.908 53.237 -0.329 1
1 1109 . 7 1 1 A 101 101 ASP HA H 101 5.012 5.103 -0.091 1
1 1110 . 7 1 1 A 101 101 ASP CB C 101 42.831 44.046 -1.215 1
1 1112 . 7 1 1 A 101 101 ASP C C 101 175.182 175.230 -0.048 1
1 1114 . 7 1 1 A 102 102 ASP N N 102 122.668 125.353 -2.685 1
1 1115 . 7 1 1 A 102 102 ASP H H 102 8.597 8.971 -0.374 1
1 1116 . 7 1 1 A 102 102 ASP CA C 102 56.233 54.138 2.095 1
1 1117 . 7 1 1 A 102 102 ASP HA H 102 4.667 4.912 -0.245 1
1 1118 . 7 1 1 A 102 102 ASP CB C 102 42.373 41.400 0.973 1
1 1120 . 7 1 1 A 102 102 ASP C C 102 176.970 176.132 0.838 1
1 1122 . 7 1 1 A 103 103 ILE N N 103 117.672 118.338 -0.666 1
1 1123 . 7 1 1 A 103 103 ILE H H 103 7.887 8.150 -0.263 1
1 1124 . 7 1 1 A 103 103 ILE CA C 103 61.025 59.757 1.268 1
1 1125 . 7 1 1 A 103 103 ILE HA H 103 4.526 4.558 -0.032 1
1 1126 . 7 1 1 A 103 103 ILE CB C 103 35.534 37.588 -2.054 1
1 1138 . 7 1 1 A 103 103 ILE C C 103 173.902 176.635 -2.733 1
1 1140 . 7 1 1 A 104 104 PRO CA C 104 66.456 64.175 2.281 1
1 1141 . 7 1 1 A 104 104 PRO HA H 104 4.177 4.511 -0.334 1
1 1142 . 7 1 1 A 104 104 PRO CB C 104 31.709 31.540 0.169 1
1 1151 . 7 1 1 A 105 105 LEU N N 105 115.386 117.608 -2.222 1
1 1152 . 7 1 1 A 105 105 LEU H H 105 8.464 7.876 0.588 1
1 1153 . 7 1 1 A 105 105 LEU CA C 105 55.294 55.215 0.079 1
1 1154 . 7 1 1 A 105 105 LEU HA H 105 3.845 4.268 -0.423 1
1 1155 . 7 1 1 A 105 105 LEU CB C 105 39.148 42.467 -3.319 1
1 1168 . 7 1 1 A 106 106 SER N N 106 111.669 113.841 -2.172 1
1 1169 . 7 1 1 A 106 106 SER H H 106 7.338 7.230 0.108 1
1 1170 . 7 1 1 A 106 106 SER CA C 106 54.750 56.592 -1.842 1
1 1171 . 7 1 1 A 106 106 SER HA H 106 4.347 4.409 -0.062 1
1 1172 . 7 1 1 A 106 106 SER CB C 106 64.133 63.666 0.467 1
1 1175 . 7 1 1 A 107 107 PRO CA C 107 62.344 62.414 -0.070 1
1 1176 . 7 1 1 A 107 107 PRO HA H 107 5.323 4.828 0.495 1
1 1177 . 7 1 1 A 107 107 PRO CB C 107 33.977 32.799 1.178 1
1 1183 . 7 1 1 A 107 107 PRO C C 107 176.003 174.882 1.121 1
1 1187 . 7 1 1 A 108 108 TYR N N 108 122.832 119.249 3.583 1
1 1188 . 7 1 1 A 108 108 TYR H H 108 9.294 8.934 0.360 1
1 1189 . 7 1 1 A 108 108 TYR CA C 108 57.629 57.153 0.476 1
1 1190 . 7 1 1 A 108 108 TYR HA H 108 4.428 4.975 -0.547 1
1 1191 . 7 1 1 A 108 108 TYR CB C 108 40.091 41.547 -1.456 1
1 1201 . 7 1 1 A 108 108 TYR C C 108 175.851 175.205 0.646 1
1 1203 . 7 1 1 A 109 109 ARG N N 109 122.941 121.077 1.864 1
1 1204 . 7 1 1 A 109 109 ARG H H 109 8.746 8.760 -0.014 1
1 1205 . 7 1 1 A 109 109 ARG CA C 109 55.259 55.090 0.169 1
1 1206 . 7 1 1 A 109 109 ARG HA H 109 5.189 5.042 0.147 1
1 1207 . 7 1 1 A 109 109 ARG CB C 109 30.879 31.806 -0.927 1
1 1213 . 7 1 1 A 109 109 ARG C C 109 175.522 175.399 0.123 1
1 1217 . 7 1 1 A 110 110 ILE N N 110 125.109 123.221 1.888 1
1 1218 . 7 1 1 A 110 110 ILE H H 110 8.742 8.447 0.295 1
1 1219 . 7 1 1 A 110 110 ILE CA C 110 57.577 59.599 -2.022 1
1 1220 . 7 1 1 A 110 110 ILE HA H 110 4.758 4.842 -0.084 1
1 1221 . 7 1 1 A 110 110 ILE CB C 110 41.138 42.310 -1.172 1
1 1233 . 7 1 1 A 110 110 ILE C C 110 175.121 174.771 0.350 1
1 1235 . 7 1 1 A 111 111 ARG N N 111 125.357 125.191 0.166 1
1 1236 . 7 1 1 A 111 111 ARG H H 111 8.776 8.806 -0.030 1
1 1237 . 7 1 1 A 111 111 ARG CA C 111 54.730 54.347 0.383 1
1 1238 . 7 1 1 A 111 111 ARG HA H 111 5.053 5.439 -0.386 1
1 1239 . 7 1 1 A 111 111 ARG CB C 111 32.685 32.280 0.405 1
1 1245 . 7 1 1 A 111 111 ARG C C 111 174.163 175.127 -0.964 1
1 1249 . 7 1 1 A 112 112 ALA N N 112 127.119 128.477 -1.358 1
1 1250 . 7 1 1 A 112 112 ALA H H 112 9.208 8.757 0.451 1
1 1251 . 7 1 1 A 112 112 ALA CA C 112 49.945 51.874 -1.929 1
1 1252 . 7 1 1 A 112 112 ALA HA H 112 5.851 4.792 1.059 1
1 1253 . 7 1 1 A 112 112 ALA CB C 112 21.329 19.648 1.681 1
1 1257 . 7 1 1 A 112 112 ALA C C 112 178.853 176.523 2.330 1
1 1258 . 7 1 1 A 113 113 THR N N 113 116.033 118.359 -2.326 1
1 1259 . 7 1 1 A 113 113 THR H H 113 8.995 8.550 0.445 1
1 1260 . 7 1 1 A 113 113 THR CA C 113 60.312 60.158 0.154 1
1 1261 . 7 1 1 A 113 113 THR HA H 113 4.695 4.847 -0.152 1
1 1262 . 7 1 1 A 113 113 THR CB C 113 71.251 71.065 0.186 1
1 1268 . 7 1 1 A 113 113 THR C C 113 173.710 173.549 0.161 1
1 1269 . 7 1 1 A 114 114 GLN N N 114 122.122 124.584 -2.462 1
1 1270 . 7 1 1 A 114 114 GLN H H 114 8.753 8.835 -0.082 1
1 1271 . 7 1 1 A 114 114 GLN CA C 114 55.817 56.993 -1.176 1
1 1272 . 7 1 1 A 114 114 GLN HA H 114 4.570 4.463 0.107 1
1 1273 . 7 1 1 A 114 114 GLN CB C 114 30.106 30.901 -0.795 1
1 1280 . 7 1 1 A 114 114 GLN C C 114 176.106 175.786 0.320 1
1 1283 . 7 1 1 A 115 115 THR N N 115 117.345 112.611 4.734 1
1 1284 . 7 1 1 A 115 115 THR H H 115 8.493 8.222 0.271 1
1 1285 . 7 1 1 A 115 115 THR CA C 115 62.328 62.970 -0.642 1
1 1286 . 7 1 1 A 115 115 THR HA H 115 4.351 3.916 0.435 1
1 1287 . 7 1 1 A 115 115 THR CB C 115 69.874 66.389 3.485 1
1 1293 . 7 1 1 A 115 115 THR C C 115 175.158 174.127 1.031 1
1 1294 . 7 1 1 A 116 116 GLY N N 116 111.927 108.221 3.706 1
1 1295 . 7 1 1 A 116 116 GLY H H 116 8.559 8.162 0.397 1
1 1296 . 7 1 1 A 116 116 GLY CA C 116 45.315 45.235 0.080 1
1 1297 . 7 1 1 A 116 116 GLY HA3 H 116 3.934 4.074 -0.140 1
1 1298 . 7 1 1 A 116 116 GLY C C 116 173.820 172.610 1.210 1
1 1299 . 7 1 1 A 116 116 GLY HA2 H 116 4.030 4.073 -0.043 1
1 1300 . 7 1 1 A 117 117 ASP N N 117 120.643 122.488 -1.845 1
1 1301 . 7 1 1 A 117 117 ASP H H 117 8.208 8.432 -0.224 1
1 1302 . 7 1 1 A 117 117 ASP CA C 117 54.393 53.220 1.173 1
1 1303 . 7 1 1 A 117 117 ASP HA H 117 4.615 5.394 -0.779 1
1 1304 . 7 1 1 A 117 117 ASP CB C 117 41.388 43.959 -2.571 1
1 1306 . 7 1 1 A 117 117 ASP C C 117 175.973 174.672 1.301 1
1 1308 . 7 1 1 A 118 118 ALA N N 118 124.934 121.032 3.902 1
1 1309 . 7 1 1 A 118 118 ALA H H 118 8.312 8.489 -0.177 1
1 1310 . 7 1 1 A 118 118 ALA CA C 118 52.447 51.406 1.041 1
1 1311 . 7 1 1 A 118 118 ALA HA H 118 4.415 4.839 -0.424 1
1 1312 . 7 1 1 A 118 118 ALA CB C 118 19.339 23.626 -4.287 1
1 1316 . 7 1 1 A 118 118 ALA C C 118 176.848 175.099 1.749 1
1 1 . 8 1 1 A 9 9 SER HA H 9 4.733 5.340 -0.607 1
1 2 . 8 1 1 A 10 10 PRO CA C 10 63.335 62.653 0.682 1
1 3 . 8 1 1 A 10 10 PRO HA H 10 4.399 4.877 -0.478 1
1 4 . 8 1 1 A 10 10 PRO CB C 10 31.938 33.458 -1.520 1
1 10 . 8 1 1 A 10 10 PRO C C 10 176.442 176.274 0.168 1
1 14 . 8 1 1 A 11 11 PHE N N 11 119.801 117.141 2.660 1
1 15 . 8 1 1 A 11 11 PHE H H 11 8.036 8.574 -0.538 1
1 16 . 8 1 1 A 11 11 PHE CA C 11 57.505 56.497 1.008 1
1 17 . 8 1 1 A 11 11 PHE HA H 11 4.606 5.170 -0.564 1
1 18 . 8 1 1 A 11 11 PHE CB C 11 39.592 41.493 -1.901 1
1 30 . 8 1 1 A 11 11 PHE C C 11 175.401 173.309 2.092 1
1 32 . 8 1 1 A 12 12 LYS N N 12 123.563 119.223 4.340 1
1 33 . 8 1 1 A 12 12 LYS H H 12 8.112 8.746 -0.634 1
1 34 . 8 1 1 A 12 12 LYS CA C 12 56.175 54.921 1.254 1
1 35 . 8 1 1 A 12 12 LYS HA H 12 4.322 4.796 -0.474 1
1 36 . 8 1 1 A 12 12 LYS CB C 12 33.352 34.778 -1.426 1
1 44 . 8 1 1 A 12 12 LYS C C 12 175.802 175.065 0.737 1
1 49 . 8 1 1 A 13 13 VAL N N 13 122.071 118.790 3.281 1
1 50 . 8 1 1 A 13 13 VAL H H 13 8.080 8.235 -0.155 1
1 51 . 8 1 1 A 13 13 VAL CA C 13 62.280 62.699 -0.419 1
1 52 . 8 1 1 A 13 13 VAL HA H 13 4.036 4.041 -0.005 1
1 53 . 8 1 1 A 13 13 VAL CB C 13 32.895 32.052 0.843 1
1 63 . 8 1 1 A 13 13 VAL C C 13 175.814 175.775 0.039 1
1 64 . 8 1 1 A 14 14 LYS N N 14 125.874 125.571 0.303 1
1 65 . 8 1 1 A 14 14 LYS H H 14 8.392 8.343 0.049 1
1 66 . 8 1 1 A 14 14 LYS CA C 14 56.250 56.387 -0.137 1
1 67 . 8 1 1 A 14 14 LYS HA H 14 4.322 4.308 0.014 1
1 68 . 8 1 1 A 14 14 LYS CB C 14 33.193 32.578 0.615 1
1 73 . 8 1 1 A 14 14 LYS C C 14 175.973 176.375 -0.402 1
1 75 . 8 1 1 A 15 15 VAL N N 15 123.129 120.143 2.986 1
1 76 . 8 1 1 A 15 15 VAL H H 15 8.204 8.743 -0.539 1
1 77 . 8 1 1 A 15 15 VAL CA C 15 62.033 58.849 3.184 1
1 78 . 8 1 1 A 15 15 VAL HA H 15 4.100 4.786 -0.686 1
1 79 . 8 1 1 A 15 15 VAL CB C 15 32.858 35.546 -2.688 1
1 89 . 8 1 1 A 15 15 VAL C C 15 175.717 175.091 0.626 1
1 90 . 8 1 1 A 16 16 LEU N N 16 127.971 125.034 2.937 1
1 91 . 8 1 1 A 16 16 LEU H H 16 8.378 8.460 -0.082 1
1 92 . 8 1 1 A 16 16 LEU CA C 16 52.885 53.953 -1.068 1
1 93 . 8 1 1 A 16 16 LEU HA H 16 4.624 4.299 0.325 1
1 94 . 8 1 1 A 16 16 LEU CB C 16 41.706 41.588 0.118 1
1 106 . 8 1 1 A 16 16 LEU C C 16 175.092 174.876 0.216 1
1 108 . 8 1 1 A 17 17 PRO CA C 17 62.704 62.306 0.398 1
1 109 . 8 1 1 A 17 17 PRO HA H 17 4.556 4.587 -0.031 1
1 110 . 8 1 1 A 17 17 PRO CB C 17 32.293 32.555 -0.262 1
1 116 . 8 1 1 A 17 17 PRO C C 17 177.319 176.675 0.644 1
1 120 . 8 1 1 A 18 18 THR N N 18 112.726 114.075 -1.349 1
1 121 . 8 1 1 A 18 18 THR H H 18 8.497 8.694 -0.197 1
1 122 . 8 1 1 A 18 18 THR CA C 18 62.335 64.099 -1.764 1
1 123 . 8 1 1 A 18 18 THR HA H 18 4.352 4.245 0.107 1
1 124 . 8 1 1 A 18 18 THR CB C 18 69.700 69.186 0.514 1
1 130 . 8 1 1 A 18 18 THR C C 18 173.418 174.859 -1.441 1
1 131 . 8 1 1 A 19 19 TYR N N 19 118.883 120.032 -1.149 1
1 132 . 8 1 1 A 19 19 TYR H H 19 7.244 7.670 -0.426 1
1 133 . 8 1 1 A 19 19 TYR CA C 19 55.270 57.991 -2.721 1
1 134 . 8 1 1 A 19 19 TYR HA H 19 5.404 4.531 0.873 1
1 135 . 8 1 1 A 19 19 TYR CB C 19 40.974 39.726 1.248 1
1 145 . 8 1 1 A 19 19 TYR C C 19 174.318 175.103 -0.785 1
1 147 . 8 1 1 A 20 20 ASP N N 20 118.193 120.154 -1.961 1
1 148 . 8 1 1 A 20 20 ASP H H 20 8.686 8.804 -0.118 1
1 149 . 8 1 1 A 20 20 ASP CA C 20 53.226 53.148 0.078 1
1 150 . 8 1 1 A 20 20 ASP HA H 20 4.539 5.183 -0.644 1
1 151 . 8 1 1 A 20 20 ASP CB C 20 41.490 44.248 -2.758 1
1 153 . 8 1 1 A 20 20 ASP C C 20 176.349 176.268 0.081 1
1 155 . 8 1 1 A 21 21 ALA N N 21 127.255 127.767 -0.512 1
1 156 . 8 1 1 A 21 21 ALA H H 21 9.404 9.136 0.268 1
1 157 . 8 1 1 A 21 21 ALA CA C 21 55.157 55.698 -0.541 1
1 158 . 8 1 1 A 21 21 ALA HA H 21 4.204 4.230 -0.026 1
1 159 . 8 1 1 A 21 21 ALA CB C 21 19.890 18.399 1.491 1
1 163 . 8 1 1 A 21 21 ALA C C 21 178.113 179.740 -1.627 1
1 164 . 8 1 1 A 22 22 SER N N 22 110.959 114.157 -3.198 1
1 165 . 8 1 1 A 22 22 SER H H 22 8.397 8.090 0.307 1
1 166 . 8 1 1 A 22 22 SER CA C 22 60.794 61.368 -0.574 1
1 167 . 8 1 1 A 22 22 SER HA H 22 4.363 4.273 0.090 1
1 168 . 8 1 1 A 22 22 SER CB C 22 62.850 63.161 -0.311 1
1 170 . 8 1 1 A 22 22 SER C C 22 175.425 175.604 -0.179 1
1 172 . 8 1 1 A 23 23 LYS N N 23 119.671 116.771 2.900 1
1 173 . 8 1 1 A 23 23 LYS H H 23 7.366 7.599 -0.233 1
1 174 . 8 1 1 A 23 23 LYS CA C 23 54.818 55.939 -1.121 1
1 175 . 8 1 1 A 23 23 LYS HA H 23 4.368 4.354 0.014 1
1 176 . 8 1 1 A 23 23 LYS CB C 23 33.063 32.562 0.501 1
1 184 . 8 1 1 A 23 23 LYS C C 23 176.544 174.768 1.776 1
1 189 . 8 1 1 A 24 24 VAL N N 24 123.377 120.294 3.083 1
1 190 . 8 1 1 A 24 24 VAL H H 24 7.392 7.622 -0.230 1
1 191 . 8 1 1 A 24 24 VAL CA C 24 62.722 61.235 1.487 1
1 192 . 8 1 1 A 24 24 VAL HA H 24 4.184 4.502 -0.318 1
1 193 . 8 1 1 A 24 24 VAL CB C 24 31.780 33.499 -1.719 1
1 203 . 8 1 1 A 24 24 VAL C C 24 175.644 175.388 0.256 1
1 204 . 8 1 1 A 25 25 THR N N 25 117.441 118.146 -0.705 1
1 205 . 8 1 1 A 25 25 THR H H 25 8.384 8.920 -0.536 1
1 206 . 8 1 1 A 25 25 THR CA C 25 59.858 59.377 0.481 1
1 207 . 8 1 1 A 25 25 THR HA H 25 4.784 5.287 -0.503 1
1 208 . 8 1 1 A 25 25 THR CB C 25 71.687 72.243 -0.556 1
1 214 . 8 1 1 A 25 25 THR C C 25 172.360 173.533 -1.173 1
1 215 . 8 1 1 A 26 26 ALA N N 26 123.956 124.360 -0.404 1
1 216 . 8 1 1 A 26 26 ALA H H 26 8.440 8.875 -0.435 1
1 217 . 8 1 1 A 26 26 ALA CA C 26 51.022 50.716 0.306 1
1 218 . 8 1 1 A 26 26 ALA HA H 26 5.575 5.498 0.077 1
1 219 . 8 1 1 A 26 26 ALA CB C 26 22.576 23.293 -0.717 1
1 223 . 8 1 1 A 26 26 ALA C C 26 176.301 175.628 0.673 1
1 224 . 8 1 1 A 27 27 SER N N 27 114.430 113.899 0.531 1
1 225 . 8 1 1 A 27 27 SER H H 27 9.021 8.983 0.038 1
1 226 . 8 1 1 A 27 27 SER CA C 27 57.771 56.526 1.245 1
1 227 . 8 1 1 A 27 27 SER HA H 27 4.745 5.187 -0.442 1
1 228 . 8 1 1 A 27 27 SER CB C 27 65.911 66.145 -0.234 1
1 230 . 8 1 1 A 27 27 SER C C 27 172.798 173.183 -0.385 1
1 232 . 8 1 1 A 28 28 GLY N N 28 108.618 107.802 0.816 1
1 233 . 8 1 1 A 28 28 GLY H H 28 8.516 8.497 0.019 1
1 234 . 8 1 1 A 28 28 GLY CA C 28 44.966 44.653 0.313 1
1 235 . 8 1 1 A 28 28 GLY HA3 H 28 4.102 4.323 -0.221 1
1 236 . 8 1 1 A 28 28 GLY C C 28 173.392 174.216 -0.824 1
1 237 . 8 1 1 A 28 28 GLY HA2 H 28 5.026 4.270 0.756 1
1 238 . 8 1 1 A 29 29 PRO CA C 29 65.446 65.009 0.437 1
1 239 . 8 1 1 A 29 29 PRO HA H 29 4.399 4.443 -0.044 1
1 240 . 8 1 1 A 29 29 PRO CB C 29 31.739 32.059 -0.320 1
1 246 . 8 1 1 A 29 29 PRO C C 29 179.804 178.581 1.223 1
1 250 . 8 1 1 A 30 30 GLY N N 30 103.199 105.971 -2.772 1
1 251 . 8 1 1 A 30 30 GLY H H 30 9.156 8.518 0.638 1
1 252 . 8 1 1 A 30 30 GLY CA C 30 46.458 47.124 -0.666 1
1 253 . 8 1 1 A 30 30 GLY HA3 H 30 3.331 4.303 -0.972 1
1 254 . 8 1 1 A 30 30 GLY C C 30 171.694 174.951 -3.257 1
1 255 . 8 1 1 A 30 30 GLY HA2 H 30 4.062 4.150 -0.088 1
1 256 . 8 1 1 A 31 31 LEU N N 31 116.112 119.810 -3.698 1
1 257 . 8 1 1 A 31 31 LEU H H 31 7.351 7.817 -0.466 1
1 258 . 8 1 1 A 31 31 LEU CA C 31 52.607 54.199 -1.592 1
1 259 . 8 1 1 A 31 31 LEU HA H 31 4.269 4.482 -0.213 1
1 260 . 8 1 1 A 31 31 LEU CB C 31 41.265 41.199 0.066 1
1 272 . 8 1 1 A 31 31 LEU C C 31 176.751 176.323 0.428 1
1 274 . 8 1 1 A 32 32 SER N N 32 114.056 117.782 -3.726 1
1 275 . 8 1 1 A 32 32 SER H H 32 6.986 7.551 -0.565 1
1 276 . 8 1 1 A 32 32 SER CA C 32 58.750 57.976 0.774 1
1 277 . 8 1 1 A 32 32 SER HA H 32 4.268 4.449 -0.181 1
1 278 . 8 1 1 A 32 32 SER CB C 32 64.571 63.781 0.790 1
1 280 . 8 1 1 A 32 32 SER C C 32 176.483 175.687 0.796 1
1 282 . 8 1 1 A 33 33 SER N N 33 123.249 122.884 0.365 1
1 283 . 8 1 1 A 33 33 SER H H 33 8.887 8.784 0.103 1
1 284 . 8 1 1 A 33 33 SER CA C 33 60.176 58.182 1.994 1
1 285 . 8 1 1 A 33 33 SER HA H 33 4.409 4.632 -0.223 1
1 286 . 8 1 1 A 33 33 SER CB C 33 63.098 62.931 0.167 1
1 288 . 8 1 1 A 33 33 SER C C 33 174.922 174.073 0.849 1
1 290 . 8 1 1 A 34 34 TYR N N 34 120.641 119.778 0.863 1
1 291 . 8 1 1 A 34 34 TYR H H 34 8.225 7.607 0.618 1
1 292 . 8 1 1 A 34 34 TYR CA C 34 58.266 58.658 -0.392 1
1 293 . 8 1 1 A 34 34 TYR HA H 34 4.622 4.649 -0.027 1
1 294 . 8 1 1 A 34 34 TYR CB C 34 38.478 40.806 -2.328 1
1 304 . 8 1 1 A 34 34 TYR C C 34 175.881 175.707 0.174 1
1 306 . 8 1 1 A 35 35 GLY N N 35 109.142 105.105 4.037 1
1 307 . 8 1 1 A 35 35 GLY H H 35 7.416 7.481 -0.065 1
1 308 . 8 1 1 A 35 35 GLY CA C 35 44.524 45.734 -1.210 1
1 309 . 8 1 1 A 35 35 GLY HA3 H 35 4.411 4.092 0.319 1
1 310 . 8 1 1 A 35 35 GLY C C 35 172.956 172.278 0.678 1
1 311 . 8 1 1 A 35 35 GLY HA2 H 35 4.324 4.090 0.234 1
1 312 . 8 1 1 A 36 36 VAL N N 36 116.841 120.949 -4.108 1
1 313 . 8 1 1 A 36 36 VAL H H 36 8.617 8.822 -0.205 1
1 314 . 8 1 1 A 36 36 VAL CA C 36 57.700 58.135 -0.435 1
1 315 . 8 1 1 A 36 36 VAL HA H 36 4.880 4.933 -0.053 1
1 316 . 8 1 1 A 36 36 VAL CB C 36 33.474 33.559 -0.085 1
1 326 . 8 1 1 A 36 36 VAL C C 36 173.489 173.841 -0.352 1
1 327 . 8 1 1 A 37 37 PRO CA C 37 62.200 62.335 -0.135 1
1 328 . 8 1 1 A 37 37 PRO HA H 37 4.646 4.655 -0.009 1
1 329 . 8 1 1 A 37 37 PRO CB C 37 31.876 32.048 -0.172 1
1 335 . 8 1 1 A 37 37 PRO C C 37 177.148 176.963 0.185 1
1 339 . 8 1 1 A 38 38 ALA N N 38 124.330 124.913 -0.583 1
1 340 . 8 1 1 A 38 38 ALA H H 38 8.591 8.128 0.463 1
1 341 . 8 1 1 A 38 38 ALA CA C 38 52.606 52.374 0.232 1
1 342 . 8 1 1 A 38 38 ALA HA H 38 4.189 4.253 -0.064 1
1 343 . 8 1 1 A 38 38 ALA CB C 38 18.928 19.899 -0.971 1
1 347 . 8 1 1 A 38 38 ALA C C 38 178.418 178.272 0.146 1
1 348 . 8 1 1 A 39 39 SER N N 39 109.435 115.572 -6.137 1
1 349 . 8 1 1 A 39 39 SER H H 39 8.687 8.795 -0.108 1
1 350 . 8 1 1 A 39 39 SER CA C 39 61.147 59.110 2.037 1
1 351 . 8 1 1 A 39 39 SER HA H 39 3.770 4.085 -0.315 1
1 352 . 8 1 1 A 39 39 SER CB C 39 62.322 61.673 0.649 1
1 354 . 8 1 1 A 39 39 SER C C 39 172.372 173.630 -1.258 1
1 356 . 8 1 1 A 40 40 LEU N N 40 121.668 121.110 0.558 1
1 357 . 8 1 1 A 40 40 LEU H H 40 6.981 7.758 -0.777 1
1 358 . 8 1 1 A 40 40 LEU CA C 40 51.707 51.011 0.696 1
1 359 . 8 1 1 A 40 40 LEU HA H 40 4.890 4.755 0.135 1
1 360 . 8 1 1 A 40 40 LEU CB C 40 43.441 45.708 -2.267 1
1 372 . 8 1 1 A 40 40 LEU C C 40 173.635 174.125 -0.490 1
1 374 . 8 1 1 A 41 41 PRO CA C 41 62.683 62.323 0.360 1
1 375 . 8 1 1 A 41 41 PRO HA H 41 4.490 4.638 -0.148 1
1 376 . 8 1 1 A 41 41 PRO CB C 41 31.415 30.958 0.457 1
1 382 . 8 1 1 A 41 41 PRO C C 41 175.540 175.186 0.354 1
1 386 . 8 1 1 A 42 42 VAL N N 42 124.505 122.599 1.906 1
1 387 . 8 1 1 A 42 42 VAL H H 42 8.917 7.766 1.151 1
1 388 . 8 1 1 A 42 42 VAL CA C 42 60.282 59.421 0.861 1
1 389 . 8 1 1 A 42 42 VAL HA H 42 4.408 4.651 -0.243 1
1 390 . 8 1 1 A 42 42 VAL CB C 42 34.522 34.673 -0.151 1
1 400 . 8 1 1 A 42 42 VAL C C 42 171.180 174.114 -2.934 1
1 401 . 8 1 1 A 43 43 ASP N N 43 121.538 126.321 -4.783 1
1 402 . 8 1 1 A 43 43 ASP H H 43 7.549 9.058 -1.509 1
1 403 . 8 1 1 A 43 43 ASP CA C 43 51.968 52.323 -0.355 1
1 404 . 8 1 1 A 43 43 ASP HA H 43 6.324 5.779 0.545 1
1 405 . 8 1 1 A 43 43 ASP CB C 43 44.949 44.797 0.152 1
1 407 . 8 1 1 A 43 43 ASP C C 43 177.711 174.926 2.785 1
1 409 . 8 1 1 A 44 44 PHE N N 44 112.517 117.737 -5.220 1
1 410 . 8 1 1 A 44 44 PHE H H 44 9.044 7.865 1.179 1
1 411 . 8 1 1 A 44 44 PHE CA C 44 57.658 54.880 2.778 1
1 412 . 8 1 1 A 44 44 PHE HA H 44 5.069 5.400 -0.331 1
1 413 . 8 1 1 A 44 44 PHE CB C 44 41.220 41.996 -0.776 1
1 425 . 8 1 1 A 44 44 PHE C C 44 171.679 173.756 -2.077 1
1 427 . 8 1 1 A 45 45 ALA N N 45 123.935 121.146 2.789 1
1 428 . 8 1 1 A 45 45 ALA H H 45 9.468 9.460 0.008 1
1 429 . 8 1 1 A 45 45 ALA CA C 45 50.855 50.473 0.382 1
1 430 . 8 1 1 A 45 45 ALA HA H 45 5.379 5.229 0.150 1
1 431 . 8 1 1 A 45 45 ALA CB C 45 22.496 21.989 0.507 1
1 435 . 8 1 1 A 45 45 ALA C C 45 176.715 175.779 0.936 1
1 436 . 8 1 1 A 46 46 ILE N N 46 119.530 123.881 -4.351 1
1 437 . 8 1 1 A 46 46 ILE H H 46 8.686 9.637 -0.951 1
1 438 . 8 1 1 A 46 46 ILE CA C 46 59.561 60.682 -1.121 1
1 439 . 8 1 1 A 46 46 ILE HA H 46 4.863 4.692 0.171 1
1 440 . 8 1 1 A 46 46 ILE CB C 46 41.370 38.030 3.340 1
1 452 . 8 1 1 A 46 46 ILE C C 46 174.379 174.335 0.044 1
1 454 . 8 1 1 A 47 47 ASP N N 47 127.143 127.987 -0.844 1
1 455 . 8 1 1 A 47 47 ASP H H 47 9.281 8.524 0.757 1
1 456 . 8 1 1 A 47 47 ASP CA C 47 53.297 52.479 0.818 1
1 457 . 8 1 1 A 47 47 ASP HA H 47 4.976 5.518 -0.542 1
1 458 . 8 1 1 A 47 47 ASP CB C 47 41.371 42.394 -1.023 1
1 460 . 8 1 1 A 47 47 ASP C C 47 174.962 174.824 0.138 1
1 462 . 8 1 1 A 48 48 ALA N N 48 129.371 127.287 2.084 1
1 463 . 8 1 1 A 48 48 ALA H H 48 9.078 8.137 0.941 1
1 464 . 8 1 1 A 48 48 ALA CA C 48 50.554 50.758 -0.204 1
1 465 . 8 1 1 A 48 48 ALA HA H 48 4.641 4.897 -0.256 1
1 466 . 8 1 1 A 48 48 ALA CB C 48 19.699 20.553 -0.854 1
1 470 . 8 1 1 A 48 48 ALA C C 48 179.317 176.583 2.734 1
1 471 . 8 1 1 A 49 49 ARG N N 49 122.060 124.541 -2.481 1
1 472 . 8 1 1 A 49 49 ARG H H 49 8.590 8.959 -0.369 1
1 473 . 8 1 1 A 49 49 ARG CA C 49 60.964 57.621 3.343 1
1 474 . 8 1 1 A 49 49 ARG HA H 49 3.987 4.489 -0.502 1
1 475 . 8 1 1 A 49 49 ARG CB C 49 30.654 31.203 -0.549 1
1 483 . 8 1 1 A 49 49 ARG C C 49 178.077 176.399 1.678 1
1 487 . 8 1 1 A 50 50 ASP N N 50 116.664 117.500 -0.836 1
1 488 . 8 1 1 A 50 50 ASP H H 50 8.794 7.942 0.852 1
1 489 . 8 1 1 A 50 50 ASP CA C 50 53.827 53.074 0.753 1
1 490 . 8 1 1 A 50 50 ASP HA H 50 5.040 4.848 0.192 1
1 491 . 8 1 1 A 50 50 ASP CB C 50 41.595 41.258 0.337 1
1 493 . 8 1 1 A 50 50 ASP C C 50 175.754 177.012 -1.258 1
1 495 . 8 1 1 A 51 51 ALA N N 51 121.173 122.522 -1.349 1
1 496 . 8 1 1 A 51 51 ALA H H 51 7.406 7.811 -0.405 1
1 497 . 8 1 1 A 51 51 ALA CA C 51 52.147 51.821 0.326 1
1 498 . 8 1 1 A 51 51 ALA HA H 51 4.414 4.578 -0.164 1
1 499 . 8 1 1 A 51 51 ALA CB C 51 23.427 19.608 3.819 1
1 503 . 8 1 1 A 51 51 ALA C C 51 176.763 178.206 -1.443 1
1 504 . 8 1 1 A 52 52 GLY N N 52 108.187 107.071 1.116 1
1 505 . 8 1 1 A 52 52 GLY H H 52 8.521 8.139 0.382 1
1 506 . 8 1 1 A 52 52 GLY CA C 52 45.210 46.019 -0.809 1
1 507 . 8 1 1 A 52 52 GLY HA3 H 52 3.859 4.044 -0.185 1
1 508 . 8 1 1 A 52 52 GLY C C 52 175.060 173.564 1.496 1
1 509 . 8 1 1 A 52 52 GLY HA2 H 52 4.492 3.996 0.496 1
1 510 . 8 1 1 A 53 53 GLU N N 53 124.810 123.325 1.485 1
1 511 . 8 1 1 A 53 53 GLU H H 53 8.643 8.654 -0.011 1
1 512 . 8 1 1 A 53 53 GLU CA C 53 56.352 55.458 0.894 1
1 513 . 8 1 1 A 53 53 GLU HA H 53 4.663 5.325 -0.662 1
1 514 . 8 1 1 A 53 53 GLU CB C 53 31.164 31.322 -0.158 1
1 518 . 8 1 1 A 53 53 GLU C C 53 173.491 176.253 -2.762 1
1 521 . 8 1 1 A 54 54 GLY N N 54 111.417 112.179 -0.762 1
1 522 . 8 1 1 A 54 54 GLY H H 54 7.465 8.536 -1.071 1
1 523 . 8 1 1 A 54 54 GLY CA C 54 43.622 44.060 -0.438 1
1 524 . 8 1 1 A 54 54 GLY HA3 H 54 2.287 3.715 -1.428 1
1 525 . 8 1 1 A 54 54 GLY C C 54 170.013 171.804 -1.791 1
1 526 . 8 1 1 A 54 54 GLY HA2 H 54 3.819 3.199 0.620 1
1 527 . 8 1 1 A 55 55 LEU N N 55 117.446 123.707 -6.261 1
1 528 . 8 1 1 A 55 55 LEU H H 55 7.461 7.825 -0.364 1
1 529 . 8 1 1 A 55 55 LEU CA C 55 54.041 55.600 -1.559 1
1 530 . 8 1 1 A 55 55 LEU HA H 55 4.293 4.046 0.247 1
1 531 . 8 1 1 A 55 55 LEU CB C 55 42.832 42.166 0.666 1
1 543 . 8 1 1 A 55 55 LEU C C 55 176.872 175.409 1.463 1
1 545 . 8 1 1 A 56 56 LEU N N 56 131.840 128.538 3.302 1
1 546 . 8 1 1 A 56 56 LEU H H 56 8.791 8.446 0.345 1
1 547 . 8 1 1 A 56 56 LEU CA C 56 53.807 53.974 -0.167 1
1 548 . 8 1 1 A 56 56 LEU HA H 56 5.053 4.906 0.147 1
1 549 . 8 1 1 A 56 56 LEU CB C 56 43.113 43.745 -0.632 1
1 561 . 8 1 1 A 56 56 LEU C C 56 175.389 175.516 -0.127 1
1 563 . 8 1 1 A 57 57 ALA N N 57 130.035 128.020 2.015 1
1 564 . 8 1 1 A 57 57 ALA H H 57 8.880 8.260 0.620 1
1 565 . 8 1 1 A 57 57 ALA CA C 57 51.758 50.857 0.901 1
1 566 . 8 1 1 A 57 57 ALA HA H 57 4.641 5.131 -0.490 1
1 567 . 8 1 1 A 57 57 ALA CB C 57 21.820 23.332 -1.512 1
1 571 . 8 1 1 A 57 57 ALA C C 57 174.647 176.003 -1.356 1
1 572 . 8 1 1 A 58 58 VAL N N 58 120.958 120.866 0.092 1
1 573 . 8 1 1 A 58 58 VAL H H 58 8.443 8.770 -0.327 1
1 574 . 8 1 1 A 58 58 VAL CA C 58 60.495 61.440 -0.945 1
1 575 . 8 1 1 A 58 58 VAL HA H 58 4.988 4.607 0.381 1
1 576 . 8 1 1 A 58 58 VAL CB C 58 34.639 33.457 1.182 1
1 586 . 8 1 1 A 58 58 VAL C C 58 174.646 174.848 -0.202 1
1 587 . 8 1 1 A 59 59 GLN N N 59 127.048 126.541 0.507 1
1 588 . 8 1 1 A 59 59 GLN H H 59 9.196 8.933 0.263 1
1 589 . 8 1 1 A 59 59 GLN CA C 59 54.587 54.864 -0.277 1
1 590 . 8 1 1 A 59 59 GLN HA H 59 4.706 4.780 -0.074 1
1 591 . 8 1 1 A 59 59 GLN CB C 59 31.580 29.481 2.099 1
1 598 . 8 1 1 A 59 59 GLN C C 59 174.197 174.784 -0.587 1
1 601 . 8 1 1 A 60 60 ILE N N 60 127.617 125.834 1.783 1
1 602 . 8 1 1 A 60 60 ILE H H 60 9.299 9.093 0.206 1
1 603 . 8 1 1 A 60 60 ILE CA C 60 60.506 60.205 0.301 1
1 604 . 8 1 1 A 60 60 ILE HA H 60 5.210 4.929 0.281 1
1 605 . 8 1 1 A 60 60 ILE CB C 60 39.172 39.883 -0.711 1
1 617 . 8 1 1 A 60 60 ILE C C 60 175.608 175.150 0.458 1
1 619 . 8 1 1 A 61 61 THR N N 61 119.733 117.679 2.054 1
1 620 . 8 1 1 A 61 61 THR H H 61 8.924 8.931 -0.007 1
1 621 . 8 1 1 A 61 61 THR CA C 61 59.565 59.402 0.163 1
1 622 . 8 1 1 A 61 61 THR HA H 61 5.173 5.675 -0.502 1
1 623 . 8 1 1 A 61 61 THR CB C 61 72.121 71.959 0.162 1
1 629 . 8 1 1 A 61 61 THR C C 61 174.051 173.825 0.226 1
1 630 . 8 1 1 A 62 62 ASP N N 62 122.337 120.458 1.879 1
1 631 . 8 1 1 A 62 62 ASP H H 62 8.484 8.336 0.148 1
1 632 . 8 1 1 A 62 62 ASP CA C 62 52.200 51.483 0.717 1
1 633 . 8 1 1 A 62 62 ASP HA H 62 4.425 4.617 -0.192 1
1 634 . 8 1 1 A 62 62 ASP CB C 62 42.222 42.169 0.053 1
1 636 . 8 1 1 A 62 62 ASP C C 62 179.086 178.041 1.045 1
1 638 . 8 1 1 A 63 63 GLN N N 63 118.341 117.674 0.667 1
1 639 . 8 1 1 A 63 63 GLN H H 63 8.250 8.755 -0.505 1
1 640 . 8 1 1 A 63 63 GLN CA C 63 58.406 58.410 -0.004 1
1 641 . 8 1 1 A 63 63 GLN HA H 63 4.049 4.050 -0.001 1
1 642 . 8 1 1 A 63 63 GLN CB C 63 28.127 27.935 0.192 1
1 649 . 8 1 1 A 63 63 GLN C C 63 177.152 178.160 -1.008 1
1 652 . 8 1 1 A 64 64 GLU N N 64 119.134 118.947 0.187 1
1 653 . 8 1 1 A 64 64 GLU H H 64 8.120 7.875 0.245 1
1 654 . 8 1 1 A 64 64 GLU CA C 64 55.790 56.892 -1.102 1
1 655 . 8 1 1 A 64 64 GLU HA H 64 4.423 4.359 0.064 1
1 656 . 8 1 1 A 64 64 GLU CB C 64 30.102 30.333 -0.231 1
1 660 . 8 1 1 A 64 64 GLU C C 64 176.374 176.673 -0.299 1
1 663 . 8 1 1 A 65 65 GLY N N 65 108.728 107.939 0.789 1
1 664 . 8 1 1 A 65 65 GLY H H 65 8.306 8.166 0.140 1
1 665 . 8 1 1 A 65 65 GLY CA C 65 45.285 46.131 -0.846 1
1 666 . 8 1 1 A 65 65 GLY HA3 H 65 3.561 3.957 -0.396 1
1 667 . 8 1 1 A 65 65 GLY C C 65 174.342 174.363 -0.021 1
1 668 . 8 1 1 A 65 65 GLY HA2 H 65 4.203 3.957 0.246 1
1 669 . 8 1 1 A 66 66 LYS N N 66 123.502 119.532 3.970 1
1 670 . 8 1 1 A 66 66 LYS H H 66 8.528 8.219 0.309 1
1 671 . 8 1 1 A 66 66 LYS CA C 66 53.738 53.195 0.543 1
1 672 . 8 1 1 A 66 66 LYS HA H 66 4.613 4.763 -0.150 1
1 673 . 8 1 1 A 66 66 LYS CB C 66 31.167 32.849 -1.682 1
1 681 . 8 1 1 A 66 66 LYS C C 66 174.752 174.174 0.578 1
1 686 . 8 1 1 A 67 67 PRO CA C 67 62.433 62.678 -0.245 1
1 687 . 8 1 1 A 67 67 PRO HA H 67 5.062 4.696 0.366 1
1 688 . 8 1 1 A 67 67 PRO CB C 67 32.725 31.979 0.746 1
1 694 . 8 1 1 A 67 67 PRO C C 67 177.270 176.027 1.243 1
1 698 . 8 1 1 A 68 68 LYS N N 68 121.461 121.506 -0.045 1
1 699 . 8 1 1 A 68 68 LYS H H 68 8.419 8.112 0.307 1
1 700 . 8 1 1 A 68 68 LYS CA C 68 52.023 54.713 -2.690 1
1 701 . 8 1 1 A 68 68 LYS HA H 68 4.797 4.904 -0.107 1
1 702 . 8 1 1 A 68 68 LYS CB C 68 32.611 35.488 -2.877 1
1 710 . 8 1 1 A 68 68 LYS C C 68 175.389 175.239 0.150 1
1 715 . 8 1 1 A 69 69 ARG N N 69 124.040 122.638 1.402 1
1 716 . 8 1 1 A 69 69 ARG H H 69 8.683 8.534 0.149 1
1 717 . 8 1 1 A 69 69 ARG CA C 69 57.045 56.594 0.451 1
1 718 . 8 1 1 A 69 69 ARG HA H 69 4.221 4.607 -0.386 1
1 719 . 8 1 1 A 69 69 ARG CB C 69 30.712 30.720 -0.008 1
1 725 . 8 1 1 A 69 69 ARG C C 69 174.877 175.217 -0.340 1
1 729 . 8 1 1 A 70 70 ALA N N 70 127.074 127.562 -0.488 1
1 730 . 8 1 1 A 70 70 ALA H H 70 8.421 8.582 -0.161 1
1 731 . 8 1 1 A 70 70 ALA CA C 70 50.360 50.862 -0.502 1
1 732 . 8 1 1 A 70 70 ALA HA H 70 4.859 5.170 -0.311 1
1 733 . 8 1 1 A 70 70 ALA CB C 70 20.569 22.379 -1.810 1
1 737 . 8 1 1 A 70 70 ALA C C 70 176.313 175.480 0.833 1
1 738 . 8 1 1 A 71 71 ILE N N 71 124.496 122.710 1.786 1
1 739 . 8 1 1 A 71 71 ILE H H 71 8.943 9.377 -0.434 1
1 740 . 8 1 1 A 71 71 ILE CA C 71 60.870 60.234 0.636 1
1 741 . 8 1 1 A 71 71 ILE HA H 71 4.195 4.718 -0.523 1
1 742 . 8 1 1 A 71 71 ILE CB C 71 38.457 39.578 -1.121 1
1 754 . 8 1 1 A 71 71 ILE C C 71 175.027 175.544 -0.517 1
1 756 . 8 1 1 A 72 72 VAL N N 72 128.410 126.520 1.890 1
1 757 . 8 1 1 A 72 72 VAL H H 72 8.714 8.751 -0.037 1
1 758 . 8 1 1 A 72 72 VAL CA C 72 61.867 60.873 0.994 1
1 759 . 8 1 1 A 72 72 VAL HA H 72 4.478 4.702 -0.224 1
1 760 . 8 1 1 A 72 72 VAL CB C 72 32.745 33.332 -0.587 1
1 770 . 8 1 1 A 72 72 VAL C C 72 175.279 174.293 0.986 1
1 771 . 8 1 1 A 73 73 HIS N N 73 129.084 127.806 1.278 1
1 772 . 8 1 1 A 73 73 HIS H H 73 9.783 9.146 0.637 1
1 773 . 8 1 1 A 73 73 HIS CA C 73 55.366 54.107 1.259 1
1 774 . 8 1 1 A 73 73 HIS HA H 73 4.849 5.282 -0.433 1
1 775 . 8 1 1 A 73 73 HIS CB C 73 31.465 33.293 -1.828 1
1 781 . 8 1 1 A 73 73 HIS C C 73 173.491 173.023 0.468 1
1 783 . 8 1 1 A 74 74 ASP N N 74 127.118 126.435 0.683 1
1 784 . 8 1 1 A 74 74 ASP H H 74 8.541 9.102 -0.561 1
1 785 . 8 1 1 A 74 74 ASP CA C 74 53.048 53.440 -0.392 1
1 786 . 8 1 1 A 74 74 ASP HA H 74 4.476 5.324 -0.848 1
1 787 . 8 1 1 A 74 74 ASP CB C 74 41.554 43.259 -1.705 1
1 789 . 8 1 1 A 74 74 ASP C C 74 175.936 175.888 0.048 1
1 791 . 8 1 1 A 75 75 ASN N N 75 124.002 122.494 1.508 1
1 792 . 8 1 1 A 75 75 ASN H H 75 7.827 8.787 -0.960 1
1 793 . 8 1 1 A 75 75 ASN CA C 75 54.517 53.117 1.400 1
1 794 . 8 1 1 A 75 75 ASN HA H 75 4.572 4.877 -0.305 1
1 795 . 8 1 1 A 75 75 ASN CB C 75 38.091 39.726 -1.635 1
1 800 . 8 1 1 A 75 75 ASN C C 75 175.352 174.869 0.483 1
1 802 . 8 1 1 A 76 76 LYS N N 76 114.689 115.340 -0.651 1
1 803 . 8 1 1 A 76 76 LYS H H 76 9.246 7.708 1.538 1
1 804 . 8 1 1 A 76 76 LYS CA C 76 57.428 57.173 0.255 1
1 805 . 8 1 1 A 76 76 LYS HA H 76 3.882 3.928 -0.046 1
1 806 . 8 1 1 A 76 76 LYS CB C 76 28.223 28.987 -0.764 1
1 814 . 8 1 1 A 76 76 LYS C C 76 174.975 174.751 0.224 1
1 819 . 8 1 1 A 77 77 ASP N N 77 117.462 118.897 -1.435 1
1 820 . 8 1 1 A 77 77 ASP H H 77 7.831 7.881 -0.050 1
1 821 . 8 1 1 A 77 77 ASP CA C 77 52.168 52.969 -0.801 1
1 822 . 8 1 1 A 77 77 ASP HA H 77 4.706 4.795 -0.089 1
1 823 . 8 1 1 A 77 77 ASP CB C 77 41.224 41.085 0.139 1
1 825 . 8 1 1 A 77 77 ASP C C 77 176.739 176.108 0.631 1
1 827 . 8 1 1 A 78 78 GLY N N 78 109.485 108.007 1.478 1
1 828 . 8 1 1 A 78 78 GLY H H 78 8.658 8.541 0.117 1
1 829 . 8 1 1 A 78 78 GLY CA C 78 45.568 45.551 0.017 1
1 830 . 8 1 1 A 78 78 GLY HA3 H 78 3.698 3.862 -0.164 1
1 831 . 8 1 1 A 78 78 GLY C C 78 172.263 173.400 -1.137 1
1 832 . 8 1 1 A 78 78 GLY HA2 H 78 4.323 3.855 0.468 1
1 833 . 8 1 1 A 79 79 THR N N 79 109.462 109.965 -0.503 1
1 834 . 8 1 1 A 79 79 THR H H 79 8.057 7.254 0.803 1
1 835 . 8 1 1 A 79 79 THR CA C 79 59.989 59.471 0.518 1
1 836 . 8 1 1 A 79 79 THR HA H 79 5.566 5.263 0.303 1
1 837 . 8 1 1 A 79 79 THR CB C 79 72.712 72.789 -0.077 1
1 843 . 8 1 1 A 79 79 THR C C 79 173.868 172.136 1.732 1
1 844 . 8 1 1 A 80 80 TYR N N 80 116.428 119.465 -3.037 1
1 845 . 8 1 1 A 80 80 TYR H H 80 9.085 8.600 0.485 1
1 846 . 8 1 1 A 80 80 TYR CA C 80 56.533 56.437 0.096 1
1 847 . 8 1 1 A 80 80 TYR HA H 80 5.372 5.070 0.302 1
1 848 . 8 1 1 A 80 80 TYR CB C 80 42.831 42.743 0.088 1
1 858 . 8 1 1 A 80 80 TYR C C 80 175.327 174.529 0.798 1
1 860 . 8 1 1 A 81 81 ALA N N 81 126.743 125.277 1.466 1
1 861 . 8 1 1 A 81 81 ALA H H 81 9.302 8.878 0.424 1
1 862 . 8 1 1 A 81 81 ALA CA C 81 51.121 49.831 1.290 1
1 863 . 8 1 1 A 81 81 ALA HA H 81 5.149 5.507 -0.358 1
1 864 . 8 1 1 A 81 81 ALA CB C 81 22.111 22.881 -0.770 1
1 868 . 8 1 1 A 81 81 ALA C C 81 175.505 175.721 -0.216 1
1 869 . 8 1 1 A 82 82 VAL N N 82 124.472 120.795 3.677 1
1 870 . 8 1 1 A 82 82 VAL H H 82 8.940 7.825 1.115 1
1 871 . 8 1 1 A 82 82 VAL CA C 82 60.264 60.957 -0.693 1
1 872 . 8 1 1 A 82 82 VAL HA H 82 5.039 4.734 0.305 1
1 873 . 8 1 1 A 82 82 VAL CB C 82 33.236 34.364 -1.128 1
1 883 . 8 1 1 A 82 82 VAL C C 82 174.517 174.531 -0.014 1
1 884 . 8 1 1 A 83 83 THR N N 83 121.500 122.888 -1.388 1
1 885 . 8 1 1 A 83 83 THR H H 83 8.717 8.539 0.178 1
1 886 . 8 1 1 A 83 83 THR CA C 83 61.075 62.365 -1.290 1
1 887 . 8 1 1 A 83 83 THR HA H 83 5.497 5.154 0.343 1
1 888 . 8 1 1 A 83 83 THR CB C 83 72.153 70.748 1.405 1
1 894 . 8 1 1 A 83 83 THR C C 83 173.515 173.562 -0.047 1
1 895 . 8 1 1 A 84 84 TYR N N 84 122.841 121.122 1.719 1
1 896 . 8 1 1 A 84 84 TYR H H 84 9.014 8.699 0.315 1
1 897 . 8 1 1 A 84 84 TYR CA C 84 55.985 55.839 0.146 1
1 898 . 8 1 1 A 84 84 TYR HA H 84 4.979 5.379 -0.400 1
1 899 . 8 1 1 A 84 84 TYR CB C 84 41.967 41.824 0.143 1
1 909 . 8 1 1 A 84 84 TYR C C 84 171.873 173.047 -1.174 1
1 911 . 8 1 1 A 85 85 ILE N N 85 118.254 123.175 -4.921 1
1 912 . 8 1 1 A 85 85 ILE H H 85 8.805 8.933 -0.128 1
1 913 . 8 1 1 A 85 85 ILE CA C 85 57.883 58.099 -0.216 1
1 914 . 8 1 1 A 85 85 ILE HA H 85 4.550 4.532 0.018 1
1 915 . 8 1 1 A 85 85 ILE CB C 85 40.179 39.085 1.094 1
1 927 . 8 1 1 A 85 85 ILE C C 85 174.339 174.686 -0.347 1
1 929 . 8 1 1 A 86 86 PRO CA C 86 61.414 62.671 -1.257 1
1 930 . 8 1 1 A 86 86 PRO HA H 86 4.436 4.702 -0.266 1
1 931 . 8 1 1 A 86 86 PRO CB C 86 30.107 31.698 -1.591 1
1 937 . 8 1 1 A 86 86 PRO C C 86 175.126 177.298 -2.172 1
1 941 . 8 1 1 A 87 87 ASP N N 87 123.447 125.405 -1.958 1
1 942 . 8 1 1 A 87 87 ASP H H 87 8.501 9.009 -0.508 1
1 943 . 8 1 1 A 87 87 ASP CA C 87 55.668 56.720 -1.052 1
1 944 . 8 1 1 A 87 87 ASP HA H 87 4.263 4.646 -0.383 1
1 945 . 8 1 1 A 87 87 ASP CB C 87 40.930 41.494 -0.564 1
1 947 . 8 1 1 A 87 87 ASP C C 87 175.182 176.401 -1.219 1
1 949 . 8 1 1 A 88 88 LYS N N 88 116.947 118.954 -2.007 1
1 950 . 8 1 1 A 88 88 LYS H H 88 7.683 7.897 -0.214 1
1 951 . 8 1 1 A 88 88 LYS CA C 88 54.995 55.077 -0.082 1
1 952 . 8 1 1 A 88 88 LYS HA H 88 4.588 4.468 0.120 1
1 953 . 8 1 1 A 88 88 LYS CB C 88 34.821 31.671 3.150 1
1 961 . 8 1 1 A 88 88 LYS C C 88 177.529 175.973 1.556 1
1 966 . 8 1 1 A 89 89 THR N N 89 114.134 118.727 -4.593 1
1 967 . 8 1 1 A 89 89 THR H H 89 8.588 8.288 0.300 1
1 968 . 8 1 1 A 89 89 THR CA C 89 62.828 62.512 0.316 1
1 969 . 8 1 1 A 89 89 THR HA H 89 4.083 4.327 -0.244 1
1 970 . 8 1 1 A 89 89 THR CB C 89 69.590 69.450 0.140 1
1 976 . 8 1 1 A 89 89 THR C C 89 174.269 174.395 -0.126 1
1 977 . 8 1 1 A 90 90 GLY N N 90 109.440 108.543 0.897 1
1 978 . 8 1 1 A 90 90 GLY H H 90 8.444 8.702 -0.258 1
1 979 . 8 1 1 A 90 90 GLY CA C 90 44.648 44.677 -0.029 1
1 980 . 8 1 1 A 90 90 GLY HA3 H 90 4.467 4.198 0.269 1
1 981 . 8 1 1 A 90 90 GLY C C 90 172.469 172.076 0.393 1
1 982 . 8 1 1 A 90 90 GLY HA2 H 90 3.908 4.124 -0.216 1
1 983 . 8 1 1 A 91 91 ARG N N 91 120.781 122.360 -1.579 1
1 984 . 8 1 1 A 91 91 ARG H H 91 8.271 8.254 0.017 1
1 985 . 8 1 1 A 91 91 ARG CA C 91 56.178 56.106 0.072 1
1 986 . 8 1 1 A 91 91 ARG HA H 91 4.951 4.533 0.418 1
1 987 . 8 1 1 A 91 91 ARG CB C 91 31.986 31.328 0.658 1
1 993 . 8 1 1 A 91 91 ARG C C 91 175.711 174.748 0.963 1
1 997 . 8 1 1 A 92 92 TYR N N 92 122.381 125.087 -2.706 1
1 998 . 8 1 1 A 92 92 TYR H H 92 9.312 9.025 0.287 1
1 999 . 8 1 1 A 92 92 TYR CA C 92 56.886 56.577 0.309 1
1 1000 . 8 1 1 A 92 92 TYR HA H 92 4.960 5.132 -0.172 1
1 1001 . 8 1 1 A 92 92 TYR CB C 92 41.223 40.473 0.750 1
1 1011 . 8 1 1 A 92 92 TYR C C 92 174.902 174.273 0.629 1
1 1013 . 8 1 1 A 93 93 MET N N 93 121.210 124.743 -3.533 1
1 1014 . 8 1 1 A 93 93 MET H H 93 8.819 8.728 0.091 1
1 1015 . 8 1 1 A 93 93 MET CA C 93 53.745 53.848 -0.103 1
1 1016 . 8 1 1 A 93 93 MET HA H 93 5.346 5.411 -0.065 1
1 1017 . 8 1 1 A 93 93 MET CB C 93 34.220 35.550 -1.330 1
1 1025 . 8 1 1 A 93 93 MET C C 93 175.365 175.183 0.182 1
1 1028 . 8 1 1 A 94 94 ILE N N 94 125.747 126.345 -0.598 1
1 1029 . 8 1 1 A 94 94 ILE H H 94 9.372 8.608 0.764 1
1 1030 . 8 1 1 A 94 94 ILE CA C 94 60.685 59.717 0.968 1
1 1031 . 8 1 1 A 94 94 ILE HA H 94 4.606 5.073 -0.467 1
1 1032 . 8 1 1 A 94 94 ILE CB C 94 39.188 40.965 -1.777 1
1 1044 . 8 1 1 A 94 94 ILE C C 94 174.987 175.024 -0.037 1
1 1046 . 8 1 1 A 95 95 GLY N N 95 116.553 114.753 1.800 1
1 1047 . 8 1 1 A 95 95 GLY H H 95 9.509 8.865 0.644 1
1 1048 . 8 1 1 A 95 95 GLY CA C 95 44.507 45.360 -0.853 1
1 1049 . 8 1 1 A 95 95 GLY HA3 H 95 3.605 4.188 -0.583 1
1 1050 . 8 1 1 A 95 95 GLY C C 95 173.175 171.921 1.254 1
1 1051 . 8 1 1 A 95 95 GLY HA2 H 95 4.606 4.166 0.440 1
1 1052 . 8 1 1 A 96 96 VAL N N 96 127.036 127.977 -0.941 1
1 1053 . 8 1 1 A 96 96 VAL H H 96 9.299 8.869 0.430 1
1 1054 . 8 1 1 A 96 96 VAL CA C 96 61.308 62.450 -1.142 1
1 1055 . 8 1 1 A 96 96 VAL HA H 96 4.889 4.431 0.458 1
1 1056 . 8 1 1 A 96 96 VAL CB C 96 34.145 32.342 1.803 1
1 1066 . 8 1 1 A 96 96 VAL C C 96 174.354 175.201 -0.847 1
1 1067 . 8 1 1 A 97 97 THR N N 97 115.219 116.468 -1.249 1
1 1068 . 8 1 1 A 97 97 THR H H 97 9.018 8.633 0.385 1
1 1069 . 8 1 1 A 97 97 THR CA C 97 57.826 60.671 -2.845 1
1 1070 . 8 1 1 A 97 97 THR HA H 97 5.265 5.075 0.190 1
1 1071 . 8 1 1 A 97 97 THR CB C 97 72.753 71.870 0.883 1
1 1077 . 8 1 1 A 97 97 THR C C 97 173.175 172.432 0.743 1
1 1078 . 8 1 1 A 98 98 TYR N N 98 122.768 123.186 -0.418 1
1 1079 . 8 1 1 A 98 98 TYR H H 98 9.149 9.391 -0.242 1
1 1080 . 8 1 1 A 98 98 TYR CA C 98 57.488 57.354 0.134 1
1 1081 . 8 1 1 A 98 98 TYR HA H 98 5.077 5.186 -0.109 1
1 1082 . 8 1 1 A 98 98 TYR CB C 98 43.122 41.446 1.676 1
1 1092 . 8 1 1 A 98 98 TYR C C 98 175.949 175.487 0.462 1
1 1094 . 8 1 1 A 99 99 GLY N N 99 113.994 115.154 -1.160 1
1 1095 . 8 1 1 A 99 99 GLY H H 99 8.402 8.946 -0.544 1
1 1096 . 8 1 1 A 99 99 GLY CA C 99 45.010 46.499 -1.489 1
1 1097 . 8 1 1 A 99 99 GLY HA3 H 99 2.623 3.438 -0.815 1
1 1098 . 8 1 1 A 99 99 GLY C C 99 174.197 175.292 -1.095 1
1 1099 . 8 1 1 A 99 99 GLY HA2 H 99 3.220 3.124 0.096 1
1 1100 . 8 1 1 A 100 100 GLY N N 100 103.115 106.191 -3.076 1
1 1101 . 8 1 1 A 100 100 GLY H H 100 8.288 8.569 -0.281 1
1 1102 . 8 1 1 A 100 100 GLY CA C 100 44.170 46.138 -1.968 1
1 1103 . 8 1 1 A 100 100 GLY HA3 H 100 4.265 3.886 0.379 1
1 1104 . 8 1 1 A 100 100 GLY C C 100 173.054 173.389 -0.335 1
1 1105 . 8 1 1 A 100 100 GLY HA2 H 100 3.284 3.873 -0.589 1
1 1106 . 8 1 1 A 101 101 ASP N N 101 120.566 119.544 1.022 1
1 1107 . 8 1 1 A 101 101 ASP H H 101 7.245 7.910 -0.665 1
1 1108 . 8 1 1 A 101 101 ASP CA C 101 52.908 53.198 -0.290 1
1 1109 . 8 1 1 A 101 101 ASP HA H 101 5.012 5.142 -0.130 1
1 1110 . 8 1 1 A 101 101 ASP CB C 101 42.831 44.188 -1.357 1
1 1112 . 8 1 1 A 101 101 ASP C C 101 175.182 175.358 -0.176 1
1 1114 . 8 1 1 A 102 102 ASP N N 102 122.668 125.360 -2.692 1
1 1115 . 8 1 1 A 102 102 ASP H H 102 8.597 8.939 -0.342 1
1 1116 . 8 1 1 A 102 102 ASP CA C 102 56.233 53.891 2.342 1
1 1117 . 8 1 1 A 102 102 ASP HA H 102 4.667 4.926 -0.259 1
1 1118 . 8 1 1 A 102 102 ASP CB C 102 42.373 41.684 0.689 1
1 1120 . 8 1 1 A 102 102 ASP C C 102 176.970 176.225 0.745 1
1 1122 . 8 1 1 A 103 103 ILE N N 103 117.672 117.627 0.045 1
1 1123 . 8 1 1 A 103 103 ILE H H 103 7.887 8.856 -0.969 1
1 1124 . 8 1 1 A 103 103 ILE CA C 103 61.025 59.383 1.642 1
1 1125 . 8 1 1 A 103 103 ILE HA H 103 4.526 4.705 -0.179 1
1 1126 . 8 1 1 A 103 103 ILE CB C 103 35.534 37.904 -2.370 1
1 1138 . 8 1 1 A 103 103 ILE C C 103 173.902 176.495 -2.593 1
1 1140 . 8 1 1 A 104 104 PRO CA C 104 66.456 64.208 2.248 1
1 1141 . 8 1 1 A 104 104 PRO HA H 104 4.177 4.542 -0.365 1
1 1142 . 8 1 1 A 104 104 PRO CB C 104 31.709 31.629 0.080 1
1 1151 . 8 1 1 A 105 105 LEU N N 105 115.386 117.814 -2.428 1
1 1152 . 8 1 1 A 105 105 LEU H H 105 8.464 7.972 0.492 1
1 1153 . 8 1 1 A 105 105 LEU CA C 105 55.294 56.341 -1.047 1
1 1154 . 8 1 1 A 105 105 LEU HA H 105 3.845 4.255 -0.410 1
1 1155 . 8 1 1 A 105 105 LEU CB C 105 39.148 43.086 -3.938 1
1 1168 . 8 1 1 A 106 106 SER N N 106 111.669 113.460 -1.791 1
1 1169 . 8 1 1 A 106 106 SER H H 106 7.338 7.635 -0.297 1
1 1170 . 8 1 1 A 106 106 SER CA C 106 54.750 56.925 -2.175 1
1 1171 . 8 1 1 A 106 106 SER HA H 106 4.347 4.842 -0.495 1
1 1172 . 8 1 1 A 106 106 SER CB C 106 64.133 63.540 0.593 1
1 1175 . 8 1 1 A 107 107 PRO CA C 107 62.344 62.476 -0.132 1
1 1176 . 8 1 1 A 107 107 PRO HA H 107 5.323 4.915 0.408 1
1 1177 . 8 1 1 A 107 107 PRO CB C 107 33.977 32.888 1.089 1
1 1183 . 8 1 1 A 107 107 PRO C C 107 176.003 174.796 1.207 1
1 1187 . 8 1 1 A 108 108 TYR N N 108 122.832 119.341 3.491 1
1 1188 . 8 1 1 A 108 108 TYR H H 108 9.294 8.436 0.858 1
1 1189 . 8 1 1 A 108 108 TYR CA C 108 57.629 56.621 1.008 1
1 1190 . 8 1 1 A 108 108 TYR HA H 108 4.428 4.991 -0.563 1
1 1191 . 8 1 1 A 108 108 TYR CB C 108 40.091 41.749 -1.658 1
1 1201 . 8 1 1 A 108 108 TYR C C 108 175.851 175.094 0.757 1
1 1203 . 8 1 1 A 109 109 ARG N N 109 122.941 122.770 0.171 1
1 1204 . 8 1 1 A 109 109 ARG H H 109 8.746 8.796 -0.050 1
1 1205 . 8 1 1 A 109 109 ARG CA C 109 55.259 56.009 -0.750 1
1 1206 . 8 1 1 A 109 109 ARG HA H 109 5.189 4.785 0.404 1
1 1207 . 8 1 1 A 109 109 ARG CB C 109 30.879 31.213 -0.334 1
1 1213 . 8 1 1 A 109 109 ARG C C 109 175.522 175.631 -0.109 1
1 1217 . 8 1 1 A 110 110 ILE N N 110 125.109 124.020 1.089 1
1 1218 . 8 1 1 A 110 110 ILE H H 110 8.742 8.362 0.380 1
1 1219 . 8 1 1 A 110 110 ILE CA C 110 57.577 59.541 -1.964 1
1 1220 . 8 1 1 A 110 110 ILE HA H 110 4.758 4.877 -0.119 1
1 1221 . 8 1 1 A 110 110 ILE CB C 110 41.138 42.377 -1.239 1
1 1233 . 8 1 1 A 110 110 ILE C C 110 175.121 174.794 0.327 1
1 1235 . 8 1 1 A 111 111 ARG N N 111 125.357 125.096 0.261 1
1 1236 . 8 1 1 A 111 111 ARG H H 111 8.776 8.875 -0.099 1
1 1237 . 8 1 1 A 111 111 ARG CA C 111 54.730 54.383 0.347 1
1 1238 . 8 1 1 A 111 111 ARG HA H 111 5.053 5.286 -0.233 1
1 1239 . 8 1 1 A 111 111 ARG CB C 111 32.685 34.150 -1.465 1
1 1245 . 8 1 1 A 111 111 ARG C C 111 174.163 174.566 -0.403 1
1 1249 . 8 1 1 A 112 112 ALA N N 112 127.119 123.368 3.751 1
1 1250 . 8 1 1 A 112 112 ALA H H 112 9.208 8.676 0.532 1
1 1251 . 8 1 1 A 112 112 ALA CA C 112 49.945 50.434 -0.489 1
1 1252 . 8 1 1 A 112 112 ALA HA H 112 5.851 5.328 0.523 1
1 1253 . 8 1 1 A 112 112 ALA CB C 112 21.329 20.683 0.646 1
1 1257 . 8 1 1 A 112 112 ALA C C 112 178.853 175.773 3.080 1
1 1258 . 8 1 1 A 113 113 THR N N 113 116.033 119.712 -3.679 1
1 1259 . 8 1 1 A 113 113 THR H H 113 8.995 8.973 0.022 1
1 1260 . 8 1 1 A 113 113 THR CA C 113 60.312 60.606 -0.294 1
1 1261 . 8 1 1 A 113 113 THR HA H 113 4.695 5.090 -0.395 1
1 1262 . 8 1 1 A 113 113 THR CB C 113 71.251 71.737 -0.486 1
1 1268 . 8 1 1 A 113 113 THR C C 113 173.710 173.209 0.501 1
1 1269 . 8 1 1 A 114 114 GLN N N 114 122.122 128.002 -5.880 1
1 1270 . 8 1 1 A 114 114 GLN H H 114 8.753 8.722 0.031 1
1 1271 . 8 1 1 A 114 114 GLN CA C 114 55.817 54.361 1.456 1
1 1272 . 8 1 1 A 114 114 GLN HA H 114 4.570 5.199 -0.629 1
1 1273 . 8 1 1 A 114 114 GLN CB C 114 30.106 32.554 -2.448 1
1 1280 . 8 1 1 A 114 114 GLN C C 114 176.106 174.736 1.370 1
1 1283 . 8 1 1 A 115 115 THR N N 115 117.345 119.390 -2.045 1
1 1284 . 8 1 1 A 115 115 THR H H 115 8.493 8.784 -0.291 1
1 1285 . 8 1 1 A 115 115 THR CA C 115 62.328 63.044 -0.716 1
1 1286 . 8 1 1 A 115 115 THR HA H 115 4.351 4.488 -0.137 1
1 1287 . 8 1 1 A 115 115 THR CB C 115 69.874 71.684 -1.810 1
1 1293 . 8 1 1 A 115 115 THR C C 115 175.158 174.568 0.590 1
1 1294 . 8 1 1 A 116 116 GLY N N 116 111.927 108.727 3.200 1
1 1295 . 8 1 1 A 116 116 GLY H H 116 8.559 7.816 0.743 1
1 1296 . 8 1 1 A 116 116 GLY CA C 116 45.315 45.157 0.158 1
1 1297 . 8 1 1 A 116 116 GLY HA3 H 116 3.934 3.973 -0.039 1
1 1298 . 8 1 1 A 116 116 GLY C C 116 173.820 172.355 1.465 1
1 1299 . 8 1 1 A 116 116 GLY HA2 H 116 4.030 3.973 0.057 1
1 1300 . 8 1 1 A 117 117 ASP N N 117 120.643 125.130 -4.487 1
1 1301 . 8 1 1 A 117 117 ASP H H 117 8.208 9.100 -0.892 1
1 1302 . 8 1 1 A 117 117 ASP CA C 117 54.393 52.988 1.405 1
1 1303 . 8 1 1 A 117 117 ASP HA H 117 4.615 4.969 -0.354 1
1 1304 . 8 1 1 A 117 117 ASP CB C 117 41.388 40.233 1.155 1
1 1306 . 8 1 1 A 117 117 ASP C C 117 175.973 175.659 0.314 1
1 1308 . 8 1 1 A 118 118 ALA N N 118 124.934 127.623 -2.689 1
1 1309 . 8 1 1 A 118 118 ALA H H 118 8.312 7.954 0.358 1
1 1310 . 8 1 1 A 118 118 ALA CA C 118 52.447 52.672 -0.225 1
1 1311 . 8 1 1 A 118 118 ALA HA H 118 4.415 4.187 0.228 1
1 1312 . 8 1 1 A 118 118 ALA CB C 118 19.339 19.247 0.092 1
1 1316 . 8 1 1 A 118 118 ALA C C 118 176.848 178.224 -1.376 1
1 1 . 9 1 1 A 9 9 SER HA H 9 4.733 4.895 -0.162 1
1 2 . 9 1 1 A 10 10 PRO CA C 10 63.335 62.248 1.087 1
1 3 . 9 1 1 A 10 10 PRO HA H 10 4.399 4.777 -0.378 1
1 4 . 9 1 1 A 10 10 PRO CB C 10 31.938 33.178 -1.240 1
1 10 . 9 1 1 A 10 10 PRO C C 10 176.442 175.323 1.119 1
1 14 . 9 1 1 A 11 11 PHE N N 11 119.801 120.382 -0.581 1
1 15 . 9 1 1 A 11 11 PHE H H 11 8.036 8.615 -0.579 1
1 16 . 9 1 1 A 11 11 PHE CA C 11 57.505 56.474 1.031 1
1 17 . 9 1 1 A 11 11 PHE HA H 11 4.606 4.906 -0.300 1
1 18 . 9 1 1 A 11 11 PHE CB C 11 39.592 43.509 -3.917 1
1 30 . 9 1 1 A 11 11 PHE C C 11 175.401 174.722 0.679 1
1 32 . 9 1 1 A 12 12 LYS N N 12 123.563 119.181 4.382 1
1 33 . 9 1 1 A 12 12 LYS H H 12 8.112 8.940 -0.828 1
1 34 . 9 1 1 A 12 12 LYS CA C 12 56.175 54.820 1.355 1
1 35 . 9 1 1 A 12 12 LYS HA H 12 4.322 5.298 -0.976 1
1 36 . 9 1 1 A 12 12 LYS CB C 12 33.352 36.546 -3.194 1
1 44 . 9 1 1 A 12 12 LYS C C 12 175.802 174.333 1.469 1
1 49 . 9 1 1 A 13 13 VAL N N 13 122.071 120.911 1.160 1
1 50 . 9 1 1 A 13 13 VAL H H 13 8.080 8.778 -0.698 1
1 51 . 9 1 1 A 13 13 VAL CA C 13 62.280 60.340 1.940 1
1 52 . 9 1 1 A 13 13 VAL HA H 13 4.036 4.821 -0.785 1
1 53 . 9 1 1 A 13 13 VAL CB C 13 32.895 35.654 -2.759 1
1 63 . 9 1 1 A 13 13 VAL C C 13 175.814 174.765 1.049 1
1 64 . 9 1 1 A 14 14 LYS N N 14 125.874 126.451 -0.577 1
1 65 . 9 1 1 A 14 14 LYS H H 14 8.392 8.549 -0.157 1
1 66 . 9 1 1 A 14 14 LYS CA C 14 56.250 55.666 0.584 1
1 67 . 9 1 1 A 14 14 LYS HA H 14 4.322 4.534 -0.212 1
1 68 . 9 1 1 A 14 14 LYS CB C 14 33.193 31.120 2.073 1
1 73 . 9 1 1 A 14 14 LYS C C 14 175.973 175.320 0.653 1
1 75 . 9 1 1 A 15 15 VAL N N 15 123.129 118.209 4.920 1
1 76 . 9 1 1 A 15 15 VAL H H 15 8.204 8.043 0.161 1
1 77 . 9 1 1 A 15 15 VAL CA C 15 62.033 59.820 2.213 1
1 78 . 9 1 1 A 15 15 VAL HA H 15 4.100 4.854 -0.754 1
1 79 . 9 1 1 A 15 15 VAL CB C 15 32.858 34.974 -2.116 1
1 89 . 9 1 1 A 15 15 VAL C C 15 175.717 175.029 0.688 1
1 90 . 9 1 1 A 16 16 LEU N N 16 127.971 122.191 5.780 1
1 91 . 9 1 1 A 16 16 LEU H H 16 8.378 8.394 -0.016 1
1 92 . 9 1 1 A 16 16 LEU CA C 16 52.885 53.482 -0.597 1
1 93 . 9 1 1 A 16 16 LEU HA H 16 4.624 4.348 0.276 1
1 94 . 9 1 1 A 16 16 LEU CB C 16 41.706 41.889 -0.183 1
1 106 . 9 1 1 A 16 16 LEU C C 16 175.092 176.157 -1.065 1
1 108 . 9 1 1 A 17 17 PRO CA C 17 62.704 62.437 0.267 1
1 109 . 9 1 1 A 17 17 PRO HA H 17 4.556 4.685 -0.129 1
1 110 . 9 1 1 A 17 17 PRO CB C 17 32.293 33.413 -1.120 1
1 116 . 9 1 1 A 17 17 PRO C C 17 177.319 176.817 0.502 1
1 120 . 9 1 1 A 18 18 THR N N 18 112.726 113.284 -0.558 1
1 121 . 9 1 1 A 18 18 THR H H 18 8.497 8.810 -0.313 1
1 122 . 9 1 1 A 18 18 THR CA C 18 62.335 62.429 -0.094 1
1 123 . 9 1 1 A 18 18 THR HA H 18 4.352 4.340 0.012 1
1 124 . 9 1 1 A 18 18 THR CB C 18 69.700 69.755 -0.055 1
1 130 . 9 1 1 A 18 18 THR C C 18 173.418 174.327 -0.909 1
1 131 . 9 1 1 A 19 19 TYR N N 19 118.883 120.262 -1.379 1
1 132 . 9 1 1 A 19 19 TYR H H 19 7.244 7.664 -0.420 1
1 133 . 9 1 1 A 19 19 TYR CA C 19 55.270 58.067 -2.797 1
1 134 . 9 1 1 A 19 19 TYR HA H 19 5.404 4.891 0.513 1
1 135 . 9 1 1 A 19 19 TYR CB C 19 40.974 39.759 1.215 1
1 145 . 9 1 1 A 19 19 TYR C C 19 174.318 174.763 -0.445 1
1 147 . 9 1 1 A 20 20 ASP N N 20 118.193 120.246 -2.053 1
1 148 . 9 1 1 A 20 20 ASP H H 20 8.686 9.375 -0.689 1
1 149 . 9 1 1 A 20 20 ASP CA C 20 53.226 53.430 -0.204 1
1 150 . 9 1 1 A 20 20 ASP HA H 20 4.539 5.173 -0.634 1
1 151 . 9 1 1 A 20 20 ASP CB C 20 41.490 44.669 -3.179 1
1 153 . 9 1 1 A 20 20 ASP C C 20 176.349 175.922 0.427 1
1 155 . 9 1 1 A 21 21 ALA N N 21 127.255 126.074 1.181 1
1 156 . 9 1 1 A 21 21 ALA H H 21 9.404 9.139 0.265 1
1 157 . 9 1 1 A 21 21 ALA CA C 21 55.157 55.144 0.013 1
1 158 . 9 1 1 A 21 21 ALA HA H 21 4.204 4.126 0.078 1
1 159 . 9 1 1 A 21 21 ALA CB C 21 19.890 18.490 1.400 1
1 163 . 9 1 1 A 21 21 ALA C C 21 178.113 179.586 -1.473 1
1 164 . 9 1 1 A 22 22 SER N N 22 110.959 113.071 -2.112 1
1 165 . 9 1 1 A 22 22 SER H H 22 8.397 8.119 0.278 1
1 166 . 9 1 1 A 22 22 SER CA C 22 60.794 60.995 -0.201 1
1 167 . 9 1 1 A 22 22 SER HA H 22 4.363 4.174 0.189 1
1 168 . 9 1 1 A 22 22 SER CB C 22 62.850 63.346 -0.496 1
1 170 . 9 1 1 A 22 22 SER C C 22 175.425 175.745 -0.320 1
1 172 . 9 1 1 A 23 23 LYS N N 23 119.671 117.458 2.213 1
1 173 . 9 1 1 A 23 23 LYS H H 23 7.366 7.583 -0.217 1
1 174 . 9 1 1 A 23 23 LYS CA C 23 54.818 55.970 -1.152 1
1 175 . 9 1 1 A 23 23 LYS HA H 23 4.368 4.343 0.025 1
1 176 . 9 1 1 A 23 23 LYS CB C 23 33.063 32.549 0.514 1
1 184 . 9 1 1 A 23 23 LYS C C 23 176.544 174.797 1.747 1
1 189 . 9 1 1 A 24 24 VAL N N 24 123.377 119.836 3.541 1
1 190 . 9 1 1 A 24 24 VAL H H 24 7.392 7.263 0.129 1
1 191 . 9 1 1 A 24 24 VAL CA C 24 62.722 61.259 1.463 1
1 192 . 9 1 1 A 24 24 VAL HA H 24 4.184 4.597 -0.413 1
1 193 . 9 1 1 A 24 24 VAL CB C 24 31.780 33.888 -2.108 1
1 203 . 9 1 1 A 24 24 VAL C C 24 175.644 175.260 0.384 1
1 204 . 9 1 1 A 25 25 THR N N 25 117.441 118.289 -0.848 1
1 205 . 9 1 1 A 25 25 THR H H 25 8.384 9.039 -0.655 1
1 206 . 9 1 1 A 25 25 THR CA C 25 59.858 60.134 -0.276 1
1 207 . 9 1 1 A 25 25 THR HA H 25 4.784 5.216 -0.432 1
1 208 . 9 1 1 A 25 25 THR CB C 25 71.687 71.491 0.196 1
1 214 . 9 1 1 A 25 25 THR C C 25 172.360 173.532 -1.172 1
1 215 . 9 1 1 A 26 26 ALA N N 26 123.956 125.848 -1.892 1
1 216 . 9 1 1 A 26 26 ALA H H 26 8.440 9.003 -0.563 1
1 217 . 9 1 1 A 26 26 ALA CA C 26 51.022 50.042 0.980 1
1 218 . 9 1 1 A 26 26 ALA HA H 26 5.575 5.669 -0.094 1
1 219 . 9 1 1 A 26 26 ALA CB C 26 22.576 22.790 -0.214 1
1 223 . 9 1 1 A 26 26 ALA C C 26 176.301 175.695 0.606 1
1 224 . 9 1 1 A 27 27 SER N N 27 114.430 115.822 -1.392 1
1 225 . 9 1 1 A 27 27 SER H H 27 9.021 8.737 0.284 1
1 226 . 9 1 1 A 27 27 SER CA C 27 57.771 57.532 0.239 1
1 227 . 9 1 1 A 27 27 SER HA H 27 4.745 5.458 -0.713 1
1 228 . 9 1 1 A 27 27 SER CB C 27 65.911 66.774 -0.863 1
1 230 . 9 1 1 A 27 27 SER C C 27 172.798 173.421 -0.623 1
1 232 . 9 1 1 A 28 28 GLY N N 28 108.618 110.570 -1.952 1
1 233 . 9 1 1 A 28 28 GLY H H 28 8.516 8.441 0.075 1
1 234 . 9 1 1 A 28 28 GLY CA C 28 44.966 45.195 -0.229 1
1 235 . 9 1 1 A 28 28 GLY HA3 H 28 4.102 4.329 -0.227 1
1 236 . 9 1 1 A 28 28 GLY C C 28 173.392 174.296 -0.904 1
1 237 . 9 1 1 A 28 28 GLY HA2 H 28 5.026 4.277 0.749 1
1 238 . 9 1 1 A 29 29 PRO CA C 29 65.446 64.938 0.508 1
1 239 . 9 1 1 A 29 29 PRO HA H 29 4.399 4.427 -0.028 1
1 240 . 9 1 1 A 29 29 PRO CB C 29 31.739 32.019 -0.280 1
1 246 . 9 1 1 A 29 29 PRO C C 29 179.804 178.507 1.297 1
1 250 . 9 1 1 A 30 30 GLY N N 30 103.199 105.916 -2.717 1
1 251 . 9 1 1 A 30 30 GLY H H 30 9.156 8.523 0.633 1
1 252 . 9 1 1 A 30 30 GLY CA C 30 46.458 46.913 -0.455 1
1 253 . 9 1 1 A 30 30 GLY HA3 H 30 3.331 4.328 -0.997 1
1 254 . 9 1 1 A 30 30 GLY C C 30 171.694 174.869 -3.175 1
1 255 . 9 1 1 A 30 30 GLY HA2 H 30 4.062 4.170 -0.108 1
1 256 . 9 1 1 A 31 31 LEU N N 31 116.112 119.692 -3.580 1
1 257 . 9 1 1 A 31 31 LEU H H 31 7.351 7.839 -0.488 1
1 258 . 9 1 1 A 31 31 LEU CA C 31 52.607 54.250 -1.643 1
1 259 . 9 1 1 A 31 31 LEU HA H 31 4.269 4.572 -0.303 1
1 260 . 9 1 1 A 31 31 LEU CB C 31 41.265 41.516 -0.251 1
1 272 . 9 1 1 A 31 31 LEU C C 31 176.751 176.367 0.384 1
1 274 . 9 1 1 A 32 32 SER N N 32 114.056 117.823 -3.767 1
1 275 . 9 1 1 A 32 32 SER H H 32 6.986 7.656 -0.670 1
1 276 . 9 1 1 A 32 32 SER CA C 32 58.750 57.708 1.042 1
1 277 . 9 1 1 A 32 32 SER HA H 32 4.268 4.616 -0.348 1
1 278 . 9 1 1 A 32 32 SER CB C 32 64.571 63.706 0.865 1
1 280 . 9 1 1 A 32 32 SER C C 32 176.483 176.484 -0.001 1
1 282 . 9 1 1 A 33 33 SER N N 33 123.249 123.675 -0.426 1
1 283 . 9 1 1 A 33 33 SER H H 33 8.887 9.123 -0.236 1
1 284 . 9 1 1 A 33 33 SER CA C 33 60.176 59.473 0.703 1
1 285 . 9 1 1 A 33 33 SER HA H 33 4.409 4.532 -0.123 1
1 286 . 9 1 1 A 33 33 SER CB C 33 63.098 63.038 0.060 1
1 288 . 9 1 1 A 33 33 SER C C 33 174.922 174.979 -0.057 1
1 290 . 9 1 1 A 34 34 TYR N N 34 120.641 120.847 -0.206 1
1 291 . 9 1 1 A 34 34 TYR H H 34 8.225 7.738 0.487 1
1 292 . 9 1 1 A 34 34 TYR CA C 34 58.266 59.913 -1.647 1
1 293 . 9 1 1 A 34 34 TYR HA H 34 4.622 4.548 0.074 1
1 294 . 9 1 1 A 34 34 TYR CB C 34 38.478 40.182 -1.704 1
1 304 . 9 1 1 A 34 34 TYR C C 34 175.881 175.927 -0.046 1
1 306 . 9 1 1 A 35 35 GLY N N 35 109.142 106.505 2.637 1
1 307 . 9 1 1 A 35 35 GLY H H 35 7.416 7.488 -0.072 1
1 308 . 9 1 1 A 35 35 GLY CA C 35 44.524 45.467 -0.943 1
1 309 . 9 1 1 A 35 35 GLY HA3 H 35 4.411 4.030 0.381 1
1 310 . 9 1 1 A 35 35 GLY C C 35 172.956 172.427 0.529 1
1 311 . 9 1 1 A 35 35 GLY HA2 H 35 4.324 3.919 0.405 1
1 312 . 9 1 1 A 36 36 VAL N N 36 116.841 120.968 -4.127 1
1 313 . 9 1 1 A 36 36 VAL H H 36 8.617 8.534 0.083 1
1 314 . 9 1 1 A 36 36 VAL CA C 36 57.700 58.152 -0.452 1
1 315 . 9 1 1 A 36 36 VAL HA H 36 4.880 4.961 -0.081 1
1 316 . 9 1 1 A 36 36 VAL CB C 36 33.474 33.522 -0.048 1
1 326 . 9 1 1 A 36 36 VAL C C 36 173.489 173.813 -0.324 1
1 327 . 9 1 1 A 37 37 PRO CA C 37 62.200 62.171 0.029 1
1 328 . 9 1 1 A 37 37 PRO HA H 37 4.646 4.603 0.043 1
1 329 . 9 1 1 A 37 37 PRO CB C 37 31.876 32.377 -0.501 1
1 335 . 9 1 1 A 37 37 PRO C C 37 177.148 177.421 -0.273 1
1 339 . 9 1 1 A 38 38 ALA N N 38 124.330 124.539 -0.209 1
1 340 . 9 1 1 A 38 38 ALA H H 38 8.591 8.024 0.567 1
1 341 . 9 1 1 A 38 38 ALA CA C 38 52.606 52.930 -0.324 1
1 342 . 9 1 1 A 38 38 ALA HA H 38 4.189 4.154 0.035 1
1 343 . 9 1 1 A 38 38 ALA CB C 38 18.928 19.183 -0.255 1
1 347 . 9 1 1 A 38 38 ALA C C 38 178.418 178.109 0.309 1
1 348 . 9 1 1 A 39 39 SER N N 39 109.435 113.114 -3.679 1
1 349 . 9 1 1 A 39 39 SER H H 39 8.687 8.735 -0.048 1
1 350 . 9 1 1 A 39 39 SER CA C 39 61.147 59.559 1.588 1
1 351 . 9 1 1 A 39 39 SER HA H 39 3.770 4.075 -0.305 1
1 352 . 9 1 1 A 39 39 SER CB C 39 62.322 61.770 0.552 1
1 354 . 9 1 1 A 39 39 SER C C 39 172.372 173.277 -0.905 1
1 356 . 9 1 1 A 40 40 LEU N N 40 121.668 121.564 0.104 1
1 357 . 9 1 1 A 40 40 LEU H H 40 6.981 7.665 -0.684 1
1 358 . 9 1 1 A 40 40 LEU CA C 40 51.707 50.967 0.740 1
1 359 . 9 1 1 A 40 40 LEU HA H 40 4.890 4.712 0.178 1
1 360 . 9 1 1 A 40 40 LEU CB C 40 43.441 44.784 -1.343 1
1 372 . 9 1 1 A 40 40 LEU C C 40 173.635 175.025 -1.390 1
1 374 . 9 1 1 A 41 41 PRO CA C 41 62.683 62.396 0.287 1
1 375 . 9 1 1 A 41 41 PRO HA H 41 4.490 4.657 -0.167 1
1 376 . 9 1 1 A 41 41 PRO CB C 41 31.415 30.659 0.756 1
1 382 . 9 1 1 A 41 41 PRO C C 41 175.540 175.105 0.435 1
1 386 . 9 1 1 A 42 42 VAL N N 42 124.505 122.637 1.868 1
1 387 . 9 1 1 A 42 42 VAL H H 42 8.917 7.750 1.167 1
1 388 . 9 1 1 A 42 42 VAL CA C 42 60.282 59.378 0.904 1
1 389 . 9 1 1 A 42 42 VAL HA H 42 4.408 4.676 -0.268 1
1 390 . 9 1 1 A 42 42 VAL CB C 42 34.522 34.718 -0.196 1
1 400 . 9 1 1 A 42 42 VAL C C 42 171.180 174.029 -2.849 1
1 401 . 9 1 1 A 43 43 ASP N N 43 121.538 126.928 -5.390 1
1 402 . 9 1 1 A 43 43 ASP H H 43 7.549 9.020 -1.471 1
1 403 . 9 1 1 A 43 43 ASP CA C 43 51.968 52.240 -0.272 1
1 404 . 9 1 1 A 43 43 ASP HA H 43 6.324 5.583 0.741 1
1 405 . 9 1 1 A 43 43 ASP CB C 43 44.949 44.834 0.115 1
1 407 . 9 1 1 A 43 43 ASP C C 43 177.711 174.873 2.838 1
1 409 . 9 1 1 A 44 44 PHE N N 44 112.517 117.635 -5.118 1
1 410 . 9 1 1 A 44 44 PHE H H 44 9.044 7.881 1.163 1
1 411 . 9 1 1 A 44 44 PHE CA C 44 57.658 54.875 2.783 1
1 412 . 9 1 1 A 44 44 PHE HA H 44 5.069 5.493 -0.424 1
1 413 . 9 1 1 A 44 44 PHE CB C 44 41.220 42.132 -0.912 1
1 425 . 9 1 1 A 44 44 PHE C C 44 171.679 173.781 -2.102 1
1 427 . 9 1 1 A 45 45 ALA N N 45 123.935 121.368 2.567 1
1 428 . 9 1 1 A 45 45 ALA H H 45 9.468 8.865 0.603 1
1 429 . 9 1 1 A 45 45 ALA CA C 45 50.855 50.150 0.705 1
1 430 . 9 1 1 A 45 45 ALA HA H 45 5.379 5.319 0.060 1
1 431 . 9 1 1 A 45 45 ALA CB C 45 22.496 22.173 0.323 1
1 435 . 9 1 1 A 45 45 ALA C C 45 176.715 175.733 0.982 1
1 436 . 9 1 1 A 46 46 ILE N N 46 119.530 122.747 -3.217 1
1 437 . 9 1 1 A 46 46 ILE H H 46 8.686 9.456 -0.770 1
1 438 . 9 1 1 A 46 46 ILE CA C 46 59.561 60.714 -1.153 1
1 439 . 9 1 1 A 46 46 ILE HA H 46 4.863 4.785 0.078 1
1 440 . 9 1 1 A 46 46 ILE CB C 46 41.370 39.566 1.804 1
1 452 . 9 1 1 A 46 46 ILE C C 46 174.379 174.552 -0.173 1
1 454 . 9 1 1 A 47 47 ASP N N 47 127.143 127.728 -0.585 1
1 455 . 9 1 1 A 47 47 ASP H H 47 9.281 8.849 0.432 1
1 456 . 9 1 1 A 47 47 ASP CA C 47 53.297 53.046 0.251 1
1 457 . 9 1 1 A 47 47 ASP HA H 47 4.976 5.267 -0.291 1
1 458 . 9 1 1 A 47 47 ASP CB C 47 41.371 42.689 -1.318 1
1 460 . 9 1 1 A 47 47 ASP C C 47 174.962 175.010 -0.048 1
1 462 . 9 1 1 A 48 48 ALA N N 48 129.371 128.135 1.236 1
1 463 . 9 1 1 A 48 48 ALA H H 48 9.078 8.766 0.312 1
1 464 . 9 1 1 A 48 48 ALA CA C 48 50.554 50.760 -0.206 1
1 465 . 9 1 1 A 48 48 ALA HA H 48 4.641 4.917 -0.276 1
1 466 . 9 1 1 A 48 48 ALA CB C 48 19.699 20.641 -0.942 1
1 470 . 9 1 1 A 48 48 ALA C C 48 179.317 176.707 2.610 1
1 471 . 9 1 1 A 49 49 ARG N N 49 122.060 124.881 -2.821 1
1 472 . 9 1 1 A 49 49 ARG H H 49 8.590 9.041 -0.451 1
1 473 . 9 1 1 A 49 49 ARG CA C 49 60.964 57.614 3.350 1
1 474 . 9 1 1 A 49 49 ARG HA H 49 3.987 4.483 -0.496 1
1 475 . 9 1 1 A 49 49 ARG CB C 49 30.654 31.201 -0.547 1
1 483 . 9 1 1 A 49 49 ARG C C 49 178.077 176.468 1.609 1
1 487 . 9 1 1 A 50 50 ASP N N 50 116.664 117.865 -1.201 1
1 488 . 9 1 1 A 50 50 ASP H H 50 8.794 8.046 0.748 1
1 489 . 9 1 1 A 50 50 ASP CA C 50 53.827 53.493 0.334 1
1 490 . 9 1 1 A 50 50 ASP HA H 50 5.040 4.856 0.184 1
1 491 . 9 1 1 A 50 50 ASP CB C 50 41.595 41.996 -0.401 1
1 493 . 9 1 1 A 50 50 ASP C C 50 175.754 177.194 -1.440 1
1 495 . 9 1 1 A 51 51 ALA N N 51 121.173 121.046 0.127 1
1 496 . 9 1 1 A 51 51 ALA H H 51 7.406 7.822 -0.416 1
1 497 . 9 1 1 A 51 51 ALA CA C 51 52.147 52.642 -0.495 1
1 498 . 9 1 1 A 51 51 ALA HA H 51 4.414 4.148 0.266 1
1 499 . 9 1 1 A 51 51 ALA CB C 51 23.427 19.292 4.135 1
1 503 . 9 1 1 A 51 51 ALA C C 51 176.763 178.147 -1.384 1
1 504 . 9 1 1 A 52 52 GLY N N 52 108.187 106.147 2.040 1
1 505 . 9 1 1 A 52 52 GLY H H 52 8.521 7.950 0.571 1
1 506 . 9 1 1 A 52 52 GLY CA C 52 45.210 45.718 -0.508 1
1 507 . 9 1 1 A 52 52 GLY HA3 H 52 3.859 4.080 -0.221 1
1 508 . 9 1 1 A 52 52 GLY C C 52 175.060 173.655 1.405 1
1 509 . 9 1 1 A 52 52 GLY HA2 H 52 4.492 4.036 0.456 1
1 510 . 9 1 1 A 53 53 GLU N N 53 124.810 122.921 1.889 1
1 511 . 9 1 1 A 53 53 GLU H H 53 8.643 8.703 -0.060 1
1 512 . 9 1 1 A 53 53 GLU CA C 53 56.352 55.046 1.306 1
1 513 . 9 1 1 A 53 53 GLU HA H 53 4.663 5.213 -0.550 1
1 514 . 9 1 1 A 53 53 GLU CB C 53 31.164 32.989 -1.825 1
1 518 . 9 1 1 A 53 53 GLU C C 53 173.491 176.013 -2.522 1
1 521 . 9 1 1 A 54 54 GLY N N 54 111.417 111.866 -0.449 1
1 522 . 9 1 1 A 54 54 GLY H H 54 7.465 8.371 -0.906 1
1 523 . 9 1 1 A 54 54 GLY CA C 54 43.622 44.841 -1.219 1
1 524 . 9 1 1 A 54 54 GLY HA3 H 54 2.287 3.901 -1.614 1
1 525 . 9 1 1 A 54 54 GLY C C 54 170.013 171.559 -1.546 1
1 526 . 9 1 1 A 54 54 GLY HA2 H 54 3.819 3.542 0.277 1
1 527 . 9 1 1 A 55 55 LEU N N 55 117.446 122.353 -4.907 1
1 528 . 9 1 1 A 55 55 LEU H H 55 7.461 7.857 -0.396 1
1 529 . 9 1 1 A 55 55 LEU CA C 55 54.041 54.694 -0.653 1
1 530 . 9 1 1 A 55 55 LEU HA H 55 4.293 4.113 0.180 1
1 531 . 9 1 1 A 55 55 LEU CB C 55 42.832 42.281 0.551 1
1 543 . 9 1 1 A 55 55 LEU C C 55 176.872 175.285 1.587 1
1 545 . 9 1 1 A 56 56 LEU N N 56 131.840 128.536 3.304 1
1 546 . 9 1 1 A 56 56 LEU H H 56 8.791 8.536 0.255 1
1 547 . 9 1 1 A 56 56 LEU CA C 56 53.807 53.488 0.319 1
1 548 . 9 1 1 A 56 56 LEU HA H 56 5.053 4.712 0.341 1
1 549 . 9 1 1 A 56 56 LEU CB C 56 43.113 44.100 -0.987 1
1 561 . 9 1 1 A 56 56 LEU C C 56 175.389 175.274 0.115 1
1 563 . 9 1 1 A 57 57 ALA N N 57 130.035 127.809 2.226 1
1 564 . 9 1 1 A 57 57 ALA H H 57 8.880 8.448 0.432 1
1 565 . 9 1 1 A 57 57 ALA CA C 57 51.758 50.442 1.316 1
1 566 . 9 1 1 A 57 57 ALA HA H 57 4.641 5.225 -0.584 1
1 567 . 9 1 1 A 57 57 ALA CB C 57 21.820 23.576 -1.756 1
1 571 . 9 1 1 A 57 57 ALA C C 57 174.647 175.722 -1.075 1
1 572 . 9 1 1 A 58 58 VAL N N 58 120.958 120.195 0.763 1
1 573 . 9 1 1 A 58 58 VAL H H 58 8.443 8.717 -0.274 1
1 574 . 9 1 1 A 58 58 VAL CA C 58 60.495 61.330 -0.835 1
1 575 . 9 1 1 A 58 58 VAL HA H 58 4.988 4.719 0.269 1
1 576 . 9 1 1 A 58 58 VAL CB C 58 34.639 34.600 0.039 1
1 586 . 9 1 1 A 58 58 VAL C C 58 174.646 174.015 0.631 1
1 587 . 9 1 1 A 59 59 GLN N N 59 127.048 128.614 -1.566 1
1 588 . 9 1 1 A 59 59 GLN H H 59 9.196 8.713 0.483 1
1 589 . 9 1 1 A 59 59 GLN CA C 59 54.587 54.456 0.131 1
1 590 . 9 1 1 A 59 59 GLN HA H 59 4.706 5.010 -0.304 1
1 591 . 9 1 1 A 59 59 GLN CB C 59 31.580 30.610 0.970 1
1 598 . 9 1 1 A 59 59 GLN C C 59 174.197 174.585 -0.388 1
1 601 . 9 1 1 A 60 60 ILE N N 60 127.617 128.362 -0.745 1
1 602 . 9 1 1 A 60 60 ILE H H 60 9.299 9.039 0.260 1
1 603 . 9 1 1 A 60 60 ILE CA C 60 60.506 60.189 0.317 1
1 604 . 9 1 1 A 60 60 ILE HA H 60 5.210 4.907 0.303 1
1 605 . 9 1 1 A 60 60 ILE CB C 60 39.172 40.019 -0.847 1
1 617 . 9 1 1 A 60 60 ILE C C 60 175.608 175.285 0.323 1
1 619 . 9 1 1 A 61 61 THR N N 61 119.733 117.320 2.413 1
1 620 . 9 1 1 A 61 61 THR H H 61 8.924 9.216 -0.292 1
1 621 . 9 1 1 A 61 61 THR CA C 61 59.565 59.322 0.243 1
1 622 . 9 1 1 A 61 61 THR HA H 61 5.173 5.615 -0.442 1
1 623 . 9 1 1 A 61 61 THR CB C 61 72.121 72.072 0.049 1
1 629 . 9 1 1 A 61 61 THR C C 61 174.051 173.294 0.757 1
1 630 . 9 1 1 A 62 62 ASP N N 62 122.337 120.711 1.626 1
1 631 . 9 1 1 A 62 62 ASP H H 62 8.484 8.831 -0.347 1
1 632 . 9 1 1 A 62 62 ASP CA C 62 52.200 52.952 -0.752 1
1 633 . 9 1 1 A 62 62 ASP HA H 62 4.425 4.680 -0.255 1
1 634 . 9 1 1 A 62 62 ASP CB C 62 42.222 42.266 -0.044 1
1 636 . 9 1 1 A 62 62 ASP C C 62 179.086 177.468 1.618 1
1 638 . 9 1 1 A 63 63 GLN N N 63 118.341 120.284 -1.943 1
1 639 . 9 1 1 A 63 63 GLN H H 63 8.250 8.594 -0.344 1
1 640 . 9 1 1 A 63 63 GLN CA C 63 58.406 58.591 -0.185 1
1 641 . 9 1 1 A 63 63 GLN HA H 63 4.049 4.016 0.033 1
1 642 . 9 1 1 A 63 63 GLN CB C 63 28.127 28.171 -0.044 1
1 649 . 9 1 1 A 63 63 GLN C C 63 177.152 178.009 -0.857 1
1 652 . 9 1 1 A 64 64 GLU N N 64 119.134 118.567 0.567 1
1 653 . 9 1 1 A 64 64 GLU H H 64 8.120 7.695 0.425 1
1 654 . 9 1 1 A 64 64 GLU CA C 64 55.790 56.905 -1.115 1
1 655 . 9 1 1 A 64 64 GLU HA H 64 4.423 4.360 0.063 1
1 656 . 9 1 1 A 64 64 GLU CB C 64 30.102 30.329 -0.227 1
1 660 . 9 1 1 A 64 64 GLU C C 64 176.374 176.649 -0.275 1
1 663 . 9 1 1 A 65 65 GLY N N 65 108.728 107.916 0.812 1
1 664 . 9 1 1 A 65 65 GLY H H 65 8.306 7.908 0.398 1
1 665 . 9 1 1 A 65 65 GLY CA C 65 45.285 45.709 -0.424 1
1 666 . 9 1 1 A 65 65 GLY HA3 H 65 3.561 4.025 -0.464 1
1 667 . 9 1 1 A 65 65 GLY C C 65 174.342 174.216 0.126 1
1 668 . 9 1 1 A 65 65 GLY HA2 H 65 4.203 4.023 0.180 1
1 669 . 9 1 1 A 66 66 LYS N N 66 123.502 119.668 3.834 1
1 670 . 9 1 1 A 66 66 LYS H H 66 8.528 7.780 0.748 1
1 671 . 9 1 1 A 66 66 LYS CA C 66 53.738 53.218 0.520 1
1 672 . 9 1 1 A 66 66 LYS HA H 66 4.613 4.709 -0.096 1
1 673 . 9 1 1 A 66 66 LYS CB C 66 31.167 32.376 -1.209 1
1 681 . 9 1 1 A 66 66 LYS C C 66 174.752 174.246 0.506 1
1 686 . 9 1 1 A 67 67 PRO CA C 67 62.433 62.681 -0.248 1
1 687 . 9 1 1 A 67 67 PRO HA H 67 5.062 4.722 0.340 1
1 688 . 9 1 1 A 67 67 PRO CB C 67 32.725 32.147 0.578 1
1 694 . 9 1 1 A 67 67 PRO C C 67 177.270 176.184 1.086 1
1 698 . 9 1 1 A 68 68 LYS N N 68 121.461 121.688 -0.227 1
1 699 . 9 1 1 A 68 68 LYS H H 68 8.419 8.585 -0.166 1
1 700 . 9 1 1 A 68 68 LYS CA C 68 52.023 54.783 -2.760 1
1 701 . 9 1 1 A 68 68 LYS HA H 68 4.797 4.845 -0.048 1
1 702 . 9 1 1 A 68 68 LYS CB C 68 32.611 36.121 -3.510 1
1 710 . 9 1 1 A 68 68 LYS C C 68 175.389 175.873 -0.484 1
1 715 . 9 1 1 A 69 69 ARG N N 69 124.040 124.789 -0.749 1
1 716 . 9 1 1 A 69 69 ARG H H 69 8.683 8.622 0.061 1
1 717 . 9 1 1 A 69 69 ARG CA C 69 57.045 57.250 -0.205 1
1 718 . 9 1 1 A 69 69 ARG HA H 69 4.221 4.355 -0.134 1
1 719 . 9 1 1 A 69 69 ARG CB C 69 30.712 30.684 0.028 1
1 725 . 9 1 1 A 69 69 ARG C C 69 174.877 175.300 -0.423 1
1 729 . 9 1 1 A 70 70 ALA N N 70 127.074 127.457 -0.383 1
1 730 . 9 1 1 A 70 70 ALA H H 70 8.421 8.528 -0.107 1
1 731 . 9 1 1 A 70 70 ALA CA C 70 50.360 51.078 -0.718 1
1 732 . 9 1 1 A 70 70 ALA HA H 70 4.859 5.166 -0.307 1
1 733 . 9 1 1 A 70 70 ALA CB C 70 20.569 22.692 -2.123 1
1 737 . 9 1 1 A 70 70 ALA C C 70 176.313 175.735 0.578 1
1 738 . 9 1 1 A 71 71 ILE N N 71 124.496 121.615 2.881 1
1 739 . 9 1 1 A 71 71 ILE H H 71 8.943 8.984 -0.041 1
1 740 . 9 1 1 A 71 71 ILE CA C 71 60.870 60.108 0.762 1
1 741 . 9 1 1 A 71 71 ILE HA H 71 4.195 4.741 -0.546 1
1 742 . 9 1 1 A 71 71 ILE CB C 71 38.457 40.224 -1.767 1
1 754 . 9 1 1 A 71 71 ILE C C 71 175.027 174.945 0.082 1
1 756 . 9 1 1 A 72 72 VAL N N 72 128.410 127.498 0.912 1
1 757 . 9 1 1 A 72 72 VAL H H 72 8.714 8.914 -0.200 1
1 758 . 9 1 1 A 72 72 VAL CA C 72 61.867 61.253 0.614 1
1 759 . 9 1 1 A 72 72 VAL HA H 72 4.478 4.536 -0.058 1
1 760 . 9 1 1 A 72 72 VAL CB C 72 32.745 32.480 0.265 1
1 770 . 9 1 1 A 72 72 VAL C C 72 175.279 174.734 0.545 1
1 771 . 9 1 1 A 73 73 HIS N N 73 129.084 126.346 2.738 1
1 772 . 9 1 1 A 73 73 HIS H H 73 9.783 8.736 1.047 1
1 773 . 9 1 1 A 73 73 HIS CA C 73 55.366 55.089 0.277 1
1 774 . 9 1 1 A 73 73 HIS HA H 73 4.849 5.004 -0.155 1
1 775 . 9 1 1 A 73 73 HIS CB C 73 31.465 31.306 0.159 1
1 781 . 9 1 1 A 73 73 HIS C C 73 173.491 174.207 -0.716 1
1 783 . 9 1 1 A 74 74 ASP N N 74 127.118 125.133 1.985 1
1 784 . 9 1 1 A 74 74 ASP H H 74 8.541 8.733 -0.192 1
1 785 . 9 1 1 A 74 74 ASP CA C 74 53.048 53.719 -0.671 1
1 786 . 9 1 1 A 74 74 ASP HA H 74 4.476 4.903 -0.427 1
1 787 . 9 1 1 A 74 74 ASP CB C 74 41.554 41.378 0.176 1
1 789 . 9 1 1 A 74 74 ASP C C 74 175.936 175.699 0.237 1
1 791 . 9 1 1 A 75 75 ASN N N 75 124.002 121.823 2.179 1
1 792 . 9 1 1 A 75 75 ASN H H 75 7.827 8.771 -0.944 1
1 793 . 9 1 1 A 75 75 ASN CA C 75 54.517 53.190 1.327 1
1 794 . 9 1 1 A 75 75 ASN HA H 75 4.572 4.873 -0.301 1
1 795 . 9 1 1 A 75 75 ASN CB C 75 38.091 39.738 -1.647 1
1 800 . 9 1 1 A 75 75 ASN C C 75 175.352 174.892 0.460 1
1 802 . 9 1 1 A 76 76 LYS N N 76 114.689 115.445 -0.756 1
1 803 . 9 1 1 A 76 76 LYS H H 76 9.246 7.711 1.535 1
1 804 . 9 1 1 A 76 76 LYS CA C 76 57.428 57.272 0.156 1
1 805 . 9 1 1 A 76 76 LYS HA H 76 3.882 3.893 -0.011 1
1 806 . 9 1 1 A 76 76 LYS CB C 76 28.223 29.010 -0.787 1
1 814 . 9 1 1 A 76 76 LYS C C 76 174.975 174.723 0.252 1
1 819 . 9 1 1 A 77 77 ASP N N 77 117.462 118.898 -1.436 1
1 820 . 9 1 1 A 77 77 ASP H H 77 7.831 7.901 -0.070 1
1 821 . 9 1 1 A 77 77 ASP CA C 77 52.168 53.008 -0.840 1
1 822 . 9 1 1 A 77 77 ASP HA H 77 4.706 4.815 -0.109 1
1 823 . 9 1 1 A 77 77 ASP CB C 77 41.224 41.095 0.129 1
1 825 . 9 1 1 A 77 77 ASP C C 77 176.739 176.048 0.691 1
1 827 . 9 1 1 A 78 78 GLY N N 78 109.485 108.096 1.389 1
1 828 . 9 1 1 A 78 78 GLY H H 78 8.658 8.613 0.045 1
1 829 . 9 1 1 A 78 78 GLY CA C 78 45.568 46.031 -0.463 1
1 830 . 9 1 1 A 78 78 GLY HA3 H 78 3.698 3.830 -0.132 1
1 831 . 9 1 1 A 78 78 GLY C C 78 172.263 173.396 -1.133 1
1 832 . 9 1 1 A 78 78 GLY HA2 H 78 4.323 3.809 0.514 1
1 833 . 9 1 1 A 79 79 THR N N 79 109.462 109.941 -0.479 1
1 834 . 9 1 1 A 79 79 THR H H 79 8.057 7.192 0.865 1
1 835 . 9 1 1 A 79 79 THR CA C 79 59.989 60.027 -0.038 1
1 836 . 9 1 1 A 79 79 THR HA H 79 5.566 5.129 0.437 1
1 837 . 9 1 1 A 79 79 THR CB C 79 72.712 72.574 0.138 1
1 843 . 9 1 1 A 79 79 THR C C 79 173.868 171.828 2.040 1
1 844 . 9 1 1 A 80 80 TYR N N 80 116.428 119.077 -2.649 1
1 845 . 9 1 1 A 80 80 TYR H H 80 9.085 8.458 0.627 1
1 846 . 9 1 1 A 80 80 TYR CA C 80 56.533 56.486 0.047 1
1 847 . 9 1 1 A 80 80 TYR HA H 80 5.372 5.036 0.336 1
1 848 . 9 1 1 A 80 80 TYR CB C 80 42.831 42.932 -0.101 1
1 858 . 9 1 1 A 80 80 TYR C C 80 175.327 174.576 0.751 1
1 860 . 9 1 1 A 81 81 ALA N N 81 126.743 124.637 2.106 1
1 861 . 9 1 1 A 81 81 ALA H H 81 9.302 8.507 0.795 1
1 862 . 9 1 1 A 81 81 ALA CA C 81 51.121 49.732 1.389 1
1 863 . 9 1 1 A 81 81 ALA HA H 81 5.149 5.596 -0.447 1
1 864 . 9 1 1 A 81 81 ALA CB C 81 22.111 22.986 -0.875 1
1 868 . 9 1 1 A 81 81 ALA C C 81 175.505 175.860 -0.355 1
1 869 . 9 1 1 A 82 82 VAL N N 82 124.472 120.429 4.043 1
1 870 . 9 1 1 A 82 82 VAL H H 82 8.940 8.045 0.895 1
1 871 . 9 1 1 A 82 82 VAL CA C 82 60.264 60.938 -0.674 1
1 872 . 9 1 1 A 82 82 VAL HA H 82 5.039 4.671 0.368 1
1 873 . 9 1 1 A 82 82 VAL CB C 82 33.236 34.256 -1.020 1
1 883 . 9 1 1 A 82 82 VAL C C 82 174.517 174.623 -0.106 1
1 884 . 9 1 1 A 83 83 THR N N 83 121.500 122.969 -1.469 1
1 885 . 9 1 1 A 83 83 THR H H 83 8.717 8.422 0.295 1
1 886 . 9 1 1 A 83 83 THR CA C 83 61.075 62.242 -1.167 1
1 887 . 9 1 1 A 83 83 THR HA H 83 5.497 5.097 0.400 1
1 888 . 9 1 1 A 83 83 THR CB C 83 72.153 70.971 1.182 1
1 894 . 9 1 1 A 83 83 THR C C 83 173.515 173.766 -0.251 1
1 895 . 9 1 1 A 84 84 TYR N N 84 122.841 120.936 1.905 1
1 896 . 9 1 1 A 84 84 TYR H H 84 9.014 8.935 0.079 1
1 897 . 9 1 1 A 84 84 TYR CA C 84 55.985 55.929 0.056 1
1 898 . 9 1 1 A 84 84 TYR HA H 84 4.979 5.292 -0.313 1
1 899 . 9 1 1 A 84 84 TYR CB C 84 41.967 41.470 0.497 1
1 909 . 9 1 1 A 84 84 TYR C C 84 171.873 172.920 -1.047 1
1 911 . 9 1 1 A 85 85 ILE N N 85 118.254 123.802 -5.548 1
1 912 . 9 1 1 A 85 85 ILE H H 85 8.805 8.881 -0.076 1
1 913 . 9 1 1 A 85 85 ILE CA C 85 57.883 58.182 -0.299 1
1 914 . 9 1 1 A 85 85 ILE HA H 85 4.550 4.567 -0.017 1
1 915 . 9 1 1 A 85 85 ILE CB C 85 40.179 38.758 1.421 1
1 927 . 9 1 1 A 85 85 ILE C C 85 174.339 174.776 -0.437 1
1 929 . 9 1 1 A 86 86 PRO CA C 86 61.414 62.335 -0.921 1
1 930 . 9 1 1 A 86 86 PRO HA H 86 4.436 4.594 -0.158 1
1 931 . 9 1 1 A 86 86 PRO CB C 86 30.107 30.768 -0.661 1
1 937 . 9 1 1 A 86 86 PRO C C 86 175.126 177.094 -1.968 1
1 941 . 9 1 1 A 87 87 ASP N N 87 123.447 125.488 -2.041 1
1 942 . 9 1 1 A 87 87 ASP H H 87 8.501 8.947 -0.446 1
1 943 . 9 1 1 A 87 87 ASP CA C 87 55.668 57.153 -1.485 1
1 944 . 9 1 1 A 87 87 ASP HA H 87 4.263 4.441 -0.178 1
1 945 . 9 1 1 A 87 87 ASP CB C 87 40.930 41.720 -0.790 1
1 947 . 9 1 1 A 87 87 ASP C C 87 175.182 176.510 -1.328 1
1 949 . 9 1 1 A 88 88 LYS N N 88 116.947 118.661 -1.714 1
1 950 . 9 1 1 A 88 88 LYS H H 88 7.683 8.016 -0.333 1
1 951 . 9 1 1 A 88 88 LYS CA C 88 54.995 55.890 -0.895 1
1 952 . 9 1 1 A 88 88 LYS HA H 88 4.588 4.528 0.060 1
1 953 . 9 1 1 A 88 88 LYS CB C 88 34.821 33.844 0.977 1
1 961 . 9 1 1 A 88 88 LYS C C 88 177.529 176.336 1.193 1
1 966 . 9 1 1 A 89 89 THR N N 89 114.134 112.636 1.498 1
1 967 . 9 1 1 A 89 89 THR H H 89 8.588 8.604 -0.016 1
1 968 . 9 1 1 A 89 89 THR CA C 89 62.828 59.883 2.945 1
1 969 . 9 1 1 A 89 89 THR HA H 89 4.083 5.239 -1.156 1
1 970 . 9 1 1 A 89 89 THR CB C 89 69.590 71.560 -1.970 1
1 976 . 9 1 1 A 89 89 THR C C 89 174.269 173.527 0.742 1
1 977 . 9 1 1 A 90 90 GLY N N 90 109.440 108.346 1.094 1
1 978 . 9 1 1 A 90 90 GLY H H 90 8.444 8.433 0.011 1
1 979 . 9 1 1 A 90 90 GLY CA C 90 44.648 44.473 0.175 1
1 980 . 9 1 1 A 90 90 GLY HA3 H 90 4.467 4.102 0.365 1
1 981 . 9 1 1 A 90 90 GLY C C 90 172.469 172.129 0.340 1
1 982 . 9 1 1 A 90 90 GLY HA2 H 90 3.908 4.020 -0.112 1
1 983 . 9 1 1 A 91 91 ARG N N 91 120.781 120.655 0.126 1
1 984 . 9 1 1 A 91 91 ARG H H 91 8.271 8.230 0.041 1
1 985 . 9 1 1 A 91 91 ARG CA C 91 56.178 56.543 -0.365 1
1 986 . 9 1 1 A 91 91 ARG HA H 91 4.951 4.549 0.402 1
1 987 . 9 1 1 A 91 91 ARG CB C 91 31.986 30.804 1.182 1
1 993 . 9 1 1 A 91 91 ARG C C 91 175.711 175.068 0.643 1
1 997 . 9 1 1 A 92 92 TYR N N 92 122.381 127.076 -4.695 1
1 998 . 9 1 1 A 92 92 TYR H H 92 9.312 9.500 -0.188 1
1 999 . 9 1 1 A 92 92 TYR CA C 92 56.886 57.434 -0.548 1
1 1000 . 9 1 1 A 92 92 TYR HA H 92 4.960 5.098 -0.138 1
1 1001 . 9 1 1 A 92 92 TYR CB C 92 41.223 40.215 1.008 1
1 1011 . 9 1 1 A 92 92 TYR C C 92 174.902 174.733 0.169 1
1 1013 . 9 1 1 A 93 93 MET N N 93 121.210 124.574 -3.364 1
1 1014 . 9 1 1 A 93 93 MET H H 93 8.819 8.920 -0.101 1
1 1015 . 9 1 1 A 93 93 MET CA C 93 53.745 53.983 -0.238 1
1 1016 . 9 1 1 A 93 93 MET HA H 93 5.346 5.263 0.083 1
1 1017 . 9 1 1 A 93 93 MET CB C 93 34.220 35.410 -1.190 1
1 1025 . 9 1 1 A 93 93 MET C C 93 175.365 175.274 0.091 1
1 1028 . 9 1 1 A 94 94 ILE N N 94 125.747 126.390 -0.643 1
1 1029 . 9 1 1 A 94 94 ILE H H 94 9.372 8.767 0.605 1
1 1030 . 9 1 1 A 94 94 ILE CA C 94 60.685 59.766 0.919 1
1 1031 . 9 1 1 A 94 94 ILE HA H 94 4.606 5.201 -0.595 1
1 1032 . 9 1 1 A 94 94 ILE CB C 94 39.188 41.087 -1.899 1
1 1044 . 9 1 1 A 94 94 ILE C C 94 174.987 174.917 0.070 1
1 1046 . 9 1 1 A 95 95 GLY N N 95 116.553 114.854 1.699 1
1 1047 . 9 1 1 A 95 95 GLY H H 95 9.509 9.279 0.230 1
1 1048 . 9 1 1 A 95 95 GLY CA C 95 44.507 45.346 -0.839 1
1 1049 . 9 1 1 A 95 95 GLY HA3 H 95 3.605 4.210 -0.605 1
1 1050 . 9 1 1 A 95 95 GLY C C 95 173.175 171.424 1.751 1
1 1051 . 9 1 1 A 95 95 GLY HA2 H 95 4.606 4.177 0.429 1
1 1052 . 9 1 1 A 96 96 VAL N N 96 127.036 128.386 -1.350 1
1 1053 . 9 1 1 A 96 96 VAL H H 96 9.299 8.940 0.359 1
1 1054 . 9 1 1 A 96 96 VAL CA C 96 61.308 62.478 -1.170 1
1 1055 . 9 1 1 A 96 96 VAL HA H 96 4.889 4.542 0.347 1
1 1056 . 9 1 1 A 96 96 VAL CB C 96 34.145 33.201 0.944 1
1 1066 . 9 1 1 A 96 96 VAL C C 96 174.354 175.458 -1.104 1
1 1067 . 9 1 1 A 97 97 THR N N 97 115.219 117.418 -2.199 1
1 1068 . 9 1 1 A 97 97 THR H H 97 9.018 8.655 0.363 1
1 1069 . 9 1 1 A 97 97 THR CA C 97 57.826 59.665 -1.839 1
1 1070 . 9 1 1 A 97 97 THR HA H 97 5.265 5.282 -0.017 1
1 1071 . 9 1 1 A 97 97 THR CB C 97 72.753 71.982 0.771 1
1 1077 . 9 1 1 A 97 97 THR C C 97 173.175 172.756 0.419 1
1 1078 . 9 1 1 A 98 98 TYR N N 98 122.768 123.292 -0.524 1
1 1079 . 9 1 1 A 98 98 TYR H H 98 9.149 9.424 -0.275 1
1 1080 . 9 1 1 A 98 98 TYR CA C 98 57.488 57.238 0.250 1
1 1081 . 9 1 1 A 98 98 TYR HA H 98 5.077 4.943 0.134 1
1 1082 . 9 1 1 A 98 98 TYR CB C 98 43.122 41.486 1.636 1
1 1092 . 9 1 1 A 98 98 TYR C C 98 175.949 175.399 0.550 1
1 1094 . 9 1 1 A 99 99 GLY N N 99 113.994 115.208 -1.214 1
1 1095 . 9 1 1 A 99 99 GLY H H 99 8.402 9.295 -0.893 1
1 1096 . 9 1 1 A 99 99 GLY CA C 99 45.010 46.491 -1.481 1
1 1097 . 9 1 1 A 99 99 GLY HA3 H 99 2.623 3.402 -0.779 1
1 1098 . 9 1 1 A 99 99 GLY C C 99 174.197 175.181 -0.984 1
1 1099 . 9 1 1 A 99 99 GLY HA2 H 99 3.220 3.030 0.190 1
1 1100 . 9 1 1 A 100 100 GLY N N 100 103.115 106.046 -2.931 1
1 1101 . 9 1 1 A 100 100 GLY H H 100 8.288 8.616 -0.328 1
1 1102 . 9 1 1 A 100 100 GLY CA C 100 44.170 46.516 -2.346 1
1 1103 . 9 1 1 A 100 100 GLY HA3 H 100 4.265 3.921 0.344 1
1 1104 . 9 1 1 A 100 100 GLY C C 100 173.054 173.338 -0.284 1
1 1105 . 9 1 1 A 100 100 GLY HA2 H 100 3.284 3.903 -0.619 1
1 1106 . 9 1 1 A 101 101 ASP N N 101 120.566 119.562 1.004 1
1 1107 . 9 1 1 A 101 101 ASP H H 101 7.245 7.955 -0.710 1
1 1108 . 9 1 1 A 101 101 ASP CA C 101 52.908 53.199 -0.291 1
1 1109 . 9 1 1 A 101 101 ASP HA H 101 5.012 5.135 -0.123 1
1 1110 . 9 1 1 A 101 101 ASP CB C 101 42.831 44.227 -1.396 1
1 1112 . 9 1 1 A 101 101 ASP C C 101 175.182 175.228 -0.046 1
1 1114 . 9 1 1 A 102 102 ASP N N 102 122.668 125.351 -2.683 1
1 1115 . 9 1 1 A 102 102 ASP H H 102 8.597 8.930 -0.333 1
1 1116 . 9 1 1 A 102 102 ASP CA C 102 56.233 54.247 1.986 1
1 1117 . 9 1 1 A 102 102 ASP HA H 102 4.667 4.773 -0.106 1
1 1118 . 9 1 1 A 102 102 ASP CB C 102 42.373 41.223 1.150 1
1 1120 . 9 1 1 A 102 102 ASP C C 102 176.970 176.154 0.816 1
1 1122 . 9 1 1 A 103 103 ILE N N 103 117.672 118.167 -0.495 1
1 1123 . 9 1 1 A 103 103 ILE H H 103 7.887 8.449 -0.562 1
1 1124 . 9 1 1 A 103 103 ILE CA C 103 61.025 59.462 1.563 1
1 1125 . 9 1 1 A 103 103 ILE HA H 103 4.526 4.674 -0.148 1
1 1126 . 9 1 1 A 103 103 ILE CB C 103 35.534 37.711 -2.177 1
1 1138 . 9 1 1 A 103 103 ILE C C 103 173.902 176.413 -2.511 1
1 1140 . 9 1 1 A 104 104 PRO CA C 104 66.456 64.133 2.323 1
1 1141 . 9 1 1 A 104 104 PRO HA H 104 4.177 4.536 -0.359 1
1 1142 . 9 1 1 A 104 104 PRO CB C 104 31.709 31.521 0.188 1
1 1151 . 9 1 1 A 105 105 LEU N N 105 115.386 117.795 -2.409 1
1 1152 . 9 1 1 A 105 105 LEU H H 105 8.464 7.974 0.490 1
1 1153 . 9 1 1 A 105 105 LEU CA C 105 55.294 55.961 -0.667 1
1 1154 . 9 1 1 A 105 105 LEU HA H 105 3.845 4.271 -0.426 1
1 1155 . 9 1 1 A 105 105 LEU CB C 105 39.148 43.083 -3.935 1
1 1168 . 9 1 1 A 106 106 SER N N 106 111.669 115.302 -3.633 1
1 1169 . 9 1 1 A 106 106 SER H H 106 7.338 7.721 -0.383 1
1 1170 . 9 1 1 A 106 106 SER CA C 106 54.750 57.281 -2.531 1
1 1171 . 9 1 1 A 106 106 SER HA H 106 4.347 4.614 -0.267 1
1 1172 . 9 1 1 A 106 106 SER CB C 106 64.133 62.794 1.339 1
1 1175 . 9 1 1 A 107 107 PRO CA C 107 62.344 62.461 -0.117 1
1 1176 . 9 1 1 A 107 107 PRO HA H 107 5.323 4.982 0.341 1
1 1177 . 9 1 1 A 107 107 PRO CB C 107 33.977 32.942 1.035 1
1 1183 . 9 1 1 A 107 107 PRO C C 107 176.003 174.783 1.220 1
1 1187 . 9 1 1 A 108 108 TYR N N 108 122.832 119.305 3.527 1
1 1188 . 9 1 1 A 108 108 TYR H H 108 9.294 8.674 0.620 1
1 1189 . 9 1 1 A 108 108 TYR CA C 108 57.629 56.685 0.944 1
1 1190 . 9 1 1 A 108 108 TYR HA H 108 4.428 4.985 -0.557 1
1 1191 . 9 1 1 A 108 108 TYR CB C 108 40.091 41.604 -1.513 1
1 1201 . 9 1 1 A 108 108 TYR C C 108 175.851 175.236 0.615 1
1 1203 . 9 1 1 A 109 109 ARG N N 109 122.941 122.101 0.840 1
1 1204 . 9 1 1 A 109 109 ARG H H 109 8.746 8.757 -0.011 1
1 1205 . 9 1 1 A 109 109 ARG CA C 109 55.259 55.306 -0.047 1
1 1206 . 9 1 1 A 109 109 ARG HA H 109 5.189 4.985 0.204 1
1 1207 . 9 1 1 A 109 109 ARG CB C 109 30.879 31.521 -0.642 1
1 1213 . 9 1 1 A 109 109 ARG C C 109 175.522 175.537 -0.015 1
1 1217 . 9 1 1 A 110 110 ILE N N 110 125.109 122.944 2.165 1
1 1218 . 9 1 1 A 110 110 ILE H H 110 8.742 8.417 0.325 1
1 1219 . 9 1 1 A 110 110 ILE CA C 110 57.577 59.752 -2.175 1
1 1220 . 9 1 1 A 110 110 ILE HA H 110 4.758 4.816 -0.058 1
1 1221 . 9 1 1 A 110 110 ILE CB C 110 41.138 42.454 -1.316 1
1 1233 . 9 1 1 A 110 110 ILE C C 110 175.121 174.772 0.349 1
1 1235 . 9 1 1 A 111 111 ARG N N 111 125.357 124.989 0.368 1
1 1236 . 9 1 1 A 111 111 ARG H H 111 8.776 8.813 -0.037 1
1 1237 . 9 1 1 A 111 111 ARG CA C 111 54.730 53.935 0.795 1
1 1238 . 9 1 1 A 111 111 ARG HA H 111 5.053 5.082 -0.029 1
1 1239 . 9 1 1 A 111 111 ARG CB C 111 32.685 32.738 -0.053 1
1 1245 . 9 1 1 A 111 111 ARG C C 111 174.163 175.004 -0.841 1
1 1249 . 9 1 1 A 112 112 ALA N N 112 127.119 127.906 -0.787 1
1 1250 . 9 1 1 A 112 112 ALA H H 112 9.208 9.012 0.196 1
1 1251 . 9 1 1 A 112 112 ALA CA C 112 49.945 51.201 -1.256 1
1 1252 . 9 1 1 A 112 112 ALA HA H 112 5.851 4.828 1.023 1
1 1253 . 9 1 1 A 112 112 ALA CB C 112 21.329 19.984 1.345 1
1 1257 . 9 1 1 A 112 112 ALA C C 112 178.853 177.006 1.847 1
1 1258 . 9 1 1 A 113 113 THR N N 113 116.033 115.843 0.190 1
1 1259 . 9 1 1 A 113 113 THR H H 113 8.995 8.737 0.258 1
1 1260 . 9 1 1 A 113 113 THR CA C 113 60.312 60.822 -0.510 1
1 1261 . 9 1 1 A 113 113 THR HA H 113 4.695 4.949 -0.254 1
1 1262 . 9 1 1 A 113 113 THR CB C 113 71.251 70.015 1.236 1
1 1268 . 9 1 1 A 113 113 THR C C 113 173.710 173.720 -0.010 1
1 1269 . 9 1 1 A 114 114 GLN N N 114 122.122 125.498 -3.376 1
1 1270 . 9 1 1 A 114 114 GLN H H 114 8.753 8.927 -0.174 1
1 1271 . 9 1 1 A 114 114 GLN CA C 114 55.817 54.687 1.130 1
1 1272 . 9 1 1 A 114 114 GLN HA H 114 4.570 4.963 -0.393 1
1 1273 . 9 1 1 A 114 114 GLN CB C 114 30.106 30.408 -0.302 1
1 1280 . 9 1 1 A 114 114 GLN C C 114 176.106 174.578 1.528 1
1 1283 . 9 1 1 A 115 115 THR N N 115 117.345 121.633 -4.288 1
1 1284 . 9 1 1 A 115 115 THR H H 115 8.493 8.803 -0.310 1
1 1285 . 9 1 1 A 115 115 THR CA C 115 62.328 61.414 0.914 1
1 1286 . 9 1 1 A 115 115 THR HA H 115 4.351 4.938 -0.587 1
1 1287 . 9 1 1 A 115 115 THR CB C 115 69.874 71.485 -1.611 1
1 1293 . 9 1 1 A 115 115 THR C C 115 175.158 173.590 1.568 1
1 1294 . 9 1 1 A 116 116 GLY N N 116 111.927 112.513 -0.586 1
1 1295 . 9 1 1 A 116 116 GLY H H 116 8.559 8.593 -0.034 1
1 1296 . 9 1 1 A 116 116 GLY CA C 116 45.315 45.268 0.047 1
1 1297 . 9 1 1 A 116 116 GLY HA3 H 116 3.934 4.301 -0.367 1
1 1298 . 9 1 1 A 116 116 GLY C C 116 173.820 172.363 1.457 1
1 1299 . 9 1 1 A 116 116 GLY HA2 H 116 4.030 4.300 -0.270 1
1 1300 . 9 1 1 A 117 117 ASP N N 117 120.643 123.436 -2.793 1
1 1301 . 9 1 1 A 117 117 ASP H H 117 8.208 8.818 -0.610 1
1 1302 . 9 1 1 A 117 117 ASP CA C 117 54.393 54.375 0.018 1
1 1303 . 9 1 1 A 117 117 ASP HA H 117 4.615 4.606 0.009 1
1 1304 . 9 1 1 A 117 117 ASP CB C 117 41.388 42.102 -0.714 1
1 1306 . 9 1 1 A 117 117 ASP C C 117 175.973 175.427 0.546 1
1 1308 . 9 1 1 A 118 118 ALA N N 118 124.934 125.074 -0.140 1
1 1309 . 9 1 1 A 118 118 ALA H H 118 8.312 8.572 -0.260 1
1 1310 . 9 1 1 A 118 118 ALA CA C 118 52.447 53.257 -0.810 1
1 1311 . 9 1 1 A 118 118 ALA HA H 118 4.415 4.423 -0.008 1
1 1312 . 9 1 1 A 118 118 ALA CB C 118 19.339 20.624 -1.285 1
1 1316 . 9 1 1 A 118 118 ALA C C 118 176.848 177.587 -0.739 1
1 1 . 10 1 1 A 9 9 SER HA H 9 4.733 4.540 0.193 1
1 2 . 10 1 1 A 10 10 PRO CA C 10 63.335 64.521 -1.186 1
1 3 . 10 1 1 A 10 10 PRO HA H 10 4.399 4.463 -0.064 1
1 4 . 10 1 1 A 10 10 PRO CB C 10 31.938 31.863 0.075 1
1 10 . 10 1 1 A 10 10 PRO C C 10 176.442 177.061 -0.619 1
1 14 . 10 1 1 A 11 11 PHE N N 11 119.801 115.370 4.431 1
1 15 . 10 1 1 A 11 11 PHE H H 11 8.036 8.053 -0.017 1
1 16 . 10 1 1 A 11 11 PHE CA C 11 57.505 58.584 -1.079 1
1 17 . 10 1 1 A 11 11 PHE HA H 11 4.606 4.085 0.521 1
1 18 . 10 1 1 A 11 11 PHE CB C 11 39.592 36.003 3.589 1
1 30 . 10 1 1 A 11 11 PHE C C 11 175.401 174.939 0.462 1
1 32 . 10 1 1 A 12 12 LYS N N 12 123.563 118.519 5.044 1
1 33 . 10 1 1 A 12 12 LYS H H 12 8.112 8.071 0.041 1
1 34 . 10 1 1 A 12 12 LYS CA C 12 56.175 55.331 0.844 1
1 35 . 10 1 1 A 12 12 LYS HA H 12 4.322 4.433 -0.111 1
1 36 . 10 1 1 A 12 12 LYS CB C 12 33.352 30.861 2.491 1
1 44 . 10 1 1 A 12 12 LYS C C 12 175.802 174.690 1.112 1
1 49 . 10 1 1 A 13 13 VAL N N 13 122.071 122.794 -0.723 1
1 50 . 10 1 1 A 13 13 VAL H H 13 8.080 8.112 -0.032 1
1 51 . 10 1 1 A 13 13 VAL CA C 13 62.280 60.702 1.578 1
1 52 . 10 1 1 A 13 13 VAL HA H 13 4.036 4.728 -0.692 1
1 53 . 10 1 1 A 13 13 VAL CB C 13 32.895 35.581 -2.686 1
1 63 . 10 1 1 A 13 13 VAL C C 13 175.814 174.903 0.911 1
1 64 . 10 1 1 A 14 14 LYS N N 14 125.874 126.212 -0.338 1
1 65 . 10 1 1 A 14 14 LYS H H 14 8.392 8.835 -0.443 1
1 66 . 10 1 1 A 14 14 LYS CA C 14 56.250 55.352 0.898 1
1 67 . 10 1 1 A 14 14 LYS HA H 14 4.322 4.803 -0.481 1
1 68 . 10 1 1 A 14 14 LYS CB C 14 33.193 32.901 0.292 1
1 73 . 10 1 1 A 14 14 LYS C C 14 175.973 175.241 0.732 1
1 75 . 10 1 1 A 15 15 VAL N N 15 123.129 116.275 6.854 1
1 76 . 10 1 1 A 15 15 VAL H H 15 8.204 7.535 0.669 1
1 77 . 10 1 1 A 15 15 VAL CA C 15 62.033 58.856 3.177 1
1 78 . 10 1 1 A 15 15 VAL HA H 15 4.100 4.851 -0.751 1
1 79 . 10 1 1 A 15 15 VAL CB C 15 32.858 35.529 -2.671 1
1 89 . 10 1 1 A 15 15 VAL C C 15 175.717 174.965 0.752 1
1 90 . 10 1 1 A 16 16 LEU N N 16 127.971 125.644 2.327 1
1 91 . 10 1 1 A 16 16 LEU H H 16 8.378 8.486 -0.108 1
1 92 . 10 1 1 A 16 16 LEU CA C 16 52.885 53.958 -1.073 1
1 93 . 10 1 1 A 16 16 LEU HA H 16 4.624 4.352 0.272 1
1 94 . 10 1 1 A 16 16 LEU CB C 16 41.706 41.658 0.048 1
1 106 . 10 1 1 A 16 16 LEU C C 16 175.092 174.907 0.185 1
1 108 . 10 1 1 A 17 17 PRO CA C 17 62.704 62.444 0.260 1
1 109 . 10 1 1 A 17 17 PRO HA H 17 4.556 4.666 -0.110 1
1 110 . 10 1 1 A 17 17 PRO CB C 17 32.293 32.724 -0.431 1
1 116 . 10 1 1 A 17 17 PRO C C 17 177.319 176.741 0.578 1
1 120 . 10 1 1 A 18 18 THR N N 18 112.726 113.604 -0.878 1
1 121 . 10 1 1 A 18 18 THR H H 18 8.497 8.712 -0.215 1
1 122 . 10 1 1 A 18 18 THR CA C 18 62.335 63.584 -1.249 1
1 123 . 10 1 1 A 18 18 THR HA H 18 4.352 4.345 0.007 1
1 124 . 10 1 1 A 18 18 THR CB C 18 69.700 69.362 0.338 1
1 130 . 10 1 1 A 18 18 THR C C 18 173.418 174.647 -1.229 1
1 131 . 10 1 1 A 19 19 TYR N N 19 118.883 120.371 -1.488 1
1 132 . 10 1 1 A 19 19 TYR H H 19 7.244 7.752 -0.508 1
1 133 . 10 1 1 A 19 19 TYR CA C 19 55.270 57.945 -2.675 1
1 134 . 10 1 1 A 19 19 TYR HA H 19 5.404 4.571 0.833 1
1 135 . 10 1 1 A 19 19 TYR CB C 19 40.974 39.741 1.233 1
1 145 . 10 1 1 A 19 19 TYR C C 19 174.318 175.272 -0.954 1
1 147 . 10 1 1 A 20 20 ASP N N 20 118.193 119.858 -1.665 1
1 148 . 10 1 1 A 20 20 ASP H H 20 8.686 8.879 -0.193 1
1 149 . 10 1 1 A 20 20 ASP CA C 20 53.226 53.349 -0.123 1
1 150 . 10 1 1 A 20 20 ASP HA H 20 4.539 5.062 -0.523 1
1 151 . 10 1 1 A 20 20 ASP CB C 20 41.490 43.481 -1.991 1
1 153 . 10 1 1 A 20 20 ASP C C 20 176.349 176.144 0.205 1
1 155 . 10 1 1 A 21 21 ALA N N 21 127.255 128.629 -1.374 1
1 156 . 10 1 1 A 21 21 ALA H H 21 9.404 9.125 0.279 1
1 157 . 10 1 1 A 21 21 ALA CA C 21 55.157 55.669 -0.512 1
1 158 . 10 1 1 A 21 21 ALA HA H 21 4.204 4.140 0.064 1
1 159 . 10 1 1 A 21 21 ALA CB C 21 19.890 18.316 1.574 1
1 163 . 10 1 1 A 21 21 ALA C C 21 178.113 179.872 -1.759 1
1 164 . 10 1 1 A 22 22 SER N N 22 110.959 112.915 -1.956 1
1 165 . 10 1 1 A 22 22 SER H H 22 8.397 8.262 0.135 1
1 166 . 10 1 1 A 22 22 SER CA C 22 60.794 61.523 -0.729 1
1 167 . 10 1 1 A 22 22 SER HA H 22 4.363 4.259 0.104 1
1 168 . 10 1 1 A 22 22 SER CB C 22 62.850 62.499 0.351 1
1 170 . 10 1 1 A 22 22 SER C C 22 175.425 175.901 -0.476 1
1 172 . 10 1 1 A 23 23 LYS N N 23 119.671 118.316 1.355 1
1 173 . 10 1 1 A 23 23 LYS H H 23 7.366 7.485 -0.119 1
1 174 . 10 1 1 A 23 23 LYS CA C 23 54.818 55.945 -1.127 1
1 175 . 10 1 1 A 23 23 LYS HA H 23 4.368 4.429 -0.061 1
1 176 . 10 1 1 A 23 23 LYS CB C 23 33.063 32.156 0.907 1
1 184 . 10 1 1 A 23 23 LYS C C 23 176.544 174.806 1.738 1
1 189 . 10 1 1 A 24 24 VAL N N 24 123.377 119.710 3.667 1
1 190 . 10 1 1 A 24 24 VAL H H 24 7.392 7.321 0.071 1
1 191 . 10 1 1 A 24 24 VAL CA C 24 62.722 61.194 1.528 1
1 192 . 10 1 1 A 24 24 VAL HA H 24 4.184 4.612 -0.428 1
1 193 . 10 1 1 A 24 24 VAL CB C 24 31.780 33.812 -2.032 1
1 203 . 10 1 1 A 24 24 VAL C C 24 175.644 175.161 0.483 1
1 204 . 10 1 1 A 25 25 THR N N 25 117.441 117.701 -0.260 1
1 205 . 10 1 1 A 25 25 THR H H 25 8.384 8.893 -0.509 1
1 206 . 10 1 1 A 25 25 THR CA C 25 59.858 60.049 -0.191 1
1 207 . 10 1 1 A 25 25 THR HA H 25 4.784 5.223 -0.439 1
1 208 . 10 1 1 A 25 25 THR CB C 25 71.687 72.114 -0.427 1
1 214 . 10 1 1 A 25 25 THR C C 25 172.360 173.360 -1.000 1
1 215 . 10 1 1 A 26 26 ALA N N 26 123.956 124.813 -0.857 1
1 216 . 10 1 1 A 26 26 ALA H H 26 8.440 8.833 -0.393 1
1 217 . 10 1 1 A 26 26 ALA CA C 26 51.022 50.469 0.553 1
1 218 . 10 1 1 A 26 26 ALA HA H 26 5.575 5.425 0.150 1
1 219 . 10 1 1 A 26 26 ALA CB C 26 22.576 23.447 -0.871 1
1 223 . 10 1 1 A 26 26 ALA C C 26 176.301 175.512 0.789 1
1 224 . 10 1 1 A 27 27 SER N N 27 114.430 114.381 0.049 1
1 225 . 10 1 1 A 27 27 SER H H 27 9.021 8.485 0.536 1
1 226 . 10 1 1 A 27 27 SER CA C 27 57.771 57.438 0.333 1
1 227 . 10 1 1 A 27 27 SER HA H 27 4.745 5.261 -0.516 1
1 228 . 10 1 1 A 27 27 SER CB C 27 65.911 67.433 -1.522 1
1 230 . 10 1 1 A 27 27 SER C C 27 172.798 173.039 -0.241 1
1 232 . 10 1 1 A 28 28 GLY N N 28 108.618 110.029 -1.411 1
1 233 . 10 1 1 A 28 28 GLY H H 28 8.516 8.421 0.095 1
1 234 . 10 1 1 A 28 28 GLY CA C 28 44.966 44.516 0.450 1
1 235 . 10 1 1 A 28 28 GLY HA3 H 28 4.102 4.271 -0.169 1
1 236 . 10 1 1 A 28 28 GLY C C 28 173.392 174.155 -0.763 1
1 237 . 10 1 1 A 28 28 GLY HA2 H 28 5.026 4.233 0.793 1
1 238 . 10 1 1 A 29 29 PRO CA C 29 65.446 65.024 0.422 1
1 239 . 10 1 1 A 29 29 PRO HA H 29 4.399 4.431 -0.032 1
1 240 . 10 1 1 A 29 29 PRO CB C 29 31.739 32.066 -0.327 1
1 246 . 10 1 1 A 29 29 PRO C C 29 179.804 178.575 1.229 1
1 250 . 10 1 1 A 30 30 GLY N N 30 103.199 106.050 -2.851 1
1 251 . 10 1 1 A 30 30 GLY H H 30 9.156 8.550 0.606 1
1 252 . 10 1 1 A 30 30 GLY CA C 30 46.458 47.029 -0.571 1
1 253 . 10 1 1 A 30 30 GLY HA3 H 30 3.331 4.397 -1.066 1
1 254 . 10 1 1 A 30 30 GLY C C 30 171.694 174.743 -3.049 1
1 255 . 10 1 1 A 30 30 GLY HA2 H 30 4.062 4.224 -0.162 1
1 256 . 10 1 1 A 31 31 LEU N N 31 116.112 119.587 -3.475 1
1 257 . 10 1 1 A 31 31 LEU H H 31 7.351 7.805 -0.454 1
1 258 . 10 1 1 A 31 31 LEU CA C 31 52.607 54.223 -1.616 1
1 259 . 10 1 1 A 31 31 LEU HA H 31 4.269 4.618 -0.349 1
1 260 . 10 1 1 A 31 31 LEU CB C 31 41.265 42.132 -0.867 1
1 272 . 10 1 1 A 31 31 LEU C C 31 176.751 176.181 0.570 1
1 274 . 10 1 1 A 32 32 SER N N 32 114.056 118.031 -3.975 1
1 275 . 10 1 1 A 32 32 SER H H 32 6.986 7.903 -0.917 1
1 276 . 10 1 1 A 32 32 SER CA C 32 58.750 58.368 0.382 1
1 277 . 10 1 1 A 32 32 SER HA H 32 4.268 4.343 -0.075 1
1 278 . 10 1 1 A 32 32 SER CB C 32 64.571 64.257 0.314 1
1 280 . 10 1 1 A 32 32 SER C C 32 176.483 175.491 0.992 1
1 282 . 10 1 1 A 33 33 SER N N 33 123.249 123.530 -0.281 1
1 283 . 10 1 1 A 33 33 SER H H 33 8.887 8.840 0.047 1
1 284 . 10 1 1 A 33 33 SER CA C 33 60.176 61.298 -1.122 1
1 285 . 10 1 1 A 33 33 SER HA H 33 4.409 4.068 0.341 1
1 286 . 10 1 1 A 33 33 SER CB C 33 63.098 62.211 0.887 1
1 288 . 10 1 1 A 33 33 SER C C 33 174.922 175.923 -1.001 1
1 290 . 10 1 1 A 34 34 TYR N N 34 120.641 119.651 0.990 1
1 291 . 10 1 1 A 34 34 TYR H H 34 8.225 7.642 0.583 1
1 292 . 10 1 1 A 34 34 TYR CA C 34 58.266 60.064 -1.798 1
1 293 . 10 1 1 A 34 34 TYR HA H 34 4.622 4.318 0.304 1
1 294 . 10 1 1 A 34 34 TYR CB C 34 38.478 38.691 -0.213 1
1 304 . 10 1 1 A 34 34 TYR C C 34 175.881 176.119 -0.238 1
1 306 . 10 1 1 A 35 35 GLY N N 35 109.142 105.564 3.578 1
1 307 . 10 1 1 A 35 35 GLY H H 35 7.416 7.113 0.303 1
1 308 . 10 1 1 A 35 35 GLY CA C 35 44.524 44.651 -0.127 1
1 309 . 10 1 1 A 35 35 GLY HA3 H 35 4.411 4.110 0.301 1
1 310 . 10 1 1 A 35 35 GLY C C 35 172.956 172.412 0.544 1
1 311 . 10 1 1 A 35 35 GLY HA2 H 35 4.324 4.101 0.223 1
1 312 . 10 1 1 A 36 36 VAL N N 36 116.841 116.698 0.143 1
1 313 . 10 1 1 A 36 36 VAL H H 36 8.617 8.383 0.234 1
1 314 . 10 1 1 A 36 36 VAL CA C 36 57.700 58.089 -0.389 1
1 315 . 10 1 1 A 36 36 VAL HA H 36 4.880 4.991 -0.111 1
1 316 . 10 1 1 A 36 36 VAL CB C 36 33.474 33.753 -0.279 1
1 326 . 10 1 1 A 36 36 VAL C C 36 173.489 173.587 -0.098 1
1 327 . 10 1 1 A 37 37 PRO CA C 37 62.200 62.122 0.078 1
1 328 . 10 1 1 A 37 37 PRO HA H 37 4.646 4.570 0.076 1
1 329 . 10 1 1 A 37 37 PRO CB C 37 31.876 32.481 -0.605 1
1 335 . 10 1 1 A 37 37 PRO C C 37 177.148 177.411 -0.263 1
1 339 . 10 1 1 A 38 38 ALA N N 38 124.330 124.524 -0.194 1
1 340 . 10 1 1 A 38 38 ALA H H 38 8.591 8.284 0.307 1
1 341 . 10 1 1 A 38 38 ALA CA C 38 52.606 52.931 -0.325 1
1 342 . 10 1 1 A 38 38 ALA HA H 38 4.189 4.121 0.068 1
1 343 . 10 1 1 A 38 38 ALA CB C 38 18.928 19.160 -0.232 1
1 347 . 10 1 1 A 38 38 ALA C C 38 178.418 178.108 0.310 1
1 348 . 10 1 1 A 39 39 SER N N 39 109.435 113.113 -3.678 1
1 349 . 10 1 1 A 39 39 SER H H 39 8.687 8.627 0.060 1
1 350 . 10 1 1 A 39 39 SER CA C 39 61.147 59.546 1.601 1
1 351 . 10 1 1 A 39 39 SER HA H 39 3.770 4.064 -0.294 1
1 352 . 10 1 1 A 39 39 SER CB C 39 62.322 61.872 0.450 1
1 354 . 10 1 1 A 39 39 SER C C 39 172.372 173.270 -0.898 1
1 356 . 10 1 1 A 40 40 LEU N N 40 121.668 121.352 0.316 1
1 357 . 10 1 1 A 40 40 LEU H H 40 6.981 7.624 -0.643 1
1 358 . 10 1 1 A 40 40 LEU CA C 40 51.707 50.947 0.760 1
1 359 . 10 1 1 A 40 40 LEU HA H 40 4.890 4.722 0.168 1
1 360 . 10 1 1 A 40 40 LEU CB C 40 43.441 44.969 -1.528 1
1 372 . 10 1 1 A 40 40 LEU C C 40 173.635 175.021 -1.386 1
1 374 . 10 1 1 A 41 41 PRO CA C 41 62.683 62.296 0.387 1
1 375 . 10 1 1 A 41 41 PRO HA H 41 4.490 4.667 -0.177 1
1 376 . 10 1 1 A 41 41 PRO CB C 41 31.415 30.990 0.425 1
1 382 . 10 1 1 A 41 41 PRO C C 41 175.540 175.213 0.327 1
1 386 . 10 1 1 A 42 42 VAL N N 42 124.505 122.615 1.890 1
1 387 . 10 1 1 A 42 42 VAL H H 42 8.917 7.797 1.120 1
1 388 . 10 1 1 A 42 42 VAL CA C 42 60.282 59.402 0.880 1
1 389 . 10 1 1 A 42 42 VAL HA H 42 4.408 4.634 -0.226 1
1 390 . 10 1 1 A 42 42 VAL CB C 42 34.522 34.435 0.087 1
1 400 . 10 1 1 A 42 42 VAL C C 42 171.180 174.182 -3.002 1
1 401 . 10 1 1 A 43 43 ASP N N 43 121.538 126.716 -5.178 1
1 402 . 10 1 1 A 43 43 ASP H H 43 7.549 9.030 -1.481 1
1 403 . 10 1 1 A 43 43 ASP CA C 43 51.968 52.319 -0.351 1
1 404 . 10 1 1 A 43 43 ASP HA H 43 6.324 5.746 0.578 1
1 405 . 10 1 1 A 43 43 ASP CB C 43 44.949 44.559 0.390 1
1 407 . 10 1 1 A 43 43 ASP C C 43 177.711 174.685 3.026 1
1 409 . 10 1 1 A 44 44 PHE N N 44 112.517 117.286 -4.769 1
1 410 . 10 1 1 A 44 44 PHE H H 44 9.044 7.837 1.207 1
1 411 . 10 1 1 A 44 44 PHE CA C 44 57.658 54.952 2.706 1
1 412 . 10 1 1 A 44 44 PHE HA H 44 5.069 5.477 -0.408 1
1 413 . 10 1 1 A 44 44 PHE CB C 44 41.220 42.054 -0.834 1
1 425 . 10 1 1 A 44 44 PHE C C 44 171.679 173.161 -1.482 1
1 427 . 10 1 1 A 45 45 ALA N N 45 123.935 121.081 2.854 1
1 428 . 10 1 1 A 45 45 ALA H H 45 9.468 8.917 0.551 1
1 429 . 10 1 1 A 45 45 ALA CA C 45 50.855 50.721 0.134 1
1 430 . 10 1 1 A 45 45 ALA HA H 45 5.379 5.497 -0.118 1
1 431 . 10 1 1 A 45 45 ALA CB C 45 22.496 22.389 0.107 1
1 435 . 10 1 1 A 45 45 ALA C C 45 176.715 175.946 0.769 1
1 436 . 10 1 1 A 46 46 ILE N N 46 119.530 123.217 -3.687 1
1 437 . 10 1 1 A 46 46 ILE H H 46 8.686 9.563 -0.877 1
1 438 . 10 1 1 A 46 46 ILE CA C 46 59.561 60.834 -1.273 1
1 439 . 10 1 1 A 46 46 ILE HA H 46 4.863 4.737 0.126 1
1 440 . 10 1 1 A 46 46 ILE CB C 46 41.370 38.006 3.364 1
1 452 . 10 1 1 A 46 46 ILE C C 46 174.379 174.064 0.315 1
1 454 . 10 1 1 A 47 47 ASP N N 47 127.143 129.140 -1.997 1
1 455 . 10 1 1 A 47 47 ASP H H 47 9.281 8.750 0.531 1
1 456 . 10 1 1 A 47 47 ASP CA C 47 53.297 52.984 0.313 1
1 457 . 10 1 1 A 47 47 ASP HA H 47 4.976 4.909 0.067 1
1 458 . 10 1 1 A 47 47 ASP CB C 47 41.371 41.350 0.021 1
1 460 . 10 1 1 A 47 47 ASP C C 47 174.962 175.037 -0.075 1
1 462 . 10 1 1 A 48 48 ALA N N 48 129.371 129.579 -0.208 1
1 463 . 10 1 1 A 48 48 ALA H H 48 9.078 8.639 0.439 1
1 464 . 10 1 1 A 48 48 ALA CA C 48 50.554 50.785 -0.231 1
1 465 . 10 1 1 A 48 48 ALA HA H 48 4.641 4.897 -0.256 1
1 466 . 10 1 1 A 48 48 ALA CB C 48 19.699 20.634 -0.935 1
1 470 . 10 1 1 A 48 48 ALA C C 48 179.317 176.526 2.791 1
1 471 . 10 1 1 A 49 49 ARG N N 49 122.060 124.634 -2.574 1
1 472 . 10 1 1 A 49 49 ARG H H 49 8.590 8.929 -0.339 1
1 473 . 10 1 1 A 49 49 ARG CA C 49 60.964 57.497 3.467 1
1 474 . 10 1 1 A 49 49 ARG HA H 49 3.987 4.489 -0.502 1
1 475 . 10 1 1 A 49 49 ARG CB C 49 30.654 31.292 -0.638 1
1 483 . 10 1 1 A 49 49 ARG C C 49 178.077 176.946 1.131 1
1 487 . 10 1 1 A 50 50 ASP N N 50 116.664 116.174 0.490 1
1 488 . 10 1 1 A 50 50 ASP H H 50 8.794 7.991 0.803 1
1 489 . 10 1 1 A 50 50 ASP CA C 50 53.827 53.577 0.250 1
1 490 . 10 1 1 A 50 50 ASP HA H 50 5.040 4.923 0.117 1
1 491 . 10 1 1 A 50 50 ASP CB C 50 41.595 41.636 -0.041 1
1 493 . 10 1 1 A 50 50 ASP C C 50 175.754 176.471 -0.717 1
1 495 . 10 1 1 A 51 51 ALA N N 51 121.173 122.486 -1.313 1
1 496 . 10 1 1 A 51 51 ALA H H 51 7.406 7.832 -0.426 1
1 497 . 10 1 1 A 51 51 ALA CA C 51 52.147 51.696 0.451 1
1 498 . 10 1 1 A 51 51 ALA HA H 51 4.414 4.424 -0.010 1
1 499 . 10 1 1 A 51 51 ALA CB C 51 23.427 18.850 4.577 1
1 503 . 10 1 1 A 51 51 ALA C C 51 176.763 177.917 -1.154 1
1 504 . 10 1 1 A 52 52 GLY N N 52 108.187 107.324 0.863 1
1 505 . 10 1 1 A 52 52 GLY H H 52 8.521 8.095 0.426 1
1 506 . 10 1 1 A 52 52 GLY CA C 52 45.210 45.876 -0.666 1
1 507 . 10 1 1 A 52 52 GLY HA3 H 52 3.859 4.026 -0.167 1
1 508 . 10 1 1 A 52 52 GLY C C 52 175.060 173.787 1.273 1
1 509 . 10 1 1 A 52 52 GLY HA2 H 52 4.492 3.983 0.509 1
1 510 . 10 1 1 A 53 53 GLU N N 53 124.810 119.628 5.182 1
1 511 . 10 1 1 A 53 53 GLU H H 53 8.643 8.423 0.220 1
1 512 . 10 1 1 A 53 53 GLU CA C 53 56.352 54.877 1.475 1
1 513 . 10 1 1 A 53 53 GLU HA H 53 4.663 5.303 -0.640 1
1 514 . 10 1 1 A 53 53 GLU CB C 53 31.164 31.771 -0.607 1
1 518 . 10 1 1 A 53 53 GLU C C 53 173.491 174.680 -1.189 1
1 521 . 10 1 1 A 54 54 GLY N N 54 111.417 110.122 1.295 1
1 522 . 10 1 1 A 54 54 GLY H H 54 7.465 8.662 -1.197 1
1 523 . 10 1 1 A 54 54 GLY CA C 54 43.622 44.895 -1.273 1
1 524 . 10 1 1 A 54 54 GLY HA3 H 54 2.287 4.158 -1.871 1
1 525 . 10 1 1 A 54 54 GLY C C 54 170.013 171.547 -1.534 1
1 526 . 10 1 1 A 54 54 GLY HA2 H 54 3.819 3.936 -0.117 1
1 527 . 10 1 1 A 55 55 LEU N N 55 117.446 122.210 -4.764 1
1 528 . 10 1 1 A 55 55 LEU H H 55 7.461 7.992 -0.531 1
1 529 . 10 1 1 A 55 55 LEU CA C 55 54.041 53.972 0.069 1
1 530 . 10 1 1 A 55 55 LEU HA H 55 4.293 4.453 -0.160 1
1 531 . 10 1 1 A 55 55 LEU CB C 55 42.832 43.079 -0.247 1
1 543 . 10 1 1 A 55 55 LEU C C 55 176.872 175.417 1.455 1
1 545 . 10 1 1 A 56 56 LEU N N 56 131.840 128.495 3.345 1
1 546 . 10 1 1 A 56 56 LEU H H 56 8.791 8.491 0.300 1
1 547 . 10 1 1 A 56 56 LEU CA C 56 53.807 55.233 -1.426 1
1 548 . 10 1 1 A 56 56 LEU HA H 56 5.053 4.338 0.715 1
1 549 . 10 1 1 A 56 56 LEU CB C 56 43.113 42.546 0.567 1
1 561 . 10 1 1 A 56 56 LEU C C 56 175.389 174.990 0.399 1
1 563 . 10 1 1 A 57 57 ALA N N 57 130.035 129.446 0.589 1
1 564 . 10 1 1 A 57 57 ALA H H 57 8.880 8.395 0.485 1
1 565 . 10 1 1 A 57 57 ALA CA C 57 51.758 50.499 1.259 1
1 566 . 10 1 1 A 57 57 ALA HA H 57 4.641 5.182 -0.541 1
1 567 . 10 1 1 A 57 57 ALA CB C 57 21.820 21.876 -0.056 1
1 571 . 10 1 1 A 57 57 ALA C C 57 174.647 175.412 -0.765 1
1 572 . 10 1 1 A 58 58 VAL N N 58 120.958 123.884 -2.926 1
1 573 . 10 1 1 A 58 58 VAL H H 58 8.443 9.073 -0.630 1
1 574 . 10 1 1 A 58 58 VAL CA C 58 60.495 61.766 -1.271 1
1 575 . 10 1 1 A 58 58 VAL HA H 58 4.988 4.559 0.429 1
1 576 . 10 1 1 A 58 58 VAL CB C 58 34.639 32.725 1.914 1
1 586 . 10 1 1 A 58 58 VAL C C 58 174.646 174.088 0.558 1
1 587 . 10 1 1 A 59 59 GLN N N 59 127.048 128.648 -1.600 1
1 588 . 10 1 1 A 59 59 GLN H H 59 9.196 9.136 0.060 1
1 589 . 10 1 1 A 59 59 GLN CA C 59 54.587 54.336 0.251 1
1 590 . 10 1 1 A 59 59 GLN HA H 59 4.706 4.961 -0.255 1
1 591 . 10 1 1 A 59 59 GLN CB C 59 31.580 30.713 0.867 1
1 598 . 10 1 1 A 59 59 GLN C C 59 174.197 174.527 -0.330 1
1 601 . 10 1 1 A 60 60 ILE N N 60 127.617 127.535 0.082 1
1 602 . 10 1 1 A 60 60 ILE H H 60 9.299 9.063 0.236 1
1 603 . 10 1 1 A 60 60 ILE CA C 60 60.506 60.279 0.227 1
1 604 . 10 1 1 A 60 60 ILE HA H 60 5.210 4.928 0.282 1
1 605 . 10 1 1 A 60 60 ILE CB C 60 39.172 40.314 -1.142 1
1 617 . 10 1 1 A 60 60 ILE C C 60 175.608 175.504 0.104 1
1 619 . 10 1 1 A 61 61 THR N N 61 119.733 118.783 0.950 1
1 620 . 10 1 1 A 61 61 THR H H 61 8.924 8.919 0.005 1
1 621 . 10 1 1 A 61 61 THR CA C 61 59.565 59.394 0.171 1
1 622 . 10 1 1 A 61 61 THR HA H 61 5.173 5.311 -0.138 1
1 623 . 10 1 1 A 61 61 THR CB C 61 72.121 71.918 0.203 1
1 629 . 10 1 1 A 61 61 THR C C 61 174.051 172.673 1.378 1
1 630 . 10 1 1 A 62 62 ASP N N 62 122.337 122.069 0.268 1
1 631 . 10 1 1 A 62 62 ASP H H 62 8.484 8.734 -0.250 1
1 632 . 10 1 1 A 62 62 ASP CA C 62 52.200 51.504 0.696 1
1 633 . 10 1 1 A 62 62 ASP HA H 62 4.425 4.527 -0.102 1
1 634 . 10 1 1 A 62 62 ASP CB C 62 42.222 43.628 -1.406 1
1 636 . 10 1 1 A 62 62 ASP C C 62 179.086 177.359 1.727 1
1 638 . 10 1 1 A 63 63 GLN N N 63 118.341 121.563 -3.222 1
1 639 . 10 1 1 A 63 63 GLN H H 63 8.250 8.711 -0.461 1
1 640 . 10 1 1 A 63 63 GLN CA C 63 58.406 58.126 0.280 1
1 641 . 10 1 1 A 63 63 GLN HA H 63 4.049 4.038 0.011 1
1 642 . 10 1 1 A 63 63 GLN CB C 63 28.127 27.921 0.206 1
1 649 . 10 1 1 A 63 63 GLN C C 63 177.152 177.775 -0.623 1
1 652 . 10 1 1 A 64 64 GLU N N 64 119.134 119.556 -0.422 1
1 653 . 10 1 1 A 64 64 GLU H H 64 8.120 7.643 0.477 1
1 654 . 10 1 1 A 64 64 GLU CA C 64 55.790 57.171 -1.381 1
1 655 . 10 1 1 A 64 64 GLU HA H 64 4.423 4.364 0.059 1
1 656 . 10 1 1 A 64 64 GLU CB C 64 30.102 30.337 -0.235 1
1 660 . 10 1 1 A 64 64 GLU C C 64 176.374 176.720 -0.346 1
1 663 . 10 1 1 A 65 65 GLY N N 65 108.728 108.461 0.267 1
1 664 . 10 1 1 A 65 65 GLY H H 65 8.306 8.557 -0.251 1
1 665 . 10 1 1 A 65 65 GLY CA C 65 45.285 45.645 -0.360 1
1 666 . 10 1 1 A 65 65 GLY HA3 H 65 3.561 3.884 -0.323 1
1 667 . 10 1 1 A 65 65 GLY C C 65 174.342 174.326 0.016 1
1 668 . 10 1 1 A 65 65 GLY HA2 H 65 4.203 3.877 0.326 1
1 669 . 10 1 1 A 66 66 LYS N N 66 123.502 117.171 6.331 1
1 670 . 10 1 1 A 66 66 LYS H H 66 8.528 7.752 0.776 1
1 671 . 10 1 1 A 66 66 LYS CA C 66 53.738 54.109 -0.371 1
1 672 . 10 1 1 A 66 66 LYS HA H 66 4.613 4.662 -0.049 1
1 673 . 10 1 1 A 66 66 LYS CB C 66 31.167 33.140 -1.973 1
1 681 . 10 1 1 A 66 66 LYS C C 66 174.752 174.823 -0.071 1
1 686 . 10 1 1 A 67 67 PRO CA C 67 62.433 62.850 -0.417 1
1 687 . 10 1 1 A 67 67 PRO HA H 67 5.062 4.678 0.384 1
1 688 . 10 1 1 A 67 67 PRO CB C 67 32.725 31.824 0.901 1
1 694 . 10 1 1 A 67 67 PRO C C 67 177.270 176.593 0.677 1
1 698 . 10 1 1 A 68 68 LYS N N 68 121.461 121.796 -0.335 1
1 699 . 10 1 1 A 68 68 LYS H H 68 8.419 8.188 0.231 1
1 700 . 10 1 1 A 68 68 LYS CA C 68 52.023 54.919 -2.896 1
1 701 . 10 1 1 A 68 68 LYS HA H 68 4.797 4.870 -0.073 1
1 702 . 10 1 1 A 68 68 LYS CB C 68 32.611 34.639 -2.028 1
1 710 . 10 1 1 A 68 68 LYS C C 68 175.389 176.094 -0.705 1
1 715 . 10 1 1 A 69 69 ARG N N 69 124.040 123.236 0.804 1
1 716 . 10 1 1 A 69 69 ARG H H 69 8.683 8.637 0.046 1
1 717 . 10 1 1 A 69 69 ARG CA C 69 57.045 56.953 0.092 1
1 718 . 10 1 1 A 69 69 ARG HA H 69 4.221 4.423 -0.202 1
1 719 . 10 1 1 A 69 69 ARG CB C 69 30.712 30.652 0.060 1
1 725 . 10 1 1 A 69 69 ARG C C 69 174.877 175.651 -0.774 1
1 729 . 10 1 1 A 70 70 ALA N N 70 127.074 127.413 -0.339 1
1 730 . 10 1 1 A 70 70 ALA H H 70 8.421 8.650 -0.229 1
1 731 . 10 1 1 A 70 70 ALA CA C 70 50.360 50.302 0.058 1
1 732 . 10 1 1 A 70 70 ALA HA H 70 4.859 5.284 -0.425 1
1 733 . 10 1 1 A 70 70 ALA CB C 70 20.569 23.650 -3.081 1
1 737 . 10 1 1 A 70 70 ALA C C 70 176.313 175.566 0.747 1
1 738 . 10 1 1 A 71 71 ILE N N 71 124.496 120.245 4.251 1
1 739 . 10 1 1 A 71 71 ILE H H 71 8.943 8.964 -0.021 1
1 740 . 10 1 1 A 71 71 ILE CA C 71 60.870 59.970 0.900 1
1 741 . 10 1 1 A 71 71 ILE HA H 71 4.195 4.917 -0.722 1
1 742 . 10 1 1 A 71 71 ILE CB C 71 38.457 40.992 -2.535 1
1 754 . 10 1 1 A 71 71 ILE C C 71 175.027 174.121 0.906 1
1 756 . 10 1 1 A 72 72 VAL N N 72 128.410 127.753 0.657 1
1 757 . 10 1 1 A 72 72 VAL H H 72 8.714 8.954 -0.240 1
1 758 . 10 1 1 A 72 72 VAL CA C 72 61.867 59.396 2.471 1
1 759 . 10 1 1 A 72 72 VAL HA H 72 4.478 4.963 -0.485 1
1 760 . 10 1 1 A 72 72 VAL CB C 72 32.745 34.352 -1.607 1
1 770 . 10 1 1 A 72 72 VAL C C 72 175.279 173.171 2.108 1
1 771 . 10 1 1 A 73 73 HIS N N 73 129.084 126.701 2.383 1
1 772 . 10 1 1 A 73 73 HIS H H 73 9.783 9.356 0.427 1
1 773 . 10 1 1 A 73 73 HIS CA C 73 55.366 53.927 1.439 1
1 774 . 10 1 1 A 73 73 HIS HA H 73 4.849 5.226 -0.377 1
1 775 . 10 1 1 A 73 73 HIS CB C 73 31.465 32.638 -1.173 1
1 781 . 10 1 1 A 73 73 HIS C C 73 173.491 173.446 0.045 1
1 783 . 10 1 1 A 74 74 ASP N N 74 127.118 124.344 2.774 1
1 784 . 10 1 1 A 74 74 ASP H H 74 8.541 8.852 -0.311 1
1 785 . 10 1 1 A 74 74 ASP CA C 74 53.048 52.894 0.154 1
1 786 . 10 1 1 A 74 74 ASP HA H 74 4.476 4.842 -0.366 1
1 787 . 10 1 1 A 74 74 ASP CB C 74 41.554 42.231 -0.677 1
1 789 . 10 1 1 A 74 74 ASP C C 74 175.936 175.981 -0.045 1
1 791 . 10 1 1 A 75 75 ASN N N 75 124.002 124.379 -0.377 1
1 792 . 10 1 1 A 75 75 ASN H H 75 7.827 8.759 -0.932 1
1 793 . 10 1 1 A 75 75 ASN CA C 75 54.517 53.152 1.365 1
1 794 . 10 1 1 A 75 75 ASN HA H 75 4.572 4.770 -0.198 1
1 795 . 10 1 1 A 75 75 ASN CB C 75 38.091 39.593 -1.502 1
1 800 . 10 1 1 A 75 75 ASN C C 75 175.352 174.832 0.520 1
1 802 . 10 1 1 A 76 76 LYS N N 76 114.689 115.407 -0.718 1
1 803 . 10 1 1 A 76 76 LYS H H 76 9.246 7.706 1.540 1
1 804 . 10 1 1 A 76 76 LYS CA C 76 57.428 57.249 0.179 1
1 805 . 10 1 1 A 76 76 LYS HA H 76 3.882 3.852 0.030 1
1 806 . 10 1 1 A 76 76 LYS CB C 76 28.223 28.935 -0.712 1
1 814 . 10 1 1 A 76 76 LYS C C 76 174.975 175.980 -1.005 1
1 819 . 10 1 1 A 77 77 ASP N N 77 117.462 117.846 -0.384 1
1 820 . 10 1 1 A 77 77 ASP H H 77 7.831 8.556 -0.725 1
1 821 . 10 1 1 A 77 77 ASP CA C 77 52.168 53.015 -0.847 1
1 822 . 10 1 1 A 77 77 ASP HA H 77 4.706 4.805 -0.099 1
1 823 . 10 1 1 A 77 77 ASP CB C 77 41.224 41.363 -0.139 1
1 825 . 10 1 1 A 77 77 ASP C C 77 176.739 176.497 0.242 1
1 827 . 10 1 1 A 78 78 GLY N N 78 109.485 108.747 0.738 1
1 828 . 10 1 1 A 78 78 GLY H H 78 8.658 8.764 -0.106 1
1 829 . 10 1 1 A 78 78 GLY CA C 78 45.568 45.903 -0.335 1
1 830 . 10 1 1 A 78 78 GLY HA3 H 78 3.698 3.842 -0.144 1
1 831 . 10 1 1 A 78 78 GLY C C 78 172.263 173.428 -1.165 1
1 832 . 10 1 1 A 78 78 GLY HA2 H 78 4.323 3.820 0.503 1
1 833 . 10 1 1 A 79 79 THR N N 79 109.462 109.973 -0.511 1
1 834 . 10 1 1 A 79 79 THR H H 79 8.057 7.235 0.822 1
1 835 . 10 1 1 A 79 79 THR CA C 79 59.989 59.966 0.023 1
1 836 . 10 1 1 A 79 79 THR HA H 79 5.566 5.019 0.547 1
1 837 . 10 1 1 A 79 79 THR CB C 79 72.712 72.486 0.226 1
1 843 . 10 1 1 A 79 79 THR C C 79 173.868 171.879 1.989 1
1 844 . 10 1 1 A 80 80 TYR N N 80 116.428 119.009 -2.581 1
1 845 . 10 1 1 A 80 80 TYR H H 80 9.085 8.871 0.214 1
1 846 . 10 1 1 A 80 80 TYR CA C 80 56.533 56.424 0.109 1
1 847 . 10 1 1 A 80 80 TYR HA H 80 5.372 5.176 0.196 1
1 848 . 10 1 1 A 80 80 TYR CB C 80 42.831 42.748 0.083 1
1 858 . 10 1 1 A 80 80 TYR C C 80 175.327 174.780 0.547 1
1 860 . 10 1 1 A 81 81 ALA N N 81 126.743 124.823 1.920 1
1 861 . 10 1 1 A 81 81 ALA H H 81 9.302 8.744 0.558 1
1 862 . 10 1 1 A 81 81 ALA CA C 81 51.121 49.821 1.300 1
1 863 . 10 1 1 A 81 81 ALA HA H 81 5.149 5.710 -0.561 1
1 864 . 10 1 1 A 81 81 ALA CB C 81 22.111 22.927 -0.816 1
1 868 . 10 1 1 A 81 81 ALA C C 81 175.505 175.696 -0.191 1
1 869 . 10 1 1 A 82 82 VAL N N 82 124.472 120.148 4.324 1
1 870 . 10 1 1 A 82 82 VAL H H 82 8.940 7.941 0.999 1
1 871 . 10 1 1 A 82 82 VAL CA C 82 60.264 61.002 -0.738 1
1 872 . 10 1 1 A 82 82 VAL HA H 82 5.039 4.783 0.256 1
1 873 . 10 1 1 A 82 82 VAL CB C 82 33.236 34.739 -1.503 1
1 883 . 10 1 1 A 82 82 VAL C C 82 174.517 174.400 0.117 1
1 884 . 10 1 1 A 83 83 THR N N 83 121.500 122.823 -1.323 1
1 885 . 10 1 1 A 83 83 THR H H 83 8.717 8.699 0.018 1
1 886 . 10 1 1 A 83 83 THR CA C 83 61.075 62.453 -1.378 1
1 887 . 10 1 1 A 83 83 THR HA H 83 5.497 5.190 0.307 1
1 888 . 10 1 1 A 83 83 THR CB C 83 72.153 70.485 1.668 1
1 894 . 10 1 1 A 83 83 THR C C 83 173.515 173.605 -0.090 1
1 895 . 10 1 1 A 84 84 TYR N N 84 122.841 122.036 0.805 1
1 896 . 10 1 1 A 84 84 TYR H H 84 9.014 9.216 -0.202 1
1 897 . 10 1 1 A 84 84 TYR CA C 84 55.985 55.626 0.359 1
1 898 . 10 1 1 A 84 84 TYR HA H 84 4.979 5.414 -0.435 1
1 899 . 10 1 1 A 84 84 TYR CB C 84 41.967 41.705 0.262 1
1 909 . 10 1 1 A 84 84 TYR C C 84 171.873 173.316 -1.443 1
1 911 . 10 1 1 A 85 85 ILE N N 85 118.254 123.868 -5.614 1
1 912 . 10 1 1 A 85 85 ILE H H 85 8.805 8.937 -0.132 1
1 913 . 10 1 1 A 85 85 ILE CA C 85 57.883 58.123 -0.240 1
1 914 . 10 1 1 A 85 85 ILE HA H 85 4.550 4.543 0.007 1
1 915 . 10 1 1 A 85 85 ILE CB C 85 40.179 39.094 1.085 1
1 927 . 10 1 1 A 85 85 ILE C C 85 174.339 174.885 -0.546 1
1 929 . 10 1 1 A 86 86 PRO CA C 86 61.414 62.209 -0.795 1
1 930 . 10 1 1 A 86 86 PRO HA H 86 4.436 4.674 -0.238 1
1 931 . 10 1 1 A 86 86 PRO CB C 86 30.107 29.693 0.414 1
1 937 . 10 1 1 A 86 86 PRO C C 86 175.126 176.638 -1.512 1
1 941 . 10 1 1 A 87 87 ASP N N 87 123.447 125.778 -2.331 1
1 942 . 10 1 1 A 87 87 ASP H H 87 8.501 8.472 0.029 1
1 943 . 10 1 1 A 87 87 ASP CA C 87 55.668 57.111 -1.443 1
1 944 . 10 1 1 A 87 87 ASP HA H 87 4.263 4.473 -0.210 1
1 945 . 10 1 1 A 87 87 ASP CB C 87 40.930 40.867 0.063 1
1 947 . 10 1 1 A 87 87 ASP C C 87 175.182 176.357 -1.175 1
1 949 . 10 1 1 A 88 88 LYS N N 88 116.947 118.790 -1.843 1
1 950 . 10 1 1 A 88 88 LYS H H 88 7.683 7.521 0.162 1
1 951 . 10 1 1 A 88 88 LYS CA C 88 54.995 55.266 -0.271 1
1 952 . 10 1 1 A 88 88 LYS HA H 88 4.588 4.740 -0.152 1
1 953 . 10 1 1 A 88 88 LYS CB C 88 34.821 33.898 0.923 1
1 961 . 10 1 1 A 88 88 LYS C C 88 177.529 176.177 1.352 1
1 966 . 10 1 1 A 89 89 THR N N 89 114.134 113.152 0.982 1
1 967 . 10 1 1 A 89 89 THR H H 89 8.588 8.635 -0.047 1
1 968 . 10 1 1 A 89 89 THR CA C 89 62.828 59.942 2.886 1
1 969 . 10 1 1 A 89 89 THR HA H 89 4.083 5.313 -1.230 1
1 970 . 10 1 1 A 89 89 THR CB C 89 69.590 71.531 -1.941 1
1 976 . 10 1 1 A 89 89 THR C C 89 174.269 173.419 0.850 1
1 977 . 10 1 1 A 90 90 GLY N N 90 109.440 108.475 0.965 1
1 978 . 10 1 1 A 90 90 GLY H H 90 8.444 8.347 0.097 1
1 979 . 10 1 1 A 90 90 GLY CA C 90 44.648 45.471 -0.823 1
1 980 . 10 1 1 A 90 90 GLY HA3 H 90 4.467 4.254 0.213 1
1 981 . 10 1 1 A 90 90 GLY C C 90 172.469 172.308 0.161 1
1 982 . 10 1 1 A 90 90 GLY HA2 H 90 3.908 4.212 -0.304 1
1 983 . 10 1 1 A 91 91 ARG N N 91 120.781 121.585 -0.804 1
1 984 . 10 1 1 A 91 91 ARG H H 91 8.271 8.405 -0.134 1
1 985 . 10 1 1 A 91 91 ARG CA C 91 56.178 54.455 1.723 1
1 986 . 10 1 1 A 91 91 ARG HA H 91 4.951 5.191 -0.240 1
1 987 . 10 1 1 A 91 91 ARG CB C 91 31.986 33.408 -1.422 1
1 993 . 10 1 1 A 91 91 ARG C C 91 175.711 174.539 1.172 1
1 997 . 10 1 1 A 92 92 TYR N N 92 122.381 120.529 1.852 1
1 998 . 10 1 1 A 92 92 TYR H H 92 9.312 9.068 0.244 1
1 999 . 10 1 1 A 92 92 TYR CA C 92 56.886 56.658 0.228 1
1 1000 . 10 1 1 A 92 92 TYR HA H 92 4.960 5.135 -0.175 1
1 1001 . 10 1 1 A 92 92 TYR CB C 92 41.223 41.371 -0.148 1
1 1011 . 10 1 1 A 92 92 TYR C C 92 174.902 174.195 0.707 1
1 1013 . 10 1 1 A 93 93 MET N N 93 121.210 124.874 -3.664 1
1 1014 . 10 1 1 A 93 93 MET H H 93 8.819 9.029 -0.210 1
1 1015 . 10 1 1 A 93 93 MET CA C 93 53.745 53.977 -0.232 1
1 1016 . 10 1 1 A 93 93 MET HA H 93 5.346 5.213 0.133 1
1 1017 . 10 1 1 A 93 93 MET CB C 93 34.220 35.587 -1.367 1
1 1025 . 10 1 1 A 93 93 MET C C 93 175.365 175.010 0.355 1
1 1028 . 10 1 1 A 94 94 ILE N N 94 125.747 126.698 -0.951 1
1 1029 . 10 1 1 A 94 94 ILE H H 94 9.372 8.930 0.442 1
1 1030 . 10 1 1 A 94 94 ILE CA C 94 60.685 59.701 0.984 1
1 1031 . 10 1 1 A 94 94 ILE HA H 94 4.606 5.057 -0.451 1
1 1032 . 10 1 1 A 94 94 ILE CB C 94 39.188 40.335 -1.147 1
1 1044 . 10 1 1 A 94 94 ILE C C 94 174.987 174.920 0.067 1
1 1046 . 10 1 1 A 95 95 GLY N N 95 116.553 115.363 1.190 1
1 1047 . 10 1 1 A 95 95 GLY H H 95 9.509 9.033 0.476 1
1 1048 . 10 1 1 A 95 95 GLY CA C 95 44.507 45.255 -0.748 1
1 1049 . 10 1 1 A 95 95 GLY HA3 H 95 3.605 4.172 -0.567 1
1 1050 . 10 1 1 A 95 95 GLY C C 95 173.175 172.713 0.462 1
1 1051 . 10 1 1 A 95 95 GLY HA2 H 95 4.606 4.147 0.459 1
1 1052 . 10 1 1 A 96 96 VAL N N 96 127.036 127.474 -0.438 1
1 1053 . 10 1 1 A 96 96 VAL H H 96 9.299 8.651 0.648 1
1 1054 . 10 1 1 A 96 96 VAL CA C 96 61.308 63.237 -1.929 1
1 1055 . 10 1 1 A 96 96 VAL HA H 96 4.889 4.315 0.574 1
1 1056 . 10 1 1 A 96 96 VAL CB C 96 34.145 31.294 2.851 1
1 1066 . 10 1 1 A 96 96 VAL C C 96 174.354 175.539 -1.185 1
1 1067 . 10 1 1 A 97 97 THR N N 97 115.219 118.827 -3.608 1
1 1068 . 10 1 1 A 97 97 THR H H 97 9.018 8.332 0.686 1
1 1069 . 10 1 1 A 97 97 THR CA C 97 57.826 59.741 -1.915 1
1 1070 . 10 1 1 A 97 97 THR HA H 97 5.265 5.403 -0.138 1
1 1071 . 10 1 1 A 97 97 THR CB C 97 72.753 71.082 1.671 1
1 1077 . 10 1 1 A 97 97 THR C C 97 173.175 173.290 -0.115 1
1 1078 . 10 1 1 A 98 98 TYR N N 98 122.768 124.465 -1.697 1
1 1079 . 10 1 1 A 98 98 TYR H H 98 9.149 9.303 -0.154 1
1 1080 . 10 1 1 A 98 98 TYR CA C 98 57.488 57.280 0.208 1
1 1081 . 10 1 1 A 98 98 TYR HA H 98 5.077 4.950 0.127 1
1 1082 . 10 1 1 A 98 98 TYR CB C 98 43.122 41.552 1.570 1
1 1092 . 10 1 1 A 98 98 TYR C C 98 175.949 175.438 0.511 1
1 1094 . 10 1 1 A 99 99 GLY N N 99 113.994 115.258 -1.264 1
1 1095 . 10 1 1 A 99 99 GLY H H 99 8.402 8.645 -0.243 1
1 1096 . 10 1 1 A 99 99 GLY CA C 99 45.010 46.350 -1.340 1
1 1097 . 10 1 1 A 99 99 GLY HA3 H 99 2.623 3.287 -0.664 1
1 1098 . 10 1 1 A 99 99 GLY C C 99 174.197 174.957 -0.760 1
1 1099 . 10 1 1 A 99 99 GLY HA2 H 99 3.220 2.714 0.506 1
1 1100 . 10 1 1 A 100 100 GLY N N 100 103.115 105.886 -2.771 1
1 1101 . 10 1 1 A 100 100 GLY H H 100 8.288 8.586 -0.298 1
1 1102 . 10 1 1 A 100 100 GLY CA C 100 44.170 46.528 -2.358 1
1 1103 . 10 1 1 A 100 100 GLY HA3 H 100 4.265 3.877 0.388 1
1 1104 . 10 1 1 A 100 100 GLY C C 100 173.054 173.417 -0.363 1
1 1105 . 10 1 1 A 100 100 GLY HA2 H 100 3.284 3.877 -0.593 1
1 1106 . 10 1 1 A 101 101 ASP N N 101 120.566 119.574 0.992 1
1 1107 . 10 1 1 A 101 101 ASP H H 101 7.245 7.960 -0.715 1
1 1108 . 10 1 1 A 101 101 ASP CA C 101 52.908 53.211 -0.303 1
1 1109 . 10 1 1 A 101 101 ASP HA H 101 5.012 5.139 -0.127 1
1 1110 . 10 1 1 A 101 101 ASP CB C 101 42.831 44.227 -1.396 1
1 1112 . 10 1 1 A 101 101 ASP C C 101 175.182 174.923 0.259 1
1 1114 . 10 1 1 A 102 102 ASP N N 102 122.668 124.535 -1.867 1
1 1115 . 10 1 1 A 102 102 ASP H H 102 8.597 8.796 -0.199 1
1 1116 . 10 1 1 A 102 102 ASP CA C 102 56.233 54.383 1.850 1
1 1117 . 10 1 1 A 102 102 ASP HA H 102 4.667 4.931 -0.264 1
1 1118 . 10 1 1 A 102 102 ASP CB C 102 42.373 41.649 0.724 1
1 1120 . 10 1 1 A 102 102 ASP C C 102 176.970 176.644 0.326 1
1 1122 . 10 1 1 A 103 103 ILE N N 103 117.672 120.495 -2.823 1
1 1123 . 10 1 1 A 103 103 ILE H H 103 7.887 8.160 -0.273 1
1 1124 . 10 1 1 A 103 103 ILE CA C 103 61.025 59.821 1.204 1
1 1125 . 10 1 1 A 103 103 ILE HA H 103 4.526 4.565 -0.039 1
1 1126 . 10 1 1 A 103 103 ILE CB C 103 35.534 37.602 -2.068 1
1 1138 . 10 1 1 A 103 103 ILE C C 103 173.902 176.565 -2.663 1
1 1140 . 10 1 1 A 104 104 PRO CA C 104 66.456 64.203 2.253 1
1 1141 . 10 1 1 A 104 104 PRO HA H 104 4.177 4.529 -0.352 1
1 1142 . 10 1 1 A 104 104 PRO CB C 104 31.709 31.566 0.143 1
1 1151 . 10 1 1 A 105 105 LEU N N 105 115.386 117.695 -2.309 1
1 1152 . 10 1 1 A 105 105 LEU H H 105 8.464 7.956 0.508 1
1 1153 . 10 1 1 A 105 105 LEU CA C 105 55.294 55.554 -0.260 1
1 1154 . 10 1 1 A 105 105 LEU HA H 105 3.845 4.336 -0.491 1
1 1155 . 10 1 1 A 105 105 LEU CB C 105 39.148 42.765 -3.617 1
1 1168 . 10 1 1 A 106 106 SER N N 106 111.669 114.696 -3.027 1
1 1169 . 10 1 1 A 106 106 SER H H 106 7.338 7.564 -0.226 1
1 1170 . 10 1 1 A 106 106 SER CA C 106 54.750 57.078 -2.328 1
1 1171 . 10 1 1 A 106 106 SER HA H 106 4.347 4.719 -0.372 1
1 1172 . 10 1 1 A 106 106 SER CB C 106 64.133 63.017 1.116 1
1 1175 . 10 1 1 A 107 107 PRO CA C 107 62.344 62.462 -0.118 1
1 1176 . 10 1 1 A 107 107 PRO HA H 107 5.323 4.957 0.366 1
1 1177 . 10 1 1 A 107 107 PRO CB C 107 33.977 32.897 1.080 1
1 1183 . 10 1 1 A 107 107 PRO C C 107 176.003 174.841 1.162 1
1 1187 . 10 1 1 A 108 108 TYR N N 108 122.832 119.068 3.764 1
1 1188 . 10 1 1 A 108 108 TYR H H 108 9.294 8.687 0.607 1
1 1189 . 10 1 1 A 108 108 TYR CA C 108 57.629 56.782 0.847 1
1 1190 . 10 1 1 A 108 108 TYR HA H 108 4.428 4.925 -0.497 1
1 1191 . 10 1 1 A 108 108 TYR CB C 108 40.091 41.582 -1.491 1
1 1201 . 10 1 1 A 108 108 TYR C C 108 175.851 175.067 0.784 1
1 1203 . 10 1 1 A 109 109 ARG N N 109 122.941 122.532 0.409 1
1 1204 . 10 1 1 A 109 109 ARG H H 109 8.746 8.840 -0.094 1
1 1205 . 10 1 1 A 109 109 ARG CA C 109 55.259 55.947 -0.688 1
1 1206 . 10 1 1 A 109 109 ARG HA H 109 5.189 4.832 0.357 1
1 1207 . 10 1 1 A 109 109 ARG CB C 109 30.879 31.649 -0.770 1
1 1213 . 10 1 1 A 109 109 ARG C C 109 175.522 175.560 -0.038 1
1 1217 . 10 1 1 A 110 110 ILE N N 110 125.109 123.820 1.289 1
1 1218 . 10 1 1 A 110 110 ILE H H 110 8.742 8.414 0.328 1
1 1219 . 10 1 1 A 110 110 ILE CA C 110 57.577 59.447 -1.870 1
1 1220 . 10 1 1 A 110 110 ILE HA H 110 4.758 4.885 -0.127 1
1 1221 . 10 1 1 A 110 110 ILE CB C 110 41.138 42.262 -1.124 1
1 1233 . 10 1 1 A 110 110 ILE C C 110 175.121 174.888 0.233 1
1 1235 . 10 1 1 A 111 111 ARG N N 111 125.357 124.803 0.554 1
1 1236 . 10 1 1 A 111 111 ARG H H 111 8.776 8.824 -0.048 1
1 1237 . 10 1 1 A 111 111 ARG CA C 111 54.730 54.073 0.657 1
1 1238 . 10 1 1 A 111 111 ARG HA H 111 5.053 5.379 -0.326 1
1 1239 . 10 1 1 A 111 111 ARG CB C 111 32.685 33.421 -0.736 1
1 1245 . 10 1 1 A 111 111 ARG C C 111 174.163 175.167 -1.004 1
1 1249 . 10 1 1 A 112 112 ALA N N 112 127.119 127.935 -0.816 1
1 1250 . 10 1 1 A 112 112 ALA H H 112 9.208 8.363 0.845 1
1 1251 . 10 1 1 A 112 112 ALA CA C 112 49.945 51.668 -1.723 1
1 1252 . 10 1 1 A 112 112 ALA HA H 112 5.851 5.027 0.824 1
1 1253 . 10 1 1 A 112 112 ALA CB C 112 21.329 19.458 1.871 1
1 1257 . 10 1 1 A 112 112 ALA C C 112 178.853 176.617 2.236 1
1 1258 . 10 1 1 A 113 113 THR N N 113 116.033 116.109 -0.076 1
1 1259 . 10 1 1 A 113 113 THR H H 113 8.995 8.596 0.399 1
1 1260 . 10 1 1 A 113 113 THR CA C 113 60.312 61.120 -0.808 1
1 1261 . 10 1 1 A 113 113 THR HA H 113 4.695 4.732 -0.037 1
1 1262 . 10 1 1 A 113 113 THR CB C 113 71.251 69.135 2.116 1
1 1268 . 10 1 1 A 113 113 THR C C 113 173.710 173.369 0.341 1
1 1269 . 10 1 1 A 114 114 GLN N N 114 122.122 127.786 -5.664 1
1 1270 . 10 1 1 A 114 114 GLN H H 114 8.753 8.729 0.024 1
1 1271 . 10 1 1 A 114 114 GLN CA C 114 55.817 55.913 -0.096 1
1 1272 . 10 1 1 A 114 114 GLN HA H 114 4.570 4.564 0.006 1
1 1273 . 10 1 1 A 114 114 GLN CB C 114 30.106 29.167 0.939 1
1 1280 . 10 1 1 A 114 114 GLN C C 114 176.106 175.271 0.835 1
1 1283 . 10 1 1 A 115 115 THR N N 115 117.345 121.458 -4.113 1
1 1284 . 10 1 1 A 115 115 THR H H 115 8.493 9.089 -0.596 1
1 1285 . 10 1 1 A 115 115 THR CA C 115 62.328 64.972 -2.644 1
1 1286 . 10 1 1 A 115 115 THR HA H 115 4.351 4.280 0.071 1
1 1287 . 10 1 1 A 115 115 THR CB C 115 69.874 69.626 0.248 1
1 1293 . 10 1 1 A 115 115 THR C C 115 175.158 174.680 0.478 1
1 1294 . 10 1 1 A 116 116 GLY N N 116 111.927 105.920 6.007 1
1 1295 . 10 1 1 A 116 116 GLY H H 116 8.559 7.354 1.205 1
1 1296 . 10 1 1 A 116 116 GLY CA C 116 45.315 45.849 -0.534 1
1 1297 . 10 1 1 A 116 116 GLY HA3 H 116 3.934 4.110 -0.176 1
1 1298 . 10 1 1 A 116 116 GLY C C 116 173.820 172.307 1.513 1
1 1299 . 10 1 1 A 116 116 GLY HA2 H 116 4.030 4.107 -0.077 1
1 1300 . 10 1 1 A 117 117 ASP N N 117 120.643 123.682 -3.039 1
1 1301 . 10 1 1 A 117 117 ASP H H 117 8.208 8.404 -0.196 1
1 1302 . 10 1 1 A 117 117 ASP CA C 117 54.393 54.508 -0.115 1
1 1303 . 10 1 1 A 117 117 ASP HA H 117 4.615 4.661 -0.046 1
1 1304 . 10 1 1 A 117 117 ASP CB C 117 41.388 41.978 -0.590 1
1 1306 . 10 1 1 A 117 117 ASP C C 117 175.973 175.751 0.222 1
1 1308 . 10 1 1 A 118 118 ALA N N 118 124.934 126.274 -1.340 1
1 1309 . 10 1 1 A 118 118 ALA H H 118 8.312 8.399 -0.087 1
1 1310 . 10 1 1 A 118 118 ALA CA C 118 52.447 50.609 1.838 1
1 1311 . 10 1 1 A 118 118 ALA HA H 118 4.415 4.982 -0.567 1
1 1312 . 10 1 1 A 118 118 ALA CB C 118 19.339 19.633 -0.294 1
1 1316 . 10 1 1 A 118 118 ALA C C 118 176.848 176.406 0.442 1
1 1 . 11 1 1 A 9 9 SER HA H 9 4.733 5.202 -0.469 1
1 2 . 11 1 1 A 10 10 PRO CA C 10 63.335 62.698 0.637 1
1 3 . 11 1 1 A 10 10 PRO HA H 10 4.399 5.069 -0.670 1
1 4 . 11 1 1 A 10 10 PRO CB C 10 31.938 33.482 -1.544 1
1 10 . 11 1 1 A 10 10 PRO C C 10 176.442 176.427 0.015 1
1 14 . 11 1 1 A 11 11 PHE N N 11 119.801 117.397 2.404 1
1 15 . 11 1 1 A 11 11 PHE H H 11 8.036 8.656 -0.620 1
1 16 . 11 1 1 A 11 11 PHE CA C 11 57.505 56.234 1.271 1
1 17 . 11 1 1 A 11 11 PHE HA H 11 4.606 5.036 -0.430 1
1 18 . 11 1 1 A 11 11 PHE CB C 11 39.592 41.393 -1.801 1
1 30 . 11 1 1 A 11 11 PHE C C 11 175.401 172.213 3.188 1
1 32 . 11 1 1 A 12 12 LYS N N 12 123.563 120.841 2.722 1
1 33 . 11 1 1 A 12 12 LYS H H 12 8.112 8.867 -0.755 1
1 34 . 11 1 1 A 12 12 LYS CA C 12 56.175 54.909 1.266 1
1 35 . 11 1 1 A 12 12 LYS HA H 12 4.322 4.859 -0.537 1
1 36 . 11 1 1 A 12 12 LYS CB C 12 33.352 34.065 -0.713 1
1 44 . 11 1 1 A 12 12 LYS C C 12 175.802 174.924 0.878 1
1 49 . 11 1 1 A 13 13 VAL N N 13 122.071 123.237 -1.166 1
1 50 . 11 1 1 A 13 13 VAL H H 13 8.080 9.006 -0.926 1
1 51 . 11 1 1 A 13 13 VAL CA C 13 62.280 60.461 1.819 1
1 52 . 11 1 1 A 13 13 VAL HA H 13 4.036 5.017 -0.981 1
1 53 . 11 1 1 A 13 13 VAL CB C 13 32.895 34.313 -1.418 1
1 63 . 11 1 1 A 13 13 VAL C C 13 175.814 174.598 1.216 1
1 64 . 11 1 1 A 14 14 LYS N N 14 125.874 126.648 -0.774 1
1 65 . 11 1 1 A 14 14 LYS H H 14 8.392 8.827 -0.435 1
1 66 . 11 1 1 A 14 14 LYS CA C 14 56.250 55.345 0.905 1
1 67 . 11 1 1 A 14 14 LYS HA H 14 4.322 4.565 -0.243 1
1 68 . 11 1 1 A 14 14 LYS CB C 14 33.193 31.293 1.900 1
1 73 . 11 1 1 A 14 14 LYS C C 14 175.973 175.140 0.833 1
1 75 . 11 1 1 A 15 15 VAL N N 15 123.129 118.260 4.869 1
1 76 . 11 1 1 A 15 15 VAL H H 15 8.204 8.468 -0.264 1
1 77 . 11 1 1 A 15 15 VAL CA C 15 62.033 59.275 2.758 1
1 78 . 11 1 1 A 15 15 VAL HA H 15 4.100 5.082 -0.982 1
1 79 . 11 1 1 A 15 15 VAL CB C 15 32.858 35.924 -3.066 1
1 89 . 11 1 1 A 15 15 VAL C C 15 175.717 174.542 1.175 1
1 90 . 11 1 1 A 16 16 LEU N N 16 127.971 116.893 11.078 1
1 91 . 11 1 1 A 16 16 LEU H H 16 8.378 8.482 -0.104 1
1 92 . 11 1 1 A 16 16 LEU CA C 16 52.885 51.028 1.857 1
1 93 . 11 1 1 A 16 16 LEU HA H 16 4.624 4.860 -0.236 1
1 94 . 11 1 1 A 16 16 LEU CB C 16 41.706 43.277 -1.571 1
1 106 . 11 1 1 A 16 16 LEU C C 16 175.092 175.014 0.078 1
1 108 . 11 1 1 A 17 17 PRO CA C 17 62.704 62.496 0.208 1
1 109 . 11 1 1 A 17 17 PRO HA H 17 4.556 4.732 -0.176 1
1 110 . 11 1 1 A 17 17 PRO CB C 17 32.293 33.470 -1.177 1
1 116 . 11 1 1 A 17 17 PRO C C 17 177.319 176.774 0.545 1
1 120 . 11 1 1 A 18 18 THR N N 18 112.726 113.248 -0.522 1
1 121 . 11 1 1 A 18 18 THR H H 18 8.497 8.687 -0.190 1
1 122 . 11 1 1 A 18 18 THR CA C 18 62.335 62.753 -0.418 1
1 123 . 11 1 1 A 18 18 THR HA H 18 4.352 4.394 -0.042 1
1 124 . 11 1 1 A 18 18 THR CB C 18 69.700 69.358 0.342 1
1 130 . 11 1 1 A 18 18 THR C C 18 173.418 174.573 -1.155 1
1 131 . 11 1 1 A 19 19 TYR N N 19 118.883 119.980 -1.097 1
1 132 . 11 1 1 A 19 19 TYR H H 19 7.244 7.766 -0.522 1
1 133 . 11 1 1 A 19 19 TYR CA C 19 55.270 57.982 -2.712 1
1 134 . 11 1 1 A 19 19 TYR HA H 19 5.404 4.545 0.859 1
1 135 . 11 1 1 A 19 19 TYR CB C 19 40.974 39.770 1.204 1
1 145 . 11 1 1 A 19 19 TYR C C 19 174.318 174.932 -0.614 1
1 147 . 11 1 1 A 20 20 ASP N N 20 118.193 120.613 -2.420 1
1 148 . 11 1 1 A 20 20 ASP H H 20 8.686 8.862 -0.176 1
1 149 . 11 1 1 A 20 20 ASP CA C 20 53.226 53.193 0.033 1
1 150 . 11 1 1 A 20 20 ASP HA H 20 4.539 5.060 -0.521 1
1 151 . 11 1 1 A 20 20 ASP CB C 20 41.490 43.727 -2.237 1
1 153 . 11 1 1 A 20 20 ASP C C 20 176.349 176.004 0.345 1
1 155 . 11 1 1 A 21 21 ALA N N 21 127.255 128.289 -1.034 1
1 156 . 11 1 1 A 21 21 ALA H H 21 9.404 9.187 0.217 1
1 157 . 11 1 1 A 21 21 ALA CA C 21 55.157 55.845 -0.688 1
1 158 . 11 1 1 A 21 21 ALA HA H 21 4.204 4.082 0.122 1
1 159 . 11 1 1 A 21 21 ALA CB C 21 19.890 18.286 1.604 1
1 163 . 11 1 1 A 21 21 ALA C C 21 178.113 179.629 -1.516 1
1 164 . 11 1 1 A 22 22 SER N N 22 110.959 113.973 -3.014 1
1 165 . 11 1 1 A 22 22 SER H H 22 8.397 8.021 0.376 1
1 166 . 11 1 1 A 22 22 SER CA C 22 60.794 61.489 -0.695 1
1 167 . 11 1 1 A 22 22 SER HA H 22 4.363 4.196 0.167 1
1 168 . 11 1 1 A 22 22 SER CB C 22 62.850 63.101 -0.251 1
1 170 . 11 1 1 A 22 22 SER C C 22 175.425 175.637 -0.212 1
1 172 . 11 1 1 A 23 23 LYS N N 23 119.671 116.614 3.057 1
1 173 . 11 1 1 A 23 23 LYS H H 23 7.366 7.472 -0.106 1
1 174 . 11 1 1 A 23 23 LYS CA C 23 54.818 55.953 -1.135 1
1 175 . 11 1 1 A 23 23 LYS HA H 23 4.368 4.387 -0.019 1
1 176 . 11 1 1 A 23 23 LYS CB C 23 33.063 32.486 0.577 1
1 184 . 11 1 1 A 23 23 LYS C C 23 176.544 174.747 1.797 1
1 189 . 11 1 1 A 24 24 VAL N N 24 123.377 119.680 3.697 1
1 190 . 11 1 1 A 24 24 VAL H H 24 7.392 7.407 -0.015 1
1 191 . 11 1 1 A 24 24 VAL CA C 24 62.722 61.166 1.556 1
1 192 . 11 1 1 A 24 24 VAL HA H 24 4.184 4.646 -0.462 1
1 193 . 11 1 1 A 24 24 VAL CB C 24 31.780 34.126 -2.346 1
1 203 . 11 1 1 A 24 24 VAL C C 24 175.644 175.422 0.222 1
1 204 . 11 1 1 A 25 25 THR N N 25 117.441 118.196 -0.755 1
1 205 . 11 1 1 A 25 25 THR H H 25 8.384 8.888 -0.504 1
1 206 . 11 1 1 A 25 25 THR CA C 25 59.858 59.509 0.349 1
1 207 . 11 1 1 A 25 25 THR HA H 25 4.784 5.258 -0.474 1
1 208 . 11 1 1 A 25 25 THR CB C 25 71.687 72.594 -0.907 1
1 214 . 11 1 1 A 25 25 THR C C 25 172.360 173.166 -0.806 1
1 215 . 11 1 1 A 26 26 ALA N N 26 123.956 124.041 -0.085 1
1 216 . 11 1 1 A 26 26 ALA H H 26 8.440 8.751 -0.311 1
1 217 . 11 1 1 A 26 26 ALA CA C 26 51.022 50.597 0.425 1
1 218 . 11 1 1 A 26 26 ALA HA H 26 5.575 5.368 0.207 1
1 219 . 11 1 1 A 26 26 ALA CB C 26 22.576 23.747 -1.171 1
1 223 . 11 1 1 A 26 26 ALA C C 26 176.301 175.511 0.790 1
1 224 . 11 1 1 A 27 27 SER N N 27 114.430 114.571 -0.141 1
1 225 . 11 1 1 A 27 27 SER H H 27 9.021 8.454 0.567 1
1 226 . 11 1 1 A 27 27 SER CA C 27 57.771 57.593 0.178 1
1 227 . 11 1 1 A 27 27 SER HA H 27 4.745 5.419 -0.674 1
1 228 . 11 1 1 A 27 27 SER CB C 27 65.911 67.015 -1.104 1
1 230 . 11 1 1 A 27 27 SER C C 27 172.798 173.252 -0.454 1
1 232 . 11 1 1 A 28 28 GLY N N 28 108.618 110.272 -1.654 1
1 233 . 11 1 1 A 28 28 GLY H H 28 8.516 8.419 0.097 1
1 234 . 11 1 1 A 28 28 GLY CA C 28 44.966 44.769 0.197 1
1 235 . 11 1 1 A 28 28 GLY HA3 H 28 4.102 4.341 -0.239 1
1 236 . 11 1 1 A 28 28 GLY C C 28 173.392 174.318 -0.926 1
1 237 . 11 1 1 A 28 28 GLY HA2 H 28 5.026 4.297 0.729 1
1 238 . 11 1 1 A 29 29 PRO CA C 29 65.446 65.013 0.433 1
1 239 . 11 1 1 A 29 29 PRO HA H 29 4.399 4.442 -0.043 1
1 240 . 11 1 1 A 29 29 PRO CB C 29 31.739 32.048 -0.309 1
1 246 . 11 1 1 A 29 29 PRO C C 29 179.804 178.535 1.269 1
1 250 . 11 1 1 A 30 30 GLY N N 30 103.199 106.155 -2.956 1
1 251 . 11 1 1 A 30 30 GLY H H 30 9.156 8.524 0.632 1
1 252 . 11 1 1 A 30 30 GLY CA C 30 46.458 47.143 -0.685 1
1 253 . 11 1 1 A 30 30 GLY HA3 H 30 3.331 4.378 -1.047 1
1 254 . 11 1 1 A 30 30 GLY C C 30 171.694 174.762 -3.068 1
1 255 . 11 1 1 A 30 30 GLY HA2 H 30 4.062 4.248 -0.186 1
1 256 . 11 1 1 A 31 31 LEU N N 31 116.112 119.684 -3.572 1
1 257 . 11 1 1 A 31 31 LEU H H 31 7.351 7.792 -0.441 1
1 258 . 11 1 1 A 31 31 LEU CA C 31 52.607 54.242 -1.635 1
1 259 . 11 1 1 A 31 31 LEU HA H 31 4.269 4.643 -0.374 1
1 260 . 11 1 1 A 31 31 LEU CB C 31 41.265 42.050 -0.785 1
1 272 . 11 1 1 A 31 31 LEU C C 31 176.751 176.316 0.435 1
1 274 . 11 1 1 A 32 32 SER N N 32 114.056 117.952 -3.896 1
1 275 . 11 1 1 A 32 32 SER H H 32 6.986 7.818 -0.832 1
1 276 . 11 1 1 A 32 32 SER CA C 32 58.750 58.263 0.487 1
1 277 . 11 1 1 A 32 32 SER HA H 32 4.268 4.438 -0.170 1
1 278 . 11 1 1 A 32 32 SER CB C 32 64.571 64.186 0.385 1
1 280 . 11 1 1 A 32 32 SER C C 32 176.483 175.649 0.834 1
1 282 . 11 1 1 A 33 33 SER N N 33 123.249 123.704 -0.455 1
1 283 . 11 1 1 A 33 33 SER H H 33 8.887 9.074 -0.187 1
1 284 . 11 1 1 A 33 33 SER CA C 33 60.176 61.516 -1.340 1
1 285 . 11 1 1 A 33 33 SER HA H 33 4.409 4.166 0.243 1
1 286 . 11 1 1 A 33 33 SER CB C 33 63.098 62.454 0.644 1
1 288 . 11 1 1 A 33 33 SER C C 33 174.922 176.637 -1.715 1
1 290 . 11 1 1 A 34 34 TYR N N 34 120.641 122.621 -1.980 1
1 291 . 11 1 1 A 34 34 TYR H H 34 8.225 8.142 0.083 1
1 292 . 11 1 1 A 34 34 TYR CA C 34 58.266 61.246 -2.980 1
1 293 . 11 1 1 A 34 34 TYR HA H 34 4.622 4.309 0.313 1
1 294 . 11 1 1 A 34 34 TYR CB C 34 38.478 39.230 -0.752 1
1 304 . 11 1 1 A 34 34 TYR C C 34 175.881 176.142 -0.261 1
1 306 . 11 1 1 A 35 35 GLY N N 35 109.142 106.502 2.640 1
1 307 . 11 1 1 A 35 35 GLY H H 35 7.416 7.201 0.215 1
1 308 . 11 1 1 A 35 35 GLY CA C 35 44.524 44.453 0.071 1
1 309 . 11 1 1 A 35 35 GLY HA3 H 35 4.411 4.069 0.342 1
1 310 . 11 1 1 A 35 35 GLY C C 35 172.956 172.366 0.590 1
1 311 . 11 1 1 A 35 35 GLY HA2 H 35 4.324 3.913 0.411 1
1 312 . 11 1 1 A 36 36 VAL N N 36 116.841 116.023 0.818 1
1 313 . 11 1 1 A 36 36 VAL H H 36 8.617 8.453 0.164 1
1 314 . 11 1 1 A 36 36 VAL CA C 36 57.700 58.128 -0.428 1
1 315 . 11 1 1 A 36 36 VAL HA H 36 4.880 5.057 -0.177 1
1 316 . 11 1 1 A 36 36 VAL CB C 36 33.474 33.947 -0.473 1
1 326 . 11 1 1 A 36 36 VAL C C 36 173.489 173.567 -0.078 1
1 327 . 11 1 1 A 37 37 PRO CA C 37 62.200 62.390 -0.190 1
1 328 . 11 1 1 A 37 37 PRO HA H 37 4.646 4.693 -0.047 1
1 329 . 11 1 1 A 37 37 PRO CB C 37 31.876 32.075 -0.199 1
1 335 . 11 1 1 A 37 37 PRO C C 37 177.148 176.985 0.163 1
1 339 . 11 1 1 A 38 38 ALA N N 38 124.330 124.951 -0.621 1
1 340 . 11 1 1 A 38 38 ALA H H 38 8.591 7.872 0.719 1
1 341 . 11 1 1 A 38 38 ALA CA C 38 52.606 52.526 0.080 1
1 342 . 11 1 1 A 38 38 ALA HA H 38 4.189 4.295 -0.106 1
1 343 . 11 1 1 A 38 38 ALA CB C 38 18.928 19.831 -0.903 1
1 347 . 11 1 1 A 38 38 ALA C C 38 178.418 178.296 0.122 1
1 348 . 11 1 1 A 39 39 SER N N 39 109.435 115.741 -6.306 1
1 349 . 11 1 1 A 39 39 SER H H 39 8.687 8.879 -0.192 1
1 350 . 11 1 1 A 39 39 SER CA C 39 61.147 59.091 2.056 1
1 351 . 11 1 1 A 39 39 SER HA H 39 3.770 4.070 -0.300 1
1 352 . 11 1 1 A 39 39 SER CB C 39 62.322 61.751 0.571 1
1 354 . 11 1 1 A 39 39 SER C C 39 172.372 173.529 -1.157 1
1 356 . 11 1 1 A 40 40 LEU N N 40 121.668 121.218 0.450 1
1 357 . 11 1 1 A 40 40 LEU H H 40 6.981 7.738 -0.757 1
1 358 . 11 1 1 A 40 40 LEU CA C 40 51.707 51.291 0.416 1
1 359 . 11 1 1 A 40 40 LEU HA H 40 4.890 4.722 0.168 1
1 360 . 11 1 1 A 40 40 LEU CB C 40 43.441 45.144 -1.703 1
1 372 . 11 1 1 A 40 40 LEU C C 40 173.635 174.133 -0.498 1
1 374 . 11 1 1 A 41 41 PRO CA C 41 62.683 62.310 0.373 1
1 375 . 11 1 1 A 41 41 PRO HA H 41 4.490 4.609 -0.119 1
1 376 . 11 1 1 A 41 41 PRO CB C 41 31.415 30.944 0.471 1
1 382 . 11 1 1 A 41 41 PRO C C 41 175.540 175.160 0.380 1
1 386 . 11 1 1 A 42 42 VAL N N 42 124.505 122.579 1.926 1
1 387 . 11 1 1 A 42 42 VAL H H 42 8.917 7.770 1.147 1
1 388 . 11 1 1 A 42 42 VAL CA C 42 60.282 59.450 0.832 1
1 389 . 11 1 1 A 42 42 VAL HA H 42 4.408 4.580 -0.172 1
1 390 . 11 1 1 A 42 42 VAL CB C 42 34.522 34.201 0.321 1
1 400 . 11 1 1 A 42 42 VAL C C 42 171.180 174.075 -2.895 1
1 401 . 11 1 1 A 43 43 ASP N N 43 121.538 126.944 -5.406 1
1 402 . 11 1 1 A 43 43 ASP H H 43 7.549 9.051 -1.502 1
1 403 . 11 1 1 A 43 43 ASP CA C 43 51.968 52.270 -0.302 1
1 404 . 11 1 1 A 43 43 ASP HA H 43 6.324 5.803 0.521 1
1 405 . 11 1 1 A 43 43 ASP CB C 43 44.949 44.503 0.446 1
1 407 . 11 1 1 A 43 43 ASP C C 43 177.711 174.936 2.775 1
1 409 . 11 1 1 A 44 44 PHE N N 44 112.517 117.238 -4.721 1
1 410 . 11 1 1 A 44 44 PHE H H 44 9.044 7.794 1.250 1
1 411 . 11 1 1 A 44 44 PHE CA C 44 57.658 54.927 2.731 1
1 412 . 11 1 1 A 44 44 PHE HA H 44 5.069 5.460 -0.391 1
1 413 . 11 1 1 A 44 44 PHE CB C 44 41.220 41.979 -0.759 1
1 425 . 11 1 1 A 44 44 PHE C C 44 171.679 173.237 -1.558 1
1 427 . 11 1 1 A 45 45 ALA N N 45 123.935 120.973 2.962 1
1 428 . 11 1 1 A 45 45 ALA H H 45 9.468 8.801 0.667 1
1 429 . 11 1 1 A 45 45 ALA CA C 45 50.855 50.903 -0.048 1
1 430 . 11 1 1 A 45 45 ALA HA H 45 5.379 5.587 -0.208 1
1 431 . 11 1 1 A 45 45 ALA CB C 45 22.496 22.269 0.227 1
1 435 . 11 1 1 A 45 45 ALA C C 45 176.715 175.886 0.829 1
1 436 . 11 1 1 A 46 46 ILE N N 46 119.530 123.958 -4.428 1
1 437 . 11 1 1 A 46 46 ILE H H 46 8.686 9.556 -0.870 1
1 438 . 11 1 1 A 46 46 ILE CA C 46 59.561 60.743 -1.182 1
1 439 . 11 1 1 A 46 46 ILE HA H 46 4.863 4.729 0.134 1
1 440 . 11 1 1 A 46 46 ILE CB C 46 41.370 37.962 3.408 1
1 452 . 11 1 1 A 46 46 ILE C C 46 174.379 174.666 -0.287 1
1 454 . 11 1 1 A 47 47 ASP N N 47 127.143 127.810 -0.667 1
1 455 . 11 1 1 A 47 47 ASP H H 47 9.281 8.679 0.602 1
1 456 . 11 1 1 A 47 47 ASP CA C 47 53.297 53.933 -0.636 1
1 457 . 11 1 1 A 47 47 ASP HA H 47 4.976 5.033 -0.057 1
1 458 . 11 1 1 A 47 47 ASP CB C 47 41.371 41.758 -0.387 1
1 460 . 11 1 1 A 47 47 ASP C C 47 174.962 175.270 -0.308 1
1 462 . 11 1 1 A 48 48 ALA N N 48 129.371 129.088 0.283 1
1 463 . 11 1 1 A 48 48 ALA H H 48 9.078 7.980 1.098 1
1 464 . 11 1 1 A 48 48 ALA CA C 48 50.554 50.673 -0.119 1
1 465 . 11 1 1 A 48 48 ALA HA H 48 4.641 5.021 -0.380 1
1 466 . 11 1 1 A 48 48 ALA CB C 48 19.699 20.860 -1.161 1
1 470 . 11 1 1 A 48 48 ALA C C 48 179.317 176.672 2.645 1
1 471 . 11 1 1 A 49 49 ARG N N 49 122.060 124.536 -2.476 1
1 472 . 11 1 1 A 49 49 ARG H H 49 8.590 8.814 -0.224 1
1 473 . 11 1 1 A 49 49 ARG CA C 49 60.964 57.628 3.336 1
1 474 . 11 1 1 A 49 49 ARG HA H 49 3.987 4.495 -0.508 1
1 475 . 11 1 1 A 49 49 ARG CB C 49 30.654 31.280 -0.626 1
1 483 . 11 1 1 A 49 49 ARG C C 49 178.077 176.959 1.118 1
1 487 . 11 1 1 A 50 50 ASP N N 50 116.664 116.287 0.377 1
1 488 . 11 1 1 A 50 50 ASP H H 50 8.794 8.031 0.763 1
1 489 . 11 1 1 A 50 50 ASP CA C 50 53.827 53.634 0.193 1
1 490 . 11 1 1 A 50 50 ASP HA H 50 5.040 4.945 0.095 1
1 491 . 11 1 1 A 50 50 ASP CB C 50 41.595 41.674 -0.079 1
1 493 . 11 1 1 A 50 50 ASP C C 50 175.754 176.533 -0.779 1
1 495 . 11 1 1 A 51 51 ALA N N 51 121.173 122.042 -0.869 1
1 496 . 11 1 1 A 51 51 ALA H H 51 7.406 7.940 -0.534 1
1 497 . 11 1 1 A 51 51 ALA CA C 51 52.147 51.724 0.423 1
1 498 . 11 1 1 A 51 51 ALA HA H 51 4.414 4.313 0.101 1
1 499 . 11 1 1 A 51 51 ALA CB C 51 23.427 18.891 4.536 1
1 503 . 11 1 1 A 51 51 ALA C C 51 176.763 177.881 -1.118 1
1 504 . 11 1 1 A 52 52 GLY N N 52 108.187 107.234 0.953 1
1 505 . 11 1 1 A 52 52 GLY H H 52 8.521 8.150 0.371 1
1 506 . 11 1 1 A 52 52 GLY CA C 52 45.210 46.051 -0.841 1
1 507 . 11 1 1 A 52 52 GLY HA3 H 52 3.859 4.028 -0.169 1
1 508 . 11 1 1 A 52 52 GLY C C 52 175.060 173.551 1.509 1
1 509 . 11 1 1 A 52 52 GLY HA2 H 52 4.492 3.977 0.515 1
1 510 . 11 1 1 A 53 53 GLU N N 53 124.810 122.722 2.088 1
1 511 . 11 1 1 A 53 53 GLU H H 53 8.643 8.745 -0.102 1
1 512 . 11 1 1 A 53 53 GLU CA C 53 56.352 55.153 1.199 1
1 513 . 11 1 1 A 53 53 GLU HA H 53 4.663 5.184 -0.521 1
1 514 . 11 1 1 A 53 53 GLU CB C 53 31.164 32.893 -1.729 1
1 518 . 11 1 1 A 53 53 GLU C C 53 173.491 175.966 -2.475 1
1 521 . 11 1 1 A 54 54 GLY N N 54 111.417 112.867 -1.450 1
1 522 . 11 1 1 A 54 54 GLY H H 54 7.465 8.518 -1.053 1
1 523 . 11 1 1 A 54 54 GLY CA C 54 43.622 44.768 -1.146 1
1 524 . 11 1 1 A 54 54 GLY HA3 H 54 2.287 4.082 -1.795 1
1 525 . 11 1 1 A 54 54 GLY C C 54 170.013 171.660 -1.647 1
1 526 . 11 1 1 A 54 54 GLY HA2 H 54 3.819 3.838 -0.019 1
1 527 . 11 1 1 A 55 55 LEU N N 55 117.446 122.437 -4.991 1
1 528 . 11 1 1 A 55 55 LEU H H 55 7.461 7.964 -0.503 1
1 529 . 11 1 1 A 55 55 LEU CA C 55 54.041 54.190 -0.149 1
1 530 . 11 1 1 A 55 55 LEU HA H 55 4.293 4.345 -0.052 1
1 531 . 11 1 1 A 55 55 LEU CB C 55 42.832 42.762 0.070 1
1 543 . 11 1 1 A 55 55 LEU C C 55 176.872 175.595 1.277 1
1 545 . 11 1 1 A 56 56 LEU N N 56 131.840 128.503 3.337 1
1 546 . 11 1 1 A 56 56 LEU H H 56 8.791 8.423 0.368 1
1 547 . 11 1 1 A 56 56 LEU CA C 56 53.807 55.196 -1.389 1
1 548 . 11 1 1 A 56 56 LEU HA H 56 5.053 4.227 0.826 1
1 549 . 11 1 1 A 56 56 LEU CB C 56 43.113 42.502 0.611 1
1 561 . 11 1 1 A 56 56 LEU C C 56 175.389 175.294 0.095 1
1 563 . 11 1 1 A 57 57 ALA N N 57 130.035 128.108 1.927 1
1 564 . 11 1 1 A 57 57 ALA H H 57 8.880 8.265 0.615 1
1 565 . 11 1 1 A 57 57 ALA CA C 57 51.758 50.515 1.243 1
1 566 . 11 1 1 A 57 57 ALA HA H 57 4.641 5.183 -0.542 1
1 567 . 11 1 1 A 57 57 ALA CB C 57 21.820 23.009 -1.189 1
1 571 . 11 1 1 A 57 57 ALA C C 57 174.647 175.801 -1.154 1
1 572 . 11 1 1 A 58 58 VAL N N 58 120.958 120.836 0.122 1
1 573 . 11 1 1 A 58 58 VAL H H 58 8.443 8.843 -0.400 1
1 574 . 11 1 1 A 58 58 VAL CA C 58 60.495 61.239 -0.744 1
1 575 . 11 1 1 A 58 58 VAL HA H 58 4.988 4.772 0.216 1
1 576 . 11 1 1 A 58 58 VAL CB C 58 34.639 34.504 0.135 1
1 586 . 11 1 1 A 58 58 VAL C C 58 174.646 175.020 -0.374 1
1 587 . 11 1 1 A 59 59 GLN N N 59 127.048 126.628 0.420 1
1 588 . 11 1 1 A 59 59 GLN H H 59 9.196 8.990 0.206 1
1 589 . 11 1 1 A 59 59 GLN CA C 59 54.587 54.486 0.101 1
1 590 . 11 1 1 A 59 59 GLN HA H 59 4.706 4.981 -0.275 1
1 591 . 11 1 1 A 59 59 GLN CB C 59 31.580 30.819 0.761 1
1 598 . 11 1 1 A 59 59 GLN C C 59 174.197 174.869 -0.672 1
1 601 . 11 1 1 A 60 60 ILE N N 60 127.617 125.597 2.020 1
1 602 . 11 1 1 A 60 60 ILE H H 60 9.299 9.035 0.264 1
1 603 . 11 1 1 A 60 60 ILE CA C 60 60.506 59.858 0.648 1
1 604 . 11 1 1 A 60 60 ILE HA H 60 5.210 4.993 0.217 1
1 605 . 11 1 1 A 60 60 ILE CB C 60 39.172 40.043 -0.871 1
1 617 . 11 1 1 A 60 60 ILE C C 60 175.608 174.974 0.634 1
1 619 . 11 1 1 A 61 61 THR N N 61 119.733 117.542 2.191 1
1 620 . 11 1 1 A 61 61 THR H H 61 8.924 8.802 0.122 1
1 621 . 11 1 1 A 61 61 THR CA C 61 59.565 59.472 0.093 1
1 622 . 11 1 1 A 61 61 THR HA H 61 5.173 5.535 -0.362 1
1 623 . 11 1 1 A 61 61 THR CB C 61 72.121 72.756 -0.635 1
1 629 . 11 1 1 A 61 61 THR C C 61 174.051 173.077 0.974 1
1 630 . 11 1 1 A 62 62 ASP N N 62 122.337 120.604 1.733 1
1 631 . 11 1 1 A 62 62 ASP H H 62 8.484 8.428 0.056 1
1 632 . 11 1 1 A 62 62 ASP CA C 62 52.200 51.566 0.634 1
1 633 . 11 1 1 A 62 62 ASP HA H 62 4.425 4.914 -0.489 1
1 634 . 11 1 1 A 62 62 ASP CB C 62 42.222 42.448 -0.226 1
1 636 . 11 1 1 A 62 62 ASP C C 62 179.086 177.782 1.304 1
1 638 . 11 1 1 A 63 63 GLN N N 63 118.341 117.702 0.639 1
1 639 . 11 1 1 A 63 63 GLN H H 63 8.250 8.826 -0.576 1
1 640 . 11 1 1 A 63 63 GLN CA C 63 58.406 58.602 -0.196 1
1 641 . 11 1 1 A 63 63 GLN HA H 63 4.049 4.075 -0.026 1
1 642 . 11 1 1 A 63 63 GLN CB C 63 28.127 28.077 0.050 1
1 649 . 11 1 1 A 63 63 GLN C C 63 177.152 178.171 -1.019 1
1 652 . 11 1 1 A 64 64 GLU N N 64 119.134 119.056 0.078 1
1 653 . 11 1 1 A 64 64 GLU H H 64 8.120 7.754 0.366 1
1 654 . 11 1 1 A 64 64 GLU CA C 64 55.790 56.920 -1.130 1
1 655 . 11 1 1 A 64 64 GLU HA H 64 4.423 4.349 0.074 1
1 656 . 11 1 1 A 64 64 GLU CB C 64 30.102 30.376 -0.274 1
1 660 . 11 1 1 A 64 64 GLU C C 64 176.374 176.664 -0.290 1
1 663 . 11 1 1 A 65 65 GLY N N 65 108.728 108.342 0.386 1
1 664 . 11 1 1 A 65 65 GLY H H 65 8.306 7.940 0.366 1
1 665 . 11 1 1 A 65 65 GLY CA C 65 45.285 45.888 -0.603 1
1 666 . 11 1 1 A 65 65 GLY HA3 H 65 3.561 3.931 -0.370 1
1 667 . 11 1 1 A 65 65 GLY C C 65 174.342 174.446 -0.104 1
1 668 . 11 1 1 A 65 65 GLY HA2 H 65 4.203 3.925 0.278 1
1 669 . 11 1 1 A 66 66 LYS N N 66 123.502 119.959 3.543 1
1 670 . 11 1 1 A 66 66 LYS H H 66 8.528 8.131 0.397 1
1 671 . 11 1 1 A 66 66 LYS CA C 66 53.738 53.235 0.503 1
1 672 . 11 1 1 A 66 66 LYS HA H 66 4.613 4.734 -0.121 1
1 673 . 11 1 1 A 66 66 LYS CB C 66 31.167 32.194 -1.027 1
1 681 . 11 1 1 A 66 66 LYS C C 66 174.752 174.306 0.446 1
1 686 . 11 1 1 A 67 67 PRO CA C 67 62.433 62.690 -0.257 1
1 687 . 11 1 1 A 67 67 PRO HA H 67 5.062 4.721 0.341 1
1 688 . 11 1 1 A 67 67 PRO CB C 67 32.725 32.030 0.695 1
1 694 . 11 1 1 A 67 67 PRO C C 67 177.270 175.999 1.271 1
1 698 . 11 1 1 A 68 68 LYS N N 68 121.461 121.569 -0.108 1
1 699 . 11 1 1 A 68 68 LYS H H 68 8.419 8.576 -0.157 1
1 700 . 11 1 1 A 68 68 LYS CA C 68 52.023 54.687 -2.664 1
1 701 . 11 1 1 A 68 68 LYS HA H 68 4.797 4.882 -0.085 1
1 702 . 11 1 1 A 68 68 LYS CB C 68 32.611 35.603 -2.992 1
1 710 . 11 1 1 A 68 68 LYS C C 68 175.389 175.627 -0.238 1
1 715 . 11 1 1 A 69 69 ARG N N 69 124.040 123.491 0.549 1
1 716 . 11 1 1 A 69 69 ARG H H 69 8.683 8.612 0.071 1
1 717 . 11 1 1 A 69 69 ARG CA C 69 57.045 56.937 0.108 1
1 718 . 11 1 1 A 69 69 ARG HA H 69 4.221 4.430 -0.209 1
1 719 . 11 1 1 A 69 69 ARG CB C 69 30.712 30.603 0.109 1
1 725 . 11 1 1 A 69 69 ARG C C 69 174.877 175.161 -0.284 1
1 729 . 11 1 1 A 70 70 ALA N N 70 127.074 128.195 -1.121 1
1 730 . 11 1 1 A 70 70 ALA H H 70 8.421 8.544 -0.123 1
1 731 . 11 1 1 A 70 70 ALA CA C 70 50.360 50.700 -0.340 1
1 732 . 11 1 1 A 70 70 ALA HA H 70 4.859 5.159 -0.300 1
1 733 . 11 1 1 A 70 70 ALA CB C 70 20.569 22.187 -1.618 1
1 737 . 11 1 1 A 70 70 ALA C C 70 176.313 175.689 0.624 1
1 738 . 11 1 1 A 71 71 ILE N N 71 124.496 123.378 1.118 1
1 739 . 11 1 1 A 71 71 ILE H H 71 8.943 8.906 0.037 1
1 740 . 11 1 1 A 71 71 ILE CA C 71 60.870 60.504 0.366 1
1 741 . 11 1 1 A 71 71 ILE HA H 71 4.195 4.600 -0.405 1
1 742 . 11 1 1 A 71 71 ILE CB C 71 38.457 38.617 -0.160 1
1 754 . 11 1 1 A 71 71 ILE C C 71 175.027 175.324 -0.297 1
1 756 . 11 1 1 A 72 72 VAL N N 72 128.410 127.370 1.040 1
1 757 . 11 1 1 A 72 72 VAL H H 72 8.714 8.839 -0.125 1
1 758 . 11 1 1 A 72 72 VAL CA C 72 61.867 59.713 2.154 1
1 759 . 11 1 1 A 72 72 VAL HA H 72 4.478 4.989 -0.511 1
1 760 . 11 1 1 A 72 72 VAL CB C 72 32.745 34.288 -1.543 1
1 770 . 11 1 1 A 72 72 VAL C C 72 175.279 173.676 1.603 1
1 771 . 11 1 1 A 73 73 HIS N N 73 129.084 129.817 -0.733 1
1 772 . 11 1 1 A 73 73 HIS H H 73 9.783 8.966 0.817 1
1 773 . 11 1 1 A 73 73 HIS CA C 73 55.366 53.912 1.454 1
1 774 . 11 1 1 A 73 73 HIS HA H 73 4.849 5.335 -0.486 1
1 775 . 11 1 1 A 73 73 HIS CB C 73 31.465 32.851 -1.386 1
1 781 . 11 1 1 A 73 73 HIS C C 73 173.491 173.141 0.350 1
1 783 . 11 1 1 A 74 74 ASP N N 74 127.118 125.571 1.547 1
1 784 . 11 1 1 A 74 74 ASP H H 74 8.541 8.374 0.167 1
1 785 . 11 1 1 A 74 74 ASP CA C 74 53.048 52.478 0.570 1
1 786 . 11 1 1 A 74 74 ASP HA H 74 4.476 5.349 -0.873 1
1 787 . 11 1 1 A 74 74 ASP CB C 74 41.554 42.539 -0.985 1
1 789 . 11 1 1 A 74 74 ASP C C 74 175.936 175.570 0.366 1
1 791 . 11 1 1 A 75 75 ASN N N 75 124.002 120.230 3.772 1
1 792 . 11 1 1 A 75 75 ASN H H 75 7.827 8.697 -0.870 1
1 793 . 11 1 1 A 75 75 ASN CA C 75 54.517 53.161 1.356 1
1 794 . 11 1 1 A 75 75 ASN HA H 75 4.572 4.830 -0.258 1
1 795 . 11 1 1 A 75 75 ASN CB C 75 38.091 39.858 -1.767 1
1 800 . 11 1 1 A 75 75 ASN C C 75 175.352 174.749 0.603 1
1 802 . 11 1 1 A 76 76 LYS N N 76 114.689 115.738 -1.049 1
1 803 . 11 1 1 A 76 76 LYS H H 76 9.246 7.653 1.593 1
1 804 . 11 1 1 A 76 76 LYS CA C 76 57.428 57.111 0.317 1
1 805 . 11 1 1 A 76 76 LYS HA H 76 3.882 3.839 0.043 1
1 806 . 11 1 1 A 76 76 LYS CB C 76 28.223 28.992 -0.769 1
1 814 . 11 1 1 A 76 76 LYS C C 76 174.975 174.837 0.138 1
1 819 . 11 1 1 A 77 77 ASP N N 77 117.462 118.440 -0.978 1
1 820 . 11 1 1 A 77 77 ASP H H 77 7.831 7.856 -0.025 1
1 821 . 11 1 1 A 77 77 ASP CA C 77 52.168 52.999 -0.831 1
1 822 . 11 1 1 A 77 77 ASP HA H 77 4.706 4.837 -0.131 1
1 823 . 11 1 1 A 77 77 ASP CB C 77 41.224 41.070 0.154 1
1 825 . 11 1 1 A 77 77 ASP C C 77 176.739 176.133 0.606 1
1 827 . 11 1 1 A 78 78 GLY N N 78 109.485 107.981 1.504 1
1 828 . 11 1 1 A 78 78 GLY H H 78 8.658 8.577 0.081 1
1 829 . 11 1 1 A 78 78 GLY CA C 78 45.568 45.501 0.067 1
1 830 . 11 1 1 A 78 78 GLY HA3 H 78 3.698 3.863 -0.165 1
1 831 . 11 1 1 A 78 78 GLY C C 78 172.263 173.445 -1.182 1
1 832 . 11 1 1 A 78 78 GLY HA2 H 78 4.323 3.857 0.466 1
1 833 . 11 1 1 A 79 79 THR N N 79 109.462 109.834 -0.372 1
1 834 . 11 1 1 A 79 79 THR H H 79 8.057 7.288 0.769 1
1 835 . 11 1 1 A 79 79 THR CA C 79 59.989 59.607 0.382 1
1 836 . 11 1 1 A 79 79 THR HA H 79 5.566 5.201 0.365 1
1 837 . 11 1 1 A 79 79 THR CB C 79 72.712 72.940 -0.228 1
1 843 . 11 1 1 A 79 79 THR C C 79 173.868 172.104 1.764 1
1 844 . 11 1 1 A 80 80 TYR N N 80 116.428 119.604 -3.176 1
1 845 . 11 1 1 A 80 80 TYR H H 80 9.085 8.909 0.176 1
1 846 . 11 1 1 A 80 80 TYR CA C 80 56.533 56.610 -0.077 1
1 847 . 11 1 1 A 80 80 TYR HA H 80 5.372 5.059 0.313 1
1 848 . 11 1 1 A 80 80 TYR CB C 80 42.831 43.173 -0.342 1
1 858 . 11 1 1 A 80 80 TYR C C 80 175.327 174.650 0.677 1
1 860 . 11 1 1 A 81 81 ALA N N 81 126.743 124.452 2.291 1
1 861 . 11 1 1 A 81 81 ALA H H 81 9.302 8.475 0.827 1
1 862 . 11 1 1 A 81 81 ALA CA C 81 51.121 50.026 1.095 1
1 863 . 11 1 1 A 81 81 ALA HA H 81 5.149 5.703 -0.554 1
1 864 . 11 1 1 A 81 81 ALA CB C 81 22.111 22.371 -0.260 1
1 868 . 11 1 1 A 81 81 ALA C C 81 175.505 175.774 -0.269 1
1 869 . 11 1 1 A 82 82 VAL N N 82 124.472 120.894 3.578 1
1 870 . 11 1 1 A 82 82 VAL H H 82 8.940 8.342 0.598 1
1 871 . 11 1 1 A 82 82 VAL CA C 82 60.264 60.891 -0.627 1
1 872 . 11 1 1 A 82 82 VAL HA H 82 5.039 4.639 0.400 1
1 873 . 11 1 1 A 82 82 VAL CB C 82 33.236 34.536 -1.300 1
1 883 . 11 1 1 A 82 82 VAL C C 82 174.517 174.381 0.136 1
1 884 . 11 1 1 A 83 83 THR N N 83 121.500 122.748 -1.248 1
1 885 . 11 1 1 A 83 83 THR H H 83 8.717 8.240 0.477 1
1 886 . 11 1 1 A 83 83 THR CA C 83 61.075 62.215 -1.140 1
1 887 . 11 1 1 A 83 83 THR HA H 83 5.497 4.955 0.542 1
1 888 . 11 1 1 A 83 83 THR CB C 83 72.153 70.943 1.210 1
1 894 . 11 1 1 A 83 83 THR C C 83 173.515 173.669 -0.154 1
1 895 . 11 1 1 A 84 84 TYR N N 84 122.841 120.940 1.901 1
1 896 . 11 1 1 A 84 84 TYR H H 84 9.014 8.508 0.506 1
1 897 . 11 1 1 A 84 84 TYR CA C 84 55.985 55.828 0.157 1
1 898 . 11 1 1 A 84 84 TYR HA H 84 4.979 5.269 -0.290 1
1 899 . 11 1 1 A 84 84 TYR CB C 84 41.967 41.495 0.472 1
1 909 . 11 1 1 A 84 84 TYR C C 84 171.873 172.871 -0.998 1
1 911 . 11 1 1 A 85 85 ILE N N 85 118.254 123.342 -5.088 1
1 912 . 11 1 1 A 85 85 ILE H H 85 8.805 8.871 -0.066 1
1 913 . 11 1 1 A 85 85 ILE CA C 85 57.883 58.099 -0.216 1
1 914 . 11 1 1 A 85 85 ILE HA H 85 4.550 4.544 0.006 1
1 915 . 11 1 1 A 85 85 ILE CB C 85 40.179 39.141 1.038 1
1 927 . 11 1 1 A 85 85 ILE C C 85 174.339 174.784 -0.445 1
1 929 . 11 1 1 A 86 86 PRO CA C 86 61.414 62.621 -1.207 1
1 930 . 11 1 1 A 86 86 PRO HA H 86 4.436 4.631 -0.195 1
1 931 . 11 1 1 A 86 86 PRO CB C 86 30.107 31.653 -1.546 1
1 937 . 11 1 1 A 86 86 PRO C C 86 175.126 176.407 -1.281 1
1 941 . 11 1 1 A 87 87 ASP N N 87 123.447 121.906 1.541 1
1 942 . 11 1 1 A 87 87 ASP H H 87 8.501 9.020 -0.519 1
1 943 . 11 1 1 A 87 87 ASP CA C 87 55.668 57.232 -1.564 1
1 944 . 11 1 1 A 87 87 ASP HA H 87 4.263 4.823 -0.560 1
1 945 . 11 1 1 A 87 87 ASP CB C 87 40.930 42.346 -1.416 1
1 947 . 11 1 1 A 87 87 ASP C C 87 175.182 176.845 -1.663 1
1 949 . 11 1 1 A 88 88 LYS N N 88 116.947 118.055 -1.108 1
1 950 . 11 1 1 A 88 88 LYS H H 88 7.683 7.868 -0.185 1
1 951 . 11 1 1 A 88 88 LYS CA C 88 54.995 55.084 -0.089 1
1 952 . 11 1 1 A 88 88 LYS HA H 88 4.588 4.466 0.122 1
1 953 . 11 1 1 A 88 88 LYS CB C 88 34.821 31.780 3.041 1
1 961 . 11 1 1 A 88 88 LYS C C 88 177.529 175.997 1.532 1
1 966 . 11 1 1 A 89 89 THR N N 89 114.134 118.769 -4.635 1
1 967 . 11 1 1 A 89 89 THR H H 89 8.588 8.277 0.311 1
1 968 . 11 1 1 A 89 89 THR CA C 89 62.828 62.422 0.406 1
1 969 . 11 1 1 A 89 89 THR HA H 89 4.083 4.114 -0.031 1
1 970 . 11 1 1 A 89 89 THR CB C 89 69.590 69.576 0.014 1
1 976 . 11 1 1 A 89 89 THR C C 89 174.269 174.202 0.067 1
1 977 . 11 1 1 A 90 90 GLY N N 90 109.440 108.532 0.908 1
1 978 . 11 1 1 A 90 90 GLY H H 90 8.444 8.472 -0.028 1
1 979 . 11 1 1 A 90 90 GLY CA C 90 44.648 44.464 0.184 1
1 980 . 11 1 1 A 90 90 GLY HA3 H 90 4.467 4.049 0.418 1
1 981 . 11 1 1 A 90 90 GLY C C 90 172.469 172.367 0.102 1
1 982 . 11 1 1 A 90 90 GLY HA2 H 90 3.908 3.991 -0.083 1
1 983 . 11 1 1 A 91 91 ARG N N 91 120.781 123.029 -2.248 1
1 984 . 11 1 1 A 91 91 ARG H H 91 8.271 8.137 0.134 1
1 985 . 11 1 1 A 91 91 ARG CA C 91 56.178 54.324 1.854 1
1 986 . 11 1 1 A 91 91 ARG HA H 91 4.951 4.813 0.138 1
1 987 . 11 1 1 A 91 91 ARG CB C 91 31.986 33.255 -1.269 1
1 993 . 11 1 1 A 91 91 ARG C C 91 175.711 174.815 0.896 1
1 997 . 11 1 1 A 92 92 TYR N N 92 122.381 121.293 1.088 1
1 998 . 11 1 1 A 92 92 TYR H H 92 9.312 9.315 -0.003 1
1 999 . 11 1 1 A 92 92 TYR CA C 92 56.886 56.572 0.314 1
1 1000 . 11 1 1 A 92 92 TYR HA H 92 4.960 5.034 -0.074 1
1 1001 . 11 1 1 A 92 92 TYR CB C 92 41.223 40.313 0.910 1
1 1011 . 11 1 1 A 92 92 TYR C C 92 174.902 174.233 0.669 1
1 1013 . 11 1 1 A 93 93 MET N N 93 121.210 124.577 -3.367 1
1 1014 . 11 1 1 A 93 93 MET H H 93 8.819 9.280 -0.461 1
1 1015 . 11 1 1 A 93 93 MET CA C 93 53.745 53.930 -0.185 1
1 1016 . 11 1 1 A 93 93 MET HA H 93 5.346 5.065 0.281 1
1 1017 . 11 1 1 A 93 93 MET CB C 93 34.220 35.049 -0.829 1
1 1025 . 11 1 1 A 93 93 MET C C 93 175.365 175.003 0.362 1
1 1028 . 11 1 1 A 94 94 ILE N N 94 125.747 126.830 -1.083 1
1 1029 . 11 1 1 A 94 94 ILE H H 94 9.372 8.820 0.552 1
1 1030 . 11 1 1 A 94 94 ILE CA C 94 60.685 59.627 1.058 1
1 1031 . 11 1 1 A 94 94 ILE HA H 94 4.606 4.827 -0.221 1
1 1032 . 11 1 1 A 94 94 ILE CB C 94 39.188 40.401 -1.213 1
1 1044 . 11 1 1 A 94 94 ILE C C 94 174.987 175.055 -0.068 1
1 1046 . 11 1 1 A 95 95 GLY N N 95 116.553 115.259 1.294 1
1 1047 . 11 1 1 A 95 95 GLY H H 95 9.509 9.249 0.260 1
1 1048 . 11 1 1 A 95 95 GLY CA C 95 44.507 45.480 -0.973 1
1 1049 . 11 1 1 A 95 95 GLY HA3 H 95 3.605 4.146 -0.541 1
1 1050 . 11 1 1 A 95 95 GLY C C 95 173.175 172.709 0.466 1
1 1051 . 11 1 1 A 95 95 GLY HA2 H 95 4.606 4.122 0.484 1
1 1052 . 11 1 1 A 96 96 VAL N N 96 127.036 127.154 -0.118 1
1 1053 . 11 1 1 A 96 96 VAL H H 96 9.299 8.489 0.810 1
1 1054 . 11 1 1 A 96 96 VAL CA C 96 61.308 63.143 -1.835 1
1 1055 . 11 1 1 A 96 96 VAL HA H 96 4.889 4.377 0.512 1
1 1056 . 11 1 1 A 96 96 VAL CB C 96 34.145 31.584 2.561 1
1 1066 . 11 1 1 A 96 96 VAL C C 96 174.354 175.643 -1.289 1
1 1067 . 11 1 1 A 97 97 THR N N 97 115.219 119.005 -3.786 1
1 1068 . 11 1 1 A 97 97 THR H H 97 9.018 8.674 0.344 1
1 1069 . 11 1 1 A 97 97 THR CA C 97 57.826 59.599 -1.773 1
1 1070 . 11 1 1 A 97 97 THR HA H 97 5.265 5.536 -0.271 1
1 1071 . 11 1 1 A 97 97 THR CB C 97 72.753 71.631 1.122 1
1 1077 . 11 1 1 A 97 97 THR C C 97 173.175 172.861 0.314 1
1 1078 . 11 1 1 A 98 98 TYR N N 98 122.768 124.859 -2.091 1
1 1079 . 11 1 1 A 98 98 TYR H H 98 9.149 9.314 -0.165 1
1 1080 . 11 1 1 A 98 98 TYR CA C 98 57.488 57.008 0.480 1
1 1081 . 11 1 1 A 98 98 TYR HA H 98 5.077 4.972 0.105 1
1 1082 . 11 1 1 A 98 98 TYR CB C 98 43.122 41.490 1.632 1
1 1092 . 11 1 1 A 98 98 TYR C C 98 175.949 175.537 0.412 1
1 1094 . 11 1 1 A 99 99 GLY N N 99 113.994 114.930 -0.936 1
1 1095 . 11 1 1 A 99 99 GLY H H 99 8.402 8.554 -0.152 1
1 1096 . 11 1 1 A 99 99 GLY CA C 99 45.010 46.463 -1.453 1
1 1097 . 11 1 1 A 99 99 GLY HA3 H 99 2.623 3.343 -0.720 1
1 1098 . 11 1 1 A 99 99 GLY C C 99 174.197 174.958 -0.761 1
1 1099 . 11 1 1 A 99 99 GLY HA2 H 99 3.220 2.928 0.292 1
1 1100 . 11 1 1 A 100 100 GLY N N 100 103.115 106.017 -2.902 1
1 1101 . 11 1 1 A 100 100 GLY H H 100 8.288 8.601 -0.313 1
1 1102 . 11 1 1 A 100 100 GLY CA C 100 44.170 46.410 -2.240 1
1 1103 . 11 1 1 A 100 100 GLY HA3 H 100 4.265 3.899 0.366 1
1 1104 . 11 1 1 A 100 100 GLY C C 100 173.054 173.356 -0.302 1
1 1105 . 11 1 1 A 100 100 GLY HA2 H 100 3.284 3.892 -0.608 1
1 1106 . 11 1 1 A 101 101 ASP N N 101 120.566 119.462 1.104 1
1 1107 . 11 1 1 A 101 101 ASP H H 101 7.245 7.839 -0.594 1
1 1108 . 11 1 1 A 101 101 ASP CA C 101 52.908 53.245 -0.337 1
1 1109 . 11 1 1 A 101 101 ASP HA H 101 5.012 5.073 -0.061 1
1 1110 . 11 1 1 A 101 101 ASP CB C 101 42.831 44.068 -1.237 1
1 1112 . 11 1 1 A 101 101 ASP C C 101 175.182 175.351 -0.169 1
1 1114 . 11 1 1 A 102 102 ASP N N 102 122.668 125.249 -2.581 1
1 1115 . 11 1 1 A 102 102 ASP H H 102 8.597 8.979 -0.382 1
1 1116 . 11 1 1 A 102 102 ASP CA C 102 56.233 54.714 1.519 1
1 1117 . 11 1 1 A 102 102 ASP HA H 102 4.667 4.631 0.036 1
1 1118 . 11 1 1 A 102 102 ASP CB C 102 42.373 41.109 1.264 1
1 1120 . 11 1 1 A 102 102 ASP C C 102 176.970 176.063 0.907 1
1 1122 . 11 1 1 A 103 103 ILE N N 103 117.672 119.142 -1.470 1
1 1123 . 11 1 1 A 103 103 ILE H H 103 7.887 8.223 -0.336 1
1 1124 . 11 1 1 A 103 103 ILE CA C 103 61.025 59.912 1.113 1
1 1125 . 11 1 1 A 103 103 ILE HA H 103 4.526 4.556 -0.030 1
1 1126 . 11 1 1 A 103 103 ILE CB C 103 35.534 37.600 -2.066 1
1 1138 . 11 1 1 A 103 103 ILE C C 103 173.902 176.576 -2.674 1
1 1140 . 11 1 1 A 104 104 PRO CA C 104 66.456 64.201 2.255 1
1 1141 . 11 1 1 A 104 104 PRO HA H 104 4.177 4.541 -0.364 1
1 1142 . 11 1 1 A 104 104 PRO CB C 104 31.709 31.611 0.098 1
1 1151 . 11 1 1 A 105 105 LEU N N 105 115.386 117.711 -2.325 1
1 1152 . 11 1 1 A 105 105 LEU H H 105 8.464 7.957 0.507 1
1 1153 . 11 1 1 A 105 105 LEU CA C 105 55.294 55.188 0.106 1
1 1154 . 11 1 1 A 105 105 LEU HA H 105 3.845 4.336 -0.491 1
1 1155 . 11 1 1 A 105 105 LEU CB C 105 39.148 42.660 -3.512 1
1 1168 . 11 1 1 A 106 106 SER N N 106 111.669 114.597 -2.928 1
1 1169 . 11 1 1 A 106 106 SER H H 106 7.338 7.668 -0.330 1
1 1170 . 11 1 1 A 106 106 SER CA C 106 54.750 57.069 -2.319 1
1 1171 . 11 1 1 A 106 106 SER HA H 106 4.347 4.672 -0.325 1
1 1172 . 11 1 1 A 106 106 SER CB C 106 64.133 63.257 0.876 1
1 1175 . 11 1 1 A 107 107 PRO CA C 107 62.344 62.452 -0.108 1
1 1176 . 11 1 1 A 107 107 PRO HA H 107 5.323 4.804 0.519 1
1 1177 . 11 1 1 A 107 107 PRO CB C 107 33.977 32.977 1.000 1
1 1183 . 11 1 1 A 107 107 PRO C C 107 176.003 174.719 1.284 1
1 1187 . 11 1 1 A 108 108 TYR N N 108 122.832 119.323 3.509 1
1 1188 . 11 1 1 A 108 108 TYR H H 108 9.294 8.296 0.998 1
1 1189 . 11 1 1 A 108 108 TYR CA C 108 57.629 56.649 0.980 1
1 1190 . 11 1 1 A 108 108 TYR HA H 108 4.428 4.898 -0.470 1
1 1191 . 11 1 1 A 108 108 TYR CB C 108 40.091 41.009 -0.918 1
1 1201 . 11 1 1 A 108 108 TYR C C 108 175.851 175.648 0.203 1
1 1203 . 11 1 1 A 109 109 ARG N N 109 122.941 123.113 -0.172 1
1 1204 . 11 1 1 A 109 109 ARG H H 109 8.746 8.475 0.271 1
1 1205 . 11 1 1 A 109 109 ARG CA C 109 55.259 55.860 -0.601 1
1 1206 . 11 1 1 A 109 109 ARG HA H 109 5.189 4.548 0.641 1
1 1207 . 11 1 1 A 109 109 ARG CB C 109 30.879 30.618 0.261 1
1 1213 . 11 1 1 A 109 109 ARG C C 109 175.522 175.814 -0.292 1
1 1217 . 11 1 1 A 110 110 ILE N N 110 125.109 122.692 2.417 1
1 1218 . 11 1 1 A 110 110 ILE H H 110 8.742 8.676 0.066 1
1 1219 . 11 1 1 A 110 110 ILE CA C 110 57.577 60.133 -2.556 1
1 1220 . 11 1 1 A 110 110 ILE HA H 110 4.758 4.817 -0.059 1
1 1221 . 11 1 1 A 110 110 ILE CB C 110 41.138 42.517 -1.379 1
1 1233 . 11 1 1 A 110 110 ILE C C 110 175.121 174.752 0.369 1
1 1235 . 11 1 1 A 111 111 ARG N N 111 125.357 124.887 0.470 1
1 1236 . 11 1 1 A 111 111 ARG H H 111 8.776 8.807 -0.031 1
1 1237 . 11 1 1 A 111 111 ARG CA C 111 54.730 53.998 0.732 1
1 1238 . 11 1 1 A 111 111 ARG HA H 111 5.053 5.312 -0.259 1
1 1239 . 11 1 1 A 111 111 ARG CB C 111 32.685 33.598 -0.913 1
1 1245 . 11 1 1 A 111 111 ARG C C 111 174.163 175.352 -1.189 1
1 1249 . 11 1 1 A 112 112 ALA N N 112 127.119 128.034 -0.915 1
1 1250 . 11 1 1 A 112 112 ALA H H 112 9.208 8.382 0.826 1
1 1251 . 11 1 1 A 112 112 ALA CA C 112 49.945 51.681 -1.736 1
1 1252 . 11 1 1 A 112 112 ALA HA H 112 5.851 5.057 0.794 1
1 1253 . 11 1 1 A 112 112 ALA CB C 112 21.329 19.802 1.527 1
1 1257 . 11 1 1 A 112 112 ALA C C 112 178.853 176.639 2.214 1
1 1258 . 11 1 1 A 113 113 THR N N 113 116.033 115.813 0.220 1
1 1259 . 11 1 1 A 113 113 THR H H 113 8.995 8.862 0.133 1
1 1260 . 11 1 1 A 113 113 THR CA C 113 60.312 61.281 -0.969 1
1 1261 . 11 1 1 A 113 113 THR HA H 113 4.695 4.694 0.001 1
1 1262 . 11 1 1 A 113 113 THR CB C 113 71.251 68.537 2.714 1
1 1268 . 11 1 1 A 113 113 THR C C 113 173.710 173.431 0.279 1
1 1269 . 11 1 1 A 114 114 GLN N N 114 122.122 127.429 -5.307 1
1 1270 . 11 1 1 A 114 114 GLN H H 114 8.753 8.787 -0.034 1
1 1271 . 11 1 1 A 114 114 GLN CA C 114 55.817 56.214 -0.397 1
1 1272 . 11 1 1 A 114 114 GLN HA H 114 4.570 4.570 0.000 1
1 1273 . 11 1 1 A 114 114 GLN CB C 114 30.106 29.164 0.942 1
1 1280 . 11 1 1 A 114 114 GLN C C 114 176.106 174.740 1.366 1
1 1283 . 11 1 1 A 115 115 THR N N 115 117.345 121.979 -4.634 1
1 1284 . 11 1 1 A 115 115 THR H H 115 8.493 8.692 -0.199 1
1 1285 . 11 1 1 A 115 115 THR CA C 115 62.328 61.245 1.083 1
1 1286 . 11 1 1 A 115 115 THR HA H 115 4.351 4.863 -0.512 1
1 1287 . 11 1 1 A 115 115 THR CB C 115 69.874 71.876 -2.002 1
1 1293 . 11 1 1 A 115 115 THR C C 115 175.158 173.739 1.419 1
1 1294 . 11 1 1 A 116 116 GLY N N 116 111.927 113.293 -1.366 1
1 1295 . 11 1 1 A 116 116 GLY H H 116 8.559 8.457 0.102 1
1 1296 . 11 1 1 A 116 116 GLY CA C 116 45.315 43.960 1.355 1
1 1297 . 11 1 1 A 116 116 GLY HA3 H 116 3.934 4.185 -0.251 1
1 1298 . 11 1 1 A 116 116 GLY C C 116 173.820 173.908 -0.088 1
1 1299 . 11 1 1 A 116 116 GLY HA2 H 116 4.030 4.183 -0.153 1
1 1300 . 11 1 1 A 117 117 ASP N N 117 120.643 121.647 -1.004 1
1 1301 . 11 1 1 A 117 117 ASP H H 117 8.208 9.261 -1.053 1
1 1302 . 11 1 1 A 117 117 ASP CA C 117 54.393 54.937 -0.544 1
1 1303 . 11 1 1 A 117 117 ASP HA H 117 4.615 4.323 0.292 1
1 1304 . 11 1 1 A 117 117 ASP CB C 117 41.388 39.596 1.792 1
1 1306 . 11 1 1 A 117 117 ASP C C 117 175.973 174.989 0.984 1
1 1308 . 11 1 1 A 118 118 ALA N N 118 124.934 121.173 3.761 1
1 1309 . 11 1 1 A 118 118 ALA H H 118 8.312 7.805 0.507 1
1 1310 . 11 1 1 A 118 118 ALA CA C 118 52.447 50.659 1.788 1
1 1311 . 11 1 1 A 118 118 ALA HA H 118 4.415 4.592 -0.177 1
1 1312 . 11 1 1 A 118 118 ALA CB C 118 19.339 20.148 -0.809 1
1 1316 . 11 1 1 A 118 118 ALA C C 118 176.848 176.960 -0.112 1
1 1 . 12 1 1 A 9 9 SER HA H 9 4.733 5.282 -0.549 1
1 2 . 12 1 1 A 10 10 PRO CA C 10 63.335 62.343 0.992 1
1 3 . 12 1 1 A 10 10 PRO HA H 10 4.399 4.452 -0.053 1
1 4 . 12 1 1 A 10 10 PRO CB C 10 31.938 32.519 -0.581 1
1 10 . 12 1 1 A 10 10 PRO C C 10 176.442 176.737 -0.295 1
1 14 . 12 1 1 A 11 11 PHE N N 11 119.801 120.518 -0.717 1
1 15 . 12 1 1 A 11 11 PHE H H 11 8.036 8.412 -0.376 1
1 16 . 12 1 1 A 11 11 PHE CA C 11 57.505 57.657 -0.152 1
1 17 . 12 1 1 A 11 11 PHE HA H 11 4.606 4.781 -0.175 1
1 18 . 12 1 1 A 11 11 PHE CB C 11 39.592 39.289 0.303 1
1 30 . 12 1 1 A 11 11 PHE C C 11 175.401 175.312 0.089 1
1 32 . 12 1 1 A 12 12 LYS N N 12 123.563 118.936 4.627 1
1 33 . 12 1 1 A 12 12 LYS H H 12 8.112 8.871 -0.759 1
1 34 . 12 1 1 A 12 12 LYS CA C 12 56.175 55.362 0.813 1
1 35 . 12 1 1 A 12 12 LYS HA H 12 4.322 4.603 -0.281 1
1 36 . 12 1 1 A 12 12 LYS CB C 12 33.352 32.856 0.496 1
1 44 . 12 1 1 A 12 12 LYS C C 12 175.802 175.001 0.801 1
1 49 . 12 1 1 A 13 13 VAL N N 13 122.071 119.713 2.358 1
1 50 . 12 1 1 A 13 13 VAL H H 13 8.080 7.695 0.385 1
1 51 . 12 1 1 A 13 13 VAL CA C 13 62.280 60.619 1.661 1
1 52 . 12 1 1 A 13 13 VAL HA H 13 4.036 4.823 -0.787 1
1 53 . 12 1 1 A 13 13 VAL CB C 13 32.895 35.143 -2.248 1
1 63 . 12 1 1 A 13 13 VAL C C 13 175.814 174.808 1.006 1
1 64 . 12 1 1 A 14 14 LYS N N 14 125.874 125.838 0.036 1
1 65 . 12 1 1 A 14 14 LYS H H 14 8.392 8.814 -0.422 1
1 66 . 12 1 1 A 14 14 LYS CA C 14 56.250 55.037 1.213 1
1 67 . 12 1 1 A 14 14 LYS HA H 14 4.322 5.160 -0.838 1
1 68 . 12 1 1 A 14 14 LYS CB C 14 33.193 35.336 -2.143 1
1 73 . 12 1 1 A 14 14 LYS C C 14 175.973 175.171 0.802 1
1 75 . 12 1 1 A 15 15 VAL N N 15 123.129 117.595 5.534 1
1 76 . 12 1 1 A 15 15 VAL H H 15 8.204 8.834 -0.630 1
1 77 . 12 1 1 A 15 15 VAL CA C 15 62.033 58.733 3.300 1
1 78 . 12 1 1 A 15 15 VAL HA H 15 4.100 4.819 -0.719 1
1 79 . 12 1 1 A 15 15 VAL CB C 15 32.858 35.400 -2.542 1
1 89 . 12 1 1 A 15 15 VAL C C 15 175.717 175.225 0.492 1
1 90 . 12 1 1 A 16 16 LEU N N 16 127.971 124.888 3.083 1
1 91 . 12 1 1 A 16 16 LEU H H 16 8.378 8.456 -0.078 1
1 92 . 12 1 1 A 16 16 LEU CA C 16 52.885 54.054 -1.169 1
1 93 . 12 1 1 A 16 16 LEU HA H 16 4.624 4.268 0.356 1
1 94 . 12 1 1 A 16 16 LEU CB C 16 41.706 41.614 0.092 1
1 106 . 12 1 1 A 16 16 LEU C C 16 175.092 174.926 0.166 1
1 108 . 12 1 1 A 17 17 PRO CA C 17 62.704 62.443 0.261 1
1 109 . 12 1 1 A 17 17 PRO HA H 17 4.556 4.664 -0.108 1
1 110 . 12 1 1 A 17 17 PRO CB C 17 32.293 33.170 -0.877 1
1 116 . 12 1 1 A 17 17 PRO C C 17 177.319 176.804 0.515 1
1 120 . 12 1 1 A 18 18 THR N N 18 112.726 113.256 -0.530 1
1 121 . 12 1 1 A 18 18 THR H H 18 8.497 8.705 -0.208 1
1 122 . 12 1 1 A 18 18 THR CA C 18 62.335 62.552 -0.217 1
1 123 . 12 1 1 A 18 18 THR HA H 18 4.352 4.350 0.002 1
1 124 . 12 1 1 A 18 18 THR CB C 18 69.700 69.249 0.451 1
1 130 . 12 1 1 A 18 18 THR C C 18 173.418 174.348 -0.930 1
1 131 . 12 1 1 A 19 19 TYR N N 19 118.883 119.966 -1.083 1
1 132 . 12 1 1 A 19 19 TYR H H 19 7.244 7.834 -0.590 1
1 133 . 12 1 1 A 19 19 TYR CA C 19 55.270 58.020 -2.750 1
1 134 . 12 1 1 A 19 19 TYR HA H 19 5.404 4.532 0.872 1
1 135 . 12 1 1 A 19 19 TYR CB C 19 40.974 39.743 1.231 1
1 145 . 12 1 1 A 19 19 TYR C C 19 174.318 175.180 -0.862 1
1 147 . 12 1 1 A 20 20 ASP N N 20 118.193 120.264 -2.071 1
1 148 . 12 1 1 A 20 20 ASP H H 20 8.686 8.998 -0.312 1
1 149 . 12 1 1 A 20 20 ASP CA C 20 53.226 53.376 -0.150 1
1 150 . 12 1 1 A 20 20 ASP HA H 20 4.539 5.109 -0.570 1
1 151 . 12 1 1 A 20 20 ASP CB C 20 41.490 43.663 -2.173 1
1 153 . 12 1 1 A 20 20 ASP C C 20 176.349 176.225 0.124 1
1 155 . 12 1 1 A 21 21 ALA N N 21 127.255 128.634 -1.379 1
1 156 . 12 1 1 A 21 21 ALA H H 21 9.404 9.189 0.215 1
1 157 . 12 1 1 A 21 21 ALA CA C 21 55.157 55.924 -0.767 1
1 158 . 12 1 1 A 21 21 ALA HA H 21 4.204 4.180 0.024 1
1 159 . 12 1 1 A 21 21 ALA CB C 21 19.890 18.358 1.532 1
1 163 . 12 1 1 A 21 21 ALA C C 21 178.113 179.496 -1.383 1
1 164 . 12 1 1 A 22 22 SER N N 22 110.959 114.126 -3.167 1
1 165 . 12 1 1 A 22 22 SER H H 22 8.397 8.050 0.347 1
1 166 . 12 1 1 A 22 22 SER CA C 22 60.794 61.414 -0.620 1
1 167 . 12 1 1 A 22 22 SER HA H 22 4.363 4.263 0.100 1
1 168 . 12 1 1 A 22 22 SER CB C 22 62.850 63.160 -0.310 1
1 170 . 12 1 1 A 22 22 SER C C 22 175.425 175.620 -0.195 1
1 172 . 12 1 1 A 23 23 LYS N N 23 119.671 116.776 2.895 1
1 173 . 12 1 1 A 23 23 LYS H H 23 7.366 7.456 -0.090 1
1 174 . 12 1 1 A 23 23 LYS CA C 23 54.818 56.045 -1.227 1
1 175 . 12 1 1 A 23 23 LYS HA H 23 4.368 4.328 0.040 1
1 176 . 12 1 1 A 23 23 LYS CB C 23 33.063 32.684 0.379 1
1 184 . 12 1 1 A 23 23 LYS C C 23 176.544 174.828 1.716 1
1 189 . 12 1 1 A 24 24 VAL N N 24 123.377 120.168 3.209 1
1 190 . 12 1 1 A 24 24 VAL H H 24 7.392 7.632 -0.240 1
1 191 . 12 1 1 A 24 24 VAL CA C 24 62.722 61.366 1.356 1
1 192 . 12 1 1 A 24 24 VAL HA H 24 4.184 4.628 -0.444 1
1 193 . 12 1 1 A 24 24 VAL CB C 24 31.780 33.840 -2.060 1
1 203 . 12 1 1 A 24 24 VAL C C 24 175.644 175.348 0.296 1
1 204 . 12 1 1 A 25 25 THR N N 25 117.441 117.814 -0.373 1
1 205 . 12 1 1 A 25 25 THR H H 25 8.384 8.921 -0.537 1
1 206 . 12 1 1 A 25 25 THR CA C 25 59.858 59.647 0.211 1
1 207 . 12 1 1 A 25 25 THR HA H 25 4.784 5.228 -0.444 1
1 208 . 12 1 1 A 25 25 THR CB C 25 71.687 72.368 -0.681 1
1 214 . 12 1 1 A 25 25 THR C C 25 172.360 173.283 -0.923 1
1 215 . 12 1 1 A 26 26 ALA N N 26 123.956 123.889 0.067 1
1 216 . 12 1 1 A 26 26 ALA H H 26 8.440 8.706 -0.266 1
1 217 . 12 1 1 A 26 26 ALA CA C 26 51.022 50.790 0.232 1
1 218 . 12 1 1 A 26 26 ALA HA H 26 5.575 5.298 0.277 1
1 219 . 12 1 1 A 26 26 ALA CB C 26 22.576 23.088 -0.512 1
1 223 . 12 1 1 A 26 26 ALA C C 26 176.301 175.285 1.016 1
1 224 . 12 1 1 A 27 27 SER N N 27 114.430 115.479 -1.049 1
1 225 . 12 1 1 A 27 27 SER H H 27 9.021 8.453 0.568 1
1 226 . 12 1 1 A 27 27 SER CA C 27 57.771 57.173 0.598 1
1 227 . 12 1 1 A 27 27 SER HA H 27 4.745 5.399 -0.654 1
1 228 . 12 1 1 A 27 27 SER CB C 27 65.911 67.359 -1.448 1
1 230 . 12 1 1 A 27 27 SER C C 27 172.798 173.093 -0.295 1
1 232 . 12 1 1 A 28 28 GLY N N 28 108.618 110.102 -1.484 1
1 233 . 12 1 1 A 28 28 GLY H H 28 8.516 8.392 0.124 1
1 234 . 12 1 1 A 28 28 GLY CA C 28 44.966 44.504 0.462 1
1 235 . 12 1 1 A 28 28 GLY HA3 H 28 4.102 4.277 -0.175 1
1 236 . 12 1 1 A 28 28 GLY C C 28 173.392 174.140 -0.748 1
1 237 . 12 1 1 A 28 28 GLY HA2 H 28 5.026 4.228 0.798 1
1 238 . 12 1 1 A 29 29 PRO CA C 29 65.446 65.000 0.446 1
1 239 . 12 1 1 A 29 29 PRO HA H 29 4.399 4.416 -0.017 1
1 240 . 12 1 1 A 29 29 PRO CB C 29 31.739 32.058 -0.319 1
1 246 . 12 1 1 A 29 29 PRO C C 29 179.804 178.803 1.001 1
1 250 . 12 1 1 A 30 30 GLY N N 30 103.199 105.735 -2.536 1
1 251 . 12 1 1 A 30 30 GLY H H 30 9.156 8.498 0.658 1
1 252 . 12 1 1 A 30 30 GLY CA C 30 46.458 46.898 -0.440 1
1 253 . 12 1 1 A 30 30 GLY HA3 H 30 3.331 4.404 -1.073 1
1 254 . 12 1 1 A 30 30 GLY C C 30 171.694 174.641 -2.947 1
1 255 . 12 1 1 A 30 30 GLY HA2 H 30 4.062 4.230 -0.168 1
1 256 . 12 1 1 A 31 31 LEU N N 31 116.112 119.582 -3.470 1
1 257 . 12 1 1 A 31 31 LEU H H 31 7.351 7.768 -0.417 1
1 258 . 12 1 1 A 31 31 LEU CA C 31 52.607 54.150 -1.543 1
1 259 . 12 1 1 A 31 31 LEU HA H 31 4.269 4.491 -0.222 1
1 260 . 12 1 1 A 31 31 LEU CB C 31 41.265 42.076 -0.811 1
1 272 . 12 1 1 A 31 31 LEU C C 31 176.751 176.226 0.525 1
1 274 . 12 1 1 A 32 32 SER N N 32 114.056 117.899 -3.843 1
1 275 . 12 1 1 A 32 32 SER H H 32 6.986 7.577 -0.591 1
1 276 . 12 1 1 A 32 32 SER CA C 32 58.750 58.180 0.570 1
1 277 . 12 1 1 A 32 32 SER HA H 32 4.268 4.394 -0.126 1
1 278 . 12 1 1 A 32 32 SER CB C 32 64.571 64.084 0.487 1
1 280 . 12 1 1 A 32 32 SER C C 32 176.483 175.477 1.006 1
1 282 . 12 1 1 A 33 33 SER N N 33 123.249 123.545 -0.296 1
1 283 . 12 1 1 A 33 33 SER H H 33 8.887 9.015 -0.128 1
1 284 . 12 1 1 A 33 33 SER CA C 33 60.176 61.465 -1.289 1
1 285 . 12 1 1 A 33 33 SER HA H 33 4.409 4.098 0.311 1
1 286 . 12 1 1 A 33 33 SER CB C 33 63.098 62.412 0.686 1
1 288 . 12 1 1 A 33 33 SER C C 33 174.922 176.438 -1.516 1
1 290 . 12 1 1 A 34 34 TYR N N 34 120.641 122.418 -1.777 1
1 291 . 12 1 1 A 34 34 TYR H H 34 8.225 8.147 0.078 1
1 292 . 12 1 1 A 34 34 TYR CA C 34 58.266 61.109 -2.843 1
1 293 . 12 1 1 A 34 34 TYR HA H 34 4.622 4.349 0.273 1
1 294 . 12 1 1 A 34 34 TYR CB C 34 38.478 39.403 -0.925 1
1 304 . 12 1 1 A 34 34 TYR C C 34 175.881 176.084 -0.203 1
1 306 . 12 1 1 A 35 35 GLY N N 35 109.142 106.603 2.539 1
1 307 . 12 1 1 A 35 35 GLY H H 35 7.416 7.280 0.136 1
1 308 . 12 1 1 A 35 35 GLY CA C 35 44.524 44.472 0.052 1
1 309 . 12 1 1 A 35 35 GLY HA3 H 35 4.411 4.112 0.299 1
1 310 . 12 1 1 A 35 35 GLY C C 35 172.956 172.379 0.577 1
1 311 . 12 1 1 A 35 35 GLY HA2 H 35 4.324 4.106 0.218 1
1 312 . 12 1 1 A 36 36 VAL N N 36 116.841 116.126 0.715 1
1 313 . 12 1 1 A 36 36 VAL H H 36 8.617 8.778 -0.161 1
1 314 . 12 1 1 A 36 36 VAL CA C 36 57.700 58.078 -0.378 1
1 315 . 12 1 1 A 36 36 VAL HA H 36 4.880 4.972 -0.092 1
1 316 . 12 1 1 A 36 36 VAL CB C 36 33.474 33.901 -0.427 1
1 326 . 12 1 1 A 36 36 VAL C C 36 173.489 173.559 -0.070 1
1 327 . 12 1 1 A 37 37 PRO CA C 37 62.200 62.405 -0.205 1
1 328 . 12 1 1 A 37 37 PRO HA H 37 4.646 4.706 -0.060 1
1 329 . 12 1 1 A 37 37 PRO CB C 37 31.876 31.867 0.009 1
1 335 . 12 1 1 A 37 37 PRO C C 37 177.148 176.940 0.208 1
1 339 . 12 1 1 A 38 38 ALA N N 38 124.330 124.966 -0.636 1
1 340 . 12 1 1 A 38 38 ALA H H 38 8.591 7.900 0.691 1
1 341 . 12 1 1 A 38 38 ALA CA C 38 52.606 52.369 0.237 1
1 342 . 12 1 1 A 38 38 ALA HA H 38 4.189 4.273 -0.084 1
1 343 . 12 1 1 A 38 38 ALA CB C 38 18.928 19.979 -1.051 1
1 347 . 12 1 1 A 38 38 ALA C C 38 178.418 177.807 0.611 1
1 348 . 12 1 1 A 39 39 SER N N 39 109.435 111.491 -2.056 1
1 349 . 12 1 1 A 39 39 SER H H 39 8.687 9.080 -0.393 1
1 350 . 12 1 1 A 39 39 SER CA C 39 61.147 58.994 2.153 1
1 351 . 12 1 1 A 39 39 SER HA H 39 3.770 3.955 -0.185 1
1 352 . 12 1 1 A 39 39 SER CB C 39 62.322 61.957 0.365 1
1 354 . 12 1 1 A 39 39 SER C C 39 172.372 172.774 -0.402 1
1 356 . 12 1 1 A 40 40 LEU N N 40 121.668 120.362 1.306 1
1 357 . 12 1 1 A 40 40 LEU H H 40 6.981 7.737 -0.756 1
1 358 . 12 1 1 A 40 40 LEU CA C 40 51.707 51.099 0.608 1
1 359 . 12 1 1 A 40 40 LEU HA H 40 4.890 4.777 0.113 1
1 360 . 12 1 1 A 40 40 LEU CB C 40 43.441 45.635 -2.194 1
1 372 . 12 1 1 A 40 40 LEU C C 40 173.635 174.106 -0.471 1
1 374 . 12 1 1 A 41 41 PRO CA C 41 62.683 62.376 0.307 1
1 375 . 12 1 1 A 41 41 PRO HA H 41 4.490 4.599 -0.109 1
1 376 . 12 1 1 A 41 41 PRO CB C 41 31.415 30.656 0.759 1
1 382 . 12 1 1 A 41 41 PRO C C 41 175.540 175.206 0.334 1
1 386 . 12 1 1 A 42 42 VAL N N 42 124.505 122.525 1.980 1
1 387 . 12 1 1 A 42 42 VAL H H 42 8.917 7.689 1.228 1
1 388 . 12 1 1 A 42 42 VAL CA C 42 60.282 59.684 0.598 1
1 389 . 12 1 1 A 42 42 VAL HA H 42 4.408 4.661 -0.253 1
1 390 . 12 1 1 A 42 42 VAL CB C 42 34.522 34.766 -0.244 1
1 400 . 12 1 1 A 42 42 VAL C C 42 171.180 174.196 -3.016 1
1 401 . 12 1 1 A 43 43 ASP N N 43 121.538 125.110 -3.572 1
1 402 . 12 1 1 A 43 43 ASP H H 43 7.549 9.058 -1.509 1
1 403 . 12 1 1 A 43 43 ASP CA C 43 51.968 52.279 -0.311 1
1 404 . 12 1 1 A 43 43 ASP HA H 43 6.324 5.733 0.591 1
1 405 . 12 1 1 A 43 43 ASP CB C 43 44.949 44.566 0.383 1
1 407 . 12 1 1 A 43 43 ASP C C 43 177.711 174.706 3.005 1
1 409 . 12 1 1 A 44 44 PHE N N 44 112.517 117.285 -4.768 1
1 410 . 12 1 1 A 44 44 PHE H H 44 9.044 7.708 1.336 1
1 411 . 12 1 1 A 44 44 PHE CA C 44 57.658 54.938 2.720 1
1 412 . 12 1 1 A 44 44 PHE HA H 44 5.069 5.517 -0.448 1
1 413 . 12 1 1 A 44 44 PHE CB C 44 41.220 41.985 -0.765 1
1 425 . 12 1 1 A 44 44 PHE C C 44 171.679 173.460 -1.781 1
1 427 . 12 1 1 A 45 45 ALA N N 45 123.935 121.205 2.730 1
1 428 . 12 1 1 A 45 45 ALA H H 45 9.468 8.860 0.608 1
1 429 . 12 1 1 A 45 45 ALA CA C 45 50.855 50.459 0.396 1
1 430 . 12 1 1 A 45 45 ALA HA H 45 5.379 5.308 0.071 1
1 431 . 12 1 1 A 45 45 ALA CB C 45 22.496 22.182 0.314 1
1 435 . 12 1 1 A 45 45 ALA C C 45 176.715 175.815 0.900 1
1 436 . 12 1 1 A 46 46 ILE N N 46 119.530 123.414 -3.884 1
1 437 . 12 1 1 A 46 46 ILE H H 46 8.686 9.215 -0.529 1
1 438 . 12 1 1 A 46 46 ILE CA C 46 59.561 60.494 -0.933 1
1 439 . 12 1 1 A 46 46 ILE HA H 46 4.863 4.797 0.066 1
1 440 . 12 1 1 A 46 46 ILE CB C 46 41.370 39.417 1.953 1
1 452 . 12 1 1 A 46 46 ILE C C 46 174.379 173.706 0.673 1
1 454 . 12 1 1 A 47 47 ASP N N 47 127.143 129.097 -1.954 1
1 455 . 12 1 1 A 47 47 ASP H H 47 9.281 8.623 0.658 1
1 456 . 12 1 1 A 47 47 ASP CA C 47 53.297 52.425 0.872 1
1 457 . 12 1 1 A 47 47 ASP HA H 47 4.976 5.277 -0.301 1
1 458 . 12 1 1 A 47 47 ASP CB C 47 41.371 43.690 -2.319 1
1 460 . 12 1 1 A 47 47 ASP C C 47 174.962 174.521 0.441 1
1 462 . 12 1 1 A 48 48 ALA N N 48 129.371 129.170 0.201 1
1 463 . 12 1 1 A 48 48 ALA H H 48 9.078 8.812 0.266 1
1 464 . 12 1 1 A 48 48 ALA CA C 48 50.554 50.774 -0.220 1
1 465 . 12 1 1 A 48 48 ALA HA H 48 4.641 4.940 -0.299 1
1 466 . 12 1 1 A 48 48 ALA CB C 48 19.699 20.483 -0.784 1
1 470 . 12 1 1 A 48 48 ALA C C 48 179.317 176.628 2.689 1
1 471 . 12 1 1 A 49 49 ARG N N 49 122.060 124.593 -2.533 1
1 472 . 12 1 1 A 49 49 ARG H H 49 8.590 8.983 -0.393 1
1 473 . 12 1 1 A 49 49 ARG CA C 49 60.964 57.618 3.346 1
1 474 . 12 1 1 A 49 49 ARG HA H 49 3.987 4.487 -0.500 1
1 475 . 12 1 1 A 49 49 ARG CB C 49 30.654 31.275 -0.621 1
1 483 . 12 1 1 A 49 49 ARG C C 49 178.077 176.386 1.691 1
1 487 . 12 1 1 A 50 50 ASP N N 50 116.664 117.131 -0.467 1
1 488 . 12 1 1 A 50 50 ASP H H 50 8.794 7.897 0.897 1
1 489 . 12 1 1 A 50 50 ASP CA C 50 53.827 53.143 0.684 1
1 490 . 12 1 1 A 50 50 ASP HA H 50 5.040 4.850 0.190 1
1 491 . 12 1 1 A 50 50 ASP CB C 50 41.595 41.440 0.155 1
1 493 . 12 1 1 A 50 50 ASP C C 50 175.754 177.062 -1.308 1
1 495 . 12 1 1 A 51 51 ALA N N 51 121.173 122.916 -1.743 1
1 496 . 12 1 1 A 51 51 ALA H H 51 7.406 7.891 -0.485 1
1 497 . 12 1 1 A 51 51 ALA CA C 51 52.147 51.717 0.430 1
1 498 . 12 1 1 A 51 51 ALA HA H 51 4.414 4.445 -0.031 1
1 499 . 12 1 1 A 51 51 ALA CB C 51 23.427 18.846 4.581 1
1 503 . 12 1 1 A 51 51 ALA C C 51 176.763 177.777 -1.014 1
1 504 . 12 1 1 A 52 52 GLY N N 52 108.187 107.430 0.757 1
1 505 . 12 1 1 A 52 52 GLY H H 52 8.521 8.151 0.370 1
1 506 . 12 1 1 A 52 52 GLY CA C 52 45.210 46.315 -1.105 1
1 507 . 12 1 1 A 52 52 GLY HA3 H 52 3.859 4.018 -0.159 1
1 508 . 12 1 1 A 52 52 GLY C C 52 175.060 173.532 1.528 1
1 509 . 12 1 1 A 52 52 GLY HA2 H 52 4.492 3.964 0.528 1
1 510 . 12 1 1 A 53 53 GLU N N 53 124.810 123.180 1.630 1
1 511 . 12 1 1 A 53 53 GLU H H 53 8.643 8.686 -0.043 1
1 512 . 12 1 1 A 53 53 GLU CA C 53 56.352 55.498 0.854 1
1 513 . 12 1 1 A 53 53 GLU HA H 53 4.663 5.081 -0.418 1
1 514 . 12 1 1 A 53 53 GLU CB C 53 31.164 30.781 0.383 1
1 518 . 12 1 1 A 53 53 GLU C C 53 173.491 176.012 -2.521 1
1 521 . 12 1 1 A 54 54 GLY N N 54 111.417 112.832 -1.415 1
1 522 . 12 1 1 A 54 54 GLY H H 54 7.465 9.040 -1.575 1
1 523 . 12 1 1 A 54 54 GLY CA C 54 43.622 44.686 -1.064 1
1 524 . 12 1 1 A 54 54 GLY HA3 H 54 2.287 4.024 -1.737 1
1 525 . 12 1 1 A 54 54 GLY C C 54 170.013 171.208 -1.195 1
1 526 . 12 1 1 A 54 54 GLY HA2 H 54 3.819 3.625 0.194 1
1 527 . 12 1 1 A 55 55 LEU N N 55 117.446 122.720 -5.274 1
1 528 . 12 1 1 A 55 55 LEU H H 55 7.461 7.915 -0.454 1
1 529 . 12 1 1 A 55 55 LEU CA C 55 54.041 53.581 0.460 1
1 530 . 12 1 1 A 55 55 LEU HA H 55 4.293 4.549 -0.256 1
1 531 . 12 1 1 A 55 55 LEU CB C 55 42.832 43.509 -0.677 1
1 543 . 12 1 1 A 55 55 LEU C C 55 176.872 175.753 1.119 1
1 545 . 12 1 1 A 56 56 LEU N N 56 131.840 127.925 3.915 1
1 546 . 12 1 1 A 56 56 LEU H H 56 8.791 8.287 0.504 1
1 547 . 12 1 1 A 56 56 LEU CA C 56 53.807 54.709 -0.902 1
1 548 . 12 1 1 A 56 56 LEU HA H 56 5.053 4.608 0.445 1
1 549 . 12 1 1 A 56 56 LEU CB C 56 43.113 43.028 0.085 1
1 561 . 12 1 1 A 56 56 LEU C C 56 175.389 175.022 0.367 1
1 563 . 12 1 1 A 57 57 ALA N N 57 130.035 129.076 0.959 1
1 564 . 12 1 1 A 57 57 ALA H H 57 8.880 8.585 0.295 1
1 565 . 12 1 1 A 57 57 ALA CA C 57 51.758 50.766 0.992 1
1 566 . 12 1 1 A 57 57 ALA HA H 57 4.641 5.150 -0.509 1
1 567 . 12 1 1 A 57 57 ALA CB C 57 21.820 22.054 -0.234 1
1 571 . 12 1 1 A 57 57 ALA C C 57 174.647 175.612 -0.965 1
1 572 . 12 1 1 A 58 58 VAL N N 58 120.958 123.402 -2.444 1
1 573 . 12 1 1 A 58 58 VAL H H 58 8.443 8.772 -0.329 1
1 574 . 12 1 1 A 58 58 VAL CA C 58 60.495 61.418 -0.923 1
1 575 . 12 1 1 A 58 58 VAL HA H 58 4.988 4.785 0.203 1
1 576 . 12 1 1 A 58 58 VAL CB C 58 34.639 33.231 1.408 1
1 586 . 12 1 1 A 58 58 VAL C C 58 174.646 175.262 -0.616 1
1 587 . 12 1 1 A 59 59 GLN N N 59 127.048 126.158 0.890 1
1 588 . 12 1 1 A 59 59 GLN H H 59 9.196 8.950 0.246 1
1 589 . 12 1 1 A 59 59 GLN CA C 59 54.587 54.446 0.141 1
1 590 . 12 1 1 A 59 59 GLN HA H 59 4.706 5.052 -0.346 1
1 591 . 12 1 1 A 59 59 GLN CB C 59 31.580 30.872 0.708 1
1 598 . 12 1 1 A 59 59 GLN C C 59 174.197 174.898 -0.701 1
1 601 . 12 1 1 A 60 60 ILE N N 60 127.617 125.581 2.036 1
1 602 . 12 1 1 A 60 60 ILE H H 60 9.299 9.006 0.293 1
1 603 . 12 1 1 A 60 60 ILE CA C 60 60.506 60.073 0.433 1
1 604 . 12 1 1 A 60 60 ILE HA H 60 5.210 4.964 0.246 1
1 605 . 12 1 1 A 60 60 ILE CB C 60 39.172 39.972 -0.800 1
1 617 . 12 1 1 A 60 60 ILE C C 60 175.608 175.148 0.460 1
1 619 . 12 1 1 A 61 61 THR N N 61 119.733 117.497 2.236 1
1 620 . 12 1 1 A 61 61 THR H H 61 8.924 8.727 0.197 1
1 621 . 12 1 1 A 61 61 THR CA C 61 59.565 59.376 0.189 1
1 622 . 12 1 1 A 61 61 THR HA H 61 5.173 5.549 -0.376 1
1 623 . 12 1 1 A 61 61 THR CB C 61 72.121 72.379 -0.258 1
1 629 . 12 1 1 A 61 61 THR C C 61 174.051 173.626 0.425 1
1 630 . 12 1 1 A 62 62 ASP N N 62 122.337 120.594 1.743 1
1 631 . 12 1 1 A 62 62 ASP H H 62 8.484 8.363 0.121 1
1 632 . 12 1 1 A 62 62 ASP CA C 62 52.200 51.465 0.735 1
1 633 . 12 1 1 A 62 62 ASP HA H 62 4.425 4.736 -0.311 1
1 634 . 12 1 1 A 62 62 ASP CB C 62 42.222 42.394 -0.172 1
1 636 . 12 1 1 A 62 62 ASP C C 62 179.086 177.980 1.106 1
1 638 . 12 1 1 A 63 63 GLN N N 63 118.341 117.656 0.685 1
1 639 . 12 1 1 A 63 63 GLN H H 63 8.250 8.803 -0.553 1
1 640 . 12 1 1 A 63 63 GLN CA C 63 58.406 58.455 -0.049 1
1 641 . 12 1 1 A 63 63 GLN HA H 63 4.049 4.052 -0.003 1
1 642 . 12 1 1 A 63 63 GLN CB C 63 28.127 28.081 0.046 1
1 649 . 12 1 1 A 63 63 GLN C C 63 177.152 178.220 -1.068 1
1 652 . 12 1 1 A 64 64 GLU N N 64 119.134 118.932 0.202 1
1 653 . 12 1 1 A 64 64 GLU H H 64 8.120 7.766 0.354 1
1 654 . 12 1 1 A 64 64 GLU CA C 64 55.790 57.170 -1.380 1
1 655 . 12 1 1 A 64 64 GLU HA H 64 4.423 4.340 0.083 1
1 656 . 12 1 1 A 64 64 GLU CB C 64 30.102 30.373 -0.271 1
1 660 . 12 1 1 A 64 64 GLU C C 64 176.374 176.684 -0.310 1
1 663 . 12 1 1 A 65 65 GLY N N 65 108.728 108.180 0.548 1
1 664 . 12 1 1 A 65 65 GLY H H 65 8.306 7.721 0.585 1
1 665 . 12 1 1 A 65 65 GLY CA C 65 45.285 45.890 -0.605 1
1 666 . 12 1 1 A 65 65 GLY HA3 H 65 3.561 3.959 -0.398 1
1 667 . 12 1 1 A 65 65 GLY C C 65 174.342 174.405 -0.063 1
1 668 . 12 1 1 A 65 65 GLY HA2 H 65 4.203 3.954 0.249 1
1 669 . 12 1 1 A 66 66 LYS N N 66 123.502 119.735 3.767 1
1 670 . 12 1 1 A 66 66 LYS H H 66 8.528 8.139 0.389 1
1 671 . 12 1 1 A 66 66 LYS CA C 66 53.738 53.185 0.553 1
1 672 . 12 1 1 A 66 66 LYS HA H 66 4.613 4.724 -0.111 1
1 673 . 12 1 1 A 66 66 LYS CB C 66 31.167 32.314 -1.147 1
1 681 . 12 1 1 A 66 66 LYS C C 66 174.752 174.266 0.486 1
1 686 . 12 1 1 A 67 67 PRO CA C 67 62.433 62.703 -0.270 1
1 687 . 12 1 1 A 67 67 PRO HA H 67 5.062 4.701 0.361 1
1 688 . 12 1 1 A 67 67 PRO CB C 67 32.725 32.104 0.621 1
1 694 . 12 1 1 A 67 67 PRO C C 67 177.270 176.161 1.109 1
1 698 . 12 1 1 A 68 68 LYS N N 68 121.461 121.523 -0.062 1
1 699 . 12 1 1 A 68 68 LYS H H 68 8.419 8.598 -0.179 1
1 700 . 12 1 1 A 68 68 LYS CA C 68 52.023 54.796 -2.773 1
1 701 . 12 1 1 A 68 68 LYS HA H 68 4.797 4.883 -0.086 1
1 702 . 12 1 1 A 68 68 LYS CB C 68 32.611 35.983 -3.372 1
1 710 . 12 1 1 A 68 68 LYS C C 68 175.389 175.931 -0.542 1
1 715 . 12 1 1 A 69 69 ARG N N 69 124.040 124.454 -0.414 1
1 716 . 12 1 1 A 69 69 ARG H H 69 8.683 8.602 0.081 1
1 717 . 12 1 1 A 69 69 ARG CA C 69 57.045 56.992 0.053 1
1 718 . 12 1 1 A 69 69 ARG HA H 69 4.221 4.328 -0.107 1
1 719 . 12 1 1 A 69 69 ARG CB C 69 30.712 30.687 0.025 1
1 725 . 12 1 1 A 69 69 ARG C C 69 174.877 175.397 -0.520 1
1 729 . 12 1 1 A 70 70 ALA N N 70 127.074 129.173 -2.099 1
1 730 . 12 1 1 A 70 70 ALA H H 70 8.421 8.729 -0.308 1
1 731 . 12 1 1 A 70 70 ALA CA C 70 50.360 50.356 0.004 1
1 732 . 12 1 1 A 70 70 ALA HA H 70 4.859 5.308 -0.449 1
1 733 . 12 1 1 A 70 70 ALA CB C 70 20.569 22.322 -1.753 1
1 737 . 12 1 1 A 70 70 ALA C C 70 176.313 175.857 0.456 1
1 738 . 12 1 1 A 71 71 ILE N N 71 124.496 121.631 2.865 1
1 739 . 12 1 1 A 71 71 ILE H H 71 8.943 9.042 -0.099 1
1 740 . 12 1 1 A 71 71 ILE CA C 71 60.870 60.103 0.767 1
1 741 . 12 1 1 A 71 71 ILE HA H 71 4.195 4.756 -0.561 1
1 742 . 12 1 1 A 71 71 ILE CB C 71 38.457 39.602 -1.145 1
1 754 . 12 1 1 A 71 71 ILE C C 71 175.027 175.390 -0.363 1
1 756 . 12 1 1 A 72 72 VAL N N 72 128.410 127.945 0.465 1
1 757 . 12 1 1 A 72 72 VAL H H 72 8.714 9.064 -0.350 1
1 758 . 12 1 1 A 72 72 VAL CA C 72 61.867 61.400 0.467 1
1 759 . 12 1 1 A 72 72 VAL HA H 72 4.478 4.461 0.017 1
1 760 . 12 1 1 A 72 72 VAL CB C 72 32.745 32.347 0.398 1
1 770 . 12 1 1 A 72 72 VAL C C 72 175.279 174.600 0.679 1
1 771 . 12 1 1 A 73 73 HIS N N 73 129.084 128.315 0.769 1
1 772 . 12 1 1 A 73 73 HIS H H 73 9.783 9.322 0.461 1
1 773 . 12 1 1 A 73 73 HIS CA C 73 55.366 55.114 0.252 1
1 774 . 12 1 1 A 73 73 HIS HA H 73 4.849 4.888 -0.039 1
1 775 . 12 1 1 A 73 73 HIS CB C 73 31.465 31.147 0.318 1
1 781 . 12 1 1 A 73 73 HIS C C 73 173.491 173.857 -0.366 1
1 783 . 12 1 1 A 74 74 ASP N N 74 127.118 125.181 1.937 1
1 784 . 12 1 1 A 74 74 ASP H H 74 8.541 8.292 0.249 1
1 785 . 12 1 1 A 74 74 ASP CA C 74 53.048 52.473 0.575 1
1 786 . 12 1 1 A 74 74 ASP HA H 74 4.476 5.294 -0.818 1
1 787 . 12 1 1 A 74 74 ASP CB C 74 41.554 42.203 -0.649 1
1 789 . 12 1 1 A 74 74 ASP C C 74 175.936 175.726 0.210 1
1 791 . 12 1 1 A 75 75 ASN N N 75 124.002 120.654 3.348 1
1 792 . 12 1 1 A 75 75 ASN H H 75 7.827 8.704 -0.877 1
1 793 . 12 1 1 A 75 75 ASN CA C 75 54.517 52.830 1.687 1
1 794 . 12 1 1 A 75 75 ASN HA H 75 4.572 4.758 -0.186 1
1 795 . 12 1 1 A 75 75 ASN CB C 75 38.091 39.733 -1.642 1
1 800 . 12 1 1 A 75 75 ASN C C 75 175.352 174.628 0.724 1
1 802 . 12 1 1 A 76 76 LYS N N 76 114.689 115.412 -0.723 1
1 803 . 12 1 1 A 76 76 LYS H H 76 9.246 7.689 1.557 1
1 804 . 12 1 1 A 76 76 LYS CA C 76 57.428 57.170 0.258 1
1 805 . 12 1 1 A 76 76 LYS HA H 76 3.882 3.857 0.025 1
1 806 . 12 1 1 A 76 76 LYS CB C 76 28.223 29.053 -0.830 1
1 814 . 12 1 1 A 76 76 LYS C C 76 174.975 174.696 0.279 1
1 819 . 12 1 1 A 77 77 ASP N N 77 117.462 118.699 -1.237 1
1 820 . 12 1 1 A 77 77 ASP H H 77 7.831 7.853 -0.022 1
1 821 . 12 1 1 A 77 77 ASP CA C 77 52.168 52.956 -0.788 1
1 822 . 12 1 1 A 77 77 ASP HA H 77 4.706 4.835 -0.129 1
1 823 . 12 1 1 A 77 77 ASP CB C 77 41.224 41.124 0.100 1
1 825 . 12 1 1 A 77 77 ASP C C 77 176.739 176.131 0.608 1
1 827 . 12 1 1 A 78 78 GLY N N 78 109.485 107.592 1.893 1
1 828 . 12 1 1 A 78 78 GLY H H 78 8.658 7.984 0.674 1
1 829 . 12 1 1 A 78 78 GLY CA C 78 45.568 45.164 0.404 1
1 830 . 12 1 1 A 78 78 GLY HA3 H 78 3.698 3.917 -0.219 1
1 831 . 12 1 1 A 78 78 GLY C C 78 172.263 173.915 -1.652 1
1 832 . 12 1 1 A 78 78 GLY HA2 H 78 4.323 3.917 0.406 1
1 833 . 12 1 1 A 79 79 THR N N 79 109.462 112.156 -2.694 1
1 834 . 12 1 1 A 79 79 THR H H 79 8.057 7.575 0.482 1
1 835 . 12 1 1 A 79 79 THR CA C 79 59.989 61.135 -1.146 1
1 836 . 12 1 1 A 79 79 THR HA H 79 5.566 4.833 0.733 1
1 837 . 12 1 1 A 79 79 THR CB C 79 72.712 71.084 1.628 1
1 843 . 12 1 1 A 79 79 THR C C 79 173.868 172.838 1.030 1
1 844 . 12 1 1 A 80 80 TYR N N 80 116.428 119.714 -3.286 1
1 845 . 12 1 1 A 80 80 TYR H H 80 9.085 8.413 0.672 1
1 846 . 12 1 1 A 80 80 TYR CA C 80 56.533 56.497 0.036 1
1 847 . 12 1 1 A 80 80 TYR HA H 80 5.372 5.038 0.334 1
1 848 . 12 1 1 A 80 80 TYR CB C 80 42.831 42.862 -0.031 1
1 858 . 12 1 1 A 80 80 TYR C C 80 175.327 174.605 0.722 1
1 860 . 12 1 1 A 81 81 ALA N N 81 126.743 126.295 0.448 1
1 861 . 12 1 1 A 81 81 ALA H H 81 9.302 8.561 0.741 1
1 862 . 12 1 1 A 81 81 ALA CA C 81 51.121 49.922 1.199 1
1 863 . 12 1 1 A 81 81 ALA HA H 81 5.149 5.571 -0.422 1
1 864 . 12 1 1 A 81 81 ALA CB C 81 22.111 23.021 -0.910 1
1 868 . 12 1 1 A 81 81 ALA C C 81 175.505 175.876 -0.371 1
1 869 . 12 1 1 A 82 82 VAL N N 82 124.472 120.973 3.499 1
1 870 . 12 1 1 A 82 82 VAL H H 82 8.940 7.862 1.078 1
1 871 . 12 1 1 A 82 82 VAL CA C 82 60.264 60.971 -0.707 1
1 872 . 12 1 1 A 82 82 VAL HA H 82 5.039 4.654 0.385 1
1 873 . 12 1 1 A 82 82 VAL CB C 82 33.236 34.530 -1.294 1
1 883 . 12 1 1 A 82 82 VAL C C 82 174.517 174.291 0.226 1
1 884 . 12 1 1 A 83 83 THR N N 83 121.500 122.618 -1.118 1
1 885 . 12 1 1 A 83 83 THR H H 83 8.717 8.550 0.167 1
1 886 . 12 1 1 A 83 83 THR CA C 83 61.075 62.022 -0.947 1
1 887 . 12 1 1 A 83 83 THR HA H 83 5.497 5.362 0.135 1
1 888 . 12 1 1 A 83 83 THR CB C 83 72.153 71.068 1.085 1
1 894 . 12 1 1 A 83 83 THR C C 83 173.515 173.669 -0.154 1
1 895 . 12 1 1 A 84 84 TYR N N 84 122.841 120.998 1.843 1
1 896 . 12 1 1 A 84 84 TYR H H 84 9.014 8.878 0.136 1
1 897 . 12 1 1 A 84 84 TYR CA C 84 55.985 55.915 0.070 1
1 898 . 12 1 1 A 84 84 TYR HA H 84 4.979 5.239 -0.260 1
1 899 . 12 1 1 A 84 84 TYR CB C 84 41.967 41.409 0.558 1
1 909 . 12 1 1 A 84 84 TYR C C 84 171.873 172.623 -0.750 1
1 911 . 12 1 1 A 85 85 ILE N N 85 118.254 123.935 -5.681 1
1 912 . 12 1 1 A 85 85 ILE H H 85 8.805 8.824 -0.019 1
1 913 . 12 1 1 A 85 85 ILE CA C 85 57.883 58.105 -0.222 1
1 914 . 12 1 1 A 85 85 ILE HA H 85 4.550 4.567 -0.017 1
1 915 . 12 1 1 A 85 85 ILE CB C 85 40.179 38.492 1.687 1
1 927 . 12 1 1 A 85 85 ILE C C 85 174.339 174.832 -0.493 1
1 929 . 12 1 1 A 86 86 PRO CA C 86 61.414 62.275 -0.861 1
1 930 . 12 1 1 A 86 86 PRO HA H 86 4.436 4.689 -0.253 1
1 931 . 12 1 1 A 86 86 PRO CB C 86 30.107 30.352 -0.245 1
1 937 . 12 1 1 A 86 86 PRO C C 86 175.126 177.031 -1.905 1
1 941 . 12 1 1 A 87 87 ASP N N 87 123.447 125.709 -2.262 1
1 942 . 12 1 1 A 87 87 ASP H H 87 8.501 8.509 -0.008 1
1 943 . 12 1 1 A 87 87 ASP CA C 87 55.668 57.212 -1.544 1
1 944 . 12 1 1 A 87 87 ASP HA H 87 4.263 4.463 -0.200 1
1 945 . 12 1 1 A 87 87 ASP CB C 87 40.930 41.277 -0.347 1
1 947 . 12 1 1 A 87 87 ASP C C 87 175.182 176.745 -1.563 1
1 949 . 12 1 1 A 88 88 LYS N N 88 116.947 118.772 -1.825 1
1 950 . 12 1 1 A 88 88 LYS H H 88 7.683 7.963 -0.280 1
1 951 . 12 1 1 A 88 88 LYS CA C 88 54.995 56.477 -1.482 1
1 952 . 12 1 1 A 88 88 LYS HA H 88 4.588 4.450 0.138 1
1 953 . 12 1 1 A 88 88 LYS CB C 88 34.821 33.661 1.160 1
1 961 . 12 1 1 A 88 88 LYS C C 88 177.529 176.122 1.407 1
1 966 . 12 1 1 A 89 89 THR N N 89 114.134 112.394 1.740 1
1 967 . 12 1 1 A 89 89 THR H H 89 8.588 8.579 0.009 1
1 968 . 12 1 1 A 89 89 THR CA C 89 62.828 59.776 3.052 1
1 969 . 12 1 1 A 89 89 THR HA H 89 4.083 5.103 -1.020 1
1 970 . 12 1 1 A 89 89 THR CB C 89 69.590 71.498 -1.908 1
1 976 . 12 1 1 A 89 89 THR C C 89 174.269 173.291 0.978 1
1 977 . 12 1 1 A 90 90 GLY N N 90 109.440 107.948 1.492 1
1 978 . 12 1 1 A 90 90 GLY H H 90 8.444 8.254 0.190 1
1 979 . 12 1 1 A 90 90 GLY CA C 90 44.648 44.957 -0.309 1
1 980 . 12 1 1 A 90 90 GLY HA3 H 90 4.467 4.195 0.272 1
1 981 . 12 1 1 A 90 90 GLY C C 90 172.469 172.537 -0.068 1
1 982 . 12 1 1 A 90 90 GLY HA2 H 90 3.908 4.131 -0.223 1
1 983 . 12 1 1 A 91 91 ARG N N 91 120.781 121.056 -0.275 1
1 984 . 12 1 1 A 91 91 ARG H H 91 8.271 8.267 0.004 1
1 985 . 12 1 1 A 91 91 ARG CA C 91 56.178 55.194 0.984 1
1 986 . 12 1 1 A 91 91 ARG HA H 91 4.951 4.982 -0.031 1
1 987 . 12 1 1 A 91 91 ARG CB C 91 31.986 31.733 0.253 1
1 993 . 12 1 1 A 91 91 ARG C C 91 175.711 174.638 1.073 1
1 997 . 12 1 1 A 92 92 TYR N N 92 122.381 122.213 0.168 1
1 998 . 12 1 1 A 92 92 TYR H H 92 9.312 9.463 -0.151 1
1 999 . 12 1 1 A 92 92 TYR CA C 92 56.886 56.457 0.429 1
1 1000 . 12 1 1 A 92 92 TYR HA H 92 4.960 5.061 -0.101 1
1 1001 . 12 1 1 A 92 92 TYR CB C 92 41.223 41.125 0.098 1
1 1011 . 12 1 1 A 92 92 TYR C C 92 174.902 174.358 0.544 1
1 1013 . 12 1 1 A 93 93 MET N N 93 121.210 124.194 -2.984 1
1 1014 . 12 1 1 A 93 93 MET H H 93 8.819 8.585 0.234 1
1 1015 . 12 1 1 A 93 93 MET CA C 93 53.745 54.107 -0.362 1
1 1016 . 12 1 1 A 93 93 MET HA H 93 5.346 5.214 0.132 1
1 1017 . 12 1 1 A 93 93 MET CB C 93 34.220 35.138 -0.918 1
1 1025 . 12 1 1 A 93 93 MET C C 93 175.365 174.499 0.866 1
1 1028 . 12 1 1 A 94 94 ILE N N 94 125.747 127.098 -1.351 1
1 1029 . 12 1 1 A 94 94 ILE H H 94 9.372 8.935 0.437 1
1 1030 . 12 1 1 A 94 94 ILE CA C 94 60.685 59.739 0.946 1
1 1031 . 12 1 1 A 94 94 ILE HA H 94 4.606 5.186 -0.580 1
1 1032 . 12 1 1 A 94 94 ILE CB C 94 39.188 39.520 -0.332 1
1 1044 . 12 1 1 A 94 94 ILE C C 94 174.987 174.898 0.089 1
1 1046 . 12 1 1 A 95 95 GLY N N 95 116.553 115.440 1.113 1
1 1047 . 12 1 1 A 95 95 GLY H H 95 9.509 9.050 0.459 1
1 1048 . 12 1 1 A 95 95 GLY CA C 95 44.507 45.312 -0.805 1
1 1049 . 12 1 1 A 95 95 GLY HA3 H 95 3.605 4.159 -0.554 1
1 1050 . 12 1 1 A 95 95 GLY C C 95 173.175 172.720 0.455 1
1 1051 . 12 1 1 A 95 95 GLY HA2 H 95 4.606 4.131 0.475 1
1 1052 . 12 1 1 A 96 96 VAL N N 96 127.036 127.644 -0.608 1
1 1053 . 12 1 1 A 96 96 VAL H H 96 9.299 8.962 0.337 1
1 1054 . 12 1 1 A 96 96 VAL CA C 96 61.308 62.700 -1.392 1
1 1055 . 12 1 1 A 96 96 VAL HA H 96 4.889 4.618 0.271 1
1 1056 . 12 1 1 A 96 96 VAL CB C 96 34.145 32.698 1.447 1
1 1066 . 12 1 1 A 96 96 VAL C C 96 174.354 175.499 -1.145 1
1 1067 . 12 1 1 A 97 97 THR N N 97 115.219 117.533 -2.314 1
1 1068 . 12 1 1 A 97 97 THR H H 97 9.018 8.672 0.346 1
1 1069 . 12 1 1 A 97 97 THR CA C 97 57.826 59.830 -2.004 1
1 1070 . 12 1 1 A 97 97 THR HA H 97 5.265 5.266 -0.001 1
1 1071 . 12 1 1 A 97 97 THR CB C 97 72.753 72.049 0.704 1
1 1077 . 12 1 1 A 97 97 THR C C 97 173.175 172.640 0.535 1
1 1078 . 12 1 1 A 98 98 TYR N N 98 122.768 123.119 -0.351 1
1 1079 . 12 1 1 A 98 98 TYR H H 98 9.149 9.325 -0.176 1
1 1080 . 12 1 1 A 98 98 TYR CA C 98 57.488 57.227 0.261 1
1 1081 . 12 1 1 A 98 98 TYR HA H 98 5.077 4.960 0.117 1
1 1082 . 12 1 1 A 98 98 TYR CB C 98 43.122 41.571 1.551 1
1 1092 . 12 1 1 A 98 98 TYR C C 98 175.949 175.546 0.403 1
1 1094 . 12 1 1 A 99 99 GLY N N 99 113.994 115.198 -1.204 1
1 1095 . 12 1 1 A 99 99 GLY H H 99 8.402 8.698 -0.296 1
1 1096 . 12 1 1 A 99 99 GLY CA C 99 45.010 46.298 -1.288 1
1 1097 . 12 1 1 A 99 99 GLY HA3 H 99 2.623 3.322 -0.699 1
1 1098 . 12 1 1 A 99 99 GLY C C 99 174.197 175.178 -0.981 1
1 1099 . 12 1 1 A 99 99 GLY HA2 H 99 3.220 2.882 0.338 1
1 1100 . 12 1 1 A 100 100 GLY N N 100 103.115 106.273 -3.158 1
1 1101 . 12 1 1 A 100 100 GLY H H 100 8.288 8.569 -0.281 1
1 1102 . 12 1 1 A 100 100 GLY CA C 100 44.170 46.055 -1.885 1
1 1103 . 12 1 1 A 100 100 GLY HA3 H 100 4.265 3.860 0.405 1
1 1104 . 12 1 1 A 100 100 GLY C C 100 173.054 173.364 -0.310 1
1 1105 . 12 1 1 A 100 100 GLY HA2 H 100 3.284 3.857 -0.573 1
1 1106 . 12 1 1 A 101 101 ASP N N 101 120.566 119.651 0.915 1
1 1107 . 12 1 1 A 101 101 ASP H H 101 7.245 7.917 -0.672 1
1 1108 . 12 1 1 A 101 101 ASP CA C 101 52.908 53.229 -0.321 1
1 1109 . 12 1 1 A 101 101 ASP HA H 101 5.012 5.100 -0.088 1
1 1110 . 12 1 1 A 101 101 ASP CB C 101 42.831 44.085 -1.254 1
1 1112 . 12 1 1 A 101 101 ASP C C 101 175.182 175.234 -0.052 1
1 1114 . 12 1 1 A 102 102 ASP N N 102 122.668 125.434 -2.766 1
1 1115 . 12 1 1 A 102 102 ASP H H 102 8.597 8.969 -0.372 1
1 1116 . 12 1 1 A 102 102 ASP CA C 102 56.233 54.208 2.025 1
1 1117 . 12 1 1 A 102 102 ASP HA H 102 4.667 4.741 -0.074 1
1 1118 . 12 1 1 A 102 102 ASP CB C 102 42.373 41.220 1.153 1
1 1120 . 12 1 1 A 102 102 ASP C C 102 176.970 176.138 0.832 1
1 1122 . 12 1 1 A 103 103 ILE N N 103 117.672 117.935 -0.263 1
1 1123 . 12 1 1 A 103 103 ILE H H 103 7.887 8.435 -0.548 1
1 1124 . 12 1 1 A 103 103 ILE CA C 103 61.025 59.697 1.328 1
1 1125 . 12 1 1 A 103 103 ILE HA H 103 4.526 4.584 -0.058 1
1 1126 . 12 1 1 A 103 103 ILE CB C 103 35.534 37.601 -2.067 1
1 1138 . 12 1 1 A 103 103 ILE C C 103 173.902 176.578 -2.676 1
1 1140 . 12 1 1 A 104 104 PRO CA C 104 66.456 64.179 2.277 1
1 1141 . 12 1 1 A 104 104 PRO HA H 104 4.177 4.505 -0.328 1
1 1142 . 12 1 1 A 104 104 PRO CB C 104 31.709 31.563 0.146 1
1 1151 . 12 1 1 A 105 105 LEU N N 105 115.386 117.603 -2.217 1
1 1152 . 12 1 1 A 105 105 LEU H H 105 8.464 7.783 0.681 1
1 1153 . 12 1 1 A 105 105 LEU CA C 105 55.294 55.473 -0.179 1
1 1154 . 12 1 1 A 105 105 LEU HA H 105 3.845 4.301 -0.456 1
1 1155 . 12 1 1 A 105 105 LEU CB C 105 39.148 42.704 -3.556 1
1 1168 . 12 1 1 A 106 106 SER N N 106 111.669 113.288 -1.619 1
1 1169 . 12 1 1 A 106 106 SER H H 106 7.338 7.020 0.318 1
1 1170 . 12 1 1 A 106 106 SER CA C 106 54.750 56.592 -1.842 1
1 1171 . 12 1 1 A 106 106 SER HA H 106 4.347 4.209 0.138 1
1 1172 . 12 1 1 A 106 106 SER CB C 106 64.133 63.333 0.800 1
1 1175 . 12 1 1 A 107 107 PRO CA C 107 62.344 62.295 0.049 1
1 1176 . 12 1 1 A 107 107 PRO HA H 107 5.323 4.561 0.762 1
1 1177 . 12 1 1 A 107 107 PRO CB C 107 33.977 32.960 1.017 1
1 1183 . 12 1 1 A 107 107 PRO C C 107 176.003 174.716 1.287 1
1 1187 . 12 1 1 A 108 108 TYR N N 108 122.832 119.407 3.425 1
1 1188 . 12 1 1 A 108 108 TYR H H 108 9.294 8.231 1.063 1
1 1189 . 12 1 1 A 108 108 TYR CA C 108 57.629 56.715 0.914 1
1 1190 . 12 1 1 A 108 108 TYR HA H 108 4.428 4.945 -0.517 1
1 1191 . 12 1 1 A 108 108 TYR CB C 108 40.091 40.147 -0.056 1
1 1201 . 12 1 1 A 108 108 TYR C C 108 175.851 175.228 0.623 1
1 1203 . 12 1 1 A 109 109 ARG N N 109 122.941 125.160 -2.219 1
1 1204 . 12 1 1 A 109 109 ARG H H 109 8.746 8.942 -0.196 1
1 1205 . 12 1 1 A 109 109 ARG CA C 109 55.259 56.322 -1.063 1
1 1206 . 12 1 1 A 109 109 ARG HA H 109 5.189 4.810 0.379 1
1 1207 . 12 1 1 A 109 109 ARG CB C 109 30.879 30.886 -0.007 1
1 1213 . 12 1 1 A 109 109 ARG C C 109 175.522 175.746 -0.224 1
1 1217 . 12 1 1 A 110 110 ILE N N 110 125.109 124.697 0.412 1
1 1218 . 12 1 1 A 110 110 ILE H H 110 8.742 8.471 0.271 1
1 1219 . 12 1 1 A 110 110 ILE CA C 110 57.577 59.676 -2.099 1
1 1220 . 12 1 1 A 110 110 ILE HA H 110 4.758 4.905 -0.147 1
1 1221 . 12 1 1 A 110 110 ILE CB C 110 41.138 42.453 -1.315 1
1 1233 . 12 1 1 A 110 110 ILE C C 110 175.121 174.290 0.831 1
1 1235 . 12 1 1 A 111 111 ARG N N 111 125.357 126.364 -1.007 1
1 1236 . 12 1 1 A 111 111 ARG H H 111 8.776 8.965 -0.189 1
1 1237 . 12 1 1 A 111 111 ARG CA C 111 54.730 53.880 0.850 1
1 1238 . 12 1 1 A 111 111 ARG HA H 111 5.053 5.394 -0.341 1
1 1239 . 12 1 1 A 111 111 ARG CB C 111 32.685 33.919 -1.234 1
1 1245 . 12 1 1 A 111 111 ARG C C 111 174.163 174.693 -0.530 1
1 1249 . 12 1 1 A 112 112 ALA N N 112 127.119 126.400 0.719 1
1 1250 . 12 1 1 A 112 112 ALA H H 112 9.208 8.397 0.811 1
1 1251 . 12 1 1 A 112 112 ALA CA C 112 49.945 50.518 -0.573 1
1 1252 . 12 1 1 A 112 112 ALA HA H 112 5.851 5.361 0.490 1
1 1253 . 12 1 1 A 112 112 ALA CB C 112 21.329 20.470 0.859 1
1 1257 . 12 1 1 A 112 112 ALA C C 112 178.853 176.886 1.967 1
1 1258 . 12 1 1 A 113 113 THR N N 113 116.033 115.784 0.249 1
1 1259 . 12 1 1 A 113 113 THR H H 113 8.995 8.560 0.435 1
1 1260 . 12 1 1 A 113 113 THR CA C 113 60.312 61.835 -1.523 1
1 1261 . 12 1 1 A 113 113 THR HA H 113 4.695 4.479 0.216 1
1 1262 . 12 1 1 A 113 113 THR CB C 113 71.251 68.767 2.484 1
1 1268 . 12 1 1 A 113 113 THR C C 113 173.710 173.683 0.027 1
1 1269 . 12 1 1 A 114 114 GLN N N 114 122.122 127.105 -4.983 1
1 1270 . 12 1 1 A 114 114 GLN H H 114 8.753 8.818 -0.065 1
1 1271 . 12 1 1 A 114 114 GLN CA C 114 55.817 56.242 -0.425 1
1 1272 . 12 1 1 A 114 114 GLN HA H 114 4.570 4.589 -0.019 1
1 1273 . 12 1 1 A 114 114 GLN CB C 114 30.106 29.402 0.704 1
1 1280 . 12 1 1 A 114 114 GLN C C 114 176.106 174.921 1.185 1
1 1283 . 12 1 1 A 115 115 THR N N 115 117.345 120.303 -2.958 1
1 1284 . 12 1 1 A 115 115 THR H H 115 8.493 8.794 -0.301 1
1 1285 . 12 1 1 A 115 115 THR CA C 115 62.328 60.070 2.258 1
1 1286 . 12 1 1 A 115 115 THR HA H 115 4.351 4.780 -0.429 1
1 1287 . 12 1 1 A 115 115 THR CB C 115 69.874 71.398 -1.524 1
1 1293 . 12 1 1 A 115 115 THR C C 115 175.158 173.599 1.559 1
1 1294 . 12 1 1 A 116 116 GLY N N 116 111.927 113.423 -1.496 1
1 1295 . 12 1 1 A 116 116 GLY H H 116 8.559 8.421 0.138 1
1 1296 . 12 1 1 A 116 116 GLY CA C 116 45.315 44.742 0.573 1
1 1297 . 12 1 1 A 116 116 GLY HA3 H 116 3.934 4.117 -0.183 1
1 1298 . 12 1 1 A 116 116 GLY C C 116 173.820 172.810 1.010 1
1 1299 . 12 1 1 A 116 116 GLY HA2 H 116 4.030 4.117 -0.087 1
1 1300 . 12 1 1 A 117 117 ASP N N 117 120.643 124.475 -3.832 1
1 1301 . 12 1 1 A 117 117 ASP H H 117 8.208 8.575 -0.367 1
1 1302 . 12 1 1 A 117 117 ASP CA C 117 54.393 52.656 1.737 1
1 1303 . 12 1 1 A 117 117 ASP HA H 117 4.615 5.197 -0.582 1
1 1304 . 12 1 1 A 117 117 ASP CB C 117 41.388 42.882 -1.494 1
1 1306 . 12 1 1 A 117 117 ASP C C 117 175.973 175.760 0.213 1
1 1308 . 12 1 1 A 118 118 ALA N N 118 124.934 128.594 -3.660 1
1 1309 . 12 1 1 A 118 118 ALA H H 118 8.312 8.616 -0.304 1
1 1310 . 12 1 1 A 118 118 ALA CA C 118 52.447 52.809 -0.362 1
1 1311 . 12 1 1 A 118 118 ALA HA H 118 4.415 4.311 0.104 1
1 1312 . 12 1 1 A 118 118 ALA CB C 118 19.339 19.314 0.025 1
1 1316 . 12 1 1 A 118 118 ALA C C 118 176.848 176.889 -0.041 1
1 1 . 13 1 1 A 9 9 SER HA H 9 4.733 4.997 -0.264 1
1 2 . 13 1 1 A 10 10 PRO CA C 10 63.335 62.231 1.104 1
1 3 . 13 1 1 A 10 10 PRO HA H 10 4.399 4.662 -0.263 1
1 4 . 13 1 1 A 10 10 PRO CB C 10 31.938 33.124 -1.186 1
1 10 . 13 1 1 A 10 10 PRO C C 10 176.442 174.707 1.735 1
1 14 . 13 1 1 A 11 11 PHE N N 11 119.801 118.629 1.172 1
1 15 . 13 1 1 A 11 11 PHE H H 11 8.036 8.586 -0.550 1
1 16 . 13 1 1 A 11 11 PHE CA C 11 57.505 56.379 1.126 1
1 17 . 13 1 1 A 11 11 PHE HA H 11 4.606 5.382 -0.776 1
1 18 . 13 1 1 A 11 11 PHE CB C 11 39.592 44.406 -4.814 1
1 30 . 13 1 1 A 11 11 PHE C C 11 175.401 174.601 0.800 1
1 32 . 13 1 1 A 12 12 LYS N N 12 123.563 118.563 5.000 1
1 33 . 13 1 1 A 12 12 LYS H H 12 8.112 8.941 -0.829 1
1 34 . 13 1 1 A 12 12 LYS CA C 12 56.175 55.101 1.074 1
1 35 . 13 1 1 A 12 12 LYS HA H 12 4.322 4.915 -0.593 1
1 36 . 13 1 1 A 12 12 LYS CB C 12 33.352 34.715 -1.363 1
1 44 . 13 1 1 A 12 12 LYS C C 12 175.802 175.319 0.483 1
1 49 . 13 1 1 A 13 13 VAL N N 13 122.071 120.850 1.221 1
1 50 . 13 1 1 A 13 13 VAL H H 13 8.080 8.694 -0.614 1
1 51 . 13 1 1 A 13 13 VAL CA C 13 62.280 63.529 -1.249 1
1 52 . 13 1 1 A 13 13 VAL HA H 13 4.036 3.926 0.110 1
1 53 . 13 1 1 A 13 13 VAL CB C 13 32.895 31.540 1.355 1
1 63 . 13 1 1 A 13 13 VAL C C 13 175.814 176.000 -0.186 1
1 64 . 13 1 1 A 14 14 LYS N N 14 125.874 127.219 -1.345 1
1 65 . 13 1 1 A 14 14 LYS H H 14 8.392 8.534 -0.142 1
1 66 . 13 1 1 A 14 14 LYS CA C 14 56.250 54.804 1.446 1
1 67 . 13 1 1 A 14 14 LYS HA H 14 4.322 5.257 -0.935 1
1 68 . 13 1 1 A 14 14 LYS CB C 14 33.193 36.163 -2.970 1
1 73 . 13 1 1 A 14 14 LYS C C 14 175.973 175.779 0.194 1
1 75 . 13 1 1 A 15 15 VAL N N 15 123.129 117.641 5.488 1
1 76 . 13 1 1 A 15 15 VAL H H 15 8.204 8.877 -0.673 1
1 77 . 13 1 1 A 15 15 VAL CA C 15 62.033 58.636 3.397 1
1 78 . 13 1 1 A 15 15 VAL HA H 15 4.100 4.880 -0.780 1
1 79 . 13 1 1 A 15 15 VAL CB C 15 32.858 35.504 -2.646 1
1 89 . 13 1 1 A 15 15 VAL C C 15 175.717 174.945 0.772 1
1 90 . 13 1 1 A 16 16 LEU N N 16 127.971 119.796 8.175 1
1 91 . 13 1 1 A 16 16 LEU H H 16 8.378 8.189 0.189 1
1 92 . 13 1 1 A 16 16 LEU CA C 16 52.885 53.235 -0.350 1
1 93 . 13 1 1 A 16 16 LEU HA H 16 4.624 4.398 0.226 1
1 94 . 13 1 1 A 16 16 LEU CB C 16 41.706 41.822 -0.116 1
1 106 . 13 1 1 A 16 16 LEU C C 16 175.092 176.109 -1.017 1
1 108 . 13 1 1 A 17 17 PRO CA C 17 62.704 62.254 0.450 1
1 109 . 13 1 1 A 17 17 PRO HA H 17 4.556 4.607 -0.051 1
1 110 . 13 1 1 A 17 17 PRO CB C 17 32.293 32.523 -0.230 1
1 116 . 13 1 1 A 17 17 PRO C C 17 177.319 177.153 0.166 1
1 120 . 13 1 1 A 18 18 THR N N 18 112.726 114.548 -1.822 1
1 121 . 13 1 1 A 18 18 THR H H 18 8.497 8.611 -0.114 1
1 122 . 13 1 1 A 18 18 THR CA C 18 62.335 64.627 -2.292 1
1 123 . 13 1 1 A 18 18 THR HA H 18 4.352 4.198 0.154 1
1 124 . 13 1 1 A 18 18 THR CB C 18 69.700 69.109 0.591 1
1 130 . 13 1 1 A 18 18 THR C C 18 173.418 174.922 -1.504 1
1 131 . 13 1 1 A 19 19 TYR N N 19 118.883 120.142 -1.259 1
1 132 . 13 1 1 A 19 19 TYR H H 19 7.244 7.724 -0.480 1
1 133 . 13 1 1 A 19 19 TYR CA C 19 55.270 57.755 -2.485 1
1 134 . 13 1 1 A 19 19 TYR HA H 19 5.404 4.918 0.486 1
1 135 . 13 1 1 A 19 19 TYR CB C 19 40.974 39.871 1.103 1
1 145 . 13 1 1 A 19 19 TYR C C 19 174.318 174.840 -0.522 1
1 147 . 13 1 1 A 20 20 ASP N N 20 118.193 119.490 -1.297 1
1 148 . 13 1 1 A 20 20 ASP H H 20 8.686 9.522 -0.836 1
1 149 . 13 1 1 A 20 20 ASP CA C 20 53.226 53.429 -0.203 1
1 150 . 13 1 1 A 20 20 ASP HA H 20 4.539 5.140 -0.601 1
1 151 . 13 1 1 A 20 20 ASP CB C 20 41.490 43.614 -2.124 1
1 153 . 13 1 1 A 20 20 ASP C C 20 176.349 176.163 0.186 1
1 155 . 13 1 1 A 21 21 ALA N N 21 127.255 128.764 -1.509 1
1 156 . 13 1 1 A 21 21 ALA H H 21 9.404 9.204 0.200 1
1 157 . 13 1 1 A 21 21 ALA CA C 21 55.157 55.849 -0.692 1
1 158 . 13 1 1 A 21 21 ALA HA H 21 4.204 4.218 -0.014 1
1 159 . 13 1 1 A 21 21 ALA CB C 21 19.890 18.361 1.529 1
1 163 . 13 1 1 A 21 21 ALA C C 21 178.113 179.762 -1.649 1
1 164 . 13 1 1 A 22 22 SER N N 22 110.959 114.031 -3.072 1
1 165 . 13 1 1 A 22 22 SER H H 22 8.397 8.049 0.348 1
1 166 . 13 1 1 A 22 22 SER CA C 22 60.794 61.505 -0.711 1
1 167 . 13 1 1 A 22 22 SER HA H 22 4.363 4.252 0.111 1
1 168 . 13 1 1 A 22 22 SER CB C 22 62.850 63.182 -0.332 1
1 170 . 13 1 1 A 22 22 SER C C 22 175.425 175.609 -0.184 1
1 172 . 13 1 1 A 23 23 LYS N N 23 119.671 116.610 3.061 1
1 173 . 13 1 1 A 23 23 LYS H H 23 7.366 7.342 0.024 1
1 174 . 13 1 1 A 23 23 LYS CA C 23 54.818 55.985 -1.167 1
1 175 . 13 1 1 A 23 23 LYS HA H 23 4.368 4.359 0.009 1
1 176 . 13 1 1 A 23 23 LYS CB C 23 33.063 32.638 0.425 1
1 184 . 13 1 1 A 23 23 LYS C C 23 176.544 174.878 1.666 1
1 189 . 13 1 1 A 24 24 VAL N N 24 123.377 120.287 3.090 1
1 190 . 13 1 1 A 24 24 VAL H H 24 7.392 7.551 -0.159 1
1 191 . 13 1 1 A 24 24 VAL CA C 24 62.722 61.367 1.355 1
1 192 . 13 1 1 A 24 24 VAL HA H 24 4.184 4.488 -0.304 1
1 193 . 13 1 1 A 24 24 VAL CB C 24 31.780 33.541 -1.761 1
1 203 . 13 1 1 A 24 24 VAL C C 24 175.644 175.409 0.235 1
1 204 . 13 1 1 A 25 25 THR N N 25 117.441 117.366 0.075 1
1 205 . 13 1 1 A 25 25 THR H H 25 8.384 8.945 -0.561 1
1 206 . 13 1 1 A 25 25 THR CA C 25 59.858 59.433 0.425 1
1 207 . 13 1 1 A 25 25 THR HA H 25 4.784 5.262 -0.478 1
1 208 . 13 1 1 A 25 25 THR CB C 25 71.687 72.382 -0.695 1
1 214 . 13 1 1 A 25 25 THR C C 25 172.360 173.235 -0.875 1
1 215 . 13 1 1 A 26 26 ALA N N 26 123.956 123.655 0.301 1
1 216 . 13 1 1 A 26 26 ALA H H 26 8.440 8.729 -0.289 1
1 217 . 13 1 1 A 26 26 ALA CA C 26 51.022 50.986 0.036 1
1 218 . 13 1 1 A 26 26 ALA HA H 26 5.575 5.368 0.207 1
1 219 . 13 1 1 A 26 26 ALA CB C 26 22.576 23.598 -1.022 1
1 223 . 13 1 1 A 26 26 ALA C C 26 176.301 175.312 0.989 1
1 224 . 13 1 1 A 27 27 SER N N 27 114.430 114.600 -0.170 1
1 225 . 13 1 1 A 27 27 SER H H 27 9.021 8.592 0.429 1
1 226 . 13 1 1 A 27 27 SER CA C 27 57.771 57.364 0.407 1
1 227 . 13 1 1 A 27 27 SER HA H 27 4.745 5.355 -0.610 1
1 228 . 13 1 1 A 27 27 SER CB C 27 65.911 67.455 -1.544 1
1 230 . 13 1 1 A 27 27 SER C C 27 172.798 173.133 -0.335 1
1 232 . 13 1 1 A 28 28 GLY N N 28 108.618 110.059 -1.441 1
1 233 . 13 1 1 A 28 28 GLY H H 28 8.516 8.450 0.066 1
1 234 . 13 1 1 A 28 28 GLY CA C 28 44.966 44.599 0.367 1
1 235 . 13 1 1 A 28 28 GLY HA3 H 28 4.102 4.297 -0.195 1
1 236 . 13 1 1 A 28 28 GLY C C 28 173.392 174.185 -0.793 1
1 237 . 13 1 1 A 28 28 GLY HA2 H 28 5.026 4.254 0.772 1
1 238 . 13 1 1 A 29 29 PRO CA C 29 65.446 65.070 0.376 1
1 239 . 13 1 1 A 29 29 PRO HA H 29 4.399 4.469 -0.070 1
1 240 . 13 1 1 A 29 29 PRO CB C 29 31.739 32.100 -0.361 1
1 246 . 13 1 1 A 29 29 PRO C C 29 179.804 178.558 1.246 1
1 250 . 13 1 1 A 30 30 GLY N N 30 103.199 106.077 -2.878 1
1 251 . 13 1 1 A 30 30 GLY H H 30 9.156 8.577 0.579 1
1 252 . 13 1 1 A 30 30 GLY CA C 30 46.458 47.219 -0.761 1
1 253 . 13 1 1 A 30 30 GLY HA3 H 30 3.331 4.391 -1.060 1
1 254 . 13 1 1 A 30 30 GLY C C 30 171.694 174.920 -3.226 1
1 255 . 13 1 1 A 30 30 GLY HA2 H 30 4.062 4.243 -0.181 1
1 256 . 13 1 1 A 31 31 LEU N N 31 116.112 119.454 -3.342 1
1 257 . 13 1 1 A 31 31 LEU H H 31 7.351 7.768 -0.417 1
1 258 . 13 1 1 A 31 31 LEU CA C 31 52.607 54.140 -1.533 1
1 259 . 13 1 1 A 31 31 LEU HA H 31 4.269 4.564 -0.295 1
1 260 . 13 1 1 A 31 31 LEU CB C 31 41.265 41.614 -0.349 1
1 272 . 13 1 1 A 31 31 LEU C C 31 176.751 176.292 0.459 1
1 274 . 13 1 1 A 32 32 SER N N 32 114.056 117.799 -3.743 1
1 275 . 13 1 1 A 32 32 SER H H 32 6.986 7.931 -0.945 1
1 276 . 13 1 1 A 32 32 SER CA C 32 58.750 58.422 0.328 1
1 277 . 13 1 1 A 32 32 SER HA H 32 4.268 4.393 -0.125 1
1 278 . 13 1 1 A 32 32 SER CB C 32 64.571 64.284 0.287 1
1 280 . 13 1 1 A 32 32 SER C C 32 176.483 175.023 1.460 1
1 282 . 13 1 1 A 33 33 SER N N 33 123.249 123.020 0.229 1
1 283 . 13 1 1 A 33 33 SER H H 33 8.887 8.850 0.037 1
1 284 . 13 1 1 A 33 33 SER CA C 33 60.176 61.040 -0.864 1
1 285 . 13 1 1 A 33 33 SER HA H 33 4.409 4.146 0.263 1
1 286 . 13 1 1 A 33 33 SER CB C 33 63.098 62.760 0.338 1
1 288 . 13 1 1 A 33 33 SER C C 33 174.922 176.464 -1.542 1
1 290 . 13 1 1 A 34 34 TYR N N 34 120.641 118.362 2.279 1
1 291 . 13 1 1 A 34 34 TYR H H 34 8.225 7.577 0.648 1
1 292 . 13 1 1 A 34 34 TYR CA C 34 58.266 60.200 -1.934 1
1 293 . 13 1 1 A 34 34 TYR HA H 34 4.622 4.316 0.306 1
1 294 . 13 1 1 A 34 34 TYR CB C 34 38.478 38.741 -0.263 1
1 304 . 13 1 1 A 34 34 TYR C C 34 175.881 176.181 -0.300 1
1 306 . 13 1 1 A 35 35 GLY N N 35 109.142 105.462 3.680 1
1 307 . 13 1 1 A 35 35 GLY H H 35 7.416 7.163 0.253 1
1 308 . 13 1 1 A 35 35 GLY CA C 35 44.524 44.522 0.002 1
1 309 . 13 1 1 A 35 35 GLY HA3 H 35 4.411 4.123 0.288 1
1 310 . 13 1 1 A 35 35 GLY C C 35 172.956 172.437 0.519 1
1 311 . 13 1 1 A 35 35 GLY HA2 H 35 4.324 4.122 0.202 1
1 312 . 13 1 1 A 36 36 VAL N N 36 116.841 116.004 0.837 1
1 313 . 13 1 1 A 36 36 VAL H H 36 8.617 8.435 0.182 1
1 314 . 13 1 1 A 36 36 VAL CA C 36 57.700 58.117 -0.417 1
1 315 . 13 1 1 A 36 36 VAL HA H 36 4.880 5.002 -0.122 1
1 316 . 13 1 1 A 36 36 VAL CB C 36 33.474 33.819 -0.345 1
1 326 . 13 1 1 A 36 36 VAL C C 36 173.489 173.597 -0.108 1
1 327 . 13 1 1 A 37 37 PRO CA C 37 62.200 62.428 -0.228 1
1 328 . 13 1 1 A 37 37 PRO HA H 37 4.646 4.715 -0.069 1
1 329 . 13 1 1 A 37 37 PRO CB C 37 31.876 31.885 -0.009 1
1 335 . 13 1 1 A 37 37 PRO C C 37 177.148 176.978 0.170 1
1 339 . 13 1 1 A 38 38 ALA N N 38 124.330 125.005 -0.675 1
1 340 . 13 1 1 A 38 38 ALA H H 38 8.591 8.138 0.453 1
1 341 . 13 1 1 A 38 38 ALA CA C 38 52.606 52.541 0.065 1
1 342 . 13 1 1 A 38 38 ALA HA H 38 4.189 4.289 -0.100 1
1 343 . 13 1 1 A 38 38 ALA CB C 38 18.928 19.817 -0.889 1
1 347 . 13 1 1 A 38 38 ALA C C 38 178.418 178.290 0.128 1
1 348 . 13 1 1 A 39 39 SER N N 39 109.435 115.744 -6.309 1
1 349 . 13 1 1 A 39 39 SER H H 39 8.687 8.688 -0.001 1
1 350 . 13 1 1 A 39 39 SER CA C 39 61.147 59.092 2.055 1
1 351 . 13 1 1 A 39 39 SER HA H 39 3.770 4.069 -0.299 1
1 352 . 13 1 1 A 39 39 SER CB C 39 62.322 61.771 0.551 1
1 354 . 13 1 1 A 39 39 SER C C 39 172.372 173.378 -1.006 1
1 356 . 13 1 1 A 40 40 LEU N N 40 121.668 120.980 0.688 1
1 357 . 13 1 1 A 40 40 LEU H H 40 6.981 7.785 -0.804 1
1 358 . 13 1 1 A 40 40 LEU CA C 40 51.707 51.140 0.567 1
1 359 . 13 1 1 A 40 40 LEU HA H 40 4.890 4.705 0.185 1
1 360 . 13 1 1 A 40 40 LEU CB C 40 43.441 45.525 -2.084 1
1 372 . 13 1 1 A 40 40 LEU C C 40 173.635 174.045 -0.410 1
1 374 . 13 1 1 A 41 41 PRO CA C 41 62.683 62.359 0.324 1
1 375 . 13 1 1 A 41 41 PRO HA H 41 4.490 4.641 -0.151 1
1 376 . 13 1 1 A 41 41 PRO CB C 41 31.415 31.524 -0.109 1
1 382 . 13 1 1 A 41 41 PRO C C 41 175.540 175.261 0.279 1
1 386 . 13 1 1 A 42 42 VAL N N 42 124.505 122.659 1.846 1
1 387 . 13 1 1 A 42 42 VAL H H 42 8.917 7.785 1.132 1
1 388 . 13 1 1 A 42 42 VAL CA C 42 60.282 59.389 0.893 1
1 389 . 13 1 1 A 42 42 VAL HA H 42 4.408 4.656 -0.248 1
1 390 . 13 1 1 A 42 42 VAL CB C 42 34.522 34.660 -0.138 1
1 400 . 13 1 1 A 42 42 VAL C C 42 171.180 174.108 -2.928 1
1 401 . 13 1 1 A 43 43 ASP N N 43 121.538 126.932 -5.394 1
1 402 . 13 1 1 A 43 43 ASP H H 43 7.549 9.120 -1.571 1
1 403 . 13 1 1 A 43 43 ASP CA C 43 51.968 52.301 -0.333 1
1 404 . 13 1 1 A 43 43 ASP HA H 43 6.324 5.752 0.572 1
1 405 . 13 1 1 A 43 43 ASP CB C 43 44.949 44.781 0.168 1
1 407 . 13 1 1 A 43 43 ASP C C 43 177.711 174.761 2.950 1
1 409 . 13 1 1 A 44 44 PHE N N 44 112.517 116.812 -4.295 1
1 410 . 13 1 1 A 44 44 PHE H H 44 9.044 7.787 1.257 1
1 411 . 13 1 1 A 44 44 PHE CA C 44 57.658 54.960 2.698 1
1 412 . 13 1 1 A 44 44 PHE HA H 44 5.069 5.533 -0.464 1
1 413 . 13 1 1 A 44 44 PHE CB C 44 41.220 42.004 -0.784 1
1 425 . 13 1 1 A 44 44 PHE C C 44 171.679 173.248 -1.569 1
1 427 . 13 1 1 A 45 45 ALA N N 45 123.935 121.146 2.789 1
1 428 . 13 1 1 A 45 45 ALA H H 45 9.468 9.070 0.398 1
1 429 . 13 1 1 A 45 45 ALA CA C 45 50.855 50.636 0.219 1
1 430 . 13 1 1 A 45 45 ALA HA H 45 5.379 5.258 0.121 1
1 431 . 13 1 1 A 45 45 ALA CB C 45 22.496 22.010 0.486 1
1 435 . 13 1 1 A 45 45 ALA C C 45 176.715 175.784 0.931 1
1 436 . 13 1 1 A 46 46 ILE N N 46 119.530 124.140 -4.610 1
1 437 . 13 1 1 A 46 46 ILE H H 46 8.686 9.702 -1.016 1
1 438 . 13 1 1 A 46 46 ILE CA C 46 59.561 60.752 -1.191 1
1 439 . 13 1 1 A 46 46 ILE HA H 46 4.863 4.750 0.113 1
1 440 . 13 1 1 A 46 46 ILE CB C 46 41.370 37.953 3.417 1
1 452 . 13 1 1 A 46 46 ILE C C 46 174.379 174.460 -0.081 1
1 454 . 13 1 1 A 47 47 ASP N N 47 127.143 128.033 -0.890 1
1 455 . 13 1 1 A 47 47 ASP H H 47 9.281 8.461 0.820 1
1 456 . 13 1 1 A 47 47 ASP CA C 47 53.297 52.520 0.777 1
1 457 . 13 1 1 A 47 47 ASP HA H 47 4.976 5.367 -0.391 1
1 458 . 13 1 1 A 47 47 ASP CB C 47 41.371 42.109 -0.738 1
1 460 . 13 1 1 A 47 47 ASP C C 47 174.962 174.923 0.039 1
1 462 . 13 1 1 A 48 48 ALA N N 48 129.371 127.331 2.040 1
1 463 . 13 1 1 A 48 48 ALA H H 48 9.078 8.561 0.517 1
1 464 . 13 1 1 A 48 48 ALA CA C 48 50.554 50.679 -0.125 1
1 465 . 13 1 1 A 48 48 ALA HA H 48 4.641 4.964 -0.323 1
1 466 . 13 1 1 A 48 48 ALA CB C 48 19.699 20.683 -0.984 1
1 470 . 13 1 1 A 48 48 ALA C C 48 179.317 176.734 2.583 1
1 471 . 13 1 1 A 49 49 ARG N N 49 122.060 124.544 -2.484 1
1 472 . 13 1 1 A 49 49 ARG H H 49 8.590 8.902 -0.312 1
1 473 . 13 1 1 A 49 49 ARG CA C 49 60.964 57.611 3.353 1
1 474 . 13 1 1 A 49 49 ARG HA H 49 3.987 4.489 -0.502 1
1 475 . 13 1 1 A 49 49 ARG CB C 49 30.654 31.275 -0.621 1
1 483 . 13 1 1 A 49 49 ARG C C 49 178.077 176.976 1.101 1
1 487 . 13 1 1 A 50 50 ASP N N 50 116.664 116.236 0.428 1
1 488 . 13 1 1 A 50 50 ASP H H 50 8.794 8.043 0.751 1
1 489 . 13 1 1 A 50 50 ASP CA C 50 53.827 53.584 0.243 1
1 490 . 13 1 1 A 50 50 ASP HA H 50 5.040 4.949 0.091 1
1 491 . 13 1 1 A 50 50 ASP CB C 50 41.595 41.643 -0.048 1
1 493 . 13 1 1 A 50 50 ASP C C 50 175.754 176.437 -0.683 1
1 495 . 13 1 1 A 51 51 ALA N N 51 121.173 121.529 -0.356 1
1 496 . 13 1 1 A 51 51 ALA H H 51 7.406 7.774 -0.368 1
1 497 . 13 1 1 A 51 51 ALA CA C 51 52.147 52.219 -0.072 1
1 498 . 13 1 1 A 51 51 ALA HA H 51 4.414 4.552 -0.138 1
1 499 . 13 1 1 A 51 51 ALA CB C 51 23.427 19.907 3.520 1
1 503 . 13 1 1 A 51 51 ALA C C 51 176.763 178.360 -1.597 1
1 504 . 13 1 1 A 52 52 GLY N N 52 108.187 106.393 1.794 1
1 505 . 13 1 1 A 52 52 GLY H H 52 8.521 7.922 0.599 1
1 506 . 13 1 1 A 52 52 GLY CA C 52 45.210 45.670 -0.460 1
1 507 . 13 1 1 A 52 52 GLY HA3 H 52 3.859 4.168 -0.309 1
1 508 . 13 1 1 A 52 52 GLY C C 52 175.060 173.412 1.648 1
1 509 . 13 1 1 A 52 52 GLY HA2 H 52 4.492 4.110 0.382 1
1 510 . 13 1 1 A 53 53 GLU N N 53 124.810 122.606 2.204 1
1 511 . 13 1 1 A 53 53 GLU H H 53 8.643 8.724 -0.081 1
1 512 . 13 1 1 A 53 53 GLU CA C 53 56.352 54.933 1.419 1
1 513 . 13 1 1 A 53 53 GLU HA H 53 4.663 5.501 -0.838 1
1 514 . 13 1 1 A 53 53 GLU CB C 53 31.164 32.931 -1.767 1
1 518 . 13 1 1 A 53 53 GLU C C 53 173.491 175.454 -1.963 1
1 521 . 13 1 1 A 54 54 GLY N N 54 111.417 110.964 0.453 1
1 522 . 13 1 1 A 54 54 GLY H H 54 7.465 8.049 -0.584 1
1 523 . 13 1 1 A 54 54 GLY CA C 54 43.622 45.096 -1.474 1
1 524 . 13 1 1 A 54 54 GLY HA3 H 54 2.287 3.753 -1.466 1
1 525 . 13 1 1 A 54 54 GLY C C 54 170.013 171.791 -1.778 1
1 526 . 13 1 1 A 54 54 GLY HA2 H 54 3.819 3.349 0.470 1
1 527 . 13 1 1 A 55 55 LEU N N 55 117.446 122.570 -5.124 1
1 528 . 13 1 1 A 55 55 LEU H H 55 7.461 7.792 -0.331 1
1 529 . 13 1 1 A 55 55 LEU CA C 55 54.041 55.556 -1.515 1
1 530 . 13 1 1 A 55 55 LEU HA H 55 4.293 4.138 0.155 1
1 531 . 13 1 1 A 55 55 LEU CB C 55 42.832 42.175 0.657 1
1 543 . 13 1 1 A 55 55 LEU C C 55 176.872 175.527 1.345 1
1 545 . 13 1 1 A 56 56 LEU N N 56 131.840 128.467 3.373 1
1 546 . 13 1 1 A 56 56 LEU H H 56 8.791 8.404 0.387 1
1 547 . 13 1 1 A 56 56 LEU CA C 56 53.807 53.654 0.153 1
1 548 . 13 1 1 A 56 56 LEU HA H 56 5.053 4.731 0.322 1
1 549 . 13 1 1 A 56 56 LEU CB C 56 43.113 43.953 -0.840 1
1 561 . 13 1 1 A 56 56 LEU C C 56 175.389 175.059 0.330 1
1 563 . 13 1 1 A 57 57 ALA N N 57 130.035 128.363 1.672 1
1 564 . 13 1 1 A 57 57 ALA H H 57 8.880 8.450 0.430 1
1 565 . 13 1 1 A 57 57 ALA CA C 57 51.758 50.335 1.423 1
1 566 . 13 1 1 A 57 57 ALA HA H 57 4.641 5.198 -0.557 1
1 567 . 13 1 1 A 57 57 ALA CB C 57 21.820 23.196 -1.376 1
1 571 . 13 1 1 A 57 57 ALA C C 57 174.647 175.680 -1.033 1
1 572 . 13 1 1 A 58 58 VAL N N 58 120.958 120.488 0.470 1
1 573 . 13 1 1 A 58 58 VAL H H 58 8.443 8.755 -0.312 1
1 574 . 13 1 1 A 58 58 VAL CA C 58 60.495 61.260 -0.765 1
1 575 . 13 1 1 A 58 58 VAL HA H 58 4.988 4.724 0.264 1
1 576 . 13 1 1 A 58 58 VAL CB C 58 34.639 34.586 0.053 1
1 586 . 13 1 1 A 58 58 VAL C C 58 174.646 174.907 -0.261 1
1 587 . 13 1 1 A 59 59 GLN N N 59 127.048 126.518 0.530 1
1 588 . 13 1 1 A 59 59 GLN H H 59 9.196 9.017 0.179 1
1 589 . 13 1 1 A 59 59 GLN CA C 59 54.587 54.519 0.068 1
1 590 . 13 1 1 A 59 59 GLN HA H 59 4.706 4.959 -0.253 1
1 591 . 13 1 1 A 59 59 GLN CB C 59 31.580 30.462 1.118 1
1 598 . 13 1 1 A 59 59 GLN C C 59 174.197 174.913 -0.716 1
1 601 . 13 1 1 A 60 60 ILE N N 60 127.617 125.692 1.925 1
1 602 . 13 1 1 A 60 60 ILE H H 60 9.299 8.968 0.331 1
1 603 . 13 1 1 A 60 60 ILE CA C 60 60.506 59.968 0.538 1
1 604 . 13 1 1 A 60 60 ILE HA H 60 5.210 4.912 0.298 1
1 605 . 13 1 1 A 60 60 ILE CB C 60 39.172 40.315 -1.143 1
1 617 . 13 1 1 A 60 60 ILE C C 60 175.608 175.171 0.437 1
1 619 . 13 1 1 A 61 61 THR N N 61 119.733 117.667 2.066 1
1 620 . 13 1 1 A 61 61 THR H H 61 8.924 8.865 0.059 1
1 621 . 13 1 1 A 61 61 THR CA C 61 59.565 59.406 0.159 1
1 622 . 13 1 1 A 61 61 THR HA H 61 5.173 5.687 -0.514 1
1 623 . 13 1 1 A 61 61 THR CB C 61 72.121 72.350 -0.229 1
1 629 . 13 1 1 A 61 61 THR C C 61 174.051 172.398 1.653 1
1 630 . 13 1 1 A 62 62 ASP N N 62 122.337 123.040 -0.703 1
1 631 . 13 1 1 A 62 62 ASP H H 62 8.484 8.875 -0.391 1
1 632 . 13 1 1 A 62 62 ASP CA C 62 52.200 52.342 -0.142 1
1 633 . 13 1 1 A 62 62 ASP HA H 62 4.425 5.093 -0.668 1
1 634 . 13 1 1 A 62 62 ASP CB C 62 42.222 43.507 -1.285 1
1 636 . 13 1 1 A 62 62 ASP C C 62 179.086 177.447 1.639 1
1 638 . 13 1 1 A 63 63 GLN N N 63 118.341 122.166 -3.825 1
1 639 . 13 1 1 A 63 63 GLN H H 63 8.250 8.812 -0.562 1
1 640 . 13 1 1 A 63 63 GLN CA C 63 58.406 58.718 -0.312 1
1 641 . 13 1 1 A 63 63 GLN HA H 63 4.049 4.041 0.008 1
1 642 . 13 1 1 A 63 63 GLN CB C 63 28.127 28.089 0.038 1
1 649 . 13 1 1 A 63 63 GLN C C 63 177.152 178.025 -0.873 1
1 652 . 13 1 1 A 64 64 GLU N N 64 119.134 118.533 0.601 1
1 653 . 13 1 1 A 64 64 GLU H H 64 8.120 7.833 0.287 1
1 654 . 13 1 1 A 64 64 GLU CA C 64 55.790 57.056 -1.266 1
1 655 . 13 1 1 A 64 64 GLU HA H 64 4.423 4.349 0.074 1
1 656 . 13 1 1 A 64 64 GLU CB C 64 30.102 30.350 -0.248 1
1 660 . 13 1 1 A 64 64 GLU C C 64 176.374 176.632 -0.258 1
1 663 . 13 1 1 A 65 65 GLY N N 65 108.728 107.982 0.746 1
1 664 . 13 1 1 A 65 65 GLY H H 65 8.306 7.975 0.331 1
1 665 . 13 1 1 A 65 65 GLY CA C 65 45.285 45.716 -0.431 1
1 666 . 13 1 1 A 65 65 GLY HA3 H 65 3.561 4.018 -0.457 1
1 667 . 13 1 1 A 65 65 GLY C C 65 174.342 174.263 0.079 1
1 668 . 13 1 1 A 65 65 GLY HA2 H 65 4.203 4.009 0.194 1
1 669 . 13 1 1 A 66 66 LYS N N 66 123.502 119.573 3.929 1
1 670 . 13 1 1 A 66 66 LYS H H 66 8.528 7.819 0.709 1
1 671 . 13 1 1 A 66 66 LYS CA C 66 53.738 53.219 0.519 1
1 672 . 13 1 1 A 66 66 LYS HA H 66 4.613 4.709 -0.096 1
1 673 . 13 1 1 A 66 66 LYS CB C 66 31.167 32.515 -1.348 1
1 681 . 13 1 1 A 66 66 LYS C C 66 174.752 174.234 0.518 1
1 686 . 13 1 1 A 67 67 PRO CA C 67 62.433 62.620 -0.187 1
1 687 . 13 1 1 A 67 67 PRO HA H 67 5.062 4.748 0.314 1
1 688 . 13 1 1 A 67 67 PRO CB C 67 32.725 32.260 0.465 1
1 694 . 13 1 1 A 67 67 PRO C C 67 177.270 175.993 1.277 1
1 698 . 13 1 1 A 68 68 LYS N N 68 121.461 121.487 -0.026 1
1 699 . 13 1 1 A 68 68 LYS H H 68 8.419 8.499 -0.080 1
1 700 . 13 1 1 A 68 68 LYS CA C 68 52.023 54.515 -2.492 1
1 701 . 13 1 1 A 68 68 LYS HA H 68 4.797 4.868 -0.071 1
1 702 . 13 1 1 A 68 68 LYS CB C 68 32.611 35.875 -3.264 1
1 710 . 13 1 1 A 68 68 LYS C C 68 175.389 175.136 0.253 1
1 715 . 13 1 1 A 69 69 ARG N N 69 124.040 122.617 1.423 1
1 716 . 13 1 1 A 69 69 ARG H H 69 8.683 8.504 0.179 1
1 717 . 13 1 1 A 69 69 ARG CA C 69 57.045 56.537 0.508 1
1 718 . 13 1 1 A 69 69 ARG HA H 69 4.221 4.580 -0.359 1
1 719 . 13 1 1 A 69 69 ARG CB C 69 30.712 30.745 -0.033 1
1 725 . 13 1 1 A 69 69 ARG C C 69 174.877 175.382 -0.505 1
1 729 . 13 1 1 A 70 70 ALA N N 70 127.074 127.552 -0.478 1
1 730 . 13 1 1 A 70 70 ALA H H 70 8.421 8.709 -0.288 1
1 731 . 13 1 1 A 70 70 ALA CA C 70 50.360 50.729 -0.369 1
1 732 . 13 1 1 A 70 70 ALA HA H 70 4.859 5.223 -0.364 1
1 733 . 13 1 1 A 70 70 ALA CB C 70 20.569 22.640 -2.071 1
1 737 . 13 1 1 A 70 70 ALA C C 70 176.313 175.699 0.614 1
1 738 . 13 1 1 A 71 71 ILE N N 71 124.496 121.279 3.217 1
1 739 . 13 1 1 A 71 71 ILE H H 71 8.943 8.907 0.036 1
1 740 . 13 1 1 A 71 71 ILE CA C 71 60.870 59.803 1.067 1
1 741 . 13 1 1 A 71 71 ILE HA H 71 4.195 4.837 -0.642 1
1 742 . 13 1 1 A 71 71 ILE CB C 71 38.457 40.581 -2.124 1
1 754 . 13 1 1 A 71 71 ILE C C 71 175.027 174.164 0.863 1
1 756 . 13 1 1 A 72 72 VAL N N 72 128.410 126.603 1.807 1
1 757 . 13 1 1 A 72 72 VAL H H 72 8.714 8.797 -0.083 1
1 758 . 13 1 1 A 72 72 VAL CA C 72 61.867 59.635 2.232 1
1 759 . 13 1 1 A 72 72 VAL HA H 72 4.478 4.896 -0.418 1
1 760 . 13 1 1 A 72 72 VAL CB C 72 32.745 34.202 -1.457 1
1 770 . 13 1 1 A 72 72 VAL C C 72 175.279 173.348 1.931 1
1 771 . 13 1 1 A 73 73 HIS N N 73 129.084 127.079 2.005 1
1 772 . 13 1 1 A 73 73 HIS H H 73 9.783 8.909 0.874 1
1 773 . 13 1 1 A 73 73 HIS CA C 73 55.366 54.163 1.203 1
1 774 . 13 1 1 A 73 73 HIS HA H 73 4.849 5.309 -0.460 1
1 775 . 13 1 1 A 73 73 HIS CB C 73 31.465 32.920 -1.455 1
1 781 . 13 1 1 A 73 73 HIS C C 73 173.491 173.671 -0.180 1
1 783 . 13 1 1 A 74 74 ASP N N 74 127.118 123.121 3.997 1
1 784 . 13 1 1 A 74 74 ASP H H 74 8.541 8.745 -0.204 1
1 785 . 13 1 1 A 74 74 ASP CA C 74 53.048 52.828 0.220 1
1 786 . 13 1 1 A 74 74 ASP HA H 74 4.476 5.320 -0.844 1
1 787 . 13 1 1 A 74 74 ASP CB C 74 41.554 42.229 -0.675 1
1 789 . 13 1 1 A 74 74 ASP C C 74 175.936 175.760 0.176 1
1 791 . 13 1 1 A 75 75 ASN N N 75 124.002 120.883 3.119 1
1 792 . 13 1 1 A 75 75 ASN H H 75 7.827 8.809 -0.982 1
1 793 . 13 1 1 A 75 75 ASN CA C 75 54.517 53.180 1.337 1
1 794 . 13 1 1 A 75 75 ASN HA H 75 4.572 4.882 -0.310 1
1 795 . 13 1 1 A 75 75 ASN CB C 75 38.091 39.769 -1.678 1
1 800 . 13 1 1 A 75 75 ASN C C 75 175.352 174.885 0.467 1
1 802 . 13 1 1 A 76 76 LYS N N 76 114.689 115.456 -0.767 1
1 803 . 13 1 1 A 76 76 LYS H H 76 9.246 7.722 1.524 1
1 804 . 13 1 1 A 76 76 LYS CA C 76 57.428 57.237 0.191 1
1 805 . 13 1 1 A 76 76 LYS HA H 76 3.882 3.887 -0.005 1
1 806 . 13 1 1 A 76 76 LYS CB C 76 28.223 29.009 -0.786 1
1 814 . 13 1 1 A 76 76 LYS C C 76 174.975 174.724 0.251 1
1 819 . 13 1 1 A 77 77 ASP N N 77 117.462 118.897 -1.435 1
1 820 . 13 1 1 A 77 77 ASP H H 77 7.831 7.886 -0.055 1
1 821 . 13 1 1 A 77 77 ASP CA C 77 52.168 53.010 -0.842 1
1 822 . 13 1 1 A 77 77 ASP HA H 77 4.706 4.814 -0.108 1
1 823 . 13 1 1 A 77 77 ASP CB C 77 41.224 41.091 0.133 1
1 825 . 13 1 1 A 77 77 ASP C C 77 176.739 176.049 0.690 1
1 827 . 13 1 1 A 78 78 GLY N N 78 109.485 108.095 1.390 1
1 828 . 13 1 1 A 78 78 GLY H H 78 8.658 8.619 0.039 1
1 829 . 13 1 1 A 78 78 GLY CA C 78 45.568 46.031 -0.463 1
1 830 . 13 1 1 A 78 78 GLY HA3 H 78 3.698 3.832 -0.134 1
1 831 . 13 1 1 A 78 78 GLY C C 78 172.263 173.403 -1.140 1
1 832 . 13 1 1 A 78 78 GLY HA2 H 78 4.323 3.808 0.515 1
1 833 . 13 1 1 A 79 79 THR N N 79 109.462 109.930 -0.468 1
1 834 . 13 1 1 A 79 79 THR H H 79 8.057 7.205 0.852 1
1 835 . 13 1 1 A 79 79 THR CA C 79 59.989 60.002 -0.013 1
1 836 . 13 1 1 A 79 79 THR HA H 79 5.566 5.094 0.472 1
1 837 . 13 1 1 A 79 79 THR CB C 79 72.712 72.737 -0.025 1
1 843 . 13 1 1 A 79 79 THR C C 79 173.868 171.831 2.037 1
1 844 . 13 1 1 A 80 80 TYR N N 80 116.428 119.062 -2.634 1
1 845 . 13 1 1 A 80 80 TYR H H 80 9.085 8.737 0.348 1
1 846 . 13 1 1 A 80 80 TYR CA C 80 56.533 56.430 0.103 1
1 847 . 13 1 1 A 80 80 TYR HA H 80 5.372 5.132 0.240 1
1 848 . 13 1 1 A 80 80 TYR CB C 80 42.831 42.597 0.234 1
1 858 . 13 1 1 A 80 80 TYR C C 80 175.327 174.655 0.672 1
1 860 . 13 1 1 A 81 81 ALA N N 81 126.743 126.213 0.530 1
1 861 . 13 1 1 A 81 81 ALA H H 81 9.302 8.520 0.782 1
1 862 . 13 1 1 A 81 81 ALA CA C 81 51.121 49.910 1.211 1
1 863 . 13 1 1 A 81 81 ALA HA H 81 5.149 5.562 -0.413 1
1 864 . 13 1 1 A 81 81 ALA CB C 81 22.111 22.905 -0.794 1
1 868 . 13 1 1 A 81 81 ALA C C 81 175.505 175.939 -0.434 1
1 869 . 13 1 1 A 82 82 VAL N N 82 124.472 120.623 3.849 1
1 870 . 13 1 1 A 82 82 VAL H H 82 8.940 7.840 1.100 1
1 871 . 13 1 1 A 82 82 VAL CA C 82 60.264 61.026 -0.762 1
1 872 . 13 1 1 A 82 82 VAL HA H 82 5.039 4.532 0.507 1
1 873 . 13 1 1 A 82 82 VAL CB C 82 33.236 34.531 -1.295 1
1 883 . 13 1 1 A 82 82 VAL C C 82 174.517 174.404 0.113 1
1 884 . 13 1 1 A 83 83 THR N N 83 121.500 122.861 -1.361 1
1 885 . 13 1 1 A 83 83 THR H H 83 8.717 8.787 -0.070 1
1 886 . 13 1 1 A 83 83 THR CA C 83 61.075 62.395 -1.320 1
1 887 . 13 1 1 A 83 83 THR HA H 83 5.497 5.077 0.420 1
1 888 . 13 1 1 A 83 83 THR CB C 83 72.153 71.005 1.148 1
1 894 . 13 1 1 A 83 83 THR C C 83 173.515 173.746 -0.231 1
1 895 . 13 1 1 A 84 84 TYR N N 84 122.841 120.970 1.871 1
1 896 . 13 1 1 A 84 84 TYR H H 84 9.014 8.673 0.341 1
1 897 . 13 1 1 A 84 84 TYR CA C 84 55.985 55.824 0.161 1
1 898 . 13 1 1 A 84 84 TYR HA H 84 4.979 5.352 -0.373 1
1 899 . 13 1 1 A 84 84 TYR CB C 84 41.967 41.672 0.295 1
1 909 . 13 1 1 A 84 84 TYR C C 84 171.873 173.033 -1.160 1
1 911 . 13 1 1 A 85 85 ILE N N 85 118.254 123.153 -4.899 1
1 912 . 13 1 1 A 85 85 ILE H H 85 8.805 8.915 -0.110 1
1 913 . 13 1 1 A 85 85 ILE CA C 85 57.883 58.093 -0.210 1
1 914 . 13 1 1 A 85 85 ILE HA H 85 4.550 4.527 0.023 1
1 915 . 13 1 1 A 85 85 ILE CB C 85 40.179 39.076 1.103 1
1 927 . 13 1 1 A 85 85 ILE C C 85 174.339 174.693 -0.354 1
1 929 . 13 1 1 A 86 86 PRO CA C 86 61.414 62.604 -1.190 1
1 930 . 13 1 1 A 86 86 PRO HA H 86 4.436 4.603 -0.167 1
1 931 . 13 1 1 A 86 86 PRO CB C 86 30.107 31.674 -1.567 1
1 937 . 13 1 1 A 86 86 PRO C C 86 175.126 177.309 -2.183 1
1 941 . 13 1 1 A 87 87 ASP N N 87 123.447 125.103 -1.656 1
1 942 . 13 1 1 A 87 87 ASP H H 87 8.501 8.934 -0.433 1
1 943 . 13 1 1 A 87 87 ASP CA C 87 55.668 57.044 -1.376 1
1 944 . 13 1 1 A 87 87 ASP HA H 87 4.263 4.541 -0.278 1
1 945 . 13 1 1 A 87 87 ASP CB C 87 40.930 41.261 -0.331 1
1 947 . 13 1 1 A 87 87 ASP C C 87 175.182 176.794 -1.612 1
1 949 . 13 1 1 A 88 88 LYS N N 88 116.947 118.795 -1.848 1
1 950 . 13 1 1 A 88 88 LYS H H 88 7.683 7.950 -0.267 1
1 951 . 13 1 1 A 88 88 LYS CA C 88 54.995 56.080 -1.085 1
1 952 . 13 1 1 A 88 88 LYS HA H 88 4.588 4.489 0.099 1
1 953 . 13 1 1 A 88 88 LYS CB C 88 34.821 33.631 1.190 1
1 961 . 13 1 1 A 88 88 LYS C C 88 177.529 176.272 1.257 1
1 966 . 13 1 1 A 89 89 THR N N 89 114.134 113.154 0.980 1
1 967 . 13 1 1 A 89 89 THR H H 89 8.588 8.613 -0.025 1
1 968 . 13 1 1 A 89 89 THR CA C 89 62.828 59.912 2.916 1
1 969 . 13 1 1 A 89 89 THR HA H 89 4.083 5.153 -1.070 1
1 970 . 13 1 1 A 89 89 THR CB C 89 69.590 71.496 -1.906 1
1 976 . 13 1 1 A 89 89 THR C C 89 174.269 173.402 0.867 1
1 977 . 13 1 1 A 90 90 GLY N N 90 109.440 108.166 1.274 1
1 978 . 13 1 1 A 90 90 GLY H H 90 8.444 8.181 0.263 1
1 979 . 13 1 1 A 90 90 GLY CA C 90 44.648 45.086 -0.438 1
1 980 . 13 1 1 A 90 90 GLY HA3 H 90 4.467 4.174 0.293 1
1 981 . 13 1 1 A 90 90 GLY C C 90 172.469 172.116 0.353 1
1 982 . 13 1 1 A 90 90 GLY HA2 H 90 3.908 4.112 -0.204 1
1 983 . 13 1 1 A 91 91 ARG N N 91 120.781 120.777 0.004 1
1 984 . 13 1 1 A 91 91 ARG H H 91 8.271 8.269 0.002 1
1 985 . 13 1 1 A 91 91 ARG CA C 91 56.178 54.171 2.007 1
1 986 . 13 1 1 A 91 91 ARG HA H 91 4.951 5.176 -0.225 1
1 987 . 13 1 1 A 91 91 ARG CB C 91 31.986 33.614 -1.628 1
1 993 . 13 1 1 A 91 91 ARG C C 91 175.711 174.294 1.417 1
1 997 . 13 1 1 A 92 92 TYR N N 92 122.381 119.889 2.492 1
1 998 . 13 1 1 A 92 92 TYR H H 92 9.312 8.913 0.399 1
1 999 . 13 1 1 A 92 92 TYR CA C 92 56.886 56.714 0.172 1
1 1000 . 13 1 1 A 92 92 TYR HA H 92 4.960 5.209 -0.249 1
1 1001 . 13 1 1 A 92 92 TYR CB C 92 41.223 42.523 -1.300 1
1 1011 . 13 1 1 A 92 92 TYR C C 92 174.902 174.038 0.864 1
1 1013 . 13 1 1 A 93 93 MET N N 93 121.210 123.814 -2.604 1
1 1014 . 13 1 1 A 93 93 MET H H 93 8.819 8.633 0.186 1
1 1015 . 13 1 1 A 93 93 MET CA C 93 53.745 54.076 -0.331 1
1 1016 . 13 1 1 A 93 93 MET HA H 93 5.346 5.396 -0.050 1
1 1017 . 13 1 1 A 93 93 MET CB C 93 34.220 35.439 -1.219 1
1 1025 . 13 1 1 A 93 93 MET C C 93 175.365 174.432 0.933 1
1 1028 . 13 1 1 A 94 94 ILE N N 94 125.747 127.001 -1.254 1
1 1029 . 13 1 1 A 94 94 ILE H H 94 9.372 8.952 0.420 1
1 1030 . 13 1 1 A 94 94 ILE CA C 94 60.685 59.661 1.024 1
1 1031 . 13 1 1 A 94 94 ILE HA H 94 4.606 4.887 -0.281 1
1 1032 . 13 1 1 A 94 94 ILE CB C 94 39.188 39.274 -0.086 1
1 1044 . 13 1 1 A 94 94 ILE C C 94 174.987 174.833 0.154 1
1 1046 . 13 1 1 A 95 95 GLY N N 95 116.553 115.318 1.235 1
1 1047 . 13 1 1 A 95 95 GLY H H 95 9.509 9.342 0.167 1
1 1048 . 13 1 1 A 95 95 GLY CA C 95 44.507 45.353 -0.846 1
1 1049 . 13 1 1 A 95 95 GLY HA3 H 95 3.605 4.140 -0.535 1
1 1050 . 13 1 1 A 95 95 GLY C C 95 173.175 172.683 0.492 1
1 1051 . 13 1 1 A 95 95 GLY HA2 H 95 4.606 4.115 0.491 1
1 1052 . 13 1 1 A 96 96 VAL N N 96 127.036 127.417 -0.381 1
1 1053 . 13 1 1 A 96 96 VAL H H 96 9.299 8.457 0.842 1
1 1054 . 13 1 1 A 96 96 VAL CA C 96 61.308 62.641 -1.333 1
1 1055 . 13 1 1 A 96 96 VAL HA H 96 4.889 4.501 0.388 1
1 1056 . 13 1 1 A 96 96 VAL CB C 96 34.145 32.492 1.653 1
1 1066 . 13 1 1 A 96 96 VAL C C 96 174.354 175.287 -0.933 1
1 1067 . 13 1 1 A 97 97 THR N N 97 115.219 116.987 -1.768 1
1 1068 . 13 1 1 A 97 97 THR H H 97 9.018 8.259 0.759 1
1 1069 . 13 1 1 A 97 97 THR CA C 97 57.826 60.391 -2.565 1
1 1070 . 13 1 1 A 97 97 THR HA H 97 5.265 5.358 -0.093 1
1 1071 . 13 1 1 A 97 97 THR CB C 97 72.753 71.849 0.904 1
1 1077 . 13 1 1 A 97 97 THR C C 97 173.175 172.463 0.712 1
1 1078 . 13 1 1 A 98 98 TYR N N 98 122.768 123.881 -1.113 1
1 1079 . 13 1 1 A 98 98 TYR H H 98 9.149 9.281 -0.132 1
1 1080 . 13 1 1 A 98 98 TYR CA C 98 57.488 57.238 0.250 1
1 1081 . 13 1 1 A 98 98 TYR HA H 98 5.077 4.910 0.167 1
1 1082 . 13 1 1 A 98 98 TYR CB C 98 43.122 41.438 1.684 1
1 1092 . 13 1 1 A 98 98 TYR C C 98 175.949 175.551 0.398 1
1 1094 . 13 1 1 A 99 99 GLY N N 99 113.994 115.165 -1.171 1
1 1095 . 13 1 1 A 99 99 GLY H H 99 8.402 9.087 -0.685 1
1 1096 . 13 1 1 A 99 99 GLY CA C 99 45.010 46.564 -1.554 1
1 1097 . 13 1 1 A 99 99 GLY HA3 H 99 2.623 3.473 -0.850 1
1 1098 . 13 1 1 A 99 99 GLY C C 99 174.197 175.293 -1.096 1
1 1099 . 13 1 1 A 99 99 GLY HA2 H 99 3.220 3.271 -0.051 1
1 1100 . 13 1 1 A 100 100 GLY N N 100 103.115 106.199 -3.084 1
1 1101 . 13 1 1 A 100 100 GLY H H 100 8.288 8.616 -0.328 1
1 1102 . 13 1 1 A 100 100 GLY CA C 100 44.170 46.465 -2.295 1
1 1103 . 13 1 1 A 100 100 GLY HA3 H 100 4.265 3.913 0.352 1
1 1104 . 13 1 1 A 100 100 GLY C C 100 173.054 173.093 -0.039 1
1 1105 . 13 1 1 A 100 100 GLY HA2 H 100 3.284 3.897 -0.613 1
1 1106 . 13 1 1 A 101 101 ASP N N 101 120.566 119.115 1.451 1
1 1107 . 13 1 1 A 101 101 ASP H H 101 7.245 7.853 -0.608 1
1 1108 . 13 1 1 A 101 101 ASP CA C 101 52.908 53.186 -0.278 1
1 1109 . 13 1 1 A 101 101 ASP HA H 101 5.012 5.278 -0.266 1
1 1110 . 13 1 1 A 101 101 ASP CB C 101 42.831 45.030 -2.199 1
1 1112 . 13 1 1 A 101 101 ASP C C 101 175.182 173.506 1.676 1
1 1114 . 13 1 1 A 102 102 ASP N N 102 122.668 122.988 -0.320 1
1 1115 . 13 1 1 A 102 102 ASP H H 102 8.597 8.810 -0.213 1
1 1116 . 13 1 1 A 102 102 ASP CA C 102 56.233 52.870 3.363 1
1 1117 . 13 1 1 A 102 102 ASP HA H 102 4.667 5.344 -0.677 1
1 1118 . 13 1 1 A 102 102 ASP CB C 102 42.373 42.212 0.161 1
1 1120 . 13 1 1 A 102 102 ASP C C 102 176.970 175.806 1.164 1
1 1122 . 13 1 1 A 103 103 ILE N N 103 117.672 119.512 -1.840 1
1 1123 . 13 1 1 A 103 103 ILE H H 103 7.887 8.752 -0.865 1
1 1124 . 13 1 1 A 103 103 ILE CA C 103 61.025 59.810 1.215 1
1 1125 . 13 1 1 A 103 103 ILE HA H 103 4.526 4.571 -0.045 1
1 1126 . 13 1 1 A 103 103 ILE CB C 103 35.534 37.652 -2.118 1
1 1138 . 13 1 1 A 103 103 ILE C C 103 173.902 176.474 -2.572 1
1 1140 . 13 1 1 A 104 104 PRO CA C 104 66.456 64.203 2.253 1
1 1141 . 13 1 1 A 104 104 PRO HA H 104 4.177 4.531 -0.354 1
1 1142 . 13 1 1 A 104 104 PRO CB C 104 31.709 31.614 0.095 1
1 1151 . 13 1 1 A 105 105 LEU N N 105 115.386 117.768 -2.382 1
1 1152 . 13 1 1 A 105 105 LEU H H 105 8.464 7.966 0.498 1
1 1153 . 13 1 1 A 105 105 LEU CA C 105 55.294 56.026 -0.732 1
1 1154 . 13 1 1 A 105 105 LEU HA H 105 3.845 4.257 -0.412 1
1 1155 . 13 1 1 A 105 105 LEU CB C 105 39.148 43.018 -3.870 1
1 1168 . 13 1 1 A 106 106 SER N N 106 111.669 115.184 -3.515 1
1 1169 . 13 1 1 A 106 106 SER H H 106 7.338 7.731 -0.393 1
1 1170 . 13 1 1 A 106 106 SER CA C 106 54.750 57.331 -2.581 1
1 1171 . 13 1 1 A 106 106 SER HA H 106 4.347 4.601 -0.254 1
1 1172 . 13 1 1 A 106 106 SER CB C 106 64.133 62.603 1.530 1
1 1175 . 13 1 1 A 107 107 PRO CA C 107 62.344 62.447 -0.103 1
1 1176 . 13 1 1 A 107 107 PRO HA H 107 5.323 4.701 0.622 1
1 1177 . 13 1 1 A 107 107 PRO CB C 107 33.977 32.924 1.053 1
1 1183 . 13 1 1 A 107 107 PRO C C 107 176.003 174.775 1.228 1
1 1187 . 13 1 1 A 108 108 TYR N N 108 122.832 119.201 3.631 1
1 1188 . 13 1 1 A 108 108 TYR H H 108 9.294 8.177 1.117 1
1 1189 . 13 1 1 A 108 108 TYR CA C 108 57.629 56.725 0.904 1
1 1190 . 13 1 1 A 108 108 TYR HA H 108 4.428 4.963 -0.535 1
1 1191 . 13 1 1 A 108 108 TYR CB C 108 40.091 41.518 -1.427 1
1 1201 . 13 1 1 A 108 108 TYR C C 108 175.851 174.958 0.893 1
1 1203 . 13 1 1 A 109 109 ARG N N 109 122.941 123.136 -0.195 1
1 1204 . 13 1 1 A 109 109 ARG H H 109 8.746 8.823 -0.077 1
1 1205 . 13 1 1 A 109 109 ARG CA C 109 55.259 55.764 -0.505 1
1 1206 . 13 1 1 A 109 109 ARG HA H 109 5.189 4.797 0.392 1
1 1207 . 13 1 1 A 109 109 ARG CB C 109 30.879 31.127 -0.248 1
1 1213 . 13 1 1 A 109 109 ARG C C 109 175.522 175.271 0.251 1
1 1217 . 13 1 1 A 110 110 ILE N N 110 125.109 124.651 0.458 1
1 1218 . 13 1 1 A 110 110 ILE H H 110 8.742 8.626 0.116 1
1 1219 . 13 1 1 A 110 110 ILE CA C 110 57.577 59.355 -1.778 1
1 1220 . 13 1 1 A 110 110 ILE HA H 110 4.758 4.901 -0.143 1
1 1221 . 13 1 1 A 110 110 ILE CB C 110 41.138 42.224 -1.086 1
1 1233 . 13 1 1 A 110 110 ILE C C 110 175.121 174.920 0.201 1
1 1235 . 13 1 1 A 111 111 ARG N N 111 125.357 124.584 0.773 1
1 1236 . 13 1 1 A 111 111 ARG H H 111 8.776 8.753 0.023 1
1 1237 . 13 1 1 A 111 111 ARG CA C 111 54.730 54.205 0.525 1
1 1238 . 13 1 1 A 111 111 ARG HA H 111 5.053 5.256 -0.203 1
1 1239 . 13 1 1 A 111 111 ARG CB C 111 32.685 32.452 0.233 1
1 1245 . 13 1 1 A 111 111 ARG C C 111 174.163 174.970 -0.807 1
1 1249 . 13 1 1 A 112 112 ALA N N 112 127.119 127.856 -0.737 1
1 1250 . 13 1 1 A 112 112 ALA H H 112 9.208 8.526 0.682 1
1 1251 . 13 1 1 A 112 112 ALA CA C 112 49.945 51.786 -1.841 1
1 1252 . 13 1 1 A 112 112 ALA HA H 112 5.851 4.786 1.065 1
1 1253 . 13 1 1 A 112 112 ALA CB C 112 21.329 18.983 2.346 1
1 1257 . 13 1 1 A 112 112 ALA C C 112 178.853 177.024 1.829 1
1 1258 . 13 1 1 A 113 113 THR N N 113 116.033 115.664 0.369 1
1 1259 . 13 1 1 A 113 113 THR H H 113 8.995 8.340 0.655 1
1 1260 . 13 1 1 A 113 113 THR CA C 113 60.312 62.137 -1.825 1
1 1261 . 13 1 1 A 113 113 THR HA H 113 4.695 4.344 0.351 1
1 1262 . 13 1 1 A 113 113 THR CB C 113 71.251 69.281 1.970 1
1 1268 . 13 1 1 A 113 113 THR C C 113 173.710 174.264 -0.554 1
1 1269 . 13 1 1 A 114 114 GLN N N 114 122.122 124.866 -2.744 1
1 1270 . 13 1 1 A 114 114 GLN H H 114 8.753 8.360 0.393 1
1 1271 . 13 1 1 A 114 114 GLN CA C 114 55.817 55.331 0.486 1
1 1272 . 13 1 1 A 114 114 GLN HA H 114 4.570 4.405 0.165 1
1 1273 . 13 1 1 A 114 114 GLN CB C 114 30.106 29.742 0.364 1
1 1280 . 13 1 1 A 114 114 GLN C C 114 176.106 174.996 1.110 1
1 1283 . 13 1 1 A 115 115 THR N N 115 117.345 114.472 2.873 1
1 1284 . 13 1 1 A 115 115 THR H H 115 8.493 8.703 -0.210 1
1 1285 . 13 1 1 A 115 115 THR CA C 115 62.328 60.748 1.580 1
1 1286 . 13 1 1 A 115 115 THR HA H 115 4.351 4.813 -0.462 1
1 1287 . 13 1 1 A 115 115 THR CB C 115 69.874 70.598 -0.724 1
1 1293 . 13 1 1 A 115 115 THR C C 115 175.158 172.377 2.781 1
1 1294 . 13 1 1 A 116 116 GLY N N 116 111.927 113.666 -1.739 1
1 1295 . 13 1 1 A 116 116 GLY H H 116 8.559 8.928 -0.369 1
1 1296 . 13 1 1 A 116 116 GLY CA C 116 45.315 45.224 0.091 1
1 1297 . 13 1 1 A 116 116 GLY HA3 H 116 3.934 4.157 -0.223 1
1 1298 . 13 1 1 A 116 116 GLY C C 116 173.820 171.689 2.131 1
1 1299 . 13 1 1 A 116 116 GLY HA2 H 116 4.030 4.155 -0.125 1
1 1300 . 13 1 1 A 117 117 ASP N N 117 120.643 125.398 -4.755 1
1 1301 . 13 1 1 A 117 117 ASP H H 117 8.208 9.138 -0.930 1
1 1302 . 13 1 1 A 117 117 ASP CA C 117 54.393 52.969 1.424 1
1 1303 . 13 1 1 A 117 117 ASP HA H 117 4.615 5.450 -0.835 1
1 1304 . 13 1 1 A 117 117 ASP CB C 117 41.388 42.254 -0.866 1
1 1306 . 13 1 1 A 117 117 ASP C C 117 175.973 174.694 1.279 1
1 1308 . 13 1 1 A 118 118 ALA N N 118 124.934 126.840 -1.906 1
1 1309 . 13 1 1 A 118 118 ALA H H 118 8.312 8.437 -0.125 1
1 1310 . 13 1 1 A 118 118 ALA CA C 118 52.447 51.734 0.713 1
1 1311 . 13 1 1 A 118 118 ALA HA H 118 4.415 4.825 -0.410 1
1 1312 . 13 1 1 A 118 118 ALA CB C 118 19.339 23.015 -3.676 1
1 1316 . 13 1 1 A 118 118 ALA C C 118 176.848 175.889 0.959 1
1 1 . 14 1 1 A 9 9 SER HA H 9 4.733 4.048 0.685 1
1 2 . 14 1 1 A 10 10 PRO CA C 10 63.335 62.358 0.977 1
1 3 . 14 1 1 A 10 10 PRO HA H 10 4.399 4.606 -0.207 1
1 4 . 14 1 1 A 10 10 PRO CB C 10 31.938 32.374 -0.436 1
1 10 . 14 1 1 A 10 10 PRO C C 10 176.442 176.858 -0.416 1
1 14 . 14 1 1 A 11 11 PHE N N 11 119.801 119.026 0.775 1
1 15 . 14 1 1 A 11 11 PHE H H 11 8.036 8.766 -0.730 1
1 16 . 14 1 1 A 11 11 PHE CA C 11 57.505 57.284 0.221 1
1 17 . 14 1 1 A 11 11 PHE HA H 11 4.606 4.566 0.040 1
1 18 . 14 1 1 A 11 11 PHE CB C 11 39.592 39.048 0.544 1
1 30 . 14 1 1 A 11 11 PHE C C 11 175.401 175.528 -0.127 1
1 32 . 14 1 1 A 12 12 LYS N N 12 123.563 123.284 0.279 1
1 33 . 14 1 1 A 12 12 LYS H H 12 8.112 8.417 -0.305 1
1 34 . 14 1 1 A 12 12 LYS CA C 12 56.175 54.044 2.131 1
1 35 . 14 1 1 A 12 12 LYS HA H 12 4.322 4.771 -0.449 1
1 36 . 14 1 1 A 12 12 LYS CB C 12 33.352 36.628 -3.276 1
1 44 . 14 1 1 A 12 12 LYS C C 12 175.802 176.070 -0.268 1
1 49 . 14 1 1 A 13 13 VAL N N 13 122.071 120.141 1.930 1
1 50 . 14 1 1 A 13 13 VAL H H 13 8.080 8.699 -0.619 1
1 51 . 14 1 1 A 13 13 VAL CA C 13 62.280 63.467 -1.187 1
1 52 . 14 1 1 A 13 13 VAL HA H 13 4.036 3.938 0.098 1
1 53 . 14 1 1 A 13 13 VAL CB C 13 32.895 32.048 0.847 1
1 63 . 14 1 1 A 13 13 VAL C C 13 175.814 175.416 0.398 1
1 64 . 14 1 1 A 14 14 LYS N N 14 125.874 128.043 -2.169 1
1 65 . 14 1 1 A 14 14 LYS H H 14 8.392 8.387 0.005 1
1 66 . 14 1 1 A 14 14 LYS CA C 14 56.250 55.601 0.649 1
1 67 . 14 1 1 A 14 14 LYS HA H 14 4.322 4.875 -0.553 1
1 68 . 14 1 1 A 14 14 LYS CB C 14 33.193 33.378 -0.185 1
1 73 . 14 1 1 A 14 14 LYS C C 14 175.973 175.836 0.137 1
1 75 . 14 1 1 A 15 15 VAL N N 15 123.129 117.841 5.288 1
1 76 . 14 1 1 A 15 15 VAL H H 15 8.204 8.707 -0.503 1
1 77 . 14 1 1 A 15 15 VAL CA C 15 62.033 59.391 2.642 1
1 78 . 14 1 1 A 15 15 VAL HA H 15 4.100 4.788 -0.688 1
1 79 . 14 1 1 A 15 15 VAL CB C 15 32.858 35.391 -2.533 1
1 89 . 14 1 1 A 15 15 VAL C C 15 175.717 175.065 0.652 1
1 90 . 14 1 1 A 16 16 LEU N N 16 127.971 120.942 7.029 1
1 91 . 14 1 1 A 16 16 LEU H H 16 8.378 8.323 0.055 1
1 92 . 14 1 1 A 16 16 LEU CA C 16 52.885 53.479 -0.594 1
1 93 . 14 1 1 A 16 16 LEU HA H 16 4.624 4.323 0.301 1
1 94 . 14 1 1 A 16 16 LEU CB C 16 41.706 41.961 -0.255 1
1 106 . 14 1 1 A 16 16 LEU C C 16 175.092 176.200 -1.108 1
1 108 . 14 1 1 A 17 17 PRO CA C 17 62.704 62.381 0.323 1
1 109 . 14 1 1 A 17 17 PRO HA H 17 4.556 4.654 -0.098 1
1 110 . 14 1 1 A 17 17 PRO CB C 17 32.293 32.626 -0.333 1
1 116 . 14 1 1 A 17 17 PRO C C 17 177.319 176.729 0.590 1
1 120 . 14 1 1 A 18 18 THR N N 18 112.726 113.909 -1.183 1
1 121 . 14 1 1 A 18 18 THR H H 18 8.497 8.735 -0.238 1
1 122 . 14 1 1 A 18 18 THR CA C 18 62.335 63.992 -1.657 1
1 123 . 14 1 1 A 18 18 THR HA H 18 4.352 4.299 0.053 1
1 124 . 14 1 1 A 18 18 THR CB C 18 69.700 69.297 0.403 1
1 130 . 14 1 1 A 18 18 THR C C 18 173.418 174.778 -1.360 1
1 131 . 14 1 1 A 19 19 TYR N N 19 118.883 120.038 -1.155 1
1 132 . 14 1 1 A 19 19 TYR H H 19 7.244 7.713 -0.469 1
1 133 . 14 1 1 A 19 19 TYR CA C 19 55.270 57.791 -2.521 1
1 134 . 14 1 1 A 19 19 TYR HA H 19 5.404 4.939 0.465 1
1 135 . 14 1 1 A 19 19 TYR CB C 19 40.974 39.873 1.101 1
1 145 . 14 1 1 A 19 19 TYR C C 19 174.318 174.929 -0.611 1
1 147 . 14 1 1 A 20 20 ASP N N 20 118.193 120.201 -2.008 1
1 148 . 14 1 1 A 20 20 ASP H H 20 8.686 9.201 -0.515 1
1 149 . 14 1 1 A 20 20 ASP CA C 20 53.226 53.142 0.084 1
1 150 . 14 1 1 A 20 20 ASP HA H 20 4.539 5.020 -0.481 1
1 151 . 14 1 1 A 20 20 ASP CB C 20 41.490 44.540 -3.050 1
1 153 . 14 1 1 A 20 20 ASP C C 20 176.349 176.158 0.191 1
1 155 . 14 1 1 A 21 21 ALA N N 21 127.255 127.201 0.054 1
1 156 . 14 1 1 A 21 21 ALA H H 21 9.404 9.095 0.309 1
1 157 . 14 1 1 A 21 21 ALA CA C 21 55.157 55.544 -0.387 1
1 158 . 14 1 1 A 21 21 ALA HA H 21 4.204 4.233 -0.029 1
1 159 . 14 1 1 A 21 21 ALA CB C 21 19.890 18.434 1.456 1
1 163 . 14 1 1 A 21 21 ALA C C 21 178.113 179.581 -1.468 1
1 164 . 14 1 1 A 22 22 SER N N 22 110.959 112.844 -1.885 1
1 165 . 14 1 1 A 22 22 SER H H 22 8.397 8.268 0.129 1
1 166 . 14 1 1 A 22 22 SER CA C 22 60.794 61.062 -0.268 1
1 167 . 14 1 1 A 22 22 SER HA H 22 4.363 4.137 0.226 1
1 168 . 14 1 1 A 22 22 SER CB C 22 62.850 63.090 -0.240 1
1 170 . 14 1 1 A 22 22 SER C C 22 175.425 175.830 -0.405 1
1 172 . 14 1 1 A 23 23 LYS N N 23 119.671 117.414 2.257 1
1 173 . 14 1 1 A 23 23 LYS H H 23 7.366 7.600 -0.234 1
1 174 . 14 1 1 A 23 23 LYS CA C 23 54.818 55.988 -1.170 1
1 175 . 14 1 1 A 23 23 LYS HA H 23 4.368 4.358 0.010 1
1 176 . 14 1 1 A 23 23 LYS CB C 23 33.063 32.635 0.428 1
1 184 . 14 1 1 A 23 23 LYS C C 23 176.544 174.877 1.667 1
1 189 . 14 1 1 A 24 24 VAL N N 24 123.377 120.302 3.075 1
1 190 . 14 1 1 A 24 24 VAL H H 24 7.392 7.581 -0.189 1
1 191 . 14 1 1 A 24 24 VAL CA C 24 62.722 61.342 1.380 1
1 192 . 14 1 1 A 24 24 VAL HA H 24 4.184 4.520 -0.336 1
1 193 . 14 1 1 A 24 24 VAL CB C 24 31.780 33.897 -2.117 1
1 203 . 14 1 1 A 24 24 VAL C C 24 175.644 175.307 0.337 1
1 204 . 14 1 1 A 25 25 THR N N 25 117.441 118.316 -0.875 1
1 205 . 14 1 1 A 25 25 THR H H 25 8.384 8.503 -0.119 1
1 206 . 14 1 1 A 25 25 THR CA C 25 59.858 60.606 -0.748 1
1 207 . 14 1 1 A 25 25 THR HA H 25 4.784 5.170 -0.386 1
1 208 . 14 1 1 A 25 25 THR CB C 25 71.687 71.448 0.239 1
1 214 . 14 1 1 A 25 25 THR C C 25 172.360 173.555 -1.195 1
1 215 . 14 1 1 A 26 26 ALA N N 26 123.956 125.531 -1.575 1
1 216 . 14 1 1 A 26 26 ALA H H 26 8.440 9.055 -0.615 1
1 217 . 14 1 1 A 26 26 ALA CA C 26 51.022 50.391 0.631 1
1 218 . 14 1 1 A 26 26 ALA HA H 26 5.575 5.613 -0.038 1
1 219 . 14 1 1 A 26 26 ALA CB C 26 22.576 23.249 -0.673 1
1 223 . 14 1 1 A 26 26 ALA C C 26 176.301 175.671 0.630 1
1 224 . 14 1 1 A 27 27 SER N N 27 114.430 114.212 0.218 1
1 225 . 14 1 1 A 27 27 SER H H 27 9.021 8.536 0.485 1
1 226 . 14 1 1 A 27 27 SER CA C 27 57.771 57.184 0.587 1
1 227 . 14 1 1 A 27 27 SER HA H 27 4.745 5.205 -0.460 1
1 228 . 14 1 1 A 27 27 SER CB C 27 65.911 67.478 -1.567 1
1 230 . 14 1 1 A 27 27 SER C C 27 172.798 173.039 -0.241 1
1 232 . 14 1 1 A 28 28 GLY N N 28 108.618 110.125 -1.507 1
1 233 . 14 1 1 A 28 28 GLY H H 28 8.516 8.472 0.044 1
1 234 . 14 1 1 A 28 28 GLY CA C 28 44.966 44.297 0.669 1
1 235 . 14 1 1 A 28 28 GLY HA3 H 28 4.102 4.307 -0.205 1
1 236 . 14 1 1 A 28 28 GLY C C 28 173.392 174.029 -0.637 1
1 237 . 14 1 1 A 28 28 GLY HA2 H 28 5.026 4.269 0.757 1
1 238 . 14 1 1 A 29 29 PRO CA C 29 65.446 65.037 0.409 1
1 239 . 14 1 1 A 29 29 PRO HA H 29 4.399 4.460 -0.061 1
1 240 . 14 1 1 A 29 29 PRO CB C 29 31.739 32.083 -0.344 1
1 246 . 14 1 1 A 29 29 PRO C C 29 179.804 178.595 1.209 1
1 250 . 14 1 1 A 30 30 GLY N N 30 103.199 106.065 -2.866 1
1 251 . 14 1 1 A 30 30 GLY H H 30 9.156 8.585 0.571 1
1 252 . 14 1 1 A 30 30 GLY CA C 30 46.458 47.038 -0.580 1
1 253 . 14 1 1 A 30 30 GLY HA3 H 30 3.331 4.373 -1.042 1
1 254 . 14 1 1 A 30 30 GLY C C 30 171.694 174.736 -3.042 1
1 255 . 14 1 1 A 30 30 GLY HA2 H 30 4.062 4.250 -0.188 1
1 256 . 14 1 1 A 31 31 LEU N N 31 116.112 119.684 -3.572 1
1 257 . 14 1 1 A 31 31 LEU H H 31 7.351 7.827 -0.476 1
1 258 . 14 1 1 A 31 31 LEU CA C 31 52.607 54.229 -1.622 1
1 259 . 14 1 1 A 31 31 LEU HA H 31 4.269 4.597 -0.328 1
1 260 . 14 1 1 A 31 31 LEU CB C 31 41.265 42.133 -0.868 1
1 272 . 14 1 1 A 31 31 LEU C C 31 176.751 176.235 0.516 1
1 274 . 14 1 1 A 32 32 SER N N 32 114.056 117.945 -3.889 1
1 275 . 14 1 1 A 32 32 SER H H 32 6.986 7.877 -0.891 1
1 276 . 14 1 1 A 32 32 SER CA C 32 58.750 58.129 0.621 1
1 277 . 14 1 1 A 32 32 SER HA H 32 4.268 4.475 -0.207 1
1 278 . 14 1 1 A 32 32 SER CB C 32 64.571 64.116 0.455 1
1 280 . 14 1 1 A 32 32 SER C C 32 176.483 175.382 1.101 1
1 282 . 14 1 1 A 33 33 SER N N 33 123.249 123.536 -0.287 1
1 283 . 14 1 1 A 33 33 SER H H 33 8.887 8.930 -0.043 1
1 284 . 14 1 1 A 33 33 SER CA C 33 60.176 61.527 -1.351 1
1 285 . 14 1 1 A 33 33 SER HA H 33 4.409 4.032 0.377 1
1 286 . 14 1 1 A 33 33 SER CB C 33 63.098 62.274 0.824 1
1 288 . 14 1 1 A 33 33 SER C C 33 174.922 175.943 -1.021 1
1 290 . 14 1 1 A 34 34 TYR N N 34 120.641 119.927 0.714 1
1 291 . 14 1 1 A 34 34 TYR H H 34 8.225 7.852 0.373 1
1 292 . 14 1 1 A 34 34 TYR CA C 34 58.266 60.264 -1.998 1
1 293 . 14 1 1 A 34 34 TYR HA H 34 4.622 4.342 0.280 1
1 294 . 14 1 1 A 34 34 TYR CB C 34 38.478 38.686 -0.208 1
1 304 . 14 1 1 A 34 34 TYR C C 34 175.881 176.134 -0.253 1
1 306 . 14 1 1 A 35 35 GLY N N 35 109.142 105.337 3.805 1
1 307 . 14 1 1 A 35 35 GLY H H 35 7.416 7.160 0.256 1
1 308 . 14 1 1 A 35 35 GLY CA C 35 44.524 44.792 -0.268 1
1 309 . 14 1 1 A 35 35 GLY HA3 H 35 4.411 4.123 0.288 1
1 310 . 14 1 1 A 35 35 GLY C C 35 172.956 172.132 0.824 1
1 311 . 14 1 1 A 35 35 GLY HA2 H 35 4.324 4.122 0.202 1
1 312 . 14 1 1 A 36 36 VAL N N 36 116.841 116.105 0.736 1
1 313 . 14 1 1 A 36 36 VAL H H 36 8.617 8.488 0.129 1
1 314 . 14 1 1 A 36 36 VAL CA C 36 57.700 58.137 -0.437 1
1 315 . 14 1 1 A 36 36 VAL HA H 36 4.880 5.016 -0.136 1
1 316 . 14 1 1 A 36 36 VAL CB C 36 33.474 33.830 -0.356 1
1 326 . 14 1 1 A 36 36 VAL C C 36 173.489 173.580 -0.091 1
1 327 . 14 1 1 A 37 37 PRO CA C 37 62.200 62.287 -0.087 1
1 328 . 14 1 1 A 37 37 PRO HA H 37 4.646 4.750 -0.104 1
1 329 . 14 1 1 A 37 37 PRO CB C 37 31.876 31.672 0.204 1
1 335 . 14 1 1 A 37 37 PRO C C 37 177.148 177.046 0.102 1
1 339 . 14 1 1 A 38 38 ALA N N 38 124.330 125.028 -0.698 1
1 340 . 14 1 1 A 38 38 ALA H H 38 8.591 7.966 0.625 1
1 341 . 14 1 1 A 38 38 ALA CA C 38 52.606 52.381 0.225 1
1 342 . 14 1 1 A 38 38 ALA HA H 38 4.189 4.286 -0.097 1
1 343 . 14 1 1 A 38 38 ALA CB C 38 18.928 19.950 -1.022 1
1 347 . 14 1 1 A 38 38 ALA C C 38 178.418 178.225 0.193 1
1 348 . 14 1 1 A 39 39 SER N N 39 109.435 115.181 -5.746 1
1 349 . 14 1 1 A 39 39 SER H H 39 8.687 8.722 -0.035 1
1 350 . 14 1 1 A 39 39 SER CA C 39 61.147 59.103 2.044 1
1 351 . 14 1 1 A 39 39 SER HA H 39 3.770 4.073 -0.303 1
1 352 . 14 1 1 A 39 39 SER CB C 39 62.322 61.659 0.663 1
1 354 . 14 1 1 A 39 39 SER C C 39 172.372 173.292 -0.920 1
1 356 . 14 1 1 A 40 40 LEU N N 40 121.668 120.967 0.701 1
1 357 . 14 1 1 A 40 40 LEU H H 40 6.981 7.712 -0.731 1
1 358 . 14 1 1 A 40 40 LEU CA C 40 51.707 51.030 0.677 1
1 359 . 14 1 1 A 40 40 LEU HA H 40 4.890 4.737 0.153 1
1 360 . 14 1 1 A 40 40 LEU CB C 40 43.441 45.628 -2.187 1
1 372 . 14 1 1 A 40 40 LEU C C 40 173.635 174.063 -0.428 1
1 374 . 14 1 1 A 41 41 PRO CA C 41 62.683 62.411 0.272 1
1 375 . 14 1 1 A 41 41 PRO HA H 41 4.490 4.654 -0.164 1
1 376 . 14 1 1 A 41 41 PRO CB C 41 31.415 30.703 0.712 1
1 382 . 14 1 1 A 41 41 PRO C C 41 175.540 175.168 0.372 1
1 386 . 14 1 1 A 42 42 VAL N N 42 124.505 122.579 1.926 1
1 387 . 14 1 1 A 42 42 VAL H H 42 8.917 7.774 1.143 1
1 388 . 14 1 1 A 42 42 VAL CA C 42 60.282 59.524 0.758 1
1 389 . 14 1 1 A 42 42 VAL HA H 42 4.408 4.629 -0.221 1
1 390 . 14 1 1 A 42 42 VAL CB C 42 34.522 34.308 0.214 1
1 400 . 14 1 1 A 42 42 VAL C C 42 171.180 174.303 -3.123 1
1 401 . 14 1 1 A 43 43 ASP N N 43 121.538 126.944 -5.406 1
1 402 . 14 1 1 A 43 43 ASP H H 43 7.549 9.114 -1.565 1
1 403 . 14 1 1 A 43 43 ASP CA C 43 51.968 52.370 -0.402 1
1 404 . 14 1 1 A 43 43 ASP HA H 43 6.324 5.754 0.570 1
1 405 . 14 1 1 A 43 43 ASP CB C 43 44.949 44.798 0.151 1
1 407 . 14 1 1 A 43 43 ASP C C 43 177.711 174.702 3.009 1
1 409 . 14 1 1 A 44 44 PHE N N 44 112.517 116.828 -4.311 1
1 410 . 14 1 1 A 44 44 PHE H H 44 9.044 7.809 1.235 1
1 411 . 14 1 1 A 44 44 PHE CA C 44 57.658 55.013 2.645 1
1 412 . 14 1 1 A 44 44 PHE HA H 44 5.069 5.531 -0.462 1
1 413 . 14 1 1 A 44 44 PHE CB C 44 41.220 41.990 -0.770 1
1 425 . 14 1 1 A 44 44 PHE C C 44 171.679 173.114 -1.435 1
1 427 . 14 1 1 A 45 45 ALA N N 45 123.935 121.259 2.676 1
1 428 . 14 1 1 A 45 45 ALA H H 45 9.468 8.996 0.472 1
1 429 . 14 1 1 A 45 45 ALA CA C 45 50.855 50.578 0.277 1
1 430 . 14 1 1 A 45 45 ALA HA H 45 5.379 5.364 0.015 1
1 431 . 14 1 1 A 45 45 ALA CB C 45 22.496 22.204 0.292 1
1 435 . 14 1 1 A 45 45 ALA C C 45 176.715 175.764 0.951 1
1 436 . 14 1 1 A 46 46 ILE N N 46 119.530 123.507 -3.977 1
1 437 . 14 1 1 A 46 46 ILE H H 46 8.686 9.261 -0.575 1
1 438 . 14 1 1 A 46 46 ILE CA C 46 59.561 60.805 -1.244 1
1 439 . 14 1 1 A 46 46 ILE HA H 46 4.863 4.734 0.129 1
1 440 . 14 1 1 A 46 46 ILE CB C 46 41.370 38.002 3.368 1
1 452 . 14 1 1 A 46 46 ILE C C 46 174.379 174.553 -0.174 1
1 454 . 14 1 1 A 47 47 ASP N N 47 127.143 127.995 -0.852 1
1 455 . 14 1 1 A 47 47 ASP H H 47 9.281 8.691 0.590 1
1 456 . 14 1 1 A 47 47 ASP CA C 47 53.297 52.531 0.766 1
1 457 . 14 1 1 A 47 47 ASP HA H 47 4.976 5.376 -0.400 1
1 458 . 14 1 1 A 47 47 ASP CB C 47 41.371 42.046 -0.675 1
1 460 . 14 1 1 A 47 47 ASP C C 47 174.962 175.029 -0.067 1
1 462 . 14 1 1 A 48 48 ALA N N 48 129.371 127.224 2.147 1
1 463 . 14 1 1 A 48 48 ALA H H 48 9.078 8.531 0.547 1
1 464 . 14 1 1 A 48 48 ALA CA C 48 50.554 50.650 -0.096 1
1 465 . 14 1 1 A 48 48 ALA HA H 48 4.641 5.006 -0.365 1
1 466 . 14 1 1 A 48 48 ALA CB C 48 19.699 20.729 -1.030 1
1 470 . 14 1 1 A 48 48 ALA C C 48 179.317 178.114 1.203 1
1 471 . 14 1 1 A 49 49 ARG N N 49 122.060 121.820 0.240 1
1 472 . 14 1 1 A 49 49 ARG H H 49 8.590 8.752 -0.162 1
1 473 . 14 1 1 A 49 49 ARG CA C 49 60.964 58.370 2.594 1
1 474 . 14 1 1 A 49 49 ARG HA H 49 3.987 4.380 -0.393 1
1 475 . 14 1 1 A 49 49 ARG CB C 49 30.654 30.685 -0.031 1
1 483 . 14 1 1 A 49 49 ARG C C 49 178.077 176.594 1.483 1
1 487 . 14 1 1 A 50 50 ASP N N 50 116.664 117.915 -1.251 1
1 488 . 14 1 1 A 50 50 ASP H H 50 8.794 8.046 0.748 1
1 489 . 14 1 1 A 50 50 ASP CA C 50 53.827 53.625 0.202 1
1 490 . 14 1 1 A 50 50 ASP HA H 50 5.040 4.948 0.092 1
1 491 . 14 1 1 A 50 50 ASP CB C 50 41.595 41.637 -0.042 1
1 493 . 14 1 1 A 50 50 ASP C C 50 175.754 176.408 -0.654 1
1 495 . 14 1 1 A 51 51 ALA N N 51 121.173 121.535 -0.362 1
1 496 . 14 1 1 A 51 51 ALA H H 51 7.406 7.776 -0.370 1
1 497 . 14 1 1 A 51 51 ALA CA C 51 52.147 52.213 -0.066 1
1 498 . 14 1 1 A 51 51 ALA HA H 51 4.414 4.599 -0.185 1
1 499 . 14 1 1 A 51 51 ALA CB C 51 23.427 20.179 3.248 1
1 503 . 14 1 1 A 51 51 ALA C C 51 176.763 178.357 -1.594 1
1 504 . 14 1 1 A 52 52 GLY N N 52 108.187 106.434 1.753 1
1 505 . 14 1 1 A 52 52 GLY H H 52 8.521 7.926 0.595 1
1 506 . 14 1 1 A 52 52 GLY CA C 52 45.210 45.919 -0.709 1
1 507 . 14 1 1 A 52 52 GLY HA3 H 52 3.859 4.138 -0.279 1
1 508 . 14 1 1 A 52 52 GLY C C 52 175.060 173.422 1.638 1
1 509 . 14 1 1 A 52 52 GLY HA2 H 52 4.492 4.085 0.407 1
1 510 . 14 1 1 A 53 53 GLU N N 53 124.810 123.052 1.758 1
1 511 . 14 1 1 A 53 53 GLU H H 53 8.643 8.779 -0.136 1
1 512 . 14 1 1 A 53 53 GLU CA C 53 56.352 54.925 1.427 1
1 513 . 14 1 1 A 53 53 GLU HA H 53 4.663 5.678 -1.015 1
1 514 . 14 1 1 A 53 53 GLU CB C 53 31.164 32.912 -1.748 1
1 518 . 14 1 1 A 53 53 GLU C C 53 173.491 175.622 -2.131 1
1 521 . 14 1 1 A 54 54 GLY N N 54 111.417 111.925 -0.508 1
1 522 . 14 1 1 A 54 54 GLY H H 54 7.465 7.984 -0.519 1
1 523 . 14 1 1 A 54 54 GLY CA C 54 43.622 44.559 -0.937 1
1 524 . 14 1 1 A 54 54 GLY HA3 H 54 2.287 3.784 -1.497 1
1 525 . 14 1 1 A 54 54 GLY C C 54 170.013 171.488 -1.475 1
1 526 . 14 1 1 A 54 54 GLY HA2 H 54 3.819 3.351 0.468 1
1 527 . 14 1 1 A 55 55 LEU N N 55 117.446 122.456 -5.010 1
1 528 . 14 1 1 A 55 55 LEU H H 55 7.461 7.854 -0.393 1
1 529 . 14 1 1 A 55 55 LEU CA C 55 54.041 54.917 -0.876 1
1 530 . 14 1 1 A 55 55 LEU HA H 55 4.293 4.053 0.240 1
1 531 . 14 1 1 A 55 55 LEU CB C 55 42.832 42.228 0.604 1
1 543 . 14 1 1 A 55 55 LEU C C 55 176.872 175.519 1.353 1
1 545 . 14 1 1 A 56 56 LEU N N 56 131.840 128.444 3.396 1
1 546 . 14 1 1 A 56 56 LEU H H 56 8.791 8.441 0.350 1
1 547 . 14 1 1 A 56 56 LEU CA C 56 53.807 54.168 -0.361 1
1 548 . 14 1 1 A 56 56 LEU HA H 56 5.053 4.855 0.198 1
1 549 . 14 1 1 A 56 56 LEU CB C 56 43.113 43.660 -0.547 1
1 561 . 14 1 1 A 56 56 LEU C C 56 175.389 174.861 0.528 1
1 563 . 14 1 1 A 57 57 ALA N N 57 130.035 128.807 1.228 1
1 564 . 14 1 1 A 57 57 ALA H H 57 8.880 8.420 0.460 1
1 565 . 14 1 1 A 57 57 ALA CA C 57 51.758 50.869 0.889 1
1 566 . 14 1 1 A 57 57 ALA HA H 57 4.641 5.108 -0.467 1
1 567 . 14 1 1 A 57 57 ALA CB C 57 21.820 22.356 -0.536 1
1 571 . 14 1 1 A 57 57 ALA C C 57 174.647 175.482 -0.835 1
1 572 . 14 1 1 A 58 58 VAL N N 58 120.958 123.148 -2.190 1
1 573 . 14 1 1 A 58 58 VAL H H 58 8.443 8.855 -0.412 1
1 574 . 14 1 1 A 58 58 VAL CA C 58 60.495 61.554 -1.059 1
1 575 . 14 1 1 A 58 58 VAL HA H 58 4.988 4.655 0.333 1
1 576 . 14 1 1 A 58 58 VAL CB C 58 34.639 32.843 1.796 1
1 586 . 14 1 1 A 58 58 VAL C C 58 174.646 174.682 -0.036 1
1 587 . 14 1 1 A 59 59 GLN N N 59 127.048 127.475 -0.427 1
1 588 . 14 1 1 A 59 59 GLN H H 59 9.196 8.993 0.203 1
1 589 . 14 1 1 A 59 59 GLN CA C 59 54.587 54.269 0.318 1
1 590 . 14 1 1 A 59 59 GLN HA H 59 4.706 5.185 -0.479 1
1 591 . 14 1 1 A 59 59 GLN CB C 59 31.580 31.848 -0.268 1
1 598 . 14 1 1 A 59 59 GLN C C 59 174.197 174.195 0.002 1
1 601 . 14 1 1 A 60 60 ILE N N 60 127.617 127.201 0.416 1
1 602 . 14 1 1 A 60 60 ILE H H 60 9.299 9.049 0.250 1
1 603 . 14 1 1 A 60 60 ILE CA C 60 60.506 60.232 0.274 1
1 604 . 14 1 1 A 60 60 ILE HA H 60 5.210 5.050 0.160 1
1 605 . 14 1 1 A 60 60 ILE CB C 60 39.172 41.137 -1.965 1
1 617 . 14 1 1 A 60 60 ILE C C 60 175.608 175.256 0.352 1
1 619 . 14 1 1 A 61 61 THR N N 61 119.733 118.146 1.587 1
1 620 . 14 1 1 A 61 61 THR H H 61 8.924 8.635 0.289 1
1 621 . 14 1 1 A 61 61 THR CA C 61 59.565 59.374 0.191 1
1 622 . 14 1 1 A 61 61 THR HA H 61 5.173 5.625 -0.452 1
1 623 . 14 1 1 A 61 61 THR CB C 61 72.121 71.975 0.146 1
1 629 . 14 1 1 A 61 61 THR C C 61 174.051 172.618 1.433 1
1 630 . 14 1 1 A 62 62 ASP N N 62 122.337 123.954 -1.617 1
1 631 . 14 1 1 A 62 62 ASP H H 62 8.484 8.409 0.075 1
1 632 . 14 1 1 A 62 62 ASP CA C 62 52.200 52.601 -0.401 1
1 633 . 14 1 1 A 62 62 ASP HA H 62 4.425 5.029 -0.604 1
1 634 . 14 1 1 A 62 62 ASP CB C 62 42.222 43.075 -0.853 1
1 636 . 14 1 1 A 62 62 ASP C C 62 179.086 177.537 1.549 1
1 638 . 14 1 1 A 63 63 GLN N N 63 118.341 121.693 -3.352 1
1 639 . 14 1 1 A 63 63 GLN H H 63 8.250 8.776 -0.526 1
1 640 . 14 1 1 A 63 63 GLN CA C 63 58.406 58.503 -0.097 1
1 641 . 14 1 1 A 63 63 GLN HA H 63 4.049 4.084 -0.035 1
1 642 . 14 1 1 A 63 63 GLN CB C 63 28.127 28.114 0.013 1
1 649 . 14 1 1 A 63 63 GLN C C 63 177.152 178.214 -1.062 1
1 652 . 14 1 1 A 64 64 GLU N N 64 119.134 118.636 0.498 1
1 653 . 14 1 1 A 64 64 GLU H H 64 8.120 7.764 0.356 1
1 654 . 14 1 1 A 64 64 GLU CA C 64 55.790 56.914 -1.124 1
1 655 . 14 1 1 A 64 64 GLU HA H 64 4.423 4.383 0.040 1
1 656 . 14 1 1 A 64 64 GLU CB C 64 30.102 30.354 -0.252 1
1 660 . 14 1 1 A 64 64 GLU C C 64 176.374 176.684 -0.310 1
1 663 . 14 1 1 A 65 65 GLY N N 65 108.728 107.997 0.731 1
1 664 . 14 1 1 A 65 65 GLY H H 65 8.306 7.951 0.355 1
1 665 . 14 1 1 A 65 65 GLY CA C 65 45.285 45.840 -0.555 1
1 666 . 14 1 1 A 65 65 GLY HA3 H 65 3.561 4.020 -0.459 1
1 667 . 14 1 1 A 65 65 GLY C C 65 174.342 174.214 0.128 1
1 668 . 14 1 1 A 65 65 GLY HA2 H 65 4.203 4.010 0.193 1
1 669 . 14 1 1 A 66 66 LYS N N 66 123.502 119.653 3.849 1
1 670 . 14 1 1 A 66 66 LYS H H 66 8.528 7.824 0.704 1
1 671 . 14 1 1 A 66 66 LYS CA C 66 53.738 53.227 0.511 1
1 672 . 14 1 1 A 66 66 LYS HA H 66 4.613 4.718 -0.105 1
1 673 . 14 1 1 A 66 66 LYS CB C 66 31.167 32.325 -1.158 1
1 681 . 14 1 1 A 66 66 LYS C C 66 174.752 174.265 0.487 1
1 686 . 14 1 1 A 67 67 PRO CA C 67 62.433 62.705 -0.272 1
1 687 . 14 1 1 A 67 67 PRO HA H 67 5.062 4.750 0.312 1
1 688 . 14 1 1 A 67 67 PRO CB C 67 32.725 31.936 0.789 1
1 694 . 14 1 1 A 67 67 PRO C C 67 177.270 176.191 1.079 1
1 698 . 14 1 1 A 68 68 LYS N N 68 121.461 121.742 -0.281 1
1 699 . 14 1 1 A 68 68 LYS H H 68 8.419 8.521 -0.102 1
1 700 . 14 1 1 A 68 68 LYS CA C 68 52.023 54.720 -2.697 1
1 701 . 14 1 1 A 68 68 LYS HA H 68 4.797 4.804 -0.007 1
1 702 . 14 1 1 A 68 68 LYS CB C 68 32.611 36.106 -3.495 1
1 710 . 14 1 1 A 68 68 LYS C C 68 175.389 175.366 0.023 1
1 715 . 14 1 1 A 69 69 ARG N N 69 124.040 125.050 -1.010 1
1 716 . 14 1 1 A 69 69 ARG H H 69 8.683 8.640 0.043 1
1 717 . 14 1 1 A 69 69 ARG CA C 69 57.045 56.783 0.262 1
1 718 . 14 1 1 A 69 69 ARG HA H 69 4.221 4.539 -0.318 1
1 719 . 14 1 1 A 69 69 ARG CB C 69 30.712 30.777 -0.065 1
1 725 . 14 1 1 A 69 69 ARG C C 69 174.877 175.342 -0.465 1
1 729 . 14 1 1 A 70 70 ALA N N 70 127.074 126.250 0.824 1
1 730 . 14 1 1 A 70 70 ALA H H 70 8.421 8.489 -0.068 1
1 731 . 14 1 1 A 70 70 ALA CA C 70 50.360 50.705 -0.345 1
1 732 . 14 1 1 A 70 70 ALA HA H 70 4.859 5.115 -0.256 1
1 733 . 14 1 1 A 70 70 ALA CB C 70 20.569 23.057 -2.488 1
1 737 . 14 1 1 A 70 70 ALA C C 70 176.313 175.709 0.604 1
1 738 . 14 1 1 A 71 71 ILE N N 71 124.496 121.292 3.204 1
1 739 . 14 1 1 A 71 71 ILE H H 71 8.943 8.414 0.529 1
1 740 . 14 1 1 A 71 71 ILE CA C 71 60.870 60.696 0.174 1
1 741 . 14 1 1 A 71 71 ILE HA H 71 4.195 4.485 -0.290 1
1 742 . 14 1 1 A 71 71 ILE CB C 71 38.457 38.199 0.258 1
1 754 . 14 1 1 A 71 71 ILE C C 71 175.027 175.264 -0.237 1
1 756 . 14 1 1 A 72 72 VAL N N 72 128.410 125.498 2.912 1
1 757 . 14 1 1 A 72 72 VAL H H 72 8.714 8.780 -0.066 1
1 758 . 14 1 1 A 72 72 VAL CA C 72 61.867 60.079 1.788 1
1 759 . 14 1 1 A 72 72 VAL HA H 72 4.478 4.880 -0.402 1
1 760 . 14 1 1 A 72 72 VAL CB C 72 32.745 34.059 -1.314 1
1 770 . 14 1 1 A 72 72 VAL C C 72 175.279 173.575 1.704 1
1 771 . 14 1 1 A 73 73 HIS N N 73 129.084 128.846 0.238 1
1 772 . 14 1 1 A 73 73 HIS H H 73 9.783 9.109 0.674 1
1 773 . 14 1 1 A 73 73 HIS CA C 73 55.366 54.790 0.576 1
1 774 . 14 1 1 A 73 73 HIS HA H 73 4.849 5.134 -0.285 1
1 775 . 14 1 1 A 73 73 HIS CB C 73 31.465 31.809 -0.344 1
1 781 . 14 1 1 A 73 73 HIS C C 73 173.491 173.584 -0.093 1
1 783 . 14 1 1 A 74 74 ASP N N 74 127.118 124.050 3.068 1
1 784 . 14 1 1 A 74 74 ASP H H 74 8.541 8.678 -0.137 1
1 785 . 14 1 1 A 74 74 ASP CA C 74 53.048 52.808 0.240 1
1 786 . 14 1 1 A 74 74 ASP HA H 74 4.476 5.272 -0.796 1
1 787 . 14 1 1 A 74 74 ASP CB C 74 41.554 42.114 -0.560 1
1 789 . 14 1 1 A 74 74 ASP C C 74 175.936 175.865 0.071 1
1 791 . 14 1 1 A 75 75 ASN N N 75 124.002 122.739 1.263 1
1 792 . 14 1 1 A 75 75 ASN H H 75 7.827 8.720 -0.893 1
1 793 . 14 1 1 A 75 75 ASN CA C 75 54.517 53.150 1.367 1
1 794 . 14 1 1 A 75 75 ASN HA H 75 4.572 4.658 -0.086 1
1 795 . 14 1 1 A 75 75 ASN CB C 75 38.091 39.314 -1.223 1
1 800 . 14 1 1 A 75 75 ASN C C 75 175.352 174.788 0.564 1
1 802 . 14 1 1 A 76 76 LYS N N 76 114.689 115.354 -0.665 1
1 803 . 14 1 1 A 76 76 LYS H H 76 9.246 7.624 1.622 1
1 804 . 14 1 1 A 76 76 LYS CA C 76 57.428 57.165 0.263 1
1 805 . 14 1 1 A 76 76 LYS HA H 76 3.882 3.851 0.031 1
1 806 . 14 1 1 A 76 76 LYS CB C 76 28.223 28.978 -0.755 1
1 814 . 14 1 1 A 76 76 LYS C C 76 174.975 176.003 -1.028 1
1 819 . 14 1 1 A 77 77 ASP N N 77 117.462 117.922 -0.460 1
1 820 . 14 1 1 A 77 77 ASP H H 77 7.831 8.449 -0.618 1
1 821 . 14 1 1 A 77 77 ASP CA C 77 52.168 53.089 -0.921 1
1 822 . 14 1 1 A 77 77 ASP HA H 77 4.706 4.815 -0.109 1
1 823 . 14 1 1 A 77 77 ASP CB C 77 41.224 41.476 -0.252 1
1 825 . 14 1 1 A 77 77 ASP C C 77 176.739 176.353 0.386 1
1 827 . 14 1 1 A 78 78 GLY N N 78 109.485 107.891 1.594 1
1 828 . 14 1 1 A 78 78 GLY H H 78 8.658 8.028 0.630 1
1 829 . 14 1 1 A 78 78 GLY CA C 78 45.568 45.176 0.392 1
1 830 . 14 1 1 A 78 78 GLY HA3 H 78 3.698 3.959 -0.261 1
1 831 . 14 1 1 A 78 78 GLY C C 78 172.263 173.985 -1.722 1
1 832 . 14 1 1 A 78 78 GLY HA2 H 78 4.323 3.946 0.377 1
1 833 . 14 1 1 A 79 79 THR N N 79 109.462 111.915 -2.453 1
1 834 . 14 1 1 A 79 79 THR H H 79 8.057 7.646 0.411 1
1 835 . 14 1 1 A 79 79 THR CA C 79 59.989 60.873 -0.884 1
1 836 . 14 1 1 A 79 79 THR HA H 79 5.566 5.068 0.498 1
1 837 . 14 1 1 A 79 79 THR CB C 79 72.712 71.425 1.287 1
1 843 . 14 1 1 A 79 79 THR C C 79 173.868 172.827 1.041 1
1 844 . 14 1 1 A 80 80 TYR N N 80 116.428 119.452 -3.024 1
1 845 . 14 1 1 A 80 80 TYR H H 80 9.085 8.921 0.164 1
1 846 . 14 1 1 A 80 80 TYR CA C 80 56.533 56.483 0.050 1
1 847 . 14 1 1 A 80 80 TYR HA H 80 5.372 5.088 0.284 1
1 848 . 14 1 1 A 80 80 TYR CB C 80 42.831 42.781 0.050 1
1 858 . 14 1 1 A 80 80 TYR C C 80 175.327 174.536 0.791 1
1 860 . 14 1 1 A 81 81 ALA N N 81 126.743 124.956 1.787 1
1 861 . 14 1 1 A 81 81 ALA H H 81 9.302 8.528 0.774 1
1 862 . 14 1 1 A 81 81 ALA CA C 81 51.121 49.945 1.176 1
1 863 . 14 1 1 A 81 81 ALA HA H 81 5.149 5.567 -0.418 1
1 864 . 14 1 1 A 81 81 ALA CB C 81 22.111 22.791 -0.680 1
1 868 . 14 1 1 A 81 81 ALA C C 81 175.505 175.754 -0.249 1
1 869 . 14 1 1 A 82 82 VAL N N 82 124.472 120.893 3.579 1
1 870 . 14 1 1 A 82 82 VAL H H 82 8.940 7.901 1.039 1
1 871 . 14 1 1 A 82 82 VAL CA C 82 60.264 60.985 -0.721 1
1 872 . 14 1 1 A 82 82 VAL HA H 82 5.039 4.634 0.405 1
1 873 . 14 1 1 A 82 82 VAL CB C 82 33.236 34.737 -1.501 1
1 883 . 14 1 1 A 82 82 VAL C C 82 174.517 174.235 0.282 1
1 884 . 14 1 1 A 83 83 THR N N 83 121.500 122.844 -1.344 1
1 885 . 14 1 1 A 83 83 THR H H 83 8.717 8.600 0.117 1
1 886 . 14 1 1 A 83 83 THR CA C 83 61.075 62.348 -1.273 1
1 887 . 14 1 1 A 83 83 THR HA H 83 5.497 5.138 0.359 1
1 888 . 14 1 1 A 83 83 THR CB C 83 72.153 71.012 1.141 1
1 894 . 14 1 1 A 83 83 THR C C 83 173.515 173.653 -0.138 1
1 895 . 14 1 1 A 84 84 TYR N N 84 122.841 120.986 1.855 1
1 896 . 14 1 1 A 84 84 TYR H H 84 9.014 8.840 0.174 1
1 897 . 14 1 1 A 84 84 TYR CA C 84 55.985 55.928 0.057 1
1 898 . 14 1 1 A 84 84 TYR HA H 84 4.979 5.230 -0.251 1
1 899 . 14 1 1 A 84 84 TYR CB C 84 41.967 41.287 0.680 1
1 909 . 14 1 1 A 84 84 TYR C C 84 171.873 172.630 -0.757 1
1 911 . 14 1 1 A 85 85 ILE N N 85 118.254 123.887 -5.633 1
1 912 . 14 1 1 A 85 85 ILE H H 85 8.805 8.848 -0.043 1
1 913 . 14 1 1 A 85 85 ILE CA C 85 57.883 58.148 -0.265 1
1 914 . 14 1 1 A 85 85 ILE HA H 85 4.550 4.494 0.056 1
1 915 . 14 1 1 A 85 85 ILE CB C 85 40.179 38.767 1.412 1
1 927 . 14 1 1 A 85 85 ILE C C 85 174.339 175.014 -0.675 1
1 929 . 14 1 1 A 86 86 PRO CA C 86 61.414 62.265 -0.851 1
1 930 . 14 1 1 A 86 86 PRO HA H 86 4.436 4.673 -0.237 1
1 931 . 14 1 1 A 86 86 PRO CB C 86 30.107 30.295 -0.188 1
1 937 . 14 1 1 A 86 86 PRO C C 86 175.126 176.684 -1.558 1
1 941 . 14 1 1 A 87 87 ASP N N 87 123.447 122.814 0.633 1
1 942 . 14 1 1 A 87 87 ASP H H 87 8.501 8.565 -0.064 1
1 943 . 14 1 1 A 87 87 ASP CA C 87 55.668 57.398 -1.730 1
1 944 . 14 1 1 A 87 87 ASP HA H 87 4.263 4.581 -0.318 1
1 945 . 14 1 1 A 87 87 ASP CB C 87 40.930 42.430 -1.500 1
1 947 . 14 1 1 A 87 87 ASP C C 87 175.182 177.217 -2.035 1
1 949 . 14 1 1 A 88 88 LYS N N 88 116.947 117.558 -0.611 1
1 950 . 14 1 1 A 88 88 LYS H H 88 7.683 7.587 0.096 1
1 951 . 14 1 1 A 88 88 LYS CA C 88 54.995 54.876 0.119 1
1 952 . 14 1 1 A 88 88 LYS HA H 88 4.588 4.491 0.097 1
1 953 . 14 1 1 A 88 88 LYS CB C 88 34.821 31.212 3.609 1
1 961 . 14 1 1 A 88 88 LYS C C 88 177.529 175.883 1.646 1
1 966 . 14 1 1 A 89 89 THR N N 89 114.134 118.554 -4.420 1
1 967 . 14 1 1 A 89 89 THR H H 89 8.588 8.262 0.326 1
1 968 . 14 1 1 A 89 89 THR CA C 89 62.828 62.593 0.235 1
1 969 . 14 1 1 A 89 89 THR HA H 89 4.083 4.186 -0.103 1
1 970 . 14 1 1 A 89 89 THR CB C 89 69.590 68.871 0.719 1
1 976 . 14 1 1 A 89 89 THR C C 89 174.269 174.328 -0.059 1
1 977 . 14 1 1 A 90 90 GLY N N 90 109.440 108.520 0.920 1
1 978 . 14 1 1 A 90 90 GLY H H 90 8.444 8.508 -0.064 1
1 979 . 14 1 1 A 90 90 GLY CA C 90 44.648 44.991 -0.343 1
1 980 . 14 1 1 A 90 90 GLY HA3 H 90 4.467 4.125 0.342 1
1 981 . 14 1 1 A 90 90 GLY C C 90 172.469 172.099 0.370 1
1 982 . 14 1 1 A 90 90 GLY HA2 H 90 3.908 4.061 -0.153 1
1 983 . 14 1 1 A 91 91 ARG N N 91 120.781 123.202 -2.421 1
1 984 . 14 1 1 A 91 91 ARG H H 91 8.271 8.165 0.106 1
1 985 . 14 1 1 A 91 91 ARG CA C 91 56.178 55.072 1.106 1
1 986 . 14 1 1 A 91 91 ARG HA H 91 4.951 4.691 0.260 1
1 987 . 14 1 1 A 91 91 ARG CB C 91 31.986 32.215 -0.229 1
1 993 . 14 1 1 A 91 91 ARG C C 91 175.711 175.002 0.709 1
1 997 . 14 1 1 A 92 92 TYR N N 92 122.381 121.038 1.343 1
1 998 . 14 1 1 A 92 92 TYR H H 92 9.312 8.937 0.375 1
1 999 . 14 1 1 A 92 92 TYR CA C 92 56.886 56.571 0.315 1
1 1000 . 14 1 1 A 92 92 TYR HA H 92 4.960 5.145 -0.185 1
1 1001 . 14 1 1 A 92 92 TYR CB C 92 41.223 42.565 -1.342 1
1 1011 . 14 1 1 A 92 92 TYR C C 92 174.902 174.306 0.596 1
1 1013 . 14 1 1 A 93 93 MET N N 93 121.210 124.133 -2.923 1
1 1014 . 14 1 1 A 93 93 MET H H 93 8.819 8.633 0.186 1
1 1015 . 14 1 1 A 93 93 MET CA C 93 53.745 54.017 -0.272 1
1 1016 . 14 1 1 A 93 93 MET HA H 93 5.346 5.376 -0.030 1
1 1017 . 14 1 1 A 93 93 MET CB C 93 34.220 35.049 -0.829 1
1 1025 . 14 1 1 A 93 93 MET C C 93 175.365 174.476 0.889 1
1 1028 . 14 1 1 A 94 94 ILE N N 94 125.747 126.771 -1.024 1
1 1029 . 14 1 1 A 94 94 ILE H H 94 9.372 8.803 0.569 1
1 1030 . 14 1 1 A 94 94 ILE CA C 94 60.685 59.627 1.058 1
1 1031 . 14 1 1 A 94 94 ILE HA H 94 4.606 5.171 -0.565 1
1 1032 . 14 1 1 A 94 94 ILE CB C 94 39.188 40.091 -0.903 1
1 1044 . 14 1 1 A 94 94 ILE C C 94 174.987 175.370 -0.383 1
1 1046 . 14 1 1 A 95 95 GLY N N 95 116.553 115.046 1.507 1
1 1047 . 14 1 1 A 95 95 GLY H H 95 9.509 9.361 0.148 1
1 1048 . 14 1 1 A 95 95 GLY CA C 95 44.507 45.340 -0.833 1
1 1049 . 14 1 1 A 95 95 GLY HA3 H 95 3.605 4.195 -0.590 1
1 1050 . 14 1 1 A 95 95 GLY C C 95 173.175 171.905 1.270 1
1 1051 . 14 1 1 A 95 95 GLY HA2 H 95 4.606 4.158 0.448 1
1 1052 . 14 1 1 A 96 96 VAL N N 96 127.036 128.104 -1.068 1
1 1053 . 14 1 1 A 96 96 VAL H H 96 9.299 8.957 0.342 1
1 1054 . 14 1 1 A 96 96 VAL CA C 96 61.308 62.469 -1.161 1
1 1055 . 14 1 1 A 96 96 VAL HA H 96 4.889 4.527 0.362 1
1 1056 . 14 1 1 A 96 96 VAL CB C 96 34.145 32.986 1.159 1
1 1066 . 14 1 1 A 96 96 VAL C C 96 174.354 175.384 -1.030 1
1 1067 . 14 1 1 A 97 97 THR N N 97 115.219 117.383 -2.164 1
1 1068 . 14 1 1 A 97 97 THR H H 97 9.018 8.385 0.633 1
1 1069 . 14 1 1 A 97 97 THR CA C 97 57.826 60.081 -2.255 1
1 1070 . 14 1 1 A 97 97 THR HA H 97 5.265 5.162 0.103 1
1 1071 . 14 1 1 A 97 97 THR CB C 97 72.753 71.973 0.780 1
1 1077 . 14 1 1 A 97 97 THR C C 97 173.175 172.721 0.454 1
1 1078 . 14 1 1 A 98 98 TYR N N 98 122.768 123.333 -0.565 1
1 1079 . 14 1 1 A 98 98 TYR H H 98 9.149 9.254 -0.105 1
1 1080 . 14 1 1 A 98 98 TYR CA C 98 57.488 57.349 0.139 1
1 1081 . 14 1 1 A 98 98 TYR HA H 98 5.077 4.899 0.178 1
1 1082 . 14 1 1 A 98 98 TYR CB C 98 43.122 41.451 1.671 1
1 1092 . 14 1 1 A 98 98 TYR C C 98 175.949 175.501 0.448 1
1 1094 . 14 1 1 A 99 99 GLY N N 99 113.994 115.158 -1.164 1
1 1095 . 14 1 1 A 99 99 GLY H H 99 8.402 9.201 -0.799 1
1 1096 . 14 1 1 A 99 99 GLY CA C 99 45.010 46.455 -1.445 1
1 1097 . 14 1 1 A 99 99 GLY HA3 H 99 2.623 3.455 -0.832 1
1 1098 . 14 1 1 A 99 99 GLY C C 99 174.197 175.344 -1.147 1
1 1099 . 14 1 1 A 99 99 GLY HA2 H 99 3.220 3.106 0.114 1
1 1100 . 14 1 1 A 100 100 GLY N N 100 103.115 106.088 -2.973 1
1 1101 . 14 1 1 A 100 100 GLY H H 100 8.288 8.574 -0.286 1
1 1102 . 14 1 1 A 100 100 GLY CA C 100 44.170 46.413 -2.243 1
1 1103 . 14 1 1 A 100 100 GLY HA3 H 100 4.265 3.901 0.364 1
1 1104 . 14 1 1 A 100 100 GLY C C 100 173.054 173.349 -0.295 1
1 1105 . 14 1 1 A 100 100 GLY HA2 H 100 3.284 3.890 -0.606 1
1 1106 . 14 1 1 A 101 101 ASP N N 101 120.566 119.556 1.010 1
1 1107 . 14 1 1 A 101 101 ASP H H 101 7.245 7.950 -0.705 1
1 1108 . 14 1 1 A 101 101 ASP CA C 101 52.908 53.199 -0.291 1
1 1109 . 14 1 1 A 101 101 ASP HA H 101 5.012 5.124 -0.112 1
1 1110 . 14 1 1 A 101 101 ASP CB C 101 42.831 44.176 -1.345 1
1 1112 . 14 1 1 A 101 101 ASP C C 101 175.182 175.279 -0.097 1
1 1114 . 14 1 1 A 102 102 ASP N N 102 122.668 125.283 -2.615 1
1 1115 . 14 1 1 A 102 102 ASP H H 102 8.597 8.953 -0.356 1
1 1116 . 14 1 1 A 102 102 ASP CA C 102 56.233 54.360 1.873 1
1 1117 . 14 1 1 A 102 102 ASP HA H 102 4.667 4.808 -0.141 1
1 1118 . 14 1 1 A 102 102 ASP CB C 102 42.373 41.190 1.183 1
1 1120 . 14 1 1 A 102 102 ASP C C 102 176.970 176.142 0.828 1
1 1122 . 14 1 1 A 103 103 ILE N N 103 117.672 118.317 -0.645 1
1 1123 . 14 1 1 A 103 103 ILE H H 103 7.887 8.480 -0.593 1
1 1124 . 14 1 1 A 103 103 ILE CA C 103 61.025 59.697 1.328 1
1 1125 . 14 1 1 A 103 103 ILE HA H 103 4.526 4.610 -0.084 1
1 1126 . 14 1 1 A 103 103 ILE CB C 103 35.534 37.603 -2.069 1
1 1138 . 14 1 1 A 103 103 ILE C C 103 173.902 176.444 -2.542 1
1 1140 . 14 1 1 A 104 104 PRO CA C 104 66.456 64.141 2.315 1
1 1141 . 14 1 1 A 104 104 PRO HA H 104 4.177 4.526 -0.349 1
1 1142 . 14 1 1 A 104 104 PRO CB C 104 31.709 31.489 0.220 1
1 1151 . 14 1 1 A 105 105 LEU N N 105 115.386 117.690 -2.304 1
1 1152 . 14 1 1 A 105 105 LEU H H 105 8.464 7.908 0.556 1
1 1153 . 14 1 1 A 105 105 LEU CA C 105 55.294 55.585 -0.291 1
1 1154 . 14 1 1 A 105 105 LEU HA H 105 3.845 4.267 -0.422 1
1 1155 . 14 1 1 A 105 105 LEU CB C 105 39.148 42.622 -3.474 1
1 1168 . 14 1 1 A 106 106 SER N N 106 111.669 113.846 -2.177 1
1 1169 . 14 1 1 A 106 106 SER H H 106 7.338 7.298 0.040 1
1 1170 . 14 1 1 A 106 106 SER CA C 106 54.750 56.679 -1.929 1
1 1171 . 14 1 1 A 106 106 SER HA H 106 4.347 4.586 -0.239 1
1 1172 . 14 1 1 A 106 106 SER CB C 106 64.133 63.555 0.578 1
1 1175 . 14 1 1 A 107 107 PRO CA C 107 62.344 62.428 -0.084 1
1 1176 . 14 1 1 A 107 107 PRO HA H 107 5.323 4.978 0.345 1
1 1177 . 14 1 1 A 107 107 PRO CB C 107 33.977 32.870 1.107 1
1 1183 . 14 1 1 A 107 107 PRO C C 107 176.003 174.860 1.143 1
1 1187 . 14 1 1 A 108 108 TYR N N 108 122.832 119.114 3.718 1
1 1188 . 14 1 1 A 108 108 TYR H H 108 9.294 8.304 0.990 1
1 1189 . 14 1 1 A 108 108 TYR CA C 108 57.629 56.694 0.935 1
1 1190 . 14 1 1 A 108 108 TYR HA H 108 4.428 4.975 -0.547 1
1 1191 . 14 1 1 A 108 108 TYR CB C 108 40.091 41.712 -1.621 1
1 1201 . 14 1 1 A 108 108 TYR C C 108 175.851 175.130 0.721 1
1 1203 . 14 1 1 A 109 109 ARG N N 109 122.941 122.710 0.231 1
1 1204 . 14 1 1 A 109 109 ARG H H 109 8.746 8.853 -0.107 1
1 1205 . 14 1 1 A 109 109 ARG CA C 109 55.259 55.828 -0.569 1
1 1206 . 14 1 1 A 109 109 ARG HA H 109 5.189 4.774 0.415 1
1 1207 . 14 1 1 A 109 109 ARG CB C 109 30.879 31.127 -0.248 1
1 1213 . 14 1 1 A 109 109 ARG C C 109 175.522 175.242 0.280 1
1 1217 . 14 1 1 A 110 110 ILE N N 110 125.109 124.714 0.395 1
1 1218 . 14 1 1 A 110 110 ILE H H 110 8.742 8.448 0.294 1
1 1219 . 14 1 1 A 110 110 ILE CA C 110 57.577 59.401 -1.824 1
1 1220 . 14 1 1 A 110 110 ILE HA H 110 4.758 4.940 -0.182 1
1 1221 . 14 1 1 A 110 110 ILE CB C 110 41.138 42.531 -1.393 1
1 1233 . 14 1 1 A 110 110 ILE C C 110 175.121 174.720 0.401 1
1 1235 . 14 1 1 A 111 111 ARG N N 111 125.357 124.996 0.361 1
1 1236 . 14 1 1 A 111 111 ARG H H 111 8.776 8.843 -0.067 1
1 1237 . 14 1 1 A 111 111 ARG CA C 111 54.730 54.264 0.466 1
1 1238 . 14 1 1 A 111 111 ARG HA H 111 5.053 5.355 -0.302 1
1 1239 . 14 1 1 A 111 111 ARG CB C 111 32.685 32.370 0.315 1
1 1245 . 14 1 1 A 111 111 ARG C C 111 174.163 174.942 -0.779 1
1 1249 . 14 1 1 A 112 112 ALA N N 112 127.119 128.181 -1.062 1
1 1250 . 14 1 1 A 112 112 ALA H H 112 9.208 8.725 0.483 1
1 1251 . 14 1 1 A 112 112 ALA CA C 112 49.945 51.737 -1.792 1
1 1252 . 14 1 1 A 112 112 ALA HA H 112 5.851 4.806 1.045 1
1 1253 . 14 1 1 A 112 112 ALA CB C 112 21.329 19.673 1.656 1
1 1257 . 14 1 1 A 112 112 ALA C C 112 178.853 176.403 2.450 1
1 1258 . 14 1 1 A 113 113 THR N N 113 116.033 119.371 -3.338 1
1 1259 . 14 1 1 A 113 113 THR H H 113 8.995 8.629 0.366 1
1 1260 . 14 1 1 A 113 113 THR CA C 113 60.312 60.571 -0.259 1
1 1261 . 14 1 1 A 113 113 THR HA H 113 4.695 5.021 -0.326 1
1 1262 . 14 1 1 A 113 113 THR CB C 113 71.251 71.476 -0.225 1
1 1268 . 14 1 1 A 113 113 THR C C 113 173.710 173.076 0.634 1
1 1269 . 14 1 1 A 114 114 GLN N N 114 122.122 127.877 -5.755 1
1 1270 . 14 1 1 A 114 114 GLN H H 114 8.753 8.519 0.234 1
1 1271 . 14 1 1 A 114 114 GLN CA C 114 55.817 54.695 1.122 1
1 1272 . 14 1 1 A 114 114 GLN HA H 114 4.570 4.753 -0.183 1
1 1273 . 14 1 1 A 114 114 GLN CB C 114 30.106 30.706 -0.600 1
1 1280 . 14 1 1 A 114 114 GLN C C 114 176.106 175.688 0.418 1
1 1283 . 14 1 1 A 115 115 THR N N 115 117.345 118.606 -1.261 1
1 1284 . 14 1 1 A 115 115 THR H H 115 8.493 8.778 -0.285 1
1 1285 . 14 1 1 A 115 115 THR CA C 115 62.328 64.912 -2.584 1
1 1286 . 14 1 1 A 115 115 THR HA H 115 4.351 4.151 0.200 1
1 1287 . 14 1 1 A 115 115 THR CB C 115 69.874 68.655 1.219 1
1 1293 . 14 1 1 A 115 115 THR C C 115 175.158 175.090 0.068 1
1 1294 . 14 1 1 A 116 116 GLY N N 116 111.927 110.920 1.007 1
1 1295 . 14 1 1 A 116 116 GLY H H 116 8.559 7.833 0.726 1
1 1296 . 14 1 1 A 116 116 GLY CA C 116 45.315 44.291 1.024 1
1 1297 . 14 1 1 A 116 116 GLY HA3 H 116 3.934 4.082 -0.148 1
1 1298 . 14 1 1 A 116 116 GLY C C 116 173.820 172.932 0.888 1
1 1299 . 14 1 1 A 116 116 GLY HA2 H 116 4.030 4.081 -0.051 1
1 1300 . 14 1 1 A 117 117 ASP N N 117 120.643 119.794 0.849 1
1 1301 . 14 1 1 A 117 117 ASP H H 117 8.208 8.784 -0.576 1
1 1302 . 14 1 1 A 117 117 ASP CA C 117 54.393 52.635 1.758 1
1 1303 . 14 1 1 A 117 117 ASP HA H 117 4.615 5.420 -0.805 1
1 1304 . 14 1 1 A 117 117 ASP CB C 117 41.388 44.349 -2.961 1
1 1306 . 14 1 1 A 117 117 ASP C C 117 175.973 173.903 2.070 1
1 1308 . 14 1 1 A 118 118 ALA N N 118 124.934 122.668 2.266 1
1 1309 . 14 1 1 A 118 118 ALA H H 118 8.312 8.822 -0.510 1
1 1310 . 14 1 1 A 118 118 ALA CA C 118 52.447 50.120 2.327 1
1 1311 . 14 1 1 A 118 118 ALA HA H 118 4.415 5.396 -0.981 1
1 1312 . 14 1 1 A 118 118 ALA CB C 118 19.339 22.544 -3.205 1
1 1316 . 14 1 1 A 118 118 ALA C C 118 176.848 176.045 0.803 1
1 1 . 15 1 1 A 9 9 SER HA H 9 4.733 4.873 -0.140 1
1 2 . 15 1 1 A 10 10 PRO CA C 10 63.335 62.223 1.112 1
1 3 . 15 1 1 A 10 10 PRO HA H 10 4.399 4.489 -0.090 1
1 4 . 15 1 1 A 10 10 PRO CB C 10 31.938 32.468 -0.530 1
1 10 . 15 1 1 A 10 10 PRO C C 10 176.442 176.744 -0.302 1
1 14 . 15 1 1 A 11 11 PHE N N 11 119.801 121.204 -1.403 1
1 15 . 15 1 1 A 11 11 PHE H H 11 8.036 8.364 -0.328 1
1 16 . 15 1 1 A 11 11 PHE CA C 11 57.505 57.731 -0.226 1
1 17 . 15 1 1 A 11 11 PHE HA H 11 4.606 4.733 -0.127 1
1 18 . 15 1 1 A 11 11 PHE CB C 11 39.592 39.306 0.286 1
1 30 . 15 1 1 A 11 11 PHE C C 11 175.401 175.725 -0.324 1
1 32 . 15 1 1 A 12 12 LYS N N 12 123.563 122.834 0.729 1
1 33 . 15 1 1 A 12 12 LYS H H 12 8.112 8.670 -0.558 1
1 34 . 15 1 1 A 12 12 LYS CA C 12 56.175 56.478 -0.303 1
1 35 . 15 1 1 A 12 12 LYS HA H 12 4.322 4.529 -0.207 1
1 36 . 15 1 1 A 12 12 LYS CB C 12 33.352 32.340 1.012 1
1 44 . 15 1 1 A 12 12 LYS C C 12 175.802 175.154 0.648 1
1 49 . 15 1 1 A 13 13 VAL N N 13 122.071 123.945 -1.874 1
1 50 . 15 1 1 A 13 13 VAL H H 13 8.080 7.863 0.217 1
1 51 . 15 1 1 A 13 13 VAL CA C 13 62.280 60.496 1.784 1
1 52 . 15 1 1 A 13 13 VAL HA H 13 4.036 4.659 -0.623 1
1 53 . 15 1 1 A 13 13 VAL CB C 13 32.895 34.437 -1.542 1
1 63 . 15 1 1 A 13 13 VAL C C 13 175.814 173.515 2.299 1
1 64 . 15 1 1 A 14 14 LYS N N 14 125.874 128.175 -2.301 1
1 65 . 15 1 1 A 14 14 LYS H H 14 8.392 8.822 -0.430 1
1 66 . 15 1 1 A 14 14 LYS CA C 14 56.250 55.371 0.879 1
1 67 . 15 1 1 A 14 14 LYS HA H 14 4.322 4.727 -0.405 1
1 68 . 15 1 1 A 14 14 LYS CB C 14 33.193 32.174 1.019 1
1 73 . 15 1 1 A 14 14 LYS C C 14 175.973 175.454 0.519 1
1 75 . 15 1 1 A 15 15 VAL N N 15 123.129 117.529 5.600 1
1 76 . 15 1 1 A 15 15 VAL H H 15 8.204 8.683 -0.479 1
1 77 . 15 1 1 A 15 15 VAL CA C 15 62.033 58.726 3.307 1
1 78 . 15 1 1 A 15 15 VAL HA H 15 4.100 4.949 -0.849 1
1 79 . 15 1 1 A 15 15 VAL CB C 15 32.858 35.470 -2.612 1
1 89 . 15 1 1 A 15 15 VAL C C 15 175.717 175.061 0.656 1
1 90 . 15 1 1 A 16 16 LEU N N 16 127.971 119.956 8.015 1
1 91 . 15 1 1 A 16 16 LEU H H 16 8.378 8.136 0.242 1
1 92 . 15 1 1 A 16 16 LEU CA C 16 52.885 53.032 -0.147 1
1 93 . 15 1 1 A 16 16 LEU HA H 16 4.624 4.537 0.087 1
1 94 . 15 1 1 A 16 16 LEU CB C 16 41.706 41.823 -0.117 1
1 106 . 15 1 1 A 16 16 LEU C C 16 175.092 176.023 -0.931 1
1 108 . 15 1 1 A 17 17 PRO CA C 17 62.704 62.265 0.439 1
1 109 . 15 1 1 A 17 17 PRO HA H 17 4.556 4.545 0.011 1
1 110 . 15 1 1 A 17 17 PRO CB C 17 32.293 32.434 -0.141 1
1 116 . 15 1 1 A 17 17 PRO C C 17 177.319 177.490 -0.171 1
1 120 . 15 1 1 A 18 18 THR N N 18 112.726 115.056 -2.330 1
1 121 . 15 1 1 A 18 18 THR H H 18 8.497 8.575 -0.078 1
1 122 . 15 1 1 A 18 18 THR CA C 18 62.335 65.076 -2.741 1
1 123 . 15 1 1 A 18 18 THR HA H 18 4.352 4.058 0.294 1
1 124 . 15 1 1 A 18 18 THR CB C 18 69.700 68.749 0.951 1
1 130 . 15 1 1 A 18 18 THR C C 18 173.418 174.912 -1.494 1
1 131 . 15 1 1 A 19 19 TYR N N 19 118.883 120.122 -1.239 1
1 132 . 15 1 1 A 19 19 TYR H H 19 7.244 7.648 -0.404 1
1 133 . 15 1 1 A 19 19 TYR CA C 19 55.270 57.803 -2.533 1
1 134 . 15 1 1 A 19 19 TYR HA H 19 5.404 4.904 0.500 1
1 135 . 15 1 1 A 19 19 TYR CB C 19 40.974 40.108 0.866 1
1 145 . 15 1 1 A 19 19 TYR C C 19 174.318 174.396 -0.078 1
1 147 . 15 1 1 A 20 20 ASP N N 20 118.193 119.344 -1.151 1
1 148 . 15 1 1 A 20 20 ASP H H 20 8.686 9.667 -0.981 1
1 149 . 15 1 1 A 20 20 ASP CA C 20 53.226 53.332 -0.106 1
1 150 . 15 1 1 A 20 20 ASP HA H 20 4.539 5.178 -0.639 1
1 151 . 15 1 1 A 20 20 ASP CB C 20 41.490 44.675 -3.185 1
1 153 . 15 1 1 A 20 20 ASP C C 20 176.349 176.103 0.246 1
1 155 . 15 1 1 A 21 21 ALA N N 21 127.255 127.242 0.013 1
1 156 . 15 1 1 A 21 21 ALA H H 21 9.404 9.170 0.234 1
1 157 . 15 1 1 A 21 21 ALA CA C 21 55.157 55.408 -0.251 1
1 158 . 15 1 1 A 21 21 ALA HA H 21 4.204 4.237 -0.033 1
1 159 . 15 1 1 A 21 21 ALA CB C 21 19.890 18.620 1.270 1
1 163 . 15 1 1 A 21 21 ALA C C 21 178.113 179.730 -1.617 1
1 164 . 15 1 1 A 22 22 SER N N 22 110.959 114.234 -3.275 1
1 165 . 15 1 1 A 22 22 SER H H 22 8.397 8.093 0.304 1
1 166 . 15 1 1 A 22 22 SER CA C 22 60.794 61.552 -0.758 1
1 167 . 15 1 1 A 22 22 SER HA H 22 4.363 4.308 0.055 1
1 168 . 15 1 1 A 22 22 SER CB C 22 62.850 63.171 -0.321 1
1 170 . 15 1 1 A 22 22 SER C C 22 175.425 175.563 -0.138 1
1 172 . 15 1 1 A 23 23 LYS N N 23 119.671 117.002 2.669 1
1 173 . 15 1 1 A 23 23 LYS H H 23 7.366 7.529 -0.163 1
1 174 . 15 1 1 A 23 23 LYS CA C 23 54.818 55.934 -1.116 1
1 175 . 15 1 1 A 23 23 LYS HA H 23 4.368 4.375 -0.007 1
1 176 . 15 1 1 A 23 23 LYS CB C 23 33.063 32.574 0.489 1
1 184 . 15 1 1 A 23 23 LYS C C 23 176.544 174.766 1.778 1
1 189 . 15 1 1 A 24 24 VAL N N 24 123.377 120.214 3.163 1
1 190 . 15 1 1 A 24 24 VAL H H 24 7.392 7.652 -0.260 1
1 191 . 15 1 1 A 24 24 VAL CA C 24 62.722 61.276 1.446 1
1 192 . 15 1 1 A 24 24 VAL HA H 24 4.184 4.597 -0.413 1
1 193 . 15 1 1 A 24 24 VAL CB C 24 31.780 33.686 -1.906 1
1 203 . 15 1 1 A 24 24 VAL C C 24 175.644 175.231 0.413 1
1 204 . 15 1 1 A 25 25 THR N N 25 117.441 117.445 -0.004 1
1 205 . 15 1 1 A 25 25 THR H H 25 8.384 8.911 -0.527 1
1 206 . 15 1 1 A 25 25 THR CA C 25 59.858 59.587 0.271 1
1 207 . 15 1 1 A 25 25 THR HA H 25 4.784 5.346 -0.562 1
1 208 . 15 1 1 A 25 25 THR CB C 25 71.687 72.562 -0.875 1
1 214 . 15 1 1 A 25 25 THR C C 25 172.360 172.564 -0.204 1
1 215 . 15 1 1 A 26 26 ALA N N 26 123.956 123.105 0.851 1
1 216 . 15 1 1 A 26 26 ALA H H 26 8.440 8.717 -0.277 1
1 217 . 15 1 1 A 26 26 ALA CA C 26 51.022 51.037 -0.015 1
1 218 . 15 1 1 A 26 26 ALA HA H 26 5.575 5.607 -0.032 1
1 219 . 15 1 1 A 26 26 ALA CB C 26 22.576 23.741 -1.165 1
1 223 . 15 1 1 A 26 26 ALA C C 26 176.301 175.312 0.989 1
1 224 . 15 1 1 A 27 27 SER N N 27 114.430 114.319 0.111 1
1 225 . 15 1 1 A 27 27 SER H H 27 9.021 8.692 0.329 1
1 226 . 15 1 1 A 27 27 SER CA C 27 57.771 57.318 0.453 1
1 227 . 15 1 1 A 27 27 SER HA H 27 4.745 5.349 -0.604 1
1 228 . 15 1 1 A 27 27 SER CB C 27 65.911 67.315 -1.404 1
1 230 . 15 1 1 A 27 27 SER C C 27 172.798 173.048 -0.250 1
1 232 . 15 1 1 A 28 28 GLY N N 28 108.618 110.117 -1.499 1
1 233 . 15 1 1 A 28 28 GLY H H 28 8.516 8.438 0.078 1
1 234 . 15 1 1 A 28 28 GLY CA C 28 44.966 44.515 0.451 1
1 235 . 15 1 1 A 28 28 GLY HA3 H 28 4.102 4.268 -0.166 1
1 236 . 15 1 1 A 28 28 GLY C C 28 173.392 174.154 -0.762 1
1 237 . 15 1 1 A 28 28 GLY HA2 H 28 5.026 4.230 0.796 1
1 238 . 15 1 1 A 29 29 PRO CA C 29 65.446 65.031 0.415 1
1 239 . 15 1 1 A 29 29 PRO HA H 29 4.399 4.435 -0.036 1
1 240 . 15 1 1 A 29 29 PRO CB C 29 31.739 32.063 -0.324 1
1 246 . 15 1 1 A 29 29 PRO C C 29 179.804 178.587 1.217 1
1 250 . 15 1 1 A 30 30 GLY N N 30 103.199 106.097 -2.898 1
1 251 . 15 1 1 A 30 30 GLY H H 30 9.156 8.546 0.610 1
1 252 . 15 1 1 A 30 30 GLY CA C 30 46.458 47.188 -0.730 1
1 253 . 15 1 1 A 30 30 GLY HA3 H 30 3.331 4.367 -1.036 1
1 254 . 15 1 1 A 30 30 GLY C C 30 171.694 174.907 -3.213 1
1 255 . 15 1 1 A 30 30 GLY HA2 H 30 4.062 4.186 -0.124 1
1 256 . 15 1 1 A 31 31 LEU N N 31 116.112 119.462 -3.350 1
1 257 . 15 1 1 A 31 31 LEU H H 31 7.351 7.738 -0.387 1
1 258 . 15 1 1 A 31 31 LEU CA C 31 52.607 54.077 -1.470 1
1 259 . 15 1 1 A 31 31 LEU HA H 31 4.269 4.599 -0.330 1
1 260 . 15 1 1 A 31 31 LEU CB C 31 41.265 41.643 -0.378 1
1 272 . 15 1 1 A 31 31 LEU C C 31 176.751 176.181 0.570 1
1 274 . 15 1 1 A 32 32 SER N N 32 114.056 118.056 -4.000 1
1 275 . 15 1 1 A 32 32 SER H H 32 6.986 7.919 -0.933 1
1 276 . 15 1 1 A 32 32 SER CA C 32 58.750 58.434 0.316 1
1 277 . 15 1 1 A 32 32 SER HA H 32 4.268 4.450 -0.182 1
1 278 . 15 1 1 A 32 32 SER CB C 32 64.571 64.132 0.439 1
1 280 . 15 1 1 A 32 32 SER C C 32 176.483 175.010 1.473 1
1 282 . 15 1 1 A 33 33 SER N N 33 123.249 122.865 0.384 1
1 283 . 15 1 1 A 33 33 SER H H 33 8.887 9.165 -0.278 1
1 284 . 15 1 1 A 33 33 SER CA C 33 60.176 61.266 -1.090 1
1 285 . 15 1 1 A 33 33 SER HA H 33 4.409 4.250 0.159 1
1 286 . 15 1 1 A 33 33 SER CB C 33 63.098 62.622 0.476 1
1 288 . 15 1 1 A 33 33 SER C C 33 174.922 176.360 -1.438 1
1 290 . 15 1 1 A 34 34 TYR N N 34 120.641 118.737 1.904 1
1 291 . 15 1 1 A 34 34 TYR H H 34 8.225 8.134 0.091 1
1 292 . 15 1 1 A 34 34 TYR CA C 34 58.266 60.119 -1.853 1
1 293 . 15 1 1 A 34 34 TYR HA H 34 4.622 4.354 0.268 1
1 294 . 15 1 1 A 34 34 TYR CB C 34 38.478 38.613 -0.135 1
1 304 . 15 1 1 A 34 34 TYR C C 34 175.881 176.073 -0.192 1
1 306 . 15 1 1 A 35 35 GLY N N 35 109.142 105.307 3.835 1
1 307 . 15 1 1 A 35 35 GLY H H 35 7.416 7.181 0.235 1
1 308 . 15 1 1 A 35 35 GLY CA C 35 44.524 44.878 -0.354 1
1 309 . 15 1 1 A 35 35 GLY HA3 H 35 4.411 4.118 0.293 1
1 310 . 15 1 1 A 35 35 GLY C C 35 172.956 171.882 1.074 1
1 311 . 15 1 1 A 35 35 GLY HA2 H 35 4.324 4.114 0.210 1
1 312 . 15 1 1 A 36 36 VAL N N 36 116.841 116.173 0.668 1
1 313 . 15 1 1 A 36 36 VAL H H 36 8.617 8.629 -0.012 1
1 314 . 15 1 1 A 36 36 VAL CA C 36 57.700 58.104 -0.404 1
1 315 . 15 1 1 A 36 36 VAL HA H 36 4.880 5.005 -0.125 1
1 316 . 15 1 1 A 36 36 VAL CB C 36 33.474 33.907 -0.433 1
1 326 . 15 1 1 A 36 36 VAL C C 36 173.489 173.505 -0.016 1
1 327 . 15 1 1 A 37 37 PRO CA C 37 62.200 62.356 -0.156 1
1 328 . 15 1 1 A 37 37 PRO HA H 37 4.646 4.721 -0.075 1
1 329 . 15 1 1 A 37 37 PRO CB C 37 31.876 31.739 0.137 1
1 335 . 15 1 1 A 37 37 PRO C C 37 177.148 176.935 0.213 1
1 339 . 15 1 1 A 38 38 ALA N N 38 124.330 125.036 -0.706 1
1 340 . 15 1 1 A 38 38 ALA H H 38 8.591 8.045 0.546 1
1 341 . 15 1 1 A 38 38 ALA CA C 38 52.606 52.665 -0.059 1
1 342 . 15 1 1 A 38 38 ALA HA H 38 4.189 4.236 -0.047 1
1 343 . 15 1 1 A 38 38 ALA CB C 38 18.928 19.580 -0.652 1
1 347 . 15 1 1 A 38 38 ALA C C 38 178.418 178.310 0.108 1
1 348 . 15 1 1 A 39 39 SER N N 39 109.435 115.897 -6.462 1
1 349 . 15 1 1 A 39 39 SER H H 39 8.687 8.594 0.093 1
1 350 . 15 1 1 A 39 39 SER CA C 39 61.147 59.136 2.011 1
1 351 . 15 1 1 A 39 39 SER HA H 39 3.770 4.093 -0.323 1
1 352 . 15 1 1 A 39 39 SER CB C 39 62.322 61.832 0.490 1
1 354 . 15 1 1 A 39 39 SER C C 39 172.372 173.452 -1.080 1
1 356 . 15 1 1 A 40 40 LEU N N 40 121.668 120.982 0.686 1
1 357 . 15 1 1 A 40 40 LEU H H 40 6.981 7.734 -0.753 1
1 358 . 15 1 1 A 40 40 LEU CA C 40 51.707 50.846 0.861 1
1 359 . 15 1 1 A 40 40 LEU HA H 40 4.890 4.723 0.167 1
1 360 . 15 1 1 A 40 40 LEU CB C 40 43.441 45.576 -2.135 1
1 372 . 15 1 1 A 40 40 LEU C C 40 173.635 174.043 -0.408 1
1 374 . 15 1 1 A 41 41 PRO CA C 41 62.683 62.341 0.342 1
1 375 . 15 1 1 A 41 41 PRO HA H 41 4.490 4.625 -0.135 1
1 376 . 15 1 1 A 41 41 PRO CB C 41 31.415 31.324 0.091 1
1 382 . 15 1 1 A 41 41 PRO C C 41 175.540 175.204 0.336 1
1 386 . 15 1 1 A 42 42 VAL N N 42 124.505 122.290 2.215 1
1 387 . 15 1 1 A 42 42 VAL H H 42 8.917 7.758 1.159 1
1 388 . 15 1 1 A 42 42 VAL CA C 42 60.282 59.481 0.801 1
1 389 . 15 1 1 A 42 42 VAL HA H 42 4.408 4.619 -0.211 1
1 390 . 15 1 1 A 42 42 VAL CB C 42 34.522 34.241 0.281 1
1 400 . 15 1 1 A 42 42 VAL C C 42 171.180 173.915 -2.735 1
1 401 . 15 1 1 A 43 43 ASP N N 43 121.538 126.980 -5.442 1
1 402 . 15 1 1 A 43 43 ASP H H 43 7.549 9.060 -1.511 1
1 403 . 15 1 1 A 43 43 ASP CA C 43 51.968 52.157 -0.189 1
1 404 . 15 1 1 A 43 43 ASP HA H 43 6.324 5.690 0.634 1
1 405 . 15 1 1 A 43 43 ASP CB C 43 44.949 44.636 0.313 1
1 407 . 15 1 1 A 43 43 ASP C C 43 177.711 174.826 2.885 1
1 409 . 15 1 1 A 44 44 PHE N N 44 112.517 117.355 -4.838 1
1 410 . 15 1 1 A 44 44 PHE H H 44 9.044 7.699 1.345 1
1 411 . 15 1 1 A 44 44 PHE CA C 44 57.658 54.865 2.793 1
1 412 . 15 1 1 A 44 44 PHE HA H 44 5.069 5.457 -0.388 1
1 413 . 15 1 1 A 44 44 PHE CB C 44 41.220 42.062 -0.842 1
1 425 . 15 1 1 A 44 44 PHE C C 44 171.679 173.364 -1.685 1
1 427 . 15 1 1 A 45 45 ALA N N 45 123.935 121.087 2.848 1
1 428 . 15 1 1 A 45 45 ALA H H 45 9.468 9.043 0.425 1
1 429 . 15 1 1 A 45 45 ALA CA C 45 50.855 50.505 0.350 1
1 430 . 15 1 1 A 45 45 ALA HA H 45 5.379 5.257 0.122 1
1 431 . 15 1 1 A 45 45 ALA CB C 45 22.496 22.230 0.266 1
1 435 . 15 1 1 A 45 45 ALA C C 45 176.715 175.844 0.871 1
1 436 . 15 1 1 A 46 46 ILE N N 46 119.530 123.376 -3.846 1
1 437 . 15 1 1 A 46 46 ILE H H 46 8.686 9.375 -0.689 1
1 438 . 15 1 1 A 46 46 ILE CA C 46 59.561 60.763 -1.202 1
1 439 . 15 1 1 A 46 46 ILE HA H 46 4.863 4.871 -0.008 1
1 440 . 15 1 1 A 46 46 ILE CB C 46 41.370 38.748 2.622 1
1 452 . 15 1 1 A 46 46 ILE C C 46 174.379 173.898 0.481 1
1 454 . 15 1 1 A 47 47 ASP N N 47 127.143 129.282 -2.139 1
1 455 . 15 1 1 A 47 47 ASP H H 47 9.281 8.831 0.450 1
1 456 . 15 1 1 A 47 47 ASP CA C 47 53.297 52.888 0.409 1
1 457 . 15 1 1 A 47 47 ASP HA H 47 4.976 5.137 -0.161 1
1 458 . 15 1 1 A 47 47 ASP CB C 47 41.371 43.124 -1.753 1
1 460 . 15 1 1 A 47 47 ASP C C 47 174.962 174.763 0.199 1
1 462 . 15 1 1 A 48 48 ALA N N 48 129.371 129.291 0.080 1
1 463 . 15 1 1 A 48 48 ALA H H 48 9.078 8.585 0.493 1
1 464 . 15 1 1 A 48 48 ALA CA C 48 50.554 50.735 -0.181 1
1 465 . 15 1 1 A 48 48 ALA HA H 48 4.641 4.948 -0.307 1
1 466 . 15 1 1 A 48 48 ALA CB C 48 19.699 20.659 -0.960 1
1 470 . 15 1 1 A 48 48 ALA C C 48 179.317 176.706 2.611 1
1 471 . 15 1 1 A 49 49 ARG N N 49 122.060 124.669 -2.609 1
1 472 . 15 1 1 A 49 49 ARG H H 49 8.590 8.978 -0.388 1
1 473 . 15 1 1 A 49 49 ARG CA C 49 60.964 57.665 3.299 1
1 474 . 15 1 1 A 49 49 ARG HA H 49 3.987 4.495 -0.508 1
1 475 . 15 1 1 A 49 49 ARG CB C 49 30.654 31.282 -0.628 1
1 483 . 15 1 1 A 49 49 ARG C C 49 178.077 176.560 1.517 1
1 487 . 15 1 1 A 50 50 ASP N N 50 116.664 118.221 -1.557 1
1 488 . 15 1 1 A 50 50 ASP H H 50 8.794 7.912 0.882 1
1 489 . 15 1 1 A 50 50 ASP CA C 50 53.827 53.069 0.758 1
1 490 . 15 1 1 A 50 50 ASP HA H 50 5.040 4.918 0.122 1
1 491 . 15 1 1 A 50 50 ASP CB C 50 41.595 41.285 0.310 1
1 493 . 15 1 1 A 50 50 ASP C C 50 175.754 176.775 -1.021 1
1 495 . 15 1 1 A 51 51 ALA N N 51 121.173 122.254 -1.081 1
1 496 . 15 1 1 A 51 51 ALA H H 51 7.406 7.807 -0.401 1
1 497 . 15 1 1 A 51 51 ALA CA C 51 52.147 52.767 -0.620 1
1 498 . 15 1 1 A 51 51 ALA HA H 51 4.414 4.582 -0.168 1
1 499 . 15 1 1 A 51 51 ALA CB C 51 23.427 19.356 4.071 1
1 503 . 15 1 1 A 51 51 ALA C C 51 176.763 178.382 -1.619 1
1 504 . 15 1 1 A 52 52 GLY N N 52 108.187 105.918 2.269 1
1 505 . 15 1 1 A 52 52 GLY H H 52 8.521 7.975 0.546 1
1 506 . 15 1 1 A 52 52 GLY CA C 52 45.210 45.524 -0.314 1
1 507 . 15 1 1 A 52 52 GLY HA3 H 52 3.859 4.166 -0.307 1
1 508 . 15 1 1 A 52 52 GLY C C 52 175.060 173.645 1.415 1
1 509 . 15 1 1 A 52 52 GLY HA2 H 52 4.492 4.115 0.377 1
1 510 . 15 1 1 A 53 53 GLU N N 53 124.810 123.539 1.271 1
1 511 . 15 1 1 A 53 53 GLU H H 53 8.643 8.662 -0.019 1
1 512 . 15 1 1 A 53 53 GLU CA C 53 56.352 55.648 0.704 1
1 513 . 15 1 1 A 53 53 GLU HA H 53 4.663 5.137 -0.474 1
1 514 . 15 1 1 A 53 53 GLU CB C 53 31.164 30.990 0.174 1
1 518 . 15 1 1 A 53 53 GLU C C 53 173.491 176.041 -2.550 1
1 521 . 15 1 1 A 54 54 GLY N N 54 111.417 112.173 -0.756 1
1 522 . 15 1 1 A 54 54 GLY H H 54 7.465 8.577 -1.112 1
1 523 . 15 1 1 A 54 54 GLY CA C 54 43.622 43.695 -0.073 1
1 524 . 15 1 1 A 54 54 GLY HA3 H 54 2.287 3.748 -1.461 1
1 525 . 15 1 1 A 54 54 GLY C C 54 170.013 171.877 -1.864 1
1 526 . 15 1 1 A 54 54 GLY HA2 H 54 3.819 3.228 0.591 1
1 527 . 15 1 1 A 55 55 LEU N N 55 117.446 123.907 -6.461 1
1 528 . 15 1 1 A 55 55 LEU H H 55 7.461 7.826 -0.365 1
1 529 . 15 1 1 A 55 55 LEU CA C 55 54.041 55.043 -1.002 1
1 530 . 15 1 1 A 55 55 LEU HA H 55 4.293 4.033 0.260 1
1 531 . 15 1 1 A 55 55 LEU CB C 55 42.832 42.123 0.709 1
1 543 . 15 1 1 A 55 55 LEU C C 55 176.872 175.520 1.352 1
1 545 . 15 1 1 A 56 56 LEU N N 56 131.840 128.472 3.368 1
1 546 . 15 1 1 A 56 56 LEU H H 56 8.791 8.404 0.387 1
1 547 . 15 1 1 A 56 56 LEU CA C 56 53.807 54.347 -0.540 1
1 548 . 15 1 1 A 56 56 LEU HA H 56 5.053 4.800 0.253 1
1 549 . 15 1 1 A 56 56 LEU CB C 56 43.113 43.684 -0.571 1
1 561 . 15 1 1 A 56 56 LEU C C 56 175.389 175.233 0.156 1
1 563 . 15 1 1 A 57 57 ALA N N 57 130.035 128.273 1.762 1
1 564 . 15 1 1 A 57 57 ALA H H 57 8.880 8.266 0.614 1
1 565 . 15 1 1 A 57 57 ALA CA C 57 51.758 50.468 1.290 1
1 566 . 15 1 1 A 57 57 ALA HA H 57 4.641 5.164 -0.523 1
1 567 . 15 1 1 A 57 57 ALA CB C 57 21.820 23.059 -1.239 1
1 571 . 15 1 1 A 57 57 ALA C C 57 174.647 175.840 -1.193 1
1 572 . 15 1 1 A 58 58 VAL N N 58 120.958 120.572 0.386 1
1 573 . 15 1 1 A 58 58 VAL H H 58 8.443 8.740 -0.297 1
1 574 . 15 1 1 A 58 58 VAL CA C 58 60.495 61.430 -0.935 1
1 575 . 15 1 1 A 58 58 VAL HA H 58 4.988 4.716 0.272 1
1 576 . 15 1 1 A 58 58 VAL CB C 58 34.639 32.849 1.790 1
1 586 . 15 1 1 A 58 58 VAL C C 58 174.646 174.747 -0.101 1
1 587 . 15 1 1 A 59 59 GLN N N 59 127.048 126.824 0.224 1
1 588 . 15 1 1 A 59 59 GLN H H 59 9.196 8.999 0.197 1
1 589 . 15 1 1 A 59 59 GLN CA C 59 54.587 54.523 0.064 1
1 590 . 15 1 1 A 59 59 GLN HA H 59 4.706 4.947 -0.241 1
1 591 . 15 1 1 A 59 59 GLN CB C 59 31.580 30.384 1.196 1
1 598 . 15 1 1 A 59 59 GLN C C 59 174.197 174.837 -0.640 1
1 601 . 15 1 1 A 60 60 ILE N N 60 127.617 125.335 2.282 1
1 602 . 15 1 1 A 60 60 ILE H H 60 9.299 8.965 0.334 1
1 603 . 15 1 1 A 60 60 ILE CA C 60 60.506 60.094 0.412 1
1 604 . 15 1 1 A 60 60 ILE HA H 60 5.210 4.887 0.323 1
1 605 . 15 1 1 A 60 60 ILE CB C 60 39.172 40.302 -1.130 1
1 617 . 15 1 1 A 60 60 ILE C C 60 175.608 175.457 0.151 1
1 619 . 15 1 1 A 61 61 THR N N 61 119.733 117.829 1.904 1
1 620 . 15 1 1 A 61 61 THR H H 61 8.924 8.576 0.348 1
1 621 . 15 1 1 A 61 61 THR CA C 61 59.565 59.620 -0.055 1
1 622 . 15 1 1 A 61 61 THR HA H 61 5.173 5.614 -0.441 1
1 623 . 15 1 1 A 61 61 THR CB C 61 72.121 72.086 0.035 1
1 629 . 15 1 1 A 61 61 THR C C 61 174.051 172.596 1.455 1
1 630 . 15 1 1 A 62 62 ASP N N 62 122.337 123.919 -1.582 1
1 631 . 15 1 1 A 62 62 ASP H H 62 8.484 8.597 -0.113 1
1 632 . 15 1 1 A 62 62 ASP CA C 62 52.200 52.871 -0.671 1
1 633 . 15 1 1 A 62 62 ASP HA H 62 4.425 4.883 -0.458 1
1 634 . 15 1 1 A 62 62 ASP CB C 62 42.222 42.654 -0.432 1
1 636 . 15 1 1 A 62 62 ASP C C 62 179.086 177.507 1.579 1
1 638 . 15 1 1 A 63 63 GLN N N 63 118.341 121.951 -3.610 1
1 639 . 15 1 1 A 63 63 GLN H H 63 8.250 8.765 -0.515 1
1 640 . 15 1 1 A 63 63 GLN CA C 63 58.406 58.493 -0.087 1
1 641 . 15 1 1 A 63 63 GLN HA H 63 4.049 4.068 -0.019 1
1 642 . 15 1 1 A 63 63 GLN CB C 63 28.127 28.135 -0.008 1
1 649 . 15 1 1 A 63 63 GLN C C 63 177.152 178.056 -0.904 1
1 652 . 15 1 1 A 64 64 GLU N N 64 119.134 118.676 0.458 1
1 653 . 15 1 1 A 64 64 GLU H H 64 8.120 7.779 0.341 1
1 654 . 15 1 1 A 64 64 GLU CA C 64 55.790 56.815 -1.025 1
1 655 . 15 1 1 A 64 64 GLU HA H 64 4.423 4.388 0.035 1
1 656 . 15 1 1 A 64 64 GLU CB C 64 30.102 30.346 -0.244 1
1 660 . 15 1 1 A 64 64 GLU C C 64 176.374 176.680 -0.306 1
1 663 . 15 1 1 A 65 65 GLY N N 65 108.728 107.983 0.745 1
1 664 . 15 1 1 A 65 65 GLY H H 65 8.306 7.953 0.353 1
1 665 . 15 1 1 A 65 65 GLY CA C 65 45.285 45.727 -0.442 1
1 666 . 15 1 1 A 65 65 GLY HA3 H 65 3.561 4.027 -0.466 1
1 667 . 15 1 1 A 65 65 GLY C C 65 174.342 174.194 0.148 1
1 668 . 15 1 1 A 65 65 GLY HA2 H 65 4.203 4.017 0.186 1
1 669 . 15 1 1 A 66 66 LYS N N 66 123.502 119.691 3.811 1
1 670 . 15 1 1 A 66 66 LYS H H 66 8.528 7.819 0.709 1
1 671 . 15 1 1 A 66 66 LYS CA C 66 53.738 53.226 0.512 1
1 672 . 15 1 1 A 66 66 LYS HA H 66 4.613 4.710 -0.097 1
1 673 . 15 1 1 A 66 66 LYS CB C 66 31.167 32.532 -1.365 1
1 681 . 15 1 1 A 66 66 LYS C C 66 174.752 174.284 0.468 1
1 686 . 15 1 1 A 67 67 PRO CA C 67 62.433 62.682 -0.249 1
1 687 . 15 1 1 A 67 67 PRO HA H 67 5.062 4.715 0.347 1
1 688 . 15 1 1 A 67 67 PRO CB C 67 32.725 32.092 0.633 1
1 694 . 15 1 1 A 67 67 PRO C C 67 177.270 176.184 1.086 1
1 698 . 15 1 1 A 68 68 LYS N N 68 121.461 121.709 -0.248 1
1 699 . 15 1 1 A 68 68 LYS H H 68 8.419 8.564 -0.145 1
1 700 . 15 1 1 A 68 68 LYS CA C 68 52.023 54.744 -2.721 1
1 701 . 15 1 1 A 68 68 LYS HA H 68 4.797 4.807 -0.010 1
1 702 . 15 1 1 A 68 68 LYS CB C 68 32.611 36.044 -3.433 1
1 710 . 15 1 1 A 68 68 LYS C C 68 175.389 175.702 -0.313 1
1 715 . 15 1 1 A 69 69 ARG N N 69 124.040 124.628 -0.588 1
1 716 . 15 1 1 A 69 69 ARG H H 69 8.683 8.590 0.093 1
1 717 . 15 1 1 A 69 69 ARG CA C 69 57.045 56.981 0.064 1
1 718 . 15 1 1 A 69 69 ARG HA H 69 4.221 4.322 -0.101 1
1 719 . 15 1 1 A 69 69 ARG CB C 69 30.712 30.666 0.046 1
1 725 . 15 1 1 A 69 69 ARG C C 69 174.877 175.284 -0.407 1
1 729 . 15 1 1 A 70 70 ALA N N 70 127.074 129.104 -2.030 1
1 730 . 15 1 1 A 70 70 ALA H H 70 8.421 8.726 -0.305 1
1 731 . 15 1 1 A 70 70 ALA CA C 70 50.360 50.356 0.004 1
1 732 . 15 1 1 A 70 70 ALA HA H 70 4.859 5.337 -0.478 1
1 733 . 15 1 1 A 70 70 ALA CB C 70 20.569 22.174 -1.605 1
1 737 . 15 1 1 A 70 70 ALA C C 70 176.313 175.860 0.453 1
1 738 . 15 1 1 A 71 71 ILE N N 71 124.496 122.647 1.849 1
1 739 . 15 1 1 A 71 71 ILE H H 71 8.943 8.975 -0.032 1
1 740 . 15 1 1 A 71 71 ILE CA C 71 60.870 60.159 0.711 1
1 741 . 15 1 1 A 71 71 ILE HA H 71 4.195 4.728 -0.533 1
1 742 . 15 1 1 A 71 71 ILE CB C 71 38.457 39.394 -0.937 1
1 754 . 15 1 1 A 71 71 ILE C C 71 175.027 175.697 -0.670 1
1 756 . 15 1 1 A 72 72 VAL N N 72 128.410 126.406 2.004 1
1 757 . 15 1 1 A 72 72 VAL H H 72 8.714 8.776 -0.062 1
1 758 . 15 1 1 A 72 72 VAL CA C 72 61.867 60.984 0.883 1
1 759 . 15 1 1 A 72 72 VAL HA H 72 4.478 4.714 -0.236 1
1 760 . 15 1 1 A 72 72 VAL CB C 72 32.745 33.213 -0.468 1
1 770 . 15 1 1 A 72 72 VAL C C 72 175.279 175.240 0.039 1
1 771 . 15 1 1 A 73 73 HIS N N 73 129.084 125.286 3.798 1
1 772 . 15 1 1 A 73 73 HIS H H 73 9.783 8.903 0.880 1
1 773 . 15 1 1 A 73 73 HIS CA C 73 55.366 54.505 0.861 1
1 774 . 15 1 1 A 73 73 HIS HA H 73 4.849 5.216 -0.367 1
1 775 . 15 1 1 A 73 73 HIS CB C 73 31.465 31.860 -0.395 1
1 781 . 15 1 1 A 73 73 HIS C C 73 173.491 173.767 -0.276 1
1 783 . 15 1 1 A 74 74 ASP N N 74 127.118 124.146 2.972 1
1 784 . 15 1 1 A 74 74 ASP H H 74 8.541 8.674 -0.133 1
1 785 . 15 1 1 A 74 74 ASP CA C 74 53.048 52.696 0.352 1
1 786 . 15 1 1 A 74 74 ASP HA H 74 4.476 5.361 -0.885 1
1 787 . 15 1 1 A 74 74 ASP CB C 74 41.554 42.296 -0.742 1
1 789 . 15 1 1 A 74 74 ASP C C 74 175.936 175.722 0.214 1
1 791 . 15 1 1 A 75 75 ASN N N 75 124.002 120.874 3.128 1
1 792 . 15 1 1 A 75 75 ASN H H 75 7.827 8.756 -0.929 1
1 793 . 15 1 1 A 75 75 ASN CA C 75 54.517 53.300 1.217 1
1 794 . 15 1 1 A 75 75 ASN HA H 75 4.572 4.896 -0.324 1
1 795 . 15 1 1 A 75 75 ASN CB C 75 38.091 39.811 -1.720 1
1 800 . 15 1 1 A 75 75 ASN C C 75 175.352 174.891 0.461 1
1 802 . 15 1 1 A 76 76 LYS N N 76 114.689 115.788 -1.099 1
1 803 . 15 1 1 A 76 76 LYS H H 76 9.246 7.716 1.530 1
1 804 . 15 1 1 A 76 76 LYS CA C 76 57.428 57.192 0.236 1
1 805 . 15 1 1 A 76 76 LYS HA H 76 3.882 3.898 -0.016 1
1 806 . 15 1 1 A 76 76 LYS CB C 76 28.223 29.015 -0.792 1
1 814 . 15 1 1 A 76 76 LYS C C 76 174.975 176.038 -1.063 1
1 819 . 15 1 1 A 77 77 ASP N N 77 117.462 117.996 -0.534 1
1 820 . 15 1 1 A 77 77 ASP H H 77 7.831 8.556 -0.725 1
1 821 . 15 1 1 A 77 77 ASP CA C 77 52.168 53.036 -0.868 1
1 822 . 15 1 1 A 77 77 ASP HA H 77 4.706 4.827 -0.121 1
1 823 . 15 1 1 A 77 77 ASP CB C 77 41.224 41.459 -0.235 1
1 825 . 15 1 1 A 77 77 ASP C C 77 176.739 176.450 0.289 1
1 827 . 15 1 1 A 78 78 GLY N N 78 109.485 108.673 0.812 1
1 828 . 15 1 1 A 78 78 GLY H H 78 8.658 8.617 0.041 1
1 829 . 15 1 1 A 78 78 GLY CA C 78 45.568 46.018 -0.450 1
1 830 . 15 1 1 A 78 78 GLY HA3 H 78 3.698 3.829 -0.131 1
1 831 . 15 1 1 A 78 78 GLY C C 78 172.263 173.395 -1.132 1
1 832 . 15 1 1 A 78 78 GLY HA2 H 78 4.323 3.807 0.516 1
1 833 . 15 1 1 A 79 79 THR N N 79 109.462 109.946 -0.484 1
1 834 . 15 1 1 A 79 79 THR H H 79 8.057 7.193 0.864 1
1 835 . 15 1 1 A 79 79 THR CA C 79 59.989 59.991 -0.002 1
1 836 . 15 1 1 A 79 79 THR HA H 79 5.566 5.040 0.526 1
1 837 . 15 1 1 A 79 79 THR CB C 79 72.712 72.736 -0.024 1
1 843 . 15 1 1 A 79 79 THR C C 79 173.868 171.855 2.013 1
1 844 . 15 1 1 A 80 80 TYR N N 80 116.428 118.859 -2.431 1
1 845 . 15 1 1 A 80 80 TYR H H 80 9.085 8.388 0.697 1
1 846 . 15 1 1 A 80 80 TYR CA C 80 56.533 56.570 -0.037 1
1 847 . 15 1 1 A 80 80 TYR HA H 80 5.372 5.065 0.307 1
1 848 . 15 1 1 A 80 80 TYR CB C 80 42.831 43.147 -0.316 1
1 858 . 15 1 1 A 80 80 TYR C C 80 175.327 174.573 0.754 1
1 860 . 15 1 1 A 81 81 ALA N N 81 126.743 124.034 2.709 1
1 861 . 15 1 1 A 81 81 ALA H H 81 9.302 8.531 0.771 1
1 862 . 15 1 1 A 81 81 ALA CA C 81 51.121 49.878 1.243 1
1 863 . 15 1 1 A 81 81 ALA HA H 81 5.149 5.448 -0.299 1
1 864 . 15 1 1 A 81 81 ALA CB C 81 22.111 22.802 -0.691 1
1 868 . 15 1 1 A 81 81 ALA C C 81 175.505 175.587 -0.082 1
1 869 . 15 1 1 A 82 82 VAL N N 82 124.472 120.079 4.393 1
1 870 . 15 1 1 A 82 82 VAL H H 82 8.940 8.262 0.678 1
1 871 . 15 1 1 A 82 82 VAL CA C 82 60.264 60.670 -0.406 1
1 872 . 15 1 1 A 82 82 VAL HA H 82 5.039 4.656 0.383 1
1 873 . 15 1 1 A 82 82 VAL CB C 82 33.236 35.095 -1.859 1
1 883 . 15 1 1 A 82 82 VAL C C 82 174.517 174.041 0.476 1
1 884 . 15 1 1 A 83 83 THR N N 83 121.500 123.043 -1.543 1
1 885 . 15 1 1 A 83 83 THR H H 83 8.717 8.186 0.531 1
1 886 . 15 1 1 A 83 83 THR CA C 83 61.075 61.704 -0.629 1
1 887 . 15 1 1 A 83 83 THR HA H 83 5.497 5.102 0.395 1
1 888 . 15 1 1 A 83 83 THR CB C 83 72.153 70.692 1.461 1
1 894 . 15 1 1 A 83 83 THR C C 83 173.515 173.424 0.091 1
1 895 . 15 1 1 A 84 84 TYR N N 84 122.841 121.039 1.802 1
1 896 . 15 1 1 A 84 84 TYR H H 84 9.014 8.711 0.303 1
1 897 . 15 1 1 A 84 84 TYR CA C 84 55.985 55.782 0.203 1
1 898 . 15 1 1 A 84 84 TYR HA H 84 4.979 5.354 -0.375 1
1 899 . 15 1 1 A 84 84 TYR CB C 84 41.967 41.819 0.148 1
1 909 . 15 1 1 A 84 84 TYR C C 84 171.873 172.986 -1.113 1
1 911 . 15 1 1 A 85 85 ILE N N 85 118.254 122.764 -4.510 1
1 912 . 15 1 1 A 85 85 ILE H H 85 8.805 8.910 -0.105 1
1 913 . 15 1 1 A 85 85 ILE CA C 85 57.883 58.077 -0.194 1
1 914 . 15 1 1 A 85 85 ILE HA H 85 4.550 4.518 0.032 1
1 915 . 15 1 1 A 85 85 ILE CB C 85 40.179 39.326 0.853 1
1 927 . 15 1 1 A 85 85 ILE C C 85 174.339 174.763 -0.424 1
1 929 . 15 1 1 A 86 86 PRO CA C 86 61.414 62.286 -0.872 1
1 930 . 15 1 1 A 86 86 PRO HA H 86 4.436 4.688 -0.252 1
1 931 . 15 1 1 A 86 86 PRO CB C 86 30.107 30.099 0.008 1
1 937 . 15 1 1 A 86 86 PRO C C 86 175.126 177.073 -1.947 1
1 941 . 15 1 1 A 87 87 ASP N N 87 123.447 123.055 0.392 1
1 942 . 15 1 1 A 87 87 ASP H H 87 8.501 8.541 -0.040 1
1 943 . 15 1 1 A 87 87 ASP CA C 87 55.668 57.749 -2.081 1
1 944 . 15 1 1 A 87 87 ASP HA H 87 4.263 4.472 -0.209 1
1 945 . 15 1 1 A 87 87 ASP CB C 87 40.930 41.538 -0.608 1
1 947 . 15 1 1 A 87 87 ASP C C 87 175.182 176.989 -1.807 1
1 949 . 15 1 1 A 88 88 LYS N N 88 116.947 116.270 0.677 1
1 950 . 15 1 1 A 88 88 LYS H H 88 7.683 7.861 -0.178 1
1 951 . 15 1 1 A 88 88 LYS CA C 88 54.995 55.819 -0.824 1
1 952 . 15 1 1 A 88 88 LYS HA H 88 4.588 4.696 -0.108 1
1 953 . 15 1 1 A 88 88 LYS CB C 88 34.821 33.898 0.923 1
1 961 . 15 1 1 A 88 88 LYS C C 88 177.529 176.280 1.249 1
1 966 . 15 1 1 A 89 89 THR N N 89 114.134 112.941 1.193 1
1 967 . 15 1 1 A 89 89 THR H H 89 8.588 8.463 0.125 1
1 968 . 15 1 1 A 89 89 THR CA C 89 62.828 61.616 1.212 1
1 969 . 15 1 1 A 89 89 THR HA H 89 4.083 4.633 -0.550 1
1 970 . 15 1 1 A 89 89 THR CB C 89 69.590 70.551 -0.961 1
1 976 . 15 1 1 A 89 89 THR C C 89 174.269 173.791 0.478 1
1 977 . 15 1 1 A 90 90 GLY N N 90 109.440 108.308 1.132 1
1 978 . 15 1 1 A 90 90 GLY H H 90 8.444 8.429 0.015 1
1 979 . 15 1 1 A 90 90 GLY CA C 90 44.648 44.154 0.494 1
1 980 . 15 1 1 A 90 90 GLY HA3 H 90 4.467 4.066 0.401 1
1 981 . 15 1 1 A 90 90 GLY C C 90 172.469 172.666 -0.197 1
1 982 . 15 1 1 A 90 90 GLY HA2 H 90 3.908 3.997 -0.089 1
1 983 . 15 1 1 A 91 91 ARG N N 91 120.781 120.532 0.249 1
1 984 . 15 1 1 A 91 91 ARG H H 91 8.271 8.142 0.129 1
1 985 . 15 1 1 A 91 91 ARG CA C 91 56.178 54.161 2.017 1
1 986 . 15 1 1 A 91 91 ARG HA H 91 4.951 5.372 -0.421 1
1 987 . 15 1 1 A 91 91 ARG CB C 91 31.986 33.672 -1.686 1
1 993 . 15 1 1 A 91 91 ARG C C 91 175.711 174.232 1.479 1
1 997 . 15 1 1 A 92 92 TYR N N 92 122.381 120.337 2.044 1
1 998 . 15 1 1 A 92 92 TYR H H 92 9.312 9.046 0.266 1
1 999 . 15 1 1 A 92 92 TYR CA C 92 56.886 56.810 0.076 1
1 1000 . 15 1 1 A 92 92 TYR HA H 92 4.960 5.229 -0.269 1
1 1001 . 15 1 1 A 92 92 TYR CB C 92 41.223 42.412 -1.189 1
1 1011 . 15 1 1 A 92 92 TYR C C 92 174.902 174.191 0.711 1
1 1013 . 15 1 1 A 93 93 MET N N 93 121.210 123.652 -2.442 1
1 1014 . 15 1 1 A 93 93 MET H H 93 8.819 8.694 0.125 1
1 1015 . 15 1 1 A 93 93 MET CA C 93 53.745 54.039 -0.294 1
1 1016 . 15 1 1 A 93 93 MET HA H 93 5.346 5.360 -0.014 1
1 1017 . 15 1 1 A 93 93 MET CB C 93 34.220 34.489 -0.269 1
1 1025 . 15 1 1 A 93 93 MET C C 93 175.365 174.566 0.799 1
1 1028 . 15 1 1 A 94 94 ILE N N 94 125.747 126.645 -0.898 1
1 1029 . 15 1 1 A 94 94 ILE H H 94 9.372 8.753 0.619 1
1 1030 . 15 1 1 A 94 94 ILE CA C 94 60.685 59.638 1.047 1
1 1031 . 15 1 1 A 94 94 ILE HA H 94 4.606 5.130 -0.524 1
1 1032 . 15 1 1 A 94 94 ILE CB C 94 39.188 39.291 -0.103 1
1 1044 . 15 1 1 A 94 94 ILE C C 94 174.987 175.266 -0.279 1
1 1046 . 15 1 1 A 95 95 GLY N N 95 116.553 115.252 1.301 1
1 1047 . 15 1 1 A 95 95 GLY H H 95 9.509 9.001 0.508 1
1 1048 . 15 1 1 A 95 95 GLY CA C 95 44.507 45.294 -0.787 1
1 1049 . 15 1 1 A 95 95 GLY HA3 H 95 3.605 4.200 -0.595 1
1 1050 . 15 1 1 A 95 95 GLY C C 95 173.175 172.014 1.161 1
1 1051 . 15 1 1 A 95 95 GLY HA2 H 95 4.606 4.165 0.441 1
1 1052 . 15 1 1 A 96 96 VAL N N 96 127.036 128.118 -1.082 1
1 1053 . 15 1 1 A 96 96 VAL H H 96 9.299 8.825 0.474 1
1 1054 . 15 1 1 A 96 96 VAL CA C 96 61.308 62.648 -1.340 1
1 1055 . 15 1 1 A 96 96 VAL HA H 96 4.889 4.508 0.381 1
1 1056 . 15 1 1 A 96 96 VAL CB C 96 34.145 32.644 1.501 1
1 1066 . 15 1 1 A 96 96 VAL C C 96 174.354 175.395 -1.041 1
1 1067 . 15 1 1 A 97 97 THR N N 97 115.219 117.586 -2.367 1
1 1068 . 15 1 1 A 97 97 THR H H 97 9.018 8.329 0.689 1
1 1069 . 15 1 1 A 97 97 THR CA C 97 57.826 59.984 -2.158 1
1 1070 . 15 1 1 A 97 97 THR HA H 97 5.265 5.184 0.081 1
1 1071 . 15 1 1 A 97 97 THR CB C 97 72.753 71.888 0.865 1
1 1077 . 15 1 1 A 97 97 THR C C 97 173.175 172.848 0.327 1
1 1078 . 15 1 1 A 98 98 TYR N N 98 122.768 124.420 -1.652 1
1 1079 . 15 1 1 A 98 98 TYR H H 98 9.149 9.220 -0.071 1
1 1080 . 15 1 1 A 98 98 TYR CA C 98 57.488 57.225 0.263 1
1 1081 . 15 1 1 A 98 98 TYR HA H 98 5.077 5.018 0.059 1
1 1082 . 15 1 1 A 98 98 TYR CB C 98 43.122 41.471 1.651 1
1 1092 . 15 1 1 A 98 98 TYR C C 98 175.949 175.531 0.418 1
1 1094 . 15 1 1 A 99 99 GLY N N 99 113.994 115.136 -1.142 1
1 1095 . 15 1 1 A 99 99 GLY H H 99 8.402 8.896 -0.494 1
1 1096 . 15 1 1 A 99 99 GLY CA C 99 45.010 46.511 -1.501 1
1 1097 . 15 1 1 A 99 99 GLY HA3 H 99 2.623 3.435 -0.812 1
1 1098 . 15 1 1 A 99 99 GLY C C 99 174.197 175.346 -1.149 1
1 1099 . 15 1 1 A 99 99 GLY HA2 H 99 3.220 3.196 0.024 1
1 1100 . 15 1 1 A 100 100 GLY N N 100 103.115 106.146 -3.031 1
1 1101 . 15 1 1 A 100 100 GLY H H 100 8.288 8.578 -0.290 1
1 1102 . 15 1 1 A 100 100 GLY CA C 100 44.170 46.422 -2.252 1
1 1103 . 15 1 1 A 100 100 GLY HA3 H 100 4.265 3.905 0.360 1
1 1104 . 15 1 1 A 100 100 GLY C C 100 173.054 173.392 -0.338 1
1 1105 . 15 1 1 A 100 100 GLY HA2 H 100 3.284 3.891 -0.607 1
1 1106 . 15 1 1 A 101 101 ASP N N 101 120.566 119.556 1.010 1
1 1107 . 15 1 1 A 101 101 ASP H H 101 7.245 7.936 -0.691 1
1 1108 . 15 1 1 A 101 101 ASP CA C 101 52.908 53.190 -0.282 1
1 1109 . 15 1 1 A 101 101 ASP HA H 101 5.012 5.088 -0.076 1
1 1110 . 15 1 1 A 101 101 ASP CB C 101 42.831 44.148 -1.317 1
1 1112 . 15 1 1 A 101 101 ASP C C 101 175.182 175.264 -0.082 1
1 1114 . 15 1 1 A 102 102 ASP N N 102 122.668 125.230 -2.562 1
1 1115 . 15 1 1 A 102 102 ASP H H 102 8.597 8.949 -0.352 1
1 1116 . 15 1 1 A 102 102 ASP CA C 102 56.233 54.507 1.726 1
1 1117 . 15 1 1 A 102 102 ASP HA H 102 4.667 4.617 0.050 1
1 1118 . 15 1 1 A 102 102 ASP CB C 102 42.373 41.095 1.278 1
1 1120 . 15 1 1 A 102 102 ASP C C 102 176.970 176.143 0.827 1
1 1122 . 15 1 1 A 103 103 ILE N N 103 117.672 118.553 -0.881 1
1 1123 . 15 1 1 A 103 103 ILE H H 103 7.887 8.561 -0.674 1
1 1124 . 15 1 1 A 103 103 ILE CA C 103 61.025 59.543 1.482 1
1 1125 . 15 1 1 A 103 103 ILE HA H 103 4.526 4.632 -0.106 1
1 1126 . 15 1 1 A 103 103 ILE CB C 103 35.534 37.700 -2.166 1
1 1138 . 15 1 1 A 103 103 ILE C C 103 173.902 176.443 -2.541 1
1 1140 . 15 1 1 A 104 104 PRO CA C 104 66.456 64.183 2.273 1
1 1141 . 15 1 1 A 104 104 PRO HA H 104 4.177 4.520 -0.343 1
1 1142 . 15 1 1 A 104 104 PRO CB C 104 31.709 31.530 0.179 1
1 1151 . 15 1 1 A 105 105 LEU N N 105 115.386 117.750 -2.364 1
1 1152 . 15 1 1 A 105 105 LEU H H 105 8.464 7.975 0.489 1
1 1153 . 15 1 1 A 105 105 LEU CA C 105 55.294 55.906 -0.612 1
1 1154 . 15 1 1 A 105 105 LEU HA H 105 3.845 4.220 -0.375 1
1 1155 . 15 1 1 A 105 105 LEU CB C 105 39.148 42.772 -3.624 1
1 1168 . 15 1 1 A 106 106 SER N N 106 111.669 114.465 -2.796 1
1 1169 . 15 1 1 A 106 106 SER H H 106 7.338 7.615 -0.277 1
1 1170 . 15 1 1 A 106 106 SER CA C 106 54.750 57.002 -2.252 1
1 1171 . 15 1 1 A 106 106 SER HA H 106 4.347 4.534 -0.187 1
1 1172 . 15 1 1 A 106 106 SER CB C 106 64.133 62.981 1.152 1
1 1175 . 15 1 1 A 107 107 PRO CA C 107 62.344 62.425 -0.081 1
1 1176 . 15 1 1 A 107 107 PRO HA H 107 5.323 4.766 0.557 1
1 1177 . 15 1 1 A 107 107 PRO CB C 107 33.977 32.913 1.064 1
1 1183 . 15 1 1 A 107 107 PRO C C 107 176.003 174.774 1.229 1
1 1187 . 15 1 1 A 108 108 TYR N N 108 122.832 119.078 3.754 1
1 1188 . 15 1 1 A 108 108 TYR H H 108 9.294 8.311 0.983 1
1 1189 . 15 1 1 A 108 108 TYR CA C 108 57.629 56.804 0.825 1
1 1190 . 15 1 1 A 108 108 TYR HA H 108 4.428 4.954 -0.526 1
1 1191 . 15 1 1 A 108 108 TYR CB C 108 40.091 41.482 -1.391 1
1 1201 . 15 1 1 A 108 108 TYR C C 108 175.851 175.129 0.722 1
1 1203 . 15 1 1 A 109 109 ARG N N 109 122.941 123.379 -0.438 1
1 1204 . 15 1 1 A 109 109 ARG H H 109 8.746 8.907 -0.161 1
1 1205 . 15 1 1 A 109 109 ARG CA C 109 55.259 55.882 -0.623 1
1 1206 . 15 1 1 A 109 109 ARG HA H 109 5.189 4.782 0.407 1
1 1207 . 15 1 1 A 109 109 ARG CB C 109 30.879 31.159 -0.280 1
1 1213 . 15 1 1 A 109 109 ARG C C 109 175.522 175.251 0.271 1
1 1217 . 15 1 1 A 110 110 ILE N N 110 125.109 124.772 0.337 1
1 1218 . 15 1 1 A 110 110 ILE H H 110 8.742 8.547 0.195 1
1 1219 . 15 1 1 A 110 110 ILE CA C 110 57.577 59.298 -1.721 1
1 1220 . 15 1 1 A 110 110 ILE HA H 110 4.758 4.909 -0.151 1
1 1221 . 15 1 1 A 110 110 ILE CB C 110 41.138 41.974 -0.836 1
1 1233 . 15 1 1 A 110 110 ILE C C 110 175.121 174.835 0.286 1
1 1235 . 15 1 1 A 111 111 ARG N N 111 125.357 124.660 0.697 1
1 1236 . 15 1 1 A 111 111 ARG H H 111 8.776 8.910 -0.134 1
1 1237 . 15 1 1 A 111 111 ARG CA C 111 54.730 53.929 0.801 1
1 1238 . 15 1 1 A 111 111 ARG HA H 111 5.053 5.392 -0.339 1
1 1239 . 15 1 1 A 111 111 ARG CB C 111 32.685 33.336 -0.651 1
1 1245 . 15 1 1 A 111 111 ARG C C 111 174.163 174.920 -0.757 1
1 1249 . 15 1 1 A 112 112 ALA N N 112 127.119 127.878 -0.759 1
1 1250 . 15 1 1 A 112 112 ALA H H 112 9.208 8.963 0.245 1
1 1251 . 15 1 1 A 112 112 ALA CA C 112 49.945 51.420 -1.475 1
1 1252 . 15 1 1 A 112 112 ALA HA H 112 5.851 4.822 1.029 1
1 1253 . 15 1 1 A 112 112 ALA CB C 112 21.329 19.637 1.692 1
1 1257 . 15 1 1 A 112 112 ALA C C 112 178.853 176.557 2.296 1
1 1258 . 15 1 1 A 113 113 THR N N 113 116.033 119.862 -3.829 1
1 1259 . 15 1 1 A 113 113 THR H H 113 8.995 8.707 0.288 1
1 1260 . 15 1 1 A 113 113 THR CA C 113 60.312 61.865 -1.553 1
1 1261 . 15 1 1 A 113 113 THR HA H 113 4.695 4.840 -0.145 1
1 1262 . 15 1 1 A 113 113 THR CB C 113 71.251 69.821 1.430 1
1 1268 . 15 1 1 A 113 113 THR C C 113 173.710 173.535 0.175 1
1 1269 . 15 1 1 A 114 114 GLN N N 114 122.122 128.411 -6.289 1
1 1270 . 15 1 1 A 114 114 GLN H H 114 8.753 8.821 -0.068 1
1 1271 . 15 1 1 A 114 114 GLN CA C 114 55.817 54.013 1.804 1
1 1272 . 15 1 1 A 114 114 GLN HA H 114 4.570 5.104 -0.534 1
1 1273 . 15 1 1 A 114 114 GLN CB C 114 30.106 32.487 -2.381 1
1 1280 . 15 1 1 A 114 114 GLN C C 114 176.106 174.460 1.646 1
1 1283 . 15 1 1 A 115 115 THR N N 115 117.345 113.706 3.639 1
1 1284 . 15 1 1 A 115 115 THR H H 115 8.493 8.527 -0.034 1
1 1285 . 15 1 1 A 115 115 THR CA C 115 62.328 59.787 2.541 1
1 1286 . 15 1 1 A 115 115 THR HA H 115 4.351 4.938 -0.587 1
1 1287 . 15 1 1 A 115 115 THR CB C 115 69.874 71.644 -1.770 1
1 1293 . 15 1 1 A 115 115 THR C C 115 175.158 173.582 1.576 1
1 1294 . 15 1 1 A 116 116 GLY N N 116 111.927 109.745 2.182 1
1 1295 . 15 1 1 A 116 116 GLY H H 116 8.559 8.378 0.181 1
1 1296 . 15 1 1 A 116 116 GLY CA C 116 45.315 44.442 0.873 1
1 1297 . 15 1 1 A 116 116 GLY HA3 H 116 3.934 4.159 -0.225 1
1 1298 . 15 1 1 A 116 116 GLY C C 116 173.820 172.501 1.319 1
1 1299 . 15 1 1 A 116 116 GLY HA2 H 116 4.030 4.159 -0.129 1
1 1300 . 15 1 1 A 117 117 ASP N N 117 120.643 120.208 0.435 1
1 1301 . 15 1 1 A 117 117 ASP H H 117 8.208 8.611 -0.403 1
1 1302 . 15 1 1 A 117 117 ASP CA C 117 54.393 52.281 2.112 1
1 1303 . 15 1 1 A 117 117 ASP HA H 117 4.615 5.183 -0.568 1
1 1304 . 15 1 1 A 117 117 ASP CB C 117 41.388 43.780 -2.392 1
1 1306 . 15 1 1 A 117 117 ASP C C 117 175.973 174.630 1.343 1
1 1308 . 15 1 1 A 118 118 ALA N N 118 124.934 123.330 1.604 1
1 1309 . 15 1 1 A 118 118 ALA H H 118 8.312 8.681 -0.369 1
1 1310 . 15 1 1 A 118 118 ALA CA C 118 52.447 50.448 1.999 1
1 1311 . 15 1 1 A 118 118 ALA HA H 118 4.415 5.175 -0.760 1
1 1312 . 15 1 1 A 118 118 ALA CB C 118 19.339 23.194 -3.855 1
1 1316 . 15 1 1 A 118 118 ALA C C 118 176.848 175.425 1.423 1
1 1 . 16 1 1 A 9 9 SER HA H 9 4.733 4.853 -0.120 1
1 2 . 16 1 1 A 10 10 PRO CA C 10 63.335 62.109 1.226 1
1 3 . 16 1 1 A 10 10 PRO HA H 10 4.399 4.190 0.209 1
1 4 . 16 1 1 A 10 10 PRO CB C 10 31.938 32.958 -1.020 1
1 10 . 16 1 1 A 10 10 PRO C C 10 176.442 175.637 0.805 1
1 14 . 16 1 1 A 11 11 PHE N N 11 119.801 116.480 3.321 1
1 15 . 16 1 1 A 11 11 PHE H H 11 8.036 8.252 -0.216 1
1 16 . 16 1 1 A 11 11 PHE CA C 11 57.505 55.845 1.660 1
1 17 . 16 1 1 A 11 11 PHE HA H 11 4.606 5.359 -0.753 1
1 18 . 16 1 1 A 11 11 PHE CB C 11 39.592 41.912 -2.320 1
1 30 . 16 1 1 A 11 11 PHE C C 11 175.401 175.174 0.227 1
1 32 . 16 1 1 A 12 12 LYS N N 12 123.563 118.032 5.531 1
1 33 . 16 1 1 A 12 12 LYS H H 12 8.112 8.735 -0.623 1
1 34 . 16 1 1 A 12 12 LYS CA C 12 56.175 55.796 0.379 1
1 35 . 16 1 1 A 12 12 LYS HA H 12 4.322 4.747 -0.425 1
1 36 . 16 1 1 A 12 12 LYS CB C 12 33.352 32.690 0.662 1
1 44 . 16 1 1 A 12 12 LYS C C 12 175.802 175.833 -0.031 1
1 49 . 16 1 1 A 13 13 VAL N N 13 122.071 119.536 2.535 1
1 50 . 16 1 1 A 13 13 VAL H H 13 8.080 7.613 0.467 1
1 51 . 16 1 1 A 13 13 VAL CA C 13 62.280 60.392 1.888 1
1 52 . 16 1 1 A 13 13 VAL HA H 13 4.036 4.712 -0.676 1
1 53 . 16 1 1 A 13 13 VAL CB C 13 32.895 36.309 -3.414 1
1 63 . 16 1 1 A 13 13 VAL C C 13 175.814 174.070 1.744 1
1 64 . 16 1 1 A 14 14 LYS N N 14 125.874 127.747 -1.873 1
1 65 . 16 1 1 A 14 14 LYS H H 14 8.392 8.770 -0.378 1
1 66 . 16 1 1 A 14 14 LYS CA C 14 56.250 54.620 1.630 1
1 67 . 16 1 1 A 14 14 LYS HA H 14 4.322 5.079 -0.757 1
1 68 . 16 1 1 A 14 14 LYS CB C 14 33.193 35.688 -2.495 1
1 73 . 16 1 1 A 14 14 LYS C C 14 175.973 174.871 1.102 1
1 75 . 16 1 1 A 15 15 VAL N N 15 123.129 120.805 2.324 1
1 76 . 16 1 1 A 15 15 VAL H H 15 8.204 8.804 -0.600 1
1 77 . 16 1 1 A 15 15 VAL CA C 15 62.033 58.847 3.186 1
1 78 . 16 1 1 A 15 15 VAL HA H 15 4.100 4.855 -0.755 1
1 79 . 16 1 1 A 15 15 VAL CB C 15 32.858 35.367 -2.509 1
1 89 . 16 1 1 A 15 15 VAL C C 15 175.717 175.251 0.466 1
1 90 . 16 1 1 A 16 16 LEU N N 16 127.971 124.116 3.855 1
1 91 . 16 1 1 A 16 16 LEU H H 16 8.378 8.395 -0.017 1
1 92 . 16 1 1 A 16 16 LEU CA C 16 52.885 53.976 -1.091 1
1 93 . 16 1 1 A 16 16 LEU HA H 16 4.624 4.269 0.355 1
1 94 . 16 1 1 A 16 16 LEU CB C 16 41.706 41.586 0.120 1
1 106 . 16 1 1 A 16 16 LEU C C 16 175.092 174.907 0.185 1
1 108 . 16 1 1 A 17 17 PRO CA C 17 62.704 62.425 0.279 1
1 109 . 16 1 1 A 17 17 PRO HA H 17 4.556 4.642 -0.086 1
1 110 . 16 1 1 A 17 17 PRO CB C 17 32.293 32.714 -0.421 1
1 116 . 16 1 1 A 17 17 PRO C C 17 177.319 176.712 0.607 1
1 120 . 16 1 1 A 18 18 THR N N 18 112.726 113.996 -1.270 1
1 121 . 16 1 1 A 18 18 THR H H 18 8.497 8.753 -0.256 1
1 122 . 16 1 1 A 18 18 THR CA C 18 62.335 63.654 -1.319 1
1 123 . 16 1 1 A 18 18 THR HA H 18 4.352 4.326 0.026 1
1 124 . 16 1 1 A 18 18 THR CB C 18 69.700 69.387 0.313 1
1 130 . 16 1 1 A 18 18 THR C C 18 173.418 174.816 -1.398 1
1 131 . 16 1 1 A 19 19 TYR N N 19 118.883 120.343 -1.460 1
1 132 . 16 1 1 A 19 19 TYR H H 19 7.244 7.720 -0.476 1
1 133 . 16 1 1 A 19 19 TYR CA C 19 55.270 57.941 -2.671 1
1 134 . 16 1 1 A 19 19 TYR HA H 19 5.404 4.560 0.844 1
1 135 . 16 1 1 A 19 19 TYR CB C 19 40.974 39.803 1.171 1
1 145 . 16 1 1 A 19 19 TYR C C 19 174.318 175.012 -0.694 1
1 147 . 16 1 1 A 20 20 ASP N N 20 118.193 119.693 -1.500 1
1 148 . 16 1 1 A 20 20 ASP H H 20 8.686 8.904 -0.218 1
1 149 . 16 1 1 A 20 20 ASP CA C 20 53.226 53.350 -0.124 1
1 150 . 16 1 1 A 20 20 ASP HA H 20 4.539 5.152 -0.613 1
1 151 . 16 1 1 A 20 20 ASP CB C 20 41.490 44.211 -2.721 1
1 153 . 16 1 1 A 20 20 ASP C C 20 176.349 176.074 0.275 1
1 155 . 16 1 1 A 21 21 ALA N N 21 127.255 127.290 -0.035 1
1 156 . 16 1 1 A 21 21 ALA H H 21 9.404 9.171 0.233 1
1 157 . 16 1 1 A 21 21 ALA CA C 21 55.157 55.416 -0.259 1
1 158 . 16 1 1 A 21 21 ALA HA H 21 4.204 4.192 0.012 1
1 159 . 16 1 1 A 21 21 ALA CB C 21 19.890 18.438 1.452 1
1 163 . 16 1 1 A 21 21 ALA C C 21 178.113 180.078 -1.965 1
1 164 . 16 1 1 A 22 22 SER N N 22 110.959 112.913 -1.954 1
1 165 . 16 1 1 A 22 22 SER H H 22 8.397 8.264 0.133 1
1 166 . 16 1 1 A 22 22 SER CA C 22 60.794 61.504 -0.710 1
1 167 . 16 1 1 A 22 22 SER HA H 22 4.363 4.279 0.084 1
1 168 . 16 1 1 A 22 22 SER CB C 22 62.850 62.560 0.290 1
1 170 . 16 1 1 A 22 22 SER C C 22 175.425 175.946 -0.521 1
1 172 . 16 1 1 A 23 23 LYS N N 23 119.671 118.612 1.059 1
1 173 . 16 1 1 A 23 23 LYS H H 23 7.366 7.497 -0.131 1
1 174 . 16 1 1 A 23 23 LYS CA C 23 54.818 55.937 -1.119 1
1 175 . 16 1 1 A 23 23 LYS HA H 23 4.368 4.397 -0.029 1
1 176 . 16 1 1 A 23 23 LYS CB C 23 33.063 32.454 0.609 1
1 184 . 16 1 1 A 23 23 LYS C C 23 176.544 174.766 1.778 1
1 189 . 16 1 1 A 24 24 VAL N N 24 123.377 119.831 3.546 1
1 190 . 16 1 1 A 24 24 VAL H H 24 7.392 7.435 -0.043 1
1 191 . 16 1 1 A 24 24 VAL CA C 24 62.722 61.329 1.393 1
1 192 . 16 1 1 A 24 24 VAL HA H 24 4.184 4.659 -0.475 1
1 193 . 16 1 1 A 24 24 VAL CB C 24 31.780 34.102 -2.322 1
1 203 . 16 1 1 A 24 24 VAL C C 24 175.644 175.282 0.362 1
1 204 . 16 1 1 A 25 25 THR N N 25 117.441 118.192 -0.751 1
1 205 . 16 1 1 A 25 25 THR H H 25 8.384 8.546 -0.162 1
1 206 . 16 1 1 A 25 25 THR CA C 25 59.858 59.928 -0.070 1
1 207 . 16 1 1 A 25 25 THR HA H 25 4.784 5.231 -0.447 1
1 208 . 16 1 1 A 25 25 THR CB C 25 71.687 71.820 -0.133 1
1 214 . 16 1 1 A 25 25 THR C C 25 172.360 173.552 -1.192 1
1 215 . 16 1 1 A 26 26 ALA N N 26 123.956 124.674 -0.718 1
1 216 . 16 1 1 A 26 26 ALA H H 26 8.440 8.872 -0.432 1
1 217 . 16 1 1 A 26 26 ALA CA C 26 51.022 50.537 0.485 1
1 218 . 16 1 1 A 26 26 ALA HA H 26 5.575 5.686 -0.111 1
1 219 . 16 1 1 A 26 26 ALA CB C 26 22.576 23.654 -1.078 1
1 223 . 16 1 1 A 26 26 ALA C C 26 176.301 175.416 0.885 1
1 224 . 16 1 1 A 27 27 SER N N 27 114.430 114.360 0.070 1
1 225 . 16 1 1 A 27 27 SER H H 27 9.021 8.779 0.242 1
1 226 . 16 1 1 A 27 27 SER CA C 27 57.771 57.288 0.483 1
1 227 . 16 1 1 A 27 27 SER HA H 27 4.745 5.226 -0.481 1
1 228 . 16 1 1 A 27 27 SER CB C 27 65.911 67.557 -1.646 1
1 230 . 16 1 1 A 27 27 SER C C 27 172.798 173.027 -0.229 1
1 232 . 16 1 1 A 28 28 GLY N N 28 108.618 110.159 -1.541 1
1 233 . 16 1 1 A 28 28 GLY H H 28 8.516 8.424 0.092 1
1 234 . 16 1 1 A 28 28 GLY CA C 28 44.966 44.465 0.501 1
1 235 . 16 1 1 A 28 28 GLY HA3 H 28 4.102 4.288 -0.186 1
1 236 . 16 1 1 A 28 28 GLY C C 28 173.392 174.051 -0.659 1
1 237 . 16 1 1 A 28 28 GLY HA2 H 28 5.026 4.254 0.772 1
1 238 . 16 1 1 A 29 29 PRO CA C 29 65.446 65.025 0.421 1
1 239 . 16 1 1 A 29 29 PRO HA H 29 4.399 4.455 -0.056 1
1 240 . 16 1 1 A 29 29 PRO CB C 29 31.739 32.076 -0.337 1
1 246 . 16 1 1 A 29 29 PRO C C 29 179.804 178.596 1.208 1
1 250 . 16 1 1 A 30 30 GLY N N 30 103.199 106.010 -2.811 1
1 251 . 16 1 1 A 30 30 GLY H H 30 9.156 8.516 0.640 1
1 252 . 16 1 1 A 30 30 GLY CA C 30 46.458 47.015 -0.557 1
1 253 . 16 1 1 A 30 30 GLY HA3 H 30 3.331 4.372 -1.041 1
1 254 . 16 1 1 A 30 30 GLY C C 30 171.694 174.754 -3.060 1
1 255 . 16 1 1 A 30 30 GLY HA2 H 30 4.062 4.219 -0.157 1
1 256 . 16 1 1 A 31 31 LEU N N 31 116.112 119.674 -3.562 1
1 257 . 16 1 1 A 31 31 LEU H H 31 7.351 7.783 -0.432 1
1 258 . 16 1 1 A 31 31 LEU CA C 31 52.607 54.233 -1.626 1
1 259 . 16 1 1 A 31 31 LEU HA H 31 4.269 4.598 -0.329 1
1 260 . 16 1 1 A 31 31 LEU CB C 31 41.265 41.985 -0.720 1
1 272 . 16 1 1 A 31 31 LEU C C 31 176.751 176.246 0.505 1
1 274 . 16 1 1 A 32 32 SER N N 32 114.056 117.779 -3.723 1
1 275 . 16 1 1 A 32 32 SER H H 32 6.986 7.903 -0.917 1
1 276 . 16 1 1 A 32 32 SER CA C 32 58.750 57.783 0.967 1
1 277 . 16 1 1 A 32 32 SER HA H 32 4.268 4.397 -0.129 1
1 278 . 16 1 1 A 32 32 SER CB C 32 64.571 64.052 0.519 1
1 280 . 16 1 1 A 32 32 SER C C 32 176.483 175.364 1.119 1
1 282 . 16 1 1 A 33 33 SER N N 33 123.249 123.248 0.001 1
1 283 . 16 1 1 A 33 33 SER H H 33 8.887 8.707 0.180 1
1 284 . 16 1 1 A 33 33 SER CA C 33 60.176 61.297 -1.121 1
1 285 . 16 1 1 A 33 33 SER HA H 33 4.409 4.001 0.408 1
1 286 . 16 1 1 A 33 33 SER CB C 33 63.098 62.107 0.991 1
1 288 . 16 1 1 A 33 33 SER C C 33 174.922 175.783 -0.861 1
1 290 . 16 1 1 A 34 34 TYR N N 34 120.641 119.726 0.915 1
1 291 . 16 1 1 A 34 34 TYR H H 34 8.225 7.421 0.804 1
1 292 . 16 1 1 A 34 34 TYR CA C 34 58.266 60.009 -1.743 1
1 293 . 16 1 1 A 34 34 TYR HA H 34 4.622 4.385 0.237 1
1 294 . 16 1 1 A 34 34 TYR CB C 34 38.478 38.707 -0.229 1
1 304 . 16 1 1 A 34 34 TYR C C 34 175.881 176.011 -0.130 1
1 306 . 16 1 1 A 35 35 GLY N N 35 109.142 106.056 3.086 1
1 307 . 16 1 1 A 35 35 GLY H H 35 7.416 7.406 0.010 1
1 308 . 16 1 1 A 35 35 GLY CA C 35 44.524 44.515 0.009 1
1 309 . 16 1 1 A 35 35 GLY HA3 H 35 4.411 4.133 0.278 1
1 310 . 16 1 1 A 35 35 GLY C C 35 172.956 172.280 0.676 1
1 311 . 16 1 1 A 35 35 GLY HA2 H 35 4.324 4.127 0.197 1
1 312 . 16 1 1 A 36 36 VAL N N 36 116.841 115.880 0.961 1
1 313 . 16 1 1 A 36 36 VAL H H 36 8.617 8.383 0.234 1
1 314 . 16 1 1 A 36 36 VAL CA C 36 57.700 58.106 -0.406 1
1 315 . 16 1 1 A 36 36 VAL HA H 36 4.880 5.006 -0.126 1
1 316 . 16 1 1 A 36 36 VAL CB C 36 33.474 33.877 -0.403 1
1 326 . 16 1 1 A 36 36 VAL C C 36 173.489 173.517 -0.028 1
1 327 . 16 1 1 A 37 37 PRO CA C 37 62.200 62.409 -0.209 1
1 328 . 16 1 1 A 37 37 PRO HA H 37 4.646 4.715 -0.069 1
1 329 . 16 1 1 A 37 37 PRO CB C 37 31.876 31.798 0.078 1
1 335 . 16 1 1 A 37 37 PRO C C 37 177.148 176.948 0.200 1
1 339 . 16 1 1 A 38 38 ALA N N 38 124.330 125.009 -0.679 1
1 340 . 16 1 1 A 38 38 ALA H H 38 8.591 8.350 0.241 1
1 341 . 16 1 1 A 38 38 ALA CA C 38 52.606 52.512 0.094 1
1 342 . 16 1 1 A 38 38 ALA HA H 38 4.189 4.277 -0.088 1
1 343 . 16 1 1 A 38 38 ALA CB C 38 18.928 19.873 -0.945 1
1 347 . 16 1 1 A 38 38 ALA C C 38 178.418 177.818 0.600 1
1 348 . 16 1 1 A 39 39 SER N N 39 109.435 111.592 -2.157 1
1 349 . 16 1 1 A 39 39 SER H H 39 8.687 8.385 0.302 1
1 350 . 16 1 1 A 39 39 SER CA C 39 61.147 58.940 2.207 1
1 351 . 16 1 1 A 39 39 SER HA H 39 3.770 3.988 -0.218 1
1 352 . 16 1 1 A 39 39 SER CB C 39 62.322 61.821 0.501 1
1 354 . 16 1 1 A 39 39 SER C C 39 172.372 172.829 -0.457 1
1 356 . 16 1 1 A 40 40 LEU N N 40 121.668 119.973 1.695 1
1 357 . 16 1 1 A 40 40 LEU H H 40 6.981 7.768 -0.787 1
1 358 . 16 1 1 A 40 40 LEU CA C 40 51.707 50.944 0.763 1
1 359 . 16 1 1 A 40 40 LEU HA H 40 4.890 4.711 0.179 1
1 360 . 16 1 1 A 40 40 LEU CB C 40 43.441 45.655 -2.214 1
1 372 . 16 1 1 A 40 40 LEU C C 40 173.635 174.050 -0.415 1
1 374 . 16 1 1 A 41 41 PRO CA C 41 62.683 62.358 0.325 1
1 375 . 16 1 1 A 41 41 PRO HA H 41 4.490 4.639 -0.149 1
1 376 . 16 1 1 A 41 41 PRO CB C 41 31.415 31.273 0.142 1
1 382 . 16 1 1 A 41 41 PRO C C 41 175.540 175.223 0.317 1
1 386 . 16 1 1 A 42 42 VAL N N 42 124.505 122.659 1.846 1
1 387 . 16 1 1 A 42 42 VAL H H 42 8.917 7.802 1.115 1
1 388 . 16 1 1 A 42 42 VAL CA C 42 60.282 59.441 0.841 1
1 389 . 16 1 1 A 42 42 VAL HA H 42 4.408 4.688 -0.280 1
1 390 . 16 1 1 A 42 42 VAL CB C 42 34.522 34.715 -0.193 1
1 400 . 16 1 1 A 42 42 VAL C C 42 171.180 173.983 -2.803 1
1 401 . 16 1 1 A 43 43 ASP N N 43 121.538 126.884 -5.346 1
1 402 . 16 1 1 A 43 43 ASP H H 43 7.549 9.056 -1.507 1
1 403 . 16 1 1 A 43 43 ASP CA C 43 51.968 52.267 -0.299 1
1 404 . 16 1 1 A 43 43 ASP HA H 43 6.324 5.666 0.658 1
1 405 . 16 1 1 A 43 43 ASP CB C 43 44.949 44.927 0.022 1
1 407 . 16 1 1 A 43 43 ASP C C 43 177.711 174.849 2.862 1
1 409 . 16 1 1 A 44 44 PHE N N 44 112.517 117.331 -4.814 1
1 410 . 16 1 1 A 44 44 PHE H H 44 9.044 7.639 1.405 1
1 411 . 16 1 1 A 44 44 PHE CA C 44 57.658 54.861 2.797 1
1 412 . 16 1 1 A 44 44 PHE HA H 44 5.069 5.416 -0.347 1
1 413 . 16 1 1 A 44 44 PHE CB C 44 41.220 42.045 -0.825 1
1 425 . 16 1 1 A 44 44 PHE C C 44 171.679 173.493 -1.814 1
1 427 . 16 1 1 A 45 45 ALA N N 45 123.935 121.255 2.680 1
1 428 . 16 1 1 A 45 45 ALA H H 45 9.468 9.002 0.466 1
1 429 . 16 1 1 A 45 45 ALA CA C 45 50.855 50.459 0.396 1
1 430 . 16 1 1 A 45 45 ALA HA H 45 5.379 5.313 0.066 1
1 431 . 16 1 1 A 45 45 ALA CB C 45 22.496 22.283 0.213 1
1 435 . 16 1 1 A 45 45 ALA C C 45 176.715 175.753 0.962 1
1 436 . 16 1 1 A 46 46 ILE N N 46 119.530 123.097 -3.567 1
1 437 . 16 1 1 A 46 46 ILE H H 46 8.686 9.548 -0.862 1
1 438 . 16 1 1 A 46 46 ILE CA C 46 59.561 60.475 -0.914 1
1 439 . 16 1 1 A 46 46 ILE HA H 46 4.863 4.886 -0.023 1
1 440 . 16 1 1 A 46 46 ILE CB C 46 41.370 38.907 2.463 1
1 452 . 16 1 1 A 46 46 ILE C C 46 174.379 174.396 -0.017 1
1 454 . 16 1 1 A 47 47 ASP N N 47 127.143 128.236 -1.093 1
1 455 . 16 1 1 A 47 47 ASP H H 47 9.281 9.254 0.027 1
1 456 . 16 1 1 A 47 47 ASP CA C 47 53.297 52.510 0.787 1
1 457 . 16 1 1 A 47 47 ASP HA H 47 4.976 5.390 -0.414 1
1 458 . 16 1 1 A 47 47 ASP CB C 47 41.371 42.293 -0.922 1
1 460 . 16 1 1 A 47 47 ASP C C 47 174.962 174.981 -0.019 1
1 462 . 16 1 1 A 48 48 ALA N N 48 129.371 127.402 1.969 1
1 463 . 16 1 1 A 48 48 ALA H H 48 9.078 8.667 0.411 1
1 464 . 16 1 1 A 48 48 ALA CA C 48 50.554 50.634 -0.080 1
1 465 . 16 1 1 A 48 48 ALA HA H 48 4.641 4.938 -0.297 1
1 466 . 16 1 1 A 48 48 ALA CB C 48 19.699 20.808 -1.109 1
1 470 . 16 1 1 A 48 48 ALA C C 48 179.317 176.604 2.713 1
1 471 . 16 1 1 A 49 49 ARG N N 49 122.060 124.509 -2.449 1
1 472 . 16 1 1 A 49 49 ARG H H 49 8.590 8.801 -0.211 1
1 473 . 16 1 1 A 49 49 ARG CA C 49 60.964 57.605 3.359 1
1 474 . 16 1 1 A 49 49 ARG HA H 49 3.987 4.488 -0.501 1
1 475 . 16 1 1 A 49 49 ARG CB C 49 30.654 31.272 -0.618 1
1 483 . 16 1 1 A 49 49 ARG C C 49 178.077 176.894 1.183 1
1 487 . 16 1 1 A 50 50 ASP N N 50 116.664 116.305 0.359 1
1 488 . 16 1 1 A 50 50 ASP H H 50 8.794 7.993 0.801 1
1 489 . 16 1 1 A 50 50 ASP CA C 50 53.827 53.547 0.280 1
1 490 . 16 1 1 A 50 50 ASP HA H 50 5.040 4.957 0.083 1
1 491 . 16 1 1 A 50 50 ASP CB C 50 41.595 41.708 -0.113 1
1 493 . 16 1 1 A 50 50 ASP C C 50 175.754 176.476 -0.722 1
1 495 . 16 1 1 A 51 51 ALA N N 51 121.173 122.410 -1.237 1
1 496 . 16 1 1 A 51 51 ALA H H 51 7.406 7.841 -0.435 1
1 497 . 16 1 1 A 51 51 ALA CA C 51 52.147 51.754 0.393 1
1 498 . 16 1 1 A 51 51 ALA HA H 51 4.414 4.332 0.082 1
1 499 . 16 1 1 A 51 51 ALA CB C 51 23.427 18.808 4.619 1
1 503 . 16 1 1 A 51 51 ALA C C 51 176.763 177.743 -0.980 1
1 504 . 16 1 1 A 52 52 GLY N N 52 108.187 106.845 1.342 1
1 505 . 16 1 1 A 52 52 GLY H H 52 8.521 8.125 0.396 1
1 506 . 16 1 1 A 52 52 GLY CA C 52 45.210 46.400 -1.190 1
1 507 . 16 1 1 A 52 52 GLY HA3 H 52 3.859 4.004 -0.145 1
1 508 . 16 1 1 A 52 52 GLY C C 52 175.060 173.452 1.608 1
1 509 . 16 1 1 A 52 52 GLY HA2 H 52 4.492 3.958 0.534 1
1 510 . 16 1 1 A 53 53 GLU N N 53 124.810 122.618 2.192 1
1 511 . 16 1 1 A 53 53 GLU H H 53 8.643 8.755 -0.112 1
1 512 . 16 1 1 A 53 53 GLU CA C 53 56.352 55.362 0.990 1
1 513 . 16 1 1 A 53 53 GLU HA H 53 4.663 5.207 -0.544 1
1 514 . 16 1 1 A 53 53 GLU CB C 53 31.164 31.888 -0.724 1
1 518 . 16 1 1 A 53 53 GLU C C 53 173.491 175.745 -2.254 1
1 521 . 16 1 1 A 54 54 GLY N N 54 111.417 111.793 -0.376 1
1 522 . 16 1 1 A 54 54 GLY H H 54 7.465 8.801 -1.336 1
1 523 . 16 1 1 A 54 54 GLY CA C 54 43.622 44.244 -0.622 1
1 524 . 16 1 1 A 54 54 GLY HA3 H 54 2.287 4.205 -1.918 1
1 525 . 16 1 1 A 54 54 GLY C C 54 170.013 171.458 -1.445 1
1 526 . 16 1 1 A 54 54 GLY HA2 H 54 3.819 3.986 -0.167 1
1 527 . 16 1 1 A 55 55 LEU N N 55 117.446 122.816 -5.370 1
1 528 . 16 1 1 A 55 55 LEU H H 55 7.461 7.959 -0.498 1
1 529 . 16 1 1 A 55 55 LEU CA C 55 54.041 54.531 -0.490 1
1 530 . 16 1 1 A 55 55 LEU HA H 55 4.293 4.279 0.014 1
1 531 . 16 1 1 A 55 55 LEU CB C 55 42.832 42.458 0.374 1
1 543 . 16 1 1 A 55 55 LEU C C 55 176.872 175.187 1.685 1
1 545 . 16 1 1 A 56 56 LEU N N 56 131.840 128.608 3.232 1
1 546 . 16 1 1 A 56 56 LEU H H 56 8.791 8.613 0.178 1
1 547 . 16 1 1 A 56 56 LEU CA C 56 53.807 53.352 0.455 1
1 548 . 16 1 1 A 56 56 LEU HA H 56 5.053 4.788 0.265 1
1 549 . 16 1 1 A 56 56 LEU CB C 56 43.113 44.185 -1.072 1
1 561 . 16 1 1 A 56 56 LEU C C 56 175.389 174.965 0.424 1
1 563 . 16 1 1 A 57 57 ALA N N 57 130.035 127.030 3.005 1
1 564 . 16 1 1 A 57 57 ALA H H 57 8.880 8.373 0.507 1
1 565 . 16 1 1 A 57 57 ALA CA C 57 51.758 51.477 0.281 1
1 566 . 16 1 1 A 57 57 ALA HA H 57 4.641 4.945 -0.304 1
1 567 . 16 1 1 A 57 57 ALA CB C 57 21.820 23.342 -1.522 1
1 571 . 16 1 1 A 57 57 ALA C C 57 174.647 175.022 -0.375 1
1 572 . 16 1 1 A 58 58 VAL N N 58 120.958 121.006 -0.048 1
1 573 . 16 1 1 A 58 58 VAL H H 58 8.443 8.893 -0.450 1
1 574 . 16 1 1 A 58 58 VAL CA C 58 60.495 59.486 1.009 1
1 575 . 16 1 1 A 58 58 VAL HA H 58 4.988 5.017 -0.029 1
1 576 . 16 1 1 A 58 58 VAL CB C 58 34.639 34.655 -0.016 1
1 586 . 16 1 1 A 58 58 VAL C C 58 174.646 173.682 0.964 1
1 587 . 16 1 1 A 59 59 GLN N N 59 127.048 127.787 -0.739 1
1 588 . 16 1 1 A 59 59 GLN H H 59 9.196 8.850 0.346 1
1 589 . 16 1 1 A 59 59 GLN CA C 59 54.587 54.649 -0.062 1
1 590 . 16 1 1 A 59 59 GLN HA H 59 4.706 4.888 -0.182 1
1 591 . 16 1 1 A 59 59 GLN CB C 59 31.580 30.818 0.762 1
1 598 . 16 1 1 A 59 59 GLN C C 59 174.197 174.167 0.030 1
1 601 . 16 1 1 A 60 60 ILE N N 60 127.617 127.586 0.031 1
1 602 . 16 1 1 A 60 60 ILE H H 60 9.299 8.965 0.334 1
1 603 . 16 1 1 A 60 60 ILE CA C 60 60.506 60.048 0.458 1
1 604 . 16 1 1 A 60 60 ILE HA H 60 5.210 4.975 0.235 1
1 605 . 16 1 1 A 60 60 ILE CB C 60 39.172 39.600 -0.428 1
1 617 . 16 1 1 A 60 60 ILE C C 60 175.608 174.923 0.685 1
1 619 . 16 1 1 A 61 61 THR N N 61 119.733 117.145 2.588 1
1 620 . 16 1 1 A 61 61 THR H H 61 8.924 8.662 0.262 1
1 621 . 16 1 1 A 61 61 THR CA C 61 59.565 59.450 0.115 1
1 622 . 16 1 1 A 61 61 THR HA H 61 5.173 5.596 -0.423 1
1 623 . 16 1 1 A 61 61 THR CB C 61 72.121 72.844 -0.723 1
1 629 . 16 1 1 A 61 61 THR C C 61 174.051 172.642 1.409 1
1 630 . 16 1 1 A 62 62 ASP N N 62 122.337 123.690 -1.353 1
1 631 . 16 1 1 A 62 62 ASP H H 62 8.484 8.411 0.073 1
1 632 . 16 1 1 A 62 62 ASP CA C 62 52.200 52.748 -0.548 1
1 633 . 16 1 1 A 62 62 ASP HA H 62 4.425 5.156 -0.731 1
1 634 . 16 1 1 A 62 62 ASP CB C 62 42.222 43.070 -0.848 1
1 636 . 16 1 1 A 62 62 ASP C C 62 179.086 177.404 1.682 1
1 638 . 16 1 1 A 63 63 GLN N N 63 118.341 122.275 -3.934 1
1 639 . 16 1 1 A 63 63 GLN H H 63 8.250 8.831 -0.581 1
1 640 . 16 1 1 A 63 63 GLN CA C 63 58.406 58.680 -0.274 1
1 641 . 16 1 1 A 63 63 GLN HA H 63 4.049 4.088 -0.039 1
1 642 . 16 1 1 A 63 63 GLN CB C 63 28.127 28.109 0.018 1
1 649 . 16 1 1 A 63 63 GLN C C 63 177.152 178.028 -0.876 1
1 652 . 16 1 1 A 64 64 GLU N N 64 119.134 118.645 0.489 1
1 653 . 16 1 1 A 64 64 GLU H H 64 8.120 7.836 0.284 1
1 654 . 16 1 1 A 64 64 GLU CA C 64 55.790 57.073 -1.283 1
1 655 . 16 1 1 A 64 64 GLU HA H 64 4.423 4.383 0.040 1
1 656 . 16 1 1 A 64 64 GLU CB C 64 30.102 30.353 -0.251 1
1 660 . 16 1 1 A 64 64 GLU C C 64 176.374 176.630 -0.256 1
1 663 . 16 1 1 A 65 65 GLY N N 65 108.728 108.034 0.694 1
1 664 . 16 1 1 A 65 65 GLY H H 65 8.306 7.877 0.429 1
1 665 . 16 1 1 A 65 65 GLY CA C 65 45.285 45.511 -0.226 1
1 666 . 16 1 1 A 65 65 GLY HA3 H 65 3.561 4.052 -0.491 1
1 667 . 16 1 1 A 65 65 GLY C C 65 174.342 174.327 0.015 1
1 668 . 16 1 1 A 65 65 GLY HA2 H 65 4.203 4.041 0.162 1
1 669 . 16 1 1 A 66 66 LYS N N 66 123.502 119.944 3.558 1
1 670 . 16 1 1 A 66 66 LYS H H 66 8.528 7.838 0.690 1
1 671 . 16 1 1 A 66 66 LYS CA C 66 53.738 53.630 0.108 1
1 672 . 16 1 1 A 66 66 LYS HA H 66 4.613 4.534 0.079 1
1 673 . 16 1 1 A 66 66 LYS CB C 66 31.167 32.136 -0.969 1
1 681 . 16 1 1 A 66 66 LYS C C 66 174.752 174.338 0.414 1
1 686 . 16 1 1 A 67 67 PRO CA C 67 62.433 62.696 -0.263 1
1 687 . 16 1 1 A 67 67 PRO HA H 67 5.062 4.694 0.368 1
1 688 . 16 1 1 A 67 67 PRO CB C 67 32.725 31.893 0.832 1
1 694 . 16 1 1 A 67 67 PRO C C 67 177.270 176.008 1.262 1
1 698 . 16 1 1 A 68 68 LYS N N 68 121.461 121.772 -0.311 1
1 699 . 16 1 1 A 68 68 LYS H H 68 8.419 8.080 0.339 1
1 700 . 16 1 1 A 68 68 LYS CA C 68 52.023 54.639 -2.616 1
1 701 . 16 1 1 A 68 68 LYS HA H 68 4.797 4.883 -0.086 1
1 702 . 16 1 1 A 68 68 LYS CB C 68 32.611 35.193 -2.582 1
1 710 . 16 1 1 A 68 68 LYS C C 68 175.389 175.098 0.291 1
1 715 . 16 1 1 A 69 69 ARG N N 69 124.040 123.325 0.715 1
1 716 . 16 1 1 A 69 69 ARG H H 69 8.683 8.572 0.111 1
1 717 . 16 1 1 A 69 69 ARG CA C 69 57.045 56.033 1.012 1
1 718 . 16 1 1 A 69 69 ARG HA H 69 4.221 4.574 -0.353 1
1 719 . 16 1 1 A 69 69 ARG CB C 69 30.712 30.861 -0.149 1
1 725 . 16 1 1 A 69 69 ARG C C 69 174.877 175.029 -0.152 1
1 729 . 16 1 1 A 70 70 ALA N N 70 127.074 129.684 -2.610 1
1 730 . 16 1 1 A 70 70 ALA H H 70 8.421 8.991 -0.570 1
1 731 . 16 1 1 A 70 70 ALA CA C 70 50.360 50.114 0.246 1
1 732 . 16 1 1 A 70 70 ALA HA H 70 4.859 5.343 -0.484 1
1 733 . 16 1 1 A 70 70 ALA CB C 70 20.569 21.105 -0.536 1
1 737 . 16 1 1 A 70 70 ALA C C 70 176.313 176.052 0.261 1
1 738 . 16 1 1 A 71 71 ILE N N 71 124.496 123.413 1.083 1
1 739 . 16 1 1 A 71 71 ILE H H 71 8.943 9.032 -0.089 1
1 740 . 16 1 1 A 71 71 ILE CA C 71 60.870 60.334 0.536 1
1 741 . 16 1 1 A 71 71 ILE HA H 71 4.195 4.643 -0.448 1
1 742 . 16 1 1 A 71 71 ILE CB C 71 38.457 38.789 -0.332 1
1 754 . 16 1 1 A 71 71 ILE C C 71 175.027 174.992 0.035 1
1 756 . 16 1 1 A 72 72 VAL N N 72 128.410 127.325 1.085 1
1 757 . 16 1 1 A 72 72 VAL H H 72 8.714 8.933 -0.219 1
1 758 . 16 1 1 A 72 72 VAL CA C 72 61.867 59.697 2.170 1
1 759 . 16 1 1 A 72 72 VAL HA H 72 4.478 5.004 -0.526 1
1 760 . 16 1 1 A 72 72 VAL CB C 72 32.745 34.306 -1.561 1
1 770 . 16 1 1 A 72 72 VAL C C 72 175.279 173.227 2.052 1
1 771 . 16 1 1 A 73 73 HIS N N 73 129.084 129.691 -0.607 1
1 772 . 16 1 1 A 73 73 HIS H H 73 9.783 9.047 0.736 1
1 773 . 16 1 1 A 73 73 HIS CA C 73 55.366 53.977 1.389 1
1 774 . 16 1 1 A 73 73 HIS HA H 73 4.849 5.307 -0.458 1
1 775 . 16 1 1 A 73 73 HIS CB C 73 31.465 33.176 -1.711 1
1 781 . 16 1 1 A 73 73 HIS C C 73 173.491 172.995 0.496 1
1 783 . 16 1 1 A 74 74 ASP N N 74 127.118 126.019 1.099 1
1 784 . 16 1 1 A 74 74 ASP H H 74 8.541 8.652 -0.111 1
1 785 . 16 1 1 A 74 74 ASP CA C 74 53.048 53.310 -0.262 1
1 786 . 16 1 1 A 74 74 ASP HA H 74 4.476 5.330 -0.854 1
1 787 . 16 1 1 A 74 74 ASP CB C 74 41.554 43.097 -1.543 1
1 789 . 16 1 1 A 74 74 ASP C C 74 175.936 175.796 0.140 1
1 791 . 16 1 1 A 75 75 ASN N N 75 124.002 122.890 1.112 1
1 792 . 16 1 1 A 75 75 ASN H H 75 7.827 8.857 -1.030 1
1 793 . 16 1 1 A 75 75 ASN CA C 75 54.517 53.204 1.313 1
1 794 . 16 1 1 A 75 75 ASN HA H 75 4.572 4.973 -0.401 1
1 795 . 16 1 1 A 75 75 ASN CB C 75 38.091 39.829 -1.738 1
1 800 . 16 1 1 A 75 75 ASN C C 75 175.352 174.910 0.442 1
1 802 . 16 1 1 A 76 76 LYS N N 76 114.689 115.425 -0.736 1
1 803 . 16 1 1 A 76 76 LYS H H 76 9.246 7.751 1.495 1
1 804 . 16 1 1 A 76 76 LYS CA C 76 57.428 57.158 0.270 1
1 805 . 16 1 1 A 76 76 LYS HA H 76 3.882 3.911 -0.029 1
1 806 . 16 1 1 A 76 76 LYS CB C 76 28.223 29.010 -0.787 1
1 814 . 16 1 1 A 76 76 LYS C C 76 174.975 176.052 -1.077 1
1 819 . 16 1 1 A 77 77 ASP N N 77 117.462 117.996 -0.534 1
1 820 . 16 1 1 A 77 77 ASP H H 77 7.831 8.557 -0.726 1
1 821 . 16 1 1 A 77 77 ASP CA C 77 52.168 53.098 -0.930 1
1 822 . 16 1 1 A 77 77 ASP HA H 77 4.706 4.837 -0.131 1
1 823 . 16 1 1 A 77 77 ASP CB C 77 41.224 41.474 -0.250 1
1 825 . 16 1 1 A 77 77 ASP C C 77 176.739 176.513 0.226 1
1 827 . 16 1 1 A 78 78 GLY N N 78 109.485 108.718 0.767 1
1 828 . 16 1 1 A 78 78 GLY H H 78 8.658 8.502 0.156 1
1 829 . 16 1 1 A 78 78 GLY CA C 78 45.568 46.197 -0.629 1
1 830 . 16 1 1 A 78 78 GLY HA3 H 78 3.698 3.882 -0.184 1
1 831 . 16 1 1 A 78 78 GLY C C 78 172.263 173.399 -1.136 1
1 832 . 16 1 1 A 78 78 GLY HA2 H 78 4.323 3.863 0.460 1
1 833 . 16 1 1 A 79 79 THR N N 79 109.462 109.799 -0.337 1
1 834 . 16 1 1 A 79 79 THR H H 79 8.057 7.159 0.898 1
1 835 . 16 1 1 A 79 79 THR CA C 79 59.989 60.035 -0.046 1
1 836 . 16 1 1 A 79 79 THR HA H 79 5.566 5.027 0.539 1
1 837 . 16 1 1 A 79 79 THR CB C 79 72.712 72.341 0.371 1
1 843 . 16 1 1 A 79 79 THR C C 79 173.868 171.874 1.994 1
1 844 . 16 1 1 A 80 80 TYR N N 80 116.428 119.112 -2.684 1
1 845 . 16 1 1 A 80 80 TYR H H 80 9.085 8.393 0.692 1
1 846 . 16 1 1 A 80 80 TYR CA C 80 56.533 56.492 0.041 1
1 847 . 16 1 1 A 80 80 TYR HA H 80 5.372 5.140 0.232 1
1 848 . 16 1 1 A 80 80 TYR CB C 80 42.831 43.167 -0.336 1
1 858 . 16 1 1 A 80 80 TYR C C 80 175.327 174.661 0.666 1
1 860 . 16 1 1 A 81 81 ALA N N 81 126.743 124.119 2.624 1
1 861 . 16 1 1 A 81 81 ALA H H 81 9.302 8.972 0.330 1
1 862 . 16 1 1 A 81 81 ALA CA C 81 51.121 49.839 1.282 1
1 863 . 16 1 1 A 81 81 ALA HA H 81 5.149 5.610 -0.461 1
1 864 . 16 1 1 A 81 81 ALA CB C 81 22.111 22.744 -0.633 1
1 868 . 16 1 1 A 81 81 ALA C C 81 175.505 175.649 -0.144 1
1 869 . 16 1 1 A 82 82 VAL N N 82 124.472 120.167 4.305 1
1 870 . 16 1 1 A 82 82 VAL H H 82 8.940 7.860 1.080 1
1 871 . 16 1 1 A 82 82 VAL CA C 82 60.264 60.883 -0.619 1
1 872 . 16 1 1 A 82 82 VAL HA H 82 5.039 4.633 0.406 1
1 873 . 16 1 1 A 82 82 VAL CB C 82 33.236 34.521 -1.285 1
1 883 . 16 1 1 A 82 82 VAL C C 82 174.517 174.197 0.320 1
1 884 . 16 1 1 A 83 83 THR N N 83 121.500 123.111 -1.611 1
1 885 . 16 1 1 A 83 83 THR H H 83 8.717 8.804 -0.087 1
1 886 . 16 1 1 A 83 83 THR CA C 83 61.075 62.056 -0.981 1
1 887 . 16 1 1 A 83 83 THR HA H 83 5.497 4.972 0.525 1
1 888 . 16 1 1 A 83 83 THR CB C 83 72.153 70.462 1.691 1
1 894 . 16 1 1 A 83 83 THR C C 83 173.515 173.543 -0.028 1
1 895 . 16 1 1 A 84 84 TYR N N 84 122.841 121.589 1.252 1
1 896 . 16 1 1 A 84 84 TYR H H 84 9.014 8.750 0.264 1
1 897 . 16 1 1 A 84 84 TYR CA C 84 55.985 55.720 0.265 1
1 898 . 16 1 1 A 84 84 TYR HA H 84 4.979 5.328 -0.349 1
1 899 . 16 1 1 A 84 84 TYR CB C 84 41.967 41.707 0.260 1
1 909 . 16 1 1 A 84 84 TYR C C 84 171.873 172.870 -0.997 1
1 911 . 16 1 1 A 85 85 ILE N N 85 118.254 122.142 -3.888 1
1 912 . 16 1 1 A 85 85 ILE H H 85 8.805 8.945 -0.140 1
1 913 . 16 1 1 A 85 85 ILE CA C 85 57.883 57.909 -0.026 1
1 914 . 16 1 1 A 85 85 ILE HA H 85 4.550 4.417 0.133 1
1 915 . 16 1 1 A 85 85 ILE CB C 85 40.179 39.366 0.813 1
1 927 . 16 1 1 A 85 85 ILE C C 85 174.339 174.684 -0.345 1
1 929 . 16 1 1 A 86 86 PRO CA C 86 61.414 62.602 -1.188 1
1 930 . 16 1 1 A 86 86 PRO HA H 86 4.436 4.657 -0.221 1
1 931 . 16 1 1 A 86 86 PRO CB C 86 30.107 31.871 -1.764 1
1 937 . 16 1 1 A 86 86 PRO C C 86 175.126 177.251 -2.125 1
1 941 . 16 1 1 A 87 87 ASP N N 87 123.447 124.718 -1.271 1
1 942 . 16 1 1 A 87 87 ASP H H 87 8.501 8.984 -0.483 1
1 943 . 16 1 1 A 87 87 ASP CA C 87 55.668 56.664 -0.996 1
1 944 . 16 1 1 A 87 87 ASP HA H 87 4.263 4.672 -0.409 1
1 945 . 16 1 1 A 87 87 ASP CB C 87 40.930 41.494 -0.564 1
1 947 . 16 1 1 A 87 87 ASP C C 87 175.182 176.569 -1.387 1
1 949 . 16 1 1 A 88 88 LYS N N 88 116.947 118.815 -1.868 1
1 950 . 16 1 1 A 88 88 LYS H H 88 7.683 7.979 -0.296 1
1 951 . 16 1 1 A 88 88 LYS CA C 88 54.995 56.084 -1.089 1
1 952 . 16 1 1 A 88 88 LYS HA H 88 4.588 4.476 0.112 1
1 953 . 16 1 1 A 88 88 LYS CB C 88 34.821 33.173 1.648 1
1 961 . 16 1 1 A 88 88 LYS C C 88 177.529 176.308 1.221 1
1 966 . 16 1 1 A 89 89 THR N N 89 114.134 113.220 0.914 1
1 967 . 16 1 1 A 89 89 THR H H 89 8.588 8.404 0.184 1
1 968 . 16 1 1 A 89 89 THR CA C 89 62.828 59.873 2.955 1
1 969 . 16 1 1 A 89 89 THR HA H 89 4.083 5.058 -0.975 1
1 970 . 16 1 1 A 89 89 THR CB C 89 69.590 71.304 -1.714 1
1 976 . 16 1 1 A 89 89 THR C C 89 174.269 173.507 0.762 1
1 977 . 16 1 1 A 90 90 GLY N N 90 109.440 108.241 1.199 1
1 978 . 16 1 1 A 90 90 GLY H H 90 8.444 8.170 0.274 1
1 979 . 16 1 1 A 90 90 GLY CA C 90 44.648 45.196 -0.548 1
1 980 . 16 1 1 A 90 90 GLY HA3 H 90 4.467 4.159 0.308 1
1 981 . 16 1 1 A 90 90 GLY C C 90 172.469 171.993 0.476 1
1 982 . 16 1 1 A 90 90 GLY HA2 H 90 3.908 4.097 -0.189 1
1 983 . 16 1 1 A 91 91 ARG N N 91 120.781 123.105 -2.324 1
1 984 . 16 1 1 A 91 91 ARG H H 91 8.271 8.110 0.161 1
1 985 . 16 1 1 A 91 91 ARG CA C 91 56.178 54.557 1.621 1
1 986 . 16 1 1 A 91 91 ARG HA H 91 4.951 4.894 0.057 1
1 987 . 16 1 1 A 91 91 ARG CB C 91 31.986 32.642 -0.656 1
1 993 . 16 1 1 A 91 91 ARG C C 91 175.711 174.733 0.978 1
1 997 . 16 1 1 A 92 92 TYR N N 92 122.381 122.800 -0.419 1
1 998 . 16 1 1 A 92 92 TYR H H 92 9.312 9.389 -0.077 1
1 999 . 16 1 1 A 92 92 TYR CA C 92 56.886 56.436 0.450 1
1 1000 . 16 1 1 A 92 92 TYR HA H 92 4.960 5.131 -0.171 1
1 1001 . 16 1 1 A 92 92 TYR CB C 92 41.223 41.283 -0.060 1
1 1011 . 16 1 1 A 92 92 TYR C C 92 174.902 174.325 0.577 1
1 1013 . 16 1 1 A 93 93 MET N N 93 121.210 124.617 -3.407 1
1 1014 . 16 1 1 A 93 93 MET H H 93 8.819 8.756 0.063 1
1 1015 . 16 1 1 A 93 93 MET CA C 93 53.745 54.036 -0.291 1
1 1016 . 16 1 1 A 93 93 MET HA H 93 5.346 5.275 0.071 1
1 1017 . 16 1 1 A 93 93 MET CB C 93 34.220 35.474 -1.254 1
1 1025 . 16 1 1 A 93 93 MET C C 93 175.365 174.671 0.694 1
1 1028 . 16 1 1 A 94 94 ILE N N 94 125.747 126.618 -0.871 1
1 1029 . 16 1 1 A 94 94 ILE H H 94 9.372 8.697 0.675 1
1 1030 . 16 1 1 A 94 94 ILE CA C 94 60.685 59.543 1.142 1
1 1031 . 16 1 1 A 94 94 ILE HA H 94 4.606 5.402 -0.796 1
1 1032 . 16 1 1 A 94 94 ILE CB C 94 39.188 40.966 -1.778 1
1 1044 . 16 1 1 A 94 94 ILE C C 94 174.987 175.719 -0.732 1
1 1046 . 16 1 1 A 95 95 GLY N N 95 116.553 113.966 2.587 1
1 1047 . 16 1 1 A 95 95 GLY H H 95 9.509 8.725 0.784 1
1 1048 . 16 1 1 A 95 95 GLY CA C 95 44.507 45.037 -0.530 1
1 1049 . 16 1 1 A 95 95 GLY HA3 H 95 3.605 4.308 -0.703 1
1 1050 . 16 1 1 A 95 95 GLY C C 95 173.175 172.070 1.105 1
1 1051 . 16 1 1 A 95 95 GLY HA2 H 95 4.606 4.255 0.351 1
1 1052 . 16 1 1 A 96 96 VAL N N 96 127.036 127.679 -0.643 1
1 1053 . 16 1 1 A 96 96 VAL H H 96 9.299 9.022 0.277 1
1 1054 . 16 1 1 A 96 96 VAL CA C 96 61.308 63.153 -1.845 1
1 1055 . 16 1 1 A 96 96 VAL HA H 96 4.889 4.438 0.451 1
1 1056 . 16 1 1 A 96 96 VAL CB C 96 34.145 31.627 2.518 1
1 1066 . 16 1 1 A 96 96 VAL C C 96 174.354 175.564 -1.210 1
1 1067 . 16 1 1 A 97 97 THR N N 97 115.219 119.068 -3.849 1
1 1068 . 16 1 1 A 97 97 THR H H 97 9.018 8.524 0.494 1
1 1069 . 16 1 1 A 97 97 THR CA C 97 57.826 60.176 -2.350 1
1 1070 . 16 1 1 A 97 97 THR HA H 97 5.265 5.413 -0.148 1
1 1071 . 16 1 1 A 97 97 THR CB C 97 72.753 70.593 2.160 1
1 1077 . 16 1 1 A 97 97 THR C C 97 173.175 173.040 0.135 1
1 1078 . 16 1 1 A 98 98 TYR N N 98 122.768 125.834 -3.066 1
1 1079 . 16 1 1 A 98 98 TYR H H 98 9.149 9.278 -0.129 1
1 1080 . 16 1 1 A 98 98 TYR CA C 98 57.488 57.151 0.337 1
1 1081 . 16 1 1 A 98 98 TYR HA H 98 5.077 4.910 0.167 1
1 1082 . 16 1 1 A 98 98 TYR CB C 98 43.122 41.395 1.727 1
1 1092 . 16 1 1 A 98 98 TYR C C 98 175.949 175.522 0.427 1
1 1094 . 16 1 1 A 99 99 GLY N N 99 113.994 115.187 -1.193 1
1 1095 . 16 1 1 A 99 99 GLY H H 99 8.402 8.955 -0.553 1
1 1096 . 16 1 1 A 99 99 GLY CA C 99 45.010 46.357 -1.347 1
1 1097 . 16 1 1 A 99 99 GLY HA3 H 99 2.623 3.296 -0.673 1
1 1098 . 16 1 1 A 99 99 GLY C C 99 174.197 174.990 -0.793 1
1 1099 . 16 1 1 A 99 99 GLY HA2 H 99 3.220 2.839 0.381 1
1 1100 . 16 1 1 A 100 100 GLY N N 100 103.115 105.850 -2.735 1
1 1101 . 16 1 1 A 100 100 GLY H H 100 8.288 8.571 -0.283 1
1 1102 . 16 1 1 A 100 100 GLY CA C 100 44.170 46.633 -2.463 1
1 1103 . 16 1 1 A 100 100 GLY HA3 H 100 4.265 3.866 0.399 1
1 1104 . 16 1 1 A 100 100 GLY C C 100 173.054 173.399 -0.345 1
1 1105 . 16 1 1 A 100 100 GLY HA2 H 100 3.284 3.865 -0.581 1
1 1106 . 16 1 1 A 101 101 ASP N N 101 120.566 119.556 1.010 1
1 1107 . 16 1 1 A 101 101 ASP H H 101 7.245 7.937 -0.692 1
1 1108 . 16 1 1 A 101 101 ASP CA C 101 52.908 53.193 -0.285 1
1 1109 . 16 1 1 A 101 101 ASP HA H 101 5.012 5.113 -0.101 1
1 1110 . 16 1 1 A 101 101 ASP CB C 101 42.831 44.316 -1.485 1
1 1112 . 16 1 1 A 101 101 ASP C C 101 175.182 175.251 -0.069 1
1 1114 . 16 1 1 A 102 102 ASP N N 102 122.668 125.250 -2.582 1
1 1115 . 16 1 1 A 102 102 ASP H H 102 8.597 8.948 -0.351 1
1 1116 . 16 1 1 A 102 102 ASP CA C 102 56.233 54.054 2.179 1
1 1117 . 16 1 1 A 102 102 ASP HA H 102 4.667 4.819 -0.152 1
1 1118 . 16 1 1 A 102 102 ASP CB C 102 42.373 41.356 1.017 1
1 1120 . 16 1 1 A 102 102 ASP C C 102 176.970 176.209 0.761 1
1 1122 . 16 1 1 A 103 103 ILE N N 103 117.672 117.872 -0.200 1
1 1123 . 16 1 1 A 103 103 ILE H H 103 7.887 8.450 -0.563 1
1 1124 . 16 1 1 A 103 103 ILE CA C 103 61.025 59.579 1.446 1
1 1125 . 16 1 1 A 103 103 ILE HA H 103 4.526 4.595 -0.069 1
1 1126 . 16 1 1 A 103 103 ILE CB C 103 35.534 37.590 -2.056 1
1 1138 . 16 1 1 A 103 103 ILE C C 103 173.902 176.465 -2.563 1
1 1140 . 16 1 1 A 104 104 PRO CA C 104 66.456 64.397 2.059 1
1 1141 . 16 1 1 A 104 104 PRO HA H 104 4.177 4.507 -0.330 1
1 1142 . 16 1 1 A 104 104 PRO CB C 104 31.709 31.614 0.095 1
1 1151 . 16 1 1 A 105 105 LEU N N 105 115.386 117.466 -2.080 1
1 1152 . 16 1 1 A 105 105 LEU H H 105 8.464 7.892 0.572 1
1 1153 . 16 1 1 A 105 105 LEU CA C 105 55.294 56.447 -1.153 1
1 1154 . 16 1 1 A 105 105 LEU HA H 105 3.845 4.129 -0.284 1
1 1155 . 16 1 1 A 105 105 LEU CB C 105 39.148 42.694 -3.546 1
1 1168 . 16 1 1 A 106 106 SER N N 106 111.669 113.321 -1.652 1
1 1169 . 16 1 1 A 106 106 SER H H 106 7.338 7.415 -0.077 1
1 1170 . 16 1 1 A 106 106 SER CA C 106 54.750 56.709 -1.959 1
1 1171 . 16 1 1 A 106 106 SER HA H 106 4.347 4.265 0.082 1
1 1172 . 16 1 1 A 106 106 SER CB C 106 64.133 63.386 0.747 1
1 1175 . 16 1 1 A 107 107 PRO CA C 107 62.344 62.326 0.018 1
1 1176 . 16 1 1 A 107 107 PRO HA H 107 5.323 4.918 0.405 1
1 1177 . 16 1 1 A 107 107 PRO CB C 107 33.977 32.825 1.152 1
1 1183 . 16 1 1 A 107 107 PRO C C 107 176.003 174.698 1.305 1
1 1187 . 16 1 1 A 108 108 TYR N N 108 122.832 119.337 3.495 1
1 1188 . 16 1 1 A 108 108 TYR H H 108 9.294 8.659 0.635 1
1 1189 . 16 1 1 A 108 108 TYR CA C 108 57.629 56.823 0.806 1
1 1190 . 16 1 1 A 108 108 TYR HA H 108 4.428 4.925 -0.497 1
1 1191 . 16 1 1 A 108 108 TYR CB C 108 40.091 41.208 -1.117 1
1 1201 . 16 1 1 A 108 108 TYR C C 108 175.851 175.171 0.680 1
1 1203 . 16 1 1 A 109 109 ARG N N 109 122.941 123.062 -0.121 1
1 1204 . 16 1 1 A 109 109 ARG H H 109 8.746 8.603 0.143 1
1 1205 . 16 1 1 A 109 109 ARG CA C 109 55.259 55.781 -0.522 1
1 1206 . 16 1 1 A 109 109 ARG HA H 109 5.189 4.627 0.562 1
1 1207 . 16 1 1 A 109 109 ARG CB C 109 30.879 30.816 0.063 1
1 1213 . 16 1 1 A 109 109 ARG C C 109 175.522 175.844 -0.322 1
1 1217 . 16 1 1 A 110 110 ILE N N 110 125.109 123.953 1.156 1
1 1218 . 16 1 1 A 110 110 ILE H H 110 8.742 8.307 0.435 1
1 1219 . 16 1 1 A 110 110 ILE CA C 110 57.577 59.619 -2.042 1
1 1220 . 16 1 1 A 110 110 ILE HA H 110 4.758 4.849 -0.091 1
1 1221 . 16 1 1 A 110 110 ILE CB C 110 41.138 42.462 -1.324 1
1 1233 . 16 1 1 A 110 110 ILE C C 110 175.121 174.647 0.474 1
1 1235 . 16 1 1 A 111 111 ARG N N 111 125.357 124.032 1.325 1
1 1236 . 16 1 1 A 111 111 ARG H H 111 8.776 9.001 -0.225 1
1 1237 . 16 1 1 A 111 111 ARG CA C 111 54.730 54.549 0.181 1
1 1238 . 16 1 1 A 111 111 ARG HA H 111 5.053 5.152 -0.099 1
1 1239 . 16 1 1 A 111 111 ARG CB C 111 32.685 33.626 -0.941 1
1 1245 . 16 1 1 A 111 111 ARG C C 111 174.163 174.398 -0.235 1
1 1249 . 16 1 1 A 112 112 ALA N N 112 127.119 126.637 0.482 1
1 1250 . 16 1 1 A 112 112 ALA H H 112 9.208 8.783 0.425 1
1 1251 . 16 1 1 A 112 112 ALA CA C 112 49.945 51.948 -2.003 1
1 1252 . 16 1 1 A 112 112 ALA HA H 112 5.851 5.081 0.770 1
1 1253 . 16 1 1 A 112 112 ALA CB C 112 21.329 19.673 1.656 1
1 1257 . 16 1 1 A 112 112 ALA C C 112 178.853 176.885 1.968 1
1 1258 . 16 1 1 A 113 113 THR N N 113 116.033 115.777 0.256 1
1 1259 . 16 1 1 A 113 113 THR H H 113 8.995 8.574 0.421 1
1 1260 . 16 1 1 A 113 113 THR CA C 113 60.312 60.933 -0.621 1
1 1261 . 16 1 1 A 113 113 THR HA H 113 4.695 4.831 -0.136 1
1 1262 . 16 1 1 A 113 113 THR CB C 113 71.251 68.656 2.595 1
1 1268 . 16 1 1 A 113 113 THR C C 113 173.710 173.004 0.706 1
1 1269 . 16 1 1 A 114 114 GLN N N 114 122.122 127.697 -5.575 1
1 1270 . 16 1 1 A 114 114 GLN H H 114 8.753 8.487 0.266 1
1 1271 . 16 1 1 A 114 114 GLN CA C 114 55.817 55.553 0.264 1
1 1272 . 16 1 1 A 114 114 GLN HA H 114 4.570 4.694 -0.124 1
1 1273 . 16 1 1 A 114 114 GLN CB C 114 30.106 29.593 0.513 1
1 1280 . 16 1 1 A 114 114 GLN C C 114 176.106 174.870 1.236 1
1 1283 . 16 1 1 A 115 115 THR N N 115 117.345 121.022 -3.677 1
1 1284 . 16 1 1 A 115 115 THR H H 115 8.493 8.802 -0.309 1
1 1285 . 16 1 1 A 115 115 THR CA C 115 62.328 59.879 2.449 1
1 1286 . 16 1 1 A 115 115 THR HA H 115 4.351 5.141 -0.790 1
1 1287 . 16 1 1 A 115 115 THR CB C 115 69.874 71.442 -1.568 1
1 1293 . 16 1 1 A 115 115 THR C C 115 175.158 173.233 1.925 1
1 1294 . 16 1 1 A 116 116 GLY N N 116 111.927 115.445 -3.518 1
1 1295 . 16 1 1 A 116 116 GLY H H 116 8.559 9.091 -0.532 1
1 1296 . 16 1 1 A 116 116 GLY CA C 116 45.315 45.228 0.087 1
1 1297 . 16 1 1 A 116 116 GLY HA3 H 116 3.934 4.127 -0.193 1
1 1298 . 16 1 1 A 116 116 GLY C C 116 173.820 172.437 1.383 1
1 1299 . 16 1 1 A 116 116 GLY HA2 H 116 4.030 4.127 -0.097 1
1 1300 . 16 1 1 A 117 117 ASP N N 117 120.643 126.779 -6.136 1
1 1301 . 16 1 1 A 117 117 ASP H H 117 8.208 8.946 -0.738 1
1 1302 . 16 1 1 A 117 117 ASP CA C 117 54.393 52.728 1.665 1
1 1303 . 16 1 1 A 117 117 ASP HA H 117 4.615 5.038 -0.423 1
1 1304 . 16 1 1 A 117 117 ASP CB C 117 41.388 41.769 -0.381 1
1 1306 . 16 1 1 A 117 117 ASP C C 117 175.973 174.763 1.210 1
1 1308 . 16 1 1 A 118 118 ALA N N 118 124.934 124.816 0.118 1
1 1309 . 16 1 1 A 118 118 ALA H H 118 8.312 7.574 0.738 1
1 1310 . 16 1 1 A 118 118 ALA CA C 118 52.447 52.056 0.391 1
1 1311 . 16 1 1 A 118 118 ALA HA H 118 4.415 4.316 0.099 1
1 1312 . 16 1 1 A 118 118 ALA CB C 118 19.339 18.756 0.583 1
1 1316 . 16 1 1 A 118 118 ALA C C 118 176.848 176.973 -0.125 1
1 1 . 17 1 1 A 9 9 SER HA H 9 4.733 4.841 -0.108 1
1 2 . 17 1 1 A 10 10 PRO CA C 10 63.335 63.056 0.279 1
1 3 . 17 1 1 A 10 10 PRO HA H 10 4.399 4.752 -0.353 1
1 4 . 17 1 1 A 10 10 PRO CB C 10 31.938 32.278 -0.340 1
1 10 . 17 1 1 A 10 10 PRO C C 10 176.442 177.229 -0.787 1
1 14 . 17 1 1 A 11 11 PHE N N 11 119.801 121.823 -2.022 1
1 15 . 17 1 1 A 11 11 PHE H H 11 8.036 8.754 -0.718 1
1 16 . 17 1 1 A 11 11 PHE CA C 11 57.505 57.786 -0.281 1
1 17 . 17 1 1 A 11 11 PHE HA H 11 4.606 4.781 -0.175 1
1 18 . 17 1 1 A 11 11 PHE CB C 11 39.592 39.446 0.146 1
1 30 . 17 1 1 A 11 11 PHE C C 11 175.401 176.108 -0.707 1
1 32 . 17 1 1 A 12 12 LYS N N 12 123.563 121.859 1.704 1
1 33 . 17 1 1 A 12 12 LYS H H 12 8.112 8.641 -0.529 1
1 34 . 17 1 1 A 12 12 LYS CA C 12 56.175 56.640 -0.465 1
1 35 . 17 1 1 A 12 12 LYS HA H 12 4.322 4.558 -0.236 1
1 36 . 17 1 1 A 12 12 LYS CB C 12 33.352 32.833 0.519 1
1 44 . 17 1 1 A 12 12 LYS C C 12 175.802 176.473 -0.671 1
1 49 . 17 1 1 A 13 13 VAL N N 13 122.071 124.286 -2.215 1
1 50 . 17 1 1 A 13 13 VAL H H 13 8.080 8.701 -0.621 1
1 51 . 17 1 1 A 13 13 VAL CA C 13 62.280 60.518 1.762 1
1 52 . 17 1 1 A 13 13 VAL HA H 13 4.036 4.754 -0.718 1
1 53 . 17 1 1 A 13 13 VAL CB C 13 32.895 35.908 -3.013 1
1 63 . 17 1 1 A 13 13 VAL C C 13 175.814 175.185 0.629 1
1 64 . 17 1 1 A 14 14 LYS N N 14 125.874 128.798 -2.924 1
1 65 . 17 1 1 A 14 14 LYS H H 14 8.392 8.843 -0.451 1
1 66 . 17 1 1 A 14 14 LYS CA C 14 56.250 55.630 0.620 1
1 67 . 17 1 1 A 14 14 LYS HA H 14 4.322 4.665 -0.343 1
1 68 . 17 1 1 A 14 14 LYS CB C 14 33.193 33.142 0.051 1
1 73 . 17 1 1 A 14 14 LYS C C 14 175.973 175.072 0.901 1
1 75 . 17 1 1 A 15 15 VAL N N 15 123.129 116.987 6.142 1
1 76 . 17 1 1 A 15 15 VAL H H 15 8.204 7.427 0.777 1
1 77 . 17 1 1 A 15 15 VAL CA C 15 62.033 59.108 2.925 1
1 78 . 17 1 1 A 15 15 VAL HA H 15 4.100 4.695 -0.595 1
1 79 . 17 1 1 A 15 15 VAL CB C 15 32.858 35.515 -2.657 1
1 89 . 17 1 1 A 15 15 VAL C C 15 175.717 174.969 0.748 1
1 90 . 17 1 1 A 16 16 LEU N N 16 127.971 120.737 7.234 1
1 91 . 17 1 1 A 16 16 LEU H H 16 8.378 8.298 0.080 1
1 92 . 17 1 1 A 16 16 LEU CA C 16 52.885 53.580 -0.695 1
1 93 . 17 1 1 A 16 16 LEU HA H 16 4.624 4.315 0.309 1
1 94 . 17 1 1 A 16 16 LEU CB C 16 41.706 41.974 -0.268 1
1 106 . 17 1 1 A 16 16 LEU C C 16 175.092 176.200 -1.108 1
1 108 . 17 1 1 A 17 17 PRO CA C 17 62.704 62.372 0.332 1
1 109 . 17 1 1 A 17 17 PRO HA H 17 4.556 4.634 -0.078 1
1 110 . 17 1 1 A 17 17 PRO CB C 17 32.293 32.669 -0.376 1
1 116 . 17 1 1 A 17 17 PRO C C 17 177.319 176.724 0.595 1
1 120 . 17 1 1 A 18 18 THR N N 18 112.726 113.913 -1.187 1
1 121 . 17 1 1 A 18 18 THR H H 18 8.497 8.756 -0.259 1
1 122 . 17 1 1 A 18 18 THR CA C 18 62.335 64.026 -1.691 1
1 123 . 17 1 1 A 18 18 THR HA H 18 4.352 4.307 0.045 1
1 124 . 17 1 1 A 18 18 THR CB C 18 69.700 69.143 0.557 1
1 130 . 17 1 1 A 18 18 THR C C 18 173.418 174.764 -1.346 1
1 131 . 17 1 1 A 19 19 TYR N N 19 118.883 120.038 -1.155 1
1 132 . 17 1 1 A 19 19 TYR H H 19 7.244 7.842 -0.598 1
1 133 . 17 1 1 A 19 19 TYR CA C 19 55.270 57.518 -2.248 1
1 134 . 17 1 1 A 19 19 TYR HA H 19 5.404 4.863 0.541 1
1 135 . 17 1 1 A 19 19 TYR CB C 19 40.974 40.006 0.968 1
1 145 . 17 1 1 A 19 19 TYR C C 19 174.318 174.574 -0.256 1
1 147 . 17 1 1 A 20 20 ASP N N 20 118.193 121.224 -3.031 1
1 148 . 17 1 1 A 20 20 ASP H H 20 8.686 8.893 -0.207 1
1 149 . 17 1 1 A 20 20 ASP CA C 20 53.226 53.501 -0.275 1
1 150 . 17 1 1 A 20 20 ASP HA H 20 4.539 4.842 -0.303 1
1 151 . 17 1 1 A 20 20 ASP CB C 20 41.490 42.246 -0.756 1
1 153 . 17 1 1 A 20 20 ASP C C 20 176.349 176.131 0.218 1
1 155 . 17 1 1 A 21 21 ALA N N 21 127.255 129.524 -2.269 1
1 156 . 17 1 1 A 21 21 ALA H H 21 9.404 9.089 0.315 1
1 157 . 17 1 1 A 21 21 ALA CA C 21 55.157 56.043 -0.886 1
1 158 . 17 1 1 A 21 21 ALA HA H 21 4.204 4.157 0.047 1
1 159 . 17 1 1 A 21 21 ALA CB C 21 19.890 18.499 1.391 1
1 163 . 17 1 1 A 21 21 ALA C C 21 178.113 179.482 -1.369 1
1 164 . 17 1 1 A 22 22 SER N N 22 110.959 114.029 -3.070 1
1 165 . 17 1 1 A 22 22 SER H H 22 8.397 8.140 0.257 1
1 166 . 17 1 1 A 22 22 SER CA C 22 60.794 61.481 -0.687 1
1 167 . 17 1 1 A 22 22 SER HA H 22 4.363 4.299 0.064 1
1 168 . 17 1 1 A 22 22 SER CB C 22 62.850 63.183 -0.333 1
1 170 . 17 1 1 A 22 22 SER C C 22 175.425 175.633 -0.208 1
1 172 . 17 1 1 A 23 23 LYS N N 23 119.671 116.755 2.916 1
1 173 . 17 1 1 A 23 23 LYS H H 23 7.366 7.699 -0.333 1
1 174 . 17 1 1 A 23 23 LYS CA C 23 54.818 55.984 -1.166 1
1 175 . 17 1 1 A 23 23 LYS HA H 23 4.368 4.350 0.018 1
1 176 . 17 1 1 A 23 23 LYS CB C 23 33.063 32.560 0.503 1
1 184 . 17 1 1 A 23 23 LYS C C 23 176.544 174.852 1.692 1
1 189 . 17 1 1 A 24 24 VAL N N 24 123.377 120.160 3.217 1
1 190 . 17 1 1 A 24 24 VAL H H 24 7.392 7.558 -0.166 1
1 191 . 17 1 1 A 24 24 VAL CA C 24 62.722 61.394 1.328 1
1 192 . 17 1 1 A 24 24 VAL HA H 24 4.184 4.520 -0.336 1
1 193 . 17 1 1 A 24 24 VAL CB C 24 31.780 33.801 -2.021 1
1 203 . 17 1 1 A 24 24 VAL C C 24 175.644 175.335 0.309 1
1 204 . 17 1 1 A 25 25 THR N N 25 117.441 118.734 -1.293 1
1 205 . 17 1 1 A 25 25 THR H H 25 8.384 9.023 -0.639 1
1 206 . 17 1 1 A 25 25 THR CA C 25 59.858 59.715 0.143 1
1 207 . 17 1 1 A 25 25 THR HA H 25 4.784 5.264 -0.480 1
1 208 . 17 1 1 A 25 25 THR CB C 25 71.687 71.660 0.027 1
1 214 . 17 1 1 A 25 25 THR C C 25 172.360 173.521 -1.161 1
1 215 . 17 1 1 A 26 26 ALA N N 26 123.956 125.415 -1.459 1
1 216 . 17 1 1 A 26 26 ALA H H 26 8.440 9.004 -0.564 1
1 217 . 17 1 1 A 26 26 ALA CA C 26 51.022 50.085 0.937 1
1 218 . 17 1 1 A 26 26 ALA HA H 26 5.575 5.447 0.128 1
1 219 . 17 1 1 A 26 26 ALA CB C 26 22.576 23.082 -0.506 1
1 223 . 17 1 1 A 26 26 ALA C C 26 176.301 175.591 0.710 1
1 224 . 17 1 1 A 27 27 SER N N 27 114.430 113.186 1.244 1
1 225 . 17 1 1 A 27 27 SER H H 27 9.021 8.924 0.097 1
1 226 . 17 1 1 A 27 27 SER CA C 27 57.771 56.712 1.059 1
1 227 . 17 1 1 A 27 27 SER HA H 27 4.745 5.048 -0.303 1
1 228 . 17 1 1 A 27 27 SER CB C 27 65.911 65.942 -0.031 1
1 230 . 17 1 1 A 27 27 SER C C 27 172.798 173.040 -0.242 1
1 232 . 17 1 1 A 28 28 GLY N N 28 108.618 107.799 0.819 1
1 233 . 17 1 1 A 28 28 GLY H H 28 8.516 8.498 0.018 1
1 234 . 17 1 1 A 28 28 GLY CA C 28 44.966 44.349 0.617 1
1 235 . 17 1 1 A 28 28 GLY HA3 H 28 4.102 4.311 -0.209 1
1 236 . 17 1 1 A 28 28 GLY C C 28 173.392 174.089 -0.697 1
1 237 . 17 1 1 A 28 28 GLY HA2 H 28 5.026 4.257 0.769 1
1 238 . 17 1 1 A 29 29 PRO CA C 29 65.446 65.025 0.421 1
1 239 . 17 1 1 A 29 29 PRO HA H 29 4.399 4.411 -0.012 1
1 240 . 17 1 1 A 29 29 PRO CB C 29 31.739 32.092 -0.353 1
1 246 . 17 1 1 A 29 29 PRO C C 29 179.804 178.570 1.234 1
1 250 . 17 1 1 A 30 30 GLY N N 30 103.199 105.940 -2.741 1
1 251 . 17 1 1 A 30 30 GLY H H 30 9.156 8.624 0.532 1
1 252 . 17 1 1 A 30 30 GLY CA C 30 46.458 47.050 -0.592 1
1 253 . 17 1 1 A 30 30 GLY HA3 H 30 3.331 4.138 -0.807 1
1 254 . 17 1 1 A 30 30 GLY C C 30 171.694 176.013 -4.319 1
1 255 . 17 1 1 A 30 30 GLY HA2 H 30 4.062 3.991 0.071 1
1 256 . 17 1 1 A 31 31 LEU N N 31 116.112 121.117 -5.005 1
1 257 . 17 1 1 A 31 31 LEU H H 31 7.351 7.759 -0.408 1
1 258 . 17 1 1 A 31 31 LEU CA C 31 52.607 55.822 -3.215 1
1 259 . 17 1 1 A 31 31 LEU HA H 31 4.269 4.278 -0.009 1
1 260 . 17 1 1 A 31 31 LEU CB C 31 41.265 42.058 -0.793 1
1 272 . 17 1 1 A 31 31 LEU C C 31 176.751 176.631 0.120 1
1 274 . 17 1 1 A 32 32 SER N N 32 114.056 116.119 -2.063 1
1 275 . 17 1 1 A 32 32 SER H H 32 6.986 7.544 -0.558 1
1 276 . 17 1 1 A 32 32 SER CA C 32 58.750 59.020 -0.270 1
1 277 . 17 1 1 A 32 32 SER HA H 32 4.268 4.399 -0.131 1
1 278 . 17 1 1 A 32 32 SER CB C 32 64.571 64.037 0.534 1
1 280 . 17 1 1 A 32 32 SER C C 32 176.483 175.817 0.666 1
1 282 . 17 1 1 A 33 33 SER N N 33 123.249 123.989 -0.740 1
1 283 . 17 1 1 A 33 33 SER H H 33 8.887 9.093 -0.206 1
1 284 . 17 1 1 A 33 33 SER CA C 33 60.176 61.179 -1.003 1
1 285 . 17 1 1 A 33 33 SER HA H 33 4.409 4.344 0.065 1
1 286 . 17 1 1 A 33 33 SER CB C 33 63.098 63.041 0.057 1
1 288 . 17 1 1 A 33 33 SER C C 33 174.922 176.075 -1.153 1
1 290 . 17 1 1 A 34 34 TYR N N 34 120.641 119.706 0.935 1
1 291 . 17 1 1 A 34 34 TYR H H 34 8.225 8.196 0.029 1
1 292 . 17 1 1 A 34 34 TYR CA C 34 58.266 60.235 -1.969 1
1 293 . 17 1 1 A 34 34 TYR HA H 34 4.622 4.344 0.278 1
1 294 . 17 1 1 A 34 34 TYR CB C 34 38.478 38.676 -0.198 1
1 304 . 17 1 1 A 34 34 TYR C C 34 175.881 176.129 -0.248 1
1 306 . 17 1 1 A 35 35 GLY N N 35 109.142 105.549 3.593 1
1 307 . 17 1 1 A 35 35 GLY H H 35 7.416 7.530 -0.114 1
1 308 . 17 1 1 A 35 35 GLY CA C 35 44.524 44.782 -0.258 1
1 309 . 17 1 1 A 35 35 GLY HA3 H 35 4.411 4.117 0.294 1
1 310 . 17 1 1 A 35 35 GLY C C 35 172.956 172.189 0.767 1
1 311 . 17 1 1 A 35 35 GLY HA2 H 35 4.324 4.117 0.207 1
1 312 . 17 1 1 A 36 36 VAL N N 36 116.841 116.858 -0.017 1
1 313 . 17 1 1 A 36 36 VAL H H 36 8.617 8.369 0.248 1
1 314 . 17 1 1 A 36 36 VAL CA C 36 57.700 58.089 -0.389 1
1 315 . 17 1 1 A 36 36 VAL HA H 36 4.880 4.988 -0.108 1
1 316 . 17 1 1 A 36 36 VAL CB C 36 33.474 33.689 -0.215 1
1 326 . 17 1 1 A 36 36 VAL C C 36 173.489 173.550 -0.061 1
1 327 . 17 1 1 A 37 37 PRO CA C 37 62.200 62.279 -0.079 1
1 328 . 17 1 1 A 37 37 PRO HA H 37 4.646 4.749 -0.103 1
1 329 . 17 1 1 A 37 37 PRO CB C 37 31.876 31.688 0.188 1
1 335 . 17 1 1 A 37 37 PRO C C 37 177.148 177.083 0.065 1
1 339 . 17 1 1 A 38 38 ALA N N 38 124.330 124.996 -0.666 1
1 340 . 17 1 1 A 38 38 ALA H H 38 8.591 8.348 0.243 1
1 341 . 17 1 1 A 38 38 ALA CA C 38 52.606 52.355 0.251 1
1 342 . 17 1 1 A 38 38 ALA HA H 38 4.189 4.285 -0.096 1
1 343 . 17 1 1 A 38 38 ALA CB C 38 18.928 20.044 -1.116 1
1 347 . 17 1 1 A 38 38 ALA C C 38 178.418 177.754 0.664 1
1 348 . 17 1 1 A 39 39 SER N N 39 109.435 111.305 -1.870 1
1 349 . 17 1 1 A 39 39 SER H H 39 8.687 8.221 0.466 1
1 350 . 17 1 1 A 39 39 SER CA C 39 61.147 58.948 2.199 1
1 351 . 17 1 1 A 39 39 SER HA H 39 3.770 3.994 -0.224 1
1 352 . 17 1 1 A 39 39 SER CB C 39 62.322 61.782 0.540 1
1 354 . 17 1 1 A 39 39 SER C C 39 172.372 172.809 -0.437 1
1 356 . 17 1 1 A 40 40 LEU N N 40 121.668 119.952 1.716 1
1 357 . 17 1 1 A 40 40 LEU H H 40 6.981 7.747 -0.766 1
1 358 . 17 1 1 A 40 40 LEU CA C 40 51.707 50.968 0.739 1
1 359 . 17 1 1 A 40 40 LEU HA H 40 4.890 4.659 0.231 1
1 360 . 17 1 1 A 40 40 LEU CB C 40 43.441 45.578 -2.137 1
1 372 . 17 1 1 A 40 40 LEU C C 40 173.635 174.151 -0.516 1
1 374 . 17 1 1 A 41 41 PRO CA C 41 62.683 62.313 0.370 1
1 375 . 17 1 1 A 41 41 PRO HA H 41 4.490 4.639 -0.149 1
1 376 . 17 1 1 A 41 41 PRO CB C 41 31.415 31.194 0.221 1
1 382 . 17 1 1 A 41 41 PRO C C 41 175.540 175.451 0.089 1
1 386 . 17 1 1 A 42 42 VAL N N 42 124.505 122.512 1.993 1
1 387 . 17 1 1 A 42 42 VAL H H 42 8.917 7.817 1.100 1
1 388 . 17 1 1 A 42 42 VAL CA C 42 60.282 59.730 0.552 1
1 389 . 17 1 1 A 42 42 VAL HA H 42 4.408 4.502 -0.094 1
1 390 . 17 1 1 A 42 42 VAL CB C 42 34.522 34.068 0.454 1
1 400 . 17 1 1 A 42 42 VAL C C 42 171.180 174.181 -3.001 1
1 401 . 17 1 1 A 43 43 ASP N N 43 121.538 126.931 -5.393 1
1 402 . 17 1 1 A 43 43 ASP H H 43 7.549 9.117 -1.568 1
1 403 . 17 1 1 A 43 43 ASP CA C 43 51.968 52.351 -0.383 1
1 404 . 17 1 1 A 43 43 ASP HA H 43 6.324 5.757 0.567 1
1 405 . 17 1 1 A 43 43 ASP CB C 43 44.949 44.143 0.806 1
1 407 . 17 1 1 A 43 43 ASP C C 43 177.711 174.885 2.826 1
1 409 . 17 1 1 A 44 44 PHE N N 44 112.517 117.966 -5.449 1
1 410 . 17 1 1 A 44 44 PHE H H 44 9.044 7.841 1.203 1
1 411 . 17 1 1 A 44 44 PHE CA C 44 57.658 54.865 2.793 1
1 412 . 17 1 1 A 44 44 PHE HA H 44 5.069 5.410 -0.341 1
1 413 . 17 1 1 A 44 44 PHE CB C 44 41.220 42.072 -0.852 1
1 425 . 17 1 1 A 44 44 PHE C C 44 171.679 173.810 -2.131 1
1 427 . 17 1 1 A 45 45 ALA N N 45 123.935 121.283 2.652 1
1 428 . 17 1 1 A 45 45 ALA H H 45 9.468 9.510 -0.042 1
1 429 . 17 1 1 A 45 45 ALA CA C 45 50.855 50.587 0.268 1
1 430 . 17 1 1 A 45 45 ALA HA H 45 5.379 5.313 0.066 1
1 431 . 17 1 1 A 45 45 ALA CB C 45 22.496 22.038 0.458 1
1 435 . 17 1 1 A 45 45 ALA C C 45 176.715 175.605 1.110 1
1 436 . 17 1 1 A 46 46 ILE N N 46 119.530 123.700 -4.170 1
1 437 . 17 1 1 A 46 46 ILE H H 46 8.686 9.580 -0.894 1
1 438 . 17 1 1 A 46 46 ILE CA C 46 59.561 60.668 -1.107 1
1 439 . 17 1 1 A 46 46 ILE HA H 46 4.863 4.767 0.096 1
1 440 . 17 1 1 A 46 46 ILE CB C 46 41.370 39.009 2.361 1
1 452 . 17 1 1 A 46 46 ILE C C 46 174.379 174.688 -0.309 1
1 454 . 17 1 1 A 47 47 ASP N N 47 127.143 127.732 -0.589 1
1 455 . 17 1 1 A 47 47 ASP H H 47 9.281 8.862 0.419 1
1 456 . 17 1 1 A 47 47 ASP CA C 47 53.297 53.186 0.111 1
1 457 . 17 1 1 A 47 47 ASP HA H 47 4.976 5.258 -0.282 1
1 458 . 17 1 1 A 47 47 ASP CB C 47 41.371 42.565 -1.194 1
1 460 . 17 1 1 A 47 47 ASP C C 47 174.962 175.021 -0.059 1
1 462 . 17 1 1 A 48 48 ALA N N 48 129.371 128.728 0.643 1
1 463 . 17 1 1 A 48 48 ALA H H 48 9.078 8.694 0.384 1
1 464 . 17 1 1 A 48 48 ALA CA C 48 50.554 50.745 -0.191 1
1 465 . 17 1 1 A 48 48 ALA HA H 48 4.641 4.912 -0.271 1
1 466 . 17 1 1 A 48 48 ALA CB C 48 19.699 20.603 -0.904 1
1 470 . 17 1 1 A 48 48 ALA C C 48 179.317 176.699 2.618 1
1 471 . 17 1 1 A 49 49 ARG N N 49 122.060 124.642 -2.582 1
1 472 . 17 1 1 A 49 49 ARG H H 49 8.590 8.962 -0.372 1
1 473 . 17 1 1 A 49 49 ARG CA C 49 60.964 57.625 3.339 1
1 474 . 17 1 1 A 49 49 ARG HA H 49 3.987 4.490 -0.503 1
1 475 . 17 1 1 A 49 49 ARG CB C 49 30.654 31.279 -0.625 1
1 483 . 17 1 1 A 49 49 ARG C C 49 178.077 176.391 1.686 1
1 487 . 17 1 1 A 50 50 ASP N N 50 116.664 118.031 -1.367 1
1 488 . 17 1 1 A 50 50 ASP H H 50 8.794 7.936 0.858 1
1 489 . 17 1 1 A 50 50 ASP CA C 50 53.827 53.069 0.758 1
1 490 . 17 1 1 A 50 50 ASP HA H 50 5.040 4.869 0.171 1
1 491 . 17 1 1 A 50 50 ASP CB C 50 41.595 41.364 0.231 1
1 493 . 17 1 1 A 50 50 ASP C C 50 175.754 176.977 -1.223 1
1 495 . 17 1 1 A 51 51 ALA N N 51 121.173 122.750 -1.577 1
1 496 . 17 1 1 A 51 51 ALA H H 51 7.406 7.831 -0.425 1
1 497 . 17 1 1 A 51 51 ALA CA C 51 52.147 52.301 -0.154 1
1 498 . 17 1 1 A 51 51 ALA HA H 51 4.414 4.340 0.074 1
1 499 . 17 1 1 A 51 51 ALA CB C 51 23.427 19.770 3.657 1
1 503 . 17 1 1 A 51 51 ALA C C 51 176.763 178.356 -1.593 1
1 504 . 17 1 1 A 52 52 GLY N N 52 108.187 105.958 2.229 1
1 505 . 17 1 1 A 52 52 GLY H H 52 8.521 7.894 0.627 1
1 506 . 17 1 1 A 52 52 GLY CA C 52 45.210 45.885 -0.675 1
1 507 . 17 1 1 A 52 52 GLY HA3 H 52 3.859 4.164 -0.305 1
1 508 . 17 1 1 A 52 52 GLY C C 52 175.060 173.557 1.503 1
1 509 . 17 1 1 A 52 52 GLY HA2 H 52 4.492 4.108 0.384 1
1 510 . 17 1 1 A 53 53 GLU N N 53 124.810 123.063 1.747 1
1 511 . 17 1 1 A 53 53 GLU H H 53 8.643 8.771 -0.128 1
1 512 . 17 1 1 A 53 53 GLU CA C 53 56.352 55.056 1.296 1
1 513 . 17 1 1 A 53 53 GLU HA H 53 4.663 5.305 -0.642 1
1 514 . 17 1 1 A 53 53 GLU CB C 53 31.164 32.849 -1.685 1
1 518 . 17 1 1 A 53 53 GLU C C 53 173.491 175.886 -2.395 1
1 521 . 17 1 1 A 54 54 GLY N N 54 111.417 112.313 -0.896 1
1 522 . 17 1 1 A 54 54 GLY H H 54 7.465 8.158 -0.693 1
1 523 . 17 1 1 A 54 54 GLY CA C 54 43.622 44.401 -0.779 1
1 524 . 17 1 1 A 54 54 GLY HA3 H 54 2.287 3.768 -1.481 1
1 525 . 17 1 1 A 54 54 GLY C C 54 170.013 171.580 -1.567 1
1 526 . 17 1 1 A 54 54 GLY HA2 H 54 3.819 3.303 0.516 1
1 527 . 17 1 1 A 55 55 LEU N N 55 117.446 122.260 -4.814 1
1 528 . 17 1 1 A 55 55 LEU H H 55 7.461 7.824 -0.363 1
1 529 . 17 1 1 A 55 55 LEU CA C 55 54.041 55.459 -1.418 1
1 530 . 17 1 1 A 55 55 LEU HA H 55 4.293 4.086 0.207 1
1 531 . 17 1 1 A 55 55 LEU CB C 55 42.832 42.114 0.718 1
1 543 . 17 1 1 A 55 55 LEU C C 55 176.872 175.584 1.288 1
1 545 . 17 1 1 A 56 56 LEU N N 56 131.840 128.812 3.028 1
1 546 . 17 1 1 A 56 56 LEU H H 56 8.791 8.539 0.252 1
1 547 . 17 1 1 A 56 56 LEU CA C 56 53.807 53.571 0.236 1
1 548 . 17 1 1 A 56 56 LEU HA H 56 5.053 4.913 0.140 1
1 549 . 17 1 1 A 56 56 LEU CB C 56 43.113 43.852 -0.739 1
1 561 . 17 1 1 A 56 56 LEU C C 56 175.389 175.039 0.350 1
1 563 . 17 1 1 A 57 57 ALA N N 57 130.035 128.679 1.356 1
1 564 . 17 1 1 A 57 57 ALA H H 57 8.880 8.496 0.384 1
1 565 . 17 1 1 A 57 57 ALA CA C 57 51.758 49.981 1.777 1
1 566 . 17 1 1 A 57 57 ALA HA H 57 4.641 5.272 -0.631 1
1 567 . 17 1 1 A 57 57 ALA CB C 57 21.820 23.702 -1.882 1
1 571 . 17 1 1 A 57 57 ALA C C 57 174.647 175.663 -1.016 1
1 572 . 17 1 1 A 58 58 VAL N N 58 120.958 120.078 0.880 1
1 573 . 17 1 1 A 58 58 VAL H H 58 8.443 8.816 -0.373 1
1 574 . 17 1 1 A 58 58 VAL CA C 58 60.495 61.685 -1.190 1
1 575 . 17 1 1 A 58 58 VAL HA H 58 4.988 4.604 0.384 1
1 576 . 17 1 1 A 58 58 VAL CB C 58 34.639 33.980 0.659 1
1 586 . 17 1 1 A 58 58 VAL C C 58 174.646 174.239 0.407 1
1 587 . 17 1 1 A 59 59 GLN N N 59 127.048 128.296 -1.248 1
1 588 . 17 1 1 A 59 59 GLN H H 59 9.196 9.173 0.023 1
1 589 . 17 1 1 A 59 59 GLN CA C 59 54.587 54.675 -0.088 1
1 590 . 17 1 1 A 59 59 GLN HA H 59 4.706 4.868 -0.162 1
1 591 . 17 1 1 A 59 59 GLN CB C 59 31.580 30.325 1.255 1
1 598 . 17 1 1 A 59 59 GLN C C 59 174.197 174.664 -0.467 1
1 601 . 17 1 1 A 60 60 ILE N N 60 127.617 128.322 -0.705 1
1 602 . 17 1 1 A 60 60 ILE H H 60 9.299 9.165 0.134 1
1 603 . 17 1 1 A 60 60 ILE CA C 60 60.506 60.204 0.302 1
1 604 . 17 1 1 A 60 60 ILE HA H 60 5.210 4.906 0.304 1
1 605 . 17 1 1 A 60 60 ILE CB C 60 39.172 38.895 0.277 1
1 617 . 17 1 1 A 60 60 ILE C C 60 175.608 175.502 0.106 1
1 619 . 17 1 1 A 61 61 THR N N 61 119.733 117.823 1.910 1
1 620 . 17 1 1 A 61 61 THR H H 61 8.924 9.056 -0.132 1
1 621 . 17 1 1 A 61 61 THR CA C 61 59.565 59.276 0.289 1
1 622 . 17 1 1 A 61 61 THR HA H 61 5.173 5.496 -0.323 1
1 623 . 17 1 1 A 61 61 THR CB C 61 72.121 71.592 0.529 1
1 629 . 17 1 1 A 61 61 THR C C 61 174.051 174.225 -0.174 1
1 630 . 17 1 1 A 62 62 ASP N N 62 122.337 120.293 2.044 1
1 631 . 17 1 1 A 62 62 ASP H H 62 8.484 8.436 0.048 1
1 632 . 17 1 1 A 62 62 ASP CA C 62 52.200 51.523 0.677 1
1 633 . 17 1 1 A 62 62 ASP HA H 62 4.425 4.773 -0.348 1
1 634 . 17 1 1 A 62 62 ASP CB C 62 42.222 42.305 -0.083 1
1 636 . 17 1 1 A 62 62 ASP C C 62 179.086 178.095 0.991 1
1 638 . 17 1 1 A 63 63 GLN N N 63 118.341 117.706 0.635 1
1 639 . 17 1 1 A 63 63 GLN H H 63 8.250 8.756 -0.506 1
1 640 . 17 1 1 A 63 63 GLN CA C 63 58.406 58.431 -0.025 1
1 641 . 17 1 1 A 63 63 GLN HA H 63 4.049 4.052 -0.003 1
1 642 . 17 1 1 A 63 63 GLN CB C 63 28.127 28.005 0.122 1
1 649 . 17 1 1 A 63 63 GLN C C 63 177.152 178.241 -1.089 1
1 652 . 17 1 1 A 64 64 GLU N N 64 119.134 119.332 -0.198 1
1 653 . 17 1 1 A 64 64 GLU H H 64 8.120 7.333 0.787 1
1 654 . 17 1 1 A 64 64 GLU CA C 64 55.790 57.243 -1.453 1
1 655 . 17 1 1 A 64 64 GLU HA H 64 4.423 4.338 0.085 1
1 656 . 17 1 1 A 64 64 GLU CB C 64 30.102 30.370 -0.268 1
1 660 . 17 1 1 A 64 64 GLU C C 64 176.374 176.643 -0.269 1
1 663 . 17 1 1 A 65 65 GLY N N 65 108.728 108.352 0.376 1
1 664 . 17 1 1 A 65 65 GLY H H 65 8.306 8.018 0.288 1
1 665 . 17 1 1 A 65 65 GLY CA C 65 45.285 45.787 -0.502 1
1 666 . 17 1 1 A 65 65 GLY HA3 H 65 3.561 3.925 -0.364 1
1 667 . 17 1 1 A 65 65 GLY C C 65 174.342 174.342 0.000 1
1 668 . 17 1 1 A 65 65 GLY HA2 H 65 4.203 3.920 0.283 1
1 669 . 17 1 1 A 66 66 LYS N N 66 123.502 120.283 3.219 1
1 670 . 17 1 1 A 66 66 LYS H H 66 8.528 8.180 0.348 1
1 671 . 17 1 1 A 66 66 LYS CA C 66 53.738 53.184 0.554 1
1 672 . 17 1 1 A 66 66 LYS HA H 66 4.613 4.721 -0.108 1
1 673 . 17 1 1 A 66 66 LYS CB C 66 31.167 32.208 -1.041 1
1 681 . 17 1 1 A 66 66 LYS C C 66 174.752 174.276 0.476 1
1 686 . 17 1 1 A 67 67 PRO CA C 67 62.433 62.702 -0.269 1
1 687 . 17 1 1 A 67 67 PRO HA H 67 5.062 4.720 0.342 1
1 688 . 17 1 1 A 67 67 PRO CB C 67 32.725 31.982 0.743 1
1 694 . 17 1 1 A 67 67 PRO C C 67 177.270 176.034 1.236 1
1 698 . 17 1 1 A 68 68 LYS N N 68 121.461 121.540 -0.079 1
1 699 . 17 1 1 A 68 68 LYS H H 68 8.419 8.179 0.240 1
1 700 . 17 1 1 A 68 68 LYS CA C 68 52.023 54.685 -2.662 1
1 701 . 17 1 1 A 68 68 LYS HA H 68 4.797 4.887 -0.090 1
1 702 . 17 1 1 A 68 68 LYS CB C 68 32.611 35.307 -2.696 1
1 710 . 17 1 1 A 68 68 LYS C C 68 175.389 175.219 0.170 1
1 715 . 17 1 1 A 69 69 ARG N N 69 124.040 123.146 0.894 1
1 716 . 17 1 1 A 69 69 ARG H H 69 8.683 8.647 0.036 1
1 717 . 17 1 1 A 69 69 ARG CA C 69 57.045 56.729 0.316 1
1 718 . 17 1 1 A 69 69 ARG HA H 69 4.221 4.586 -0.365 1
1 719 . 17 1 1 A 69 69 ARG CB C 69 30.712 30.570 0.142 1
1 725 . 17 1 1 A 69 69 ARG C C 69 174.877 175.618 -0.741 1
1 729 . 17 1 1 A 70 70 ALA N N 70 127.074 127.239 -0.165 1
1 730 . 17 1 1 A 70 70 ALA H H 70 8.421 8.647 -0.226 1
1 731 . 17 1 1 A 70 70 ALA CA C 70 50.360 50.311 0.049 1
1 732 . 17 1 1 A 70 70 ALA HA H 70 4.859 5.218 -0.359 1
1 733 . 17 1 1 A 70 70 ALA CB C 70 20.569 23.512 -2.943 1
1 737 . 17 1 1 A 70 70 ALA C C 70 176.313 175.691 0.622 1
1 738 . 17 1 1 A 71 71 ILE N N 71 124.496 119.976 4.520 1
1 739 . 17 1 1 A 71 71 ILE H H 71 8.943 8.749 0.194 1
1 740 . 17 1 1 A 71 71 ILE CA C 71 60.870 59.913 0.957 1
1 741 . 17 1 1 A 71 71 ILE HA H 71 4.195 4.685 -0.490 1
1 742 . 17 1 1 A 71 71 ILE CB C 71 38.457 40.014 -1.557 1
1 754 . 17 1 1 A 71 71 ILE C C 71 175.027 174.983 0.044 1
1 756 . 17 1 1 A 72 72 VAL N N 72 128.410 126.582 1.828 1
1 757 . 17 1 1 A 72 72 VAL H H 72 8.714 8.948 -0.234 1
1 758 . 17 1 1 A 72 72 VAL CA C 72 61.867 61.471 0.396 1
1 759 . 17 1 1 A 72 72 VAL HA H 72 4.478 4.463 0.015 1
1 760 . 17 1 1 A 72 72 VAL CB C 72 32.745 32.702 0.043 1
1 770 . 17 1 1 A 72 72 VAL C C 72 175.279 175.071 0.208 1
1 771 . 17 1 1 A 73 73 HIS N N 73 129.084 125.746 3.338 1
1 772 . 17 1 1 A 73 73 HIS H H 73 9.783 8.834 0.949 1
1 773 . 17 1 1 A 73 73 HIS CA C 73 55.366 55.925 -0.559 1
1 774 . 17 1 1 A 73 73 HIS HA H 73 4.849 4.946 -0.097 1
1 775 . 17 1 1 A 73 73 HIS CB C 73 31.465 31.006 0.459 1
1 781 . 17 1 1 A 73 73 HIS C C 73 173.491 174.761 -1.270 1
1 783 . 17 1 1 A 74 74 ASP N N 74 127.118 123.379 3.739 1
1 784 . 17 1 1 A 74 74 ASP H H 74 8.541 8.749 -0.208 1
1 785 . 17 1 1 A 74 74 ASP CA C 74 53.048 53.547 -0.499 1
1 786 . 17 1 1 A 74 74 ASP HA H 74 4.476 5.163 -0.687 1
1 787 . 17 1 1 A 74 74 ASP CB C 74 41.554 42.805 -1.251 1
1 789 . 17 1 1 A 74 74 ASP C C 74 175.936 175.876 0.060 1
1 791 . 17 1 1 A 75 75 ASN N N 75 124.002 122.504 1.498 1
1 792 . 17 1 1 A 75 75 ASN H H 75 7.827 8.810 -0.983 1
1 793 . 17 1 1 A 75 75 ASN CA C 75 54.517 53.027 1.490 1
1 794 . 17 1 1 A 75 75 ASN HA H 75 4.572 4.871 -0.299 1
1 795 . 17 1 1 A 75 75 ASN CB C 75 38.091 39.771 -1.680 1
1 800 . 17 1 1 A 75 75 ASN C C 75 175.352 174.871 0.481 1
1 802 . 17 1 1 A 76 76 LYS N N 76 114.689 115.420 -0.731 1
1 803 . 17 1 1 A 76 76 LYS H H 76 9.246 7.735 1.511 1
1 804 . 17 1 1 A 76 76 LYS CA C 76 57.428 57.182 0.246 1
1 805 . 17 1 1 A 76 76 LYS HA H 76 3.882 3.876 0.006 1
1 806 . 17 1 1 A 76 76 LYS CB C 76 28.223 29.071 -0.848 1
1 814 . 17 1 1 A 76 76 LYS C C 76 174.975 174.862 0.113 1
1 819 . 17 1 1 A 77 77 ASP N N 77 117.462 118.807 -1.345 1
1 820 . 17 1 1 A 77 77 ASP H H 77 7.831 7.882 -0.051 1
1 821 . 17 1 1 A 77 77 ASP CA C 77 52.168 53.003 -0.835 1
1 822 . 17 1 1 A 77 77 ASP HA H 77 4.706 4.814 -0.108 1
1 823 . 17 1 1 A 77 77 ASP CB C 77 41.224 41.087 0.137 1
1 825 . 17 1 1 A 77 77 ASP C C 77 176.739 176.117 0.622 1
1 827 . 17 1 1 A 78 78 GLY N N 78 109.485 108.013 1.472 1
1 828 . 17 1 1 A 78 78 GLY H H 78 8.658 8.434 0.224 1
1 829 . 17 1 1 A 78 78 GLY CA C 78 45.568 45.515 0.053 1
1 830 . 17 1 1 A 78 78 GLY HA3 H 78 3.698 3.855 -0.157 1
1 831 . 17 1 1 A 78 78 GLY C C 78 172.263 173.392 -1.129 1
1 832 . 17 1 1 A 78 78 GLY HA2 H 78 4.323 3.837 0.486 1
1 833 . 17 1 1 A 79 79 THR N N 79 109.462 110.039 -0.577 1
1 834 . 17 1 1 A 79 79 THR H H 79 8.057 7.295 0.762 1
1 835 . 17 1 1 A 79 79 THR CA C 79 59.989 59.557 0.432 1
1 836 . 17 1 1 A 79 79 THR HA H 79 5.566 5.213 0.353 1
1 837 . 17 1 1 A 79 79 THR CB C 79 72.712 72.556 0.156 1
1 843 . 17 1 1 A 79 79 THR C C 79 173.868 172.111 1.757 1
1 844 . 17 1 1 A 80 80 TYR N N 80 116.428 119.462 -3.034 1
1 845 . 17 1 1 A 80 80 TYR H H 80 9.085 8.522 0.563 1
1 846 . 17 1 1 A 80 80 TYR CA C 80 56.533 56.502 0.031 1
1 847 . 17 1 1 A 80 80 TYR HA H 80 5.372 5.061 0.311 1
1 848 . 17 1 1 A 80 80 TYR CB C 80 42.831 42.683 0.148 1
1 858 . 17 1 1 A 80 80 TYR C C 80 175.327 174.596 0.731 1
1 860 . 17 1 1 A 81 81 ALA N N 81 126.743 126.287 0.456 1
1 861 . 17 1 1 A 81 81 ALA H H 81 9.302 8.447 0.855 1
1 862 . 17 1 1 A 81 81 ALA CA C 81 51.121 49.908 1.213 1
1 863 . 17 1 1 A 81 81 ALA HA H 81 5.149 5.615 -0.466 1
1 864 . 17 1 1 A 81 81 ALA CB C 81 22.111 22.913 -0.802 1
1 868 . 17 1 1 A 81 81 ALA C C 81 175.505 175.859 -0.354 1
1 869 . 17 1 1 A 82 82 VAL N N 82 124.472 121.048 3.424 1
1 870 . 17 1 1 A 82 82 VAL H H 82 8.940 7.881 1.059 1
1 871 . 17 1 1 A 82 82 VAL CA C 82 60.264 60.949 -0.685 1
1 872 . 17 1 1 A 82 82 VAL HA H 82 5.039 4.805 0.234 1
1 873 . 17 1 1 A 82 82 VAL CB C 82 33.236 34.339 -1.103 1
1 883 . 17 1 1 A 82 82 VAL C C 82 174.517 174.606 -0.089 1
1 884 . 17 1 1 A 83 83 THR N N 83 121.500 122.439 -0.939 1
1 885 . 17 1 1 A 83 83 THR H H 83 8.717 8.504 0.213 1
1 886 . 17 1 1 A 83 83 THR CA C 83 61.075 62.438 -1.363 1
1 887 . 17 1 1 A 83 83 THR HA H 83 5.497 4.840 0.657 1
1 888 . 17 1 1 A 83 83 THR CB C 83 72.153 70.359 1.794 1
1 894 . 17 1 1 A 83 83 THR C C 83 173.515 173.543 -0.028 1
1 895 . 17 1 1 A 84 84 TYR N N 84 122.841 121.599 1.242 1
1 896 . 17 1 1 A 84 84 TYR H H 84 9.014 8.844 0.170 1
1 897 . 17 1 1 A 84 84 TYR CA C 84 55.985 55.904 0.081 1
1 898 . 17 1 1 A 84 84 TYR HA H 84 4.979 5.286 -0.307 1
1 899 . 17 1 1 A 84 84 TYR CB C 84 41.967 41.612 0.355 1
1 909 . 17 1 1 A 84 84 TYR C C 84 171.873 172.652 -0.779 1
1 911 . 17 1 1 A 85 85 ILE N N 85 118.254 123.868 -5.614 1
1 912 . 17 1 1 A 85 85 ILE H H 85 8.805 8.845 -0.040 1
1 913 . 17 1 1 A 85 85 ILE CA C 85 57.883 57.853 0.030 1
1 914 . 17 1 1 A 85 85 ILE HA H 85 4.550 4.502 0.048 1
1 915 . 17 1 1 A 85 85 ILE CB C 85 40.179 38.939 1.240 1
1 927 . 17 1 1 A 85 85 ILE C C 85 174.339 175.123 -0.784 1
1 929 . 17 1 1 A 86 86 PRO CA C 86 61.414 62.131 -0.717 1
1 930 . 17 1 1 A 86 86 PRO HA H 86 4.436 4.670 -0.234 1
1 931 . 17 1 1 A 86 86 PRO CB C 86 30.107 29.383 0.724 1
1 937 . 17 1 1 A 86 86 PRO C C 86 175.126 176.642 -1.516 1
1 941 . 17 1 1 A 87 87 ASP N N 87 123.447 123.392 0.055 1
1 942 . 17 1 1 A 87 87 ASP H H 87 8.501 8.599 -0.098 1
1 943 . 17 1 1 A 87 87 ASP CA C 87 55.668 57.874 -2.206 1
1 944 . 17 1 1 A 87 87 ASP HA H 87 4.263 4.459 -0.196 1
1 945 . 17 1 1 A 87 87 ASP CB C 87 40.930 41.510 -0.580 1
1 947 . 17 1 1 A 87 87 ASP C C 87 175.182 177.065 -1.883 1
1 949 . 17 1 1 A 88 88 LYS N N 88 116.947 116.843 0.104 1
1 950 . 17 1 1 A 88 88 LYS H H 88 7.683 7.580 0.103 1
1 951 . 17 1 1 A 88 88 LYS CA C 88 54.995 55.419 -0.424 1
1 952 . 17 1 1 A 88 88 LYS HA H 88 4.588 4.709 -0.121 1
1 953 . 17 1 1 A 88 88 LYS CB C 88 34.821 34.068 0.753 1
1 961 . 17 1 1 A 88 88 LYS C C 88 177.529 176.010 1.519 1
1 966 . 17 1 1 A 89 89 THR N N 89 114.134 112.509 1.625 1
1 967 . 17 1 1 A 89 89 THR H H 89 8.588 8.636 -0.048 1
1 968 . 17 1 1 A 89 89 THR CA C 89 62.828 59.875 2.953 1
1 969 . 17 1 1 A 89 89 THR HA H 89 4.083 5.239 -1.156 1
1 970 . 17 1 1 A 89 89 THR CB C 89 69.590 71.277 -1.687 1
1 976 . 17 1 1 A 89 89 THR C C 89 174.269 173.292 0.977 1
1 977 . 17 1 1 A 90 90 GLY N N 90 109.440 108.643 0.797 1
1 978 . 17 1 1 A 90 90 GLY H H 90 8.444 8.269 0.175 1
1 979 . 17 1 1 A 90 90 GLY CA C 90 44.648 45.672 -1.024 1
1 980 . 17 1 1 A 90 90 GLY HA3 H 90 4.467 4.183 0.284 1
1 981 . 17 1 1 A 90 90 GLY C C 90 172.469 171.970 0.499 1
1 982 . 17 1 1 A 90 90 GLY HA2 H 90 3.908 4.120 -0.212 1
1 983 . 17 1 1 A 91 91 ARG N N 91 120.781 121.729 -0.948 1
1 984 . 17 1 1 A 91 91 ARG H H 91 8.271 8.327 -0.056 1
1 985 . 17 1 1 A 91 91 ARG CA C 91 56.178 54.519 1.659 1
1 986 . 17 1 1 A 91 91 ARG HA H 91 4.951 5.087 -0.136 1
1 987 . 17 1 1 A 91 91 ARG CB C 91 31.986 32.420 -0.434 1
1 993 . 17 1 1 A 91 91 ARG C C 91 175.711 174.236 1.475 1
1 997 . 17 1 1 A 92 92 TYR N N 92 122.381 122.038 0.343 1
1 998 . 17 1 1 A 92 92 TYR H H 92 9.312 9.430 -0.118 1
1 999 . 17 1 1 A 92 92 TYR CA C 92 56.886 56.490 0.396 1
1 1000 . 17 1 1 A 92 92 TYR HA H 92 4.960 5.143 -0.183 1
1 1001 . 17 1 1 A 92 92 TYR CB C 92 41.223 40.487 0.736 1
1 1011 . 17 1 1 A 92 92 TYR C C 92 174.902 174.466 0.436 1
1 1013 . 17 1 1 A 93 93 MET N N 93 121.210 124.812 -3.602 1
1 1014 . 17 1 1 A 93 93 MET H H 93 8.819 8.796 0.023 1
1 1015 . 17 1 1 A 93 93 MET CA C 93 53.745 54.145 -0.400 1
1 1016 . 17 1 1 A 93 93 MET HA H 93 5.346 5.381 -0.035 1
1 1017 . 17 1 1 A 93 93 MET CB C 93 34.220 35.779 -1.559 1
1 1025 . 17 1 1 A 93 93 MET C C 93 175.365 174.683 0.682 1
1 1028 . 17 1 1 A 94 94 ILE N N 94 125.747 126.616 -0.869 1
1 1029 . 17 1 1 A 94 94 ILE H H 94 9.372 8.884 0.488 1
1 1030 . 17 1 1 A 94 94 ILE CA C 94 60.685 59.686 0.999 1
1 1031 . 17 1 1 A 94 94 ILE HA H 94 4.606 5.054 -0.448 1
1 1032 . 17 1 1 A 94 94 ILE CB C 94 39.188 39.948 -0.760 1
1 1044 . 17 1 1 A 94 94 ILE C C 94 174.987 174.935 0.052 1
1 1046 . 17 1 1 A 95 95 GLY N N 95 116.553 115.558 0.995 1
1 1047 . 17 1 1 A 95 95 GLY H H 95 9.509 9.082 0.427 1
1 1048 . 17 1 1 A 95 95 GLY CA C 95 44.507 45.668 -1.161 1
1 1049 . 17 1 1 A 95 95 GLY HA3 H 95 3.605 4.110 -0.505 1
1 1050 . 17 1 1 A 95 95 GLY C C 95 173.175 172.933 0.242 1
1 1051 . 17 1 1 A 95 95 GLY HA2 H 95 4.606 4.094 0.512 1
1 1052 . 17 1 1 A 96 96 VAL N N 96 127.036 127.358 -0.322 1
1 1053 . 17 1 1 A 96 96 VAL H H 96 9.299 8.768 0.531 1
1 1054 . 17 1 1 A 96 96 VAL CA C 96 61.308 63.015 -1.707 1
1 1055 . 17 1 1 A 96 96 VAL HA H 96 4.889 4.441 0.448 1
1 1056 . 17 1 1 A 96 96 VAL CB C 96 34.145 31.667 2.478 1
1 1066 . 17 1 1 A 96 96 VAL C C 96 174.354 175.768 -1.414 1
1 1067 . 17 1 1 A 97 97 THR N N 97 115.219 118.671 -3.452 1
1 1068 . 17 1 1 A 97 97 THR H H 97 9.018 8.938 0.080 1
1 1069 . 17 1 1 A 97 97 THR CA C 97 57.826 59.286 -1.460 1
1 1070 . 17 1 1 A 97 97 THR HA H 97 5.265 5.492 -0.227 1
1 1071 . 17 1 1 A 97 97 THR CB C 97 72.753 71.849 0.904 1
1 1077 . 17 1 1 A 97 97 THR C C 97 173.175 173.340 -0.165 1
1 1078 . 17 1 1 A 98 98 TYR N N 98 122.768 123.093 -0.325 1
1 1079 . 17 1 1 A 98 98 TYR H H 98 9.149 9.190 -0.041 1
1 1080 . 17 1 1 A 98 98 TYR CA C 98 57.488 57.411 0.077 1
1 1081 . 17 1 1 A 98 98 TYR HA H 98 5.077 5.168 -0.091 1
1 1082 . 17 1 1 A 98 98 TYR CB C 98 43.122 41.410 1.712 1
1 1092 . 17 1 1 A 98 98 TYR C C 98 175.949 175.517 0.432 1
1 1094 . 17 1 1 A 99 99 GLY N N 99 113.994 115.257 -1.263 1
1 1095 . 17 1 1 A 99 99 GLY H H 99 8.402 8.795 -0.393 1
1 1096 . 17 1 1 A 99 99 GLY CA C 99 45.010 46.571 -1.561 1
1 1097 . 17 1 1 A 99 99 GLY HA3 H 99 2.623 3.516 -0.893 1
1 1098 . 17 1 1 A 99 99 GLY C C 99 174.197 175.442 -1.245 1
1 1099 . 17 1 1 A 99 99 GLY HA2 H 99 3.220 3.373 -0.153 1
1 1100 . 17 1 1 A 100 100 GLY N N 100 103.115 106.172 -3.057 1
1 1101 . 17 1 1 A 100 100 GLY H H 100 8.288 8.607 -0.319 1
1 1102 . 17 1 1 A 100 100 GLY CA C 100 44.170 46.201 -2.031 1
1 1103 . 17 1 1 A 100 100 GLY HA3 H 100 4.265 3.901 0.364 1
1 1104 . 17 1 1 A 100 100 GLY C C 100 173.054 173.354 -0.300 1
1 1105 . 17 1 1 A 100 100 GLY HA2 H 100 3.284 3.888 -0.604 1
1 1106 . 17 1 1 A 101 101 ASP N N 101 120.566 119.692 0.874 1
1 1107 . 17 1 1 A 101 101 ASP H H 101 7.245 7.971 -0.726 1
1 1108 . 17 1 1 A 101 101 ASP CA C 101 52.908 53.198 -0.290 1
1 1109 . 17 1 1 A 101 101 ASP HA H 101 5.012 5.126 -0.114 1
1 1110 . 17 1 1 A 101 101 ASP CB C 101 42.831 44.184 -1.353 1
1 1112 . 17 1 1 A 101 101 ASP C C 101 175.182 174.876 0.306 1
1 1114 . 17 1 1 A 102 102 ASP N N 102 122.668 124.299 -1.631 1
1 1115 . 17 1 1 A 102 102 ASP H H 102 8.597 8.786 -0.189 1
1 1116 . 17 1 1 A 102 102 ASP CA C 102 56.233 54.521 1.712 1
1 1117 . 17 1 1 A 102 102 ASP HA H 102 4.667 4.889 -0.222 1
1 1118 . 17 1 1 A 102 102 ASP CB C 102 42.373 41.448 0.925 1
1 1120 . 17 1 1 A 102 102 ASP C C 102 176.970 176.581 0.389 1
1 1122 . 17 1 1 A 103 103 ILE N N 103 117.672 120.656 -2.984 1
1 1123 . 17 1 1 A 103 103 ILE H H 103 7.887 8.222 -0.335 1
1 1124 . 17 1 1 A 103 103 ILE CA C 103 61.025 59.776 1.249 1
1 1125 . 17 1 1 A 103 103 ILE HA H 103 4.526 4.577 -0.051 1
1 1126 . 17 1 1 A 103 103 ILE CB C 103 35.534 37.597 -2.063 1
1 1138 . 17 1 1 A 103 103 ILE C C 103 173.902 176.795 -2.893 1
1 1140 . 17 1 1 A 104 104 PRO CA C 104 66.456 64.166 2.290 1
1 1141 . 17 1 1 A 104 104 PRO HA H 104 4.177 4.519 -0.342 1
1 1142 . 17 1 1 A 104 104 PRO CB C 104 31.709 31.344 0.365 1
1 1151 . 17 1 1 A 105 105 LEU N N 105 115.386 117.659 -2.273 1
1 1152 . 17 1 1 A 105 105 LEU H H 105 8.464 7.864 0.600 1
1 1153 . 17 1 1 A 105 105 LEU CA C 105 55.294 54.489 0.805 1
1 1154 . 17 1 1 A 105 105 LEU HA H 105 3.845 4.420 -0.575 1
1 1155 . 17 1 1 A 105 105 LEU CB C 105 39.148 43.545 -4.397 1
1 1168 . 17 1 1 A 106 106 SER N N 106 111.669 112.971 -1.302 1
1 1169 . 17 1 1 A 106 106 SER H H 106 7.338 7.499 -0.161 1
1 1170 . 17 1 1 A 106 106 SER CA C 106 54.750 55.169 -0.419 1
1 1171 . 17 1 1 A 106 106 SER HA H 106 4.347 4.888 -0.541 1
1 1172 . 17 1 1 A 106 106 SER CB C 106 64.133 64.399 -0.266 1
1 1175 . 17 1 1 A 107 107 PRO CA C 107 62.344 62.383 -0.039 1
1 1176 . 17 1 1 A 107 107 PRO HA H 107 5.323 5.042 0.281 1
1 1177 . 17 1 1 A 107 107 PRO CB C 107 33.977 32.875 1.102 1
1 1183 . 17 1 1 A 107 107 PRO C C 107 176.003 174.751 1.252 1
1 1187 . 17 1 1 A 108 108 TYR N N 108 122.832 119.236 3.596 1
1 1188 . 17 1 1 A 108 108 TYR H H 108 9.294 8.575 0.719 1
1 1189 . 17 1 1 A 108 108 TYR CA C 108 57.629 57.013 0.616 1
1 1190 . 17 1 1 A 108 108 TYR HA H 108 4.428 4.889 -0.461 1
1 1191 . 17 1 1 A 108 108 TYR CB C 108 40.091 41.411 -1.320 1
1 1201 . 17 1 1 A 108 108 TYR C C 108 175.851 175.482 0.369 1
1 1203 . 17 1 1 A 109 109 ARG N N 109 122.941 122.294 0.647 1
1 1204 . 17 1 1 A 109 109 ARG H H 109 8.746 8.592 0.154 1
1 1205 . 17 1 1 A 109 109 ARG CA C 109 55.259 55.663 -0.404 1
1 1206 . 17 1 1 A 109 109 ARG HA H 109 5.189 4.663 0.526 1
1 1207 . 17 1 1 A 109 109 ARG CB C 109 30.879 30.954 -0.075 1
1 1213 . 17 1 1 A 109 109 ARG C C 109 175.522 175.807 -0.285 1
1 1217 . 17 1 1 A 110 110 ILE N N 110 125.109 122.724 2.385 1
1 1218 . 17 1 1 A 110 110 ILE H H 110 8.742 8.424 0.318 1
1 1219 . 17 1 1 A 110 110 ILE CA C 110 57.577 60.149 -2.572 1
1 1220 . 17 1 1 A 110 110 ILE HA H 110 4.758 4.845 -0.087 1
1 1221 . 17 1 1 A 110 110 ILE CB C 110 41.138 42.729 -1.591 1
1 1233 . 17 1 1 A 110 110 ILE C C 110 175.121 174.530 0.591 1
1 1235 . 17 1 1 A 111 111 ARG N N 111 125.357 123.339 2.018 1
1 1236 . 17 1 1 A 111 111 ARG H H 111 8.776 8.966 -0.190 1
1 1237 . 17 1 1 A 111 111 ARG CA C 111 54.730 54.493 0.237 1
1 1238 . 17 1 1 A 111 111 ARG HA H 111 5.053 5.099 -0.046 1
1 1239 . 17 1 1 A 111 111 ARG CB C 111 32.685 33.798 -1.113 1
1 1245 . 17 1 1 A 111 111 ARG C C 111 174.163 174.593 -0.430 1
1 1249 . 17 1 1 A 112 112 ALA N N 112 127.119 124.486 2.633 1
1 1250 . 17 1 1 A 112 112 ALA H H 112 9.208 9.018 0.190 1
1 1251 . 17 1 1 A 112 112 ALA CA C 112 49.945 52.504 -2.559 1
1 1252 . 17 1 1 A 112 112 ALA HA H 112 5.851 4.547 1.304 1
1 1253 . 17 1 1 A 112 112 ALA CB C 112 21.329 19.470 1.859 1
1 1257 . 17 1 1 A 112 112 ALA C C 112 178.853 178.732 0.121 1
1 1258 . 17 1 1 A 113 113 THR N N 113 116.033 117.122 -1.089 1
1 1259 . 17 1 1 A 113 113 THR H H 113 8.995 8.855 0.140 1
1 1260 . 17 1 1 A 113 113 THR CA C 113 60.312 64.815 -4.503 1
1 1261 . 17 1 1 A 113 113 THR HA H 113 4.695 4.114 0.581 1
1 1262 . 17 1 1 A 113 113 THR CB C 113 71.251 69.881 1.370 1
1 1268 . 17 1 1 A 113 113 THR C C 113 173.710 175.179 -1.469 1
1 1269 . 17 1 1 A 114 114 GLN N N 114 122.122 121.124 0.998 1
1 1270 . 17 1 1 A 114 114 GLN H H 114 8.753 8.153 0.600 1
1 1271 . 17 1 1 A 114 114 GLN CA C 114 55.817 56.880 -1.063 1
1 1272 . 17 1 1 A 114 114 GLN HA H 114 4.570 3.972 0.598 1
1 1273 . 17 1 1 A 114 114 GLN CB C 114 30.106 27.352 2.754 1
1 1280 . 17 1 1 A 114 114 GLN C C 114 176.106 175.204 0.902 1
1 1283 . 17 1 1 A 115 115 THR N N 115 117.345 109.378 7.967 1
1 1284 . 17 1 1 A 115 115 THR H H 115 8.493 7.819 0.674 1
1 1285 . 17 1 1 A 115 115 THR CA C 115 62.328 61.042 1.286 1
1 1286 . 17 1 1 A 115 115 THR HA H 115 4.351 4.620 -0.269 1
1 1287 . 17 1 1 A 115 115 THR CB C 115 69.874 70.969 -1.095 1
1 1293 . 17 1 1 A 115 115 THR C C 115 175.158 174.205 0.953 1
1 1294 . 17 1 1 A 116 116 GLY N N 116 111.927 108.657 3.270 1
1 1295 . 17 1 1 A 116 116 GLY H H 116 8.559 8.535 0.024 1
1 1296 . 17 1 1 A 116 116 GLY CA C 116 45.315 44.919 0.396 1
1 1297 . 17 1 1 A 116 116 GLY HA3 H 116 3.934 4.178 -0.244 1
1 1298 . 17 1 1 A 116 116 GLY C C 116 173.820 172.161 1.659 1
1 1299 . 17 1 1 A 116 116 GLY HA2 H 116 4.030 4.177 -0.147 1
1 1300 . 17 1 1 A 117 117 ASP N N 117 120.643 121.317 -0.674 1
1 1301 . 17 1 1 A 117 117 ASP H H 117 8.208 8.548 -0.340 1
1 1302 . 17 1 1 A 117 117 ASP CA C 117 54.393 54.421 -0.028 1
1 1303 . 17 1 1 A 117 117 ASP HA H 117 4.615 4.760 -0.145 1
1 1304 . 17 1 1 A 117 117 ASP CB C 117 41.388 41.850 -0.462 1
1 1306 . 17 1 1 A 117 117 ASP C C 117 175.973 176.087 -0.114 1
1 1308 . 17 1 1 A 118 118 ALA N N 118 124.934 128.057 -3.123 1
1 1309 . 17 1 1 A 118 118 ALA H H 118 8.312 8.723 -0.411 1
1 1310 . 17 1 1 A 118 118 ALA CA C 118 52.447 51.698 0.749 1
1 1311 . 17 1 1 A 118 118 ALA HA H 118 4.415 4.523 -0.108 1
1 1312 . 17 1 1 A 118 118 ALA CB C 118 19.339 18.896 0.443 1
1 1316 . 17 1 1 A 118 118 ALA C C 118 176.848 178.412 -1.564 1
1 1 . 18 1 1 A 9 9 SER HA H 9 4.733 5.064 -0.331 1
1 2 . 18 1 1 A 10 10 PRO CA C 10 63.335 62.113 1.222 1
1 3 . 18 1 1 A 10 10 PRO HA H 10 4.399 4.560 -0.161 1
1 4 . 18 1 1 A 10 10 PRO CB C 10 31.938 33.167 -1.229 1
1 10 . 18 1 1 A 10 10 PRO C C 10 176.442 174.912 1.530 1
1 14 . 18 1 1 A 11 11 PHE N N 11 119.801 118.865 0.936 1
1 15 . 18 1 1 A 11 11 PHE H H 11 8.036 8.543 -0.507 1
1 16 . 18 1 1 A 11 11 PHE CA C 11 57.505 56.686 0.819 1
1 17 . 18 1 1 A 11 11 PHE HA H 11 4.606 4.854 -0.248 1
1 18 . 18 1 1 A 11 11 PHE CB C 11 39.592 43.304 -3.712 1
1 30 . 18 1 1 A 11 11 PHE C C 11 175.401 174.241 1.160 1
1 32 . 18 1 1 A 12 12 LYS N N 12 123.563 124.246 -0.683 1
1 33 . 18 1 1 A 12 12 LYS H H 12 8.112 9.019 -0.907 1
1 34 . 18 1 1 A 12 12 LYS CA C 12 56.175 55.306 0.869 1
1 35 . 18 1 1 A 12 12 LYS HA H 12 4.322 4.548 -0.226 1
1 36 . 18 1 1 A 12 12 LYS CB C 12 33.352 31.026 2.326 1
1 44 . 18 1 1 A 12 12 LYS C C 12 175.802 174.899 0.903 1
1 49 . 18 1 1 A 13 13 VAL N N 13 122.071 123.649 -1.578 1
1 50 . 18 1 1 A 13 13 VAL H H 13 8.080 7.643 0.437 1
1 51 . 18 1 1 A 13 13 VAL CA C 13 62.280 61.426 0.854 1
1 52 . 18 1 1 A 13 13 VAL HA H 13 4.036 4.622 -0.586 1
1 53 . 18 1 1 A 13 13 VAL CB C 13 32.895 34.912 -2.017 1
1 63 . 18 1 1 A 13 13 VAL C C 13 175.814 174.772 1.042 1
1 64 . 18 1 1 A 14 14 LYS N N 14 125.874 127.282 -1.408 1
1 65 . 18 1 1 A 14 14 LYS H H 14 8.392 8.842 -0.450 1
1 66 . 18 1 1 A 14 14 LYS CA C 14 56.250 55.143 1.107 1
1 67 . 18 1 1 A 14 14 LYS HA H 14 4.322 4.614 -0.292 1
1 68 . 18 1 1 A 14 14 LYS CB C 14 33.193 31.508 1.685 1
1 73 . 18 1 1 A 14 14 LYS C C 14 175.973 175.061 0.912 1
1 75 . 18 1 1 A 15 15 VAL N N 15 123.129 118.153 4.976 1
1 76 . 18 1 1 A 15 15 VAL H H 15 8.204 8.308 -0.104 1
1 77 . 18 1 1 A 15 15 VAL CA C 15 62.033 59.054 2.979 1
1 78 . 18 1 1 A 15 15 VAL HA H 15 4.100 4.922 -0.822 1
1 79 . 18 1 1 A 15 15 VAL CB C 15 32.858 35.298 -2.440 1
1 89 . 18 1 1 A 15 15 VAL C C 15 175.717 174.850 0.867 1
1 90 . 18 1 1 A 16 16 LEU N N 16 127.971 118.655 9.316 1
1 91 . 18 1 1 A 16 16 LEU H H 16 8.378 8.139 0.239 1
1 92 . 18 1 1 A 16 16 LEU CA C 16 52.885 52.898 -0.013 1
1 93 . 18 1 1 A 16 16 LEU HA H 16 4.624 4.614 0.010 1
1 94 . 18 1 1 A 16 16 LEU CB C 16 41.706 42.018 -0.312 1
1 106 . 18 1 1 A 16 16 LEU C C 16 175.092 176.082 -0.990 1
1 108 . 18 1 1 A 17 17 PRO CA C 17 62.704 62.388 0.316 1
1 109 . 18 1 1 A 17 17 PRO HA H 17 4.556 4.623 -0.067 1
1 110 . 18 1 1 A 17 17 PRO CB C 17 32.293 33.078 -0.785 1
1 116 . 18 1 1 A 17 17 PRO C C 17 177.319 176.734 0.585 1
1 120 . 18 1 1 A 18 18 THR N N 18 112.726 113.154 -0.428 1
1 121 . 18 1 1 A 18 18 THR H H 18 8.497 8.618 -0.121 1
1 122 . 18 1 1 A 18 18 THR CA C 18 62.335 62.604 -0.269 1
1 123 . 18 1 1 A 18 18 THR HA H 18 4.352 4.399 -0.047 1
1 124 . 18 1 1 A 18 18 THR CB C 18 69.700 69.186 0.514 1
1 130 . 18 1 1 A 18 18 THR C C 18 173.418 174.442 -1.024 1
1 131 . 18 1 1 A 19 19 TYR N N 19 118.883 119.713 -0.830 1
1 132 . 18 1 1 A 19 19 TYR H H 19 7.244 7.768 -0.524 1
1 133 . 18 1 1 A 19 19 TYR CA C 19 55.270 56.788 -1.518 1
1 134 . 18 1 1 A 19 19 TYR HA H 19 5.404 4.746 0.658 1
1 135 . 18 1 1 A 19 19 TYR CB C 19 40.974 40.590 0.384 1
1 145 . 18 1 1 A 19 19 TYR C C 19 174.318 174.633 -0.315 1
1 147 . 18 1 1 A 20 20 ASP N N 20 118.193 119.572 -1.379 1
1 148 . 18 1 1 A 20 20 ASP H H 20 8.686 8.657 0.029 1
1 149 . 18 1 1 A 20 20 ASP CA C 20 53.226 53.336 -0.110 1
1 150 . 18 1 1 A 20 20 ASP HA H 20 4.539 5.161 -0.622 1
1 151 . 18 1 1 A 20 20 ASP CB C 20 41.490 44.933 -3.443 1
1 153 . 18 1 1 A 20 20 ASP C C 20 176.349 176.019 0.330 1
1 155 . 18 1 1 A 21 21 ALA N N 21 127.255 125.975 1.280 1
1 156 . 18 1 1 A 21 21 ALA H H 21 9.404 9.140 0.264 1
1 157 . 18 1 1 A 21 21 ALA CA C 21 55.157 55.005 0.152 1
1 158 . 18 1 1 A 21 21 ALA HA H 21 4.204 4.124 0.080 1
1 159 . 18 1 1 A 21 21 ALA CB C 21 19.890 18.435 1.455 1
1 163 . 18 1 1 A 21 21 ALA C C 21 178.113 180.116 -2.003 1
1 164 . 18 1 1 A 22 22 SER N N 22 110.959 113.047 -2.088 1
1 165 . 18 1 1 A 22 22 SER H H 22 8.397 8.242 0.155 1
1 166 . 18 1 1 A 22 22 SER CA C 22 60.794 61.070 -0.276 1
1 167 . 18 1 1 A 22 22 SER HA H 22 4.363 4.247 0.116 1
1 168 . 18 1 1 A 22 22 SER CB C 22 62.850 62.733 0.117 1
1 170 . 18 1 1 A 22 22 SER C C 22 175.425 175.473 -0.048 1
1 172 . 18 1 1 A 23 23 LYS N N 23 119.671 119.022 0.649 1
1 173 . 18 1 1 A 23 23 LYS H H 23 7.366 7.632 -0.266 1
1 174 . 18 1 1 A 23 23 LYS CA C 23 54.818 56.551 -1.733 1
1 175 . 18 1 1 A 23 23 LYS HA H 23 4.368 4.258 0.110 1
1 176 . 18 1 1 A 23 23 LYS CB C 23 33.063 32.863 0.200 1
1 184 . 18 1 1 A 23 23 LYS C C 23 176.544 175.295 1.249 1
1 189 . 18 1 1 A 24 24 VAL N N 24 123.377 120.271 3.106 1
1 190 . 18 1 1 A 24 24 VAL H H 24 7.392 7.903 -0.511 1
1 191 . 18 1 1 A 24 24 VAL CA C 24 62.722 61.247 1.475 1
1 192 . 18 1 1 A 24 24 VAL HA H 24 4.184 4.273 -0.089 1
1 193 . 18 1 1 A 24 24 VAL CB C 24 31.780 32.835 -1.055 1
1 203 . 18 1 1 A 24 24 VAL C C 24 175.644 175.363 0.281 1
1 204 . 18 1 1 A 25 25 THR N N 25 117.441 118.426 -0.985 1
1 205 . 18 1 1 A 25 25 THR H H 25 8.384 9.007 -0.623 1
1 206 . 18 1 1 A 25 25 THR CA C 25 59.858 59.400 0.458 1
1 207 . 18 1 1 A 25 25 THR HA H 25 4.784 5.371 -0.587 1
1 208 . 18 1 1 A 25 25 THR CB C 25 71.687 71.833 -0.146 1
1 214 . 18 1 1 A 25 25 THR C C 25 172.360 173.753 -1.393 1
1 215 . 18 1 1 A 26 26 ALA N N 26 123.956 123.785 0.171 1
1 216 . 18 1 1 A 26 26 ALA H H 26 8.440 8.872 -0.432 1
1 217 . 18 1 1 A 26 26 ALA CA C 26 51.022 50.799 0.223 1
1 218 . 18 1 1 A 26 26 ALA HA H 26 5.575 5.380 0.195 1
1 219 . 18 1 1 A 26 26 ALA CB C 26 22.576 22.564 0.012 1
1 223 . 18 1 1 A 26 26 ALA C C 26 176.301 175.597 0.704 1
1 224 . 18 1 1 A 27 27 SER N N 27 114.430 116.842 -2.412 1
1 225 . 18 1 1 A 27 27 SER H H 27 9.021 8.665 0.356 1
1 226 . 18 1 1 A 27 27 SER CA C 27 57.771 57.464 0.307 1
1 227 . 18 1 1 A 27 27 SER HA H 27 4.745 5.341 -0.596 1
1 228 . 18 1 1 A 27 27 SER CB C 27 65.911 67.354 -1.443 1
1 230 . 18 1 1 A 27 27 SER C C 27 172.798 173.083 -0.285 1
1 232 . 18 1 1 A 28 28 GLY N N 28 108.618 110.065 -1.447 1
1 233 . 18 1 1 A 28 28 GLY H H 28 8.516 8.438 0.078 1
1 234 . 18 1 1 A 28 28 GLY CA C 28 44.966 44.522 0.444 1
1 235 . 18 1 1 A 28 28 GLY HA3 H 28 4.102 4.277 -0.175 1
1 236 . 18 1 1 A 28 28 GLY C C 28 173.392 174.163 -0.771 1
1 237 . 18 1 1 A 28 28 GLY HA2 H 28 5.026 4.238 0.788 1
1 238 . 18 1 1 A 29 29 PRO CA C 29 65.446 65.013 0.433 1
1 239 . 18 1 1 A 29 29 PRO HA H 29 4.399 4.441 -0.042 1
1 240 . 18 1 1 A 29 29 PRO CB C 29 31.739 32.069 -0.330 1
1 246 . 18 1 1 A 29 29 PRO C C 29 179.804 178.564 1.240 1
1 250 . 18 1 1 A 30 30 GLY N N 30 103.199 105.897 -2.698 1
1 251 . 18 1 1 A 30 30 GLY H H 30 9.156 8.517 0.639 1
1 252 . 18 1 1 A 30 30 GLY CA C 30 46.458 46.960 -0.502 1
1 253 . 18 1 1 A 30 30 GLY HA3 H 30 3.331 4.304 -0.973 1
1 254 . 18 1 1 A 30 30 GLY C C 30 171.694 174.724 -3.030 1
1 255 . 18 1 1 A 30 30 GLY HA2 H 30 4.062 4.184 -0.122 1
1 256 . 18 1 1 A 31 31 LEU N N 31 116.112 119.440 -3.328 1
1 257 . 18 1 1 A 31 31 LEU H H 31 7.351 7.795 -0.444 1
1 258 . 18 1 1 A 31 31 LEU CA C 31 52.607 54.167 -1.560 1
1 259 . 18 1 1 A 31 31 LEU HA H 31 4.269 4.546 -0.277 1
1 260 . 18 1 1 A 31 31 LEU CB C 31 41.265 41.679 -0.414 1
1 272 . 18 1 1 A 31 31 LEU C C 31 176.751 176.302 0.449 1
1 274 . 18 1 1 A 32 32 SER N N 32 114.056 117.701 -3.645 1
1 275 . 18 1 1 A 32 32 SER H H 32 6.986 7.702 -0.716 1
1 276 . 18 1 1 A 32 32 SER CA C 32 58.750 58.536 0.214 1
1 277 . 18 1 1 A 32 32 SER HA H 32 4.268 4.364 -0.096 1
1 278 . 18 1 1 A 32 32 SER CB C 32 64.571 64.340 0.231 1
1 280 . 18 1 1 A 32 32 SER C C 32 176.483 175.174 1.309 1
1 282 . 18 1 1 A 33 33 SER N N 33 123.249 123.641 -0.392 1
1 283 . 18 1 1 A 33 33 SER H H 33 8.887 9.043 -0.156 1
1 284 . 18 1 1 A 33 33 SER CA C 33 60.176 61.175 -0.999 1
1 285 . 18 1 1 A 33 33 SER HA H 33 4.409 4.170 0.239 1
1 286 . 18 1 1 A 33 33 SER CB C 33 63.098 62.470 0.628 1
1 288 . 18 1 1 A 33 33 SER C C 33 174.922 176.469 -1.547 1
1 290 . 18 1 1 A 34 34 TYR N N 34 120.641 118.366 2.275 1
1 291 . 18 1 1 A 34 34 TYR H H 34 8.225 7.906 0.319 1
1 292 . 18 1 1 A 34 34 TYR CA C 34 58.266 60.132 -1.866 1
1 293 . 18 1 1 A 34 34 TYR HA H 34 4.622 4.335 0.287 1
1 294 . 18 1 1 A 34 34 TYR CB C 34 38.478 38.626 -0.148 1
1 304 . 18 1 1 A 34 34 TYR C C 34 175.881 176.132 -0.251 1
1 306 . 18 1 1 A 35 35 GLY N N 35 109.142 105.496 3.646 1
1 307 . 18 1 1 A 35 35 GLY H H 35 7.416 7.112 0.304 1
1 308 . 18 1 1 A 35 35 GLY CA C 35 44.524 44.729 -0.205 1
1 309 . 18 1 1 A 35 35 GLY HA3 H 35 4.411 4.119 0.292 1
1 310 . 18 1 1 A 35 35 GLY C C 35 172.956 172.059 0.897 1
1 311 . 18 1 1 A 35 35 GLY HA2 H 35 4.324 4.114 0.210 1
1 312 . 18 1 1 A 36 36 VAL N N 36 116.841 116.290 0.551 1
1 313 . 18 1 1 A 36 36 VAL H H 36 8.617 8.433 0.184 1
1 314 . 18 1 1 A 36 36 VAL CA C 36 57.700 58.077 -0.377 1
1 315 . 18 1 1 A 36 36 VAL HA H 36 4.880 4.953 -0.073 1
1 316 . 18 1 1 A 36 36 VAL CB C 36 33.474 34.180 -0.706 1
1 326 . 18 1 1 A 36 36 VAL C C 36 173.489 173.387 0.102 1
1 327 . 18 1 1 A 37 37 PRO CA C 37 62.200 62.362 -0.162 1
1 328 . 18 1 1 A 37 37 PRO HA H 37 4.646 5.011 -0.365 1
1 329 . 18 1 1 A 37 37 PRO CB C 37 31.876 31.826 0.050 1
1 335 . 18 1 1 A 37 37 PRO C C 37 177.148 177.052 0.096 1
1 339 . 18 1 1 A 38 38 ALA N N 38 124.330 124.772 -0.442 1
1 340 . 18 1 1 A 38 38 ALA H H 38 8.591 8.481 0.110 1
1 341 . 18 1 1 A 38 38 ALA CA C 38 52.606 52.349 0.257 1
1 342 . 18 1 1 A 38 38 ALA HA H 38 4.189 4.227 -0.038 1
1 343 . 18 1 1 A 38 38 ALA CB C 38 18.928 19.989 -1.061 1
1 347 . 18 1 1 A 38 38 ALA C C 38 178.418 177.873 0.545 1
1 348 . 18 1 1 A 39 39 SER N N 39 109.435 111.476 -2.041 1
1 349 . 18 1 1 A 39 39 SER H H 39 8.687 8.399 0.288 1
1 350 . 18 1 1 A 39 39 SER CA C 39 61.147 59.355 1.792 1
1 351 . 18 1 1 A 39 39 SER HA H 39 3.770 4.003 -0.233 1
1 352 . 18 1 1 A 39 39 SER CB C 39 62.322 61.967 0.355 1
1 354 . 18 1 1 A 39 39 SER C C 39 172.372 172.454 -0.082 1
1 356 . 18 1 1 A 40 40 LEU N N 40 121.668 120.484 1.184 1
1 357 . 18 1 1 A 40 40 LEU H H 40 6.981 7.625 -0.644 1
1 358 . 18 1 1 A 40 40 LEU CA C 40 51.707 50.934 0.773 1
1 359 . 18 1 1 A 40 40 LEU HA H 40 4.890 4.833 0.057 1
1 360 . 18 1 1 A 40 40 LEU CB C 40 43.441 45.264 -1.823 1
1 372 . 18 1 1 A 40 40 LEU C C 40 173.635 174.129 -0.494 1
1 374 . 18 1 1 A 41 41 PRO CA C 41 62.683 62.268 0.415 1
1 375 . 18 1 1 A 41 41 PRO HA H 41 4.490 4.617 -0.127 1
1 376 . 18 1 1 A 41 41 PRO CB C 41 31.415 30.954 0.461 1
1 382 . 18 1 1 A 41 41 PRO C C 41 175.540 175.188 0.352 1
1 386 . 18 1 1 A 42 42 VAL N N 42 124.505 122.656 1.849 1
1 387 . 18 1 1 A 42 42 VAL H H 42 8.917 7.671 1.246 1
1 388 . 18 1 1 A 42 42 VAL CA C 42 60.282 59.490 0.792 1
1 389 . 18 1 1 A 42 42 VAL HA H 42 4.408 4.678 -0.270 1
1 390 . 18 1 1 A 42 42 VAL CB C 42 34.522 34.486 0.036 1
1 400 . 18 1 1 A 42 42 VAL C C 42 171.180 174.007 -2.827 1
1 401 . 18 1 1 A 43 43 ASP N N 43 121.538 126.911 -5.373 1
1 402 . 18 1 1 A 43 43 ASP H H 43 7.549 9.119 -1.570 1
1 403 . 18 1 1 A 43 43 ASP CA C 43 51.968 52.404 -0.436 1
1 404 . 18 1 1 A 43 43 ASP HA H 43 6.324 5.791 0.533 1
1 405 . 18 1 1 A 43 43 ASP CB C 43 44.949 44.920 0.029 1
1 407 . 18 1 1 A 43 43 ASP C C 43 177.711 174.893 2.818 1
1 409 . 18 1 1 A 44 44 PHE N N 44 112.517 117.305 -4.788 1
1 410 . 18 1 1 A 44 44 PHE H H 44 9.044 7.958 1.086 1
1 411 . 18 1 1 A 44 44 PHE CA C 44 57.658 54.867 2.791 1
1 412 . 18 1 1 A 44 44 PHE HA H 44 5.069 5.536 -0.467 1
1 413 . 18 1 1 A 44 44 PHE CB C 44 41.220 42.228 -1.008 1
1 425 . 18 1 1 A 44 44 PHE C C 44 171.679 173.673 -1.994 1
1 427 . 18 1 1 A 45 45 ALA N N 45 123.935 121.670 2.265 1
1 428 . 18 1 1 A 45 45 ALA H H 45 9.468 9.135 0.333 1
1 429 . 18 1 1 A 45 45 ALA CA C 45 50.855 49.977 0.878 1
1 430 . 18 1 1 A 45 45 ALA HA H 45 5.379 5.366 0.013 1
1 431 . 18 1 1 A 45 45 ALA CB C 45 22.496 22.246 0.250 1
1 435 . 18 1 1 A 45 45 ALA C C 45 176.715 175.962 0.753 1
1 436 . 18 1 1 A 46 46 ILE N N 46 119.530 123.055 -3.525 1
1 437 . 18 1 1 A 46 46 ILE H H 46 8.686 9.582 -0.896 1
1 438 . 18 1 1 A 46 46 ILE CA C 46 59.561 60.684 -1.123 1
1 439 . 18 1 1 A 46 46 ILE HA H 46 4.863 4.880 -0.017 1
1 440 . 18 1 1 A 46 46 ILE CB C 46 41.370 39.352 2.018 1
1 452 . 18 1 1 A 46 46 ILE C C 46 174.379 173.931 0.448 1
1 454 . 18 1 1 A 47 47 ASP N N 47 127.143 129.331 -2.188 1
1 455 . 18 1 1 A 47 47 ASP H H 47 9.281 9.153 0.128 1
1 456 . 18 1 1 A 47 47 ASP CA C 47 53.297 53.011 0.286 1
1 457 . 18 1 1 A 47 47 ASP HA H 47 4.976 5.006 -0.030 1
1 458 . 18 1 1 A 47 47 ASP CB C 47 41.371 41.794 -0.423 1
1 460 . 18 1 1 A 47 47 ASP C C 47 174.962 174.951 0.011 1
1 462 . 18 1 1 A 48 48 ALA N N 48 129.371 129.496 -0.125 1
1 463 . 18 1 1 A 48 48 ALA H H 48 9.078 8.687 0.391 1
1 464 . 18 1 1 A 48 48 ALA CA C 48 50.554 50.803 -0.249 1
1 465 . 18 1 1 A 48 48 ALA HA H 48 4.641 4.931 -0.290 1
1 466 . 18 1 1 A 48 48 ALA CB C 48 19.699 20.515 -0.816 1
1 470 . 18 1 1 A 48 48 ALA C C 48 179.317 176.658 2.659 1
1 471 . 18 1 1 A 49 49 ARG N N 49 122.060 124.329 -2.269 1
1 472 . 18 1 1 A 49 49 ARG H H 49 8.590 9.029 -0.439 1
1 473 . 18 1 1 A 49 49 ARG CA C 49 60.964 57.378 3.586 1
1 474 . 18 1 1 A 49 49 ARG HA H 49 3.987 4.484 -0.497 1
1 475 . 18 1 1 A 49 49 ARG CB C 49 30.654 31.303 -0.649 1
1 483 . 18 1 1 A 49 49 ARG C C 49 178.077 176.539 1.538 1
1 487 . 18 1 1 A 50 50 ASP N N 50 116.664 117.626 -0.962 1
1 488 . 18 1 1 A 50 50 ASP H H 50 8.794 7.824 0.970 1
1 489 . 18 1 1 A 50 50 ASP CA C 50 53.827 53.069 0.758 1
1 490 . 18 1 1 A 50 50 ASP HA H 50 5.040 4.894 0.146 1
1 491 . 18 1 1 A 50 50 ASP CB C 50 41.595 41.230 0.365 1
1 493 . 18 1 1 A 50 50 ASP C C 50 175.754 176.814 -1.060 1
1 495 . 18 1 1 A 51 51 ALA N N 51 121.173 122.482 -1.309 1
1 496 . 18 1 1 A 51 51 ALA H H 51 7.406 7.764 -0.358 1
1 497 . 18 1 1 A 51 51 ALA CA C 51 52.147 51.985 0.162 1
1 498 . 18 1 1 A 51 51 ALA HA H 51 4.414 4.210 0.204 1
1 499 . 18 1 1 A 51 51 ALA CB C 51 23.427 18.982 4.445 1
1 503 . 18 1 1 A 51 51 ALA C C 51 176.763 177.973 -1.210 1
1 504 . 18 1 1 A 52 52 GLY N N 52 108.187 107.195 0.992 1
1 505 . 18 1 1 A 52 52 GLY H H 52 8.521 8.000 0.521 1
1 506 . 18 1 1 A 52 52 GLY CA C 52 45.210 46.806 -1.596 1
1 507 . 18 1 1 A 52 52 GLY HA3 H 52 3.859 4.011 -0.152 1
1 508 . 18 1 1 A 52 52 GLY C C 52 175.060 173.366 1.694 1
1 509 . 18 1 1 A 52 52 GLY HA2 H 52 4.492 3.975 0.517 1
1 510 . 18 1 1 A 53 53 GLU N N 53 124.810 124.099 0.711 1
1 511 . 18 1 1 A 53 53 GLU H H 53 8.643 8.769 -0.126 1
1 512 . 18 1 1 A 53 53 GLU CA C 53 56.352 55.033 1.319 1
1 513 . 18 1 1 A 53 53 GLU HA H 53 4.663 5.178 -0.515 1
1 514 . 18 1 1 A 53 53 GLU CB C 53 31.164 33.037 -1.873 1
1 518 . 18 1 1 A 53 53 GLU C C 53 173.491 175.743 -2.252 1
1 521 . 18 1 1 A 54 54 GLY N N 54 111.417 112.427 -1.010 1
1 522 . 18 1 1 A 54 54 GLY H H 54 7.465 8.486 -1.021 1
1 523 . 18 1 1 A 54 54 GLY CA C 54 43.622 45.558 -1.936 1
1 524 . 18 1 1 A 54 54 GLY HA3 H 54 2.287 4.110 -1.823 1
1 525 . 18 1 1 A 54 54 GLY C C 54 170.013 171.248 -1.235 1
1 526 . 18 1 1 A 54 54 GLY HA2 H 54 3.819 3.906 -0.087 1
1 527 . 18 1 1 A 55 55 LEU N N 55 117.446 121.984 -4.538 1
1 528 . 18 1 1 A 55 55 LEU H H 55 7.461 8.104 -0.643 1
1 529 . 18 1 1 A 55 55 LEU CA C 55 54.041 53.510 0.531 1
1 530 . 18 1 1 A 55 55 LEU HA H 55 4.293 4.758 -0.465 1
1 531 . 18 1 1 A 55 55 LEU CB C 55 42.832 43.655 -0.823 1
1 543 . 18 1 1 A 55 55 LEU C C 55 176.872 175.044 1.828 1
1 545 . 18 1 1 A 56 56 LEU N N 56 131.840 127.560 4.280 1
1 546 . 18 1 1 A 56 56 LEU H H 56 8.791 8.846 -0.055 1
1 547 . 18 1 1 A 56 56 LEU CA C 56 53.807 53.163 0.644 1
1 548 . 18 1 1 A 56 56 LEU HA H 56 5.053 5.133 -0.080 1
1 549 . 18 1 1 A 56 56 LEU CB C 56 43.113 45.731 -2.618 1
1 561 . 18 1 1 A 56 56 LEU C C 56 175.389 174.805 0.584 1
1 563 . 18 1 1 A 57 57 ALA N N 57 130.035 127.123 2.912 1
1 564 . 18 1 1 A 57 57 ALA H H 57 8.880 8.398 0.482 1
1 565 . 18 1 1 A 57 57 ALA CA C 57 51.758 50.692 1.066 1
1 566 . 18 1 1 A 57 57 ALA HA H 57 4.641 5.239 -0.598 1
1 567 . 18 1 1 A 57 57 ALA CB C 57 21.820 23.741 -1.921 1
1 571 . 18 1 1 A 57 57 ALA C C 57 174.647 175.076 -0.429 1
1 572 . 18 1 1 A 58 58 VAL N N 58 120.958 118.907 2.051 1
1 573 . 18 1 1 A 58 58 VAL H H 58 8.443 8.836 -0.393 1
1 574 . 18 1 1 A 58 58 VAL CA C 58 60.495 59.770 0.725 1
1 575 . 18 1 1 A 58 58 VAL HA H 58 4.988 4.895 0.093 1
1 576 . 18 1 1 A 58 58 VAL CB C 58 34.639 34.613 0.026 1
1 586 . 18 1 1 A 58 58 VAL C C 58 174.646 173.403 1.243 1
1 587 . 18 1 1 A 59 59 GLN N N 59 127.048 126.368 0.680 1
1 588 . 18 1 1 A 59 59 GLN H H 59 9.196 8.609 0.587 1
1 589 . 18 1 1 A 59 59 GLN CA C 59 54.587 54.699 -0.112 1
1 590 . 18 1 1 A 59 59 GLN HA H 59 4.706 4.821 -0.115 1
1 591 . 18 1 1 A 59 59 GLN CB C 59 31.580 30.122 1.458 1
1 598 . 18 1 1 A 59 59 GLN C C 59 174.197 174.758 -0.561 1
1 601 . 18 1 1 A 60 60 ILE N N 60 127.617 125.708 1.909 1
1 602 . 18 1 1 A 60 60 ILE H H 60 9.299 9.036 0.263 1
1 603 . 18 1 1 A 60 60 ILE CA C 60 60.506 60.096 0.410 1
1 604 . 18 1 1 A 60 60 ILE HA H 60 5.210 4.998 0.212 1
1 605 . 18 1 1 A 60 60 ILE CB C 60 39.172 39.750 -0.578 1
1 617 . 18 1 1 A 60 60 ILE C C 60 175.608 175.121 0.487 1
1 619 . 18 1 1 A 61 61 THR N N 61 119.733 117.679 2.054 1
1 620 . 18 1 1 A 61 61 THR H H 61 8.924 8.739 0.185 1
1 621 . 18 1 1 A 61 61 THR CA C 61 59.565 59.362 0.203 1
1 622 . 18 1 1 A 61 61 THR HA H 61 5.173 5.719 -0.546 1
1 623 . 18 1 1 A 61 61 THR CB C 61 72.121 72.563 -0.442 1
1 629 . 18 1 1 A 61 61 THR C C 61 174.051 173.398 0.653 1
1 630 . 18 1 1 A 62 62 ASP N N 62 122.337 120.646 1.691 1
1 631 . 18 1 1 A 62 62 ASP H H 62 8.484 8.329 0.155 1
1 632 . 18 1 1 A 62 62 ASP CA C 62 52.200 51.566 0.634 1
1 633 . 18 1 1 A 62 62 ASP HA H 62 4.425 4.592 -0.167 1
1 634 . 18 1 1 A 62 62 ASP CB C 62 42.222 42.154 0.068 1
1 636 . 18 1 1 A 62 62 ASP C C 62 179.086 177.858 1.228 1
1 638 . 18 1 1 A 63 63 GLN N N 63 118.341 117.488 0.853 1
1 639 . 18 1 1 A 63 63 GLN H H 63 8.250 8.775 -0.525 1
1 640 . 18 1 1 A 63 63 GLN CA C 63 58.406 58.447 -0.041 1
1 641 . 18 1 1 A 63 63 GLN HA H 63 4.049 4.057 -0.008 1
1 642 . 18 1 1 A 63 63 GLN CB C 63 28.127 27.766 0.361 1
1 649 . 18 1 1 A 63 63 GLN C C 63 177.152 177.670 -0.518 1
1 652 . 18 1 1 A 64 64 GLU N N 64 119.134 119.104 0.030 1
1 653 . 18 1 1 A 64 64 GLU H H 64 8.120 7.749 0.371 1
1 654 . 18 1 1 A 64 64 GLU CA C 64 55.790 56.697 -0.907 1
1 655 . 18 1 1 A 64 64 GLU HA H 64 4.423 4.399 0.024 1
1 656 . 18 1 1 A 64 64 GLU CB C 64 30.102 30.345 -0.243 1
1 660 . 18 1 1 A 64 64 GLU C C 64 176.374 176.696 -0.322 1
1 663 . 18 1 1 A 65 65 GLY N N 65 108.728 108.179 0.549 1
1 664 . 18 1 1 A 65 65 GLY H H 65 8.306 8.406 -0.100 1
1 665 . 18 1 1 A 65 65 GLY CA C 65 45.285 46.315 -1.030 1
1 666 . 18 1 1 A 65 65 GLY HA3 H 65 3.561 3.933 -0.372 1
1 667 . 18 1 1 A 65 65 GLY C C 65 174.342 174.655 -0.313 1
1 668 . 18 1 1 A 65 65 GLY HA2 H 65 4.203 3.931 0.272 1
1 669 . 18 1 1 A 66 66 LYS N N 66 123.502 119.632 3.870 1
1 670 . 18 1 1 A 66 66 LYS H H 66 8.528 8.201 0.327 1
1 671 . 18 1 1 A 66 66 LYS CA C 66 53.738 53.245 0.493 1
1 672 . 18 1 1 A 66 66 LYS HA H 66 4.613 4.677 -0.064 1
1 673 . 18 1 1 A 66 66 LYS CB C 66 31.167 32.374 -1.207 1
1 681 . 18 1 1 A 66 66 LYS C C 66 174.752 174.318 0.434 1
1 686 . 18 1 1 A 67 67 PRO CA C 67 62.433 62.709 -0.276 1
1 687 . 18 1 1 A 67 67 PRO HA H 67 5.062 4.711 0.351 1
1 688 . 18 1 1 A 67 67 PRO CB C 67 32.725 31.854 0.871 1
1 694 . 18 1 1 A 67 67 PRO C C 67 177.270 175.997 1.273 1
1 698 . 18 1 1 A 68 68 LYS N N 68 121.461 121.680 -0.219 1
1 699 . 18 1 1 A 68 68 LYS H H 68 8.419 8.075 0.344 1
1 700 . 18 1 1 A 68 68 LYS CA C 68 52.023 54.634 -2.611 1
1 701 . 18 1 1 A 68 68 LYS HA H 68 4.797 4.924 -0.127 1
1 702 . 18 1 1 A 68 68 LYS CB C 68 32.611 35.735 -3.124 1
1 710 . 18 1 1 A 68 68 LYS C C 68 175.389 174.669 0.720 1
1 715 . 18 1 1 A 69 69 ARG N N 69 124.040 123.668 0.372 1
1 716 . 18 1 1 A 69 69 ARG H H 69 8.683 8.831 -0.148 1
1 717 . 18 1 1 A 69 69 ARG CA C 69 57.045 55.764 1.281 1
1 718 . 18 1 1 A 69 69 ARG HA H 69 4.221 4.847 -0.626 1
1 719 . 18 1 1 A 69 69 ARG CB C 69 30.712 31.426 -0.714 1
1 725 . 18 1 1 A 69 69 ARG C C 69 174.877 175.045 -0.168 1
1 729 . 18 1 1 A 70 70 ALA N N 70 127.074 127.193 -0.119 1
1 730 . 18 1 1 A 70 70 ALA H H 70 8.421 8.494 -0.073 1
1 731 . 18 1 1 A 70 70 ALA CA C 70 50.360 50.695 -0.335 1
1 732 . 18 1 1 A 70 70 ALA HA H 70 4.859 5.176 -0.317 1
1 733 . 18 1 1 A 70 70 ALA CB C 70 20.569 22.856 -2.287 1
1 737 . 18 1 1 A 70 70 ALA C C 70 176.313 175.894 0.419 1
1 738 . 18 1 1 A 71 71 ILE N N 71 124.496 122.367 2.129 1
1 739 . 18 1 1 A 71 71 ILE H H 71 8.943 8.600 0.343 1
1 740 . 18 1 1 A 71 71 ILE CA C 71 60.870 61.256 -0.386 1
1 741 . 18 1 1 A 71 71 ILE HA H 71 4.195 4.321 -0.126 1
1 742 . 18 1 1 A 71 71 ILE CB C 71 38.457 37.790 0.667 1
1 754 . 18 1 1 A 71 71 ILE C C 71 175.027 175.688 -0.661 1
1 756 . 18 1 1 A 72 72 VAL N N 72 128.410 126.498 1.912 1
1 757 . 18 1 1 A 72 72 VAL H H 72 8.714 8.785 -0.071 1
1 758 . 18 1 1 A 72 72 VAL CA C 72 61.867 61.246 0.621 1
1 759 . 18 1 1 A 72 72 VAL HA H 72 4.478 4.512 -0.034 1
1 760 . 18 1 1 A 72 72 VAL CB C 72 32.745 32.629 0.116 1
1 770 . 18 1 1 A 72 72 VAL C C 72 175.279 174.491 0.788 1
1 771 . 18 1 1 A 73 73 HIS N N 73 129.084 127.911 1.173 1
1 772 . 18 1 1 A 73 73 HIS H H 73 9.783 9.278 0.505 1
1 773 . 18 1 1 A 73 73 HIS CA C 73 55.366 54.487 0.879 1
1 774 . 18 1 1 A 73 73 HIS HA H 73 4.849 4.873 -0.024 1
1 775 . 18 1 1 A 73 73 HIS CB C 73 31.465 31.075 0.390 1
1 781 . 18 1 1 A 73 73 HIS C C 73 173.491 173.052 0.439 1
1 783 . 18 1 1 A 74 74 ASP N N 74 127.118 125.718 1.400 1
1 784 . 18 1 1 A 74 74 ASP H H 74 8.541 8.843 -0.302 1
1 785 . 18 1 1 A 74 74 ASP CA C 74 53.048 53.508 -0.460 1
1 786 . 18 1 1 A 74 74 ASP HA H 74 4.476 4.850 -0.374 1
1 787 . 18 1 1 A 74 74 ASP CB C 74 41.554 41.625 -0.071 1
1 789 . 18 1 1 A 74 74 ASP C C 74 175.936 175.872 0.064 1
1 791 . 18 1 1 A 75 75 ASN N N 75 124.002 122.635 1.367 1
1 792 . 18 1 1 A 75 75 ASN H H 75 7.827 8.529 -0.702 1
1 793 . 18 1 1 A 75 75 ASN CA C 75 54.517 52.881 1.636 1
1 794 . 18 1 1 A 75 75 ASN HA H 75 4.572 4.700 -0.128 1
1 795 . 18 1 1 A 75 75 ASN CB C 75 38.091 39.416 -1.325 1
1 800 . 18 1 1 A 75 75 ASN C C 75 175.352 175.146 0.206 1
1 802 . 18 1 1 A 76 76 LYS N N 76 114.689 118.217 -3.528 1
1 803 . 18 1 1 A 76 76 LYS H H 76 9.246 7.854 1.392 1
1 804 . 18 1 1 A 76 76 LYS CA C 76 57.428 57.037 0.391 1
1 805 . 18 1 1 A 76 76 LYS HA H 76 3.882 3.876 0.006 1
1 806 . 18 1 1 A 76 76 LYS CB C 76 28.223 30.158 -1.935 1
1 814 . 18 1 1 A 76 76 LYS C C 76 174.975 176.241 -1.266 1
1 819 . 18 1 1 A 77 77 ASP N N 77 117.462 118.353 -0.891 1
1 820 . 18 1 1 A 77 77 ASP H H 77 7.831 8.408 -0.577 1
1 821 . 18 1 1 A 77 77 ASP CA C 77 52.168 53.159 -0.991 1
1 822 . 18 1 1 A 77 77 ASP HA H 77 4.706 4.782 -0.076 1
1 823 . 18 1 1 A 77 77 ASP CB C 77 41.224 42.170 -0.946 1
1 825 . 18 1 1 A 77 77 ASP C C 77 176.739 176.466 0.273 1
1 827 . 18 1 1 A 78 78 GLY N N 78 109.485 106.393 3.092 1
1 828 . 18 1 1 A 78 78 GLY H H 78 8.658 8.499 0.159 1
1 829 . 18 1 1 A 78 78 GLY CA C 78 45.568 44.889 0.679 1
1 830 . 18 1 1 A 78 78 GLY HA3 H 78 3.698 3.996 -0.298 1
1 831 . 18 1 1 A 78 78 GLY C C 78 172.263 173.501 -1.238 1
1 832 . 18 1 1 A 78 78 GLY HA2 H 78 4.323 3.993 0.330 1
1 833 . 18 1 1 A 79 79 THR N N 79 109.462 109.875 -0.413 1
1 834 . 18 1 1 A 79 79 THR H H 79 8.057 7.234 0.823 1
1 835 . 18 1 1 A 79 79 THR CA C 79 59.989 59.928 0.061 1
1 836 . 18 1 1 A 79 79 THR HA H 79 5.566 5.125 0.441 1
1 837 . 18 1 1 A 79 79 THR CB C 79 72.712 72.903 -0.191 1
1 843 . 18 1 1 A 79 79 THR C C 79 173.868 171.888 1.980 1
1 844 . 18 1 1 A 80 80 TYR N N 80 116.428 119.103 -2.675 1
1 845 . 18 1 1 A 80 80 TYR H H 80 9.085 8.579 0.506 1
1 846 . 18 1 1 A 80 80 TYR CA C 80 56.533 56.380 0.153 1
1 847 . 18 1 1 A 80 80 TYR HA H 80 5.372 5.143 0.229 1
1 848 . 18 1 1 A 80 80 TYR CB C 80 42.831 42.767 0.064 1
1 858 . 18 1 1 A 80 80 TYR C C 80 175.327 174.598 0.729 1
1 860 . 18 1 1 A 81 81 ALA N N 81 126.743 125.793 0.950 1
1 861 . 18 1 1 A 81 81 ALA H H 81 9.302 8.653 0.649 1
1 862 . 18 1 1 A 81 81 ALA CA C 81 51.121 49.848 1.273 1
1 863 . 18 1 1 A 81 81 ALA HA H 81 5.149 5.632 -0.483 1
1 864 . 18 1 1 A 81 81 ALA CB C 81 22.111 23.050 -0.939 1
1 868 . 18 1 1 A 81 81 ALA C C 81 175.505 175.763 -0.258 1
1 869 . 18 1 1 A 82 82 VAL N N 82 124.472 120.681 3.791 1
1 870 . 18 1 1 A 82 82 VAL H H 82 8.940 8.013 0.927 1
1 871 . 18 1 1 A 82 82 VAL CA C 82 60.264 60.822 -0.558 1
1 872 . 18 1 1 A 82 82 VAL HA H 82 5.039 4.653 0.386 1
1 873 . 18 1 1 A 82 82 VAL CB C 82 33.236 34.648 -1.412 1
1 883 . 18 1 1 A 82 82 VAL C C 82 174.517 174.079 0.438 1
1 884 . 18 1 1 A 83 83 THR N N 83 121.500 122.950 -1.450 1
1 885 . 18 1 1 A 83 83 THR H H 83 8.717 8.387 0.330 1
1 886 . 18 1 1 A 83 83 THR CA C 83 61.075 61.757 -0.682 1
1 887 . 18 1 1 A 83 83 THR HA H 83 5.497 5.199 0.298 1
1 888 . 18 1 1 A 83 83 THR CB C 83 72.153 70.941 1.212 1
1 894 . 18 1 1 A 83 83 THR C C 83 173.515 173.604 -0.089 1
1 895 . 18 1 1 A 84 84 TYR N N 84 122.841 121.050 1.791 1
1 896 . 18 1 1 A 84 84 TYR H H 84 9.014 8.843 0.171 1
1 897 . 18 1 1 A 84 84 TYR CA C 84 55.985 55.736 0.249 1
1 898 . 18 1 1 A 84 84 TYR HA H 84 4.979 5.357 -0.378 1
1 899 . 18 1 1 A 84 84 TYR CB C 84 41.967 41.569 0.398 1
1 909 . 18 1 1 A 84 84 TYR C C 84 171.873 172.887 -1.014 1
1 911 . 18 1 1 A 85 85 ILE N N 85 118.254 123.799 -5.545 1
1 912 . 18 1 1 A 85 85 ILE H H 85 8.805 8.909 -0.104 1
1 913 . 18 1 1 A 85 85 ILE CA C 85 57.883 58.051 -0.168 1
1 914 . 18 1 1 A 85 85 ILE HA H 85 4.550 4.498 0.052 1
1 915 . 18 1 1 A 85 85 ILE CB C 85 40.179 38.501 1.678 1
1 927 . 18 1 1 A 85 85 ILE C C 85 174.339 174.702 -0.363 1
1 929 . 18 1 1 A 86 86 PRO CA C 86 61.414 62.696 -1.282 1
1 930 . 18 1 1 A 86 86 PRO HA H 86 4.436 4.708 -0.272 1
1 931 . 18 1 1 A 86 86 PRO CB C 86 30.107 31.706 -1.599 1
1 937 . 18 1 1 A 86 86 PRO C C 86 175.126 177.070 -1.944 1
1 941 . 18 1 1 A 87 87 ASP N N 87 123.447 124.240 -0.793 1
1 942 . 18 1 1 A 87 87 ASP H H 87 8.501 8.998 -0.497 1
1 943 . 18 1 1 A 87 87 ASP CA C 87 55.668 56.500 -0.832 1
1 944 . 18 1 1 A 87 87 ASP HA H 87 4.263 4.609 -0.346 1
1 945 . 18 1 1 A 87 87 ASP CB C 87 40.930 41.340 -0.410 1
1 947 . 18 1 1 A 87 87 ASP C C 87 175.182 176.318 -1.136 1
1 949 . 18 1 1 A 88 88 LYS N N 88 116.947 119.344 -2.397 1
1 950 . 18 1 1 A 88 88 LYS H H 88 7.683 8.041 -0.358 1
1 951 . 18 1 1 A 88 88 LYS CA C 88 54.995 55.851 -0.856 1
1 952 . 18 1 1 A 88 88 LYS HA H 88 4.588 4.438 0.150 1
1 953 . 18 1 1 A 88 88 LYS CB C 88 34.821 32.735 2.086 1
1 961 . 18 1 1 A 88 88 LYS C C 88 177.529 176.244 1.285 1
1 966 . 18 1 1 A 89 89 THR N N 89 114.134 118.899 -4.765 1
1 967 . 18 1 1 A 89 89 THR H H 89 8.588 8.626 -0.038 1
1 968 . 18 1 1 A 89 89 THR CA C 89 62.828 62.292 0.536 1
1 969 . 18 1 1 A 89 89 THR HA H 89 4.083 4.464 -0.381 1
1 970 . 18 1 1 A 89 89 THR CB C 89 69.590 69.426 0.164 1
1 976 . 18 1 1 A 89 89 THR C C 89 174.269 174.613 -0.344 1
1 977 . 18 1 1 A 90 90 GLY N N 90 109.440 109.054 0.386 1
1 978 . 18 1 1 A 90 90 GLY H H 90 8.444 8.609 -0.165 1
1 979 . 18 1 1 A 90 90 GLY CA C 90 44.648 45.078 -0.430 1
1 980 . 18 1 1 A 90 90 GLY HA3 H 90 4.467 4.157 0.310 1
1 981 . 18 1 1 A 90 90 GLY C C 90 172.469 172.247 0.222 1
1 982 . 18 1 1 A 90 90 GLY HA2 H 90 3.908 4.078 -0.170 1
1 983 . 18 1 1 A 91 91 ARG N N 91 120.781 120.864 -0.083 1
1 984 . 18 1 1 A 91 91 ARG H H 91 8.271 8.236 0.035 1
1 985 . 18 1 1 A 91 91 ARG CA C 91 56.178 56.656 -0.478 1
1 986 . 18 1 1 A 91 91 ARG HA H 91 4.951 4.305 0.646 1
1 987 . 18 1 1 A 91 91 ARG CB C 91 31.986 30.967 1.019 1
1 993 . 18 1 1 A 91 91 ARG C C 91 175.711 174.980 0.731 1
1 997 . 18 1 1 A 92 92 TYR N N 92 122.381 126.203 -3.822 1
1 998 . 18 1 1 A 92 92 TYR H H 92 9.312 8.999 0.313 1
1 999 . 18 1 1 A 92 92 TYR CA C 92 56.886 56.598 0.288 1
1 1000 . 18 1 1 A 92 92 TYR HA H 92 4.960 5.136 -0.176 1
1 1001 . 18 1 1 A 92 92 TYR CB C 92 41.223 40.257 0.966 1
1 1011 . 18 1 1 A 92 92 TYR C C 92 174.902 174.272 0.630 1
1 1013 . 18 1 1 A 93 93 MET N N 93 121.210 124.748 -3.538 1
1 1014 . 18 1 1 A 93 93 MET H H 93 8.819 8.840 -0.021 1
1 1015 . 18 1 1 A 93 93 MET CA C 93 53.745 53.834 -0.089 1
1 1016 . 18 1 1 A 93 93 MET HA H 93 5.346 5.366 -0.020 1
1 1017 . 18 1 1 A 93 93 MET CB C 93 34.220 35.091 -0.871 1
1 1025 . 18 1 1 A 93 93 MET C C 93 175.365 174.696 0.669 1
1 1028 . 18 1 1 A 94 94 ILE N N 94 125.747 126.753 -1.006 1
1 1029 . 18 1 1 A 94 94 ILE H H 94 9.372 8.877 0.495 1
1 1030 . 18 1 1 A 94 94 ILE CA C 94 60.685 59.685 1.000 1
1 1031 . 18 1 1 A 94 94 ILE HA H 94 4.606 5.208 -0.602 1
1 1032 . 18 1 1 A 94 94 ILE CB C 94 39.188 40.474 -1.286 1
1 1044 . 18 1 1 A 94 94 ILE C C 94 174.987 174.969 0.018 1
1 1046 . 18 1 1 A 95 95 GLY N N 95 116.553 115.288 1.265 1
1 1047 . 18 1 1 A 95 95 GLY H H 95 9.509 9.164 0.345 1
1 1048 . 18 1 1 A 95 95 GLY CA C 95 44.507 45.234 -0.727 1
1 1049 . 18 1 1 A 95 95 GLY HA3 H 95 3.605 4.182 -0.577 1
1 1050 . 18 1 1 A 95 95 GLY C C 95 173.175 172.045 1.130 1
1 1051 . 18 1 1 A 95 95 GLY HA2 H 95 4.606 4.159 0.447 1
1 1052 . 18 1 1 A 96 96 VAL N N 96 127.036 128.015 -0.979 1
1 1053 . 18 1 1 A 96 96 VAL H H 96 9.299 8.936 0.363 1
1 1054 . 18 1 1 A 96 96 VAL CA C 96 61.308 62.725 -1.417 1
1 1055 . 18 1 1 A 96 96 VAL HA H 96 4.889 4.532 0.357 1
1 1056 . 18 1 1 A 96 96 VAL CB C 96 34.145 31.942 2.203 1
1 1066 . 18 1 1 A 96 96 VAL C C 96 174.354 175.619 -1.265 1
1 1067 . 18 1 1 A 97 97 THR N N 97 115.219 118.980 -3.761 1
1 1068 . 18 1 1 A 97 97 THR H H 97 9.018 8.648 0.370 1
1 1069 . 18 1 1 A 97 97 THR CA C 97 57.826 59.491 -1.665 1
1 1070 . 18 1 1 A 97 97 THR HA H 97 5.265 5.450 -0.185 1
1 1071 . 18 1 1 A 97 97 THR CB C 97 72.753 71.884 0.869 1
1 1077 . 18 1 1 A 97 97 THR C C 97 173.175 173.072 0.103 1
1 1078 . 18 1 1 A 98 98 TYR N N 98 122.768 123.699 -0.931 1
1 1079 . 18 1 1 A 98 98 TYR H H 98 9.149 9.480 -0.331 1
1 1080 . 18 1 1 A 98 98 TYR CA C 98 57.488 57.321 0.167 1
1 1081 . 18 1 1 A 98 98 TYR HA H 98 5.077 5.113 -0.036 1
1 1082 . 18 1 1 A 98 98 TYR CB C 98 43.122 41.716 1.406 1
1 1092 . 18 1 1 A 98 98 TYR C C 98 175.949 175.505 0.444 1
1 1094 . 18 1 1 A 99 99 GLY N N 99 113.994 115.017 -1.023 1
1 1095 . 18 1 1 A 99 99 GLY H H 99 8.402 8.888 -0.486 1
1 1096 . 18 1 1 A 99 99 GLY CA C 99 45.010 46.183 -1.173 1
1 1097 . 18 1 1 A 99 99 GLY HA3 H 99 2.623 3.225 -0.602 1
1 1098 . 18 1 1 A 99 99 GLY C C 99 174.197 175.170 -0.973 1
1 1099 . 18 1 1 A 99 99 GLY HA2 H 99 3.220 2.637 0.583 1
1 1100 . 18 1 1 A 100 100 GLY N N 100 103.115 106.847 -3.732 1
1 1101 . 18 1 1 A 100 100 GLY H H 100 8.288 8.594 -0.306 1
1 1102 . 18 1 1 A 100 100 GLY CA C 100 44.170 45.806 -1.636 1
1 1103 . 18 1 1 A 100 100 GLY HA3 H 100 4.265 3.881 0.384 1
1 1104 . 18 1 1 A 100 100 GLY C C 100 173.054 173.363 -0.309 1
1 1105 . 18 1 1 A 100 100 GLY HA2 H 100 3.284 3.870 -0.586 1
1 1106 . 18 1 1 A 101 101 ASP N N 101 120.566 119.765 0.801 1
1 1107 . 18 1 1 A 101 101 ASP H H 101 7.245 7.807 -0.562 1
1 1108 . 18 1 1 A 101 101 ASP CA C 101 52.908 53.074 -0.166 1
1 1109 . 18 1 1 A 101 101 ASP HA H 101 5.012 5.130 -0.118 1
1 1110 . 18 1 1 A 101 101 ASP CB C 101 42.831 44.429 -1.598 1
1 1112 . 18 1 1 A 101 101 ASP C C 101 175.182 174.883 0.299 1
1 1114 . 18 1 1 A 102 102 ASP N N 102 122.668 125.265 -2.597 1
1 1115 . 18 1 1 A 102 102 ASP H H 102 8.597 8.941 -0.344 1
1 1116 . 18 1 1 A 102 102 ASP CA C 102 56.233 53.727 2.506 1
1 1117 . 18 1 1 A 102 102 ASP HA H 102 4.667 5.142 -0.475 1
1 1118 . 18 1 1 A 102 102 ASP CB C 102 42.373 41.588 0.785 1
1 1120 . 18 1 1 A 102 102 ASP C C 102 176.970 175.871 1.099 1
1 1122 . 18 1 1 A 103 103 ILE N N 103 117.672 120.013 -2.341 1
1 1123 . 18 1 1 A 103 103 ILE H H 103 7.887 7.957 -0.070 1
1 1124 . 18 1 1 A 103 103 ILE CA C 103 61.025 60.096 0.929 1
1 1125 . 18 1 1 A 103 103 ILE HA H 103 4.526 4.403 0.123 1
1 1126 . 18 1 1 A 103 103 ILE CB C 103 35.534 37.694 -2.160 1
1 1138 . 18 1 1 A 103 103 ILE C C 103 173.902 176.528 -2.626 1
1 1140 . 18 1 1 A 104 104 PRO CA C 104 66.456 64.420 2.036 1
1 1141 . 18 1 1 A 104 104 PRO HA H 104 4.177 4.552 -0.375 1
1 1142 . 18 1 1 A 104 104 PRO CB C 104 31.709 31.602 0.107 1
1 1151 . 18 1 1 A 105 105 LEU N N 105 115.386 117.645 -2.259 1
1 1152 . 18 1 1 A 105 105 LEU H H 105 8.464 7.995 0.469 1
1 1153 . 18 1 1 A 105 105 LEU CA C 105 55.294 56.254 -0.960 1
1 1154 . 18 1 1 A 105 105 LEU HA H 105 3.845 4.199 -0.354 1
1 1155 . 18 1 1 A 105 105 LEU CB C 105 39.148 42.867 -3.719 1
1 1168 . 18 1 1 A 106 106 SER N N 106 111.669 113.918 -2.249 1
1 1169 . 18 1 1 A 106 106 SER H H 106 7.338 7.346 -0.008 1
1 1170 . 18 1 1 A 106 106 SER CA C 106 54.750 56.729 -1.979 1
1 1171 . 18 1 1 A 106 106 SER HA H 106 4.347 4.713 -0.366 1
1 1172 . 18 1 1 A 106 106 SER CB C 106 64.133 63.627 0.506 1
1 1175 . 18 1 1 A 107 107 PRO CA C 107 62.344 62.454 -0.110 1
1 1176 . 18 1 1 A 107 107 PRO HA H 107 5.323 4.882 0.441 1
1 1177 . 18 1 1 A 107 107 PRO CB C 107 33.977 32.937 1.040 1
1 1183 . 18 1 1 A 107 107 PRO C C 107 176.003 174.757 1.246 1
1 1187 . 18 1 1 A 108 108 TYR N N 108 122.832 119.315 3.517 1
1 1188 . 18 1 1 A 108 108 TYR H H 108 9.294 8.323 0.971 1
1 1189 . 18 1 1 A 108 108 TYR CA C 108 57.629 56.658 0.971 1
1 1190 . 18 1 1 A 108 108 TYR HA H 108 4.428 4.990 -0.562 1
1 1191 . 18 1 1 A 108 108 TYR CB C 108 40.091 41.612 -1.521 1
1 1201 . 18 1 1 A 108 108 TYR C C 108 175.851 175.263 0.588 1
1 1203 . 18 1 1 A 109 109 ARG N N 109 122.941 123.453 -0.512 1
1 1204 . 18 1 1 A 109 109 ARG H H 109 8.746 8.789 -0.043 1
1 1205 . 18 1 1 A 109 109 ARG CA C 109 55.259 56.132 -0.873 1
1 1206 . 18 1 1 A 109 109 ARG HA H 109 5.189 4.870 0.319 1
1 1207 . 18 1 1 A 109 109 ARG CB C 109 30.879 31.379 -0.500 1
1 1213 . 18 1 1 A 109 109 ARG C C 109 175.522 175.739 -0.217 1
1 1217 . 18 1 1 A 110 110 ILE N N 110 125.109 123.768 1.341 1
1 1218 . 18 1 1 A 110 110 ILE H H 110 8.742 8.383 0.359 1
1 1219 . 18 1 1 A 110 110 ILE CA C 110 57.577 59.912 -2.335 1
1 1220 . 18 1 1 A 110 110 ILE HA H 110 4.758 4.807 -0.049 1
1 1221 . 18 1 1 A 110 110 ILE CB C 110 41.138 42.701 -1.563 1
1 1233 . 18 1 1 A 110 110 ILE C C 110 175.121 174.723 0.398 1
1 1235 . 18 1 1 A 111 111 ARG N N 111 125.357 124.893 0.464 1
1 1236 . 18 1 1 A 111 111 ARG H H 111 8.776 8.765 0.011 1
1 1237 . 18 1 1 A 111 111 ARG CA C 111 54.730 54.350 0.380 1
1 1238 . 18 1 1 A 111 111 ARG HA H 111 5.053 5.110 -0.057 1
1 1239 . 18 1 1 A 111 111 ARG CB C 111 32.685 32.318 0.367 1
1 1245 . 18 1 1 A 111 111 ARG C C 111 174.163 175.144 -0.981 1
1 1249 . 18 1 1 A 112 112 ALA N N 112 127.119 128.487 -1.368 1
1 1250 . 18 1 1 A 112 112 ALA H H 112 9.208 8.944 0.264 1
1 1251 . 18 1 1 A 112 112 ALA CA C 112 49.945 51.942 -1.997 1
1 1252 . 18 1 1 A 112 112 ALA HA H 112 5.851 4.931 0.920 1
1 1253 . 18 1 1 A 112 112 ALA CB C 112 21.329 19.599 1.730 1
1 1257 . 18 1 1 A 112 112 ALA C C 112 178.853 176.519 2.334 1
1 1258 . 18 1 1 A 113 113 THR N N 113 116.033 119.705 -3.672 1
1 1259 . 18 1 1 A 113 113 THR H H 113 8.995 9.334 -0.339 1
1 1260 . 18 1 1 A 113 113 THR CA C 113 60.312 60.204 0.108 1
1 1261 . 18 1 1 A 113 113 THR HA H 113 4.695 5.211 -0.516 1
1 1262 . 18 1 1 A 113 113 THR CB C 113 71.251 72.093 -0.842 1
1 1268 . 18 1 1 A 113 113 THR C C 113 173.710 172.732 0.978 1
1 1269 . 18 1 1 A 114 114 GLN N N 114 122.122 127.385 -5.263 1
1 1270 . 18 1 1 A 114 114 GLN H H 114 8.753 8.866 -0.113 1
1 1271 . 18 1 1 A 114 114 GLN CA C 114 55.817 54.961 0.856 1
1 1272 . 18 1 1 A 114 114 GLN HA H 114 4.570 4.879 -0.309 1
1 1273 . 18 1 1 A 114 114 GLN CB C 114 30.106 30.982 -0.876 1
1 1280 . 18 1 1 A 114 114 GLN C C 114 176.106 174.421 1.685 1
1 1283 . 18 1 1 A 115 115 THR N N 115 117.345 121.223 -3.878 1
1 1284 . 18 1 1 A 115 115 THR H H 115 8.493 8.846 -0.353 1
1 1285 . 18 1 1 A 115 115 THR CA C 115 62.328 60.246 2.082 1
1 1286 . 18 1 1 A 115 115 THR HA H 115 4.351 4.979 -0.628 1
1 1287 . 18 1 1 A 115 115 THR CB C 115 69.874 71.627 -1.753 1
1 1293 . 18 1 1 A 115 115 THR C C 115 175.158 174.028 1.130 1
1 1294 . 18 1 1 A 116 116 GLY N N 116 111.927 114.236 -2.309 1
1 1295 . 18 1 1 A 116 116 GLY H H 116 8.559 8.477 0.082 1
1 1296 . 18 1 1 A 116 116 GLY CA C 116 45.315 45.689 -0.374 1
1 1297 . 18 1 1 A 116 116 GLY HA3 H 116 3.934 4.199 -0.265 1
1 1298 . 18 1 1 A 116 116 GLY C C 116 173.820 173.773 0.047 1
1 1299 . 18 1 1 A 116 116 GLY HA2 H 116 4.030 4.198 -0.168 1
1 1300 . 18 1 1 A 117 117 ASP N N 117 120.643 117.049 3.594 1
1 1301 . 18 1 1 A 117 117 ASP H H 117 8.208 8.157 0.051 1
1 1302 . 18 1 1 A 117 117 ASP CA C 117 54.393 54.907 -0.514 1
1 1303 . 18 1 1 A 117 117 ASP HA H 117 4.615 4.335 0.280 1
1 1304 . 18 1 1 A 117 117 ASP CB C 117 41.388 38.568 2.820 1
1 1306 . 18 1 1 A 117 117 ASP C C 117 175.973 176.071 -0.098 1
1 1308 . 18 1 1 A 118 118 ALA N N 118 124.934 121.663 3.271 1
1 1309 . 18 1 1 A 118 118 ALA H H 118 8.312 8.113 0.199 1
1 1310 . 18 1 1 A 118 118 ALA CA C 118 52.447 54.166 -1.719 1
1 1311 . 18 1 1 A 118 118 ALA HA H 118 4.415 4.377 0.038 1
1 1312 . 18 1 1 A 118 118 ALA CB C 118 19.339 19.597 -0.258 1
1 1316 . 18 1 1 A 118 118 ALA C C 118 176.848 176.941 -0.093 1
1 1 . 19 1 1 A 9 9 SER HA H 9 4.733 5.135 -0.402 1
1 2 . 19 1 1 A 10 10 PRO CA C 10 63.335 62.237 1.098 1
1 3 . 19 1 1 A 10 10 PRO HA H 10 4.399 4.613 -0.214 1
1 4 . 19 1 1 A 10 10 PRO CB C 10 31.938 33.216 -1.278 1
1 10 . 19 1 1 A 10 10 PRO C C 10 176.442 175.098 1.344 1
1 14 . 19 1 1 A 11 11 PHE N N 11 119.801 118.955 0.846 1
1 15 . 19 1 1 A 11 11 PHE H H 11 8.036 8.625 -0.589 1
1 16 . 19 1 1 A 11 11 PHE CA C 11 57.505 56.451 1.054 1
1 17 . 19 1 1 A 11 11 PHE HA H 11 4.606 4.993 -0.387 1
1 18 . 19 1 1 A 11 11 PHE CB C 11 39.592 42.577 -2.985 1
1 30 . 19 1 1 A 11 11 PHE C C 11 175.401 174.458 0.943 1
1 32 . 19 1 1 A 12 12 LYS N N 12 123.563 121.836 1.727 1
1 33 . 19 1 1 A 12 12 LYS H H 12 8.112 8.625 -0.513 1
1 34 . 19 1 1 A 12 12 LYS CA C 12 56.175 54.103 2.072 1
1 35 . 19 1 1 A 12 12 LYS HA H 12 4.322 4.926 -0.604 1
1 36 . 19 1 1 A 12 12 LYS CB C 12 33.352 36.750 -3.398 1
1 44 . 19 1 1 A 12 12 LYS C C 12 175.802 176.309 -0.507 1
1 49 . 19 1 1 A 13 13 VAL N N 13 122.071 120.084 1.987 1
1 50 . 19 1 1 A 13 13 VAL H H 13 8.080 8.775 -0.695 1
1 51 . 19 1 1 A 13 13 VAL CA C 13 62.280 63.480 -1.200 1
1 52 . 19 1 1 A 13 13 VAL HA H 13 4.036 3.949 0.087 1
1 53 . 19 1 1 A 13 13 VAL CB C 13 32.895 32.115 0.780 1
1 63 . 19 1 1 A 13 13 VAL C C 13 175.814 176.101 -0.287 1
1 64 . 19 1 1 A 14 14 LYS N N 14 125.874 127.946 -2.072 1
1 65 . 19 1 1 A 14 14 LYS H H 14 8.392 8.576 -0.184 1
1 66 . 19 1 1 A 14 14 LYS CA C 14 56.250 55.971 0.279 1
1 67 . 19 1 1 A 14 14 LYS HA H 14 4.322 4.493 -0.171 1
1 68 . 19 1 1 A 14 14 LYS CB C 14 33.193 31.274 1.919 1
1 73 . 19 1 1 A 14 14 LYS C C 14 175.973 175.759 0.214 1
1 75 . 19 1 1 A 15 15 VAL N N 15 123.129 117.784 5.345 1
1 76 . 19 1 1 A 15 15 VAL H H 15 8.204 8.399 -0.195 1
1 77 . 19 1 1 A 15 15 VAL CA C 15 62.033 58.509 3.524 1
1 78 . 19 1 1 A 15 15 VAL HA H 15 4.100 4.890 -0.790 1
1 79 . 19 1 1 A 15 15 VAL CB C 15 32.858 35.265 -2.407 1
1 89 . 19 1 1 A 15 15 VAL C C 15 175.717 175.171 0.546 1
1 90 . 19 1 1 A 16 16 LEU N N 16 127.971 124.436 3.535 1
1 91 . 19 1 1 A 16 16 LEU H H 16 8.378 8.409 -0.031 1
1 92 . 19 1 1 A 16 16 LEU CA C 16 52.885 54.079 -1.194 1
1 93 . 19 1 1 A 16 16 LEU HA H 16 4.624 4.236 0.388 1
1 94 . 19 1 1 A 16 16 LEU CB C 16 41.706 41.688 0.018 1
1 106 . 19 1 1 A 16 16 LEU C C 16 175.092 174.896 0.196 1
1 108 . 19 1 1 A 17 17 PRO CA C 17 62.704 62.392 0.312 1
1 109 . 19 1 1 A 17 17 PRO HA H 17 4.556 4.619 -0.063 1
1 110 . 19 1 1 A 17 17 PRO CB C 17 32.293 32.600 -0.307 1
1 116 . 19 1 1 A 17 17 PRO C C 17 177.319 176.848 0.471 1
1 120 . 19 1 1 A 18 18 THR N N 18 112.726 113.976 -1.250 1
1 121 . 19 1 1 A 18 18 THR H H 18 8.497 8.715 -0.218 1
1 122 . 19 1 1 A 18 18 THR CA C 18 62.335 64.338 -2.003 1
1 123 . 19 1 1 A 18 18 THR HA H 18 4.352 4.263 0.089 1
1 124 . 19 1 1 A 18 18 THR CB C 18 69.700 69.151 0.549 1
1 130 . 19 1 1 A 18 18 THR C C 18 173.418 174.924 -1.506 1
1 131 . 19 1 1 A 19 19 TYR N N 19 118.883 119.934 -1.051 1
1 132 . 19 1 1 A 19 19 TYR H H 19 7.244 7.703 -0.459 1
1 133 . 19 1 1 A 19 19 TYR CA C 19 55.270 57.860 -2.590 1
1 134 . 19 1 1 A 19 19 TYR HA H 19 5.404 4.589 0.815 1
1 135 . 19 1 1 A 19 19 TYR CB C 19 40.974 39.877 1.097 1
1 145 . 19 1 1 A 19 19 TYR C C 19 174.318 174.922 -0.604 1
1 147 . 19 1 1 A 20 20 ASP N N 20 118.193 119.590 -1.397 1
1 148 . 19 1 1 A 20 20 ASP H H 20 8.686 8.604 0.082 1
1 149 . 19 1 1 A 20 20 ASP CA C 20 53.226 53.261 -0.035 1
1 150 . 19 1 1 A 20 20 ASP HA H 20 4.539 5.055 -0.516 1
1 151 . 19 1 1 A 20 20 ASP CB C 20 41.490 44.164 -2.674 1
1 153 . 19 1 1 A 20 20 ASP C C 20 176.349 176.036 0.313 1
1 155 . 19 1 1 A 21 21 ALA N N 21 127.255 127.434 -0.179 1
1 156 . 19 1 1 A 21 21 ALA H H 21 9.404 9.134 0.270 1
1 157 . 19 1 1 A 21 21 ALA CA C 21 55.157 55.417 -0.260 1
1 158 . 19 1 1 A 21 21 ALA HA H 21 4.204 4.095 0.109 1
1 159 . 19 1 1 A 21 21 ALA CB C 21 19.890 18.278 1.612 1
1 163 . 19 1 1 A 21 21 ALA C C 21 178.113 179.886 -1.773 1
1 164 . 19 1 1 A 22 22 SER N N 22 110.959 112.891 -1.932 1
1 165 . 19 1 1 A 22 22 SER H H 22 8.397 8.256 0.141 1
1 166 . 19 1 1 A 22 22 SER CA C 22 60.794 61.425 -0.631 1
1 167 . 19 1 1 A 22 22 SER HA H 22 4.363 4.260 0.103 1
1 168 . 19 1 1 A 22 22 SER CB C 22 62.850 62.665 0.185 1
1 170 . 19 1 1 A 22 22 SER C C 22 175.425 175.938 -0.513 1
1 172 . 19 1 1 A 23 23 LYS N N 23 119.671 118.517 1.154 1
1 173 . 19 1 1 A 23 23 LYS H H 23 7.366 7.481 -0.115 1
1 174 . 19 1 1 A 23 23 LYS CA C 23 54.818 55.869 -1.051 1
1 175 . 19 1 1 A 23 23 LYS HA H 23 4.368 4.430 -0.062 1
1 176 . 19 1 1 A 23 23 LYS CB C 23 33.063 32.469 0.594 1
1 184 . 19 1 1 A 23 23 LYS C C 23 176.544 174.841 1.703 1
1 189 . 19 1 1 A 24 24 VAL N N 24 123.377 120.290 3.087 1
1 190 . 19 1 1 A 24 24 VAL H H 24 7.392 7.686 -0.294 1
1 191 . 19 1 1 A 24 24 VAL CA C 24 62.722 61.286 1.436 1
1 192 . 19 1 1 A 24 24 VAL HA H 24 4.184 4.550 -0.366 1
1 193 . 19 1 1 A 24 24 VAL CB C 24 31.780 33.723 -1.943 1
1 203 . 19 1 1 A 24 24 VAL C C 24 175.644 175.195 0.449 1
1 204 . 19 1 1 A 25 25 THR N N 25 117.441 117.459 -0.018 1
1 205 . 19 1 1 A 25 25 THR H H 25 8.384 8.849 -0.465 1
1 206 . 19 1 1 A 25 25 THR CA C 25 59.858 59.727 0.131 1
1 207 . 19 1 1 A 25 25 THR HA H 25 4.784 5.302 -0.518 1
1 208 . 19 1 1 A 25 25 THR CB C 25 71.687 72.518 -0.831 1
1 214 . 19 1 1 A 25 25 THR C C 25 172.360 173.052 -0.692 1
1 215 . 19 1 1 A 26 26 ALA N N 26 123.956 123.858 0.098 1
1 216 . 19 1 1 A 26 26 ALA H H 26 8.440 8.698 -0.258 1
1 217 . 19 1 1 A 26 26 ALA CA C 26 51.022 50.970 0.052 1
1 218 . 19 1 1 A 26 26 ALA HA H 26 5.575 5.418 0.157 1
1 219 . 19 1 1 A 26 26 ALA CB C 26 22.576 23.395 -0.819 1
1 223 . 19 1 1 A 26 26 ALA C C 26 176.301 175.373 0.928 1
1 224 . 19 1 1 A 27 27 SER N N 27 114.430 115.079 -0.649 1
1 225 . 19 1 1 A 27 27 SER H H 27 9.021 8.559 0.462 1
1 226 . 19 1 1 A 27 27 SER CA C 27 57.771 57.521 0.250 1
1 227 . 19 1 1 A 27 27 SER HA H 27 4.745 5.447 -0.702 1
1 228 . 19 1 1 A 27 27 SER CB C 27 65.911 67.126 -1.215 1
1 230 . 19 1 1 A 27 27 SER C C 27 172.798 173.255 -0.457 1
1 232 . 19 1 1 A 28 28 GLY N N 28 108.618 110.133 -1.515 1
1 233 . 19 1 1 A 28 28 GLY H H 28 8.516 8.361 0.155 1
1 234 . 19 1 1 A 28 28 GLY CA C 28 44.966 44.687 0.279 1
1 235 . 19 1 1 A 28 28 GLY HA3 H 28 4.102 4.306 -0.204 1
1 236 . 19 1 1 A 28 28 GLY C C 28 173.392 174.316 -0.924 1
1 237 . 19 1 1 A 28 28 GLY HA2 H 28 5.026 4.267 0.759 1
1 238 . 19 1 1 A 29 29 PRO CA C 29 65.446 65.039 0.407 1
1 239 . 19 1 1 A 29 29 PRO HA H 29 4.399 4.430 -0.031 1
1 240 . 19 1 1 A 29 29 PRO CB C 29 31.739 32.074 -0.335 1
1 246 . 19 1 1 A 29 29 PRO C C 29 179.804 178.621 1.183 1
1 250 . 19 1 1 A 30 30 GLY N N 30 103.199 106.114 -2.915 1
1 251 . 19 1 1 A 30 30 GLY H H 30 9.156 8.559 0.597 1
1 252 . 19 1 1 A 30 30 GLY CA C 30 46.458 47.145 -0.687 1
1 253 . 19 1 1 A 30 30 GLY HA3 H 30 3.331 4.393 -1.062 1
1 254 . 19 1 1 A 30 30 GLY C C 30 171.694 174.750 -3.056 1
1 255 . 19 1 1 A 30 30 GLY HA2 H 30 4.062 4.251 -0.189 1
1 256 . 19 1 1 A 31 31 LEU N N 31 116.112 119.622 -3.510 1
1 257 . 19 1 1 A 31 31 LEU H H 31 7.351 7.688 -0.337 1
1 258 . 19 1 1 A 31 31 LEU CA C 31 52.607 54.163 -1.556 1
1 259 . 19 1 1 A 31 31 LEU HA H 31 4.269 4.530 -0.261 1
1 260 . 19 1 1 A 31 31 LEU CB C 31 41.265 41.569 -0.304 1
1 272 . 19 1 1 A 31 31 LEU C C 31 176.751 176.226 0.525 1
1 274 . 19 1 1 A 32 32 SER N N 32 114.056 117.744 -3.688 1
1 275 . 19 1 1 A 32 32 SER H H 32 6.986 7.877 -0.891 1
1 276 . 19 1 1 A 32 32 SER CA C 32 58.750 58.409 0.341 1
1 277 . 19 1 1 A 32 32 SER HA H 32 4.268 4.377 -0.109 1
1 278 . 19 1 1 A 32 32 SER CB C 32 64.571 64.235 0.336 1
1 280 . 19 1 1 A 32 32 SER C C 32 176.483 175.654 0.829 1
1 282 . 19 1 1 A 33 33 SER N N 33 123.249 123.670 -0.421 1
1 283 . 19 1 1 A 33 33 SER H H 33 8.887 9.059 -0.172 1
1 284 . 19 1 1 A 33 33 SER CA C 33 60.176 61.312 -1.136 1
1 285 . 19 1 1 A 33 33 SER HA H 33 4.409 4.106 0.303 1
1 286 . 19 1 1 A 33 33 SER CB C 33 63.098 62.312 0.786 1
1 288 . 19 1 1 A 33 33 SER C C 33 174.922 175.962 -1.040 1
1 290 . 19 1 1 A 34 34 TYR N N 34 120.641 119.765 0.876 1
1 291 . 19 1 1 A 34 34 TYR H H 34 8.225 7.991 0.234 1
1 292 . 19 1 1 A 34 34 TYR CA C 34 58.266 60.256 -1.990 1
1 293 . 19 1 1 A 34 34 TYR HA H 34 4.622 4.344 0.278 1
1 294 . 19 1 1 A 34 34 TYR CB C 34 38.478 38.659 -0.181 1
1 304 . 19 1 1 A 34 34 TYR C C 34 175.881 176.099 -0.218 1
1 306 . 19 1 1 A 35 35 GLY N N 35 109.142 105.480 3.662 1
1 307 . 19 1 1 A 35 35 GLY H H 35 7.416 7.126 0.290 1
1 308 . 19 1 1 A 35 35 GLY CA C 35 44.524 44.832 -0.308 1
1 309 . 19 1 1 A 35 35 GLY HA3 H 35 4.411 4.120 0.291 1
1 310 . 19 1 1 A 35 35 GLY C C 35 172.956 172.074 0.882 1
1 311 . 19 1 1 A 35 35 GLY HA2 H 35 4.324 4.115 0.209 1
1 312 . 19 1 1 A 36 36 VAL N N 36 116.841 116.327 0.514 1
1 313 . 19 1 1 A 36 36 VAL H H 36 8.617 8.716 -0.099 1
1 314 . 19 1 1 A 36 36 VAL CA C 36 57.700 58.100 -0.400 1
1 315 . 19 1 1 A 36 36 VAL HA H 36 4.880 4.962 -0.082 1
1 316 . 19 1 1 A 36 36 VAL CB C 36 33.474 34.128 -0.654 1
1 326 . 19 1 1 A 36 36 VAL C C 36 173.489 173.461 0.028 1
1 327 . 19 1 1 A 37 37 PRO CA C 37 62.200 62.372 -0.172 1
1 328 . 19 1 1 A 37 37 PRO HA H 37 4.646 4.732 -0.086 1
1 329 . 19 1 1 A 37 37 PRO CB C 37 31.876 31.756 0.120 1
1 335 . 19 1 1 A 37 37 PRO C C 37 177.148 176.936 0.212 1
1 339 . 19 1 1 A 38 38 ALA N N 38 124.330 124.876 -0.546 1
1 340 . 19 1 1 A 38 38 ALA H H 38 8.591 8.149 0.442 1
1 341 . 19 1 1 A 38 38 ALA CA C 38 52.606 52.650 -0.044 1
1 342 . 19 1 1 A 38 38 ALA HA H 38 4.189 4.176 0.013 1
1 343 . 19 1 1 A 38 38 ALA CB C 38 18.928 19.575 -0.647 1
1 347 . 19 1 1 A 38 38 ALA C C 38 178.418 178.316 0.102 1
1 348 . 19 1 1 A 39 39 SER N N 39 109.435 115.850 -6.415 1
1 349 . 19 1 1 A 39 39 SER H H 39 8.687 9.063 -0.376 1
1 350 . 19 1 1 A 39 39 SER CA C 39 61.147 59.139 2.008 1
1 351 . 19 1 1 A 39 39 SER HA H 39 3.770 4.055 -0.285 1
1 352 . 19 1 1 A 39 39 SER CB C 39 62.322 62.014 0.308 1
1 354 . 19 1 1 A 39 39 SER C C 39 172.372 173.249 -0.877 1
1 356 . 19 1 1 A 40 40 LEU N N 40 121.668 120.728 0.940 1
1 357 . 19 1 1 A 40 40 LEU H H 40 6.981 7.714 -0.733 1
1 358 . 19 1 1 A 40 40 LEU CA C 40 51.707 50.966 0.741 1
1 359 . 19 1 1 A 40 40 LEU HA H 40 4.890 4.641 0.249 1
1 360 . 19 1 1 A 40 40 LEU CB C 40 43.441 45.511 -2.070 1
1 372 . 19 1 1 A 40 40 LEU C C 40 173.635 174.169 -0.534 1
1 374 . 19 1 1 A 41 41 PRO CA C 41 62.683 62.328 0.355 1
1 375 . 19 1 1 A 41 41 PRO HA H 41 4.490 4.637 -0.147 1
1 376 . 19 1 1 A 41 41 PRO CB C 41 31.415 30.772 0.643 1
1 382 . 19 1 1 A 41 41 PRO C C 41 175.540 175.226 0.314 1
1 386 . 19 1 1 A 42 42 VAL N N 42 124.505 122.564 1.941 1
1 387 . 19 1 1 A 42 42 VAL H H 42 8.917 7.688 1.229 1
1 388 . 19 1 1 A 42 42 VAL CA C 42 60.282 59.616 0.666 1
1 389 . 19 1 1 A 42 42 VAL HA H 42 4.408 4.673 -0.265 1
1 390 . 19 1 1 A 42 42 VAL CB C 42 34.522 34.843 -0.321 1
1 400 . 19 1 1 A 42 42 VAL C C 42 171.180 174.304 -3.124 1
1 401 . 19 1 1 A 43 43 ASP N N 43 121.538 125.059 -3.521 1
1 402 . 19 1 1 A 43 43 ASP H H 43 7.549 9.093 -1.544 1
1 403 . 19 1 1 A 43 43 ASP CA C 43 51.968 52.520 -0.552 1
1 404 . 19 1 1 A 43 43 ASP HA H 43 6.324 5.727 0.597 1
1 405 . 19 1 1 A 43 43 ASP CB C 43 44.949 45.220 -0.271 1
1 407 . 19 1 1 A 43 43 ASP C C 43 177.711 174.454 3.257 1
1 409 . 19 1 1 A 44 44 PHE N N 44 112.517 116.512 -3.995 1
1 410 . 19 1 1 A 44 44 PHE H H 44 9.044 7.900 1.144 1
1 411 . 19 1 1 A 44 44 PHE CA C 44 57.658 55.109 2.549 1
1 412 . 19 1 1 A 44 44 PHE HA H 44 5.069 5.518 -0.449 1
1 413 . 19 1 1 A 44 44 PHE CB C 44 41.220 41.631 -0.411 1
1 425 . 19 1 1 A 44 44 PHE C C 44 171.679 172.784 -1.105 1
1 427 . 19 1 1 A 45 45 ALA N N 45 123.935 121.066 2.869 1
1 428 . 19 1 1 A 45 45 ALA H H 45 9.468 8.794 0.674 1
1 429 . 19 1 1 A 45 45 ALA CA C 45 50.855 50.504 0.351 1
1 430 . 19 1 1 A 45 45 ALA HA H 45 5.379 5.352 0.027 1
1 431 . 19 1 1 A 45 45 ALA CB C 45 22.496 22.180 0.316 1
1 435 . 19 1 1 A 45 45 ALA C C 45 176.715 175.840 0.875 1
1 436 . 19 1 1 A 46 46 ILE N N 46 119.530 123.388 -3.858 1
1 437 . 19 1 1 A 46 46 ILE H H 46 8.686 9.360 -0.674 1
1 438 . 19 1 1 A 46 46 ILE CA C 46 59.561 60.682 -1.121 1
1 439 . 19 1 1 A 46 46 ILE HA H 46 4.863 4.849 0.014 1
1 440 . 19 1 1 A 46 46 ILE CB C 46 41.370 37.822 3.548 1
1 452 . 19 1 1 A 46 46 ILE C C 46 174.379 174.091 0.288 1
1 454 . 19 1 1 A 47 47 ASP N N 47 127.143 129.276 -2.133 1
1 455 . 19 1 1 A 47 47 ASP H H 47 9.281 8.739 0.542 1
1 456 . 19 1 1 A 47 47 ASP CA C 47 53.297 53.303 -0.006 1
1 457 . 19 1 1 A 47 47 ASP HA H 47 4.976 4.964 0.012 1
1 458 . 19 1 1 A 47 47 ASP CB C 47 41.371 41.540 -0.169 1
1 460 . 19 1 1 A 47 47 ASP C C 47 174.962 174.948 0.014 1
1 462 . 19 1 1 A 48 48 ALA N N 48 129.371 129.649 -0.278 1
1 463 . 19 1 1 A 48 48 ALA H H 48 9.078 8.531 0.547 1
1 464 . 19 1 1 A 48 48 ALA CA C 48 50.554 50.768 -0.214 1
1 465 . 19 1 1 A 48 48 ALA HA H 48 4.641 4.945 -0.304 1
1 466 . 19 1 1 A 48 48 ALA CB C 48 19.699 20.681 -0.982 1
1 470 . 19 1 1 A 48 48 ALA C C 48 179.317 176.530 2.787 1
1 471 . 19 1 1 A 49 49 ARG N N 49 122.060 124.627 -2.567 1
1 472 . 19 1 1 A 49 49 ARG H H 49 8.590 8.908 -0.318 1
1 473 . 19 1 1 A 49 49 ARG CA C 49 60.964 57.624 3.340 1
1 474 . 19 1 1 A 49 49 ARG HA H 49 3.987 4.491 -0.504 1
1 475 . 19 1 1 A 49 49 ARG CB C 49 30.654 31.278 -0.624 1
1 483 . 19 1 1 A 49 49 ARG C C 49 178.077 176.457 1.620 1
1 487 . 19 1 1 A 50 50 ASP N N 50 116.664 117.403 -0.739 1
1 488 . 19 1 1 A 50 50 ASP H H 50 8.794 7.897 0.897 1
1 489 . 19 1 1 A 50 50 ASP CA C 50 53.827 53.038 0.789 1
1 490 . 19 1 1 A 50 50 ASP HA H 50 5.040 4.870 0.170 1
1 491 . 19 1 1 A 50 50 ASP CB C 50 41.595 41.569 0.026 1
1 493 . 19 1 1 A 50 50 ASP C C 50 175.754 177.123 -1.369 1
1 495 . 19 1 1 A 51 51 ALA N N 51 121.173 123.216 -2.043 1
1 496 . 19 1 1 A 51 51 ALA H H 51 7.406 7.757 -0.351 1
1 497 . 19 1 1 A 51 51 ALA CA C 51 52.147 51.621 0.526 1
1 498 . 19 1 1 A 51 51 ALA HA H 51 4.414 4.389 0.025 1
1 499 . 19 1 1 A 51 51 ALA CB C 51 23.427 18.822 4.605 1
1 503 . 19 1 1 A 51 51 ALA C C 51 176.763 177.731 -0.968 1
1 504 . 19 1 1 A 52 52 GLY N N 52 108.187 107.025 1.162 1
1 505 . 19 1 1 A 52 52 GLY H H 52 8.521 8.096 0.425 1
1 506 . 19 1 1 A 52 52 GLY CA C 52 45.210 47.319 -2.109 1
1 507 . 19 1 1 A 52 52 GLY HA3 H 52 3.859 3.920 -0.061 1
1 508 . 19 1 1 A 52 52 GLY C C 52 175.060 173.579 1.481 1
1 509 . 19 1 1 A 52 52 GLY HA2 H 52 4.492 3.879 0.613 1
1 510 . 19 1 1 A 53 53 GLU N N 53 124.810 123.891 0.919 1
1 511 . 19 1 1 A 53 53 GLU H H 53 8.643 8.829 -0.186 1
1 512 . 19 1 1 A 53 53 GLU CA C 53 56.352 55.349 1.003 1
1 513 . 19 1 1 A 53 53 GLU HA H 53 4.663 5.229 -0.566 1
1 514 . 19 1 1 A 53 53 GLU CB C 53 31.164 32.779 -1.615 1
1 518 . 19 1 1 A 53 53 GLU C C 53 173.491 175.521 -2.030 1
1 521 . 19 1 1 A 54 54 GLY N N 54 111.417 111.604 -0.187 1
1 522 . 19 1 1 A 54 54 GLY H H 54 7.465 8.729 -1.264 1
1 523 . 19 1 1 A 54 54 GLY CA C 54 43.622 44.222 -0.600 1
1 524 . 19 1 1 A 54 54 GLY HA3 H 54 2.287 4.177 -1.890 1
1 525 . 19 1 1 A 54 54 GLY C C 54 170.013 171.611 -1.598 1
1 526 . 19 1 1 A 54 54 GLY HA2 H 54 3.819 3.950 -0.131 1
1 527 . 19 1 1 A 55 55 LEU N N 55 117.446 122.729 -5.283 1
1 528 . 19 1 1 A 55 55 LEU H H 55 7.461 7.946 -0.485 1
1 529 . 19 1 1 A 55 55 LEU CA C 55 54.041 54.400 -0.359 1
1 530 . 19 1 1 A 55 55 LEU HA H 55 4.293 4.202 0.091 1
1 531 . 19 1 1 A 55 55 LEU CB C 55 42.832 42.515 0.317 1
1 543 . 19 1 1 A 55 55 LEU C C 55 176.872 175.529 1.343 1
1 545 . 19 1 1 A 56 56 LEU N N 56 131.840 128.367 3.473 1
1 546 . 19 1 1 A 56 56 LEU H H 56 8.791 8.371 0.420 1
1 547 . 19 1 1 A 56 56 LEU CA C 56 53.807 54.565 -0.758 1
1 548 . 19 1 1 A 56 56 LEU HA H 56 5.053 4.593 0.460 1
1 549 . 19 1 1 A 56 56 LEU CB C 56 43.113 43.364 -0.251 1
1 561 . 19 1 1 A 56 56 LEU C C 56 175.389 175.405 -0.016 1
1 563 . 19 1 1 A 57 57 ALA N N 57 130.035 128.097 1.938 1
1 564 . 19 1 1 A 57 57 ALA H H 57 8.880 8.396 0.484 1
1 565 . 19 1 1 A 57 57 ALA CA C 57 51.758 50.341 1.417 1
1 566 . 19 1 1 A 57 57 ALA HA H 57 4.641 5.193 -0.552 1
1 567 . 19 1 1 A 57 57 ALA CB C 57 21.820 23.386 -1.566 1
1 571 . 19 1 1 A 57 57 ALA C C 57 174.647 175.806 -1.159 1
1 572 . 19 1 1 A 58 58 VAL N N 58 120.958 120.298 0.660 1
1 573 . 19 1 1 A 58 58 VAL H H 58 8.443 8.835 -0.392 1
1 574 . 19 1 1 A 58 58 VAL CA C 58 60.495 61.326 -0.831 1
1 575 . 19 1 1 A 58 58 VAL HA H 58 4.988 4.865 0.123 1
1 576 . 19 1 1 A 58 58 VAL CB C 58 34.639 34.242 0.397 1
1 586 . 19 1 1 A 58 58 VAL C C 58 174.646 174.256 0.390 1
1 587 . 19 1 1 A 59 59 GLN N N 59 127.048 128.126 -1.078 1
1 588 . 19 1 1 A 59 59 GLN H H 59 9.196 9.112 0.084 1
1 589 . 19 1 1 A 59 59 GLN CA C 59 54.587 54.550 0.037 1
1 590 . 19 1 1 A 59 59 GLN HA H 59 4.706 4.931 -0.225 1
1 591 . 19 1 1 A 59 59 GLN CB C 59 31.580 30.636 0.944 1
1 598 . 19 1 1 A 59 59 GLN C C 59 174.197 174.310 -0.113 1
1 601 . 19 1 1 A 60 60 ILE N N 60 127.617 127.899 -0.282 1
1 602 . 19 1 1 A 60 60 ILE H H 60 9.299 8.964 0.335 1
1 603 . 19 1 1 A 60 60 ILE CA C 60 60.506 60.026 0.480 1
1 604 . 19 1 1 A 60 60 ILE HA H 60 5.210 4.994 0.216 1
1 605 . 19 1 1 A 60 60 ILE CB C 60 39.172 39.990 -0.818 1
1 617 . 19 1 1 A 60 60 ILE C C 60 175.608 174.940 0.668 1
1 619 . 19 1 1 A 61 61 THR N N 61 119.733 117.633 2.100 1
1 620 . 19 1 1 A 61 61 THR H H 61 8.924 8.758 0.166 1
1 621 . 19 1 1 A 61 61 THR CA C 61 59.565 59.491 0.074 1
1 622 . 19 1 1 A 61 61 THR HA H 61 5.173 5.665 -0.492 1
1 623 . 19 1 1 A 61 61 THR CB C 61 72.121 72.566 -0.445 1
1 629 . 19 1 1 A 61 61 THR C C 61 174.051 173.308 0.743 1
1 630 . 19 1 1 A 62 62 ASP N N 62 122.337 120.274 2.063 1
1 631 . 19 1 1 A 62 62 ASP H H 62 8.484 8.394 0.090 1
1 632 . 19 1 1 A 62 62 ASP CA C 62 52.200 51.469 0.731 1
1 633 . 19 1 1 A 62 62 ASP HA H 62 4.425 4.721 -0.296 1
1 634 . 19 1 1 A 62 62 ASP CB C 62 42.222 42.404 -0.182 1
1 636 . 19 1 1 A 62 62 ASP C C 62 179.086 177.756 1.330 1
1 638 . 19 1 1 A 63 63 GLN N N 63 118.341 117.611 0.730 1
1 639 . 19 1 1 A 63 63 GLN H H 63 8.250 8.754 -0.504 1
1 640 . 19 1 1 A 63 63 GLN CA C 63 58.406 58.479 -0.073 1
1 641 . 19 1 1 A 63 63 GLN HA H 63 4.049 4.064 -0.015 1
1 642 . 19 1 1 A 63 63 GLN CB C 63 28.127 27.796 0.331 1
1 649 . 19 1 1 A 63 63 GLN C C 63 177.152 178.062 -0.910 1
1 652 . 19 1 1 A 64 64 GLU N N 64 119.134 118.846 0.288 1
1 653 . 19 1 1 A 64 64 GLU H H 64 8.120 7.743 0.377 1
1 654 . 19 1 1 A 64 64 GLU CA C 64 55.790 57.020 -1.230 1
1 655 . 19 1 1 A 64 64 GLU HA H 64 4.423 4.366 0.057 1
1 656 . 19 1 1 A 64 64 GLU CB C 64 30.102 30.368 -0.266 1
1 660 . 19 1 1 A 64 64 GLU C C 64 176.374 176.648 -0.274 1
1 663 . 19 1 1 A 65 65 GLY N N 65 108.728 108.099 0.629 1
1 664 . 19 1 1 A 65 65 GLY H H 65 8.306 7.936 0.370 1
1 665 . 19 1 1 A 65 65 GLY CA C 65 45.285 45.883 -0.598 1
1 666 . 19 1 1 A 65 65 GLY HA3 H 65 3.561 3.946 -0.385 1
1 667 . 19 1 1 A 65 65 GLY C C 65 174.342 174.305 0.037 1
1 668 . 19 1 1 A 65 65 GLY HA2 H 65 4.203 3.943 0.260 1
1 669 . 19 1 1 A 66 66 LYS N N 66 123.502 119.711 3.791 1
1 670 . 19 1 1 A 66 66 LYS H H 66 8.528 7.838 0.690 1
1 671 . 19 1 1 A 66 66 LYS CA C 66 53.738 53.168 0.570 1
1 672 . 19 1 1 A 66 66 LYS HA H 66 4.613 4.766 -0.153 1
1 673 . 19 1 1 A 66 66 LYS CB C 66 31.167 32.529 -1.362 1
1 681 . 19 1 1 A 66 66 LYS C C 66 174.752 174.227 0.525 1
1 686 . 19 1 1 A 67 67 PRO CA C 67 62.433 62.707 -0.274 1
1 687 . 19 1 1 A 67 67 PRO HA H 67 5.062 4.723 0.339 1
1 688 . 19 1 1 A 67 67 PRO CB C 67 32.725 32.066 0.659 1
1 694 . 19 1 1 A 67 67 PRO C C 67 177.270 176.096 1.174 1
1 698 . 19 1 1 A 68 68 LYS N N 68 121.461 121.383 0.078 1
1 699 . 19 1 1 A 68 68 LYS H H 68 8.419 8.048 0.371 1
1 700 . 19 1 1 A 68 68 LYS CA C 68 52.023 54.654 -2.631 1
1 701 . 19 1 1 A 68 68 LYS HA H 68 4.797 4.924 -0.127 1
1 702 . 19 1 1 A 68 68 LYS CB C 68 32.611 35.579 -2.968 1
1 710 . 19 1 1 A 68 68 LYS C C 68 175.389 175.076 0.313 1
1 715 . 19 1 1 A 69 69 ARG N N 69 124.040 122.815 1.225 1
1 716 . 19 1 1 A 69 69 ARG H H 69 8.683 8.596 0.087 1
1 717 . 19 1 1 A 69 69 ARG CA C 69 57.045 56.610 0.435 1
1 718 . 19 1 1 A 69 69 ARG HA H 69 4.221 4.632 -0.411 1
1 719 . 19 1 1 A 69 69 ARG CB C 69 30.712 30.766 -0.054 1
1 725 . 19 1 1 A 69 69 ARG C C 69 174.877 175.421 -0.544 1
1 729 . 19 1 1 A 70 70 ALA N N 70 127.074 126.525 0.549 1
1 730 . 19 1 1 A 70 70 ALA H H 70 8.421 8.571 -0.150 1
1 731 . 19 1 1 A 70 70 ALA CA C 70 50.360 50.738 -0.378 1
1 732 . 19 1 1 A 70 70 ALA HA H 70 4.859 5.149 -0.290 1
1 733 . 19 1 1 A 70 70 ALA CB C 70 20.569 23.059 -2.490 1
1 737 . 19 1 1 A 70 70 ALA C C 70 176.313 175.592 0.721 1
1 738 . 19 1 1 A 71 71 ILE N N 71 124.496 121.190 3.306 1
1 739 . 19 1 1 A 71 71 ILE H H 71 8.943 8.645 0.298 1
1 740 . 19 1 1 A 71 71 ILE CA C 71 60.870 60.162 0.708 1
1 741 . 19 1 1 A 71 71 ILE HA H 71 4.195 4.740 -0.545 1
1 742 . 19 1 1 A 71 71 ILE CB C 71 38.457 38.688 -0.231 1
1 754 . 19 1 1 A 71 71 ILE C C 71 175.027 175.159 -0.132 1
1 756 . 19 1 1 A 72 72 VAL N N 72 128.410 128.072 0.338 1
1 757 . 19 1 1 A 72 72 VAL H H 72 8.714 8.926 -0.212 1
1 758 . 19 1 1 A 72 72 VAL CA C 72 61.867 59.689 2.178 1
1 759 . 19 1 1 A 72 72 VAL HA H 72 4.478 4.961 -0.483 1
1 760 . 19 1 1 A 72 72 VAL CB C 72 32.745 34.174 -1.429 1
1 770 . 19 1 1 A 72 72 VAL C C 72 175.279 173.537 1.742 1
1 771 . 19 1 1 A 73 73 HIS N N 73 129.084 129.978 -0.894 1
1 772 . 19 1 1 A 73 73 HIS H H 73 9.783 9.170 0.613 1
1 773 . 19 1 1 A 73 73 HIS CA C 73 55.366 54.043 1.323 1
1 774 . 19 1 1 A 73 73 HIS HA H 73 4.849 5.254 -0.405 1
1 775 . 19 1 1 A 73 73 HIS CB C 73 31.465 33.185 -1.720 1
1 781 . 19 1 1 A 73 73 HIS C C 73 173.491 173.076 0.415 1
1 783 . 19 1 1 A 74 74 ASP N N 74 127.118 126.230 0.888 1
1 784 . 19 1 1 A 74 74 ASP H H 74 8.541 8.814 -0.273 1
1 785 . 19 1 1 A 74 74 ASP CA C 74 53.048 53.279 -0.231 1
1 786 . 19 1 1 A 74 74 ASP HA H 74 4.476 5.228 -0.752 1
1 787 . 19 1 1 A 74 74 ASP CB C 74 41.554 42.674 -1.120 1
1 789 . 19 1 1 A 74 74 ASP C C 74 175.936 175.770 0.166 1
1 791 . 19 1 1 A 75 75 ASN N N 75 124.002 122.975 1.027 1
1 792 . 19 1 1 A 75 75 ASN H H 75 7.827 8.790 -0.963 1
1 793 . 19 1 1 A 75 75 ASN CA C 75 54.517 53.077 1.440 1
1 794 . 19 1 1 A 75 75 ASN HA H 75 4.572 4.922 -0.350 1
1 795 . 19 1 1 A 75 75 ASN CB C 75 38.091 39.760 -1.669 1
1 800 . 19 1 1 A 75 75 ASN C C 75 175.352 174.810 0.542 1
1 802 . 19 1 1 A 76 76 LYS N N 76 114.689 115.375 -0.686 1
1 803 . 19 1 1 A 76 76 LYS H H 76 9.246 7.679 1.567 1
1 804 . 19 1 1 A 76 76 LYS CA C 76 57.428 57.219 0.209 1
1 805 . 19 1 1 A 76 76 LYS HA H 76 3.882 3.838 0.044 1
1 806 . 19 1 1 A 76 76 LYS CB C 76 28.223 29.108 -0.885 1
1 814 . 19 1 1 A 76 76 LYS C C 76 174.975 176.065 -1.090 1
1 819 . 19 1 1 A 77 77 ASP N N 77 117.462 117.756 -0.294 1
1 820 . 19 1 1 A 77 77 ASP H H 77 7.831 8.458 -0.627 1
1 821 . 19 1 1 A 77 77 ASP CA C 77 52.168 53.056 -0.888 1
1 822 . 19 1 1 A 77 77 ASP HA H 77 4.706 4.815 -0.109 1
1 823 . 19 1 1 A 77 77 ASP CB C 77 41.224 41.568 -0.344 1
1 825 . 19 1 1 A 77 77 ASP C C 77 176.739 176.371 0.368 1
1 827 . 19 1 1 A 78 78 GLY N N 78 109.485 108.275 1.210 1
1 828 . 19 1 1 A 78 78 GLY H H 78 8.658 8.111 0.547 1
1 829 . 19 1 1 A 78 78 GLY CA C 78 45.568 45.235 0.333 1
1 830 . 19 1 1 A 78 78 GLY HA3 H 78 3.698 3.974 -0.276 1
1 831 . 19 1 1 A 78 78 GLY C C 78 172.263 173.712 -1.449 1
1 832 . 19 1 1 A 78 78 GLY HA2 H 78 4.323 3.956 0.367 1
1 833 . 19 1 1 A 79 79 THR N N 79 109.462 111.042 -1.580 1
1 834 . 19 1 1 A 79 79 THR H H 79 8.057 7.503 0.554 1
1 835 . 19 1 1 A 79 79 THR CA C 79 59.989 59.809 0.180 1
1 836 . 19 1 1 A 79 79 THR HA H 79 5.566 5.225 0.341 1
1 837 . 19 1 1 A 79 79 THR CB C 79 72.712 71.823 0.889 1
1 843 . 19 1 1 A 79 79 THR C C 79 173.868 172.717 1.151 1
1 844 . 19 1 1 A 80 80 TYR N N 80 116.428 119.433 -3.005 1
1 845 . 19 1 1 A 80 80 TYR H H 80 9.085 8.921 0.164 1
1 846 . 19 1 1 A 80 80 TYR CA C 80 56.533 56.527 0.006 1
1 847 . 19 1 1 A 80 80 TYR HA H 80 5.372 5.055 0.317 1
1 848 . 19 1 1 A 80 80 TYR CB C 80 42.831 43.078 -0.247 1
1 858 . 19 1 1 A 80 80 TYR C C 80 175.327 174.697 0.630 1
1 860 . 19 1 1 A 81 81 ALA N N 81 126.743 125.013 1.730 1
1 861 . 19 1 1 A 81 81 ALA H H 81 9.302 8.908 0.394 1
1 862 . 19 1 1 A 81 81 ALA CA C 81 51.121 49.775 1.346 1
1 863 . 19 1 1 A 81 81 ALA HA H 81 5.149 5.659 -0.510 1
1 864 . 19 1 1 A 81 81 ALA CB C 81 22.111 22.904 -0.793 1
1 868 . 19 1 1 A 81 81 ALA C C 81 175.505 175.862 -0.357 1
1 869 . 19 1 1 A 82 82 VAL N N 82 124.472 120.071 4.401 1
1 870 . 19 1 1 A 82 82 VAL H H 82 8.940 7.839 1.101 1
1 871 . 19 1 1 A 82 82 VAL CA C 82 60.264 60.960 -0.696 1
1 872 . 19 1 1 A 82 82 VAL HA H 82 5.039 4.584 0.455 1
1 873 . 19 1 1 A 82 82 VAL CB C 82 33.236 34.942 -1.706 1
1 883 . 19 1 1 A 82 82 VAL C C 82 174.517 174.009 0.508 1
1 884 . 19 1 1 A 83 83 THR N N 83 121.500 123.213 -1.713 1
1 885 . 19 1 1 A 83 83 THR H H 83 8.717 8.682 0.035 1
1 886 . 19 1 1 A 83 83 THR CA C 83 61.075 62.256 -1.181 1
1 887 . 19 1 1 A 83 83 THR HA H 83 5.497 5.208 0.289 1
1 888 . 19 1 1 A 83 83 THR CB C 83 72.153 70.876 1.277 1
1 894 . 19 1 1 A 83 83 THR C C 83 173.515 173.640 -0.125 1
1 895 . 19 1 1 A 84 84 TYR N N 84 122.841 121.294 1.547 1
1 896 . 19 1 1 A 84 84 TYR H H 84 9.014 8.873 0.141 1
1 897 . 19 1 1 A 84 84 TYR CA C 84 55.985 55.717 0.268 1
1 898 . 19 1 1 A 84 84 TYR HA H 84 4.979 5.330 -0.351 1
1 899 . 19 1 1 A 84 84 TYR CB C 84 41.967 41.578 0.389 1
1 909 . 19 1 1 A 84 84 TYR C C 84 171.873 172.753 -0.880 1
1 911 . 19 1 1 A 85 85 ILE N N 85 118.254 123.995 -5.741 1
1 912 . 19 1 1 A 85 85 ILE H H 85 8.805 8.885 -0.080 1
1 913 . 19 1 1 A 85 85 ILE CA C 85 57.883 58.031 -0.148 1
1 914 . 19 1 1 A 85 85 ILE HA H 85 4.550 4.572 -0.022 1
1 915 . 19 1 1 A 85 85 ILE CB C 85 40.179 38.415 1.764 1
1 927 . 19 1 1 A 85 85 ILE C C 85 174.339 174.816 -0.477 1
1 929 . 19 1 1 A 86 86 PRO CA C 86 61.414 62.554 -1.140 1
1 930 . 19 1 1 A 86 86 PRO HA H 86 4.436 4.593 -0.157 1
1 931 . 19 1 1 A 86 86 PRO CB C 86 30.107 31.483 -1.376 1
1 937 . 19 1 1 A 86 86 PRO C C 86 175.126 176.344 -1.218 1
1 941 . 19 1 1 A 87 87 ASP N N 87 123.447 121.687 1.760 1
1 942 . 19 1 1 A 87 87 ASP H H 87 8.501 9.029 -0.528 1
1 943 . 19 1 1 A 87 87 ASP CA C 87 55.668 56.991 -1.323 1
1 944 . 19 1 1 A 87 87 ASP HA H 87 4.263 4.836 -0.573 1
1 945 . 19 1 1 A 87 87 ASP CB C 87 40.930 42.343 -1.413 1
1 947 . 19 1 1 A 87 87 ASP C C 87 175.182 177.088 -1.906 1
1 949 . 19 1 1 A 88 88 LYS N N 88 116.947 118.417 -1.470 1
1 950 . 19 1 1 A 88 88 LYS H H 88 7.683 7.923 -0.240 1
1 951 . 19 1 1 A 88 88 LYS CA C 88 54.995 55.877 -0.882 1
1 952 . 19 1 1 A 88 88 LYS HA H 88 4.588 4.406 0.182 1
1 953 . 19 1 1 A 88 88 LYS CB C 88 34.821 32.790 2.031 1
1 961 . 19 1 1 A 88 88 LYS C C 88 177.529 176.359 1.170 1
1 966 . 19 1 1 A 89 89 THR N N 89 114.134 118.866 -4.732 1
1 967 . 19 1 1 A 89 89 THR H H 89 8.588 8.616 -0.028 1
1 968 . 19 1 1 A 89 89 THR CA C 89 62.828 62.197 0.631 1
1 969 . 19 1 1 A 89 89 THR HA H 89 4.083 4.414 -0.331 1
1 970 . 19 1 1 A 89 89 THR CB C 89 69.590 69.876 -0.286 1
1 976 . 19 1 1 A 89 89 THR C C 89 174.269 174.276 -0.007 1
1 977 . 19 1 1 A 90 90 GLY N N 90 109.440 108.321 1.119 1
1 978 . 19 1 1 A 90 90 GLY H H 90 8.444 8.546 -0.102 1
1 979 . 19 1 1 A 90 90 GLY CA C 90 44.648 44.858 -0.210 1
1 980 . 19 1 1 A 90 90 GLY HA3 H 90 4.467 4.181 0.286 1
1 981 . 19 1 1 A 90 90 GLY C C 90 172.469 172.540 -0.071 1
1 982 . 19 1 1 A 90 90 GLY HA2 H 90 3.908 4.113 -0.205 1
1 983 . 19 1 1 A 91 91 ARG N N 91 120.781 121.610 -0.829 1
1 984 . 19 1 1 A 91 91 ARG H H 91 8.271 8.259 0.012 1
1 985 . 19 1 1 A 91 91 ARG CA C 91 56.178 54.789 1.389 1
1 986 . 19 1 1 A 91 91 ARG HA H 91 4.951 5.103 -0.152 1
1 987 . 19 1 1 A 91 91 ARG CB C 91 31.986 32.015 -0.029 1
1 993 . 19 1 1 A 91 91 ARG C C 91 175.711 174.702 1.009 1
1 997 . 19 1 1 A 92 92 TYR N N 92 122.381 122.497 -0.116 1
1 998 . 19 1 1 A 92 92 TYR H H 92 9.312 9.451 -0.139 1
1 999 . 19 1 1 A 92 92 TYR CA C 92 56.886 56.605 0.281 1
1 1000 . 19 1 1 A 92 92 TYR HA H 92 4.960 5.065 -0.105 1
1 1001 . 19 1 1 A 92 92 TYR CB C 92 41.223 40.848 0.375 1
1 1011 . 19 1 1 A 92 92 TYR C C 92 174.902 174.581 0.321 1
1 1013 . 19 1 1 A 93 93 MET N N 93 121.210 124.498 -3.288 1
1 1014 . 19 1 1 A 93 93 MET H H 93 8.819 8.469 0.350 1
1 1015 . 19 1 1 A 93 93 MET CA C 93 53.745 54.008 -0.263 1
1 1016 . 19 1 1 A 93 93 MET HA H 93 5.346 5.393 -0.047 1
1 1017 . 19 1 1 A 93 93 MET CB C 93 34.220 35.022 -0.802 1
1 1025 . 19 1 1 A 93 93 MET C C 93 175.365 174.551 0.814 1
1 1028 . 19 1 1 A 94 94 ILE N N 94 125.747 126.868 -1.121 1
1 1029 . 19 1 1 A 94 94 ILE H H 94 9.372 9.338 0.034 1
1 1030 . 19 1 1 A 94 94 ILE CA C 94 60.685 59.770 0.915 1
1 1031 . 19 1 1 A 94 94 ILE HA H 94 4.606 5.187 -0.581 1
1 1032 . 19 1 1 A 94 94 ILE CB C 94 39.188 39.182 0.006 1
1 1044 . 19 1 1 A 94 94 ILE C C 94 174.987 175.183 -0.196 1
1 1046 . 19 1 1 A 95 95 GLY N N 95 116.553 115.349 1.204 1
1 1047 . 19 1 1 A 95 95 GLY H H 95 9.509 9.476 0.033 1
1 1048 . 19 1 1 A 95 95 GLY CA C 95 44.507 45.123 -0.616 1
1 1049 . 19 1 1 A 95 95 GLY HA3 H 95 3.605 4.237 -0.632 1
1 1050 . 19 1 1 A 95 95 GLY C C 95 173.175 172.224 0.951 1
1 1051 . 19 1 1 A 95 95 GLY HA2 H 95 4.606 4.186 0.420 1
1 1052 . 19 1 1 A 96 96 VAL N N 96 127.036 128.232 -1.196 1
1 1053 . 19 1 1 A 96 96 VAL H H 96 9.299 8.933 0.366 1
1 1054 . 19 1 1 A 96 96 VAL CA C 96 61.308 62.532 -1.224 1
1 1055 . 19 1 1 A 96 96 VAL HA H 96 4.889 4.564 0.325 1
1 1056 . 19 1 1 A 96 96 VAL CB C 96 34.145 33.377 0.768 1
1 1066 . 19 1 1 A 96 96 VAL C C 96 174.354 175.460 -1.106 1
1 1067 . 19 1 1 A 97 97 THR N N 97 115.219 117.712 -2.493 1
1 1068 . 19 1 1 A 97 97 THR H H 97 9.018 8.742 0.276 1
1 1069 . 19 1 1 A 97 97 THR CA C 97 57.826 59.587 -1.761 1
1 1070 . 19 1 1 A 97 97 THR HA H 97 5.265 5.451 -0.186 1
1 1071 . 19 1 1 A 97 97 THR CB C 97 72.753 71.970 0.783 1
1 1077 . 19 1 1 A 97 97 THR C C 97 173.175 172.945 0.230 1
1 1078 . 19 1 1 A 98 98 TYR N N 98 122.768 123.099 -0.331 1
1 1079 . 19 1 1 A 98 98 TYR H H 98 9.149 9.479 -0.330 1
1 1080 . 19 1 1 A 98 98 TYR CA C 98 57.488 57.399 0.089 1
1 1081 . 19 1 1 A 98 98 TYR HA H 98 5.077 4.940 0.137 1
1 1082 . 19 1 1 A 98 98 TYR CB C 98 43.122 41.495 1.627 1
1 1092 . 19 1 1 A 98 98 TYR C C 98 175.949 175.427 0.522 1
1 1094 . 19 1 1 A 99 99 GLY N N 99 113.994 115.105 -1.111 1
1 1095 . 19 1 1 A 99 99 GLY H H 99 8.402 8.916 -0.514 1
1 1096 . 19 1 1 A 99 99 GLY CA C 99 45.010 46.458 -1.448 1
1 1097 . 19 1 1 A 99 99 GLY HA3 H 99 2.623 3.328 -0.705 1
1 1098 . 19 1 1 A 99 99 GLY C C 99 174.197 175.064 -0.867 1
1 1099 . 19 1 1 A 99 99 GLY HA2 H 99 3.220 2.821 0.399 1
1 1100 . 19 1 1 A 100 100 GLY N N 100 103.115 105.980 -2.865 1
1 1101 . 19 1 1 A 100 100 GLY H H 100 8.288 8.587 -0.299 1
1 1102 . 19 1 1 A 100 100 GLY CA C 100 44.170 46.417 -2.247 1
1 1103 . 19 1 1 A 100 100 GLY HA3 H 100 4.265 3.884 0.381 1
1 1104 . 19 1 1 A 100 100 GLY C C 100 173.054 173.349 -0.295 1
1 1105 . 19 1 1 A 100 100 GLY HA2 H 100 3.284 3.879 -0.595 1
1 1106 . 19 1 1 A 101 101 ASP N N 101 120.566 119.560 1.006 1
1 1107 . 19 1 1 A 101 101 ASP H H 101 7.245 7.935 -0.690 1
1 1108 . 19 1 1 A 101 101 ASP CA C 101 52.908 53.212 -0.304 1
1 1109 . 19 1 1 A 101 101 ASP HA H 101 5.012 5.140 -0.128 1
1 1110 . 19 1 1 A 101 101 ASP CB C 101 42.831 44.239 -1.408 1
1 1112 . 19 1 1 A 101 101 ASP C C 101 175.182 174.899 0.283 1
1 1114 . 19 1 1 A 102 102 ASP N N 102 122.668 124.642 -1.974 1
1 1115 . 19 1 1 A 102 102 ASP H H 102 8.597 8.772 -0.175 1
1 1116 . 19 1 1 A 102 102 ASP CA C 102 56.233 54.545 1.688 1
1 1117 . 19 1 1 A 102 102 ASP HA H 102 4.667 4.896 -0.229 1
1 1118 . 19 1 1 A 102 102 ASP CB C 102 42.373 41.370 1.003 1
1 1120 . 19 1 1 A 102 102 ASP C C 102 176.970 176.624 0.346 1
1 1122 . 19 1 1 A 103 103 ILE N N 103 117.672 120.480 -2.808 1
1 1123 . 19 1 1 A 103 103 ILE H H 103 7.887 8.363 -0.476 1
1 1124 . 19 1 1 A 103 103 ILE CA C 103 61.025 59.714 1.311 1
1 1125 . 19 1 1 A 103 103 ILE HA H 103 4.526 4.572 -0.046 1
1 1126 . 19 1 1 A 103 103 ILE CB C 103 35.534 37.600 -2.066 1
1 1138 . 19 1 1 A 103 103 ILE C C 103 173.902 176.630 -2.728 1
1 1140 . 19 1 1 A 104 104 PRO CA C 104 66.456 64.117 2.339 1
1 1141 . 19 1 1 A 104 104 PRO HA H 104 4.177 4.501 -0.324 1
1 1142 . 19 1 1 A 104 104 PRO CB C 104 31.709 31.433 0.276 1
1 1151 . 19 1 1 A 105 105 LEU N N 105 115.386 117.603 -2.217 1
1 1152 . 19 1 1 A 105 105 LEU H H 105 8.464 7.816 0.648 1
1 1153 . 19 1 1 A 105 105 LEU CA C 105 55.294 55.187 0.107 1
1 1154 . 19 1 1 A 105 105 LEU HA H 105 3.845 4.264 -0.419 1
1 1155 . 19 1 1 A 105 105 LEU CB C 105 39.148 42.537 -3.389 1
1 1168 . 19 1 1 A 106 106 SER N N 106 111.669 113.811 -2.142 1
1 1169 . 19 1 1 A 106 106 SER H H 106 7.338 7.198 0.140 1
1 1170 . 19 1 1 A 106 106 SER CA C 106 54.750 56.478 -1.728 1
1 1171 . 19 1 1 A 106 106 SER HA H 106 4.347 4.174 0.173 1
1 1172 . 19 1 1 A 106 106 SER CB C 106 64.133 63.258 0.875 1
1 1175 . 19 1 1 A 107 107 PRO CA C 107 62.344 62.327 0.017 1
1 1176 . 19 1 1 A 107 107 PRO HA H 107 5.323 4.593 0.730 1
1 1177 . 19 1 1 A 107 107 PRO CB C 107 33.977 32.908 1.069 1
1 1183 . 19 1 1 A 107 107 PRO C C 107 176.003 174.715 1.288 1
1 1187 . 19 1 1 A 108 108 TYR N N 108 122.832 119.521 3.311 1
1 1188 . 19 1 1 A 108 108 TYR H H 108 9.294 8.509 0.785 1
1 1189 . 19 1 1 A 108 108 TYR CA C 108 57.629 56.804 0.825 1
1 1190 . 19 1 1 A 108 108 TYR HA H 108 4.428 4.948 -0.520 1
1 1191 . 19 1 1 A 108 108 TYR CB C 108 40.091 40.092 -0.001 1
1 1201 . 19 1 1 A 108 108 TYR C C 108 175.851 175.709 0.142 1
1 1203 . 19 1 1 A 109 109 ARG N N 109 122.941 123.529 -0.588 1
1 1204 . 19 1 1 A 109 109 ARG H H 109 8.746 8.641 0.105 1
1 1205 . 19 1 1 A 109 109 ARG CA C 109 55.259 55.849 -0.590 1
1 1206 . 19 1 1 A 109 109 ARG HA H 109 5.189 4.629 0.560 1
1 1207 . 19 1 1 A 109 109 ARG CB C 109 30.879 30.845 0.034 1
1 1213 . 19 1 1 A 109 109 ARG C C 109 175.522 175.774 -0.252 1
1 1217 . 19 1 1 A 110 110 ILE N N 110 125.109 122.470 2.639 1
1 1218 . 19 1 1 A 110 110 ILE H H 110 8.742 8.521 0.221 1
1 1219 . 19 1 1 A 110 110 ILE CA C 110 57.577 59.789 -2.212 1
1 1220 . 19 1 1 A 110 110 ILE HA H 110 4.758 4.802 -0.044 1
1 1221 . 19 1 1 A 110 110 ILE CB C 110 41.138 42.521 -1.383 1
1 1233 . 19 1 1 A 110 110 ILE C C 110 175.121 174.541 0.580 1
1 1235 . 19 1 1 A 111 111 ARG N N 111 125.357 126.009 -0.652 1
1 1236 . 19 1 1 A 111 111 ARG H H 111 8.776 8.850 -0.074 1
1 1237 . 19 1 1 A 111 111 ARG CA C 111 54.730 54.238 0.492 1
1 1238 . 19 1 1 A 111 111 ARG HA H 111 5.053 5.340 -0.287 1
1 1239 . 19 1 1 A 111 111 ARG CB C 111 32.685 34.129 -1.444 1
1 1245 . 19 1 1 A 111 111 ARG C C 111 174.163 174.621 -0.458 1
1 1249 . 19 1 1 A 112 112 ALA N N 112 127.119 128.394 -1.275 1
1 1250 . 19 1 1 A 112 112 ALA H H 112 9.208 8.861 0.347 1
1 1251 . 19 1 1 A 112 112 ALA CA C 112 49.945 51.415 -1.470 1
1 1252 . 19 1 1 A 112 112 ALA HA H 112 5.851 4.864 0.987 1
1 1253 . 19 1 1 A 112 112 ALA CB C 112 21.329 19.034 2.295 1
1 1257 . 19 1 1 A 112 112 ALA C C 112 178.853 177.144 1.709 1
1 1258 . 19 1 1 A 113 113 THR N N 113 116.033 115.759 0.274 1
1 1259 . 19 1 1 A 113 113 THR H H 113 8.995 8.799 0.196 1
1 1260 . 19 1 1 A 113 113 THR CA C 113 60.312 62.318 -2.006 1
1 1261 . 19 1 1 A 113 113 THR HA H 113 4.695 4.344 0.351 1
1 1262 . 19 1 1 A 113 113 THR CB C 113 71.251 68.914 2.337 1
1 1268 . 19 1 1 A 113 113 THR C C 113 173.710 174.071 -0.361 1
1 1269 . 19 1 1 A 114 114 GLN N N 114 122.122 126.789 -4.667 1
1 1270 . 19 1 1 A 114 114 GLN H H 114 8.753 8.579 0.174 1
1 1271 . 19 1 1 A 114 114 GLN CA C 114 55.817 56.688 -0.871 1
1 1272 . 19 1 1 A 114 114 GLN HA H 114 4.570 4.331 0.239 1
1 1273 . 19 1 1 A 114 114 GLN CB C 114 30.106 29.373 0.733 1
1 1280 . 19 1 1 A 114 114 GLN C C 114 176.106 175.706 0.400 1
1 1283 . 19 1 1 A 115 115 THR N N 115 117.345 118.105 -0.760 1
1 1284 . 19 1 1 A 115 115 THR H H 115 8.493 9.082 -0.589 1
1 1285 . 19 1 1 A 115 115 THR CA C 115 62.328 62.398 -0.070 1
1 1286 . 19 1 1 A 115 115 THR HA H 115 4.351 4.588 -0.237 1
1 1287 . 19 1 1 A 115 115 THR CB C 115 69.874 70.244 -0.370 1
1 1293 . 19 1 1 A 115 115 THR C C 115 175.158 175.122 0.036 1
1 1294 . 19 1 1 A 116 116 GLY N N 116 111.927 108.323 3.604 1
1 1295 . 19 1 1 A 116 116 GLY H H 116 8.559 7.487 1.072 1
1 1296 . 19 1 1 A 116 116 GLY CA C 116 45.315 45.536 -0.221 1
1 1297 . 19 1 1 A 116 116 GLY HA3 H 116 3.934 4.033 -0.099 1
1 1298 . 19 1 1 A 116 116 GLY C C 116 173.820 171.312 2.508 1
1 1299 . 19 1 1 A 116 116 GLY HA2 H 116 4.030 4.030 0.000 1
1 1300 . 19 1 1 A 117 117 ASP N N 117 120.643 120.619 0.024 1
1 1301 . 19 1 1 A 117 117 ASP H H 117 8.208 8.745 -0.537 1
1 1302 . 19 1 1 A 117 117 ASP CA C 117 54.393 53.722 0.671 1
1 1303 . 19 1 1 A 117 117 ASP HA H 117 4.615 5.503 -0.888 1
1 1304 . 19 1 1 A 117 117 ASP CB C 117 41.388 44.450 -3.062 1
1 1306 . 19 1 1 A 117 117 ASP C C 117 175.973 174.262 1.711 1
1 1308 . 19 1 1 A 118 118 ALA N N 118 124.934 124.655 0.279 1
1 1309 . 19 1 1 A 118 118 ALA H H 118 8.312 8.426 -0.114 1
1 1310 . 19 1 1 A 118 118 ALA CA C 118 52.447 51.198 1.249 1
1 1311 . 19 1 1 A 118 118 ALA HA H 118 4.415 4.713 -0.298 1
1 1312 . 19 1 1 A 118 118 ALA CB C 118 19.339 22.788 -3.449 1
1 1316 . 19 1 1 A 118 118 ALA C C 118 176.848 177.524 -0.676 1
1 1 . 20 1 1 A 9 9 SER HA H 9 4.733 4.823 -0.090 1
1 2 . 20 1 1 A 10 10 PRO CA C 10 63.335 62.254 1.081 1
1 3 . 20 1 1 A 10 10 PRO HA H 10 4.399 4.620 -0.221 1
1 4 . 20 1 1 A 10 10 PRO CB C 10 31.938 33.235 -1.297 1
1 10 . 20 1 1 A 10 10 PRO C C 10 176.442 174.892 1.550 1
1 14 . 20 1 1 A 11 11 PHE N N 11 119.801 118.616 1.185 1
1 15 . 20 1 1 A 11 11 PHE H H 11 8.036 8.514 -0.478 1
1 16 . 20 1 1 A 11 11 PHE CA C 11 57.505 56.257 1.248 1
1 17 . 20 1 1 A 11 11 PHE HA H 11 4.606 5.020 -0.414 1
1 18 . 20 1 1 A 11 11 PHE CB C 11 39.592 43.749 -4.157 1
1 30 . 20 1 1 A 11 11 PHE C C 11 175.401 174.662 0.739 1
1 32 . 20 1 1 A 12 12 LYS N N 12 123.563 119.544 4.019 1
1 33 . 20 1 1 A 12 12 LYS H H 12 8.112 8.975 -0.863 1
1 34 . 20 1 1 A 12 12 LYS CA C 12 56.175 54.477 1.698 1
1 35 . 20 1 1 A 12 12 LYS HA H 12 4.322 5.000 -0.678 1
1 36 . 20 1 1 A 12 12 LYS CB C 12 33.352 36.228 -2.876 1
1 44 . 20 1 1 A 12 12 LYS C C 12 175.802 175.374 0.428 1
1 49 . 20 1 1 A 13 13 VAL N N 13 122.071 118.937 3.134 1
1 50 . 20 1 1 A 13 13 VAL H H 13 8.080 8.542 -0.462 1
1 51 . 20 1 1 A 13 13 VAL CA C 13 62.280 62.564 -0.284 1
1 52 . 20 1 1 A 13 13 VAL HA H 13 4.036 4.100 -0.064 1
1 53 . 20 1 1 A 13 13 VAL CB C 13 32.895 31.980 0.915 1
1 63 . 20 1 1 A 13 13 VAL C C 13 175.814 176.137 -0.323 1
1 64 . 20 1 1 A 14 14 LYS N N 14 125.874 125.547 0.327 1
1 65 . 20 1 1 A 14 14 LYS H H 14 8.392 8.656 -0.264 1
1 66 . 20 1 1 A 14 14 LYS CA C 14 56.250 54.379 1.871 1
1 67 . 20 1 1 A 14 14 LYS HA H 14 4.322 4.961 -0.639 1
1 68 . 20 1 1 A 14 14 LYS CB C 14 33.193 36.526 -3.333 1
1 73 . 20 1 1 A 14 14 LYS C C 14 175.973 176.133 -0.160 1
1 75 . 20 1 1 A 15 15 VAL N N 15 123.129 118.644 4.485 1
1 76 . 20 1 1 A 15 15 VAL H H 15 8.204 8.520 -0.316 1
1 77 . 20 1 1 A 15 15 VAL CA C 15 62.033 60.639 1.394 1
1 78 . 20 1 1 A 15 15 VAL HA H 15 4.100 4.397 -0.297 1
1 79 . 20 1 1 A 15 15 VAL CB C 15 32.858 33.835 -0.977 1
1 89 . 20 1 1 A 15 15 VAL C C 15 175.717 175.846 -0.129 1
1 90 . 20 1 1 A 16 16 LEU N N 16 127.971 124.165 3.806 1
1 91 . 20 1 1 A 16 16 LEU H H 16 8.378 8.329 0.049 1
1 92 . 20 1 1 A 16 16 LEU CA C 16 52.885 54.128 -1.243 1
1 93 . 20 1 1 A 16 16 LEU HA H 16 4.624 4.212 0.412 1
1 94 . 20 1 1 A 16 16 LEU CB C 16 41.706 41.619 0.087 1
1 106 . 20 1 1 A 16 16 LEU C C 16 175.092 174.996 0.096 1
1 108 . 20 1 1 A 17 17 PRO CA C 17 62.704 62.161 0.543 1
1 109 . 20 1 1 A 17 17 PRO HA H 17 4.556 4.562 -0.006 1
1 110 . 20 1 1 A 17 17 PRO CB C 17 32.293 32.550 -0.257 1
1 116 . 20 1 1 A 17 17 PRO C C 17 177.319 177.219 0.100 1
1 120 . 20 1 1 A 18 18 THR N N 18 112.726 114.560 -1.834 1
1 121 . 20 1 1 A 18 18 THR H H 18 8.497 8.615 -0.118 1
1 122 . 20 1 1 A 18 18 THR CA C 18 62.335 64.661 -2.326 1
1 123 . 20 1 1 A 18 18 THR HA H 18 4.352 4.185 0.167 1
1 124 . 20 1 1 A 18 18 THR CB C 18 69.700 68.972 0.728 1
1 130 . 20 1 1 A 18 18 THR C C 18 173.418 174.964 -1.546 1
1 131 . 20 1 1 A 19 19 TYR N N 19 118.883 119.942 -1.059 1
1 132 . 20 1 1 A 19 19 TYR H H 19 7.244 7.731 -0.487 1
1 133 . 20 1 1 A 19 19 TYR CA C 19 55.270 57.942 -2.672 1
1 134 . 20 1 1 A 19 19 TYR HA H 19 5.404 4.852 0.552 1
1 135 . 20 1 1 A 19 19 TYR CB C 19 40.974 39.897 1.077 1
1 145 . 20 1 1 A 19 19 TYR C C 19 174.318 174.776 -0.458 1
1 147 . 20 1 1 A 20 20 ASP N N 20 118.193 119.609 -1.416 1
1 148 . 20 1 1 A 20 20 ASP H H 20 8.686 9.320 -0.634 1
1 149 . 20 1 1 A 20 20 ASP CA C 20 53.226 53.178 0.048 1
1 150 . 20 1 1 A 20 20 ASP HA H 20 4.539 5.176 -0.637 1
1 151 . 20 1 1 A 20 20 ASP CB C 20 41.490 44.400 -2.910 1
1 153 . 20 1 1 A 20 20 ASP C C 20 176.349 176.147 0.202 1
1 155 . 20 1 1 A 21 21 ALA N N 21 127.255 127.388 -0.133 1
1 156 . 20 1 1 A 21 21 ALA H H 21 9.404 9.126 0.278 1
1 157 . 20 1 1 A 21 21 ALA CA C 21 55.157 55.452 -0.295 1
1 158 . 20 1 1 A 21 21 ALA HA H 21 4.204 4.232 -0.028 1
1 159 . 20 1 1 A 21 21 ALA CB C 21 19.890 18.594 1.296 1
1 163 . 20 1 1 A 21 21 ALA C C 21 178.113 179.658 -1.545 1
1 164 . 20 1 1 A 22 22 SER N N 22 110.959 113.000 -2.041 1
1 165 . 20 1 1 A 22 22 SER H H 22 8.397 8.272 0.125 1
1 166 . 20 1 1 A 22 22 SER CA C 22 60.794 61.061 -0.267 1
1 167 . 20 1 1 A 22 22 SER HA H 22 4.363 4.165 0.198 1
1 168 . 20 1 1 A 22 22 SER CB C 22 62.850 63.107 -0.257 1
1 170 . 20 1 1 A 22 22 SER C C 22 175.425 175.908 -0.483 1
1 172 . 20 1 1 A 23 23 LYS N N 23 119.671 117.394 2.277 1
1 173 . 20 1 1 A 23 23 LYS H H 23 7.366 7.606 -0.240 1
1 174 . 20 1 1 A 23 23 LYS CA C 23 54.818 55.999 -1.181 1
1 175 . 20 1 1 A 23 23 LYS HA H 23 4.368 4.352 0.016 1
1 176 . 20 1 1 A 23 23 LYS CB C 23 33.063 32.278 0.785 1
1 184 . 20 1 1 A 23 23 LYS C C 23 176.544 174.834 1.710 1
1 189 . 20 1 1 A 24 24 VAL N N 24 123.377 120.037 3.340 1
1 190 . 20 1 1 A 24 24 VAL H H 24 7.392 7.348 0.044 1
1 191 . 20 1 1 A 24 24 VAL CA C 24 62.722 61.376 1.346 1
1 192 . 20 1 1 A 24 24 VAL HA H 24 4.184 4.542 -0.358 1
1 193 . 20 1 1 A 24 24 VAL CB C 24 31.780 33.580 -1.800 1
1 203 . 20 1 1 A 24 24 VAL C C 24 175.644 175.271 0.373 1
1 204 . 20 1 1 A 25 25 THR N N 25 117.441 117.975 -0.534 1
1 205 . 20 1 1 A 25 25 THR H H 25 8.384 9.003 -0.619 1
1 206 . 20 1 1 A 25 25 THR CA C 25 59.858 60.486 -0.628 1
1 207 . 20 1 1 A 25 25 THR HA H 25 4.784 5.196 -0.412 1
1 208 . 20 1 1 A 25 25 THR CB C 25 71.687 71.824 -0.137 1
1 214 . 20 1 1 A 25 25 THR C C 25 172.360 173.417 -1.057 1
1 215 . 20 1 1 A 26 26 ALA N N 26 123.956 125.326 -1.370 1
1 216 . 20 1 1 A 26 26 ALA H H 26 8.440 9.031 -0.591 1
1 217 . 20 1 1 A 26 26 ALA CA C 26 51.022 50.167 0.855 1
1 218 . 20 1 1 A 26 26 ALA HA H 26 5.575 5.755 -0.180 1
1 219 . 20 1 1 A 26 26 ALA CB C 26 22.576 23.226 -0.650 1
1 223 . 20 1 1 A 26 26 ALA C C 26 176.301 175.546 0.755 1
1 224 . 20 1 1 A 27 27 SER N N 27 114.430 114.569 -0.139 1
1 225 . 20 1 1 A 27 27 SER H H 27 9.021 8.759 0.262 1
1 226 . 20 1 1 A 27 27 SER CA C 27 57.771 57.334 0.437 1
1 227 . 20 1 1 A 27 27 SER HA H 27 4.745 5.441 -0.696 1
1 228 . 20 1 1 A 27 27 SER CB C 27 65.911 67.524 -1.613 1
1 230 . 20 1 1 A 27 27 SER C C 27 172.798 173.112 -0.314 1
1 232 . 20 1 1 A 28 28 GLY N N 28 108.618 110.123 -1.505 1
1 233 . 20 1 1 A 28 28 GLY H H 28 8.516 8.431 0.085 1
1 234 . 20 1 1 A 28 28 GLY CA C 28 44.966 44.524 0.442 1
1 235 . 20 1 1 A 28 28 GLY HA3 H 28 4.102 4.282 -0.180 1
1 236 . 20 1 1 A 28 28 GLY C C 28 173.392 174.163 -0.771 1
1 237 . 20 1 1 A 28 28 GLY HA2 H 28 5.026 4.243 0.783 1
1 238 . 20 1 1 A 29 29 PRO CA C 29 65.446 65.038 0.408 1
1 239 . 20 1 1 A 29 29 PRO HA H 29 4.399 4.442 -0.043 1
1 240 . 20 1 1 A 29 29 PRO CB C 29 31.739 32.076 -0.337 1
1 246 . 20 1 1 A 29 29 PRO C C 29 179.804 178.550 1.254 1
1 250 . 20 1 1 A 30 30 GLY N N 30 103.199 106.005 -2.806 1
1 251 . 20 1 1 A 30 30 GLY H H 30 9.156 8.543 0.613 1
1 252 . 20 1 1 A 30 30 GLY CA C 30 46.458 46.952 -0.494 1
1 253 . 20 1 1 A 30 30 GLY HA3 H 30 3.331 4.396 -1.065 1
1 254 . 20 1 1 A 30 30 GLY C C 30 171.694 174.728 -3.034 1
1 255 . 20 1 1 A 30 30 GLY HA2 H 30 4.062 4.221 -0.159 1
1 256 . 20 1 1 A 31 31 LEU N N 31 116.112 119.733 -3.621 1
1 257 . 20 1 1 A 31 31 LEU H H 31 7.351 7.816 -0.465 1
1 258 . 20 1 1 A 31 31 LEU CA C 31 52.607 54.237 -1.630 1
1 259 . 20 1 1 A 31 31 LEU HA H 31 4.269 4.603 -0.334 1
1 260 . 20 1 1 A 31 31 LEU CB C 31 41.265 42.151 -0.886 1
1 272 . 20 1 1 A 31 31 LEU C C 31 176.751 176.295 0.456 1
1 274 . 20 1 1 A 32 32 SER N N 32 114.056 117.780 -3.724 1
1 275 . 20 1 1 A 32 32 SER H H 32 6.986 7.861 -0.875 1
1 276 . 20 1 1 A 32 32 SER CA C 32 58.750 58.082 0.668 1
1 277 . 20 1 1 A 32 32 SER HA H 32 4.268 4.472 -0.204 1
1 278 . 20 1 1 A 32 32 SER CB C 32 64.571 64.078 0.493 1
1 280 . 20 1 1 A 32 32 SER C C 32 176.483 175.047 1.436 1
1 282 . 20 1 1 A 33 33 SER N N 33 123.249 122.698 0.551 1
1 283 . 20 1 1 A 33 33 SER H H 33 8.887 8.926 -0.039 1
1 284 . 20 1 1 A 33 33 SER CA C 33 60.176 60.962 -0.786 1
1 285 . 20 1 1 A 33 33 SER HA H 33 4.409 4.100 0.309 1
1 286 . 20 1 1 A 33 33 SER CB C 33 63.098 62.651 0.447 1
1 288 . 20 1 1 A 33 33 SER C C 33 174.922 176.262 -1.340 1
1 290 . 20 1 1 A 34 34 TYR N N 34 120.641 118.146 2.495 1
1 291 . 20 1 1 A 34 34 TYR H H 34 8.225 7.819 0.406 1
1 292 . 20 1 1 A 34 34 TYR CA C 34 58.266 59.054 -0.788 1
1 293 . 20 1 1 A 34 34 TYR HA H 34 4.622 4.403 0.219 1
1 294 . 20 1 1 A 34 34 TYR CB C 34 38.478 38.669 -0.191 1
1 304 . 20 1 1 A 34 34 TYR C C 34 175.881 175.995 -0.114 1
1 306 . 20 1 1 A 35 35 GLY N N 35 109.142 106.610 2.532 1
1 307 . 20 1 1 A 35 35 GLY H H 35 7.416 7.501 -0.085 1
1 308 . 20 1 1 A 35 35 GLY CA C 35 44.524 44.205 0.319 1
1 309 . 20 1 1 A 35 35 GLY HA3 H 35 4.411 4.132 0.279 1
1 310 . 20 1 1 A 35 35 GLY C C 35 172.956 172.477 0.479 1
1 311 . 20 1 1 A 35 35 GLY HA2 H 35 4.324 4.125 0.199 1
1 312 . 20 1 1 A 36 36 VAL N N 36 116.841 115.919 0.922 1
1 313 . 20 1 1 A 36 36 VAL H H 36 8.617 8.445 0.172 1
1 314 . 20 1 1 A 36 36 VAL CA C 36 57.700 58.086 -0.386 1
1 315 . 20 1 1 A 36 36 VAL HA H 36 4.880 4.974 -0.094 1
1 316 . 20 1 1 A 36 36 VAL CB C 36 33.474 33.833 -0.359 1
1 326 . 20 1 1 A 36 36 VAL C C 36 173.489 173.563 -0.074 1
1 327 . 20 1 1 A 37 37 PRO CA C 37 62.200 62.278 -0.078 1
1 328 . 20 1 1 A 37 37 PRO HA H 37 4.646 4.704 -0.058 1
1 329 . 20 1 1 A 37 37 PRO CB C 37 31.876 31.700 0.176 1
1 335 . 20 1 1 A 37 37 PRO C C 37 177.148 177.045 0.103 1
1 339 . 20 1 1 A 38 38 ALA N N 38 124.330 125.009 -0.679 1
1 340 . 20 1 1 A 38 38 ALA H H 38 8.591 8.018 0.573 1
1 341 . 20 1 1 A 38 38 ALA CA C 38 52.606 52.370 0.236 1
1 342 . 20 1 1 A 38 38 ALA HA H 38 4.189 4.255 -0.066 1
1 343 . 20 1 1 A 38 38 ALA CB C 38 18.928 19.881 -0.953 1
1 347 . 20 1 1 A 38 38 ALA C C 38 178.418 178.265 0.153 1
1 348 . 20 1 1 A 39 39 SER N N 39 109.435 115.632 -6.197 1
1 349 . 20 1 1 A 39 39 SER H H 39 8.687 8.784 -0.097 1
1 350 . 20 1 1 A 39 39 SER CA C 39 61.147 59.091 2.056 1
1 351 . 20 1 1 A 39 39 SER HA H 39 3.770 4.062 -0.292 1
1 352 . 20 1 1 A 39 39 SER CB C 39 62.322 61.678 0.644 1
1 354 . 20 1 1 A 39 39 SER C C 39 172.372 173.317 -0.945 1
1 356 . 20 1 1 A 40 40 LEU N N 40 121.668 120.916 0.752 1
1 357 . 20 1 1 A 40 40 LEU H H 40 6.981 7.763 -0.782 1
1 358 . 20 1 1 A 40 40 LEU CA C 40 51.707 50.961 0.746 1
1 359 . 20 1 1 A 40 40 LEU HA H 40 4.890 4.713 0.177 1
1 360 . 20 1 1 A 40 40 LEU CB C 40 43.441 45.574 -2.133 1
1 372 . 20 1 1 A 40 40 LEU C C 40 173.635 174.011 -0.376 1
1 374 . 20 1 1 A 41 41 PRO CA C 41 62.683 62.329 0.354 1
1 375 . 20 1 1 A 41 41 PRO HA H 41 4.490 4.638 -0.148 1
1 376 . 20 1 1 A 41 41 PRO CB C 41 31.415 30.773 0.642 1
1 382 . 20 1 1 A 41 41 PRO C C 41 175.540 175.171 0.369 1
1 386 . 20 1 1 A 42 42 VAL N N 42 124.505 122.596 1.909 1
1 387 . 20 1 1 A 42 42 VAL H H 42 8.917 7.744 1.173 1
1 388 . 20 1 1 A 42 42 VAL CA C 42 60.282 59.487 0.795 1
1 389 . 20 1 1 A 42 42 VAL HA H 42 4.408 4.599 -0.191 1
1 390 . 20 1 1 A 42 42 VAL CB C 42 34.522 34.376 0.146 1
1 400 . 20 1 1 A 42 42 VAL C C 42 171.180 174.062 -2.882 1
1 401 . 20 1 1 A 43 43 ASP N N 43 121.538 126.667 -5.129 1
1 402 . 20 1 1 A 43 43 ASP H H 43 7.549 9.056 -1.507 1
1 403 . 20 1 1 A 43 43 ASP CA C 43 51.968 52.303 -0.335 1
1 404 . 20 1 1 A 43 43 ASP HA H 43 6.324 5.611 0.713 1
1 405 . 20 1 1 A 43 43 ASP CB C 43 44.949 44.303 0.646 1
1 407 . 20 1 1 A 43 43 ASP C C 43 177.711 174.844 2.867 1
1 409 . 20 1 1 A 44 44 PHE N N 44 112.517 118.167 -5.650 1
1 410 . 20 1 1 A 44 44 PHE H H 44 9.044 7.714 1.330 1
1 411 . 20 1 1 A 44 44 PHE CA C 44 57.658 54.947 2.711 1
1 412 . 20 1 1 A 44 44 PHE HA H 44 5.069 5.394 -0.325 1
1 413 . 20 1 1 A 44 44 PHE CB C 44 41.220 42.057 -0.837 1
1 425 . 20 1 1 A 44 44 PHE C C 44 171.679 173.950 -2.271 1
1 427 . 20 1 1 A 45 45 ALA N N 45 123.935 121.153 2.782 1
1 428 . 20 1 1 A 45 45 ALA H H 45 9.468 9.040 0.428 1
1 429 . 20 1 1 A 45 45 ALA CA C 45 50.855 50.427 0.428 1
1 430 . 20 1 1 A 45 45 ALA HA H 45 5.379 5.296 0.083 1
1 431 . 20 1 1 A 45 45 ALA CB C 45 22.496 22.306 0.190 1
1 435 . 20 1 1 A 45 45 ALA C C 45 176.715 175.826 0.889 1
1 436 . 20 1 1 A 46 46 ILE N N 46 119.530 123.192 -3.662 1
1 437 . 20 1 1 A 46 46 ILE H H 46 8.686 9.454 -0.768 1
1 438 . 20 1 1 A 46 46 ILE CA C 46 59.561 60.673 -1.112 1
1 439 . 20 1 1 A 46 46 ILE HA H 46 4.863 4.699 0.164 1
1 440 . 20 1 1 A 46 46 ILE CB C 46 41.370 38.630 2.740 1
1 452 . 20 1 1 A 46 46 ILE C C 46 174.379 173.862 0.517 1
1 454 . 20 1 1 A 47 47 ASP N N 47 127.143 129.270 -2.127 1
1 455 . 20 1 1 A 47 47 ASP H H 47 9.281 8.848 0.433 1
1 456 . 20 1 1 A 47 47 ASP CA C 47 53.297 52.920 0.377 1
1 457 . 20 1 1 A 47 47 ASP HA H 47 4.976 5.137 -0.161 1
1 458 . 20 1 1 A 47 47 ASP CB C 47 41.371 43.005 -1.634 1
1 460 . 20 1 1 A 47 47 ASP C C 47 174.962 174.784 0.178 1
1 462 . 20 1 1 A 48 48 ALA N N 48 129.371 129.390 -0.019 1
1 463 . 20 1 1 A 48 48 ALA H H 48 9.078 8.696 0.382 1
1 464 . 20 1 1 A 48 48 ALA CA C 48 50.554 50.794 -0.240 1
1 465 . 20 1 1 A 48 48 ALA HA H 48 4.641 4.953 -0.312 1
1 466 . 20 1 1 A 48 48 ALA CB C 48 19.699 20.659 -0.960 1
1 470 . 20 1 1 A 48 48 ALA C C 48 179.317 176.704 2.613 1
1 471 . 20 1 1 A 49 49 ARG N N 49 122.060 124.668 -2.608 1
1 472 . 20 1 1 A 49 49 ARG H H 49 8.590 8.970 -0.380 1
1 473 . 20 1 1 A 49 49 ARG CA C 49 60.964 57.661 3.303 1
1 474 . 20 1 1 A 49 49 ARG HA H 49 3.987 4.471 -0.484 1
1 475 . 20 1 1 A 49 49 ARG CB C 49 30.654 31.273 -0.619 1
1 483 . 20 1 1 A 49 49 ARG C C 49 178.077 176.408 1.669 1
1 487 . 20 1 1 A 50 50 ASP N N 50 116.664 117.696 -1.032 1
1 488 . 20 1 1 A 50 50 ASP H H 50 8.794 7.946 0.848 1
1 489 . 20 1 1 A 50 50 ASP CA C 50 53.827 53.059 0.768 1
1 490 . 20 1 1 A 50 50 ASP HA H 50 5.040 4.855 0.185 1
1 491 . 20 1 1 A 50 50 ASP CB C 50 41.595 41.167 0.428 1
1 493 . 20 1 1 A 50 50 ASP C C 50 175.754 177.102 -1.348 1
1 495 . 20 1 1 A 51 51 ALA N N 51 121.173 122.452 -1.279 1
1 496 . 20 1 1 A 51 51 ALA H H 51 7.406 7.804 -0.398 1
1 497 . 20 1 1 A 51 51 ALA CA C 51 52.147 52.046 0.101 1
1 498 . 20 1 1 A 51 51 ALA HA H 51 4.414 4.521 -0.107 1
1 499 . 20 1 1 A 51 51 ALA CB C 51 23.427 19.792 3.635 1
1 503 . 20 1 1 A 51 51 ALA C C 51 176.763 178.269 -1.506 1
1 504 . 20 1 1 A 52 52 GLY N N 52 108.187 106.923 1.264 1
1 505 . 20 1 1 A 52 52 GLY H H 52 8.521 7.978 0.543 1
1 506 . 20 1 1 A 52 52 GLY CA C 52 45.210 46.279 -1.069 1
1 507 . 20 1 1 A 52 52 GLY HA3 H 52 3.859 4.079 -0.220 1
1 508 . 20 1 1 A 52 52 GLY C C 52 175.060 173.464 1.596 1
1 509 . 20 1 1 A 52 52 GLY HA2 H 52 4.492 4.027 0.465 1
1 510 . 20 1 1 A 53 53 GLU N N 53 124.810 123.618 1.192 1
1 511 . 20 1 1 A 53 53 GLU H H 53 8.643 8.815 -0.172 1
1 512 . 20 1 1 A 53 53 GLU CA C 53 56.352 55.159 1.193 1
1 513 . 20 1 1 A 53 53 GLU HA H 53 4.663 5.603 -0.940 1
1 514 . 20 1 1 A 53 53 GLU CB C 53 31.164 32.839 -1.675 1
1 518 . 20 1 1 A 53 53 GLU C C 53 173.491 175.630 -2.139 1
1 521 . 20 1 1 A 54 54 GLY N N 54 111.417 112.145 -0.728 1
1 522 . 20 1 1 A 54 54 GLY H H 54 7.465 8.566 -1.101 1
1 523 . 20 1 1 A 54 54 GLY CA C 54 43.622 44.544 -0.922 1
1 524 . 20 1 1 A 54 54 GLY HA3 H 54 2.287 3.782 -1.495 1
1 525 . 20 1 1 A 54 54 GLY C C 54 170.013 171.361 -1.348 1
1 526 . 20 1 1 A 54 54 GLY HA2 H 54 3.819 3.240 0.579 1
1 527 . 20 1 1 A 55 55 LEU N N 55 117.446 121.993 -4.547 1
1 528 . 20 1 1 A 55 55 LEU H H 55 7.461 7.792 -0.331 1
1 529 . 20 1 1 A 55 55 LEU CA C 55 54.041 54.809 -0.768 1
1 530 . 20 1 1 A 55 55 LEU HA H 55 4.293 4.115 0.178 1
1 531 . 20 1 1 A 55 55 LEU CB C 55 42.832 42.189 0.643 1
1 543 . 20 1 1 A 55 55 LEU C C 55 176.872 175.492 1.380 1
1 545 . 20 1 1 A 56 56 LEU N N 56 131.840 128.598 3.242 1
1 546 . 20 1 1 A 56 56 LEU H H 56 8.791 8.603 0.188 1
1 547 . 20 1 1 A 56 56 LEU CA C 56 53.807 53.631 0.176 1
1 548 . 20 1 1 A 56 56 LEU HA H 56 5.053 4.900 0.153 1
1 549 . 20 1 1 A 56 56 LEU CB C 56 43.113 43.959 -0.846 1
1 561 . 20 1 1 A 56 56 LEU C C 56 175.389 175.367 0.022 1
1 563 . 20 1 1 A 57 57 ALA N N 57 130.035 127.533 2.502 1
1 564 . 20 1 1 A 57 57 ALA H H 57 8.880 8.424 0.456 1
1 565 . 20 1 1 A 57 57 ALA CA C 57 51.758 51.039 0.719 1
1 566 . 20 1 1 A 57 57 ALA HA H 57 4.641 5.098 -0.457 1
1 567 . 20 1 1 A 57 57 ALA CB C 57 21.820 22.822 -1.002 1
1 571 . 20 1 1 A 57 57 ALA C C 57 174.647 174.959 -0.312 1
1 572 . 20 1 1 A 58 58 VAL N N 58 120.958 122.266 -1.308 1
1 573 . 20 1 1 A 58 58 VAL H H 58 8.443 8.884 -0.441 1
1 574 . 20 1 1 A 58 58 VAL CA C 58 60.495 59.561 0.934 1
1 575 . 20 1 1 A 58 58 VAL HA H 58 4.988 5.002 -0.014 1
1 576 . 20 1 1 A 58 58 VAL CB C 58 34.639 34.422 0.217 1
1 586 . 20 1 1 A 58 58 VAL C C 58 174.646 173.650 0.996 1
1 587 . 20 1 1 A 59 59 GLN N N 59 127.048 128.595 -1.547 1
1 588 . 20 1 1 A 59 59 GLN H H 59 9.196 9.001 0.195 1
1 589 . 20 1 1 A 59 59 GLN CA C 59 54.587 54.629 -0.042 1
1 590 . 20 1 1 A 59 59 GLN HA H 59 4.706 4.935 -0.229 1
1 591 . 20 1 1 A 59 59 GLN CB C 59 31.580 30.585 0.995 1
1 598 . 20 1 1 A 59 59 GLN C C 59 174.197 174.228 -0.031 1
1 601 . 20 1 1 A 60 60 ILE N N 60 127.617 127.839 -0.222 1
1 602 . 20 1 1 A 60 60 ILE H H 60 9.299 8.892 0.407 1
1 603 . 20 1 1 A 60 60 ILE CA C 60 60.506 60.602 -0.096 1
1 604 . 20 1 1 A 60 60 ILE HA H 60 5.210 5.019 0.191 1
1 605 . 20 1 1 A 60 60 ILE CB C 60 39.172 39.105 0.067 1
1 617 . 20 1 1 A 60 60 ILE C C 60 175.608 175.162 0.446 1
1 619 . 20 1 1 A 61 61 THR N N 61 119.733 117.032 2.701 1
1 620 . 20 1 1 A 61 61 THR H H 61 8.924 8.697 0.227 1
1 621 . 20 1 1 A 61 61 THR CA C 61 59.565 59.330 0.235 1
1 622 . 20 1 1 A 61 61 THR HA H 61 5.173 5.692 -0.519 1
1 623 . 20 1 1 A 61 61 THR CB C 61 72.121 72.400 -0.279 1
1 629 . 20 1 1 A 61 61 THR C C 61 174.051 173.596 0.455 1
1 630 . 20 1 1 A 62 62 ASP N N 62 122.337 120.335 2.002 1
1 631 . 20 1 1 A 62 62 ASP H H 62 8.484 8.325 0.159 1
1 632 . 20 1 1 A 62 62 ASP CA C 62 52.200 51.341 0.859 1
1 633 . 20 1 1 A 62 62 ASP HA H 62 4.425 4.497 -0.072 1
1 634 . 20 1 1 A 62 62 ASP CB C 62 42.222 42.291 -0.069 1
1 636 . 20 1 1 A 62 62 ASP C C 62 179.086 177.862 1.224 1
1 638 . 20 1 1 A 63 63 GLN N N 63 118.341 117.685 0.656 1
1 639 . 20 1 1 A 63 63 GLN H H 63 8.250 8.731 -0.481 1
1 640 . 20 1 1 A 63 63 GLN CA C 63 58.406 58.412 -0.006 1
1 641 . 20 1 1 A 63 63 GLN HA H 63 4.049 4.063 -0.014 1
1 642 . 20 1 1 A 63 63 GLN CB C 63 28.127 27.890 0.237 1
1 649 . 20 1 1 A 63 63 GLN C C 63 177.152 178.053 -0.901 1
1 652 . 20 1 1 A 64 64 GLU N N 64 119.134 118.787 0.347 1
1 653 . 20 1 1 A 64 64 GLU H H 64 8.120 7.664 0.456 1
1 654 . 20 1 1 A 64 64 GLU CA C 64 55.790 56.762 -0.972 1
1 655 . 20 1 1 A 64 64 GLU HA H 64 4.423 4.368 0.055 1
1 656 . 20 1 1 A 64 64 GLU CB C 64 30.102 30.323 -0.221 1
1 660 . 20 1 1 A 64 64 GLU C C 64 176.374 176.676 -0.302 1
1 663 . 20 1 1 A 65 65 GLY N N 65 108.728 108.364 0.364 1
1 664 . 20 1 1 A 65 65 GLY H H 65 8.306 8.227 0.079 1
1 665 . 20 1 1 A 65 65 GLY CA C 65 45.285 46.257 -0.972 1
1 666 . 20 1 1 A 65 65 GLY HA3 H 65 3.561 3.922 -0.361 1
1 667 . 20 1 1 A 65 65 GLY C C 65 174.342 174.597 -0.255 1
1 668 . 20 1 1 A 65 65 GLY HA2 H 65 4.203 3.920 0.283 1
1 669 . 20 1 1 A 66 66 LYS N N 66 123.502 119.793 3.709 1
1 670 . 20 1 1 A 66 66 LYS H H 66 8.528 8.212 0.316 1
1 671 . 20 1 1 A 66 66 LYS CA C 66 53.738 53.275 0.463 1
1 672 . 20 1 1 A 66 66 LYS HA H 66 4.613 4.635 -0.022 1
1 673 . 20 1 1 A 66 66 LYS CB C 66 31.167 32.572 -1.405 1
1 681 . 20 1 1 A 66 66 LYS C C 66 174.752 174.356 0.396 1
1 686 . 20 1 1 A 67 67 PRO CA C 67 62.433 62.742 -0.309 1
1 687 . 20 1 1 A 67 67 PRO HA H 67 5.062 4.711 0.351 1
1 688 . 20 1 1 A 67 67 PRO CB C 67 32.725 31.713 1.012 1
1 694 . 20 1 1 A 67 67 PRO C C 67 177.270 175.977 1.293 1
1 698 . 20 1 1 A 68 68 LYS N N 68 121.461 121.625 -0.164 1
1 699 . 20 1 1 A 68 68 LYS H H 68 8.419 8.176 0.243 1
1 700 . 20 1 1 A 68 68 LYS CA C 68 52.023 54.656 -2.633 1
1 701 . 20 1 1 A 68 68 LYS HA H 68 4.797 4.940 -0.143 1
1 702 . 20 1 1 A 68 68 LYS CB C 68 32.611 35.697 -3.086 1
1 710 . 20 1 1 A 68 68 LYS C C 68 175.389 174.657 0.732 1
1 715 . 20 1 1 A 69 69 ARG N N 69 124.040 122.857 1.183 1
1 716 . 20 1 1 A 69 69 ARG H H 69 8.683 8.688 -0.005 1
1 717 . 20 1 1 A 69 69 ARG CA C 69 57.045 55.429 1.616 1
1 718 . 20 1 1 A 69 69 ARG HA H 69 4.221 4.914 -0.693 1
1 719 . 20 1 1 A 69 69 ARG CB C 69 30.712 31.695 -0.983 1
1 725 . 20 1 1 A 69 69 ARG C C 69 174.877 175.062 -0.185 1
1 729 . 20 1 1 A 70 70 ALA N N 70 127.074 126.593 0.481 1
1 730 . 20 1 1 A 70 70 ALA H H 70 8.421 8.663 -0.242 1
1 731 . 20 1 1 A 70 70 ALA CA C 70 50.360 50.539 -0.179 1
1 732 . 20 1 1 A 70 70 ALA HA H 70 4.859 5.205 -0.346 1
1 733 . 20 1 1 A 70 70 ALA CB C 70 20.569 23.244 -2.675 1
1 737 . 20 1 1 A 70 70 ALA C C 70 176.313 175.590 0.723 1
1 738 . 20 1 1 A 71 71 ILE N N 71 124.496 120.628 3.868 1
1 739 . 20 1 1 A 71 71 ILE H H 71 8.943 8.694 0.249 1
1 740 . 20 1 1 A 71 71 ILE CA C 71 60.870 59.864 1.006 1
1 741 . 20 1 1 A 71 71 ILE HA H 71 4.195 4.688 -0.493 1
1 742 . 20 1 1 A 71 71 ILE CB C 71 38.457 39.565 -1.108 1
1 754 . 20 1 1 A 71 71 ILE C C 71 175.027 174.831 0.196 1
1 756 . 20 1 1 A 72 72 VAL N N 72 128.410 128.343 0.067 1
1 757 . 20 1 1 A 72 72 VAL H H 72 8.714 8.898 -0.184 1
1 758 . 20 1 1 A 72 72 VAL CA C 72 61.867 59.853 2.014 1
1 759 . 20 1 1 A 72 72 VAL HA H 72 4.478 4.813 -0.335 1
1 760 . 20 1 1 A 72 72 VAL CB C 72 32.745 34.192 -1.447 1
1 770 . 20 1 1 A 72 72 VAL C C 72 175.279 173.398 1.881 1
1 771 . 20 1 1 A 73 73 HIS N N 73 129.084 127.350 1.734 1
1 772 . 20 1 1 A 73 73 HIS H H 73 9.783 8.936 0.847 1
1 773 . 20 1 1 A 73 73 HIS CA C 73 55.366 54.046 1.320 1
1 774 . 20 1 1 A 73 73 HIS HA H 73 4.849 5.290 -0.441 1
1 775 . 20 1 1 A 73 73 HIS CB C 73 31.465 32.898 -1.433 1
1 781 . 20 1 1 A 73 73 HIS C C 73 173.491 174.079 -0.588 1
1 783 . 20 1 1 A 74 74 ASP N N 74 127.118 124.277 2.841 1
1 784 . 20 1 1 A 74 74 ASP H H 74 8.541 9.130 -0.589 1
1 785 . 20 1 1 A 74 74 ASP CA C 74 53.048 53.813 -0.765 1
1 786 . 20 1 1 A 74 74 ASP HA H 74 4.476 4.911 -0.435 1
1 787 . 20 1 1 A 74 74 ASP CB C 74 41.554 42.230 -0.676 1
1 789 . 20 1 1 A 74 74 ASP C C 74 175.936 175.870 0.066 1
1 791 . 20 1 1 A 75 75 ASN N N 75 124.002 122.302 1.700 1
1 792 . 20 1 1 A 75 75 ASN H H 75 7.827 8.854 -1.027 1
1 793 . 20 1 1 A 75 75 ASN CA C 75 54.517 53.237 1.280 1
1 794 . 20 1 1 A 75 75 ASN HA H 75 4.572 4.996 -0.424 1
1 795 . 20 1 1 A 75 75 ASN CB C 75 38.091 39.899 -1.808 1
1 800 . 20 1 1 A 75 75 ASN C C 75 175.352 174.878 0.474 1
1 802 . 20 1 1 A 76 76 LYS N N 76 114.689 115.460 -0.771 1
1 803 . 20 1 1 A 76 76 LYS H H 76 9.246 7.783 1.463 1
1 804 . 20 1 1 A 76 76 LYS CA C 76 57.428 57.251 0.177 1
1 805 . 20 1 1 A 76 76 LYS HA H 76 3.882 3.888 -0.006 1
1 806 . 20 1 1 A 76 76 LYS CB C 76 28.223 29.089 -0.866 1
1 814 . 20 1 1 A 76 76 LYS C C 76 174.975 174.730 0.245 1
1 819 . 20 1 1 A 77 77 ASP N N 77 117.462 118.903 -1.441 1
1 820 . 20 1 1 A 77 77 ASP H H 77 7.831 7.903 -0.072 1
1 821 . 20 1 1 A 77 77 ASP CA C 77 52.168 53.008 -0.840 1
1 822 . 20 1 1 A 77 77 ASP HA H 77 4.706 4.816 -0.110 1
1 823 . 20 1 1 A 77 77 ASP CB C 77 41.224 41.087 0.137 1
1 825 . 20 1 1 A 77 77 ASP C C 77 176.739 176.046 0.693 1
1 827 . 20 1 1 A 78 78 GLY N N 78 109.485 108.114 1.371 1
1 828 . 20 1 1 A 78 78 GLY H H 78 8.658 8.588 0.070 1
1 829 . 20 1 1 A 78 78 GLY CA C 78 45.568 46.049 -0.481 1
1 830 . 20 1 1 A 78 78 GLY HA3 H 78 3.698 3.825 -0.127 1
1 831 . 20 1 1 A 78 78 GLY C C 78 172.263 173.394 -1.131 1
1 832 . 20 1 1 A 78 78 GLY HA2 H 78 4.323 3.796 0.527 1
1 833 . 20 1 1 A 79 79 THR N N 79 109.462 109.939 -0.477 1
1 834 . 20 1 1 A 79 79 THR H H 79 8.057 7.189 0.868 1
1 835 . 20 1 1 A 79 79 THR CA C 79 59.989 59.910 0.079 1
1 836 . 20 1 1 A 79 79 THR HA H 79 5.566 4.957 0.609 1
1 837 . 20 1 1 A 79 79 THR CB C 79 72.712 72.756 -0.044 1
1 843 . 20 1 1 A 79 79 THR C C 79 173.868 171.840 2.028 1
1 844 . 20 1 1 A 80 80 TYR N N 80 116.428 118.766 -2.338 1
1 845 . 20 1 1 A 80 80 TYR H H 80 9.085 8.353 0.732 1
1 846 . 20 1 1 A 80 80 TYR CA C 80 56.533 56.497 0.036 1
1 847 . 20 1 1 A 80 80 TYR HA H 80 5.372 5.094 0.278 1
1 848 . 20 1 1 A 80 80 TYR CB C 80 42.831 42.702 0.129 1
1 858 . 20 1 1 A 80 80 TYR C C 80 175.327 174.724 0.603 1
1 860 . 20 1 1 A 81 81 ALA N N 81 126.743 126.147 0.596 1
1 861 . 20 1 1 A 81 81 ALA H H 81 9.302 8.556 0.746 1
1 862 . 20 1 1 A 81 81 ALA CA C 81 51.121 49.927 1.194 1
1 863 . 20 1 1 A 81 81 ALA HA H 81 5.149 5.462 -0.313 1
1 864 . 20 1 1 A 81 81 ALA CB C 81 22.111 22.898 -0.787 1
1 868 . 20 1 1 A 81 81 ALA C C 81 175.505 175.985 -0.480 1
1 869 . 20 1 1 A 82 82 VAL N N 82 124.472 120.598 3.874 1
1 870 . 20 1 1 A 82 82 VAL H H 82 8.940 7.905 1.035 1
1 871 . 20 1 1 A 82 82 VAL CA C 82 60.264 60.975 -0.711 1
1 872 . 20 1 1 A 82 82 VAL HA H 82 5.039 4.691 0.348 1
1 873 . 20 1 1 A 82 82 VAL CB C 82 33.236 34.427 -1.191 1
1 883 . 20 1 1 A 82 82 VAL C C 82 174.517 174.444 0.073 1
1 884 . 20 1 1 A 83 83 THR N N 83 121.500 122.491 -0.991 1
1 885 . 20 1 1 A 83 83 THR H H 83 8.717 8.432 0.285 1
1 886 . 20 1 1 A 83 83 THR CA C 83 61.075 62.322 -1.247 1
1 887 . 20 1 1 A 83 83 THR HA H 83 5.497 4.853 0.644 1
1 888 . 20 1 1 A 83 83 THR CB C 83 72.153 70.779 1.374 1
1 894 . 20 1 1 A 83 83 THR C C 83 173.515 173.638 -0.123 1
1 895 . 20 1 1 A 84 84 TYR N N 84 122.841 121.098 1.743 1
1 896 . 20 1 1 A 84 84 TYR H H 84 9.014 8.730 0.284 1
1 897 . 20 1 1 A 84 84 TYR CA C 84 55.985 55.937 0.048 1
1 898 . 20 1 1 A 84 84 TYR HA H 84 4.979 5.254 -0.275 1
1 899 . 20 1 1 A 84 84 TYR CB C 84 41.967 41.322 0.645 1
1 909 . 20 1 1 A 84 84 TYR C C 84 171.873 172.727 -0.854 1
1 911 . 20 1 1 A 85 85 ILE N N 85 118.254 123.856 -5.602 1
1 912 . 20 1 1 A 85 85 ILE H H 85 8.805 8.980 -0.175 1
1 913 . 20 1 1 A 85 85 ILE CA C 85 57.883 58.178 -0.295 1
1 914 . 20 1 1 A 85 85 ILE HA H 85 4.550 4.505 0.045 1
1 915 . 20 1 1 A 85 85 ILE CB C 85 40.179 38.870 1.309 1
1 927 . 20 1 1 A 85 85 ILE C C 85 174.339 174.834 -0.495 1
1 929 . 20 1 1 A 86 86 PRO CA C 86 61.414 62.791 -1.377 1
1 930 . 20 1 1 A 86 86 PRO HA H 86 4.436 4.698 -0.262 1
1 931 . 20 1 1 A 86 86 PRO CB C 86 30.107 31.973 -1.866 1
1 937 . 20 1 1 A 86 86 PRO C C 86 175.126 176.934 -1.808 1
1 941 . 20 1 1 A 87 87 ASP N N 87 123.447 124.023 -0.576 1
1 942 . 20 1 1 A 87 87 ASP H H 87 8.501 8.987 -0.486 1
1 943 . 20 1 1 A 87 87 ASP CA C 87 55.668 56.263 -0.595 1
1 944 . 20 1 1 A 87 87 ASP HA H 87 4.263 4.836 -0.573 1
1 945 . 20 1 1 A 87 87 ASP CB C 87 40.930 42.289 -1.359 1
1 947 . 20 1 1 A 87 87 ASP C C 87 175.182 176.054 -0.872 1
1 949 . 20 1 1 A 88 88 LYS N N 88 116.947 119.131 -2.184 1
1 950 . 20 1 1 A 88 88 LYS H H 88 7.683 8.093 -0.410 1
1 951 . 20 1 1 A 88 88 LYS CA C 88 54.995 56.167 -1.172 1
1 952 . 20 1 1 A 88 88 LYS HA H 88 4.588 4.391 0.197 1
1 953 . 20 1 1 A 88 88 LYS CB C 88 34.821 32.955 1.866 1
1 961 . 20 1 1 A 88 88 LYS C C 88 177.529 176.601 0.928 1
1 966 . 20 1 1 A 89 89 THR N N 89 114.134 117.011 -2.877 1
1 967 . 20 1 1 A 89 89 THR H H 89 8.588 8.633 -0.045 1
1 968 . 20 1 1 A 89 89 THR CA C 89 62.828 61.966 0.862 1
1 969 . 20 1 1 A 89 89 THR HA H 89 4.083 4.658 -0.575 1
1 970 . 20 1 1 A 89 89 THR CB C 89 69.590 70.372 -0.782 1
1 976 . 20 1 1 A 89 89 THR C C 89 174.269 174.058 0.211 1
1 977 . 20 1 1 A 90 90 GLY N N 90 109.440 108.401 1.039 1
1 978 . 20 1 1 A 90 90 GLY H H 90 8.444 8.521 -0.077 1
1 979 . 20 1 1 A 90 90 GLY CA C 90 44.648 44.349 0.299 1
1 980 . 20 1 1 A 90 90 GLY HA3 H 90 4.467 4.172 0.295 1
1 981 . 20 1 1 A 90 90 GLY C C 90 172.469 173.171 -0.702 1
1 982 . 20 1 1 A 90 90 GLY HA2 H 90 3.908 4.113 -0.205 1
1 983 . 20 1 1 A 91 91 ARG N N 91 120.781 120.601 0.180 1
1 984 . 20 1 1 A 91 91 ARG H H 91 8.271 8.263 0.008 1
1 985 . 20 1 1 A 91 91 ARG CA C 91 56.178 55.469 0.709 1
1 986 . 20 1 1 A 91 91 ARG HA H 91 4.951 5.108 -0.157 1
1 987 . 20 1 1 A 91 91 ARG CB C 91 31.986 31.543 0.443 1
1 993 . 20 1 1 A 91 91 ARG C C 91 175.711 174.706 1.005 1
1 997 . 20 1 1 A 92 92 TYR N N 92 122.381 122.003 0.378 1
1 998 . 20 1 1 A 92 92 TYR H H 92 9.312 9.122 0.190 1
1 999 . 20 1 1 A 92 92 TYR CA C 92 56.886 56.416 0.470 1
1 1000 . 20 1 1 A 92 92 TYR HA H 92 4.960 5.025 -0.065 1
1 1001 . 20 1 1 A 92 92 TYR CB C 92 41.223 41.185 0.038 1
1 1011 . 20 1 1 A 92 92 TYR C C 92 174.902 174.428 0.474 1
1 1013 . 20 1 1 A 93 93 MET N N 93 121.210 124.298 -3.088 1
1 1014 . 20 1 1 A 93 93 MET H H 93 8.819 8.573 0.246 1
1 1015 . 20 1 1 A 93 93 MET CA C 93 53.745 54.094 -0.349 1
1 1016 . 20 1 1 A 93 93 MET HA H 93 5.346 5.312 0.034 1
1 1017 . 20 1 1 A 93 93 MET CB C 93 34.220 35.036 -0.816 1
1 1025 . 20 1 1 A 93 93 MET C C 93 175.365 174.517 0.848 1
1 1028 . 20 1 1 A 94 94 ILE N N 94 125.747 126.777 -1.030 1
1 1029 . 20 1 1 A 94 94 ILE H H 94 9.372 8.961 0.411 1
1 1030 . 20 1 1 A 94 94 ILE CA C 94 60.685 59.617 1.068 1
1 1031 . 20 1 1 A 94 94 ILE HA H 94 4.606 5.360 -0.754 1
1 1032 . 20 1 1 A 94 94 ILE CB C 94 39.188 40.623 -1.435 1
1 1044 . 20 1 1 A 94 94 ILE C C 94 174.987 175.216 -0.229 1
1 1046 . 20 1 1 A 95 95 GLY N N 95 116.553 115.037 1.516 1
1 1047 . 20 1 1 A 95 95 GLY H H 95 9.509 8.950 0.559 1
1 1048 . 20 1 1 A 95 95 GLY CA C 95 44.507 45.442 -0.935 1
1 1049 . 20 1 1 A 95 95 GLY HA3 H 95 3.605 4.235 -0.630 1
1 1050 . 20 1 1 A 95 95 GLY C C 95 173.175 171.468 1.707 1
1 1051 . 20 1 1 A 95 95 GLY HA2 H 95 4.606 4.187 0.419 1
1 1052 . 20 1 1 A 96 96 VAL N N 96 127.036 128.387 -1.351 1
1 1053 . 20 1 1 A 96 96 VAL H H 96 9.299 8.977 0.322 1
1 1054 . 20 1 1 A 96 96 VAL CA C 96 61.308 62.505 -1.197 1
1 1055 . 20 1 1 A 96 96 VAL HA H 96 4.889 4.643 0.246 1
1 1056 . 20 1 1 A 96 96 VAL CB C 96 34.145 32.758 1.387 1
1 1066 . 20 1 1 A 96 96 VAL C C 96 174.354 175.514 -1.160 1
1 1067 . 20 1 1 A 97 97 THR N N 97 115.219 118.158 -2.939 1
1 1068 . 20 1 1 A 97 97 THR H H 97 9.018 8.935 0.083 1
1 1069 . 20 1 1 A 97 97 THR CA C 97 57.826 59.622 -1.796 1
1 1070 . 20 1 1 A 97 97 THR HA H 97 5.265 5.408 -0.143 1
1 1071 . 20 1 1 A 97 97 THR CB C 97 72.753 71.832 0.921 1
1 1077 . 20 1 1 A 97 97 THR C C 97 173.175 172.865 0.310 1
1 1078 . 20 1 1 A 98 98 TYR N N 98 122.768 124.787 -2.019 1
1 1079 . 20 1 1 A 98 98 TYR H H 98 9.149 9.254 -0.105 1
1 1080 . 20 1 1 A 98 98 TYR CA C 98 57.488 57.311 0.177 1
1 1081 . 20 1 1 A 98 98 TYR HA H 98 5.077 5.131 -0.054 1
1 1082 . 20 1 1 A 98 98 TYR CB C 98 43.122 41.401 1.721 1
1 1092 . 20 1 1 A 98 98 TYR C C 98 175.949 175.457 0.492 1
1 1094 . 20 1 1 A 99 99 GLY N N 99 113.994 115.173 -1.179 1
1 1095 . 20 1 1 A 99 99 GLY H H 99 8.402 8.716 -0.314 1
1 1096 . 20 1 1 A 99 99 GLY CA C 99 45.010 46.632 -1.622 1
1 1097 . 20 1 1 A 99 99 GLY HA3 H 99 2.623 3.477 -0.854 1
1 1098 . 20 1 1 A 99 99 GLY C C 99 174.197 175.347 -1.150 1
1 1099 . 20 1 1 A 99 99 GLY HA2 H 99 3.220 3.364 -0.144 1
1 1100 . 20 1 1 A 100 100 GLY N N 100 103.115 106.077 -2.962 1
1 1101 . 20 1 1 A 100 100 GLY H H 100 8.288 8.638 -0.350 1
1 1102 . 20 1 1 A 100 100 GLY CA C 100 44.170 46.450 -2.280 1
1 1103 . 20 1 1 A 100 100 GLY HA3 H 100 4.265 3.918 0.347 1
1 1104 . 20 1 1 A 100 100 GLY C C 100 173.054 173.348 -0.294 1
1 1105 . 20 1 1 A 100 100 GLY HA2 H 100 3.284 3.902 -0.618 1
1 1106 . 20 1 1 A 101 101 ASP N N 101 120.566 119.688 0.878 1
1 1107 . 20 1 1 A 101 101 ASP H H 101 7.245 7.964 -0.719 1
1 1108 . 20 1 1 A 101 101 ASP CA C 101 52.908 53.228 -0.320 1
1 1109 . 20 1 1 A 101 101 ASP HA H 101 5.012 5.117 -0.105 1
1 1110 . 20 1 1 A 101 101 ASP CB C 101 42.831 44.189 -1.358 1
1 1112 . 20 1 1 A 101 101 ASP C C 101 175.182 174.861 0.321 1
1 1114 . 20 1 1 A 102 102 ASP N N 102 122.668 124.325 -1.657 1
1 1115 . 20 1 1 A 102 102 ASP H H 102 8.597 8.734 -0.137 1
1 1116 . 20 1 1 A 102 102 ASP CA C 102 56.233 54.470 1.763 1
1 1117 . 20 1 1 A 102 102 ASP HA H 102 4.667 4.792 -0.125 1
1 1118 . 20 1 1 A 102 102 ASP CB C 102 42.373 41.741 0.632 1
1 1120 . 20 1 1 A 102 102 ASP C C 102 176.970 176.418 0.552 1
1 1122 . 20 1 1 A 103 103 ILE N N 103 117.672 119.565 -1.893 1
1 1123 . 20 1 1 A 103 103 ILE H H 103 7.887 8.351 -0.464 1
1 1124 . 20 1 1 A 103 103 ILE CA C 103 61.025 59.426 1.599 1
1 1125 . 20 1 1 A 103 103 ILE HA H 103 4.526 4.677 -0.151 1
1 1126 . 20 1 1 A 103 103 ILE CB C 103 35.534 37.678 -2.144 1
1 1138 . 20 1 1 A 103 103 ILE C C 103 173.902 176.466 -2.564 1
1 1140 . 20 1 1 A 104 104 PRO CA C 104 66.456 64.109 2.347 1
1 1141 . 20 1 1 A 104 104 PRO HA H 104 4.177 4.512 -0.335 1
1 1142 . 20 1 1 A 104 104 PRO CB C 104 31.709 31.494 0.215 1
1 1151 . 20 1 1 A 105 105 LEU N N 105 115.386 117.676 -2.290 1
1 1152 . 20 1 1 A 105 105 LEU H H 105 8.464 7.848 0.616 1
1 1153 . 20 1 1 A 105 105 LEU CA C 105 55.294 55.550 -0.256 1
1 1154 . 20 1 1 A 105 105 LEU HA H 105 3.845 4.275 -0.430 1
1 1155 . 20 1 1 A 105 105 LEU CB C 105 39.148 42.583 -3.435 1
1 1168 . 20 1 1 A 106 106 SER N N 106 111.669 113.441 -1.772 1
1 1169 . 20 1 1 A 106 106 SER H H 106 7.338 7.197 0.141 1
1 1170 . 20 1 1 A 106 106 SER CA C 106 54.750 56.633 -1.883 1
1 1171 . 20 1 1 A 106 106 SER HA H 106 4.347 4.405 -0.058 1
1 1172 . 20 1 1 A 106 106 SER CB C 106 64.133 63.360 0.773 1
1 1175 . 20 1 1 A 107 107 PRO CA C 107 62.344 62.370 -0.026 1
1 1176 . 20 1 1 A 107 107 PRO HA H 107 5.323 4.852 0.471 1
1 1177 . 20 1 1 A 107 107 PRO CB C 107 33.977 32.979 0.998 1
1 1183 . 20 1 1 A 107 107 PRO C C 107 176.003 174.824 1.179 1
1 1187 . 20 1 1 A 108 108 TYR N N 108 122.832 119.468 3.364 1
1 1188 . 20 1 1 A 108 108 TYR H H 108 9.294 8.775 0.519 1
1 1189 . 20 1 1 A 108 108 TYR CA C 108 57.629 56.856 0.773 1
1 1190 . 20 1 1 A 108 108 TYR HA H 108 4.428 4.869 -0.441 1
1 1191 . 20 1 1 A 108 108 TYR CB C 108 40.091 40.549 -0.458 1
1 1201 . 20 1 1 A 108 108 TYR C C 108 175.851 175.796 0.055 1
1 1203 . 20 1 1 A 109 109 ARG N N 109 122.941 123.170 -0.229 1
1 1204 . 20 1 1 A 109 109 ARG H H 109 8.746 8.539 0.207 1
1 1205 . 20 1 1 A 109 109 ARG CA C 109 55.259 55.942 -0.683 1
1 1206 . 20 1 1 A 109 109 ARG HA H 109 5.189 4.543 0.646 1
1 1207 . 20 1 1 A 109 109 ARG CB C 109 30.879 30.694 0.185 1
1 1213 . 20 1 1 A 109 109 ARG C C 109 175.522 175.818 -0.296 1
1 1217 . 20 1 1 A 110 110 ILE N N 110 125.109 122.738 2.371 1
1 1218 . 20 1 1 A 110 110 ILE H H 110 8.742 8.318 0.424 1
1 1219 . 20 1 1 A 110 110 ILE CA C 110 57.577 59.840 -2.263 1
1 1220 . 20 1 1 A 110 110 ILE HA H 110 4.758 4.777 -0.019 1
1 1221 . 20 1 1 A 110 110 ILE CB C 110 41.138 42.541 -1.403 1
1 1233 . 20 1 1 A 110 110 ILE C C 110 175.121 174.802 0.319 1
1 1235 . 20 1 1 A 111 111 ARG N N 111 125.357 124.745 0.612 1
1 1236 . 20 1 1 A 111 111 ARG H H 111 8.776 8.704 0.072 1
1 1237 . 20 1 1 A 111 111 ARG CA C 111 54.730 54.237 0.493 1
1 1238 . 20 1 1 A 111 111 ARG HA H 111 5.053 5.211 -0.158 1
1 1239 . 20 1 1 A 111 111 ARG CB C 111 32.685 32.735 -0.050 1
1 1245 . 20 1 1 A 111 111 ARG C C 111 174.163 175.047 -0.884 1
1 1249 . 20 1 1 A 112 112 ALA N N 112 127.119 127.725 -0.606 1
1 1250 . 20 1 1 A 112 112 ALA H H 112 9.208 8.532 0.676 1
1 1251 . 20 1 1 A 112 112 ALA CA C 112 49.945 51.698 -1.753 1
1 1252 . 20 1 1 A 112 112 ALA HA H 112 5.851 4.808 1.043 1
1 1253 . 20 1 1 A 112 112 ALA CB C 112 21.329 19.211 2.118 1
1 1257 . 20 1 1 A 112 112 ALA C C 112 178.853 176.895 1.958 1
1 1258 . 20 1 1 A 113 113 THR N N 113 116.033 116.336 -0.303 1
1 1259 . 20 1 1 A 113 113 THR H H 113 8.995 8.467 0.528 1
1 1260 . 20 1 1 A 113 113 THR CA C 113 60.312 61.586 -1.274 1
1 1261 . 20 1 1 A 113 113 THR HA H 113 4.695 4.594 0.101 1
1 1262 . 20 1 1 A 113 113 THR CB C 113 71.251 69.094 2.157 1
1 1268 . 20 1 1 A 113 113 THR C C 113 173.710 173.747 -0.037 1
1 1269 . 20 1 1 A 114 114 GLN N N 114 122.122 126.753 -4.631 1
1 1270 . 20 1 1 A 114 114 GLN H H 114 8.753 8.914 -0.161 1
1 1271 . 20 1 1 A 114 114 GLN CA C 114 55.817 55.668 0.149 1
1 1272 . 20 1 1 A 114 114 GLN HA H 114 4.570 4.667 -0.097 1
1 1273 . 20 1 1 A 114 114 GLN CB C 114 30.106 29.913 0.193 1
1 1280 . 20 1 1 A 114 114 GLN C C 114 176.106 174.472 1.634 1
1 1283 . 20 1 1 A 115 115 THR N N 115 117.345 121.391 -4.046 1
1 1284 . 20 1 1 A 115 115 THR H H 115 8.493 8.831 -0.338 1
1 1285 . 20 1 1 A 115 115 THR CA C 115 62.328 60.534 1.794 1
1 1286 . 20 1 1 A 115 115 THR HA H 115 4.351 4.814 -0.463 1
1 1287 . 20 1 1 A 115 115 THR CB C 115 69.874 70.718 -0.844 1
1 1293 . 20 1 1 A 115 115 THR C C 115 175.158 175.141 0.017 1
1 1294 . 20 1 1 A 116 116 GLY N N 116 111.927 113.667 -1.740 1
1 1295 . 20 1 1 A 116 116 GLY H H 116 8.559 8.792 -0.233 1
1 1296 . 20 1 1 A 116 116 GLY CA C 116 45.315 47.316 -2.001 1
1 1297 . 20 1 1 A 116 116 GLY HA3 H 116 3.934 3.861 0.073 1
1 1298 . 20 1 1 A 116 116 GLY C C 116 173.820 174.386 -0.566 1
1 1299 . 20 1 1 A 116 116 GLY HA2 H 116 4.030 3.859 0.171 1
1 1300 . 20 1 1 A 117 117 ASP N N 117 120.643 117.506 3.137 1
1 1301 . 20 1 1 A 117 117 ASP H H 117 8.208 7.995 0.213 1
1 1302 . 20 1 1 A 117 117 ASP CA C 117 54.393 54.149 0.244 1
1 1303 . 20 1 1 A 117 117 ASP HA H 117 4.615 4.644 -0.029 1
1 1304 . 20 1 1 A 117 117 ASP CB C 117 41.388 40.811 0.577 1
1 1306 . 20 1 1 A 117 117 ASP C C 117 175.973 176.142 -0.169 1
1 1308 . 20 1 1 A 118 118 ALA N N 118 124.934 128.098 -3.164 1
1 1309 . 20 1 1 A 118 118 ALA H H 118 8.312 8.584 -0.272 1
1 1310 . 20 1 1 A 118 118 ALA CA C 118 52.447 51.753 0.694 1
1 1311 . 20 1 1 A 118 118 ALA HA H 118 4.415 4.562 -0.147 1
1 1312 . 20 1 1 A 118 118 ALA CB C 118 19.339 20.415 -1.076 1
1 1316 . 20 1 1 A 118 118 ALA C C 118 176.848 176.530 0.318 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 106 1.089 1
2 1 1 1 "RMS(OBS, PRED)" CA 109 1.220 1
3 1 1 1 "RMS(OBS, PRED)" CB 97 1.289 1
4 1 1 1 "RMS(OBS, PRED)" H 100 0.519 1
5 1 1 1 "RMS(OBS, PRED)" HA 122 0.374 1
6 1 1 1 "RMS(OBS, PRED)" N 100 2.807 1
7 1 2 1 "RMS(OBS, PRED)" C 106 1.103 1
8 1 2 1 "RMS(OBS, PRED)" CA 109 1.194 1
9 1 2 1 "RMS(OBS, PRED)" CB 97 1.399 1
10 1 2 1 "RMS(OBS, PRED)" H 100 0.523 1
11 1 2 1 "RMS(OBS, PRED)" HA 122 0.397 1
12 1 2 1 "RMS(OBS, PRED)" N 100 2.362 1
13 1 3 1 "RMS(OBS, PRED)" C 106 1.062 1
14 1 3 1 "RMS(OBS, PRED)" CA 109 1.204 1
15 1 3 1 "RMS(OBS, PRED)" CB 97 1.436 1
16 1 3 1 "RMS(OBS, PRED)" H 100 0.526 1
17 1 3 1 "RMS(OBS, PRED)" HA 122 0.397 1
18 1 3 1 "RMS(OBS, PRED)" N 100 2.490 1
19 1 4 1 "RMS(OBS, PRED)" C 106 1.071 1
20 1 4 1 "RMS(OBS, PRED)" CA 109 1.231 1
21 1 4 1 "RMS(OBS, PRED)" CB 97 1.417 1
22 1 4 1 "RMS(OBS, PRED)" H 100 0.501 1
23 1 4 1 "RMS(OBS, PRED)" HA 122 0.408 1
24 1 4 1 "RMS(OBS, PRED)" N 100 2.632 1
25 1 5 1 "RMS(OBS, PRED)" C 106 1.091 1
26 1 5 1 "RMS(OBS, PRED)" CA 109 1.285 1
27 1 5 1 "RMS(OBS, PRED)" CB 97 1.279 1
28 1 5 1 "RMS(OBS, PRED)" H 100 0.521 1
29 1 5 1 "RMS(OBS, PRED)" HA 122 0.391 1
30 1 5 1 "RMS(OBS, PRED)" N 100 2.295 1
31 1 6 1 "RMS(OBS, PRED)" C 106 1.111 1
32 1 6 1 "RMS(OBS, PRED)" CA 109 1.219 1
33 1 6 1 "RMS(OBS, PRED)" CB 97 1.344 1
34 1 6 1 "RMS(OBS, PRED)" H 100 0.518 1
35 1 6 1 "RMS(OBS, PRED)" HA 122 0.389 1
36 1 6 1 "RMS(OBS, PRED)" N 100 2.495 1
37 1 7 1 "RMS(OBS, PRED)" C 106 1.133 1
38 1 7 1 "RMS(OBS, PRED)" CA 109 1.135 1
39 1 7 1 "RMS(OBS, PRED)" CB 97 1.441 1
40 1 7 1 "RMS(OBS, PRED)" H 100 0.515 1
41 1 7 1 "RMS(OBS, PRED)" HA 122 0.408 1
42 1 7 1 "RMS(OBS, PRED)" N 100 2.422 1
43 1 8 1 "RMS(OBS, PRED)" C 106 1.157 1
44 1 8 1 "RMS(OBS, PRED)" CA 109 1.157 1
45 1 8 1 "RMS(OBS, PRED)" CB 97 1.381 1
46 1 8 1 "RMS(OBS, PRED)" H 100 0.540 1
47 1 8 1 "RMS(OBS, PRED)" HA 122 0.368 1
48 1 8 1 "RMS(OBS, PRED)" N 100 2.573 1
49 1 9 1 "RMS(OBS, PRED)" C 106 1.123 1
50 1 9 1 "RMS(OBS, PRED)" CA 109 1.146 1
51 1 9 1 "RMS(OBS, PRED)" CB 97 1.414 1
52 1 9 1 "RMS(OBS, PRED)" H 100 0.526 1
53 1 9 1 "RMS(OBS, PRED)" HA 122 0.395 1
54 1 9 1 "RMS(OBS, PRED)" N 100 2.463 1
55 1 10 1 "RMS(OBS, PRED)" C 106 1.089 1
56 1 10 1 "RMS(OBS, PRED)" CA 109 1.249 1
57 1 10 1 "RMS(OBS, PRED)" CB 97 1.431 1
58 1 10 1 "RMS(OBS, PRED)" H 100 0.528 1
59 1 10 1 "RMS(OBS, PRED)" HA 122 0.403 1
60 1 10 1 "RMS(OBS, PRED)" N 100 2.656 1
61 1 11 1 "RMS(OBS, PRED)" C 106 1.131 1
62 1 11 1 "RMS(OBS, PRED)" CA 109 1.214 1
63 1 11 1 "RMS(OBS, PRED)" CB 97 1.409 1
64 1 11 1 "RMS(OBS, PRED)" H 100 0.551 1
65 1 11 1 "RMS(OBS, PRED)" HA 122 0.415 1
66 1 11 1 "RMS(OBS, PRED)" N 100 2.709 1
67 1 12 1 "RMS(OBS, PRED)" C 106 1.076 1
68 1 12 1 "RMS(OBS, PRED)" CA 109 1.212 1
69 1 12 1 "RMS(OBS, PRED)" CB 97 1.282 1
70 1 12 1 "RMS(OBS, PRED)" H 100 0.541 1
71 1 12 1 "RMS(OBS, PRED)" HA 122 0.393 1
72 1 12 1 "RMS(OBS, PRED)" N 100 2.376 1
73 1 13 1 "RMS(OBS, PRED)" C 106 1.201 1
74 1 13 1 "RMS(OBS, PRED)" CA 109 1.287 1
75 1 13 1 "RMS(OBS, PRED)" CB 97 1.490 1
76 1 13 1 "RMS(OBS, PRED)" H 100 0.566 1
77 1 13 1 "RMS(OBS, PRED)" HA 122 0.422 1
78 1 13 1 "RMS(OBS, PRED)" N 100 2.592 1
79 1 14 1 "RMS(OBS, PRED)" C 106 1.087 1
80 1 14 1 "RMS(OBS, PRED)" CA 109 1.170 1
81 1 14 1 "RMS(OBS, PRED)" CB 97 1.408 1
82 1 14 1 "RMS(OBS, PRED)" H 100 0.529 1
83 1 14 1 "RMS(OBS, PRED)" HA 122 0.388 1
84 1 14 1 "RMS(OBS, PRED)" N 100 2.487 1
85 1 15 1 "RMS(OBS, PRED)" C 106 1.171 1
86 1 15 1 "RMS(OBS, PRED)" CA 109 1.224 1
87 1 15 1 "RMS(OBS, PRED)" CB 97 1.366 1
88 1 15 1 "RMS(OBS, PRED)" H 100 0.536 1
89 1 15 1 "RMS(OBS, PRED)" HA 122 0.385 1
90 1 15 1 "RMS(OBS, PRED)" N 100 2.653 1
91 1 16 1 "RMS(OBS, PRED)" C 106 1.135 1
92 1 16 1 "RMS(OBS, PRED)" CA 109 1.247 1
93 1 16 1 "RMS(OBS, PRED)" CB 97 1.406 1
94 1 16 1 "RMS(OBS, PRED)" H 100 0.551 1
95 1 16 1 "RMS(OBS, PRED)" HA 122 0.422 1
96 1 16 1 "RMS(OBS, PRED)" N 100 2.441 1
97 1 17 1 "RMS(OBS, PRED)" C 106 1.145 1
98 1 17 1 "RMS(OBS, PRED)" CA 109 1.290 1
99 1 17 1 "RMS(OBS, PRED)" CB 97 1.306 1
100 1 17 1 "RMS(OBS, PRED)" H 100 0.515 1
101 1 17 1 "RMS(OBS, PRED)" HA 122 0.379 1
102 1 17 1 "RMS(OBS, PRED)" N 100 2.608 1
103 1 18 1 "RMS(OBS, PRED)" C 106 1.124 1
104 1 18 1 "RMS(OBS, PRED)" CA 109 1.131 1
105 1 18 1 "RMS(OBS, PRED)" CB 97 1.432 1
106 1 18 1 "RMS(OBS, PRED)" H 100 0.502 1
107 1 18 1 "RMS(OBS, PRED)" HA 122 0.382 1
108 1 18 1 "RMS(OBS, PRED)" N 100 2.617 1
109 1 19 1 "RMS(OBS, PRED)" C 106 1.107 1
110 1 19 1 "RMS(OBS, PRED)" CA 109 1.185 1
111 1 19 1 "RMS(OBS, PRED)" CB 97 1.468 1
112 1 19 1 "RMS(OBS, PRED)" H 100 0.527 1
113 1 19 1 "RMS(OBS, PRED)" HA 122 0.406 1
114 1 19 1 "RMS(OBS, PRED)" N 100 2.330 1
115 1 20 1 "RMS(OBS, PRED)" C 106 1.095 1
116 1 20 1 "RMS(OBS, PRED)" CA 109 1.166 1
117 1 20 1 "RMS(OBS, PRED)" CB 97 1.398 1
118 1 20 1 "RMS(OBS, PRED)" H 100 0.528 1
119 1 20 1 "RMS(OBS, PRED)" HA 122 0.383 1
120 1 20 1 "RMS(OBS, PRED)" N 100 2.436 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 9 9 SER HA H 9 4.733 4.906 -0.173 2
1 2 . 1 1 A 10 10 PRO CA C 10 63.335 62.754 0.581 2
1 3 . 1 1 A 10 10 PRO HA H 10 4.399 4.617 -0.218 2
1 4 . 1 1 A 10 10 PRO CB C 10 31.938 32.586 -0.648 2
1 10 . 1 1 A 10 10 PRO C C 10 176.442 176.045 0.397 2
1 14 . 1 1 A 11 11 PHE N N 11 119.801 118.944 0.857 2
1 15 . 1 1 A 11 11 PHE H H 11 8.036 8.447 -0.411 2
1 16 . 1 1 A 11 11 PHE CA C 11 57.505 56.834 0.671 2
1 17 . 1 1 A 11 11 PHE HA H 11 4.606 4.930 -0.324 2
1 18 . 1 1 A 11 11 PHE CB C 11 39.592 40.941 -1.349 2
1 30 . 1 1 A 11 11 PHE C C 11 175.401 174.547 0.854 2
1 32 . 1 1 A 12 12 LYS N N 12 123.563 121.390 2.173 2
1 33 . 1 1 A 12 12 LYS H H 12 8.112 8.601 -0.489 2
1 34 . 1 1 A 12 12 LYS CA C 12 56.175 55.069 1.106 2
1 35 . 1 1 A 12 12 LYS HA H 12 4.322 4.734 -0.412 2
1 36 . 1 1 A 12 12 LYS CB C 12 33.352 34.549 -1.197 2
1 44 . 1 1 A 12 12 LYS C C 12 175.802 175.256 0.545 2
1 49 . 1 1 A 13 13 VAL N N 13 122.071 121.375 0.696 2
1 50 . 1 1 A 13 13 VAL H H 13 8.080 8.347 -0.267 2
1 51 . 1 1 A 13 13 VAL CA C 13 62.280 61.536 0.744 2
1 52 . 1 1 A 13 13 VAL HA H 13 4.036 4.438 -0.402 2
1 53 . 1 1 A 13 13 VAL CB C 13 32.895 33.702 -0.807 2
1 63 . 1 1 A 13 13 VAL C C 13 175.814 175.119 0.695 2
1 64 . 1 1 A 14 14 LYS N N 14 125.874 126.216 -0.342 2
1 65 . 1 1 A 14 14 LYS H H 14 8.392 8.651 -0.259 2
1 66 . 1 1 A 14 14 LYS CA C 14 56.250 55.366 0.884 2
1 67 . 1 1 A 14 14 LYS HA H 14 4.322 4.758 -0.436 2
1 68 . 1 1 A 14 14 LYS CB C 14 33.193 33.555 -0.362 2
1 73 . 1 1 A 14 14 LYS C C 14 175.973 175.471 0.502 2
1 75 . 1 1 A 15 15 VAL N N 15 123.129 118.558 4.571 2
1 76 . 1 1 A 15 15 VAL H H 15 8.204 8.456 -0.252 2
1 77 . 1 1 A 15 15 VAL CA C 15 62.033 59.258 2.776 2
1 78 . 1 1 A 15 15 VAL HA H 15 4.100 4.804 -0.704 2
1 79 . 1 1 A 15 15 VAL CB C 15 32.858 35.179 -2.321 2
1 89 . 1 1 A 15 15 VAL C C 15 175.717 175.193 0.524 2
1 90 . 1 1 A 16 16 LEU N N 16 127.971 122.356 5.615 2
1 91 . 1 1 A 16 16 LEU H H 16 8.378 8.384 -0.006 2
1 92 . 1 1 A 16 16 LEU CA C 16 52.885 53.424 -0.539 2
1 93 . 1 1 A 16 16 LEU HA H 16 4.624 4.424 0.200 2
1 94 . 1 1 A 16 16 LEU CB C 16 41.706 41.836 -0.130 2
1 106 . 1 1 A 16 16 LEU C C 16 175.092 175.364 -0.272 2
1 108 . 1 1 A 17 17 PRO CA C 17 62.704 62.367 0.337 2
1 109 . 1 1 A 17 17 PRO HA H 17 4.556 4.635 -0.079 2
1 110 . 1 1 A 17 17 PRO CB C 17 32.293 32.832 -0.539 2
1 116 . 1 1 A 17 17 PRO C C 17 177.319 176.956 0.363 2
1 120 . 1 1 A 18 18 THR N N 18 112.726 114.017 -1.291 2
1 121 . 1 1 A 18 18 THR H H 18 8.497 8.682 -0.185 2
1 122 . 1 1 A 18 18 THR CA C 18 62.335 63.840 -1.505 2
1 123 . 1 1 A 18 18 THR HA H 18 4.352 4.278 0.074 2
1 124 . 1 1 A 18 18 THR CB C 18 69.700 69.230 0.470 2
1 130 . 1 1 A 18 18 THR C C 18 173.418 174.727 -1.309 2
1 131 . 1 1 A 19 19 TYR N N 19 118.883 120.067 -1.184 2
1 132 . 1 1 A 19 19 TYR H H 19 7.244 7.753 -0.509 2
1 133 . 1 1 A 19 19 TYR CA C 19 55.270 57.757 -2.487 2
1 134 . 1 1 A 19 19 TYR HA H 19 5.404 4.743 0.661 2
1 135 . 1 1 A 19 19 TYR CB C 19 40.974 39.955 1.019 2
1 145 . 1 1 A 19 19 TYR C C 19 174.318 174.859 -0.541 2
1 147 . 1 1 A 20 20 ASP N N 20 118.193 119.860 -1.667 2
1 148 . 1 1 A 20 20 ASP H H 20 8.686 9.083 -0.397 2
1 149 . 1 1 A 20 20 ASP CA C 20 53.226 53.318 -0.092 2
1 150 . 1 1 A 20 20 ASP HA H 20 4.539 5.080 -0.541 2
1 151 . 1 1 A 20 20 ASP CB C 20 41.490 43.993 -2.503 2
1 153 . 1 1 A 20 20 ASP C C 20 176.349 176.073 0.276 2
1 155 . 1 1 A 21 21 ALA N N 21 127.255 127.699 -0.444 2
1 156 . 1 1 A 21 21 ALA H H 21 9.404 9.136 0.268 2
1 157 . 1 1 A 21 21 ALA CA C 21 55.157 55.549 -0.392 2
1 158 . 1 1 A 21 21 ALA HA H 21 4.204 4.158 0.046 2
1 159 . 1 1 A 21 21 ALA CB C 21 19.890 18.434 1.456 2
1 163 . 1 1 A 21 21 ALA C C 21 178.113 179.733 -1.620 2
1 164 . 1 1 A 22 22 SER N N 22 110.959 113.369 -2.410 2
1 165 . 1 1 A 22 22 SER H H 22 8.397 8.168 0.229 2
1 166 . 1 1 A 22 22 SER CA C 22 60.794 61.331 -0.537 2
1 167 . 1 1 A 22 22 SER HA H 22 4.363 4.239 0.124 2
1 168 . 1 1 A 22 22 SER CB C 22 62.850 62.965 -0.115 2
1 170 . 1 1 A 22 22 SER C C 22 175.425 175.750 -0.325 2
1 172 . 1 1 A 23 23 LYS N N 23 119.671 117.528 2.143 2
1 173 . 1 1 A 23 23 LYS H H 23 7.366 7.512 -0.146 2
1 174 . 1 1 A 23 23 LYS CA C 23 54.818 56.015 -1.197 2
1 175 . 1 1 A 23 23 LYS HA H 23 4.368 4.364 0.004 2
1 176 . 1 1 A 23 23 LYS CB C 23 33.063 32.536 0.527 2
1 184 . 1 1 A 23 23 LYS C C 23 176.544 174.854 1.690 2
1 189 . 1 1 A 24 24 VAL N N 24 123.377 120.057 3.320 2
1 190 . 1 1 A 24 24 VAL H H 24 7.392 7.559 -0.167 2
1 191 . 1 1 A 24 24 VAL CA C 24 62.722 61.301 1.421 2
1 192 . 1 1 A 24 24 VAL HA H 24 4.184 4.546 -0.362 2
1 193 . 1 1 A 24 24 VAL CB C 24 31.780 33.668 -1.888 2
1 203 . 1 1 A 24 24 VAL C C 24 175.644 175.293 0.351 2
1 204 . 1 1 A 25 25 THR N N 25 117.441 117.927 -0.486 2
1 205 . 1 1 A 25 25 THR H H 25 8.384 8.857 -0.473 2
1 206 . 1 1 A 25 25 THR CA C 25 59.858 59.835 0.023 2
1 207 . 1 1 A 25 25 THR HA H 25 4.784 5.265 -0.481 2
1 208 . 1 1 A 25 25 THR CB C 25 71.687 72.160 -0.473 2
1 214 . 1 1 A 25 25 THR C C 25 172.360 173.263 -0.903 2
1 215 . 1 1 A 26 26 ALA N N 26 123.956 124.335 -0.379 2
1 216 . 1 1 A 26 26 ALA H H 26 8.440 8.836 -0.396 2
1 217 . 1 1 A 26 26 ALA CA C 26 51.022 50.665 0.357 2
1 218 . 1 1 A 26 26 ALA HA H 26 5.575 5.489 0.086 2
1 219 . 1 1 A 26 26 ALA CB C 26 22.576 23.388 -0.812 2
1 223 . 1 1 A 26 26 ALA C C 26 176.301 175.499 0.802 2
1 224 . 1 1 A 27 27 SER N N 27 114.430 114.647 -0.217 2
1 225 . 1 1 A 27 27 SER H H 27 9.021 8.656 0.365 2
1 226 . 1 1 A 27 27 SER CA C 27 57.771 57.266 0.505 2
1 227 . 1 1 A 27 27 SER HA H 27 4.745 5.306 -0.561 2
1 228 . 1 1 A 27 27 SER CB C 27 65.911 67.187 -1.276 2
1 230 . 1 1 A 27 27 SER C C 27 172.798 173.109 -0.311 2
1 232 . 1 1 A 28 28 GLY N N 28 108.618 109.790 -1.172 2
1 233 . 1 1 A 28 28 GLY H H 28 8.516 8.436 0.080 2
1 234 . 1 1 A 28 28 GLY CA C 28 44.966 44.569 0.397 2
1 235 . 1 1 A 28 28 GLY HA3 H 28 4.102 4.295 -0.193 2
1 236 . 1 1 A 28 28 GLY C C 28 173.392 174.167 -0.775 2
1 237 . 1 1 A 28 28 GLY HA2 H 28 5.026 4.250 0.776 2
1 238 . 1 1 A 29 29 PRO CA C 29 65.446 65.022 0.424 2
1 239 . 1 1 A 29 29 PRO HA H 29 4.399 4.436 -0.037 2
1 240 . 1 1 A 29 29 PRO CB C 29 31.739 32.068 -0.329 2
1 246 . 1 1 A 29 29 PRO C C 29 179.804 178.593 1.211 2
1 250 . 1 1 A 30 30 GLY N N 30 103.199 106.007 -2.808 2
1 251 . 1 1 A 30 30 GLY H H 30 9.156 8.545 0.611 2
1 252 . 1 1 A 30 30 GLY CA C 30 46.458 47.039 -0.581 2
1 253 . 1 1 A 30 30 GLY HA3 H 30 3.331 4.356 -1.026 2
1 254 . 1 1 A 30 30 GLY C C 30 171.694 174.841 -3.147 2
1 255 . 1 1 A 30 30 GLY HA2 H 30 4.062 4.208 -0.146 2
1 256 . 1 1 A 31 31 LEU N N 31 116.112 119.691 -3.579 2
1 257 . 1 1 A 31 31 LEU H H 31 7.351 7.789 -0.438 2
1 258 . 1 1 A 31 31 LEU CA C 31 52.607 54.283 -1.677 2
1 259 . 1 1 A 31 31 LEU HA H 31 4.269 4.568 -0.299 2
1 260 . 1 1 A 31 31 LEU CB C 31 41.265 41.962 -0.697 2
1 272 . 1 1 A 31 31 LEU C C 31 176.751 176.289 0.462 2
1 274 . 1 1 A 32 32 SER N N 32 114.056 117.763 -3.707 2
1 275 . 1 1 A 32 32 SER H H 32 6.986 7.809 -0.823 2
1 276 . 1 1 A 32 32 SER CA C 32 58.750 58.239 0.511 2
1 277 . 1 1 A 32 32 SER HA H 32 4.268 4.434 -0.166 2
1 278 . 1 1 A 32 32 SER CB C 32 64.571 64.122 0.449 2
1 280 . 1 1 A 32 32 SER C C 32 176.483 175.483 1.000 2
1 282 . 1 1 A 33 33 SER N N 33 123.249 123.502 -0.253 2
1 283 . 1 1 A 33 33 SER H H 33 8.887 8.977 -0.090 2
1 284 . 1 1 A 33 33 SER CA C 33 60.176 61.102 -0.926 2
1 285 . 1 1 A 33 33 SER HA H 33 4.409 4.183 0.227 2
1 286 . 1 1 A 33 33 SER CB C 33 63.098 62.561 0.537 2
1 288 . 1 1 A 33 33 SER C C 33 174.922 176.041 -1.119 2
1 290 . 1 1 A 34 34 TYR N N 34 120.641 119.889 0.752 2
1 291 . 1 1 A 34 34 TYR H H 34 8.225 7.909 0.316 2
1 292 . 1 1 A 34 34 TYR CA C 34 58.266 60.169 -1.903 2
1 293 . 1 1 A 34 34 TYR HA H 34 4.622 4.367 0.255 2
1 294 . 1 1 A 34 34 TYR CB C 34 38.478 38.945 -0.467 2
1 304 . 1 1 A 34 34 TYR C C 34 175.881 176.074 -0.193 2
1 306 . 1 1 A 35 35 GLY N N 35 109.142 105.762 3.380 2
1 307 . 1 1 A 35 35 GLY H H 35 7.416 7.319 0.097 2
1 308 . 1 1 A 35 35 GLY CA C 35 44.524 44.740 -0.216 2
1 309 . 1 1 A 35 35 GLY HA3 H 35 4.411 4.108 0.303 2
1 310 . 1 1 A 35 35 GLY C C 35 172.956 172.235 0.721 2
1 311 . 1 1 A 35 35 GLY HA2 H 35 4.324 4.086 0.238 2
1 312 . 1 1 A 36 36 VAL N N 36 116.841 116.730 0.111 2
1 313 . 1 1 A 36 36 VAL H H 36 8.617 8.530 0.087 2
1 314 . 1 1 A 36 36 VAL CA C 36 57.700 58.103 -0.403 2
1 315 . 1 1 A 36 36 VAL HA H 36 4.880 4.986 -0.106 2
1 316 . 1 1 A 36 36 VAL CB C 36 33.474 33.867 -0.393 2
1 326 . 1 1 A 36 36 VAL C C 36 173.489 173.554 -0.065 2
1 327 . 1 1 A 37 37 PRO CA C 37 62.200 62.323 -0.123 2
1 328 . 1 1 A 37 37 PRO HA H 37 4.646 4.712 -0.066 2
1 329 . 1 1 A 37 37 PRO CB C 37 31.876 31.874 0.002 2
1 335 . 1 1 A 37 37 PRO C C 37 177.148 177.059 0.089 2
1 339 . 1 1 A 38 38 ALA N N 38 124.330 124.901 -0.571 2
1 340 . 1 1 A 38 38 ALA H H 38 8.591 8.158 0.433 2
1 341 . 1 1 A 38 38 ALA CA C 38 52.606 52.520 0.086 2
1 342 . 1 1 A 38 38 ALA HA H 38 4.189 4.237 -0.048 2
1 343 . 1 1 A 38 38 ALA CB C 38 18.928 19.745 -0.817 2
1 347 . 1 1 A 38 38 ALA C C 38 178.418 178.106 0.312 2
1 348 . 1 1 A 39 39 SER N N 39 109.435 113.942 -4.507 2
1 349 . 1 1 A 39 39 SER H H 39 8.687 8.712 -0.025 2
1 350 . 1 1 A 39 39 SER CA C 39 61.147 59.139 2.008 2
1 351 . 1 1 A 39 39 SER HA H 39 3.770 4.037 -0.267 2
1 352 . 1 1 A 39 39 SER CB C 39 62.322 61.844 0.478 2
1 354 . 1 1 A 39 39 SER C C 39 172.372 173.120 -0.748 2
1 356 . 1 1 A 40 40 LEU N N 40 121.668 120.717 0.951 2
1 357 . 1 1 A 40 40 LEU H H 40 6.981 7.720 -0.739 2
1 358 . 1 1 A 40 40 LEU CA C 40 51.707 50.991 0.716 2
1 359 . 1 1 A 40 40 LEU HA H 40 4.890 4.718 0.172 2
1 360 . 1 1 A 40 40 LEU CB C 40 43.441 45.432 -1.991 2
1 372 . 1 1 A 40 40 LEU C C 40 173.635 174.234 -0.599 2
1 374 . 1 1 A 41 41 PRO CA C 41 62.683 62.334 0.349 2
1 375 . 1 1 A 41 41 PRO HA H 41 4.490 4.635 -0.145 2
1 376 . 1 1 A 41 41 PRO CB C 41 31.415 30.934 0.481 2
1 382 . 1 1 A 41 41 PRO C C 41 175.540 175.202 0.338 2
1 386 . 1 1 A 42 42 VAL N N 42 124.505 122.580 1.925 2
1 387 . 1 1 A 42 42 VAL H H 42 8.917 7.752 1.165 2
1 388 . 1 1 A 42 42 VAL CA C 42 60.282 59.485 0.797 2
1 389 . 1 1 A 42 42 VAL HA H 42 4.408 4.638 -0.230 2
1 390 . 1 1 A 42 42 VAL CB C 42 34.522 34.470 0.052 2
1 400 . 1 1 A 42 42 VAL C C 42 171.180 174.119 -2.939 2
1 401 . 1 1 A 43 43 ASP N N 43 121.538 126.624 -5.086 2
1 402 . 1 1 A 43 43 ASP H H 43 7.549 9.079 -1.530 2
1 403 . 1 1 A 43 43 ASP CA C 43 51.968 52.317 -0.349 2
1 404 . 1 1 A 43 43 ASP HA H 43 6.324 5.733 0.591 2
1 405 . 1 1 A 43 43 ASP CB C 43 44.949 44.704 0.245 2
1 407 . 1 1 A 43 43 ASP C C 43 177.711 174.807 2.904 2
1 409 . 1 1 A 44 44 PHE N N 44 112.517 117.362 -4.845 2
1 410 . 1 1 A 44 44 PHE H H 44 9.044 7.798 1.246 2
1 411 . 1 1 A 44 44 PHE CA C 44 57.658 54.927 2.731 2
1 412 . 1 1 A 44 44 PHE HA H 44 5.069 5.476 -0.407 2
1 413 . 1 1 A 44 44 PHE CB C 44 41.220 42.024 -0.804 2
1 425 . 1 1 A 44 44 PHE C C 44 171.679 173.451 -1.772 2
1 427 . 1 1 A 45 45 ALA N N 45 123.935 121.195 2.741 2
1 428 . 1 1 A 45 45 ALA H H 45 9.468 9.045 0.423 2
1 429 . 1 1 A 45 45 ALA CA C 45 50.855 50.508 0.347 2
1 430 . 1 1 A 45 45 ALA HA H 45 5.379 5.353 0.026 2
1 431 . 1 1 A 45 45 ALA CB C 45 22.496 22.262 0.234 2
1 435 . 1 1 A 45 45 ALA C C 45 176.715 175.827 0.888 2
1 436 . 1 1 A 46 46 ILE N N 46 119.530 123.336 -3.806 2
1 437 . 1 1 A 46 46 ILE H H 46 8.686 9.442 -0.756 2
1 438 . 1 1 A 46 46 ILE CA C 46 59.561 60.710 -1.149 2
1 439 . 1 1 A 46 46 ILE HA H 46 4.863 4.769 0.094 2
1 440 . 1 1 A 46 46 ILE CB C 46 41.370 38.585 2.785 2
1 452 . 1 1 A 46 46 ILE C C 46 174.379 174.275 0.104 2
1 454 . 1 1 A 47 47 ASP N N 47 127.143 128.388 -1.245 2
1 455 . 1 1 A 47 47 ASP H H 47 9.281 8.851 0.430 2
1 456 . 1 1 A 47 47 ASP CA C 47 53.297 53.023 0.274 2
1 457 . 1 1 A 47 47 ASP HA H 47 4.976 5.207 -0.231 2
1 458 . 1 1 A 47 47 ASP CB C 47 41.371 42.297 -0.926 2
1 460 . 1 1 A 47 47 ASP C C 47 174.962 174.963 -0.001 2
1 462 . 1 1 A 48 48 ALA N N 48 129.371 128.643 0.728 2
1 463 . 1 1 A 48 48 ALA H H 48 9.078 8.550 0.528 2
1 464 . 1 1 A 48 48 ALA CA C 48 50.554 50.731 -0.177 2
1 465 . 1 1 A 48 48 ALA HA H 48 4.641 4.944 -0.303 2
1 466 . 1 1 A 48 48 ALA CB C 48 19.699 20.661 -0.962 2
1 470 . 1 1 A 48 48 ALA C C 48 179.317 176.794 2.523 2
1 471 . 1 1 A 49 49 ARG N N 49 122.060 124.316 -2.256 2
1 472 . 1 1 A 49 49 ARG H H 49 8.590 8.921 -0.331 2
1 473 . 1 1 A 49 49 ARG CA C 49 60.964 57.670 3.294 2
1 474 . 1 1 A 49 49 ARG HA H 49 3.987 4.478 -0.491 2
1 475 . 1 1 A 49 49 ARG CB C 49 30.654 31.198 -0.544 2
1 483 . 1 1 A 49 49 ARG C C 49 178.077 176.692 1.385 2
1 487 . 1 1 A 50 50 ASP N N 50 116.664 117.075 -0.411 2
1 488 . 1 1 A 50 50 ASP H H 50 8.794 7.976 0.818 2
1 489 . 1 1 A 50 50 ASP CA C 50 53.827 53.350 0.477 2
1 490 . 1 1 A 50 50 ASP HA H 50 5.040 4.907 0.133 2
1 491 . 1 1 A 50 50 ASP CB C 50 41.595 41.526 0.069 2
1 493 . 1 1 A 50 50 ASP C C 50 175.754 176.723 -0.969 2
1 495 . 1 1 A 51 51 ALA N N 51 121.173 122.229 -1.056 2
1 496 . 1 1 A 51 51 ALA H H 51 7.406 7.827 -0.421 2
1 497 . 1 1 A 51 51 ALA CA C 51 52.147 52.022 0.125 2
1 498 . 1 1 A 51 51 ALA HA H 51 4.414 4.429 -0.015 2
1 499 . 1 1 A 51 51 ALA CB C 51 23.427 19.332 4.095 2
1 503 . 1 1 A 51 51 ALA C C 51 176.763 178.087 -1.324 2
1 504 . 1 1 A 52 52 GLY N N 52 108.187 106.734 1.453 2
1 505 . 1 1 A 52 52 GLY H H 52 8.521 8.027 0.494 2
1 506 . 1 1 A 52 52 GLY CA C 52 45.210 46.293 -1.083 2
1 507 . 1 1 A 52 52 GLY HA3 H 52 3.859 4.057 -0.198 2
1 508 . 1 1 A 52 52 GLY C C 52 175.060 173.556 1.504 2
1 509 . 1 1 A 52 52 GLY HA2 H 52 4.492 4.009 0.483 2
1 510 . 1 1 A 53 53 GLU N N 53 124.810 122.657 2.153 2
1 511 . 1 1 A 53 53 GLU H H 53 8.643 8.693 -0.050 2
1 512 . 1 1 A 53 53 GLU CA C 53 56.352 55.089 1.263 2
1 513 . 1 1 A 53 53 GLU HA H 53 4.663 5.351 -0.688 2
1 514 . 1 1 A 53 53 GLU CB C 53 31.164 32.453 -1.289 2
1 518 . 1 1 A 53 53 GLU C C 53 173.491 175.630 -2.139 2
1 521 . 1 1 A 54 54 GLY N N 54 111.417 111.324 0.093 2
1 522 . 1 1 A 54 54 GLY H H 54 7.465 8.434 -0.969 2
1 523 . 1 1 A 54 54 GLY CA C 54 43.622 44.611 -0.989 2
1 524 . 1 1 A 54 54 GLY HA3 H 54 2.287 3.934 -1.647 2
1 525 . 1 1 A 54 54 GLY C C 54 170.013 171.562 -1.549 2
1 526 . 1 1 A 54 54 GLY HA2 H 54 3.819 3.579 0.240 2
1 527 . 1 1 A 55 55 LEU N N 55 117.446 122.629 -5.183 2
1 528 . 1 1 A 55 55 LEU H H 55 7.461 7.923 -0.462 2
1 529 . 1 1 A 55 55 LEU CA C 55 54.041 54.692 -0.651 2
1 530 . 1 1 A 55 55 LEU HA H 55 4.293 4.233 0.060 2
1 531 . 1 1 A 55 55 LEU CB C 55 42.832 42.455 0.377 2
1 543 . 1 1 A 55 55 LEU C C 55 176.872 175.493 1.379 2
1 545 . 1 1 A 56 56 LEU N N 56 131.840 128.367 3.473 2
1 546 . 1 1 A 56 56 LEU H H 56 8.791 8.475 0.316 2
1 547 . 1 1 A 56 56 LEU CA C 56 53.807 54.113 -0.306 2
1 548 . 1 1 A 56 56 LEU HA H 56 5.053 4.720 0.333 2
1 549 . 1 1 A 56 56 LEU CB C 56 43.113 43.700 -0.587 2
1 561 . 1 1 A 56 56 LEU C C 56 175.389 175.135 0.254 2
1 563 . 1 1 A 57 57 ALA N N 57 130.035 128.252 1.783 2
1 564 . 1 1 A 57 57 ALA H H 57 8.880 8.410 0.470 2
1 565 . 1 1 A 57 57 ALA CA C 57 51.758 50.559 1.199 2
1 566 . 1 1 A 57 57 ALA HA H 57 4.641 5.173 -0.532 2
1 567 . 1 1 A 57 57 ALA CB C 57 21.820 23.097 -1.277 2
1 571 . 1 1 A 57 57 ALA C C 57 174.647 175.566 -0.919 2
1 572 . 1 1 A 58 58 VAL N N 58 120.958 121.011 -0.053 2
1 573 . 1 1 A 58 58 VAL H H 58 8.443 8.806 -0.363 2
1 574 . 1 1 A 58 58 VAL CA C 58 60.495 61.023 -0.528 2
1 575 . 1 1 A 58 58 VAL HA H 58 4.988 4.775 0.213 2
1 576 . 1 1 A 58 58 VAL CB C 58 34.639 34.009 0.630 2
1 586 . 1 1 A 58 58 VAL C C 58 174.646 174.356 0.290 2
1 587 . 1 1 A 59 59 GLN N N 59 127.048 127.413 -0.365 2
1 588 . 1 1 A 59 59 GLN H H 59 9.196 8.982 0.214 2
1 589 . 1 1 A 59 59 GLN CA C 59 54.587 54.529 0.058 2
1 590 . 1 1 A 59 59 GLN HA H 59 4.706 4.971 -0.265 2
1 591 . 1 1 A 59 59 GLN CB C 59 31.580 30.788 0.792 2
1 598 . 1 1 A 59 59 GLN C C 59 174.197 174.536 -0.339 2
1 601 . 1 1 A 60 60 ILE N N 60 127.617 126.821 0.796 2
1 602 . 1 1 A 60 60 ILE H H 60 9.299 9.019 0.280 2
1 603 . 1 1 A 60 60 ILE CA C 60 60.506 60.147 0.359 2
1 604 . 1 1 A 60 60 ILE HA H 60 5.210 4.963 0.247 2
1 605 . 1 1 A 60 60 ILE CB C 60 39.172 39.986 -0.814 2
1 617 . 1 1 A 60 60 ILE C C 60 175.608 175.211 0.397 2
1 619 . 1 1 A 61 61 THR N N 61 119.733 117.691 2.042 2
1 620 . 1 1 A 61 61 THR H H 61 8.924 8.833 0.091 2
1 621 . 1 1 A 61 61 THR CA C 61 59.565 59.419 0.146 2
1 622 . 1 1 A 61 61 THR HA H 61 5.173 5.579 -0.406 2
1 623 . 1 1 A 61 61 THR CB C 61 72.121 72.298 -0.177 2
1 629 . 1 1 A 61 61 THR C C 61 174.051 173.263 0.788 2
1 630 . 1 1 A 62 62 ASP N N 62 122.337 121.222 1.115 2
1 631 . 1 1 A 62 62 ASP H H 62 8.484 8.444 0.040 2
1 632 . 1 1 A 62 62 ASP CA C 62 52.200 51.767 0.433 2
1 633 . 1 1 A 62 62 ASP HA H 62 4.425 4.718 -0.293 2
1 634 . 1 1 A 62 62 ASP CB C 62 42.222 42.520 -0.298 2
1 636 . 1 1 A 62 62 ASP C C 62 179.086 177.719 1.367 2
1 638 . 1 1 A 63 63 GLN N N 63 118.341 118.817 -0.476 2
1 639 . 1 1 A 63 63 GLN H H 63 8.250 8.758 -0.508 2
1 640 . 1 1 A 63 63 GLN CA C 63 58.406 58.459 -0.053 2
1 641 . 1 1 A 63 63 GLN HA H 63 4.049 4.057 -0.008 2
1 642 . 1 1 A 63 63 GLN CB C 63 28.127 27.970 0.157 2
1 649 . 1 1 A 63 63 GLN C C 63 177.152 178.081 -0.929 2
1 652 . 1 1 A 64 64 GLU N N 64 119.134 119.022 0.112 2
1 653 . 1 1 A 64 64 GLU H H 64 8.120 7.728 0.392 2
1 654 . 1 1 A 64 64 GLU CA C 64 55.790 57.026 -1.236 2
1 655 . 1 1 A 64 64 GLU HA H 64 4.423 4.360 0.063 2
1 656 . 1 1 A 64 64 GLU CB C 64 30.102 30.353 -0.251 2
1 660 . 1 1 A 64 64 GLU C C 64 176.374 176.671 -0.297 2
1 663 . 1 1 A 65 65 GLY N N 65 108.728 108.204 0.524 2
1 664 . 1 1 A 65 65 GLY H H 65 8.306 8.099 0.207 2
1 665 . 1 1 A 65 65 GLY CA C 65 45.285 45.863 -0.578 2
1 666 . 1 1 A 65 65 GLY HA3 H 65 3.561 3.952 -0.391 2
1 667 . 1 1 A 65 65 GLY C C 65 174.342 174.384 -0.042 2
1 668 . 1 1 A 65 65 GLY HA2 H 65 4.203 3.947 0.256 2
1 669 . 1 1 A 66 66 LYS N N 66 123.502 119.491 4.011 2
1 670 . 1 1 A 66 66 LYS H H 66 8.528 7.974 0.554 2
1 671 . 1 1 A 66 66 LYS CA C 66 53.738 53.387 0.351 2
1 672 . 1 1 A 66 66 LYS HA H 66 4.613 4.691 -0.078 2
1 673 . 1 1 A 66 66 LYS CB C 66 31.167 32.483 -1.316 2
1 681 . 1 1 A 66 66 LYS C C 66 174.752 174.355 0.397 2
1 686 . 1 1 A 67 67 PRO CA C 67 62.433 62.732 -0.299 2
1 687 . 1 1 A 67 67 PRO HA H 67 5.062 4.713 0.349 2
1 688 . 1 1 A 67 67 PRO CB C 67 32.725 31.996 0.729 2
1 694 . 1 1 A 67 67 PRO C C 67 177.270 176.154 1.116 2
1 698 . 1 1 A 68 68 LYS N N 68 121.461 121.633 -0.172 2
1 699 . 1 1 A 68 68 LYS H H 68 8.419 8.320 0.099 2
1 700 . 1 1 A 68 68 LYS CA C 68 52.023 54.739 -2.716 2
1 701 . 1 1 A 68 68 LYS HA H 68 4.797 4.877 -0.080 2
1 702 . 1 1 A 68 68 LYS CB C 68 32.611 35.508 -2.897 2
1 710 . 1 1 A 68 68 LYS C C 68 175.389 175.431 -0.042 2
1 715 . 1 1 A 69 69 ARG N N 69 124.040 123.546 0.494 2
1 716 . 1 1 A 69 69 ARG H H 69 8.683 8.624 0.059 2
1 717 . 1 1 A 69 69 ARG CA C 69 57.045 56.618 0.427 2
1 718 . 1 1 A 69 69 ARG HA H 69 4.221 4.553 -0.332 2
1 719 . 1 1 A 69 69 ARG CB C 69 30.712 30.811 -0.099 2
1 725 . 1 1 A 69 69 ARG C C 69 174.877 175.319 -0.442 2
1 729 . 1 1 A 70 70 ALA N N 70 127.074 127.537 -0.463 2
1 730 . 1 1 A 70 70 ALA H H 70 8.421 8.643 -0.222 2
1 731 . 1 1 A 70 70 ALA CA C 70 50.360 50.568 -0.208 2
1 732 . 1 1 A 70 70 ALA HA H 70 4.859 5.210 -0.351 2
1 733 . 1 1 A 70 70 ALA CB C 70 20.569 22.778 -2.209 2
1 737 . 1 1 A 70 70 ALA C C 70 176.313 175.701 0.612 2
1 738 . 1 1 A 71 71 ILE N N 71 124.496 121.580 2.916 2
1 739 . 1 1 A 71 71 ILE H H 71 8.943 8.889 0.054 2
1 740 . 1 1 A 71 71 ILE CA C 71 60.870 60.164 0.706 2
1 741 . 1 1 A 71 71 ILE HA H 71 4.195 4.693 -0.498 2
1 742 . 1 1 A 71 71 ILE CB C 71 38.457 39.526 -1.069 2
1 754 . 1 1 A 71 71 ILE C C 71 175.027 174.993 0.034 2
1 756 . 1 1 A 72 72 VAL N N 72 128.410 127.157 1.253 2
1 757 . 1 1 A 72 72 VAL H H 72 8.714 8.885 -0.171 2
1 758 . 1 1 A 72 72 VAL CA C 72 61.867 60.261 1.606 2
1 759 . 1 1 A 72 72 VAL HA H 72 4.478 4.793 -0.315 2
1 760 . 1 1 A 72 72 VAL CB C 72 32.745 33.685 -0.941 2
1 770 . 1 1 A 72 72 VAL C C 72 175.279 173.961 1.318 2
1 771 . 1 1 A 73 73 HIS N N 73 129.084 128.041 1.043 2
1 772 . 1 1 A 73 73 HIS H H 73 9.783 9.096 0.687 2
1 773 . 1 1 A 73 73 HIS CA C 73 55.366 54.470 0.896 2
1 774 . 1 1 A 73 73 HIS HA H 73 4.849 5.162 -0.313 2
1 775 . 1 1 A 73 73 HIS CB C 73 31.465 32.182 -0.717 2
1 781 . 1 1 A 73 73 HIS C C 73 173.491 173.582 -0.091 2
1 783 . 1 1 A 74 74 ASP N N 74 127.118 124.910 2.208 2
1 784 . 1 1 A 74 74 ASP H H 74 8.541 8.776 -0.235 2
1 785 . 1 1 A 74 74 ASP CA C 74 53.048 53.137 -0.089 2
1 786 . 1 1 A 74 74 ASP HA H 74 4.476 5.173 -0.697 2
1 787 . 1 1 A 74 74 ASP CB C 74 41.554 42.371 -0.817 2
1 789 . 1 1 A 74 74 ASP C C 74 175.936 175.826 0.110 2
1 791 . 1 1 A 75 75 ASN N N 75 124.002 122.205 1.797 2
1 792 . 1 1 A 75 75 ASN H H 75 7.827 8.761 -0.934 2
1 793 . 1 1 A 75 75 ASN CA C 75 54.517 53.149 1.368 2
1 794 . 1 1 A 75 75 ASN HA H 75 4.572 4.850 -0.278 2
1 795 . 1 1 A 75 75 ASN CB C 75 38.091 39.716 -1.625 2
1 800 . 1 1 A 75 75 ASN C C 75 175.352 174.856 0.496 2
1 802 . 1 1 A 76 76 LYS N N 76 114.689 115.618 -0.928 2
1 803 . 1 1 A 76 76 LYS H H 76 9.246 7.708 1.538 2
1 804 . 1 1 A 76 76 LYS CA C 76 57.428 57.181 0.247 2
1 805 . 1 1 A 76 76 LYS HA H 76 3.882 3.881 0.001 2
1 806 . 1 1 A 76 76 LYS CB C 76 28.223 29.080 -0.857 2
1 814 . 1 1 A 76 76 LYS C C 76 174.975 175.268 -0.293 2
1 819 . 1 1 A 77 77 ASP N N 77 117.462 118.430 -0.968 2
1 820 . 1 1 A 77 77 ASP H H 77 7.831 8.100 -0.269 2
1 821 . 1 1 A 77 77 ASP CA C 77 52.168 53.102 -0.934 2
1 822 . 1 1 A 77 77 ASP HA H 77 4.706 4.819 -0.113 2
1 823 . 1 1 A 77 77 ASP CB C 77 41.224 41.379 -0.155 2
1 825 . 1 1 A 77 77 ASP C C 77 176.739 176.220 0.519 2
1 827 . 1 1 A 78 78 GLY N N 78 109.485 107.942 1.543 2
1 828 . 1 1 A 78 78 GLY H H 78 8.658 8.420 0.238 2
1 829 . 1 1 A 78 78 GLY CA C 78 45.568 45.620 -0.052 2
1 830 . 1 1 A 78 78 GLY HA3 H 78 3.698 3.893 -0.195 2
1 831 . 1 1 A 78 78 GLY C C 78 172.263 173.507 -1.244 2
1 832 . 1 1 A 78 78 GLY HA2 H 78 4.323 3.878 0.445 2
1 833 . 1 1 A 79 79 THR N N 79 109.462 110.273 -0.811 2
1 834 . 1 1 A 79 79 THR H H 79 8.057 7.295 0.762 2
1 835 . 1 1 A 79 79 THR CA C 79 59.989 60.001 -0.012 2
1 836 . 1 1 A 79 79 THR HA H 79 5.566 5.113 0.453 2
1 837 . 1 1 A 79 79 THR CB C 79 72.712 72.442 0.270 2
1 843 . 1 1 A 79 79 THR C C 79 173.868 172.094 1.774 2
1 844 . 1 1 A 80 80 TYR N N 80 116.428 119.219 -2.791 2
1 845 . 1 1 A 80 80 TYR H H 80 9.085 8.669 0.416 2
1 846 . 1 1 A 80 80 TYR CA C 80 56.533 56.488 0.045 2
1 847 . 1 1 A 80 80 TYR HA H 80 5.372 5.098 0.274 2
1 848 . 1 1 A 80 80 TYR CB C 80 42.831 42.860 -0.029 2
1 858 . 1 1 A 80 80 TYR C C 80 175.327 174.596 0.731 2
1 860 . 1 1 A 81 81 ALA N N 81 126.743 125.172 1.571 2
1 861 . 1 1 A 81 81 ALA H H 81 9.302 8.618 0.684 2
1 862 . 1 1 A 81 81 ALA CA C 81 51.121 49.881 1.240 2
1 863 . 1 1 A 81 81 ALA HA H 81 5.149 5.583 -0.434 2
1 864 . 1 1 A 81 81 ALA CB C 81 22.111 22.849 -0.738 2
1 868 . 1 1 A 81 81 ALA C C 81 175.505 175.794 -0.289 2
1 869 . 1 1 A 82 82 VAL N N 82 124.472 120.509 3.963 2
1 870 . 1 1 A 82 82 VAL H H 82 8.940 8.012 0.928 2
1 871 . 1 1 A 82 82 VAL CA C 82 60.264 60.934 -0.670 2
1 872 . 1 1 A 82 82 VAL HA H 82 5.039 4.672 0.367 2
1 873 . 1 1 A 82 82 VAL CB C 82 33.236 34.626 -1.390 2
1 883 . 1 1 A 82 82 VAL C C 82 174.517 174.322 0.195 2
1 884 . 1 1 A 83 83 THR N N 83 121.500 122.859 -1.359 2
1 885 . 1 1 A 83 83 THR H H 83 8.717 8.526 0.191 2
1 886 . 1 1 A 83 83 THR CA C 83 61.075 62.188 -1.113 2
1 887 . 1 1 A 83 83 THR HA H 83 5.497 5.111 0.386 2
1 888 . 1 1 A 83 83 THR CB C 83 72.153 70.810 1.343 2
1 894 . 1 1 A 83 83 THR C C 83 173.515 173.620 -0.105 2
1 895 . 1 1 A 84 84 TYR N N 84 122.841 121.198 1.643 2
1 896 . 1 1 A 84 84 TYR H H 84 9.014 8.809 0.205 2
1 897 . 1 1 A 84 84 TYR CA C 84 55.985 55.818 0.167 2
1 898 . 1 1 A 84 84 TYR HA H 84 4.979 5.317 -0.338 2
1 899 . 1 1 A 84 84 TYR CB C 84 41.967 41.581 0.386 2
1 909 . 1 1 A 84 84 TYR C C 84 171.873 172.874 -1.001 2
1 911 . 1 1 A 85 85 ILE N N 85 118.254 123.547 -5.293 2
1 912 . 1 1 A 85 85 ILE H H 85 8.805 8.898 -0.093 2
1 913 . 1 1 A 85 85 ILE CA C 85 57.883 58.081 -0.198 2
1 914 . 1 1 A 85 85 ILE HA H 85 4.550 4.531 0.019 2
1 915 . 1 1 A 85 85 ILE CB C 85 40.179 38.847 1.332 2
1 927 . 1 1 A 85 85 ILE C C 85 174.339 174.815 -0.476 2
1 929 . 1 1 A 86 86 PRO CA C 86 61.414 62.443 -1.029 2
1 930 . 1 1 A 86 86 PRO HA H 86 4.436 4.668 -0.232 2
1 931 . 1 1 A 86 86 PRO CB C 86 30.107 30.835 -0.728 2
1 937 . 1 1 A 86 86 PRO C C 86 175.126 176.892 -1.766 2
1 941 . 1 1 A 87 87 ASP N N 87 123.447 124.134 -0.687 2
1 942 . 1 1 A 87 87 ASP H H 87 8.501 8.780 -0.279 2
1 943 . 1 1 A 87 87 ASP CA C 87 55.668 56.728 -1.060 2
1 944 . 1 1 A 87 87 ASP HA H 87 4.263 4.606 -0.343 2
1 945 . 1 1 A 87 87 ASP CB C 87 40.930 41.558 -0.628 2
1 947 . 1 1 A 87 87 ASP C C 87 175.182 176.545 -1.363 2
1 949 . 1 1 A 88 88 LYS N N 88 116.947 118.525 -1.578 2
1 950 . 1 1 A 88 88 LYS H H 88 7.683 7.830 -0.147 2
1 951 . 1 1 A 88 88 LYS CA C 88 54.995 55.616 -0.621 2
1 952 . 1 1 A 88 88 LYS HA H 88 4.588 4.566 0.022 2
1 953 . 1 1 A 88 88 LYS CB C 88 34.821 33.525 1.296 2
1 961 . 1 1 A 88 88 LYS C C 88 177.529 176.137 1.392 2
1 966 . 1 1 A 89 89 THR N N 89 114.134 115.252 -1.118 2
1 967 . 1 1 A 89 89 THR H H 89 8.588 8.551 0.037 2
1 968 . 1 1 A 89 89 THR CA C 89 62.828 61.019 1.809 2
1 969 . 1 1 A 89 89 THR HA H 89 4.083 4.861 -0.778 2
1 970 . 1 1 A 89 89 THR CB C 89 69.590 70.595 -1.005 2
1 976 . 1 1 A 89 89 THR C C 89 174.269 173.824 0.445 2
1 977 . 1 1 A 90 90 GLY N N 90 109.440 108.653 0.787 2
1 978 . 1 1 A 90 90 GLY H H 90 8.444 8.397 0.047 2
1 979 . 1 1 A 90 90 GLY CA C 90 44.648 45.004 -0.356 2
1 980 . 1 1 A 90 90 GLY HA3 H 90 4.467 4.169 0.298 2
1 981 . 1 1 A 90 90 GLY C C 90 172.469 172.250 0.219 2
1 982 . 1 1 A 90 90 GLY HA2 H 90 3.908 4.106 -0.198 2
1 983 . 1 1 A 91 91 ARG N N 91 120.781 121.730 -0.949 2
1 984 . 1 1 A 91 91 ARG H H 91 8.271 8.255 0.016 2
1 985 . 1 1 A 91 91 ARG CA C 91 56.178 55.017 1.161 2
1 986 . 1 1 A 91 91 ARG HA H 91 4.951 4.923 0.028 2
1 987 . 1 1 A 91 91 ARG CB C 91 31.986 32.399 -0.413 2
1 993 . 1 1 A 91 91 ARG C C 91 175.711 174.690 1.021 2
1 997 . 1 1 A 92 92 TYR N N 92 122.381 122.480 -0.099 2
1 998 . 1 1 A 92 92 TYR H H 92 9.312 9.191 0.120 2
1 999 . 1 1 A 92 92 TYR CA C 92 56.886 56.673 0.213 2
1 1000 . 1 1 A 92 92 TYR HA H 92 4.960 5.143 -0.183 2
1 1001 . 1 1 A 92 92 TYR CB C 92 41.223 41.125 0.098 2
1 1011 . 1 1 A 92 92 TYR C C 92 174.902 174.345 0.558 2
1 1013 . 1 1 A 93 93 MET N N 93 121.210 124.518 -3.308 2
1 1014 . 1 1 A 93 93 MET H H 93 8.819 8.771 0.048 2
1 1015 . 1 1 A 93 93 MET CA C 93 53.745 54.022 -0.277 2
1 1016 . 1 1 A 93 93 MET HA H 93 5.346 5.353 -0.007 2
1 1017 . 1 1 A 93 93 MET CB C 93 34.220 35.261 -1.041 2
1 1025 . 1 1 A 93 93 MET C C 93 175.365 174.747 0.618 2
1 1028 . 1 1 A 94 94 ILE N N 94 125.747 126.733 -0.986 2
1 1029 . 1 1 A 94 94 ILE H H 94 9.372 8.847 0.525 2
1 1030 . 1 1 A 94 94 ILE CA C 94 60.685 59.682 1.003 2
1 1031 . 1 1 A 94 94 ILE HA H 94 4.606 5.136 -0.530 2
1 1032 . 1 1 A 94 94 ILE CB C 94 39.188 40.180 -0.992 2
1 1044 . 1 1 A 94 94 ILE C C 94 174.987 175.085 -0.098 2
1 1046 . 1 1 A 95 95 GLY N N 95 116.553 115.143 1.410 2
1 1047 . 1 1 A 95 95 GLY H H 95 9.509 9.083 0.426 2
1 1048 . 1 1 A 95 95 GLY CA C 95 44.507 45.310 -0.803 2
1 1049 . 1 1 A 95 95 GLY HA3 H 95 3.605 4.189 -0.584 2
1 1050 . 1 1 A 95 95 GLY C C 95 173.175 172.276 0.899 2
1 1051 . 1 1 A 95 95 GLY HA2 H 95 4.606 4.157 0.449 2
1 1052 . 1 1 A 96 96 VAL N N 96 127.036 127.766 -0.730 2
1 1053 . 1 1 A 96 96 VAL H H 96 9.299 8.818 0.481 2
1 1054 . 1 1 A 96 96 VAL CA C 96 61.308 62.741 -1.433 2
1 1055 . 1 1 A 96 96 VAL HA H 96 4.889 4.497 0.392 2
1 1056 . 1 1 A 96 96 VAL CB C 96 34.145 32.268 1.877 2
1 1066 . 1 1 A 96 96 VAL C C 96 174.354 175.497 -1.143 2
1 1067 . 1 1 A 97 97 THR N N 97 115.219 118.064 -2.845 2
1 1068 . 1 1 A 97 97 THR H H 97 9.018 8.632 0.386 2
1 1069 . 1 1 A 97 97 THR CA C 97 57.826 59.775 -1.949 2
1 1070 . 1 1 A 97 97 THR HA H 97 5.265 5.356 -0.091 2
1 1071 . 1 1 A 97 97 THR CB C 97 72.753 71.816 0.937 2
1 1077 . 1 1 A 97 97 THR C C 97 173.175 172.856 0.319 2
1 1078 . 1 1 A 98 98 TYR N N 98 122.768 123.756 -0.988 2
1 1079 . 1 1 A 98 98 TYR H H 98 9.149 9.350 -0.201 2
1 1080 . 1 1 A 98 98 TYR CA C 98 57.488 57.280 0.208 2
1 1081 . 1 1 A 98 98 TYR HA H 98 5.077 4.981 0.096 2
1 1082 . 1 1 A 98 98 TYR CB C 98 43.122 41.506 1.616 2
1 1092 . 1 1 A 98 98 TYR C C 98 175.949 175.491 0.458 2
1 1094 . 1 1 A 99 99 GLY N N 99 113.994 115.151 -1.157 2
1 1095 . 1 1 A 99 99 GLY H H 99 8.402 8.889 -0.487 2
1 1096 . 1 1 A 99 99 GLY CA C 99 45.010 46.468 -1.458 2
1 1097 . 1 1 A 99 99 GLY HA3 H 99 2.623 3.389 -0.766 2
1 1098 . 1 1 A 99 99 GLY C C 99 174.197 175.198 -1.001 2
1 1099 . 1 1 A 99 99 GLY HA2 H 99 3.220 3.040 0.180 2
1 1100 . 1 1 A 100 100 GLY N N 100 103.115 106.130 -3.015 2
1 1101 . 1 1 A 100 100 GLY H H 100 8.288 8.598 -0.310 2
1 1102 . 1 1 A 100 100 GLY CA C 100 44.170 46.353 -2.183 2
1 1103 . 1 1 A 100 100 GLY HA3 H 100 4.265 3.894 0.371 2
1 1104 . 1 1 A 100 100 GLY C C 100 173.054 173.359 -0.305 2
1 1105 . 1 1 A 100 100 GLY HA2 H 100 3.284 3.885 -0.601 2
1 1106 . 1 1 A 101 101 ASP N N 101 120.566 119.570 0.996 2
1 1107 . 1 1 A 101 101 ASP H H 101 7.245 7.915 -0.670 2
1 1108 . 1 1 A 101 101 ASP CA C 101 52.908 53.204 -0.296 2
1 1109 . 1 1 A 101 101 ASP HA H 101 5.012 5.122 -0.110 2
1 1110 . 1 1 A 101 101 ASP CB C 101 42.831 44.221 -1.390 2
1 1112 . 1 1 A 101 101 ASP C C 101 175.182 175.068 0.114 2
1 1114 . 1 1 A 102 102 ASP N N 102 122.668 125.020 -2.352 2
1 1115 . 1 1 A 102 102 ASP H H 102 8.597 8.914 -0.317 2
1 1116 . 1 1 A 102 102 ASP CA C 102 56.233 54.212 2.021 2
1 1117 . 1 1 A 102 102 ASP HA H 102 4.667 4.865 -0.198 2
1 1118 . 1 1 A 102 102 ASP CB C 102 42.373 41.403 0.970 2
1 1120 . 1 1 A 102 102 ASP C C 102 176.970 176.177 0.793 2
1 1122 . 1 1 A 103 103 ILE N N 103 117.672 118.983 -1.311 2
1 1123 . 1 1 A 103 103 ILE H H 103 7.887 8.355 -0.468 2
1 1124 . 1 1 A 103 103 ILE CA C 103 61.025 59.734 1.291 2
1 1125 . 1 1 A 103 103 ILE HA H 103 4.526 4.577 -0.051 2
1 1126 . 1 1 A 103 103 ILE CB C 103 35.534 37.645 -2.111 2
1 1138 . 1 1 A 103 103 ILE C C 103 173.902 176.526 -2.624 2
1 1140 . 1 1 A 104 104 PRO CA C 104 66.456 64.209 2.247 2
1 1141 . 1 1 A 104 104 PRO HA H 104 4.177 4.527 -0.350 2
1 1142 . 1 1 A 104 104 PRO CB C 104 31.709 31.552 0.157 2
1 1151 . 1 1 A 105 105 LEU N N 105 115.386 117.693 -2.307 2
1 1152 . 1 1 A 105 105 LEU H H 105 8.464 7.933 0.531 2
1 1153 . 1 1 A 105 105 LEU CA C 105 55.294 55.762 -0.468 2
1 1154 . 1 1 A 105 105 LEU HA H 105 3.845 4.267 -0.422 2
1 1155 . 1 1 A 105 105 LEU CB C 105 39.148 42.849 -3.701 2
1 1168 . 1 1 A 106 106 SER N N 106 111.669 114.159 -2.490 2
1 1169 . 1 1 A 106 106 SER H H 106 7.338 7.446 -0.108 2
1 1170 . 1 1 A 106 106 SER CA C 106 54.750 56.822 -2.072 2
1 1171 . 1 1 A 106 106 SER HA H 106 4.347 4.574 -0.227 2
1 1172 . 1 1 A 106 106 SER CB C 106 64.133 63.284 0.849 2
1 1175 . 1 1 A 107 107 PRO CA C 107 62.344 62.420 -0.076 2
1 1176 . 1 1 A 107 107 PRO HA H 107 5.323 4.842 0.481 2
1 1177 . 1 1 A 107 107 PRO CB C 107 33.977 32.897 1.080 2
1 1183 . 1 1 A 107 107 PRO C C 107 176.003 174.788 1.215 2
1 1187 . 1 1 A 108 108 TYR N N 108 122.832 119.287 3.545 2
1 1188 . 1 1 A 108 108 TYR H H 108 9.294 8.472 0.822 2
1 1189 . 1 1 A 108 108 TYR CA C 108 57.629 56.790 0.839 2
1 1190 . 1 1 A 108 108 TYR HA H 108 4.428 4.958 -0.530 2
1 1191 . 1 1 A 108 108 TYR CB C 108 40.091 41.267 -1.176 2
1 1201 . 1 1 A 108 108 TYR C C 108 175.851 175.245 0.606 2
1 1203 . 1 1 A 109 109 ARG N N 109 122.941 123.017 -0.076 2
1 1204 . 1 1 A 109 109 ARG H H 109 8.746 8.753 -0.007 2
1 1205 . 1 1 A 109 109 ARG CA C 109 55.259 55.826 -0.567 2
1 1206 . 1 1 A 109 109 ARG HA H 109 5.189 4.777 0.412 2
1 1207 . 1 1 A 109 109 ARG CB C 109 30.879 31.127 -0.248 2
1 1213 . 1 1 A 109 109 ARG C C 109 175.522 175.574 -0.052 2
1 1217 . 1 1 A 110 110 ILE N N 110 125.109 123.849 1.260 2
1 1218 . 1 1 A 110 110 ILE H H 110 8.742 8.461 0.281 2
1 1219 . 1 1 A 110 110 ILE CA C 110 57.577 59.603 -2.026 2
1 1220 . 1 1 A 110 110 ILE HA H 110 4.758 4.861 -0.103 2
1 1221 . 1 1 A 110 110 ILE CB C 110 41.138 42.465 -1.327 2
1 1233 . 1 1 A 110 110 ILE C C 110 175.121 174.716 0.405 2
1 1235 . 1 1 A 111 111 ARG N N 111 125.357 124.600 0.756 2
1 1236 . 1 1 A 111 111 ARG H H 111 8.776 8.851 -0.075 2
1 1237 . 1 1 A 111 111 ARG CA C 111 54.730 54.233 0.497 2
1 1238 . 1 1 A 111 111 ARG HA H 111 5.053 5.269 -0.216 2
1 1239 . 1 1 A 111 111 ARG CB C 111 32.685 33.217 -0.532 2
1 1245 . 1 1 A 111 111 ARG C C 111 174.163 174.875 -0.712 2
1 1249 . 1 1 A 112 112 ALA N N 112 127.119 127.167 -0.048 2
1 1250 . 1 1 A 112 112 ALA H H 112 9.208 8.680 0.528 2
1 1251 . 1 1 A 112 112 ALA CA C 112 49.945 51.511 -1.566 2
1 1252 . 1 1 A 112 112 ALA HA H 112 5.851 4.957 0.894 2
1 1253 . 1 1 A 112 112 ALA CB C 112 21.329 19.738 1.591 2
1 1257 . 1 1 A 112 112 ALA C C 112 178.853 176.811 2.042 2
1 1258 . 1 1 A 113 113 THR N N 113 116.033 116.935 -0.902 2
1 1259 . 1 1 A 113 113 THR H H 113 8.995 8.751 0.244 2
1 1260 . 1 1 A 113 113 THR CA C 113 60.312 61.363 -1.051 2
1 1261 . 1 1 A 113 113 THR HA H 113 4.695 4.740 -0.045 2
1 1262 . 1 1 A 113 113 THR CB C 113 71.251 69.895 1.356 2
1 1268 . 1 1 A 113 113 THR C C 113 173.710 173.659 0.051 2
1 1269 . 1 1 A 114 114 GLN N N 114 122.122 126.302 -4.180 2
1 1270 . 1 1 A 114 114 GLN H H 114 8.753 8.693 0.060 2
1 1271 . 1 1 A 114 114 GLN CA C 114 55.817 55.366 0.451 2
1 1272 . 1 1 A 114 114 GLN HA H 114 4.570 4.703 -0.133 2
1 1273 . 1 1 A 114 114 GLN CB C 114 30.106 30.083 0.023 2
1 1280 . 1 1 A 114 114 GLN C C 114 176.106 174.962 1.144 2
1 1283 . 1 1 A 115 115 THR N N 115 117.345 117.654 -0.309 2
1 1284 . 1 1 A 115 115 THR H H 115 8.493 8.613 -0.120 2
1 1285 . 1 1 A 115 115 THR CA C 115 62.328 61.512 0.816 2
1 1286 . 1 1 A 115 115 THR HA H 115 4.351 4.712 -0.361 2
1 1287 . 1 1 A 115 115 THR CB C 115 69.874 70.619 -0.745 2
1 1293 . 1 1 A 115 115 THR C C 115 175.158 174.168 0.990 2
1 1294 . 1 1 A 116 116 GLY N N 116 111.927 111.685 0.242 2
1 1295 . 1 1 A 116 116 GLY H H 116 8.559 8.420 0.139 2
1 1296 . 1 1 A 116 116 GLY CA C 116 45.315 45.364 -0.049 2
1 1297 . 1 1 A 116 116 GLY HA3 H 116 3.934 4.087 -0.153 2
1 1298 . 1 1 A 116 116 GLY C C 116 173.820 172.887 0.933 2
1 1299 . 1 1 A 116 116 GLY HA2 H 116 4.030 4.085 -0.055 2
1 1300 . 1 1 A 117 117 ASP N N 117 120.643 121.811 -1.168 2
1 1301 . 1 1 A 117 117 ASP H H 117 8.208 8.632 -0.424 2
1 1302 . 1 1 A 117 117 ASP CA C 117 54.393 53.837 0.556 2
1 1303 . 1 1 A 117 117 ASP HA H 117 4.615 4.910 -0.295 2
1 1304 . 1 1 A 117 117 ASP CB C 117 41.388 42.097 -0.709 2
1 1306 . 1 1 A 117 117 ASP C C 117 175.973 175.326 0.647 2
1 1308 . 1 1 A 118 118 ALA N N 118 124.934 124.464 0.470 2
1 1309 . 1 1 A 118 118 ALA H H 118 8.312 8.337 -0.025 2
1 1310 . 1 1 A 118 118 ALA CA C 118 52.447 51.927 0.520 2
1 1311 . 1 1 A 118 118 ALA HA H 118 4.415 4.620 -0.205 2
1 1312 . 1 1 A 118 118 ALA CB C 118 19.339 20.494 -1.155 2
1 1316 . 1 1 A 118 118 ALA C C 118 176.848 176.921 -0.073 2
stop_
save_