data_16155_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16155 _Entry.PDB_ID 2KEO _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 1 246 . 1 1 1 A 42 42 THR H H 22 8.820 7.677 1.143 1 1 247 . 1 1 1 A 42 42 THR HA H 22 4.800 5.004 -0.204 1 1 252 . 1 1 1 A 42 42 THR C C 22 170.950 174.856 -3.906 1 1 253 . 1 1 1 A 42 42 THR CA C 22 60.870 54.569 6.301 1 1 254 . 1 1 1 A 42 42 THR CB C 22 71.510 35.712 35.798 1 1 256 . 1 1 1 A 42 42 THR N N 22 116.000 117.005 -1.005 1 1 257 . 1 1 1 A 43 43 VAL H H 23 8.140 8.684 -0.544 1 1 258 . 1 1 1 A 43 43 VAL HA H 23 4.830 4.583 0.247 1 1 266 . 1 1 1 A 43 43 VAL C C 23 176.470 174.522 1.948 1 1 267 . 1 1 1 A 43 43 VAL CA C 23 61.540 60.819 0.721 1 1 268 . 1 1 1 A 43 43 VAL CB C 23 32.270 32.981 -0.711 1 1 271 . 1 1 1 A 43 43 VAL N N 23 125.850 123.289 2.561 1 1 272 . 1 1 1 A 44 44 ILE H H 24 9.350 8.824 0.526 1 1 273 . 1 1 1 A 44 44 ILE HA H 24 4.220 4.318 -0.098 1 1 283 . 1 1 1 A 44 44 ILE C C 24 176.050 174.106 1.944 1 1 284 . 1 1 1 A 44 44 ILE CA C 24 60.880 63.252 -2.372 1 1 285 . 1 1 1 A 44 44 ILE CB C 24 40.830 68.802 -27.972 1 1 289 . 1 1 1 A 44 44 ILE N N 24 128.460 125.388 3.072 1 1 290 . 1 1 1 A 45 45 ASP H H 25 9.450 9.174 0.276 1 1 291 . 1 1 1 A 45 45 ASP HA H 25 4.320 5.248 -0.928 1 1 294 . 1 1 1 A 45 45 ASP C C 25 176.060 175.760 0.300 1 1 295 . 1 1 1 A 45 45 ASP CA C 25 55.170 53.462 1.708 1 1 296 . 1 1 1 A 45 45 ASP CB C 25 39.870 42.260 -2.390 1 1 297 . 1 1 1 A 45 45 ASP N N 25 129.730 128.560 1.170 1 1 298 . 1 1 1 A 46 46 GLY H H 26 8.360 8.865 -0.505 1 1 301 . 1 1 1 A 46 46 GLY C C 26 173.150 175.515 -2.365 1 1 302 . 1 1 1 A 46 46 GLY CA C 26 46.190 61.884 -15.694 1 1 303 . 1 1 1 A 46 46 GLY N N 26 102.380 125.632 -23.252 1 1 304 . 1 1 1 A 47 47 LYS H H 27 8.000 8.840 -0.840 1 1 305 . 1 1 1 A 47 47 LYS HA H 27 4.780 4.407 0.373 1 1 314 . 1 1 1 A 47 47 LYS C C 27 177.050 178.089 -1.039 1 1 315 . 1 1 1 A 47 47 LYS CA C 27 54.870 54.373 0.497 1 1 316 . 1 1 1 A 47 47 LYS CB C 27 36.020 32.286 3.734 1 1 320 . 1 1 1 A 47 47 LYS N N 27 121.330 125.477 -4.147 1 1 321 . 1 1 1 A 48 48 VAL H H 28 8.160 8.764 -0.604 1 1 322 . 1 1 1 A 48 48 VAL HA H 28 4.450 4.127 0.323 1 1 330 . 1 1 1 A 48 48 VAL C C 28 174.640 177.882 -3.242 1 1 331 . 1 1 1 A 48 48 VAL CA C 28 60.800 64.145 -3.345 1 1 332 . 1 1 1 A 48 48 VAL CB C 28 32.310 37.740 -5.430 1 1 335 . 1 1 1 A 48 48 VAL N N 28 119.880 124.639 -4.759 1 1 336 . 1 1 1 A 49 49 TYR H H 29 9.130 8.377 0.753 1 1 337 . 1 1 1 A 49 49 TYR HA H 29 5.200 4.025 1.175 1 1 344 . 1 1 1 A 49 49 TYR C C 29 174.540 179.913 -5.373 1 1 345 . 1 1 1 A 49 49 TYR CA C 29 56.640 55.921 0.719 1 1 346 . 1 1 1 A 49 49 TYR CB C 29 43.420 18.093 25.327 1 1 349 . 1 1 1 A 49 49 TYR N N 29 124.890 123.421 1.469 1 1 350 . 1 1 1 A 50 50 ASP H H 30 9.000 8.243 0.757 1 1 351 . 1 1 1 A 50 50 ASP HA H 30 5.330 4.472 0.858 1 1 354 . 1 1 1 A 50 50 ASP C C 30 176.020 178.793 -2.773 1 1 355 . 1 1 1 A 50 50 ASP CA C 30 53.180 57.526 -4.346 1 1 356 . 1 1 1 A 50 50 ASP CB C 30 40.910 40.284 0.626 1 1 357 . 1 1 1 A 50 50 ASP N N 30 119.790 119.699 0.091 1 1 358 . 1 1 1 A 51 51 ILE H H 31 8.700 8.000 0.700 1 1 359 . 1 1 1 A 51 51 ILE HA H 31 3.710 4.262 -0.552 1 1 369 . 1 1 1 A 51 51 ILE C C 31 178.070 178.768 -0.698 1 1 370 . 1 1 1 A 51 51 ILE CA C 31 60.750 58.161 2.589 1 1 371 . 1 1 1 A 51 51 ILE CB C 31 35.230 41.461 -6.231 1 1 375 . 1 1 1 A 51 51 ILE N N 31 125.270 121.130 4.140 1 1 376 . 1 1 1 A 52 52 LYS H H 32 8.030 7.883 0.147 1 1 377 . 1 1 1 A 52 52 LYS HA H 32 4.340 4.043 0.297 1 1 386 . 1 1 1 A 52 52 LYS C C 32 179.540 178.682 0.858 1 1 387 . 1 1 1 A 52 52 LYS CA C 32 59.380 59.740 -0.360 1 1 388 . 1 1 1 A 52 52 LYS CB C 32 31.930 29.795 2.135 1 1 392 . 1 1 1 A 52 52 LYS N N 32 120.520 118.900 1.620 1 1 393 . 1 1 1 A 53 53 ASP H H 33 7.810 8.281 -0.471 1 1 394 . 1 1 1 A 53 53 ASP HA H 33 4.620 4.528 0.092 1 1 397 . 1 1 1 A 53 53 ASP C C 33 177.670 177.746 -0.076 1 1 398 . 1 1 1 A 53 53 ASP CA C 33 56.840 56.003 0.837 1 1 399 . 1 1 1 A 53 53 ASP CB C 33 41.220 38.339 2.881 1 1 400 . 1 1 1 A 53 53 ASP N N 33 120.590 118.002 2.588 1 1 401 . 1 1 1 A 54 54 PHE H H 34 7.660 8.037 -0.377 1 1 402 . 1 1 1 A 54 54 PHE HA H 34 3.100 4.054 -0.954 1 1 410 . 1 1 1 A 54 54 PHE C C 34 176.960 176.814 0.146 1 1 411 . 1 1 1 A 54 54 PHE CA C 34 60.670 58.621 2.049 1 1 412 . 1 1 1 A 54 54 PHE CB C 34 38.870 29.148 9.722 1 1 416 . 1 1 1 A 54 54 PHE N N 34 120.480 121.103 -0.623 1 1 417 . 1 1 1 A 55 55 GLN H H 35 8.860 8.229 0.631 1 1 418 . 1 1 1 A 55 55 GLN HA H 35 3.660 4.354 -0.694 1 1 425 . 1 1 1 A 55 55 GLN C C 35 178.510 177.425 1.085 1 1 426 . 1 1 1 A 55 55 GLN CA C 35 58.980 56.921 2.059 1 1 427 . 1 1 1 A 55 55 GLN CB C 35 29.450 39.555 -10.105 1 1 429 . 1 1 1 A 55 55 GLN N N 35 119.060 117.005 2.055 1 1 431 . 1 1 1 A 56 56 THR H H 36 8.150 7.916 0.234 1 1 432 . 1 1 1 A 56 56 THR HA H 36 3.930 4.426 -0.496 1 1 437 . 1 1 1 A 56 56 THR C C 36 176.550 177.257 -0.707 1 1 438 . 1 1 1 A 56 56 THR CA C 36 66.070 56.469 9.601 1 1 439 . 1 1 1 A 56 56 THR CB C 36 69.030 38.858 30.172 1 1 441 . 1 1 1 A 56 56 THR N N 36 115.130 117.638 -2.508 1 1 442 . 1 1 1 A 57 57 GLN H H 37 8.230 7.454 0.776 1 1 443 . 1 1 1 A 57 57 GLN HA H 37 4.210 4.542 -0.332 1 1 450 . 1 1 1 A 57 57 GLN CA C 37 58.050 54.193 3.857 1 1 451 . 1 1 1 A 57 57 GLN CB C 37 28.290 40.927 -12.637 1 1 453 . 1 1 1 A 57 57 GLN N N 37 119.670 116.796 2.874 1 1 458 . 1 1 1 A 58 58 SER C C 38 174.020 174.462 -0.442 1 1 459 . 1 1 1 A 58 58 SER CA C 38 60.500 44.867 15.633 1 1 461 . 1 1 1 A 59 59 LEU H H 39 7.320 7.862 -0.542 1 1 465 . 1 1 1 A 59 59 LEU CA C 39 55.140 45.301 9.839 1 1 467 . 1 1 1 A 59 59 LEU N N 39 120.250 107.740 12.510 1 1 468 . 1 1 1 A 60 60 THR H H 40 7.510 9.089 -1.579 1 1 469 . 1 1 1 A 60 60 THR HA H 40 4.250 4.714 -0.464 1 1 474 . 1 1 1 A 60 60 THR C C 40 174.900 174.549 0.351 1 1 475 . 1 1 1 A 60 60 THR CA C 40 62.320 57.742 4.578 1 1 476 . 1 1 1 A 60 60 THR CB C 40 70.110 39.530 30.580 1 1 478 . 1 1 1 A 60 60 THR N N 40 112.820 126.366 -13.546 1 1 479 . 1 1 1 A 61 61 GLU H H 41 8.510 8.824 -0.314 1 1 480 . 1 1 1 A 61 61 GLU HA H 41 4.100 5.349 -1.249 1 1 485 . 1 1 1 A 61 61 GLU C C 41 176.720 175.361 1.359 1 1 486 . 1 1 1 A 61 61 GLU CA C 41 57.840 56.080 1.760 1 1 487 . 1 1 1 A 61 61 GLU CB C 41 29.840 33.267 -3.427 1 1 489 . 1 1 1 A 61 61 GLU N N 41 123.410 127.133 -3.723 1 1 490 . 1 1 1 A 62 62 ASN H H 42 8.600 8.452 0.148 1 1 491 . 1 1 1 A 62 62 ASN HA H 42 4.580 4.558 0.022 1 1 496 . 1 1 1 A 62 62 ASN C C 42 174.940 172.278 2.662 1 1 497 . 1 1 1 A 62 62 ASN CA C 42 53.760 60.152 -6.392 1 1 498 . 1 1 1 A 62 62 ASN CB C 42 38.130 70.538 -32.408 1 1 499 . 1 1 1 A 62 62 ASN N N 42 117.760 114.393 3.367 1 1 501 . 1 1 1 A 63 63 SER H H 43 7.800 8.542 -0.742 1 1 502 . 1 1 1 A 63 63 SER HA H 43 4.400 4.791 -0.391 1 1 505 . 1 1 1 A 63 63 SER C C 43 177.320 175.167 2.153 1 1 506 . 1 1 1 A 63 63 SER CA C 43 58.730 61.235 -2.505 1 1 507 . 1 1 1 A 63 63 SER CB C 43 64.210 32.258 31.952 1 1 508 . 1 1 1 A 63 63 SER N N 43 114.610 124.265 -9.655 1 1 509 . 1 1 1 A 64 64 ILE H H 44 8.710 8.773 -0.063 1 1 510 . 1 1 1 A 64 64 ILE HA H 44 4.180 4.473 -0.293 1 1 520 . 1 1 1 A 64 64 ILE C C 44 176.550 175.897 0.653 1 1 521 . 1 1 1 A 64 64 ILE CA C 44 63.280 60.011 3.269 1 1 522 . 1 1 1 A 64 64 ILE CB C 44 38.110 40.572 -2.462 1 1 526 . 1 1 1 A 64 64 ILE N N 44 125.240 127.206 -1.966 1 1 527 . 1 1 1 A 65 65 LEU H H 45 8.160 9.464 -1.304 1 1 528 . 1 1 1 A 65 65 LEU HA H 45 4.450 4.297 0.153 1 1 538 . 1 1 1 A 65 65 LEU C C 45 177.800 175.543 2.257 1 1 539 . 1 1 1 A 65 65 LEU CA C 45 54.820 55.122 -0.302 1 1 540 . 1 1 1 A 65 65 LEU CB C 45 41.790 39.762 2.028 1 1 544 . 1 1 1 A 65 65 LEU N N 45 118.980 127.935 -8.955 1 1 545 . 1 1 1 A 66 66 ALA H H 46 7.700 8.702 -1.002 1 1 550 . 1 1 1 A 66 66 ALA C C 46 179.870 173.813 6.057 1 1 551 . 1 1 1 A 66 66 ALA CA C 46 54.980 45.995 8.985 1 1 553 . 1 1 1 A 66 66 ALA N N 46 122.830 104.073 18.757 1 1 554 . 1 1 1 A 67 67 GLN H H 47 7.920 7.720 0.200 1 1 555 . 1 1 1 A 67 67 GLN HA H 47 4.110 4.795 -0.685 1 1 562 . 1 1 1 A 67 67 GLN C C 47 175.990 174.785 1.205 1 1 563 . 1 1 1 A 67 67 GLN CA C 47 57.170 54.097 3.073 1 1 564 . 1 1 1 A 67 67 GLN CB C 47 28.180 36.162 -7.982 1 1 566 . 1 1 1 A 67 67 GLN N N 47 115.030 120.076 -5.046 1 1 568 . 1 1 1 A 68 68 PHE H H 48 7.790 8.228 -0.438 1 1 569 . 1 1 1 A 68 68 PHE HA H 48 4.690 5.047 -0.357 1 1 576 . 1 1 1 A 68 68 PHE C C 48 175.620 174.563 1.057 1 1 577 . 1 1 1 A 68 68 PHE CA C 48 57.220 60.900 -3.680 1 1 578 . 1 1 1 A 68 68 PHE CB C 48 39.320 33.297 6.023 1 1 581 . 1 1 1 A 68 68 PHE N N 48 118.560 121.086 -2.526 1 1 582 . 1 1 1 A 69 69 ALA H H 49 7.600 8.789 -1.189 1 1 583 . 1 1 1 A 69 69 ALA HA H 49 4.120 5.347 -1.227 1 1 587 . 1 1 1 A 69 69 ALA C C 49 178.250 174.457 3.793 1 1 588 . 1 1 1 A 69 69 ALA CA C 49 53.920 55.693 -1.773 1 1 589 . 1 1 1 A 69 69 ALA CB C 49 18.660 41.358 -22.698 1 1 590 . 1 1 1 A 69 69 ALA N N 49 123.340 125.710 -2.370 1 1 591 . 1 1 1 A 70 70 GLY H H 50 8.500 8.841 -0.341 1 1 594 . 1 1 1 A 70 70 GLY C C 50 174.070 176.446 -2.376 1 1 595 . 1 1 1 A 70 70 GLY CA C 50 45.390 53.028 -7.638 1 1 596 . 1 1 1 A 70 70 GLY N N 50 108.770 123.917 -15.147 1 1 597 . 1 1 1 A 71 71 GLU H H 51 7.800 8.486 -0.686 1 1 598 . 1 1 1 A 71 71 GLU HA H 51 4.430 3.921 0.509 1 1 603 . 1 1 1 A 71 71 GLU C C 51 176.220 178.268 -2.048 1 1 604 . 1 1 1 A 71 71 GLU CA C 51 55.430 64.620 -9.190 1 1 605 . 1 1 1 A 71 71 GLU CB C 51 30.980 37.039 -6.059 1 1 607 . 1 1 1 A 71 71 GLU N N 51 119.390 125.608 -6.218 1 1 608 . 1 1 1 A 72 72 ASP H H 52 8.830 8.090 0.740 1 1 609 . 1 1 1 A 72 72 ASP HA H 52 4.850 4.160 0.690 1 1 612 . 1 1 1 A 72 72 ASP CA C 52 52.110 60.005 -7.895 1 1 613 . 1 1 1 A 72 72 ASP CB C 52 42.070 32.408 9.662 1 1 614 . 1 1 1 A 72 72 ASP N N 52 123.830 122.950 0.880 1 1 615 . 1 1 1 A 73 73 PRO HA H 53 4.410 4.530 -0.120 1 1 622 . 1 1 1 A 73 73 PRO C C 53 177.290 178.573 -1.283 1 1 623 . 1 1 1 A 73 73 PRO CA C 53 64.940 57.321 7.619 1 1 624 . 1 1 1 A 73 73 PRO CB C 53 32.130 40.717 -8.587 1 1 627 . 1 1 1 A 74 74 VAL H H 54 7.950 8.173 -0.223 1 1 628 . 1 1 1 A 74 74 VAL HA H 54 3.360 3.510 -0.150 1 1 636 . 1 1 1 A 74 74 VAL C C 54 177.540 177.602 -0.062 1 1 637 . 1 1 1 A 74 74 VAL CA C 54 66.820 61.740 5.080 1 1 638 . 1 1 1 A 74 74 VAL CB C 54 31.310 38.934 -7.624 1 1 641 . 1 1 1 A 74 74 VAL N N 54 118.670 120.484 -1.814 1 1 642 . 1 1 1 A 75 75 VAL H H 55 7.090 8.532 -1.442 1 1 643 . 1 1 1 A 75 75 VAL HA H 55 3.620 4.151 -0.531 1 1 651 . 1 1 1 A 75 75 VAL C C 55 175.050 177.992 -2.942 1 1 652 . 1 1 1 A 75 75 VAL CA C 55 65.440 58.594 6.846 1 1 653 . 1 1 1 A 75 75 VAL CB C 55 32.210 27.718 4.492 1 1 656 . 1 1 1 A 75 75 VAL N N 55 120.340 117.645 2.695 1 1 657 . 1 1 1 A 76 76 ALA H H 56 8.050 7.510 0.540 1 1 658 . 1 1 1 A 76 76 ALA HA H 56 3.870 3.829 0.041 1 1 662 . 1 1 1 A 76 76 ALA C C 56 178.160 176.939 1.221 1 1 663 . 1 1 1 A 76 76 ALA CA C 56 54.840 67.340 -12.500 1 1 664 . 1 1 1 A 76 76 ALA CB C 56 19.250 68.351 -49.101 1 1 665 . 1 1 1 A 76 76 ALA N N 56 121.910 119.022 2.888 1 1 666 . 1 1 1 A 77 77 LEU H H 57 7.720 7.525 0.195 1 1 667 . 1 1 1 A 77 77 LEU HA H 57 3.170 4.177 -1.007 1 1 677 . 1 1 1 A 77 77 LEU C C 57 178.010 178.609 -0.599 1 1 678 . 1 1 1 A 77 77 LEU CA C 57 58.260 58.501 -0.241 1 1 679 . 1 1 1 A 77 77 LEU CB C 57 39.970 28.351 11.619 1 1 683 . 1 1 1 A 77 77 LEU N N 57 120.030 120.296 -0.266 1 1 684 . 1 1 1 A 78 78 GLU H H 58 7.840 7.645 0.195 1 1 685 . 1 1 1 A 78 78 GLU HA H 58 3.510 4.203 -0.693 1 1 690 . 1 1 1 A 78 78 GLU C C 58 179.140 176.297 2.843 1 1 691 . 1 1 1 A 78 78 GLU CA C 58 60.290 60.927 -0.637 1 1 692 . 1 1 1 A 78 78 GLU CB C 58 29.420 63.102 -33.682 1 1 694 . 1 1 1 A 78 78 GLU N N 58 116.990 115.484 1.506 1 1 695 . 1 1 1 A 79 79 ALA H H 59 7.710 7.452 0.258 1 1 696 . 1 1 1 A 79 79 ALA HA H 59 3.940 4.319 -0.379 1 1 700 . 1 1 1 A 79 79 ALA C C 59 180.360 177.182 3.178 1 1 701 . 1 1 1 A 79 79 ALA CA C 59 54.790 55.723 -0.933 1 1 702 . 1 1 1 A 79 79 ALA CB C 59 17.930 42.485 -24.555 1 1 703 . 1 1 1 A 79 79 ALA N N 59 120.690 118.911 1.779 1 1 704 . 1 1 1 A 80 80 ALA H H 60 8.220 7.369 0.851 1 1 705 . 1 1 1 A 80 80 ALA HA H 60 3.970 4.367 -0.397 1 1 709 . 1 1 1 A 80 80 ALA C C 60 180.570 174.227 6.343 1 1 710 . 1 1 1 A 80 80 ALA CA C 60 54.160 62.484 -8.324 1 1 711 . 1 1 1 A 80 80 ALA CB C 60 18.830 69.707 -50.877 1 1 712 . 1 1 1 A 80 80 ALA N N 60 122.230 113.677 8.553 1 1 713 . 1 1 1 A 81 81 LEU H H 61 7.800 8.789 -0.989 1 1 714 . 1 1 1 A 81 81 LEU HA H 61 3.890 3.989 -0.099 1 1 724 . 1 1 1 A 81 81 LEU C C 61 177.590 177.133 0.457 1 1 725 . 1 1 1 A 81 81 LEU CA C 61 56.650 57.992 -1.342 1 1 726 . 1 1 1 A 81 81 LEU CB C 61 42.630 29.747 12.883 1 1 730 . 1 1 1 A 81 81 LEU N N 61 116.150 127.467 -11.317 1 1 731 . 1 1 1 A 82 82 GLN H H 62 7.450 8.967 -1.517 1 1 732 . 1 1 1 A 82 82 GLN HA H 62 4.250 4.343 -0.093 1 1 739 . 1 1 1 A 82 82 GLN C C 62 176.120 174.825 1.295 1 1 740 . 1 1 1 A 82 82 GLN CA C 62 55.880 54.973 0.907 1 1 741 . 1 1 1 A 82 82 GLN CB C 62 29.330 37.106 -7.776 1 1 743 . 1 1 1 A 82 82 GLN N N 62 115.740 119.230 -3.490 1 1 745 . 1 1 1 A 83 83 PHE H H 63 7.300 7.273 0.027 1 1 746 . 1 1 1 A 83 83 PHE HA H 63 4.900 4.489 0.411 1 1 753 . 1 1 1 A 83 83 PHE C C 63 176.470 175.574 0.896 1 1 754 . 1 1 1 A 83 83 PHE CA C 63 56.260 58.869 -2.609 1 1 755 . 1 1 1 A 83 83 PHE CB C 63 39.000 64.038 -25.038 1 1 758 . 1 1 1 A 83 83 PHE N N 63 120.420 114.908 5.512 1 1 759 . 1 1 1 A 84 84 GLU H H 64 9.090 8.855 0.235 1 1 760 . 1 1 1 A 84 84 GLU HA H 64 3.850 3.890 -0.040 1 1 765 . 1 1 1 A 84 84 GLU C C 64 178.010 176.463 1.547 1 1 766 . 1 1 1 A 84 84 GLU CA C 64 59.910 63.812 -3.902 1 1 767 . 1 1 1 A 84 84 GLU CB C 64 29.640 37.744 -8.104 1 1 769 . 1 1 1 A 84 84 GLU N N 64 126.260 124.097 2.163 1 1 770 . 1 1 1 A 85 85 ASP H H 65 7.670 7.731 -0.061 1 1 771 . 1 1 1 A 85 85 ASP HA H 65 4.480 4.634 -0.154 1 1 774 . 1 1 1 A 85 85 ASP C C 65 177.530 178.342 -0.812 1 1 775 . 1 1 1 A 85 85 ASP CA C 65 56.290 55.695 0.595 1 1 776 . 1 1 1 A 85 85 ASP CB C 65 40.480 41.906 -1.426 1 1 777 . 1 1 1 A 85 85 ASP N N 65 114.070 121.547 -7.477 1 1 778 . 1 1 1 A 86 86 THR H H 66 7.560 7.779 -0.219 1 1 779 . 1 1 1 A 86 86 THR HA H 66 4.530 4.287 0.243 1 1 784 . 1 1 1 A 86 86 THR C C 66 176.820 179.811 -2.991 1 1 785 . 1 1 1 A 86 86 THR CA C 66 62.380 54.837 7.543 1 1 786 . 1 1 1 A 86 86 THR CB C 66 70.200 18.158 52.042 1 1 788 . 1 1 1 A 86 86 THR N N 66 106.640 122.157 -15.517 1 1 789 . 1 1 1 A 87 87 ARG H H 67 8.100 8.385 -0.285 1 1 790 . 1 1 1 A 87 87 ARG HA H 67 4.020 4.057 -0.037 1 1 797 . 1 1 1 A 87 87 ARG C C 67 178.760 176.227 2.533 1 1 798 . 1 1 1 A 87 87 ARG CA C 67 61.140 57.511 3.629 1 1 799 . 1 1 1 A 87 87 ARG CB C 67 30.220 27.109 3.111 1 1 802 . 1 1 1 A 87 87 ARG N N 67 124.220 115.422 8.798 1 1 803 . 1 1 1 A 88 88 GLU H H 68 8.790 7.480 1.310 1 1 804 . 1 1 1 A 88 88 GLU HA H 68 4.090 4.612 -0.522 1 1 809 . 1 1 1 A 88 88 GLU C C 68 179.320 176.246 3.074 1 1 810 . 1 1 1 A 88 88 GLU CA C 68 59.150 57.561 1.589 1 1 811 . 1 1 1 A 88 88 GLU CB C 68 28.930 38.777 -9.847 1 1 813 . 1 1 1 A 88 88 GLU N N 68 118.790 117.937 0.853 1 1 814 . 1 1 1 A 89 89 SER H H 69 8.140 7.813 0.327 1 1 815 . 1 1 1 A 89 89 SER HA H 69 4.390 4.435 -0.045 1 1 818 . 1 1 1 A 89 89 SER C C 69 176.100 179.504 -3.404 1 1 819 . 1 1 1 A 89 89 SER CA C 69 61.000 54.858 6.142 1 1 820 . 1 1 1 A 89 89 SER CB C 69 63.190 18.369 44.821 1 1 821 . 1 1 1 A 89 89 SER N N 69 115.570 123.089 -7.519 1 1 822 . 1 1 1 A 90 90 MET H H 70 7.690 8.304 -0.614 1 1 831 . 1 1 1 A 90 90 MET C C 70 177.990 173.609 4.381 1 1 832 . 1 1 1 A 90 90 MET CA C 70 55.140 45.478 9.662 1 1 836 . 1 1 1 A 90 90 MET N N 70 118.160 106.312 11.848 1 1 837 . 1 1 1 A 91 91 HIS H H 71 7.740 7.783 -0.043 1 1 838 . 1 1 1 A 91 91 HIS HA H 71 4.430 4.742 -0.312 1 1 842 . 1 1 1 A 91 91 HIS C C 71 177.460 175.240 2.220 1 1 843 . 1 1 1 A 91 91 HIS CA C 71 58.830 54.582 4.248 1 1 844 . 1 1 1 A 91 91 HIS CB C 71 29.680 32.778 -3.098 1 1 846 . 1 1 1 A 91 91 HIS N N 71 118.990 121.262 -2.272 1 1 847 . 1 1 1 A 92 92 ALA H H 72 7.230 8.801 -1.571 1 1 848 . 1 1 1 A 92 92 ALA HA H 72 3.900 4.588 -0.688 1 1 852 . 1 1 1 A 92 92 ALA C C 72 177.850 176.453 1.397 1 1 853 . 1 1 1 A 92 92 ALA CA C 72 53.840 52.880 0.960 1 1 854 . 1 1 1 A 92 92 ALA CB C 72 18.250 40.436 -22.186 1 1 855 . 1 1 1 A 92 92 ALA N N 72 120.170 126.165 -5.995 1 1 857 . 1 1 1 A 93 93 PHE HA H 73 4.970 4.490 0.480 1 1 865 . 1 1 1 A 93 93 PHE C C 73 174.000 178.791 -4.791 1 1 866 . 1 1 1 A 93 93 PHE CA C 73 56.420 65.457 -9.037 1 1 867 . 1 1 1 A 93 93 PHE CB C 73 39.050 31.970 7.080 1 1 871 . 1 1 1 A 93 93 PHE N N 73 113.910 139.008 -25.098 1 1 872 . 1 1 1 A 94 94 CYS H H 74 7.690 7.144 0.546 1 1 873 . 1 1 1 A 94 94 CYS HA H 74 4.120 3.549 0.571 1 1 876 . 1 1 1 A 94 94 CYS C C 74 174.900 177.825 -2.925 1 1 877 . 1 1 1 A 94 94 CYS CA C 74 58.200 65.010 -6.810 1 1 878 . 1 1 1 A 94 94 CYS CB C 74 27.320 31.246 -3.926 1 1 879 . 1 1 1 A 94 94 CYS N N 74 121.190 116.683 4.507 1 1 880 . 1 1 1 A 95 95 VAL H H 75 8.770 7.987 0.783 1 1 881 . 1 1 1 A 95 95 VAL HA H 75 3.820 3.652 0.168 1 1 889 . 1 1 1 A 95 95 VAL C C 75 175.640 178.037 -2.397 1 1 890 . 1 1 1 A 95 95 VAL CA C 75 62.250 66.086 -3.836 1 1 891 . 1 1 1 A 95 95 VAL CB C 75 32.280 31.275 1.005 1 1 894 . 1 1 1 A 95 95 VAL N N 75 128.310 120.957 7.353 1 1 895 . 1 1 1 A 96 96 GLY H H 76 7.130 8.040 -0.910 1 1 898 . 1 1 1 A 96 96 GLY C C 76 171.220 179.676 -8.456 1 1 899 . 1 1 1 A 96 96 GLY CA C 76 44.940 54.852 -9.912 1 1 900 . 1 1 1 A 96 96 GLY N N 76 105.330 121.603 -16.273 1 1 901 . 1 1 1 A 97 97 GLN H H 77 8.590 7.672 0.918 1 1 902 . 1 1 1 A 97 97 GLN HA H 77 4.460 3.783 0.677 1 1 909 . 1 1 1 A 97 97 GLN C C 77 174.070 178.564 -4.494 1 1 910 . 1 1 1 A 97 97 GLN CA C 77 54.860 57.354 -2.494 1 1 911 . 1 1 1 A 97 97 GLN CB C 77 30.820 41.349 -10.529 1 1 913 . 1 1 1 A 97 97 GLN N N 77 120.500 120.593 -0.093 1 1 915 . 1 1 1 A 98 98 TYR H H 78 8.440 8.168 0.272 1 1 916 . 1 1 1 A 98 98 TYR HA H 78 4.960 3.894 1.066 1 1 923 . 1 1 1 A 98 98 TYR C C 78 174.460 179.196 -4.736 1 1 924 . 1 1 1 A 98 98 TYR CA C 78 56.660 59.229 -2.569 1 1 925 . 1 1 1 A 98 98 TYR CB C 78 40.450 29.321 11.129 1 1 928 . 1 1 1 A 98 98 TYR N N 78 125.460 118.479 6.981 1 1 929 . 1 1 1 A 99 99 LEU H H 79 8.100 7.665 0.435 1 1 930 . 1 1 1 A 99 99 LEU HA H 79 4.360 4.036 0.324 1 1 940 . 1 1 1 A 99 99 LEU C C 79 173.790 180.027 -6.237 1 1 941 . 1 1 1 A 99 99 LEU CA C 79 53.110 54.628 -1.518 1 1 942 . 1 1 1 A 99 99 LEU CB C 79 43.200 17.874 25.326 1 1 946 . 1 1 1 A 99 99 LEU N N 79 131.670 123.021 8.649 1 1 947 . 1 1 1 A 100 100 GLU H H 80 8.160 7.432 0.728 1 1 948 . 1 1 1 A 100 100 GLU HA H 80 4.140 4.402 -0.262 1 1 953 . 1 1 1 A 100 100 GLU CA C 80 54.540 54.940 -0.400 1 1 954 . 1 1 1 A 100 100 GLU CB C 80 29.270 18.626 10.644 1 1 956 . 1 1 1 A 100 100 GLU N N 80 125.120 120.406 4.714 1 1 957 . 1 1 1 A 101 101 PRO HA H 81 4.380 3.965 0.415 1 1 964 . 1 1 1 A 101 101 PRO C C 81 177.370 179.220 -1.850 1 1 965 . 1 1 1 A 101 101 PRO CA C 81 64.050 57.685 6.365 1 1 966 . 1 1 1 A 101 101 PRO CB C 81 32.130 41.303 -9.173 1 1 969 . 1 1 1 A 102 102 ASP H H 82 8.430 7.909 0.521 1 1 970 . 1 1 1 A 102 102 ASP HA H 82 4.550 4.054 0.496 1 1 973 . 1 1 1 A 102 102 ASP C C 82 176.950 176.814 0.136 1 1 974 . 1 1 1 A 102 102 ASP CA C 82 54.680 58.912 -4.232 1 1 975 . 1 1 1 A 102 102 ASP CB C 82 40.630 28.843 11.787 1 1 976 . 1 1 1 A 102 102 ASP N N 82 118.470 118.636 -0.166 1 1 977 . 1 1 1 A 103 103 GLN H H 83 8.230 7.696 0.534 1 1 978 . 1 1 1 A 103 103 GLN HA H 83 4.340 4.846 -0.506 1 1 985 . 1 1 1 A 103 103 GLN C C 83 176.210 176.703 -0.493 1 1 986 . 1 1 1 A 103 103 GLN CA C 83 55.640 57.386 -1.746 1 1 987 . 1 1 1 A 103 103 GLN CB C 83 29.630 39.681 -10.051 1 1 989 . 1 1 1 A 103 103 GLN N N 83 119.650 120.428 -0.778 1 1 991 . 1 1 1 A 104 104 GLU H H 84 8.250 8.829 -0.579 1 1 992 . 1 1 1 A 104 104 GLU HA H 84 4.220 4.020 0.200 1 1 997 . 1 1 1 A 104 104 GLU C C 84 177.100 178.158 -1.058 1 1 998 . 1 1 1 A 104 104 GLU CA C 84 57.220 58.949 -1.729 1 1 999 . 1 1 1 A 104 104 GLU CB C 84 30.320 28.977 1.343 1 1 1001 . 1 1 1 A 104 104 GLU N N 84 121.670 125.931 -4.261 1 1 1002 . 1 1 1 A 105 105 GLY H H 85 8.450 7.163 1.287 1 1 1005 . 1 1 1 A 105 105 GLY C C 85 174.000 178.028 -4.028 1 1 1006 . 1 1 1 A 105 105 GLY CA C 85 45.410 57.040 -11.630 1 1 1007 . 1 1 1 A 105 105 GLY N N 85 109.870 120.446 -10.576 1 1 1008 . 1 1 1 A 106 106 VAL H H 86 7.900 8.040 -0.140 1 1 1009 . 1 1 1 A 106 106 VAL HA H 86 4.190 4.329 -0.139 1 1 1017 . 1 1 1 A 106 106 VAL C C 86 176.300 175.866 0.434 1 1 1018 . 1 1 1 A 106 106 VAL CA C 86 62.190 64.688 -2.498 1 1 1019 . 1 1 1 A 106 106 VAL CB C 86 32.860 68.945 -36.085 1 1 1022 . 1 1 1 A 106 106 VAL N N 86 119.330 113.781 5.549 1 1 1023 . 1 1 1 A 107 107 THR H H 87 8.320 8.463 -0.143 1 1 1024 . 1 1 1 A 107 107 THR HA H 87 4.350 4.247 0.103 1 1 1029 . 1 1 1 A 107 107 THR C C 87 174.050 177.705 -3.655 1 1 1030 . 1 1 1 A 107 107 THR CA C 87 61.870 57.307 4.563 1 1 1031 . 1 1 1 A 107 107 THR CB C 87 69.910 29.057 40.853 1 1 1033 . 1 1 1 A 107 107 THR N N 87 119.480 122.469 -2.989 1 1 1034 . 1 1 1 A 108 108 ILE H H 88 8.360 8.229 0.131 1 1 1035 . 1 1 1 A 108 108 ILE HA H 88 4.470 4.301 0.169 1 1 1045 . 1 1 1 A 108 108 ILE CA C 88 58.410 59.772 -1.362 1 1 1046 . 1 1 1 A 108 108 ILE CB C 88 38.530 29.415 9.115 1 1 1050 . 1 1 1 A 108 108 ILE N N 88 126.140 119.087 7.053 1 1 1051 . 1 1 1 A 109 109 PRO HA H 89 4.380 4.176 0.204 1 1 1058 . 1 1 1 A 109 109 PRO C C 89 176.290 176.752 -0.462 1 1 1059 . 1 1 1 A 109 109 PRO CA C 89 63.210 61.199 2.011 1 1 1060 . 1 1 1 A 109 109 PRO CB C 89 32.220 63.211 -30.991 1 1 1063 . 1 1 1 A 110 110 ASP H H 90 8.370 8.395 -0.025 1 1 1064 . 1 1 1 A 110 110 ASP HA H 90 4.580 4.691 -0.111 1 1 1067 . 1 1 1 A 110 110 ASP C C 90 176.200 179.043 -2.843 1 1 1068 . 1 1 1 A 110 110 ASP CA C 90 54.290 58.163 -3.873 1 1 1069 . 1 1 1 A 110 110 ASP CB C 90 41.120 31.748 9.372 1 1 1070 . 1 1 1 A 110 110 ASP N N 90 120.470 119.487 0.983 1 1 1071 . 1 1 1 A 111 111 LEU H H 91 8.250 8.261 -0.011 1 1 1072 . 1 1 1 A 111 111 LEU HA H 91 4.370 4.496 -0.126 1 1 1081 . 1 1 1 A 111 111 LEU C C 91 177.040 177.562 -0.522 1 1 1082 . 1 1 1 A 111 111 LEU CA C 91 55.060 59.332 -4.272 1 1 1083 . 1 1 1 A 111 111 LEU CB C 91 42.290 29.290 13.000 1 1 1086 . 1 1 1 A 111 111 LEU N N 91 123.570 117.756 5.814 1 1 1087 . 1 1 1 A 112 112 GLY H H 92 8.080 7.776 0.304 1 1 1090 . 1 1 1 A 112 112 GLY CA C 92 46.190 54.626 -8.436 1 1 246 . 2 1 1 A 42 42 THR H H 22 8.820 8.129 0.691 1 1 247 . 2 1 1 A 42 42 THR HA H 22 4.800 4.435 0.365 1 1 252 . 2 1 1 A 42 42 THR C C 22 170.950 174.938 -3.988 1 1 253 . 2 1 1 A 42 42 THR CA C 22 60.870 54.533 6.337 1 1 254 . 2 1 1 A 42 42 THR CB C 22 71.510 32.121 39.389 1 1 256 . 2 1 1 A 42 42 THR N N 22 116.000 118.338 -2.338 1 1 257 . 2 1 1 A 43 43 VAL H H 23 8.140 8.692 -0.552 1 1 258 . 2 1 1 A 43 43 VAL HA H 23 4.830 4.135 0.695 1 1 266 . 2 1 1 A 43 43 VAL C C 23 176.470 175.982 0.488 1 1 267 . 2 1 1 A 43 43 VAL CA C 23 61.540 62.482 -0.942 1 1 268 . 2 1 1 A 43 43 VAL CB C 23 32.270 33.011 -0.741 1 1 271 . 2 1 1 A 43 43 VAL N N 23 125.850 125.104 0.746 1 1 272 . 2 1 1 A 44 44 ILE H H 24 9.350 8.579 0.771 1 1 273 . 2 1 1 A 44 44 ILE HA H 24 4.220 4.153 0.067 1 1 283 . 2 1 1 A 44 44 ILE C C 24 176.050 174.095 1.955 1 1 284 . 2 1 1 A 44 44 ILE CA C 24 60.880 63.577 -2.697 1 1 285 . 2 1 1 A 44 44 ILE CB C 24 40.830 68.662 -27.832 1 1 289 . 2 1 1 A 44 44 ILE N N 24 128.460 122.312 6.148 1 1 290 . 2 1 1 A 45 45 ASP H H 25 9.450 9.071 0.379 1 1 291 . 2 1 1 A 45 45 ASP HA H 25 4.320 5.099 -0.779 1 1 294 . 2 1 1 A 45 45 ASP C C 25 176.060 175.784 0.276 1 1 295 . 2 1 1 A 45 45 ASP CA C 25 55.170 53.617 1.553 1 1 296 . 2 1 1 A 45 45 ASP CB C 25 39.870 41.576 -1.706 1 1 297 . 2 1 1 A 45 45 ASP N N 25 129.730 128.599 1.131 1 1 298 . 2 1 1 A 46 46 GLY H H 26 8.360 8.838 -0.478 1 1 301 . 2 1 1 A 46 46 GLY C C 26 173.150 175.585 -2.435 1 1 302 . 2 1 1 A 46 46 GLY CA C 26 46.190 62.024 -15.834 1 1 303 . 2 1 1 A 46 46 GLY N N 26 102.380 125.344 -22.964 1 1 304 . 2 1 1 A 47 47 LYS H H 27 8.000 8.764 -0.764 1 1 305 . 2 1 1 A 47 47 LYS HA H 27 4.780 4.605 0.175 1 1 314 . 2 1 1 A 47 47 LYS C C 27 177.050 178.180 -1.130 1 1 315 . 2 1 1 A 47 47 LYS CA C 27 54.870 54.938 -0.068 1 1 316 . 2 1 1 A 47 47 LYS CB C 27 36.020 31.556 4.464 1 1 320 . 2 1 1 A 47 47 LYS N N 27 121.330 125.775 -4.445 1 1 321 . 2 1 1 A 48 48 VAL H H 28 8.160 8.750 -0.590 1 1 322 . 2 1 1 A 48 48 VAL HA H 28 4.450 4.093 0.357 1 1 330 . 2 1 1 A 48 48 VAL C C 28 174.640 177.848 -3.208 1 1 331 . 2 1 1 A 48 48 VAL CA C 28 60.800 64.376 -3.576 1 1 332 . 2 1 1 A 48 48 VAL CB C 28 32.310 37.697 -5.387 1 1 335 . 2 1 1 A 48 48 VAL N N 28 119.880 124.686 -4.806 1 1 336 . 2 1 1 A 49 49 TYR H H 29 9.130 8.398 0.732 1 1 337 . 2 1 1 A 49 49 TYR HA H 29 5.200 4.076 1.124 1 1 344 . 2 1 1 A 49 49 TYR C C 29 174.540 180.196 -5.656 1 1 345 . 2 1 1 A 49 49 TYR CA C 29 56.640 55.331 1.309 1 1 346 . 2 1 1 A 49 49 TYR CB C 29 43.420 17.837 25.583 1 1 349 . 2 1 1 A 49 49 TYR N N 29 124.890 123.292 1.598 1 1 350 . 2 1 1 A 50 50 ASP H H 30 9.000 8.278 0.722 1 1 351 . 2 1 1 A 50 50 ASP HA H 30 5.330 4.491 0.839 1 1 354 . 2 1 1 A 50 50 ASP C C 30 176.020 179.316 -3.296 1 1 355 . 2 1 1 A 50 50 ASP CA C 30 53.180 57.597 -4.417 1 1 356 . 2 1 1 A 50 50 ASP CB C 30 40.910 40.281 0.629 1 1 357 . 2 1 1 A 50 50 ASP N N 30 119.790 119.889 -0.099 1 1 358 . 2 1 1 A 51 51 ILE H H 31 8.700 8.153 0.547 1 1 359 . 2 1 1 A 51 51 ILE HA H 31 3.710 4.296 -0.586 1 1 369 . 2 1 1 A 51 51 ILE C C 31 178.070 179.331 -1.261 1 1 370 . 2 1 1 A 51 51 ILE CA C 31 60.750 58.260 2.490 1 1 371 . 2 1 1 A 51 51 ILE CB C 31 35.230 41.683 -6.453 1 1 375 . 2 1 1 A 51 51 ILE N N 31 125.270 121.393 3.877 1 1 376 . 2 1 1 A 52 52 LYS H H 32 8.030 7.632 0.398 1 1 377 . 2 1 1 A 52 52 LYS HA H 32 4.340 3.940 0.400 1 1 386 . 2 1 1 A 52 52 LYS C C 32 179.540 179.248 0.292 1 1 387 . 2 1 1 A 52 52 LYS CA C 32 59.380 59.775 -0.395 1 1 388 . 2 1 1 A 52 52 LYS CB C 32 31.930 29.522 2.408 1 1 392 . 2 1 1 A 52 52 LYS N N 32 120.520 117.208 3.312 1 1 393 . 2 1 1 A 53 53 ASP H H 33 7.810 8.119 -0.309 1 1 394 . 2 1 1 A 53 53 ASP HA H 33 4.620 4.428 0.192 1 1 397 . 2 1 1 A 53 53 ASP C C 33 177.670 177.949 -0.279 1 1 398 . 2 1 1 A 53 53 ASP CA C 33 56.840 56.325 0.515 1 1 399 . 2 1 1 A 53 53 ASP CB C 33 41.220 38.580 2.640 1 1 400 . 2 1 1 A 53 53 ASP N N 33 120.590 118.074 2.516 1 1 401 . 2 1 1 A 54 54 PHE H H 34 7.660 7.880 -0.220 1 1 402 . 2 1 1 A 54 54 PHE HA H 34 3.100 3.950 -0.850 1 1 410 . 2 1 1 A 54 54 PHE C C 34 176.960 176.935 0.025 1 1 411 . 2 1 1 A 54 54 PHE CA C 34 60.670 59.882 0.788 1 1 412 . 2 1 1 A 54 54 PHE CB C 34 38.870 29.050 9.820 1 1 416 . 2 1 1 A 54 54 PHE N N 34 120.480 120.168 0.312 1 1 417 . 2 1 1 A 55 55 GLN H H 35 8.860 8.139 0.721 1 1 418 . 2 1 1 A 55 55 GLN HA H 35 3.660 4.694 -1.034 1 1 425 . 2 1 1 A 55 55 GLN C C 35 178.510 177.483 1.027 1 1 426 . 2 1 1 A 55 55 GLN CA C 35 58.980 56.816 2.164 1 1 427 . 2 1 1 A 55 55 GLN CB C 35 29.450 39.245 -9.795 1 1 429 . 2 1 1 A 55 55 GLN N N 35 119.060 116.558 2.502 1 1 431 . 2 1 1 A 56 56 THR H H 36 8.150 7.910 0.240 1 1 432 . 2 1 1 A 56 56 THR HA H 36 3.930 4.402 -0.472 1 1 437 . 2 1 1 A 56 56 THR C C 36 176.550 177.304 -0.754 1 1 438 . 2 1 1 A 56 56 THR CA C 36 66.070 55.498 10.572 1 1 439 . 2 1 1 A 56 56 THR CB C 36 69.030 38.284 30.746 1 1 441 . 2 1 1 A 56 56 THR N N 36 115.130 117.430 -2.300 1 1 442 . 2 1 1 A 57 57 GLN H H 37 8.230 7.443 0.787 1 1 443 . 2 1 1 A 57 57 GLN HA H 37 4.210 4.536 -0.326 1 1 450 . 2 1 1 A 57 57 GLN CA C 37 58.050 54.674 3.376 1 1 451 . 2 1 1 A 57 57 GLN CB C 37 28.290 41.126 -12.836 1 1 453 . 2 1 1 A 57 57 GLN N N 37 119.670 117.852 1.818 1 1 458 . 2 1 1 A 58 58 SER C C 38 174.020 173.879 0.141 1 1 459 . 2 1 1 A 58 58 SER CA C 38 60.500 45.055 15.445 1 1 461 . 2 1 1 A 59 59 LEU H H 39 7.320 7.400 -0.080 1 1 465 . 2 1 1 A 59 59 LEU CA C 39 55.140 45.279 9.861 1 1 467 . 2 1 1 A 59 59 LEU N N 39 120.250 107.290 12.960 1 1 468 . 2 1 1 A 60 60 THR H H 40 7.510 8.478 -0.968 1 1 469 . 2 1 1 A 60 60 THR HA H 40 4.250 5.234 -0.984 1 1 474 . 2 1 1 A 60 60 THR C C 40 174.900 174.094 0.806 1 1 475 . 2 1 1 A 60 60 THR CA C 40 62.320 56.068 6.252 1 1 476 . 2 1 1 A 60 60 THR CB C 40 70.110 42.189 27.921 1 1 478 . 2 1 1 A 60 60 THR N N 40 112.820 120.675 -7.855 1 1 479 . 2 1 1 A 61 61 GLU H H 41 8.510 8.713 -0.203 1 1 480 . 2 1 1 A 61 61 GLU HA H 41 4.100 5.434 -1.334 1 1 485 . 2 1 1 A 61 61 GLU C C 41 176.720 175.533 1.187 1 1 486 . 2 1 1 A 61 61 GLU CA C 41 57.840 56.281 1.559 1 1 487 . 2 1 1 A 61 61 GLU CB C 41 29.840 31.541 -1.701 1 1 489 . 2 1 1 A 61 61 GLU N N 41 123.410 127.558 -4.148 1 1 490 . 2 1 1 A 62 62 ASN H H 42 8.600 8.851 -0.251 1 1 491 . 2 1 1 A 62 62 ASN HA H 42 4.580 5.052 -0.472 1 1 496 . 2 1 1 A 62 62 ASN C C 42 174.940 172.650 2.290 1 1 497 . 2 1 1 A 62 62 ASN CA C 42 53.760 59.946 -6.186 1 1 498 . 2 1 1 A 62 62 ASN CB C 42 38.130 71.998 -33.868 1 1 499 . 2 1 1 A 62 62 ASN N N 42 117.760 115.159 2.601 1 1 501 . 2 1 1 A 63 63 SER H H 43 7.800 8.686 -0.886 1 1 502 . 2 1 1 A 63 63 SER HA H 43 4.400 4.765 -0.365 1 1 505 . 2 1 1 A 63 63 SER C C 43 177.320 175.269 2.051 1 1 506 . 2 1 1 A 63 63 SER CA C 43 58.730 61.768 -3.038 1 1 507 . 2 1 1 A 63 63 SER CB C 43 64.210 31.915 32.295 1 1 508 . 2 1 1 A 63 63 SER N N 43 114.610 126.959 -12.349 1 1 509 . 2 1 1 A 64 64 ILE H H 44 8.710 8.767 -0.057 1 1 510 . 2 1 1 A 64 64 ILE HA H 44 4.180 4.538 -0.358 1 1 520 . 2 1 1 A 64 64 ILE C C 44 176.550 175.972 0.578 1 1 521 . 2 1 1 A 64 64 ILE CA C 44 63.280 60.228 3.052 1 1 522 . 2 1 1 A 64 64 ILE CB C 44 38.110 40.561 -2.451 1 1 526 . 2 1 1 A 64 64 ILE N N 44 125.240 127.440 -2.200 1 1 527 . 2 1 1 A 65 65 LEU H H 45 8.160 9.503 -1.343 1 1 528 . 2 1 1 A 65 65 LEU HA H 45 4.450 4.307 0.143 1 1 538 . 2 1 1 A 65 65 LEU C C 45 177.800 175.524 2.276 1 1 539 . 2 1 1 A 65 65 LEU CA C 45 54.820 55.142 -0.322 1 1 540 . 2 1 1 A 65 65 LEU CB C 45 41.790 39.785 2.005 1 1 544 . 2 1 1 A 65 65 LEU N N 45 118.980 128.072 -9.092 1 1 545 . 2 1 1 A 66 66 ALA H H 46 7.700 8.740 -1.040 1 1 550 . 2 1 1 A 66 66 ALA C C 46 179.870 173.775 6.095 1 1 551 . 2 1 1 A 66 66 ALA CA C 46 54.980 45.504 9.476 1 1 553 . 2 1 1 A 66 66 ALA N N 46 122.830 103.609 19.221 1 1 554 . 2 1 1 A 67 67 GLN H H 47 7.920 7.765 0.155 1 1 555 . 2 1 1 A 67 67 GLN HA H 47 4.110 4.667 -0.557 1 1 562 . 2 1 1 A 67 67 GLN C C 47 175.990 174.898 1.092 1 1 563 . 2 1 1 A 67 67 GLN CA C 47 57.170 53.902 3.268 1 1 564 . 2 1 1 A 67 67 GLN CB C 47 28.180 35.175 -6.995 1 1 566 . 2 1 1 A 67 67 GLN N N 47 115.030 119.862 -4.832 1 1 568 . 2 1 1 A 68 68 PHE H H 48 7.790 8.006 -0.216 1 1 569 . 2 1 1 A 68 68 PHE HA H 48 4.690 4.643 0.047 1 1 576 . 2 1 1 A 68 68 PHE C C 48 175.620 174.419 1.201 1 1 577 . 2 1 1 A 68 68 PHE CA C 48 57.220 60.730 -3.510 1 1 578 . 2 1 1 A 68 68 PHE CB C 48 39.320 32.536 6.784 1 1 581 . 2 1 1 A 68 68 PHE N N 48 118.560 120.828 -2.268 1 1 582 . 2 1 1 A 69 69 ALA H H 49 7.600 8.894 -1.294 1 1 583 . 2 1 1 A 69 69 ALA HA H 49 4.120 5.604 -1.484 1 1 587 . 2 1 1 A 69 69 ALA C C 49 178.250 174.256 3.994 1 1 588 . 2 1 1 A 69 69 ALA CA C 49 53.920 55.812 -1.892 1 1 589 . 2 1 1 A 69 69 ALA CB C 49 18.660 41.441 -22.781 1 1 590 . 2 1 1 A 69 69 ALA N N 49 123.340 126.070 -2.730 1 1 591 . 2 1 1 A 70 70 GLY H H 50 8.500 8.548 -0.048 1 1 594 . 2 1 1 A 70 70 GLY C C 50 174.070 176.741 -2.671 1 1 595 . 2 1 1 A 70 70 GLY CA C 50 45.390 52.986 -7.596 1 1 596 . 2 1 1 A 70 70 GLY N N 50 108.770 123.532 -14.762 1 1 597 . 2 1 1 A 71 71 GLU H H 51 7.800 8.860 -1.060 1 1 598 . 2 1 1 A 71 71 GLU HA H 51 4.430 3.816 0.614 1 1 603 . 2 1 1 A 71 71 GLU C C 51 176.220 178.100 -1.880 1 1 604 . 2 1 1 A 71 71 GLU CA C 51 55.430 65.648 -10.218 1 1 605 . 2 1 1 A 71 71 GLU CB C 51 30.980 37.697 -6.717 1 1 607 . 2 1 1 A 71 71 GLU N N 51 119.390 126.702 -7.312 1 1 608 . 2 1 1 A 72 72 ASP H H 52 8.830 8.233 0.597 1 1 609 . 2 1 1 A 72 72 ASP HA H 52 4.850 4.054 0.796 1 1 612 . 2 1 1 A 72 72 ASP CA C 52 52.110 60.137 -8.027 1 1 613 . 2 1 1 A 72 72 ASP CB C 52 42.070 32.434 9.636 1 1 614 . 2 1 1 A 72 72 ASP N N 52 123.830 121.230 2.600 1 1 615 . 2 1 1 A 73 73 PRO HA H 53 4.410 4.519 -0.109 1 1 622 . 2 1 1 A 73 73 PRO C C 53 177.290 178.574 -1.284 1 1 623 . 2 1 1 A 73 73 PRO CA C 53 64.940 57.259 7.681 1 1 624 . 2 1 1 A 73 73 PRO CB C 53 32.130 40.714 -8.584 1 1 627 . 2 1 1 A 74 74 VAL H H 54 7.950 8.183 -0.233 1 1 628 . 2 1 1 A 74 74 VAL HA H 54 3.360 3.584 -0.224 1 1 636 . 2 1 1 A 74 74 VAL C C 54 177.540 177.573 -0.033 1 1 637 . 2 1 1 A 74 74 VAL CA C 54 66.820 61.834 4.986 1 1 638 . 2 1 1 A 74 74 VAL CB C 54 31.310 38.999 -7.689 1 1 641 . 2 1 1 A 74 74 VAL N N 54 118.670 120.316 -1.646 1 1 642 . 2 1 1 A 75 75 VAL H H 55 7.090 8.392 -1.302 1 1 643 . 2 1 1 A 75 75 VAL HA H 55 3.620 4.029 -0.409 1 1 651 . 2 1 1 A 75 75 VAL C C 55 175.050 177.906 -2.856 1 1 652 . 2 1 1 A 75 75 VAL CA C 55 65.440 58.518 6.922 1 1 653 . 2 1 1 A 75 75 VAL CB C 55 32.210 27.678 4.532 1 1 656 . 2 1 1 A 75 75 VAL N N 55 120.340 117.692 2.648 1 1 657 . 2 1 1 A 76 76 ALA H H 56 8.050 7.450 0.600 1 1 658 . 2 1 1 A 76 76 ALA HA H 56 3.870 3.872 -0.002 1 1 662 . 2 1 1 A 76 76 ALA C C 56 178.160 177.144 1.016 1 1 663 . 2 1 1 A 76 76 ALA CA C 56 54.840 66.854 -12.014 1 1 664 . 2 1 1 A 76 76 ALA CB C 56 19.250 68.281 -49.031 1 1 665 . 2 1 1 A 76 76 ALA N N 56 121.910 119.544 2.366 1 1 666 . 2 1 1 A 77 77 LEU H H 57 7.720 7.820 -0.100 1 1 667 . 2 1 1 A 77 77 LEU HA H 57 3.170 4.205 -1.035 1 1 677 . 2 1 1 A 77 77 LEU C C 57 178.010 177.884 0.126 1 1 678 . 2 1 1 A 77 77 LEU CA C 57 58.260 58.316 -0.056 1 1 679 . 2 1 1 A 77 77 LEU CB C 57 39.970 27.780 12.190 1 1 683 . 2 1 1 A 77 77 LEU N N 57 120.030 120.255 -0.225 1 1 684 . 2 1 1 A 78 78 GLU H H 58 7.840 7.563 0.277 1 1 685 . 2 1 1 A 78 78 GLU HA H 58 3.510 4.283 -0.773 1 1 690 . 2 1 1 A 78 78 GLU C C 58 179.140 176.165 2.975 1 1 691 . 2 1 1 A 78 78 GLU CA C 58 60.290 60.005 0.285 1 1 692 . 2 1 1 A 78 78 GLU CB C 58 29.420 62.556 -33.136 1 1 694 . 2 1 1 A 78 78 GLU N N 58 116.990 115.496 1.494 1 1 695 . 2 1 1 A 79 79 ALA H H 59 7.710 7.873 -0.163 1 1 696 . 2 1 1 A 79 79 ALA HA H 59 3.940 4.108 -0.168 1 1 700 . 2 1 1 A 79 79 ALA C C 59 180.360 177.183 3.177 1 1 701 . 2 1 1 A 79 79 ALA CA C 59 54.790 57.931 -3.141 1 1 702 . 2 1 1 A 79 79 ALA CB C 59 17.930 41.940 -24.010 1 1 703 . 2 1 1 A 79 79 ALA N N 59 120.690 121.787 -1.097 1 1 704 . 2 1 1 A 80 80 ALA H H 60 8.220 7.408 0.812 1 1 705 . 2 1 1 A 80 80 ALA HA H 60 3.970 4.345 -0.375 1 1 709 . 2 1 1 A 80 80 ALA C C 60 180.570 175.093 5.477 1 1 710 . 2 1 1 A 80 80 ALA CA C 60 54.160 64.161 -10.001 1 1 711 . 2 1 1 A 80 80 ALA CB C 60 18.830 69.186 -50.356 1 1 712 . 2 1 1 A 80 80 ALA N N 60 122.230 112.898 9.332 1 1 713 . 2 1 1 A 81 81 LEU H H 61 7.800 8.741 -0.941 1 1 714 . 2 1 1 A 81 81 LEU HA H 61 3.890 4.109 -0.219 1 1 724 . 2 1 1 A 81 81 LEU C C 61 177.590 177.340 0.250 1 1 725 . 2 1 1 A 81 81 LEU CA C 61 56.650 59.507 -2.857 1 1 726 . 2 1 1 A 81 81 LEU CB C 61 42.630 29.685 12.945 1 1 730 . 2 1 1 A 81 81 LEU N N 61 116.150 125.958 -9.808 1 1 731 . 2 1 1 A 82 82 GLN H H 62 7.450 7.777 -0.327 1 1 732 . 2 1 1 A 82 82 GLN HA H 62 4.250 4.879 -0.629 1 1 739 . 2 1 1 A 82 82 GLN C C 62 176.120 173.698 2.422 1 1 740 . 2 1 1 A 82 82 GLN CA C 62 55.880 52.672 3.208 1 1 741 . 2 1 1 A 82 82 GLN CB C 62 29.330 36.608 -7.278 1 1 743 . 2 1 1 A 82 82 GLN N N 62 115.740 116.042 -0.302 1 1 745 . 2 1 1 A 83 83 PHE H H 63 7.300 7.570 -0.270 1 1 746 . 2 1 1 A 83 83 PHE HA H 63 4.900 5.002 -0.102 1 1 753 . 2 1 1 A 83 83 PHE C C 63 176.470 175.018 1.452 1 1 754 . 2 1 1 A 83 83 PHE CA C 63 56.260 56.287 -0.027 1 1 755 . 2 1 1 A 83 83 PHE CB C 63 39.000 65.344 -26.344 1 1 758 . 2 1 1 A 83 83 PHE N N 63 120.420 117.519 2.901 1 1 759 . 2 1 1 A 84 84 GLU H H 64 9.090 8.640 0.450 1 1 760 . 2 1 1 A 84 84 GLU HA H 64 3.850 4.041 -0.191 1 1 765 . 2 1 1 A 84 84 GLU C C 64 178.010 176.325 1.685 1 1 766 . 2 1 1 A 84 84 GLU CA C 64 59.910 63.425 -3.515 1 1 767 . 2 1 1 A 84 84 GLU CB C 64 29.640 37.987 -8.347 1 1 769 . 2 1 1 A 84 84 GLU N N 64 126.260 123.484 2.776 1 1 770 . 2 1 1 A 85 85 ASP H H 65 7.670 7.656 0.014 1 1 771 . 2 1 1 A 85 85 ASP HA H 65 4.480 4.596 -0.116 1 1 774 . 2 1 1 A 85 85 ASP C C 65 177.530 178.493 -0.963 1 1 775 . 2 1 1 A 85 85 ASP CA C 65 56.290 55.788 0.502 1 1 776 . 2 1 1 A 85 85 ASP CB C 65 40.480 41.816 -1.336 1 1 777 . 2 1 1 A 85 85 ASP N N 65 114.070 121.292 -7.222 1 1 778 . 2 1 1 A 86 86 THR H H 66 7.560 7.912 -0.352 1 1 779 . 2 1 1 A 86 86 THR HA H 66 4.530 4.053 0.477 1 1 784 . 2 1 1 A 86 86 THR C C 66 176.820 179.804 -2.984 1 1 785 . 2 1 1 A 86 86 THR CA C 66 62.380 54.884 7.496 1 1 786 . 2 1 1 A 86 86 THR CB C 66 70.200 18.117 52.083 1 1 788 . 2 1 1 A 86 86 THR N N 66 106.640 122.069 -15.429 1 1 789 . 2 1 1 A 87 87 ARG H H 67 8.100 8.470 -0.370 1 1 790 . 2 1 1 A 87 87 ARG HA H 67 4.020 4.091 -0.071 1 1 797 . 2 1 1 A 87 87 ARG C C 67 178.760 176.037 2.723 1 1 798 . 2 1 1 A 87 87 ARG CA C 67 61.140 57.302 3.838 1 1 799 . 2 1 1 A 87 87 ARG CB C 67 30.220 26.951 3.269 1 1 802 . 2 1 1 A 87 87 ARG N N 67 124.220 115.408 8.812 1 1 803 . 2 1 1 A 88 88 GLU H H 68 8.790 7.716 1.074 1 1 804 . 2 1 1 A 88 88 GLU HA H 68 4.090 4.830 -0.740 1 1 809 . 2 1 1 A 88 88 GLU C C 68 179.320 176.392 2.928 1 1 810 . 2 1 1 A 88 88 GLU CA C 68 59.150 57.381 1.769 1 1 811 . 2 1 1 A 88 88 GLU CB C 68 28.930 39.235 -10.305 1 1 813 . 2 1 1 A 88 88 GLU N N 68 118.790 118.355 0.435 1 1 814 . 2 1 1 A 89 89 SER H H 69 8.140 8.016 0.124 1 1 815 . 2 1 1 A 89 89 SER HA H 69 4.390 4.119 0.271 1 1 818 . 2 1 1 A 89 89 SER C C 69 176.100 179.210 -3.110 1 1 819 . 2 1 1 A 89 89 SER CA C 69 61.000 54.915 6.085 1 1 820 . 2 1 1 A 89 89 SER CB C 69 63.190 18.398 44.792 1 1 821 . 2 1 1 A 89 89 SER N N 69 115.570 123.323 -7.753 1 1 822 . 2 1 1 A 90 90 MET H H 70 7.690 8.158 -0.468 1 1 831 . 2 1 1 A 90 90 MET C C 70 177.990 173.505 4.485 1 1 832 . 2 1 1 A 90 90 MET CA C 70 55.140 45.426 9.714 1 1 836 . 2 1 1 A 90 90 MET N N 70 118.160 105.734 12.426 1 1 837 . 2 1 1 A 91 91 HIS H H 71 7.740 7.485 0.255 1 1 838 . 2 1 1 A 91 91 HIS HA H 71 4.430 5.076 -0.646 1 1 842 . 2 1 1 A 91 91 HIS C C 71 177.460 174.498 2.962 1 1 843 . 2 1 1 A 91 91 HIS CA C 71 58.830 54.366 4.464 1 1 844 . 2 1 1 A 91 91 HIS CB C 71 29.680 33.354 -3.674 1 1 846 . 2 1 1 A 91 91 HIS N N 71 118.990 120.965 -1.975 1 1 847 . 2 1 1 A 92 92 ALA H H 72 7.230 8.687 -1.457 1 1 848 . 2 1 1 A 92 92 ALA HA H 72 3.900 4.690 -0.790 1 1 852 . 2 1 1 A 92 92 ALA C C 72 177.850 176.647 1.203 1 1 853 . 2 1 1 A 92 92 ALA CA C 72 53.840 52.106 1.734 1 1 854 . 2 1 1 A 92 92 ALA CB C 72 18.250 41.822 -23.572 1 1 855 . 2 1 1 A 92 92 ALA N N 72 120.170 126.180 -6.010 1 1 857 . 2 1 1 A 93 93 PHE HA H 73 4.970 4.436 0.534 1 1 865 . 2 1 1 A 93 93 PHE C C 73 174.000 178.819 -4.819 1 1 866 . 2 1 1 A 93 93 PHE CA C 73 56.420 65.298 -8.878 1 1 867 . 2 1 1 A 93 93 PHE CB C 73 39.050 31.812 7.238 1 1 871 . 2 1 1 A 93 93 PHE N N 73 113.910 141.559 -27.649 1 1 872 . 2 1 1 A 94 94 CYS H H 74 7.690 6.739 0.951 1 1 873 . 2 1 1 A 94 94 CYS HA H 74 4.120 3.529 0.591 1 1 876 . 2 1 1 A 94 94 CYS C C 74 174.900 177.845 -2.945 1 1 877 . 2 1 1 A 94 94 CYS CA C 74 58.200 65.204 -7.004 1 1 878 . 2 1 1 A 94 94 CYS CB C 74 27.320 31.573 -4.253 1 1 879 . 2 1 1 A 94 94 CYS N N 74 121.190 116.311 4.879 1 1 880 . 2 1 1 A 95 95 VAL H H 75 8.770 7.797 0.973 1 1 881 . 2 1 1 A 95 95 VAL HA H 75 3.820 3.658 0.162 1 1 889 . 2 1 1 A 95 95 VAL C C 75 175.640 177.898 -2.258 1 1 890 . 2 1 1 A 95 95 VAL CA C 75 62.250 66.296 -4.046 1 1 891 . 2 1 1 A 95 95 VAL CB C 75 32.280 31.314 0.966 1 1 894 . 2 1 1 A 95 95 VAL N N 75 128.310 120.009 8.301 1 1 895 . 2 1 1 A 96 96 GLY H H 76 7.130 7.959 -0.829 1 1 898 . 2 1 1 A 96 96 GLY C C 76 171.220 179.419 -8.199 1 1 899 . 2 1 1 A 96 96 GLY CA C 76 44.940 55.126 -10.186 1 1 900 . 2 1 1 A 96 96 GLY N N 76 105.330 121.485 -16.155 1 1 901 . 2 1 1 A 97 97 GLN H H 77 8.590 7.353 1.237 1 1 902 . 2 1 1 A 97 97 GLN HA H 77 4.460 3.630 0.830 1 1 909 . 2 1 1 A 97 97 GLN C C 77 174.070 178.485 -4.415 1 1 910 . 2 1 1 A 97 97 GLN CA C 77 54.860 57.066 -2.206 1 1 911 . 2 1 1 A 97 97 GLN CB C 77 30.820 41.022 -10.202 1 1 913 . 2 1 1 A 97 97 GLN N N 77 120.500 119.649 0.851 1 1 915 . 2 1 1 A 98 98 TYR H H 78 8.440 8.167 0.273 1 1 916 . 2 1 1 A 98 98 TYR HA H 78 4.960 3.855 1.105 1 1 923 . 2 1 1 A 98 98 TYR C C 78 174.460 178.934 -4.474 1 1 924 . 2 1 1 A 98 98 TYR CA C 78 56.660 58.957 -2.297 1 1 925 . 2 1 1 A 98 98 TYR CB C 78 40.450 29.337 11.113 1 1 928 . 2 1 1 A 98 98 TYR N N 78 125.460 118.449 7.011 1 1 929 . 2 1 1 A 99 99 LEU H H 79 8.100 7.769 0.331 1 1 930 . 2 1 1 A 99 99 LEU HA H 79 4.360 4.004 0.356 1 1 940 . 2 1 1 A 99 99 LEU C C 79 173.790 180.495 -6.705 1 1 941 . 2 1 1 A 99 99 LEU CA C 79 53.110 54.658 -1.548 1 1 942 . 2 1 1 A 99 99 LEU CB C 79 43.200 18.304 24.896 1 1 946 . 2 1 1 A 99 99 LEU N N 79 131.670 122.439 9.231 1 1 947 . 2 1 1 A 100 100 GLU H H 80 8.160 7.321 0.839 1 1 948 . 2 1 1 A 100 100 GLU HA H 80 4.140 4.426 -0.286 1 1 953 . 2 1 1 A 100 100 GLU CA C 80 54.540 54.649 -0.109 1 1 954 . 2 1 1 A 100 100 GLU CB C 80 29.270 18.417 10.853 1 1 956 . 2 1 1 A 100 100 GLU N N 80 125.120 120.562 4.558 1 1 957 . 2 1 1 A 101 101 PRO HA H 81 4.380 3.983 0.397 1 1 964 . 2 1 1 A 101 101 PRO C C 81 177.370 179.419 -2.049 1 1 965 . 2 1 1 A 101 101 PRO CA C 81 64.050 57.681 6.369 1 1 966 . 2 1 1 A 101 101 PRO CB C 81 32.130 41.314 -9.184 1 1 969 . 2 1 1 A 102 102 ASP H H 82 8.430 7.552 0.878 1 1 970 . 2 1 1 A 102 102 ASP HA H 82 4.550 4.328 0.222 1 1 973 . 2 1 1 A 102 102 ASP C C 82 176.950 176.368 0.582 1 1 974 . 2 1 1 A 102 102 ASP CA C 82 54.680 58.209 -3.529 1 1 975 . 2 1 1 A 102 102 ASP CB C 82 40.630 29.636 10.994 1 1 976 . 2 1 1 A 102 102 ASP N N 82 118.470 116.366 2.104 1 1 977 . 2 1 1 A 103 103 GLN H H 83 8.230 7.766 0.464 1 1 978 . 2 1 1 A 103 103 GLN HA H 83 4.340 4.886 -0.546 1 1 985 . 2 1 1 A 103 103 GLN C C 83 176.210 176.387 -0.177 1 1 986 . 2 1 1 A 103 103 GLN CA C 83 55.640 57.078 -1.438 1 1 987 . 2 1 1 A 103 103 GLN CB C 83 29.630 39.395 -9.765 1 1 989 . 2 1 1 A 103 103 GLN N N 83 119.650 121.047 -1.397 1 1 991 . 2 1 1 A 104 104 GLU H H 84 8.250 8.710 -0.460 1 1 992 . 2 1 1 A 104 104 GLU HA H 84 4.220 4.035 0.185 1 1 997 . 2 1 1 A 104 104 GLU C C 84 177.100 177.706 -0.606 1 1 998 . 2 1 1 A 104 104 GLU CA C 84 57.220 58.759 -1.539 1 1 999 . 2 1 1 A 104 104 GLU CB C 84 30.320 29.031 1.289 1 1 1001 . 2 1 1 A 104 104 GLU N N 84 121.670 126.510 -4.840 1 1 1002 . 2 1 1 A 105 105 GLY H H 85 8.450 7.145 1.305 1 1 1005 . 2 1 1 A 105 105 GLY C C 85 174.000 177.576 -3.576 1 1 1006 . 2 1 1 A 105 105 GLY CA C 85 45.410 55.934 -10.524 1 1 1007 . 2 1 1 A 105 105 GLY N N 85 109.870 119.280 -9.410 1 1 1008 . 2 1 1 A 106 106 VAL H H 86 7.900 7.132 0.768 1 1 1009 . 2 1 1 A 106 106 VAL HA H 86 4.190 4.562 -0.372 1 1 1017 . 2 1 1 A 106 106 VAL C C 86 176.300 176.169 0.131 1 1 1018 . 2 1 1 A 106 106 VAL CA C 86 62.190 62.660 -0.470 1 1 1019 . 2 1 1 A 106 106 VAL CB C 86 32.860 70.204 -37.344 1 1 1022 . 2 1 1 A 106 106 VAL N N 86 119.330 108.775 10.555 1 1 1023 . 2 1 1 A 107 107 THR H H 87 8.320 8.140 0.180 1 1 1024 . 2 1 1 A 107 107 THR HA H 87 4.350 4.231 0.119 1 1 1029 . 2 1 1 A 107 107 THR C C 87 174.050 178.213 -4.163 1 1 1030 . 2 1 1 A 107 107 THR CA C 87 61.870 57.695 4.175 1 1 1031 . 2 1 1 A 107 107 THR CB C 87 69.910 28.902 41.008 1 1 1033 . 2 1 1 A 107 107 THR N N 87 119.480 122.377 -2.897 1 1 1034 . 2 1 1 A 108 108 ILE H H 88 8.360 8.594 -0.234 1 1 1035 . 2 1 1 A 108 108 ILE HA H 88 4.470 4.108 0.362 1 1 1045 . 2 1 1 A 108 108 ILE CA C 88 58.410 59.316 -0.906 1 1 1046 . 2 1 1 A 108 108 ILE CB C 88 38.530 29.314 9.216 1 1 1050 . 2 1 1 A 108 108 ILE N N 88 126.140 120.736 5.404 1 1 1051 . 2 1 1 A 109 109 PRO HA H 89 4.380 4.209 0.171 1 1 1058 . 2 1 1 A 109 109 PRO C C 89 176.290 176.509 -0.219 1 1 1059 . 2 1 1 A 109 109 PRO CA C 89 63.210 60.991 2.219 1 1 1060 . 2 1 1 A 109 109 PRO CB C 89 32.220 63.169 -30.949 1 1 1063 . 2 1 1 A 110 110 ASP H H 90 8.370 8.276 0.094 1 1 1064 . 2 1 1 A 110 110 ASP HA H 90 4.580 4.832 -0.252 1 1 1067 . 2 1 1 A 110 110 ASP C C 90 176.200 179.043 -2.843 1 1 1068 . 2 1 1 A 110 110 ASP CA C 90 54.290 57.764 -3.474 1 1 1069 . 2 1 1 A 110 110 ASP CB C 90 41.120 31.504 9.616 1 1 1070 . 2 1 1 A 110 110 ASP N N 90 120.470 119.505 0.965 1 1 1071 . 2 1 1 A 111 111 LEU H H 91 8.250 7.911 0.339 1 1 1072 . 2 1 1 A 111 111 LEU HA H 91 4.370 4.446 -0.076 1 1 1081 . 2 1 1 A 111 111 LEU C C 91 177.040 178.265 -1.225 1 1 1082 . 2 1 1 A 111 111 LEU CA C 91 55.060 59.782 -4.722 1 1 1083 . 2 1 1 A 111 111 LEU CB C 91 42.290 29.493 12.797 1 1 1086 . 2 1 1 A 111 111 LEU N N 91 123.570 117.412 6.158 1 1 1087 . 2 1 1 A 112 112 GLY H H 92 8.080 8.004 0.076 1 1 1090 . 2 1 1 A 112 112 GLY CA C 92 46.190 54.853 -8.663 1 1 246 . 3 1 1 A 42 42 THR H H 22 8.820 7.993 0.827 1 1 247 . 3 1 1 A 42 42 THR HA H 22 4.800 4.467 0.333 1 1 252 . 3 1 1 A 42 42 THR C C 22 170.950 175.658 -4.708 1 1 253 . 3 1 1 A 42 42 THR CA C 22 60.870 55.295 5.575 1 1 254 . 3 1 1 A 42 42 THR CB C 22 71.510 31.661 39.849 1 1 256 . 3 1 1 A 42 42 THR N N 22 116.000 119.710 -3.710 1 1 257 . 3 1 1 A 43 43 VAL H H 23 8.140 8.634 -0.494 1 1 258 . 3 1 1 A 43 43 VAL HA H 23 4.830 4.232 0.598 1 1 266 . 3 1 1 A 43 43 VAL C C 23 176.470 175.054 1.416 1 1 267 . 3 1 1 A 43 43 VAL CA C 23 61.540 62.722 -1.182 1 1 268 . 3 1 1 A 43 43 VAL CB C 23 32.270 32.088 0.182 1 1 271 . 3 1 1 A 43 43 VAL N N 23 125.850 126.301 -0.451 1 1 272 . 3 1 1 A 44 44 ILE H H 24 9.350 8.774 0.576 1 1 273 . 3 1 1 A 44 44 ILE HA H 24 4.220 4.323 -0.103 1 1 283 . 3 1 1 A 44 44 ILE C C 24 176.050 174.166 1.884 1 1 284 . 3 1 1 A 44 44 ILE CA C 24 60.880 63.156 -2.276 1 1 285 . 3 1 1 A 44 44 ILE CB C 24 40.830 68.838 -28.008 1 1 289 . 3 1 1 A 44 44 ILE N N 24 128.460 125.486 2.974 1 1 290 . 3 1 1 A 45 45 ASP H H 25 9.450 8.974 0.476 1 1 291 . 3 1 1 A 45 45 ASP HA H 25 4.320 5.004 -0.684 1 1 294 . 3 1 1 A 45 45 ASP C C 25 176.060 175.925 0.135 1 1 295 . 3 1 1 A 45 45 ASP CA C 25 55.170 53.897 1.273 1 1 296 . 3 1 1 A 45 45 ASP CB C 25 39.870 40.941 -1.071 1 1 297 . 3 1 1 A 45 45 ASP N N 25 129.730 128.889 0.841 1 1 298 . 3 1 1 A 46 46 GLY H H 26 8.360 8.990 -0.630 1 1 301 . 3 1 1 A 46 46 GLY C C 26 173.150 175.712 -2.562 1 1 302 . 3 1 1 A 46 46 GLY CA C 26 46.190 61.581 -15.391 1 1 303 . 3 1 1 A 46 46 GLY N N 26 102.380 125.602 -23.222 1 1 304 . 3 1 1 A 47 47 LYS H H 27 8.000 9.023 -1.023 1 1 305 . 3 1 1 A 47 47 LYS HA H 27 4.780 4.507 0.273 1 1 314 . 3 1 1 A 47 47 LYS C C 27 177.050 178.120 -1.070 1 1 315 . 3 1 1 A 47 47 LYS CA C 27 54.870 54.398 0.472 1 1 316 . 3 1 1 A 47 47 LYS CB C 27 36.020 32.232 3.788 1 1 320 . 3 1 1 A 47 47 LYS N N 27 121.330 125.915 -4.585 1 1 321 . 3 1 1 A 48 48 VAL H H 28 8.160 8.871 -0.711 1 1 322 . 3 1 1 A 48 48 VAL HA H 28 4.450 4.156 0.294 1 1 330 . 3 1 1 A 48 48 VAL C C 28 174.640 177.928 -3.288 1 1 331 . 3 1 1 A 48 48 VAL CA C 28 60.800 64.172 -3.372 1 1 332 . 3 1 1 A 48 48 VAL CB C 28 32.310 37.694 -5.384 1 1 335 . 3 1 1 A 48 48 VAL N N 28 119.880 124.454 -4.574 1 1 336 . 3 1 1 A 49 49 TYR H H 29 9.130 8.388 0.742 1 1 337 . 3 1 1 A 49 49 TYR HA H 29 5.200 4.037 1.163 1 1 344 . 3 1 1 A 49 49 TYR C C 29 174.540 179.732 -5.192 1 1 345 . 3 1 1 A 49 49 TYR CA C 29 56.640 55.387 1.253 1 1 346 . 3 1 1 A 49 49 TYR CB C 29 43.420 17.926 25.494 1 1 349 . 3 1 1 A 49 49 TYR N N 29 124.890 123.219 1.671 1 1 350 . 3 1 1 A 50 50 ASP H H 30 9.000 8.135 0.865 1 1 351 . 3 1 1 A 50 50 ASP HA H 30 5.330 4.352 0.978 1 1 354 . 3 1 1 A 50 50 ASP C C 30 176.020 178.709 -2.689 1 1 355 . 3 1 1 A 50 50 ASP CA C 30 53.180 57.309 -4.129 1 1 356 . 3 1 1 A 50 50 ASP CB C 30 40.910 41.129 -0.219 1 1 357 . 3 1 1 A 50 50 ASP N N 30 119.790 118.399 1.391 1 1 358 . 3 1 1 A 51 51 ILE H H 31 8.700 7.994 0.706 1 1 359 . 3 1 1 A 51 51 ILE HA H 31 3.710 3.951 -0.241 1 1 369 . 3 1 1 A 51 51 ILE C C 31 178.070 179.543 -1.473 1 1 370 . 3 1 1 A 51 51 ILE CA C 31 60.750 58.063 2.687 1 1 371 . 3 1 1 A 51 51 ILE CB C 31 35.230 41.647 -6.417 1 1 375 . 3 1 1 A 51 51 ILE N N 31 125.270 119.708 5.562 1 1 376 . 3 1 1 A 52 52 LYS H H 32 8.030 7.802 0.228 1 1 377 . 3 1 1 A 52 52 LYS HA H 32 4.340 3.934 0.406 1 1 386 . 3 1 1 A 52 52 LYS C C 32 179.540 179.398 0.142 1 1 387 . 3 1 1 A 52 52 LYS CA C 32 59.380 59.857 -0.477 1 1 388 . 3 1 1 A 52 52 LYS CB C 32 31.930 29.360 2.570 1 1 392 . 3 1 1 A 52 52 LYS N N 32 120.520 118.521 1.999 1 1 393 . 3 1 1 A 53 53 ASP H H 33 7.810 7.848 -0.038 1 1 394 . 3 1 1 A 53 53 ASP HA H 33 4.620 4.316 0.304 1 1 397 . 3 1 1 A 53 53 ASP C C 33 177.670 178.082 -0.412 1 1 398 . 3 1 1 A 53 53 ASP CA C 33 56.840 56.150 0.690 1 1 399 . 3 1 1 A 53 53 ASP CB C 33 41.220 38.206 3.014 1 1 400 . 3 1 1 A 53 53 ASP N N 33 120.590 117.659 2.931 1 1 401 . 3 1 1 A 54 54 PHE H H 34 7.660 7.636 0.024 1 1 402 . 3 1 1 A 54 54 PHE HA H 34 3.100 4.089 -0.989 1 1 410 . 3 1 1 A 54 54 PHE C C 34 176.960 177.750 -0.790 1 1 411 . 3 1 1 A 54 54 PHE CA C 34 60.670 59.296 1.374 1 1 412 . 3 1 1 A 54 54 PHE CB C 34 38.870 29.138 9.732 1 1 416 . 3 1 1 A 54 54 PHE N N 34 120.480 118.236 2.244 1 1 417 . 3 1 1 A 55 55 GLN H H 35 8.860 8.116 0.744 1 1 418 . 3 1 1 A 55 55 GLN HA H 35 3.660 4.403 -0.743 1 1 425 . 3 1 1 A 55 55 GLN C C 35 178.510 177.570 0.940 1 1 426 . 3 1 1 A 55 55 GLN CA C 35 58.980 56.938 2.042 1 1 427 . 3 1 1 A 55 55 GLN CB C 35 29.450 39.853 -10.403 1 1 429 . 3 1 1 A 55 55 GLN N N 35 119.060 118.561 0.499 1 1 431 . 3 1 1 A 56 56 THR H H 36 8.150 7.847 0.303 1 1 432 . 3 1 1 A 56 56 THR HA H 36 3.930 4.591 -0.661 1 1 437 . 3 1 1 A 56 56 THR C C 36 176.550 176.065 0.485 1 1 438 . 3 1 1 A 56 56 THR CA C 36 66.070 55.310 10.760 1 1 439 . 3 1 1 A 56 56 THR CB C 36 69.030 38.336 30.694 1 1 441 . 3 1 1 A 56 56 THR N N 36 115.130 116.310 -1.180 1 1 442 . 3 1 1 A 57 57 GLN H H 37 8.230 7.600 0.630 1 1 443 . 3 1 1 A 57 57 GLN HA H 37 4.210 4.633 -0.423 1 1 450 . 3 1 1 A 57 57 GLN CA C 37 58.050 54.163 3.887 1 1 451 . 3 1 1 A 57 57 GLN CB C 37 28.290 41.288 -12.998 1 1 453 . 3 1 1 A 57 57 GLN N N 37 119.670 117.135 2.535 1 1 458 . 3 1 1 A 58 58 SER C C 38 174.020 175.147 -1.127 1 1 459 . 3 1 1 A 58 58 SER CA C 38 60.500 45.142 15.358 1 1 461 . 3 1 1 A 59 59 LEU H H 39 7.320 7.815 -0.495 1 1 465 . 3 1 1 A 59 59 LEU CA C 39 55.140 46.570 8.570 1 1 467 . 3 1 1 A 59 59 LEU N N 39 120.250 107.750 12.500 1 1 468 . 3 1 1 A 60 60 THR H H 40 7.510 8.758 -1.248 1 1 469 . 3 1 1 A 60 60 THR HA H 40 4.250 4.865 -0.615 1 1 474 . 3 1 1 A 60 60 THR C C 40 174.900 174.753 0.147 1 1 475 . 3 1 1 A 60 60 THR CA C 40 62.320 57.342 4.978 1 1 476 . 3 1 1 A 60 60 THR CB C 40 70.110 39.173 30.937 1 1 478 . 3 1 1 A 60 60 THR N N 40 112.820 126.314 -13.494 1 1 479 . 3 1 1 A 61 61 GLU H H 41 8.510 8.987 -0.477 1 1 480 . 3 1 1 A 61 61 GLU HA H 41 4.100 5.157 -1.057 1 1 485 . 3 1 1 A 61 61 GLU C C 41 176.720 175.541 1.179 1 1 486 . 3 1 1 A 61 61 GLU CA C 41 57.840 56.573 1.267 1 1 487 . 3 1 1 A 61 61 GLU CB C 41 29.840 32.539 -2.699 1 1 489 . 3 1 1 A 61 61 GLU N N 41 123.410 127.238 -3.828 1 1 490 . 3 1 1 A 62 62 ASN H H 42 8.600 8.750 -0.150 1 1 491 . 3 1 1 A 62 62 ASN HA H 42 4.580 4.734 -0.154 1 1 496 . 3 1 1 A 62 62 ASN C C 42 174.940 171.685 3.255 1 1 497 . 3 1 1 A 62 62 ASN CA C 42 53.760 60.249 -6.489 1 1 498 . 3 1 1 A 62 62 ASN CB C 42 38.130 70.735 -32.605 1 1 499 . 3 1 1 A 62 62 ASN N N 42 117.760 114.524 3.236 1 1 501 . 3 1 1 A 63 63 SER H H 43 7.800 8.861 -1.061 1 1 502 . 3 1 1 A 63 63 SER HA H 43 4.400 5.049 -0.649 1 1 505 . 3 1 1 A 63 63 SER C C 43 177.320 173.959 3.361 1 1 506 . 3 1 1 A 63 63 SER CA C 43 58.730 60.254 -1.524 1 1 507 . 3 1 1 A 63 63 SER CB C 43 64.210 33.557 30.653 1 1 508 . 3 1 1 A 63 63 SER N N 43 114.610 124.815 -10.205 1 1 509 . 3 1 1 A 64 64 ILE H H 44 8.710 8.805 -0.095 1 1 510 . 3 1 1 A 64 64 ILE HA H 44 4.180 4.527 -0.347 1 1 520 . 3 1 1 A 64 64 ILE C C 44 176.550 175.967 0.583 1 1 521 . 3 1 1 A 64 64 ILE CA C 44 63.280 60.444 2.836 1 1 522 . 3 1 1 A 64 64 ILE CB C 44 38.110 39.918 -1.808 1 1 526 . 3 1 1 A 64 64 ILE N N 44 125.240 130.587 -5.347 1 1 527 . 3 1 1 A 65 65 LEU H H 45 8.160 9.455 -1.295 1 1 528 . 3 1 1 A 65 65 LEU HA H 45 4.450 4.273 0.177 1 1 538 . 3 1 1 A 65 65 LEU C C 45 177.800 175.295 2.505 1 1 539 . 3 1 1 A 65 65 LEU CA C 45 54.820 55.097 -0.277 1 1 540 . 3 1 1 A 65 65 LEU CB C 45 41.790 40.001 1.789 1 1 544 . 3 1 1 A 65 65 LEU N N 45 118.980 128.093 -9.113 1 1 545 . 3 1 1 A 66 66 ALA H H 46 7.700 8.627 -0.927 1 1 550 . 3 1 1 A 66 66 ALA C C 46 179.870 173.765 6.105 1 1 551 . 3 1 1 A 66 66 ALA CA C 46 54.980 45.479 9.501 1 1 553 . 3 1 1 A 66 66 ALA N N 46 122.830 104.886 17.944 1 1 554 . 3 1 1 A 67 67 GLN H H 47 7.920 7.805 0.115 1 1 555 . 3 1 1 A 67 67 GLN HA H 47 4.110 4.735 -0.625 1 1 562 . 3 1 1 A 67 67 GLN C C 47 175.990 175.502 0.488 1 1 563 . 3 1 1 A 67 67 GLN CA C 47 57.170 54.114 3.056 1 1 564 . 3 1 1 A 67 67 GLN CB C 47 28.180 35.038 -6.858 1 1 566 . 3 1 1 A 67 67 GLN N N 47 115.030 119.914 -4.884 1 1 568 . 3 1 1 A 68 68 PHE H H 48 7.790 8.183 -0.393 1 1 569 . 3 1 1 A 68 68 PHE HA H 48 4.690 4.970 -0.280 1 1 576 . 3 1 1 A 68 68 PHE C C 48 175.620 174.254 1.366 1 1 577 . 3 1 1 A 68 68 PHE CA C 48 57.220 60.884 -3.664 1 1 578 . 3 1 1 A 68 68 PHE CB C 48 39.320 33.270 6.050 1 1 581 . 3 1 1 A 68 68 PHE N N 48 118.560 120.823 -2.263 1 1 582 . 3 1 1 A 69 69 ALA H H 49 7.600 9.156 -1.556 1 1 583 . 3 1 1 A 69 69 ALA HA H 49 4.120 5.171 -1.051 1 1 587 . 3 1 1 A 69 69 ALA C C 49 178.250 174.568 3.682 1 1 588 . 3 1 1 A 69 69 ALA CA C 49 53.920 56.562 -2.642 1 1 589 . 3 1 1 A 69 69 ALA CB C 49 18.660 42.548 -23.888 1 1 590 . 3 1 1 A 69 69 ALA N N 49 123.340 126.508 -3.168 1 1 591 . 3 1 1 A 70 70 GLY H H 50 8.500 8.089 0.411 1 1 594 . 3 1 1 A 70 70 GLY C C 50 174.070 175.967 -1.897 1 1 595 . 3 1 1 A 70 70 GLY CA C 50 45.390 52.607 -7.217 1 1 596 . 3 1 1 A 70 70 GLY N N 50 108.770 120.850 -12.080 1 1 597 . 3 1 1 A 71 71 GLU H H 51 7.800 8.709 -0.909 1 1 598 . 3 1 1 A 71 71 GLU HA H 51 4.430 4.388 0.042 1 1 603 . 3 1 1 A 71 71 GLU C C 51 176.220 176.965 -0.745 1 1 604 . 3 1 1 A 71 71 GLU CA C 51 55.430 62.104 -6.674 1 1 605 . 3 1 1 A 71 71 GLU CB C 51 30.980 39.453 -8.473 1 1 607 . 3 1 1 A 71 71 GLU N N 51 119.390 118.638 0.752 1 1 608 . 3 1 1 A 72 72 ASP H H 52 8.830 8.014 0.816 1 1 609 . 3 1 1 A 72 72 ASP HA H 52 4.850 4.119 0.731 1 1 612 . 3 1 1 A 72 72 ASP CA C 52 52.110 59.980 -7.870 1 1 613 . 3 1 1 A 72 72 ASP CB C 52 42.070 32.683 9.387 1 1 614 . 3 1 1 A 72 72 ASP N N 52 123.830 122.986 0.844 1 1 615 . 3 1 1 A 73 73 PRO HA H 53 4.410 4.482 -0.072 1 1 622 . 3 1 1 A 73 73 PRO C C 53 177.290 178.603 -1.313 1 1 623 . 3 1 1 A 73 73 PRO CA C 53 64.940 57.271 7.669 1 1 624 . 3 1 1 A 73 73 PRO CB C 53 32.130 40.559 -8.429 1 1 627 . 3 1 1 A 74 74 VAL H H 54 7.950 8.465 -0.515 1 1 628 . 3 1 1 A 74 74 VAL HA H 54 3.360 4.379 -1.019 1 1 636 . 3 1 1 A 74 74 VAL C C 54 177.540 177.791 -0.251 1 1 637 . 3 1 1 A 74 74 VAL CA C 54 66.820 62.218 4.602 1 1 638 . 3 1 1 A 74 74 VAL CB C 54 31.310 39.322 -8.012 1 1 641 . 3 1 1 A 74 74 VAL N N 54 118.670 120.726 -2.056 1 1 642 . 3 1 1 A 75 75 VAL H H 55 7.090 8.547 -1.457 1 1 643 . 3 1 1 A 75 75 VAL HA H 55 3.620 4.121 -0.501 1 1 651 . 3 1 1 A 75 75 VAL C C 55 175.050 177.989 -2.939 1 1 652 . 3 1 1 A 75 75 VAL CA C 55 65.440 58.602 6.838 1 1 653 . 3 1 1 A 75 75 VAL CB C 55 32.210 27.722 4.488 1 1 656 . 3 1 1 A 75 75 VAL N N 55 120.340 117.693 2.647 1 1 657 . 3 1 1 A 76 76 ALA H H 56 8.050 7.894 0.156 1 1 658 . 3 1 1 A 76 76 ALA HA H 56 3.870 3.836 0.034 1 1 662 . 3 1 1 A 76 76 ALA C C 56 178.160 177.080 1.080 1 1 663 . 3 1 1 A 76 76 ALA CA C 56 54.840 67.277 -12.437 1 1 664 . 3 1 1 A 76 76 ALA CB C 56 19.250 68.300 -49.050 1 1 665 . 3 1 1 A 76 76 ALA N N 56 121.910 119.416 2.494 1 1 666 . 3 1 1 A 77 77 LEU H H 57 7.720 7.888 -0.168 1 1 667 . 3 1 1 A 77 77 LEU HA H 57 3.170 4.151 -0.981 1 1 677 . 3 1 1 A 77 77 LEU C C 57 178.010 178.418 -0.408 1 1 678 . 3 1 1 A 77 77 LEU CA C 57 58.260 58.664 -0.404 1 1 679 . 3 1 1 A 77 77 LEU CB C 57 39.970 28.294 11.676 1 1 683 . 3 1 1 A 77 77 LEU N N 57 120.030 120.109 -0.079 1 1 684 . 3 1 1 A 78 78 GLU H H 58 7.840 7.556 0.284 1 1 685 . 3 1 1 A 78 78 GLU HA H 58 3.510 4.162 -0.652 1 1 690 . 3 1 1 A 78 78 GLU C C 58 179.140 177.112 2.028 1 1 691 . 3 1 1 A 78 78 GLU CA C 58 60.290 60.970 -0.680 1 1 692 . 3 1 1 A 78 78 GLU CB C 58 29.420 63.053 -33.633 1 1 694 . 3 1 1 A 78 78 GLU N N 58 116.990 115.632 1.358 1 1 695 . 3 1 1 A 79 79 ALA H H 59 7.710 7.463 0.247 1 1 696 . 3 1 1 A 79 79 ALA HA H 59 3.940 4.128 -0.188 1 1 700 . 3 1 1 A 79 79 ALA C C 59 180.360 177.281 3.079 1 1 701 . 3 1 1 A 79 79 ALA CA C 59 54.790 57.544 -2.754 1 1 702 . 3 1 1 A 79 79 ALA CB C 59 17.930 41.310 -23.380 1 1 703 . 3 1 1 A 79 79 ALA N N 59 120.690 122.129 -1.439 1 1 704 . 3 1 1 A 80 80 ALA H H 60 8.220 7.622 0.598 1 1 705 . 3 1 1 A 80 80 ALA HA H 60 3.970 4.467 -0.497 1 1 709 . 3 1 1 A 80 80 ALA C C 60 180.570 173.627 6.943 1 1 710 . 3 1 1 A 80 80 ALA CA C 60 54.160 61.641 -7.481 1 1 711 . 3 1 1 A 80 80 ALA CB C 60 18.830 70.248 -51.418 1 1 712 . 3 1 1 A 80 80 ALA N N 60 122.230 113.772 8.458 1 1 713 . 3 1 1 A 81 81 LEU H H 61 7.800 8.746 -0.946 1 1 714 . 3 1 1 A 81 81 LEU HA H 61 3.890 4.116 -0.226 1 1 724 . 3 1 1 A 81 81 LEU C C 61 177.590 177.167 0.423 1 1 725 . 3 1 1 A 81 81 LEU CA C 61 56.650 56.664 -0.014 1 1 726 . 3 1 1 A 81 81 LEU CB C 61 42.630 30.198 12.432 1 1 730 . 3 1 1 A 81 81 LEU N N 61 116.150 126.470 -10.320 1 1 731 . 3 1 1 A 82 82 GLN H H 62 7.450 8.937 -1.487 1 1 732 . 3 1 1 A 82 82 GLN HA H 62 4.250 4.301 -0.051 1 1 739 . 3 1 1 A 82 82 GLN C C 62 176.120 174.141 1.979 1 1 740 . 3 1 1 A 82 82 GLN CA C 62 55.880 54.788 1.092 1 1 741 . 3 1 1 A 82 82 GLN CB C 62 29.330 37.220 -7.890 1 1 743 . 3 1 1 A 82 82 GLN N N 62 115.740 119.667 -3.927 1 1 745 . 3 1 1 A 83 83 PHE H H 63 7.300 7.782 -0.482 1 1 746 . 3 1 1 A 83 83 PHE HA H 63 4.900 4.546 0.354 1 1 753 . 3 1 1 A 83 83 PHE C C 63 176.470 175.773 0.697 1 1 754 . 3 1 1 A 83 83 PHE CA C 63 56.260 58.091 -1.831 1 1 755 . 3 1 1 A 83 83 PHE CB C 63 39.000 64.119 -25.119 1 1 758 . 3 1 1 A 83 83 PHE N N 63 120.420 114.677 5.743 1 1 759 . 3 1 1 A 84 84 GLU H H 64 9.090 8.853 0.237 1 1 760 . 3 1 1 A 84 84 GLU HA H 64 3.850 3.918 -0.068 1 1 765 . 3 1 1 A 84 84 GLU C C 64 178.010 176.466 1.544 1 1 766 . 3 1 1 A 84 84 GLU CA C 64 59.910 63.766 -3.856 1 1 767 . 3 1 1 A 84 84 GLU CB C 64 29.640 37.890 -8.250 1 1 769 . 3 1 1 A 84 84 GLU N N 64 126.260 123.502 2.758 1 1 770 . 3 1 1 A 85 85 ASP H H 65 7.670 7.649 0.021 1 1 771 . 3 1 1 A 85 85 ASP HA H 65 4.480 4.745 -0.265 1 1 774 . 3 1 1 A 85 85 ASP C C 65 177.530 177.804 -0.274 1 1 775 . 3 1 1 A 85 85 ASP CA C 65 56.290 54.836 1.454 1 1 776 . 3 1 1 A 85 85 ASP CB C 65 40.480 41.915 -1.435 1 1 777 . 3 1 1 A 85 85 ASP N N 65 114.070 121.550 -7.480 1 1 778 . 3 1 1 A 86 86 THR H H 66 7.560 7.913 -0.353 1 1 779 . 3 1 1 A 86 86 THR HA H 66 4.530 4.021 0.509 1 1 784 . 3 1 1 A 86 86 THR C C 66 176.820 179.760 -2.940 1 1 785 . 3 1 1 A 86 86 THR CA C 66 62.380 54.798 7.582 1 1 786 . 3 1 1 A 86 86 THR CB C 66 70.200 18.225 51.975 1 1 788 . 3 1 1 A 86 86 THR N N 66 106.640 123.061 -16.421 1 1 789 . 3 1 1 A 87 87 ARG H H 67 8.100 8.363 -0.263 1 1 790 . 3 1 1 A 87 87 ARG HA H 67 4.020 4.051 -0.031 1 1 797 . 3 1 1 A 87 87 ARG C C 67 178.760 176.482 2.278 1 1 798 . 3 1 1 A 87 87 ARG CA C 67 61.140 57.912 3.228 1 1 799 . 3 1 1 A 87 87 ARG CB C 67 30.220 27.721 2.499 1 1 802 . 3 1 1 A 87 87 ARG N N 67 124.220 115.706 8.514 1 1 803 . 3 1 1 A 88 88 GLU H H 68 8.790 7.532 1.258 1 1 804 . 3 1 1 A 88 88 GLU HA H 68 4.090 4.418 -0.328 1 1 809 . 3 1 1 A 88 88 GLU C C 68 179.320 176.457 2.863 1 1 810 . 3 1 1 A 88 88 GLU CA C 68 59.150 58.222 0.928 1 1 811 . 3 1 1 A 88 88 GLU CB C 68 28.930 38.512 -9.582 1 1 813 . 3 1 1 A 88 88 GLU N N 68 118.790 117.751 1.039 1 1 814 . 3 1 1 A 89 89 SER H H 69 8.140 7.846 0.294 1 1 815 . 3 1 1 A 89 89 SER HA H 69 4.390 4.141 0.249 1 1 818 . 3 1 1 A 89 89 SER C C 69 176.100 179.360 -3.260 1 1 819 . 3 1 1 A 89 89 SER CA C 69 61.000 54.930 6.070 1 1 820 . 3 1 1 A 89 89 SER CB C 69 63.190 18.252 44.938 1 1 821 . 3 1 1 A 89 89 SER N N 69 115.570 122.376 -6.806 1 1 822 . 3 1 1 A 90 90 MET H H 70 7.690 8.115 -0.425 1 1 831 . 3 1 1 A 90 90 MET C C 70 177.990 173.534 4.456 1 1 832 . 3 1 1 A 90 90 MET CA C 70 55.140 45.521 9.619 1 1 836 . 3 1 1 A 90 90 MET N N 70 118.160 105.837 12.323 1 1 837 . 3 1 1 A 91 91 HIS H H 71 7.740 7.397 0.343 1 1 838 . 3 1 1 A 91 91 HIS HA H 71 4.430 5.056 -0.626 1 1 842 . 3 1 1 A 91 91 HIS C C 71 177.460 174.337 3.123 1 1 843 . 3 1 1 A 91 91 HIS CA C 71 58.830 54.597 4.233 1 1 844 . 3 1 1 A 91 91 HIS CB C 71 29.680 33.454 -3.774 1 1 846 . 3 1 1 A 91 91 HIS N N 71 118.990 120.457 -1.467 1 1 847 . 3 1 1 A 92 92 ALA H H 72 7.230 8.713 -1.483 1 1 848 . 3 1 1 A 92 92 ALA HA H 72 3.900 4.713 -0.813 1 1 852 . 3 1 1 A 92 92 ALA C C 72 177.850 176.682 1.168 1 1 853 . 3 1 1 A 92 92 ALA CA C 72 53.840 52.186 1.654 1 1 854 . 3 1 1 A 92 92 ALA CB C 72 18.250 41.769 -23.519 1 1 855 . 3 1 1 A 92 92 ALA N N 72 120.170 126.519 -6.349 1 1 857 . 3 1 1 A 93 93 PHE HA H 73 4.970 4.508 0.462 1 1 865 . 3 1 1 A 93 93 PHE C C 73 174.000 178.886 -4.886 1 1 866 . 3 1 1 A 93 93 PHE CA C 73 56.420 65.364 -8.944 1 1 867 . 3 1 1 A 93 93 PHE CB C 73 39.050 31.932 7.118 1 1 871 . 3 1 1 A 93 93 PHE N N 73 113.910 142.006 -28.096 1 1 872 . 3 1 1 A 94 94 CYS H H 74 7.690 6.788 0.902 1 1 873 . 3 1 1 A 94 94 CYS HA H 74 4.120 3.581 0.539 1 1 876 . 3 1 1 A 94 94 CYS C C 74 174.900 178.016 -3.116 1 1 877 . 3 1 1 A 94 94 CYS CA C 74 58.200 65.299 -7.099 1 1 878 . 3 1 1 A 94 94 CYS CB C 74 27.320 31.594 -4.274 1 1 879 . 3 1 1 A 94 94 CYS N N 74 121.190 116.476 4.714 1 1 880 . 3 1 1 A 95 95 VAL H H 75 8.770 7.829 0.941 1 1 881 . 3 1 1 A 95 95 VAL HA H 75 3.820 3.594 0.226 1 1 889 . 3 1 1 A 95 95 VAL C C 75 175.640 178.400 -2.760 1 1 890 . 3 1 1 A 95 95 VAL CA C 75 62.250 66.334 -4.084 1 1 891 . 3 1 1 A 95 95 VAL CB C 75 32.280 31.385 0.895 1 1 894 . 3 1 1 A 95 95 VAL N N 75 128.310 120.048 8.262 1 1 895 . 3 1 1 A 96 96 GLY H H 76 7.130 8.080 -0.950 1 1 898 . 3 1 1 A 96 96 GLY C C 76 171.220 179.450 -8.230 1 1 899 . 3 1 1 A 96 96 GLY CA C 76 44.940 55.081 -10.141 1 1 900 . 3 1 1 A 96 96 GLY N N 76 105.330 121.451 -16.121 1 1 901 . 3 1 1 A 97 97 GLN H H 77 8.590 7.487 1.103 1 1 902 . 3 1 1 A 97 97 GLN HA H 77 4.460 3.785 0.675 1 1 909 . 3 1 1 A 97 97 GLN C C 77 174.070 178.598 -4.528 1 1 910 . 3 1 1 A 97 97 GLN CA C 77 54.860 56.832 -1.972 1 1 911 . 3 1 1 A 97 97 GLN CB C 77 30.820 41.102 -10.282 1 1 913 . 3 1 1 A 97 97 GLN N N 77 120.500 120.155 0.345 1 1 915 . 3 1 1 A 98 98 TYR H H 78 8.440 8.196 0.244 1 1 916 . 3 1 1 A 98 98 TYR HA H 78 4.960 3.819 1.141 1 1 923 . 3 1 1 A 98 98 TYR C C 78 174.460 178.947 -4.487 1 1 924 . 3 1 1 A 98 98 TYR CA C 78 56.660 59.475 -2.815 1 1 925 . 3 1 1 A 98 98 TYR CB C 78 40.450 29.123 11.327 1 1 928 . 3 1 1 A 98 98 TYR N N 78 125.460 118.748 6.712 1 1 929 . 3 1 1 A 99 99 LEU H H 79 8.100 7.936 0.164 1 1 930 . 3 1 1 A 99 99 LEU HA H 79 4.360 4.146 0.214 1 1 940 . 3 1 1 A 99 99 LEU C C 79 173.790 179.772 -5.982 1 1 941 . 3 1 1 A 99 99 LEU CA C 79 53.110 54.815 -1.705 1 1 942 . 3 1 1 A 99 99 LEU CB C 79 43.200 18.261 24.939 1 1 946 . 3 1 1 A 99 99 LEU N N 79 131.670 122.793 8.877 1 1 947 . 3 1 1 A 100 100 GLU H H 80 8.160 7.497 0.663 1 1 948 . 3 1 1 A 100 100 GLU HA H 80 4.140 4.283 -0.143 1 1 953 . 3 1 1 A 100 100 GLU CA C 80 54.540 54.777 -0.237 1 1 954 . 3 1 1 A 100 100 GLU CB C 80 29.270 17.914 11.356 1 1 956 . 3 1 1 A 100 100 GLU N N 80 125.120 120.614 4.506 1 1 957 . 3 1 1 A 101 101 PRO HA H 81 4.380 3.971 0.409 1 1 964 . 3 1 1 A 101 101 PRO C C 81 177.370 178.857 -1.487 1 1 965 . 3 1 1 A 101 101 PRO CA C 81 64.050 57.617 6.433 1 1 966 . 3 1 1 A 101 101 PRO CB C 81 32.130 41.113 -8.983 1 1 969 . 3 1 1 A 102 102 ASP H H 82 8.430 7.461 0.969 1 1 970 . 3 1 1 A 102 102 ASP HA H 82 4.550 4.064 0.486 1 1 973 . 3 1 1 A 102 102 ASP C C 82 176.950 176.423 0.527 1 1 974 . 3 1 1 A 102 102 ASP CA C 82 54.680 57.924 -3.244 1 1 975 . 3 1 1 A 102 102 ASP CB C 82 40.630 28.909 11.721 1 1 976 . 3 1 1 A 102 102 ASP N N 82 118.470 118.053 0.417 1 1 977 . 3 1 1 A 103 103 GLN H H 83 8.230 7.652 0.578 1 1 978 . 3 1 1 A 103 103 GLN HA H 83 4.340 4.847 -0.507 1 1 985 . 3 1 1 A 103 103 GLN C C 83 176.210 176.357 -0.147 1 1 986 . 3 1 1 A 103 103 GLN CA C 83 55.640 57.084 -1.444 1 1 987 . 3 1 1 A 103 103 GLN CB C 83 29.630 39.705 -10.075 1 1 989 . 3 1 1 A 103 103 GLN N N 83 119.650 120.693 -1.043 1 1 991 . 3 1 1 A 104 104 GLU H H 84 8.250 8.880 -0.630 1 1 992 . 3 1 1 A 104 104 GLU HA H 84 4.220 4.035 0.185 1 1 997 . 3 1 1 A 104 104 GLU C C 84 177.100 177.974 -0.874 1 1 998 . 3 1 1 A 104 104 GLU CA C 84 57.220 58.804 -1.584 1 1 999 . 3 1 1 A 104 104 GLU CB C 84 30.320 29.004 1.316 1 1 1001 . 3 1 1 A 104 104 GLU N N 84 121.670 126.642 -4.972 1 1 1002 . 3 1 1 A 105 105 GLY H H 85 8.450 7.024 1.426 1 1 1005 . 3 1 1 A 105 105 GLY C C 85 174.000 176.713 -2.713 1 1 1006 . 3 1 1 A 105 105 GLY CA C 85 45.410 55.695 -10.285 1 1 1007 . 3 1 1 A 105 105 GLY N N 85 109.870 120.200 -10.330 1 1 1008 . 3 1 1 A 106 106 VAL H H 86 7.900 7.167 0.733 1 1 1009 . 3 1 1 A 106 106 VAL HA H 86 4.190 4.540 -0.350 1 1 1017 . 3 1 1 A 106 106 VAL C C 86 176.300 175.826 0.474 1 1 1018 . 3 1 1 A 106 106 VAL CA C 86 62.190 61.603 0.587 1 1 1019 . 3 1 1 A 106 106 VAL CB C 86 32.860 70.803 -37.943 1 1 1022 . 3 1 1 A 106 106 VAL N N 86 119.330 105.749 13.581 1 1 1023 . 3 1 1 A 107 107 THR H H 87 8.320 8.140 0.180 1 1 1024 . 3 1 1 A 107 107 THR HA H 87 4.350 4.097 0.253 1 1 1029 . 3 1 1 A 107 107 THR C C 87 174.050 178.258 -4.208 1 1 1030 . 3 1 1 A 107 107 THR CA C 87 61.870 58.426 3.444 1 1 1031 . 3 1 1 A 107 107 THR CB C 87 69.910 29.496 40.414 1 1 1033 . 3 1 1 A 107 107 THR N N 87 119.480 122.941 -3.461 1 1 1034 . 3 1 1 A 108 108 ILE H H 88 8.360 8.412 -0.052 1 1 1035 . 3 1 1 A 108 108 ILE HA H 88 4.470 3.997 0.473 1 1 1045 . 3 1 1 A 108 108 ILE CA C 88 58.410 59.098 -0.688 1 1 1046 . 3 1 1 A 108 108 ILE CB C 88 38.530 29.259 9.271 1 1 1050 . 3 1 1 A 108 108 ILE N N 88 126.140 119.510 6.630 1 1 1051 . 3 1 1 A 109 109 PRO HA H 89 4.380 4.484 -0.104 1 1 1058 . 3 1 1 A 109 109 PRO C C 89 176.290 176.077 0.213 1 1 1059 . 3 1 1 A 109 109 PRO CA C 89 63.210 61.691 1.519 1 1 1060 . 3 1 1 A 109 109 PRO CB C 89 32.220 63.326 -31.106 1 1 1063 . 3 1 1 A 110 110 ASP H H 90 8.370 8.170 0.200 1 1 1064 . 3 1 1 A 110 110 ASP HA H 90 4.580 4.854 -0.274 1 1 1067 . 3 1 1 A 110 110 ASP C C 90 176.200 178.012 -1.812 1 1 1068 . 3 1 1 A 110 110 ASP CA C 90 54.290 56.279 -1.989 1 1 1069 . 3 1 1 A 110 110 ASP CB C 90 41.120 31.657 9.463 1 1 1070 . 3 1 1 A 110 110 ASP N N 90 120.470 119.913 0.557 1 1 1071 . 3 1 1 A 111 111 LEU H H 91 8.250 8.301 -0.051 1 1 1072 . 3 1 1 A 111 111 LEU HA H 91 4.370 4.533 -0.163 1 1 1081 . 3 1 1 A 111 111 LEU C C 91 177.040 176.325 0.715 1 1 1082 . 3 1 1 A 111 111 LEU CA C 91 55.060 57.974 -2.914 1 1 1083 . 3 1 1 A 111 111 LEU CB C 91 42.290 28.297 13.993 1 1 1086 . 3 1 1 A 111 111 LEU N N 91 123.570 118.549 5.021 1 1 1087 . 3 1 1 A 112 112 GLY H H 92 8.080 7.771 0.309 1 1 1090 . 3 1 1 A 112 112 GLY CA C 92 46.190 53.947 -7.757 1 1 246 . 4 1 1 A 42 42 THR H H 22 8.820 7.574 1.246 1 1 247 . 4 1 1 A 42 42 THR HA H 22 4.800 4.813 -0.013 1 1 252 . 4 1 1 A 42 42 THR C C 22 170.950 174.405 -3.455 1 1 253 . 4 1 1 A 42 42 THR CA C 22 60.870 55.152 5.718 1 1 254 . 4 1 1 A 42 42 THR CB C 22 71.510 36.749 34.761 1 1 256 . 4 1 1 A 42 42 THR N N 22 116.000 117.243 -1.243 1 1 257 . 4 1 1 A 43 43 VAL H H 23 8.140 8.819 -0.679 1 1 258 . 4 1 1 A 43 43 VAL HA H 23 4.830 4.772 0.058 1 1 266 . 4 1 1 A 43 43 VAL C C 23 176.470 174.047 2.423 1 1 267 . 4 1 1 A 43 43 VAL CA C 23 61.540 60.042 1.498 1 1 268 . 4 1 1 A 43 43 VAL CB C 23 32.270 35.455 -3.185 1 1 271 . 4 1 1 A 43 43 VAL N N 23 125.850 121.180 4.670 1 1 272 . 4 1 1 A 44 44 ILE H H 24 9.350 8.675 0.675 1 1 273 . 4 1 1 A 44 44 ILE HA H 24 4.220 4.411 -0.191 1 1 283 . 4 1 1 A 44 44 ILE C C 24 176.050 174.052 1.998 1 1 284 . 4 1 1 A 44 44 ILE CA C 24 60.880 63.545 -2.665 1 1 285 . 4 1 1 A 44 44 ILE CB C 24 40.830 68.972 -28.142 1 1 289 . 4 1 1 A 44 44 ILE N N 24 128.460 124.719 3.741 1 1 290 . 4 1 1 A 45 45 ASP H H 25 9.450 9.194 0.256 1 1 291 . 4 1 1 A 45 45 ASP HA H 25 4.320 4.917 -0.597 1 1 294 . 4 1 1 A 45 45 ASP C C 25 176.060 175.731 0.329 1 1 295 . 4 1 1 A 45 45 ASP CA C 25 55.170 53.641 1.529 1 1 296 . 4 1 1 A 45 45 ASP CB C 25 39.870 41.825 -1.955 1 1 297 . 4 1 1 A 45 45 ASP N N 25 129.730 128.778 0.952 1 1 298 . 4 1 1 A 46 46 GLY H H 26 8.360 8.904 -0.544 1 1 301 . 4 1 1 A 46 46 GLY C C 26 173.150 175.659 -2.509 1 1 302 . 4 1 1 A 46 46 GLY CA C 26 46.190 61.867 -15.677 1 1 303 . 4 1 1 A 46 46 GLY N N 26 102.380 125.377 -22.997 1 1 304 . 4 1 1 A 47 47 LYS H H 27 8.000 8.829 -0.829 1 1 305 . 4 1 1 A 47 47 LYS HA H 27 4.780 4.713 0.067 1 1 314 . 4 1 1 A 47 47 LYS C C 27 177.050 178.110 -1.060 1 1 315 . 4 1 1 A 47 47 LYS CA C 27 54.870 55.556 -0.686 1 1 316 . 4 1 1 A 47 47 LYS CB C 27 36.020 31.175 4.845 1 1 320 . 4 1 1 A 47 47 LYS N N 27 121.330 126.287 -4.957 1 1 321 . 4 1 1 A 48 48 VAL H H 28 8.160 8.739 -0.579 1 1 322 . 4 1 1 A 48 48 VAL HA H 28 4.450 4.149 0.301 1 1 330 . 4 1 1 A 48 48 VAL C C 28 174.640 177.910 -3.270 1 1 331 . 4 1 1 A 48 48 VAL CA C 28 60.800 64.551 -3.751 1 1 332 . 4 1 1 A 48 48 VAL CB C 28 32.310 37.633 -5.323 1 1 335 . 4 1 1 A 48 48 VAL N N 28 119.880 124.569 -4.689 1 1 336 . 4 1 1 A 49 49 TYR H H 29 9.130 8.436 0.694 1 1 337 . 4 1 1 A 49 49 TYR HA H 29 5.200 4.073 1.127 1 1 344 . 4 1 1 A 49 49 TYR C C 29 174.540 179.689 -5.149 1 1 345 . 4 1 1 A 49 49 TYR CA C 29 56.640 55.478 1.162 1 1 346 . 4 1 1 A 49 49 TYR CB C 29 43.420 18.020 25.400 1 1 349 . 4 1 1 A 49 49 TYR N N 29 124.890 123.266 1.624 1 1 350 . 4 1 1 A 50 50 ASP H H 30 9.000 8.113 0.887 1 1 351 . 4 1 1 A 50 50 ASP HA H 30 5.330 4.435 0.895 1 1 354 . 4 1 1 A 50 50 ASP C C 30 176.020 178.915 -2.895 1 1 355 . 4 1 1 A 50 50 ASP CA C 30 53.180 57.318 -4.138 1 1 356 . 4 1 1 A 50 50 ASP CB C 30 40.910 40.608 0.302 1 1 357 . 4 1 1 A 50 50 ASP N N 30 119.790 118.960 0.830 1 1 358 . 4 1 1 A 51 51 ILE H H 31 8.700 7.632 1.068 1 1 359 . 4 1 1 A 51 51 ILE HA H 31 3.710 4.232 -0.522 1 1 369 . 4 1 1 A 51 51 ILE C C 31 178.070 179.027 -0.957 1 1 370 . 4 1 1 A 51 51 ILE CA C 31 60.750 58.181 2.569 1 1 371 . 4 1 1 A 51 51 ILE CB C 31 35.230 41.377 -6.147 1 1 375 . 4 1 1 A 51 51 ILE N N 31 125.270 117.803 7.467 1 1 376 . 4 1 1 A 52 52 LYS H H 32 8.030 8.331 -0.301 1 1 377 . 4 1 1 A 52 52 LYS HA H 32 4.340 4.057 0.283 1 1 386 . 4 1 1 A 52 52 LYS C C 32 179.540 179.398 0.142 1 1 387 . 4 1 1 A 52 52 LYS CA C 32 59.380 59.995 -0.615 1 1 388 . 4 1 1 A 52 52 LYS CB C 32 31.930 29.281 2.649 1 1 392 . 4 1 1 A 52 52 LYS N N 32 120.520 119.664 0.856 1 1 393 . 4 1 1 A 53 53 ASP H H 33 7.810 8.030 -0.220 1 1 394 . 4 1 1 A 53 53 ASP HA H 33 4.620 4.588 0.032 1 1 397 . 4 1 1 A 53 53 ASP C C 33 177.670 177.652 0.018 1 1 398 . 4 1 1 A 53 53 ASP CA C 33 56.840 55.805 1.035 1 1 399 . 4 1 1 A 53 53 ASP CB C 33 41.220 38.211 3.009 1 1 400 . 4 1 1 A 53 53 ASP N N 33 120.590 117.245 3.345 1 1 401 . 4 1 1 A 54 54 PHE H H 34 7.660 8.132 -0.472 1 1 402 . 4 1 1 A 54 54 PHE HA H 34 3.100 4.052 -0.952 1 1 410 . 4 1 1 A 54 54 PHE C C 34 176.960 176.871 0.089 1 1 411 . 4 1 1 A 54 54 PHE CA C 34 60.670 58.931 1.739 1 1 412 . 4 1 1 A 54 54 PHE CB C 34 38.870 29.174 9.696 1 1 416 . 4 1 1 A 54 54 PHE N N 34 120.480 121.124 -0.644 1 1 417 . 4 1 1 A 55 55 GLN H H 35 8.860 7.934 0.926 1 1 418 . 4 1 1 A 55 55 GLN HA H 35 3.660 4.293 -0.633 1 1 425 . 4 1 1 A 55 55 GLN C C 35 178.510 177.711 0.799 1 1 426 . 4 1 1 A 55 55 GLN CA C 35 58.980 56.905 2.075 1 1 427 . 4 1 1 A 55 55 GLN CB C 35 29.450 39.348 -9.898 1 1 429 . 4 1 1 A 55 55 GLN N N 35 119.060 116.997 2.063 1 1 431 . 4 1 1 A 56 56 THR H H 36 8.150 7.716 0.434 1 1 432 . 4 1 1 A 56 56 THR HA H 36 3.930 4.393 -0.463 1 1 437 . 4 1 1 A 56 56 THR C C 36 176.550 177.096 -0.546 1 1 438 . 4 1 1 A 56 56 THR CA C 36 66.070 56.049 10.021 1 1 439 . 4 1 1 A 56 56 THR CB C 36 69.030 38.765 30.265 1 1 441 . 4 1 1 A 56 56 THR N N 36 115.130 117.756 -2.626 1 1 442 . 4 1 1 A 57 57 GLN H H 37 8.230 7.469 0.761 1 1 443 . 4 1 1 A 57 57 GLN HA H 37 4.210 4.506 -0.296 1 1 450 . 4 1 1 A 57 57 GLN CA C 37 58.050 54.413 3.637 1 1 451 . 4 1 1 A 57 57 GLN CB C 37 28.290 40.948 -12.658 1 1 453 . 4 1 1 A 57 57 GLN N N 37 119.670 117.399 2.271 1 1 458 . 4 1 1 A 58 58 SER C C 38 174.020 174.008 0.012 1 1 459 . 4 1 1 A 58 58 SER CA C 38 60.500 45.209 15.291 1 1 461 . 4 1 1 A 59 59 LEU H H 39 7.320 7.501 -0.181 1 1 465 . 4 1 1 A 59 59 LEU CA C 39 55.140 45.090 10.050 1 1 467 . 4 1 1 A 59 59 LEU N N 39 120.250 106.880 13.370 1 1 468 . 4 1 1 A 60 60 THR H H 40 7.510 9.164 -1.654 1 1 469 . 4 1 1 A 60 60 THR HA H 40 4.250 4.759 -0.509 1 1 474 . 4 1 1 A 60 60 THR C C 40 174.900 174.423 0.477 1 1 475 . 4 1 1 A 60 60 THR CA C 40 62.320 57.009 5.311 1 1 476 . 4 1 1 A 60 60 THR CB C 40 70.110 39.172 30.938 1 1 478 . 4 1 1 A 60 60 THR N N 40 112.820 126.501 -13.681 1 1 479 . 4 1 1 A 61 61 GLU H H 41 8.510 9.195 -0.685 1 1 480 . 4 1 1 A 61 61 GLU HA H 41 4.100 5.350 -1.250 1 1 485 . 4 1 1 A 61 61 GLU C C 41 176.720 175.302 1.418 1 1 486 . 4 1 1 A 61 61 GLU CA C 41 57.840 56.256 1.584 1 1 487 . 4 1 1 A 61 61 GLU CB C 41 29.840 31.866 -2.026 1 1 489 . 4 1 1 A 61 61 GLU N N 41 123.410 127.694 -4.284 1 1 490 . 4 1 1 A 62 62 ASN H H 42 8.600 8.604 -0.004 1 1 491 . 4 1 1 A 62 62 ASN HA H 42 4.580 4.818 -0.238 1 1 496 . 4 1 1 A 62 62 ASN C C 42 174.940 171.687 3.253 1 1 497 . 4 1 1 A 62 62 ASN CA C 42 53.760 59.997 -6.237 1 1 498 . 4 1 1 A 62 62 ASN CB C 42 38.130 71.605 -33.475 1 1 499 . 4 1 1 A 62 62 ASN N N 42 117.760 114.678 3.082 1 1 501 . 4 1 1 A 63 63 SER H H 43 7.800 8.789 -0.989 1 1 502 . 4 1 1 A 63 63 SER HA H 43 4.400 4.763 -0.363 1 1 505 . 4 1 1 A 63 63 SER C C 43 177.320 174.154 3.166 1 1 506 . 4 1 1 A 63 63 SER CA C 43 58.730 60.212 -1.482 1 1 507 . 4 1 1 A 63 63 SER CB C 43 64.210 32.995 31.215 1 1 508 . 4 1 1 A 63 63 SER N N 43 114.610 126.399 -11.789 1 1 509 . 4 1 1 A 64 64 ILE H H 44 8.710 8.861 -0.151 1 1 510 . 4 1 1 A 64 64 ILE HA H 44 4.180 4.474 -0.294 1 1 520 . 4 1 1 A 64 64 ILE C C 44 176.550 175.930 0.620 1 1 521 . 4 1 1 A 64 64 ILE CA C 44 63.280 60.252 3.028 1 1 522 . 4 1 1 A 64 64 ILE CB C 44 38.110 40.548 -2.438 1 1 526 . 4 1 1 A 64 64 ILE N N 44 125.240 129.105 -3.865 1 1 527 . 4 1 1 A 65 65 LEU H H 45 8.160 9.467 -1.307 1 1 528 . 4 1 1 A 65 65 LEU HA H 45 4.450 4.300 0.150 1 1 538 . 4 1 1 A 65 65 LEU C C 45 177.800 175.520 2.280 1 1 539 . 4 1 1 A 65 65 LEU CA C 45 54.820 55.131 -0.311 1 1 540 . 4 1 1 A 65 65 LEU CB C 45 41.790 39.772 2.018 1 1 544 . 4 1 1 A 65 65 LEU N N 45 118.980 128.081 -9.101 1 1 545 . 4 1 1 A 66 66 ALA H H 46 7.700 8.683 -0.983 1 1 550 . 4 1 1 A 66 66 ALA C C 46 179.870 173.755 6.115 1 1 551 . 4 1 1 A 66 66 ALA CA C 46 54.980 45.724 9.256 1 1 553 . 4 1 1 A 66 66 ALA N N 46 122.830 103.569 19.261 1 1 554 . 4 1 1 A 67 67 GLN H H 47 7.920 7.631 0.289 1 1 555 . 4 1 1 A 67 67 GLN HA H 47 4.110 4.696 -0.586 1 1 562 . 4 1 1 A 67 67 GLN C C 47 175.990 174.756 1.234 1 1 563 . 4 1 1 A 67 67 GLN CA C 47 57.170 53.960 3.210 1 1 564 . 4 1 1 A 67 67 GLN CB C 47 28.180 34.990 -6.810 1 1 566 . 4 1 1 A 67 67 GLN N N 47 115.030 120.197 -5.167 1 1 568 . 4 1 1 A 68 68 PHE H H 48 7.790 8.287 -0.497 1 1 569 . 4 1 1 A 68 68 PHE HA H 48 4.690 4.490 0.200 1 1 576 . 4 1 1 A 68 68 PHE C C 48 175.620 174.415 1.205 1 1 577 . 4 1 1 A 68 68 PHE CA C 48 57.220 61.048 -3.828 1 1 578 . 4 1 1 A 68 68 PHE CB C 48 39.320 32.346 6.974 1 1 581 . 4 1 1 A 68 68 PHE N N 48 118.560 122.755 -4.195 1 1 582 . 4 1 1 A 69 69 ALA H H 49 7.600 8.884 -1.284 1 1 583 . 4 1 1 A 69 69 ALA HA H 49 4.120 5.225 -1.105 1 1 587 . 4 1 1 A 69 69 ALA C C 49 178.250 174.852 3.398 1 1 588 . 4 1 1 A 69 69 ALA CA C 49 53.920 56.633 -2.713 1 1 589 . 4 1 1 A 69 69 ALA CB C 49 18.660 42.322 -23.662 1 1 590 . 4 1 1 A 69 69 ALA N N 49 123.340 126.629 -3.289 1 1 591 . 4 1 1 A 70 70 GLY H H 50 8.500 8.245 0.255 1 1 594 . 4 1 1 A 70 70 GLY C C 50 174.070 175.977 -1.907 1 1 595 . 4 1 1 A 70 70 GLY CA C 50 45.390 52.817 -7.427 1 1 596 . 4 1 1 A 70 70 GLY N N 50 108.770 120.985 -12.215 1 1 597 . 4 1 1 A 71 71 GLU H H 51 7.800 8.533 -0.733 1 1 598 . 4 1 1 A 71 71 GLU HA H 51 4.430 4.202 0.228 1 1 603 . 4 1 1 A 71 71 GLU C C 51 176.220 177.844 -1.624 1 1 604 . 4 1 1 A 71 71 GLU CA C 51 55.430 61.998 -6.568 1 1 605 . 4 1 1 A 71 71 GLU CB C 51 30.980 39.320 -8.340 1 1 607 . 4 1 1 A 71 71 GLU N N 51 119.390 119.531 -0.141 1 1 608 . 4 1 1 A 72 72 ASP H H 52 8.830 8.287 0.543 1 1 609 . 4 1 1 A 72 72 ASP HA H 52 4.850 4.208 0.642 1 1 612 . 4 1 1 A 72 72 ASP CA C 52 52.110 59.317 -7.207 1 1 613 . 4 1 1 A 72 72 ASP CB C 52 42.070 32.399 9.671 1 1 614 . 4 1 1 A 72 72 ASP N N 52 123.830 121.866 1.964 1 1 615 . 4 1 1 A 73 73 PRO HA H 53 4.410 4.521 -0.111 1 1 622 . 4 1 1 A 73 73 PRO C C 53 177.290 178.767 -1.477 1 1 623 . 4 1 1 A 73 73 PRO CA C 53 64.940 57.106 7.834 1 1 624 . 4 1 1 A 73 73 PRO CB C 53 32.130 40.468 -8.338 1 1 627 . 4 1 1 A 74 74 VAL H H 54 7.950 8.138 -0.188 1 1 628 . 4 1 1 A 74 74 VAL HA H 54 3.360 3.974 -0.614 1 1 636 . 4 1 1 A 74 74 VAL C C 54 177.540 177.457 0.083 1 1 637 . 4 1 1 A 74 74 VAL CA C 54 66.820 62.164 4.656 1 1 638 . 4 1 1 A 74 74 VAL CB C 54 31.310 39.336 -8.026 1 1 641 . 4 1 1 A 74 74 VAL N N 54 118.670 120.671 -2.001 1 1 642 . 4 1 1 A 75 75 VAL H H 55 7.090 8.479 -1.389 1 1 643 . 4 1 1 A 75 75 VAL HA H 55 3.620 4.289 -0.669 1 1 651 . 4 1 1 A 75 75 VAL C C 55 175.050 178.051 -3.001 1 1 652 . 4 1 1 A 75 75 VAL CA C 55 65.440 58.522 6.918 1 1 653 . 4 1 1 A 75 75 VAL CB C 55 32.210 27.675 4.535 1 1 656 . 4 1 1 A 75 75 VAL N N 55 120.340 117.866 2.474 1 1 657 . 4 1 1 A 76 76 ALA H H 56 8.050 8.057 -0.007 1 1 658 . 4 1 1 A 76 76 ALA HA H 56 3.870 3.826 0.044 1 1 662 . 4 1 1 A 76 76 ALA C C 56 178.160 176.551 1.609 1 1 663 . 4 1 1 A 76 76 ALA CA C 56 54.840 67.324 -12.484 1 1 664 . 4 1 1 A 76 76 ALA CB C 56 19.250 68.538 -49.288 1 1 665 . 4 1 1 A 76 76 ALA N N 56 121.910 118.016 3.894 1 1 666 . 4 1 1 A 77 77 LEU H H 57 7.720 7.685 0.035 1 1 667 . 4 1 1 A 77 77 LEU HA H 57 3.170 4.220 -1.050 1 1 677 . 4 1 1 A 77 77 LEU C C 57 178.010 178.051 -0.041 1 1 678 . 4 1 1 A 77 77 LEU CA C 57 58.260 57.912 0.348 1 1 679 . 4 1 1 A 77 77 LEU CB C 57 39.970 28.424 11.546 1 1 683 . 4 1 1 A 77 77 LEU N N 57 120.030 119.308 0.722 1 1 684 . 4 1 1 A 78 78 GLU H H 58 7.840 7.787 0.053 1 1 685 . 4 1 1 A 78 78 GLU HA H 58 3.510 4.221 -0.711 1 1 690 . 4 1 1 A 78 78 GLU C C 58 179.140 175.246 3.894 1 1 691 . 4 1 1 A 78 78 GLU CA C 58 60.290 61.528 -1.238 1 1 692 . 4 1 1 A 78 78 GLU CB C 58 29.420 63.129 -33.709 1 1 694 . 4 1 1 A 78 78 GLU N N 58 116.990 116.774 0.216 1 1 695 . 4 1 1 A 79 79 ALA H H 59 7.710 7.264 0.446 1 1 696 . 4 1 1 A 79 79 ALA HA H 59 3.940 4.323 -0.383 1 1 700 . 4 1 1 A 79 79 ALA C C 59 180.360 177.054 3.306 1 1 701 . 4 1 1 A 79 79 ALA CA C 59 54.790 55.073 -0.283 1 1 702 . 4 1 1 A 79 79 ALA CB C 59 17.930 41.793 -23.863 1 1 703 . 4 1 1 A 79 79 ALA N N 59 120.690 118.486 2.204 1 1 704 . 4 1 1 A 80 80 ALA H H 60 8.220 7.385 0.835 1 1 705 . 4 1 1 A 80 80 ALA HA H 60 3.970 4.421 -0.451 1 1 709 . 4 1 1 A 80 80 ALA C C 60 180.570 175.176 5.394 1 1 710 . 4 1 1 A 80 80 ALA CA C 60 54.160 62.971 -8.811 1 1 711 . 4 1 1 A 80 80 ALA CB C 60 18.830 69.504 -50.674 1 1 712 . 4 1 1 A 80 80 ALA N N 60 122.230 114.611 7.619 1 1 713 . 4 1 1 A 81 81 LEU H H 61 7.800 8.944 -1.144 1 1 714 . 4 1 1 A 81 81 LEU HA H 61 3.890 3.944 -0.054 1 1 724 . 4 1 1 A 81 81 LEU C C 61 177.590 178.103 -0.513 1 1 725 . 4 1 1 A 81 81 LEU CA C 61 56.650 59.457 -2.807 1 1 726 . 4 1 1 A 81 81 LEU CB C 61 42.630 29.581 13.049 1 1 730 . 4 1 1 A 81 81 LEU N N 61 116.150 126.090 -9.940 1 1 731 . 4 1 1 A 82 82 GLN H H 62 7.450 7.623 -0.173 1 1 732 . 4 1 1 A 82 82 GLN HA H 62 4.250 4.848 -0.598 1 1 739 . 4 1 1 A 82 82 GLN C C 62 176.120 174.050 2.070 1 1 740 . 4 1 1 A 82 82 GLN CA C 62 55.880 52.106 3.774 1 1 741 . 4 1 1 A 82 82 GLN CB C 62 29.330 37.227 -7.897 1 1 743 . 4 1 1 A 82 82 GLN N N 62 115.740 116.957 -1.217 1 1 745 . 4 1 1 A 83 83 PHE H H 63 7.300 7.497 -0.197 1 1 746 . 4 1 1 A 83 83 PHE HA H 63 4.900 4.904 -0.004 1 1 753 . 4 1 1 A 83 83 PHE C C 63 176.470 175.195 1.275 1 1 754 . 4 1 1 A 83 83 PHE CA C 63 56.260 57.514 -1.254 1 1 755 . 4 1 1 A 83 83 PHE CB C 63 39.000 65.283 -26.283 1 1 758 . 4 1 1 A 83 83 PHE N N 63 120.420 116.640 3.780 1 1 759 . 4 1 1 A 84 84 GLU H H 64 9.090 8.807 0.283 1 1 760 . 4 1 1 A 84 84 GLU HA H 64 3.850 3.785 0.065 1 1 765 . 4 1 1 A 84 84 GLU C C 64 178.010 177.160 0.850 1 1 766 . 4 1 1 A 84 84 GLU CA C 64 59.910 64.070 -4.160 1 1 767 . 4 1 1 A 84 84 GLU CB C 64 29.640 37.758 -8.118 1 1 769 . 4 1 1 A 84 84 GLU N N 64 126.260 124.291 1.969 1 1 770 . 4 1 1 A 85 85 ASP H H 65 7.670 7.873 -0.203 1 1 771 . 4 1 1 A 85 85 ASP HA H 65 4.480 4.389 0.091 1 1 774 . 4 1 1 A 85 85 ASP C C 65 177.530 179.308 -1.778 1 1 775 . 4 1 1 A 85 85 ASP CA C 65 56.290 56.590 -0.300 1 1 776 . 4 1 1 A 85 85 ASP CB C 65 40.480 41.109 -0.629 1 1 777 . 4 1 1 A 85 85 ASP N N 65 114.070 121.384 -7.314 1 1 778 . 4 1 1 A 86 86 THR H H 66 7.560 7.720 -0.160 1 1 779 . 4 1 1 A 86 86 THR HA H 66 4.530 4.105 0.425 1 1 784 . 4 1 1 A 86 86 THR C C 66 176.820 179.852 -3.032 1 1 785 . 4 1 1 A 86 86 THR CA C 66 62.380 54.730 7.650 1 1 786 . 4 1 1 A 86 86 THR CB C 66 70.200 18.185 52.015 1 1 788 . 4 1 1 A 86 86 THR N N 66 106.640 121.697 -15.057 1 1 789 . 4 1 1 A 87 87 ARG H H 67 8.100 7.975 0.125 1 1 790 . 4 1 1 A 87 87 ARG HA H 67 4.020 3.993 0.027 1 1 797 . 4 1 1 A 87 87 ARG C C 67 178.760 176.677 2.083 1 1 798 . 4 1 1 A 87 87 ARG CA C 67 61.140 58.154 2.986 1 1 799 . 4 1 1 A 87 87 ARG CB C 67 30.220 27.798 2.422 1 1 802 . 4 1 1 A 87 87 ARG N N 67 124.220 115.711 8.509 1 1 803 . 4 1 1 A 88 88 GLU H H 68 8.790 7.696 1.094 1 1 804 . 4 1 1 A 88 88 GLU HA H 68 4.090 4.548 -0.458 1 1 809 . 4 1 1 A 88 88 GLU C C 68 179.320 175.816 3.504 1 1 810 . 4 1 1 A 88 88 GLU CA C 68 59.150 58.347 0.803 1 1 811 . 4 1 1 A 88 88 GLU CB C 68 28.930 38.723 -9.793 1 1 813 . 4 1 1 A 88 88 GLU N N 68 118.790 117.701 1.089 1 1 814 . 4 1 1 A 89 89 SER H H 69 8.140 7.588 0.552 1 1 815 . 4 1 1 A 89 89 SER HA H 69 4.390 4.103 0.287 1 1 818 . 4 1 1 A 89 89 SER C C 69 176.100 178.427 -2.327 1 1 819 . 4 1 1 A 89 89 SER CA C 69 61.000 53.930 7.070 1 1 820 . 4 1 1 A 89 89 SER CB C 69 63.190 18.360 44.830 1 1 821 . 4 1 1 A 89 89 SER N N 69 115.570 123.220 -7.650 1 1 822 . 4 1 1 A 90 90 MET H H 70 7.690 8.957 -1.267 1 1 831 . 4 1 1 A 90 90 MET C C 70 177.990 174.182 3.808 1 1 832 . 4 1 1 A 90 90 MET CA C 70 55.140 45.097 10.043 1 1 836 . 4 1 1 A 90 90 MET N N 70 118.160 111.065 7.095 1 1 837 . 4 1 1 A 91 91 HIS H H 71 7.740 7.856 -0.116 1 1 838 . 4 1 1 A 91 91 HIS HA H 71 4.430 4.544 -0.114 1 1 842 . 4 1 1 A 91 91 HIS C C 71 177.460 175.563 1.897 1 1 843 . 4 1 1 A 91 91 HIS CA C 71 58.830 55.542 3.288 1 1 844 . 4 1 1 A 91 91 HIS CB C 71 29.680 31.252 -1.572 1 1 846 . 4 1 1 A 91 91 HIS N N 71 118.990 121.856 -2.866 1 1 847 . 4 1 1 A 92 92 ALA H H 72 7.230 8.427 -1.197 1 1 848 . 4 1 1 A 92 92 ALA HA H 72 3.900 4.778 -0.878 1 1 852 . 4 1 1 A 92 92 ALA C C 72 177.850 176.567 1.283 1 1 853 . 4 1 1 A 92 92 ALA CA C 72 53.840 52.120 1.720 1 1 854 . 4 1 1 A 92 92 ALA CB C 72 18.250 42.103 -23.853 1 1 855 . 4 1 1 A 92 92 ALA N N 72 120.170 125.463 -5.293 1 1 857 . 4 1 1 A 93 93 PHE HA H 73 4.970 4.464 0.506 1 1 865 . 4 1 1 A 93 93 PHE C C 73 174.000 178.350 -4.350 1 1 866 . 4 1 1 A 93 93 PHE CA C 73 56.420 65.001 -8.581 1 1 867 . 4 1 1 A 93 93 PHE CB C 73 39.050 32.262 6.788 1 1 871 . 4 1 1 A 93 93 PHE N N 73 113.910 141.895 -27.985 1 1 872 . 4 1 1 A 94 94 CYS H H 74 7.690 6.847 0.843 1 1 873 . 4 1 1 A 94 94 CYS HA H 74 4.120 3.518 0.602 1 1 876 . 4 1 1 A 94 94 CYS C C 74 174.900 177.869 -2.969 1 1 877 . 4 1 1 A 94 94 CYS CA C 74 58.200 65.110 -6.910 1 1 878 . 4 1 1 A 94 94 CYS CB C 74 27.320 31.506 -4.186 1 1 879 . 4 1 1 A 94 94 CYS N N 74 121.190 116.608 4.582 1 1 880 . 4 1 1 A 95 95 VAL H H 75 8.770 7.795 0.975 1 1 881 . 4 1 1 A 95 95 VAL HA H 75 3.820 3.517 0.303 1 1 889 . 4 1 1 A 95 95 VAL C C 75 175.640 178.091 -2.451 1 1 890 . 4 1 1 A 95 95 VAL CA C 75 62.250 66.329 -4.079 1 1 891 . 4 1 1 A 95 95 VAL CB C 75 32.280 31.535 0.745 1 1 894 . 4 1 1 A 95 95 VAL N N 75 128.310 120.192 8.118 1 1 895 . 4 1 1 A 96 96 GLY H H 76 7.130 7.973 -0.843 1 1 898 . 4 1 1 A 96 96 GLY C C 76 171.220 179.282 -8.062 1 1 899 . 4 1 1 A 96 96 GLY CA C 76 44.940 54.932 -9.992 1 1 900 . 4 1 1 A 96 96 GLY N N 76 105.330 121.379 -16.049 1 1 901 . 4 1 1 A 97 97 GLN H H 77 8.590 7.484 1.106 1 1 902 . 4 1 1 A 97 97 GLN HA H 77 4.460 3.842 0.618 1 1 909 . 4 1 1 A 97 97 GLN C C 77 174.070 178.544 -4.474 1 1 910 . 4 1 1 A 97 97 GLN CA C 77 54.860 56.967 -2.107 1 1 911 . 4 1 1 A 97 97 GLN CB C 77 30.820 41.321 -10.501 1 1 913 . 4 1 1 A 97 97 GLN N N 77 120.500 119.886 0.614 1 1 915 . 4 1 1 A 98 98 TYR H H 78 8.440 8.287 0.153 1 1 916 . 4 1 1 A 98 98 TYR HA H 78 4.960 3.936 1.024 1 1 923 . 4 1 1 A 98 98 TYR C C 78 174.460 179.238 -4.778 1 1 924 . 4 1 1 A 98 98 TYR CA C 78 56.660 59.076 -2.416 1 1 925 . 4 1 1 A 98 98 TYR CB C 78 40.450 29.677 10.773 1 1 928 . 4 1 1 A 98 98 TYR N N 78 125.460 118.769 6.691 1 1 929 . 4 1 1 A 99 99 LEU H H 79 8.100 7.974 0.126 1 1 930 . 4 1 1 A 99 99 LEU HA H 79 4.360 4.110 0.250 1 1 940 . 4 1 1 A 99 99 LEU C C 79 173.790 180.207 -6.417 1 1 941 . 4 1 1 A 99 99 LEU CA C 79 53.110 54.784 -1.674 1 1 942 . 4 1 1 A 99 99 LEU CB C 79 43.200 18.235 24.965 1 1 946 . 4 1 1 A 99 99 LEU N N 79 131.670 123.048 8.622 1 1 947 . 4 1 1 A 100 100 GLU H H 80 8.160 7.522 0.638 1 1 948 . 4 1 1 A 100 100 GLU HA H 80 4.140 4.464 -0.324 1 1 953 . 4 1 1 A 100 100 GLU CA C 80 54.540 54.981 -0.441 1 1 954 . 4 1 1 A 100 100 GLU CB C 80 29.270 18.135 11.135 1 1 956 . 4 1 1 A 100 100 GLU N N 80 125.120 120.617 4.503 1 1 957 . 4 1 1 A 101 101 PRO HA H 81 4.380 3.986 0.394 1 1 964 . 4 1 1 A 101 101 PRO C C 81 177.370 178.413 -1.043 1 1 965 . 4 1 1 A 101 101 PRO CA C 81 64.050 57.807 6.243 1 1 966 . 4 1 1 A 101 101 PRO CB C 81 32.130 41.130 -9.000 1 1 969 . 4 1 1 A 102 102 ASP H H 82 8.430 7.179 1.251 1 1 970 . 4 1 1 A 102 102 ASP HA H 82 4.550 4.327 0.223 1 1 973 . 4 1 1 A 102 102 ASP C C 82 176.950 175.437 1.513 1 1 974 . 4 1 1 A 102 102 ASP CA C 82 54.680 56.750 -2.070 1 1 975 . 4 1 1 A 102 102 ASP CB C 82 40.630 29.534 11.096 1 1 976 . 4 1 1 A 102 102 ASP N N 82 118.470 115.743 2.727 1 1 977 . 4 1 1 A 103 103 GLN H H 83 8.230 7.563 0.667 1 1 978 . 4 1 1 A 103 103 GLN HA H 83 4.340 4.853 -0.513 1 1 985 . 4 1 1 A 103 103 GLN C C 83 176.210 176.408 -0.198 1 1 986 . 4 1 1 A 103 103 GLN CA C 83 55.640 57.055 -1.415 1 1 987 . 4 1 1 A 103 103 GLN CB C 83 29.630 41.893 -12.263 1 1 989 . 4 1 1 A 103 103 GLN N N 83 119.650 120.367 -0.717 1 1 991 . 4 1 1 A 104 104 GLU H H 84 8.250 8.807 -0.557 1 1 992 . 4 1 1 A 104 104 GLU HA H 84 4.220 4.017 0.203 1 1 997 . 4 1 1 A 104 104 GLU C C 84 177.100 177.821 -0.721 1 1 998 . 4 1 1 A 104 104 GLU CA C 84 57.220 59.175 -1.955 1 1 999 . 4 1 1 A 104 104 GLU CB C 84 30.320 28.772 1.548 1 1 1001 . 4 1 1 A 104 104 GLU N N 84 121.670 126.504 -4.834 1 1 1002 . 4 1 1 A 105 105 GLY H H 85 8.450 7.346 1.104 1 1 1005 . 4 1 1 A 105 105 GLY C C 85 174.000 177.919 -3.919 1 1 1006 . 4 1 1 A 105 105 GLY CA C 85 45.410 56.937 -11.527 1 1 1007 . 4 1 1 A 105 105 GLY N N 85 109.870 120.214 -10.344 1 1 1008 . 4 1 1 A 106 106 VAL H H 86 7.900 7.361 0.539 1 1 1009 . 4 1 1 A 106 106 VAL HA H 86 4.190 4.448 -0.258 1 1 1017 . 4 1 1 A 106 106 VAL C C 86 176.300 176.086 0.214 1 1 1018 . 4 1 1 A 106 106 VAL CA C 86 62.190 63.188 -0.998 1 1 1019 . 4 1 1 A 106 106 VAL CB C 86 32.860 69.650 -36.790 1 1 1022 . 4 1 1 A 106 106 VAL N N 86 119.330 110.048 9.282 1 1 1023 . 4 1 1 A 107 107 THR H H 87 8.320 8.239 0.081 1 1 1024 . 4 1 1 A 107 107 THR HA H 87 4.350 4.229 0.121 1 1 1029 . 4 1 1 A 107 107 THR C C 87 174.050 177.805 -3.755 1 1 1030 . 4 1 1 A 107 107 THR CA C 87 61.870 58.410 3.460 1 1 1031 . 4 1 1 A 107 107 THR CB C 87 69.910 30.573 39.337 1 1 1033 . 4 1 1 A 107 107 THR N N 87 119.480 122.232 -2.752 1 1 1034 . 4 1 1 A 108 108 ILE H H 88 8.360 8.328 0.032 1 1 1035 . 4 1 1 A 108 108 ILE HA H 88 4.470 3.906 0.564 1 1 1045 . 4 1 1 A 108 108 ILE CA C 88 58.410 58.914 -0.504 1 1 1046 . 4 1 1 A 108 108 ILE CB C 88 38.530 28.596 9.934 1 1 1050 . 4 1 1 A 108 108 ILE N N 88 126.140 118.881 7.259 1 1 1051 . 4 1 1 A 109 109 PRO HA H 89 4.380 4.204 0.176 1 1 1058 . 4 1 1 A 109 109 PRO C C 89 176.290 176.816 -0.526 1 1 1059 . 4 1 1 A 109 109 PRO CA C 89 63.210 61.233 1.977 1 1 1060 . 4 1 1 A 109 109 PRO CB C 89 32.220 63.275 -31.055 1 1 1063 . 4 1 1 A 110 110 ASP H H 90 8.370 8.009 0.361 1 1 1064 . 4 1 1 A 110 110 ASP HA H 90 4.580 4.943 -0.363 1 1 1067 . 4 1 1 A 110 110 ASP C C 90 176.200 178.147 -1.947 1 1 1068 . 4 1 1 A 110 110 ASP CA C 90 54.290 56.653 -2.363 1 1 1069 . 4 1 1 A 110 110 ASP CB C 90 41.120 31.628 9.492 1 1 1070 . 4 1 1 A 110 110 ASP N N 90 120.470 119.937 0.533 1 1 1071 . 4 1 1 A 111 111 LEU H H 91 8.250 8.213 0.037 1 1 1072 . 4 1 1 A 111 111 LEU HA H 91 4.370 4.443 -0.073 1 1 1081 . 4 1 1 A 111 111 LEU C C 91 177.040 176.699 0.341 1 1 1082 . 4 1 1 A 111 111 LEU CA C 91 55.060 58.676 -3.616 1 1 1083 . 4 1 1 A 111 111 LEU CB C 91 42.290 28.808 13.482 1 1 1086 . 4 1 1 A 111 111 LEU N N 91 123.570 117.429 6.141 1 1 1087 . 4 1 1 A 112 112 GLY H H 92 8.080 7.694 0.386 1 1 1090 . 4 1 1 A 112 112 GLY CA C 92 46.190 54.308 -8.118 1 1 246 . 5 1 1 A 42 42 THR H H 22 8.820 7.639 1.181 1 1 247 . 5 1 1 A 42 42 THR HA H 22 4.800 4.383 0.417 1 1 252 . 5 1 1 A 42 42 THR C C 22 170.950 175.486 -4.536 1 1 253 . 5 1 1 A 42 42 THR CA C 22 60.870 56.351 4.519 1 1 254 . 5 1 1 A 42 42 THR CB C 22 71.510 32.869 38.641 1 1 256 . 5 1 1 A 42 42 THR N N 22 116.000 117.066 -1.066 1 1 257 . 5 1 1 A 43 43 VAL H H 23 8.140 8.665 -0.525 1 1 258 . 5 1 1 A 43 43 VAL HA H 23 4.830 4.869 -0.039 1 1 266 . 5 1 1 A 43 43 VAL C C 23 176.470 174.556 1.914 1 1 267 . 5 1 1 A 43 43 VAL CA C 23 61.540 59.939 1.601 1 1 268 . 5 1 1 A 43 43 VAL CB C 23 32.270 34.069 -1.799 1 1 271 . 5 1 1 A 43 43 VAL N N 23 125.850 122.586 3.264 1 1 272 . 5 1 1 A 44 44 ILE H H 24 9.350 8.781 0.569 1 1 273 . 5 1 1 A 44 44 ILE HA H 24 4.220 4.392 -0.172 1 1 283 . 5 1 1 A 44 44 ILE C C 24 176.050 174.074 1.976 1 1 284 . 5 1 1 A 44 44 ILE CA C 24 60.880 62.881 -2.001 1 1 285 . 5 1 1 A 44 44 ILE CB C 24 40.830 69.224 -28.394 1 1 289 . 5 1 1 A 44 44 ILE N N 24 128.460 123.801 4.659 1 1 290 . 5 1 1 A 45 45 ASP H H 25 9.450 8.907 0.543 1 1 291 . 5 1 1 A 45 45 ASP HA H 25 4.320 4.671 -0.351 1 1 294 . 5 1 1 A 45 45 ASP C C 25 176.060 175.972 0.088 1 1 295 . 5 1 1 A 45 45 ASP CA C 25 55.170 54.255 0.915 1 1 296 . 5 1 1 A 45 45 ASP CB C 25 39.870 40.958 -1.088 1 1 297 . 5 1 1 A 45 45 ASP N N 25 129.730 128.654 1.076 1 1 298 . 5 1 1 A 46 46 GLY H H 26 8.360 8.866 -0.506 1 1 301 . 5 1 1 A 46 46 GLY C C 26 173.150 175.454 -2.304 1 1 302 . 5 1 1 A 46 46 GLY CA C 26 46.190 61.783 -15.593 1 1 303 . 5 1 1 A 46 46 GLY N N 26 102.380 125.406 -23.026 1 1 304 . 5 1 1 A 47 47 LYS H H 27 8.000 8.837 -0.837 1 1 305 . 5 1 1 A 47 47 LYS HA H 27 4.780 4.856 -0.076 1 1 314 . 5 1 1 A 47 47 LYS C C 27 177.050 178.041 -0.991 1 1 315 . 5 1 1 A 47 47 LYS CA C 27 54.870 55.024 -0.154 1 1 316 . 5 1 1 A 47 47 LYS CB C 27 36.020 31.413 4.607 1 1 320 . 5 1 1 A 47 47 LYS N N 27 121.330 126.468 -5.138 1 1 321 . 5 1 1 A 48 48 VAL H H 28 8.160 8.641 -0.481 1 1 322 . 5 1 1 A 48 48 VAL HA H 28 4.450 4.173 0.277 1 1 330 . 5 1 1 A 48 48 VAL C C 28 174.640 177.842 -3.202 1 1 331 . 5 1 1 A 48 48 VAL CA C 28 60.800 64.370 -3.570 1 1 332 . 5 1 1 A 48 48 VAL CB C 28 32.310 37.648 -5.338 1 1 335 . 5 1 1 A 48 48 VAL N N 28 119.880 124.607 -4.727 1 1 336 . 5 1 1 A 49 49 TYR H H 29 9.130 8.444 0.686 1 1 337 . 5 1 1 A 49 49 TYR HA H 29 5.200 4.044 1.156 1 1 344 . 5 1 1 A 49 49 TYR C C 29 174.540 179.367 -4.827 1 1 345 . 5 1 1 A 49 49 TYR CA C 29 56.640 55.536 1.104 1 1 346 . 5 1 1 A 49 49 TYR CB C 29 43.420 17.703 25.717 1 1 349 . 5 1 1 A 49 49 TYR N N 29 124.890 123.214 1.676 1 1 350 . 5 1 1 A 50 50 ASP H H 30 9.000 7.950 1.050 1 1 351 . 5 1 1 A 50 50 ASP HA H 30 5.330 4.585 0.745 1 1 354 . 5 1 1 A 50 50 ASP C C 30 176.020 178.721 -2.701 1 1 355 . 5 1 1 A 50 50 ASP CA C 30 53.180 57.380 -4.200 1 1 356 . 5 1 1 A 50 50 ASP CB C 30 40.910 41.238 -0.328 1 1 357 . 5 1 1 A 50 50 ASP N N 30 119.790 118.669 1.121 1 1 358 . 5 1 1 A 51 51 ILE H H 31 8.700 8.249 0.451 1 1 359 . 5 1 1 A 51 51 ILE HA H 31 3.710 4.333 -0.623 1 1 369 . 5 1 1 A 51 51 ILE C C 31 178.070 178.839 -0.769 1 1 370 . 5 1 1 A 51 51 ILE CA C 31 60.750 58.153 2.597 1 1 371 . 5 1 1 A 51 51 ILE CB C 31 35.230 41.903 -6.673 1 1 375 . 5 1 1 A 51 51 ILE N N 31 125.270 121.099 4.171 1 1 376 . 5 1 1 A 52 52 LYS H H 32 8.030 8.234 -0.204 1 1 377 . 5 1 1 A 52 52 LYS HA H 32 4.340 3.934 0.406 1 1 386 . 5 1 1 A 52 52 LYS C C 32 179.540 179.429 0.111 1 1 387 . 5 1 1 A 52 52 LYS CA C 32 59.380 59.907 -0.527 1 1 388 . 5 1 1 A 52 52 LYS CB C 32 31.930 29.305 2.625 1 1 392 . 5 1 1 A 52 52 LYS N N 32 120.520 118.492 2.028 1 1 393 . 5 1 1 A 53 53 ASP H H 33 7.810 8.063 -0.253 1 1 394 . 5 1 1 A 53 53 ASP HA H 33 4.620 4.404 0.216 1 1 397 . 5 1 1 A 53 53 ASP C C 33 177.670 177.940 -0.270 1 1 398 . 5 1 1 A 53 53 ASP CA C 33 56.840 56.356 0.484 1 1 399 . 5 1 1 A 53 53 ASP CB C 33 41.220 38.557 2.663 1 1 400 . 5 1 1 A 53 53 ASP N N 33 120.590 118.371 2.219 1 1 401 . 5 1 1 A 54 54 PHE H H 34 7.660 7.965 -0.305 1 1 402 . 5 1 1 A 54 54 PHE HA H 34 3.100 4.160 -1.060 1 1 410 . 5 1 1 A 54 54 PHE C C 34 176.960 176.861 0.099 1 1 411 . 5 1 1 A 54 54 PHE CA C 34 60.670 59.846 0.824 1 1 412 . 5 1 1 A 54 54 PHE CB C 34 38.870 28.848 10.022 1 1 416 . 5 1 1 A 54 54 PHE N N 34 120.480 119.961 0.519 1 1 417 . 5 1 1 A 55 55 GLN H H 35 8.860 8.159 0.701 1 1 418 . 5 1 1 A 55 55 GLN HA H 35 3.660 4.448 -0.788 1 1 425 . 5 1 1 A 55 55 GLN C C 35 178.510 177.366 1.144 1 1 426 . 5 1 1 A 55 55 GLN CA C 35 58.980 56.767 2.213 1 1 427 . 5 1 1 A 55 55 GLN CB C 35 29.450 38.409 -8.959 1 1 429 . 5 1 1 A 55 55 GLN N N 35 119.060 116.610 2.450 1 1 431 . 5 1 1 A 56 56 THR H H 36 8.150 8.208 -0.058 1 1 432 . 5 1 1 A 56 56 THR HA H 36 3.930 4.418 -0.488 1 1 437 . 5 1 1 A 56 56 THR C C 36 176.550 177.559 -1.009 1 1 438 . 5 1 1 A 56 56 THR CA C 36 66.070 56.226 9.844 1 1 439 . 5 1 1 A 56 56 THR CB C 36 69.030 38.915 30.115 1 1 441 . 5 1 1 A 56 56 THR N N 36 115.130 117.733 -2.603 1 1 442 . 5 1 1 A 57 57 GLN H H 37 8.230 7.677 0.553 1 1 443 . 5 1 1 A 57 57 GLN HA H 37 4.210 4.479 -0.269 1 1 450 . 5 1 1 A 57 57 GLN CA C 37 58.050 54.236 3.814 1 1 451 . 5 1 1 A 57 57 GLN CB C 37 28.290 40.760 -12.470 1 1 453 . 5 1 1 A 57 57 GLN N N 37 119.670 116.519 3.151 1 1 458 . 5 1 1 A 58 58 SER C C 38 174.020 175.084 -1.064 1 1 459 . 5 1 1 A 58 58 SER CA C 38 60.500 45.215 15.285 1 1 461 . 5 1 1 A 59 59 LEU H H 39 7.320 7.760 -0.440 1 1 465 . 5 1 1 A 59 59 LEU CA C 39 55.140 46.503 8.637 1 1 467 . 5 1 1 A 59 59 LEU N N 39 120.250 107.705 12.545 1 1 468 . 5 1 1 A 60 60 THR H H 40 7.510 8.715 -1.205 1 1 469 . 5 1 1 A 60 60 THR HA H 40 4.250 4.910 -0.660 1 1 474 . 5 1 1 A 60 60 THR C C 40 174.900 174.512 0.388 1 1 475 . 5 1 1 A 60 60 THR CA C 40 62.320 57.474 4.846 1 1 476 . 5 1 1 A 60 60 THR CB C 40 70.110 39.331 30.779 1 1 478 . 5 1 1 A 60 60 THR N N 40 112.820 126.235 -13.415 1 1 479 . 5 1 1 A 61 61 GLU H H 41 8.510 9.004 -0.494 1 1 480 . 5 1 1 A 61 61 GLU HA H 41 4.100 5.581 -1.481 1 1 485 . 5 1 1 A 61 61 GLU C C 41 176.720 175.124 1.596 1 1 486 . 5 1 1 A 61 61 GLU CA C 41 57.840 56.437 1.403 1 1 487 . 5 1 1 A 61 61 GLU CB C 41 29.840 31.941 -2.101 1 1 489 . 5 1 1 A 61 61 GLU N N 41 123.410 127.877 -4.467 1 1 490 . 5 1 1 A 62 62 ASN H H 42 8.600 8.898 -0.298 1 1 491 . 5 1 1 A 62 62 ASN HA H 42 4.580 5.188 -0.608 1 1 496 . 5 1 1 A 62 62 ASN C C 42 174.940 172.014 2.926 1 1 497 . 5 1 1 A 62 62 ASN CA C 42 53.760 59.719 -5.959 1 1 498 . 5 1 1 A 62 62 ASN CB C 42 38.130 72.390 -34.260 1 1 499 . 5 1 1 A 62 62 ASN N N 42 117.760 115.103 2.657 1 1 501 . 5 1 1 A 63 63 SER H H 43 7.800 8.820 -1.020 1 1 502 . 5 1 1 A 63 63 SER HA H 43 4.400 5.248 -0.848 1 1 505 . 5 1 1 A 63 63 SER C C 43 177.320 174.349 2.971 1 1 506 . 5 1 1 A 63 63 SER CA C 43 58.730 60.145 -1.415 1 1 507 . 5 1 1 A 63 63 SER CB C 43 64.210 33.477 30.733 1 1 508 . 5 1 1 A 63 63 SER N N 43 114.610 123.330 -8.720 1 1 509 . 5 1 1 A 64 64 ILE H H 44 8.710 8.902 -0.192 1 1 510 . 5 1 1 A 64 64 ILE HA H 44 4.180 4.554 -0.374 1 1 520 . 5 1 1 A 64 64 ILE C C 44 176.550 175.984 0.566 1 1 521 . 5 1 1 A 64 64 ILE CA C 44 63.280 60.142 3.138 1 1 522 . 5 1 1 A 64 64 ILE CB C 44 38.110 40.590 -2.480 1 1 526 . 5 1 1 A 64 64 ILE N N 44 125.240 129.704 -4.464 1 1 527 . 5 1 1 A 65 65 LEU H H 45 8.160 9.493 -1.333 1 1 528 . 5 1 1 A 65 65 LEU HA H 45 4.450 4.327 0.123 1 1 538 . 5 1 1 A 65 65 LEU C C 45 177.800 175.575 2.225 1 1 539 . 5 1 1 A 65 65 LEU CA C 45 54.820 55.159 -0.339 1 1 540 . 5 1 1 A 65 65 LEU CB C 45 41.790 39.826 1.964 1 1 544 . 5 1 1 A 65 65 LEU N N 45 118.980 127.965 -8.985 1 1 545 . 5 1 1 A 66 66 ALA H H 46 7.700 8.742 -1.042 1 1 550 . 5 1 1 A 66 66 ALA C C 46 179.870 173.825 6.045 1 1 551 . 5 1 1 A 66 66 ALA CA C 46 54.980 45.950 9.030 1 1 553 . 5 1 1 A 66 66 ALA N N 46 122.830 104.131 18.699 1 1 554 . 5 1 1 A 67 67 GLN H H 47 7.920 7.913 0.007 1 1 555 . 5 1 1 A 67 67 GLN HA H 47 4.110 4.688 -0.578 1 1 562 . 5 1 1 A 67 67 GLN C C 47 175.990 175.317 0.673 1 1 563 . 5 1 1 A 67 67 GLN CA C 47 57.170 54.008 3.162 1 1 564 . 5 1 1 A 67 67 GLN CB C 47 28.180 34.848 -6.668 1 1 566 . 5 1 1 A 67 67 GLN N N 47 115.030 119.901 -4.871 1 1 568 . 5 1 1 A 68 68 PHE H H 48 7.790 8.374 -0.584 1 1 569 . 5 1 1 A 68 68 PHE HA H 48 4.690 4.937 -0.247 1 1 576 . 5 1 1 A 68 68 PHE C C 48 175.620 174.406 1.214 1 1 577 . 5 1 1 A 68 68 PHE CA C 48 57.220 61.019 -3.799 1 1 578 . 5 1 1 A 68 68 PHE CB C 48 39.320 32.519 6.801 1 1 581 . 5 1 1 A 68 68 PHE N N 48 118.560 121.704 -3.144 1 1 582 . 5 1 1 A 69 69 ALA H H 49 7.600 8.994 -1.394 1 1 583 . 5 1 1 A 69 69 ALA HA H 49 4.120 5.419 -1.299 1 1 587 . 5 1 1 A 69 69 ALA C C 49 178.250 174.411 3.839 1 1 588 . 5 1 1 A 69 69 ALA CA C 49 53.920 55.749 -1.829 1 1 589 . 5 1 1 A 69 69 ALA CB C 49 18.660 41.814 -23.154 1 1 590 . 5 1 1 A 69 69 ALA N N 49 123.340 126.763 -3.423 1 1 591 . 5 1 1 A 70 70 GLY H H 50 8.500 8.854 -0.354 1 1 594 . 5 1 1 A 70 70 GLY C C 50 174.070 176.103 -2.033 1 1 595 . 5 1 1 A 70 70 GLY CA C 50 45.390 53.020 -7.630 1 1 596 . 5 1 1 A 70 70 GLY N N 50 108.770 123.246 -14.476 1 1 597 . 5 1 1 A 71 71 GLU H H 51 7.800 8.789 -0.989 1 1 598 . 5 1 1 A 71 71 GLU HA H 51 4.430 3.749 0.681 1 1 603 . 5 1 1 A 71 71 GLU C C 51 176.220 178.072 -1.852 1 1 604 . 5 1 1 A 71 71 GLU CA C 51 55.430 64.586 -9.156 1 1 605 . 5 1 1 A 71 71 GLU CB C 51 30.980 37.738 -6.758 1 1 607 . 5 1 1 A 71 71 GLU N N 51 119.390 125.861 -6.471 1 1 608 . 5 1 1 A 72 72 ASP H H 52 8.830 7.998 0.832 1 1 609 . 5 1 1 A 72 72 ASP HA H 52 4.850 4.295 0.555 1 1 612 . 5 1 1 A 72 72 ASP CA C 52 52.110 59.066 -6.956 1 1 613 . 5 1 1 A 72 72 ASP CB C 52 42.070 31.952 10.118 1 1 614 . 5 1 1 A 72 72 ASP N N 52 123.830 120.791 3.039 1 1 615 . 5 1 1 A 73 73 PRO HA H 53 4.410 4.513 -0.103 1 1 622 . 5 1 1 A 73 73 PRO C C 53 177.290 178.516 -1.226 1 1 623 . 5 1 1 A 73 73 PRO CA C 53 64.940 57.337 7.603 1 1 624 . 5 1 1 A 73 73 PRO CB C 53 32.130 40.794 -8.664 1 1 627 . 5 1 1 A 74 74 VAL H H 54 7.950 7.796 0.154 1 1 628 . 5 1 1 A 74 74 VAL HA H 54 3.360 3.479 -0.119 1 1 636 . 5 1 1 A 74 74 VAL C C 54 177.540 177.709 -0.169 1 1 637 . 5 1 1 A 74 74 VAL CA C 54 66.820 61.658 5.162 1 1 638 . 5 1 1 A 74 74 VAL CB C 54 31.310 38.761 -7.451 1 1 641 . 5 1 1 A 74 74 VAL N N 54 118.670 120.508 -1.838 1 1 642 . 5 1 1 A 75 75 VAL H H 55 7.090 8.312 -1.222 1 1 643 . 5 1 1 A 75 75 VAL HA H 55 3.620 4.115 -0.495 1 1 651 . 5 1 1 A 75 75 VAL C C 55 175.050 177.829 -2.779 1 1 652 . 5 1 1 A 75 75 VAL CA C 55 65.440 58.503 6.937 1 1 653 . 5 1 1 A 75 75 VAL CB C 55 32.210 27.679 4.531 1 1 656 . 5 1 1 A 75 75 VAL N N 55 120.340 117.497 2.843 1 1 657 . 5 1 1 A 76 76 ALA H H 56 8.050 7.492 0.558 1 1 658 . 5 1 1 A 76 76 ALA HA H 56 3.870 4.014 -0.144 1 1 662 . 5 1 1 A 76 76 ALA C C 56 178.160 177.204 0.956 1 1 663 . 5 1 1 A 76 76 ALA CA C 56 54.840 66.627 -11.787 1 1 664 . 5 1 1 A 76 76 ALA CB C 56 19.250 68.363 -49.113 1 1 665 . 5 1 1 A 76 76 ALA N N 56 121.910 118.827 3.083 1 1 666 . 5 1 1 A 77 77 LEU H H 57 7.720 7.828 -0.108 1 1 667 . 5 1 1 A 77 77 LEU HA H 57 3.170 4.084 -0.914 1 1 677 . 5 1 1 A 77 77 LEU C C 57 178.010 178.617 -0.607 1 1 678 . 5 1 1 A 77 77 LEU CA C 57 58.260 58.597 -0.337 1 1 679 . 5 1 1 A 77 77 LEU CB C 57 39.970 28.340 11.630 1 1 683 . 5 1 1 A 77 77 LEU N N 57 120.030 121.047 -1.017 1 1 684 . 5 1 1 A 78 78 GLU H H 58 7.840 7.933 -0.093 1 1 685 . 5 1 1 A 78 78 GLU HA H 58 3.510 4.123 -0.613 1 1 690 . 5 1 1 A 78 78 GLU C C 58 179.140 176.159 2.981 1 1 691 . 5 1 1 A 78 78 GLU CA C 58 60.290 61.872 -1.582 1 1 692 . 5 1 1 A 78 78 GLU CB C 58 29.420 62.805 -33.385 1 1 694 . 5 1 1 A 78 78 GLU N N 58 116.990 117.035 -0.045 1 1 695 . 5 1 1 A 79 79 ALA H H 59 7.710 7.502 0.208 1 1 696 . 5 1 1 A 79 79 ALA HA H 59 3.940 4.113 -0.173 1 1 700 . 5 1 1 A 79 79 ALA C C 59 180.360 177.359 3.001 1 1 701 . 5 1 1 A 79 79 ALA CA C 59 54.790 58.083 -3.293 1 1 702 . 5 1 1 A 79 79 ALA CB C 59 17.930 41.692 -23.762 1 1 703 . 5 1 1 A 79 79 ALA N N 59 120.690 122.883 -2.193 1 1 704 . 5 1 1 A 80 80 ALA H H 60 8.220 7.723 0.497 1 1 705 . 5 1 1 A 80 80 ALA HA H 60 3.970 4.266 -0.296 1 1 709 . 5 1 1 A 80 80 ALA C C 60 180.570 175.158 5.412 1 1 710 . 5 1 1 A 80 80 ALA CA C 60 54.160 64.256 -10.096 1 1 711 . 5 1 1 A 80 80 ALA CB C 60 18.830 69.033 -50.203 1 1 712 . 5 1 1 A 80 80 ALA N N 60 122.230 113.213 9.017 1 1 713 . 5 1 1 A 81 81 LEU H H 61 7.800 8.844 -1.044 1 1 714 . 5 1 1 A 81 81 LEU HA H 61 3.890 3.916 -0.026 1 1 724 . 5 1 1 A 81 81 LEU C C 61 177.590 178.276 -0.686 1 1 725 . 5 1 1 A 81 81 LEU CA C 61 56.650 59.703 -3.053 1 1 726 . 5 1 1 A 81 81 LEU CB C 61 42.630 29.354 13.276 1 1 730 . 5 1 1 A 81 81 LEU N N 61 116.150 127.500 -11.350 1 1 731 . 5 1 1 A 82 82 GLN H H 62 7.450 7.958 -0.508 1 1 732 . 5 1 1 A 82 82 GLN HA H 62 4.250 4.631 -0.381 1 1 739 . 5 1 1 A 82 82 GLN C C 62 176.120 175.530 0.590 1 1 740 . 5 1 1 A 82 82 GLN CA C 62 55.880 55.032 0.848 1 1 741 . 5 1 1 A 82 82 GLN CB C 62 29.330 38.552 -9.222 1 1 743 . 5 1 1 A 82 82 GLN N N 62 115.740 116.874 -1.134 1 1 745 . 5 1 1 A 83 83 PHE H H 63 7.300 7.410 -0.110 1 1 746 . 5 1 1 A 83 83 PHE HA H 63 4.900 4.516 0.384 1 1 753 . 5 1 1 A 83 83 PHE C C 63 176.470 175.453 1.017 1 1 754 . 5 1 1 A 83 83 PHE CA C 63 56.260 57.895 -1.635 1 1 755 . 5 1 1 A 83 83 PHE CB C 63 39.000 64.294 -25.294 1 1 758 . 5 1 1 A 83 83 PHE N N 63 120.420 114.357 6.063 1 1 759 . 5 1 1 A 84 84 GLU H H 64 9.090 8.845 0.245 1 1 760 . 5 1 1 A 84 84 GLU HA H 64 3.850 3.774 0.076 1 1 765 . 5 1 1 A 84 84 GLU C C 64 178.010 176.714 1.296 1 1 766 . 5 1 1 A 84 84 GLU CA C 64 59.910 64.104 -4.194 1 1 767 . 5 1 1 A 84 84 GLU CB C 64 29.640 37.762 -8.122 1 1 769 . 5 1 1 A 84 84 GLU N N 64 126.260 123.676 2.584 1 1 770 . 5 1 1 A 85 85 ASP H H 65 7.670 7.691 -0.021 1 1 771 . 5 1 1 A 85 85 ASP HA H 65 4.480 4.444 0.036 1 1 774 . 5 1 1 A 85 85 ASP C C 65 177.530 178.428 -0.898 1 1 775 . 5 1 1 A 85 85 ASP CA C 65 56.290 55.738 0.552 1 1 776 . 5 1 1 A 85 85 ASP CB C 65 40.480 41.089 -0.609 1 1 777 . 5 1 1 A 85 85 ASP N N 65 114.070 121.432 -7.362 1 1 778 . 5 1 1 A 86 86 THR H H 66 7.560 7.585 -0.025 1 1 779 . 5 1 1 A 86 86 THR HA H 66 4.530 3.972 0.558 1 1 784 . 5 1 1 A 86 86 THR C C 66 176.820 180.040 -3.220 1 1 785 . 5 1 1 A 86 86 THR CA C 66 62.380 54.774 7.606 1 1 786 . 5 1 1 A 86 86 THR CB C 66 70.200 18.353 51.847 1 1 788 . 5 1 1 A 86 86 THR N N 66 106.640 122.580 -15.940 1 1 789 . 5 1 1 A 87 87 ARG H H 67 8.100 7.845 0.255 1 1 790 . 5 1 1 A 87 87 ARG HA H 67 4.020 3.961 0.059 1 1 797 . 5 1 1 A 87 87 ARG C C 67 178.760 176.563 2.197 1 1 798 . 5 1 1 A 87 87 ARG CA C 67 61.140 57.924 3.216 1 1 799 . 5 1 1 A 87 87 ARG CB C 67 30.220 27.616 2.604 1 1 802 . 5 1 1 A 87 87 ARG N N 67 124.220 115.909 8.311 1 1 803 . 5 1 1 A 88 88 GLU H H 68 8.790 7.689 1.101 1 1 804 . 5 1 1 A 88 88 GLU HA H 68 4.090 4.522 -0.432 1 1 809 . 5 1 1 A 88 88 GLU C C 68 179.320 175.742 3.578 1 1 810 . 5 1 1 A 88 88 GLU CA C 68 59.150 58.605 0.545 1 1 811 . 5 1 1 A 88 88 GLU CB C 68 28.930 39.003 -10.073 1 1 813 . 5 1 1 A 88 88 GLU N N 68 118.790 117.632 1.158 1 1 814 . 5 1 1 A 89 89 SER H H 69 8.140 7.321 0.819 1 1 815 . 5 1 1 A 89 89 SER HA H 69 4.390 4.080 0.310 1 1 818 . 5 1 1 A 89 89 SER C C 69 176.100 178.064 -1.964 1 1 819 . 5 1 1 A 89 89 SER CA C 69 61.000 54.036 6.964 1 1 820 . 5 1 1 A 89 89 SER CB C 69 63.190 18.341 44.849 1 1 821 . 5 1 1 A 89 89 SER N N 69 115.570 122.919 -7.349 1 1 822 . 5 1 1 A 90 90 MET H H 70 7.690 8.814 -1.124 1 1 831 . 5 1 1 A 90 90 MET C C 70 177.990 174.484 3.506 1 1 832 . 5 1 1 A 90 90 MET CA C 70 55.140 45.264 9.876 1 1 836 . 5 1 1 A 90 90 MET N N 70 118.160 111.650 6.510 1 1 837 . 5 1 1 A 91 91 HIS H H 71 7.740 7.894 -0.154 1 1 838 . 5 1 1 A 91 91 HIS HA H 71 4.430 4.417 0.013 1 1 842 . 5 1 1 A 91 91 HIS C C 71 177.460 175.767 1.693 1 1 843 . 5 1 1 A 91 91 HIS CA C 71 58.830 56.044 2.786 1 1 844 . 5 1 1 A 91 91 HIS CB C 71 29.680 30.955 -1.275 1 1 846 . 5 1 1 A 91 91 HIS N N 71 118.990 121.808 -2.818 1 1 847 . 5 1 1 A 92 92 ALA H H 72 7.230 8.430 -1.200 1 1 848 . 5 1 1 A 92 92 ALA HA H 72 3.900 4.663 -0.763 1 1 852 . 5 1 1 A 92 92 ALA C C 72 177.850 176.614 1.236 1 1 853 . 5 1 1 A 92 92 ALA CA C 72 53.840 52.083 1.757 1 1 854 . 5 1 1 A 92 92 ALA CB C 72 18.250 41.804 -23.554 1 1 855 . 5 1 1 A 92 92 ALA N N 72 120.170 125.796 -5.626 1 1 857 . 5 1 1 A 93 93 PHE HA H 73 4.970 4.272 0.698 1 1 865 . 5 1 1 A 93 93 PHE C C 73 174.000 178.315 -4.315 1 1 866 . 5 1 1 A 93 93 PHE CA C 73 56.420 65.017 -8.597 1 1 867 . 5 1 1 A 93 93 PHE CB C 73 39.050 31.765 7.285 1 1 871 . 5 1 1 A 93 93 PHE N N 73 113.910 141.461 -27.551 1 1 872 . 5 1 1 A 94 94 CYS H H 74 7.690 6.601 1.089 1 1 873 . 5 1 1 A 94 94 CYS HA H 74 4.120 3.502 0.618 1 1 876 . 5 1 1 A 94 94 CYS C C 74 174.900 177.724 -2.824 1 1 877 . 5 1 1 A 94 94 CYS CA C 74 58.200 65.182 -6.982 1 1 878 . 5 1 1 A 94 94 CYS CB C 74 27.320 31.598 -4.278 1 1 879 . 5 1 1 A 94 94 CYS N N 74 121.190 116.343 4.847 1 1 880 . 5 1 1 A 95 95 VAL H H 75 8.770 7.795 0.975 1 1 881 . 5 1 1 A 95 95 VAL HA H 75 3.820 3.760 0.060 1 1 889 . 5 1 1 A 95 95 VAL C C 75 175.640 178.669 -3.029 1 1 890 . 5 1 1 A 95 95 VAL CA C 75 62.250 66.253 -4.003 1 1 891 . 5 1 1 A 95 95 VAL CB C 75 32.280 31.310 0.970 1 1 894 . 5 1 1 A 95 95 VAL N N 75 128.310 119.669 8.641 1 1 895 . 5 1 1 A 96 96 GLY H H 76 7.130 8.012 -0.882 1 1 898 . 5 1 1 A 96 96 GLY C C 76 171.220 179.499 -8.279 1 1 899 . 5 1 1 A 96 96 GLY CA C 76 44.940 54.919 -9.979 1 1 900 . 5 1 1 A 96 96 GLY N N 76 105.330 121.653 -16.323 1 1 901 . 5 1 1 A 97 97 GLN H H 77 8.590 7.359 1.231 1 1 902 . 5 1 1 A 97 97 GLN HA H 77 4.460 3.764 0.696 1 1 909 . 5 1 1 A 97 97 GLN C C 77 174.070 178.569 -4.499 1 1 910 . 5 1 1 A 97 97 GLN CA C 77 54.860 56.909 -2.049 1 1 911 . 5 1 1 A 97 97 GLN CB C 77 30.820 41.315 -10.495 1 1 913 . 5 1 1 A 97 97 GLN N N 77 120.500 120.003 0.497 1 1 915 . 5 1 1 A 98 98 TYR H H 78 8.440 8.089 0.351 1 1 916 . 5 1 1 A 98 98 TYR HA H 78 4.960 3.918 1.042 1 1 923 . 5 1 1 A 98 98 TYR C C 78 174.460 179.162 -4.702 1 1 924 . 5 1 1 A 98 98 TYR CA C 78 56.660 59.235 -2.575 1 1 925 . 5 1 1 A 98 98 TYR CB C 78 40.450 29.289 11.161 1 1 928 . 5 1 1 A 98 98 TYR N N 78 125.460 119.110 6.350 1 1 929 . 5 1 1 A 99 99 LEU H H 79 8.100 7.802 0.298 1 1 930 . 5 1 1 A 99 99 LEU HA H 79 4.360 4.169 0.191 1 1 940 . 5 1 1 A 99 99 LEU C C 79 173.790 180.090 -6.300 1 1 941 . 5 1 1 A 99 99 LEU CA C 79 53.110 54.811 -1.701 1 1 942 . 5 1 1 A 99 99 LEU CB C 79 43.200 18.195 25.005 1 1 946 . 5 1 1 A 99 99 LEU N N 79 131.670 123.153 8.517 1 1 947 . 5 1 1 A 100 100 GLU H H 80 8.160 7.550 0.610 1 1 948 . 5 1 1 A 100 100 GLU HA H 80 4.140 4.474 -0.334 1 1 953 . 5 1 1 A 100 100 GLU CA C 80 54.540 55.032 -0.492 1 1 954 . 5 1 1 A 100 100 GLU CB C 80 29.270 18.166 11.104 1 1 956 . 5 1 1 A 100 100 GLU N N 80 125.120 120.634 4.486 1 1 957 . 5 1 1 A 101 101 PRO HA H 81 4.380 4.019 0.361 1 1 964 . 5 1 1 A 101 101 PRO C C 81 177.370 179.098 -1.728 1 1 965 . 5 1 1 A 101 101 PRO CA C 81 64.050 57.685 6.365 1 1 966 . 5 1 1 A 101 101 PRO CB C 81 32.130 41.345 -9.215 1 1 969 . 5 1 1 A 102 102 ASP H H 82 8.430 7.888 0.542 1 1 970 . 5 1 1 A 102 102 ASP HA H 82 4.550 4.074 0.476 1 1 973 . 5 1 1 A 102 102 ASP C C 82 176.950 176.557 0.393 1 1 974 . 5 1 1 A 102 102 ASP CA C 82 54.680 58.563 -3.883 1 1 975 . 5 1 1 A 102 102 ASP CB C 82 40.630 28.712 11.918 1 1 976 . 5 1 1 A 102 102 ASP N N 82 118.470 118.515 -0.045 1 1 977 . 5 1 1 A 103 103 GLN H H 83 8.230 7.755 0.475 1 1 978 . 5 1 1 A 103 103 GLN HA H 83 4.340 4.870 -0.530 1 1 985 . 5 1 1 A 103 103 GLN C C 83 176.210 176.522 -0.312 1 1 986 . 5 1 1 A 103 103 GLN CA C 83 55.640 57.528 -1.888 1 1 987 . 5 1 1 A 103 103 GLN CB C 83 29.630 40.218 -10.588 1 1 989 . 5 1 1 A 103 103 GLN N N 83 119.650 120.624 -0.974 1 1 991 . 5 1 1 A 104 104 GLU H H 84 8.250 8.399 -0.149 1 1 992 . 5 1 1 A 104 104 GLU HA H 84 4.220 4.046 0.174 1 1 997 . 5 1 1 A 104 104 GLU C C 84 177.100 178.630 -1.530 1 1 998 . 5 1 1 A 104 104 GLU CA C 84 57.220 59.176 -1.956 1 1 999 . 5 1 1 A 104 104 GLU CB C 84 30.320 28.833 1.487 1 1 1001 . 5 1 1 A 104 104 GLU N N 84 121.670 125.379 -3.709 1 1 1002 . 5 1 1 A 105 105 GLY H H 85 8.450 7.884 0.566 1 1 1005 . 5 1 1 A 105 105 GLY C C 85 174.000 177.877 -3.877 1 1 1006 . 5 1 1 A 105 105 GLY CA C 85 45.410 56.561 -11.151 1 1 1007 . 5 1 1 A 105 105 GLY N N 85 109.870 120.737 -10.867 1 1 1008 . 5 1 1 A 106 106 VAL H H 86 7.900 8.179 -0.279 1 1 1009 . 5 1 1 A 106 106 VAL HA H 86 4.190 4.482 -0.292 1 1 1017 . 5 1 1 A 106 106 VAL C C 86 176.300 176.093 0.207 1 1 1018 . 5 1 1 A 106 106 VAL CA C 86 62.190 63.520 -1.330 1 1 1019 . 5 1 1 A 106 106 VAL CB C 86 32.860 69.368 -36.508 1 1 1022 . 5 1 1 A 106 106 VAL N N 86 119.330 112.619 6.711 1 1 1023 . 5 1 1 A 107 107 THR H H 87 8.320 8.362 -0.042 1 1 1024 . 5 1 1 A 107 107 THR HA H 87 4.350 4.294 0.056 1 1 1029 . 5 1 1 A 107 107 THR C C 87 174.050 177.703 -3.653 1 1 1030 . 5 1 1 A 107 107 THR CA C 87 61.870 57.770 4.100 1 1 1031 . 5 1 1 A 107 107 THR CB C 87 69.910 29.414 40.496 1 1 1033 . 5 1 1 A 107 107 THR N N 87 119.480 122.745 -3.265 1 1 1034 . 5 1 1 A 108 108 ILE H H 88 8.360 8.560 -0.200 1 1 1035 . 5 1 1 A 108 108 ILE HA H 88 4.470 4.212 0.258 1 1 1045 . 5 1 1 A 108 108 ILE CA C 88 58.410 59.224 -0.814 1 1 1046 . 5 1 1 A 108 108 ILE CB C 88 38.530 28.907 9.623 1 1 1050 . 5 1 1 A 108 108 ILE N N 88 126.140 120.344 5.796 1 1 1051 . 5 1 1 A 109 109 PRO HA H 89 4.380 4.150 0.230 1 1 1058 . 5 1 1 A 109 109 PRO C C 89 176.290 177.326 -1.036 1 1 1059 . 5 1 1 A 109 109 PRO CA C 89 63.210 61.240 1.970 1 1 1060 . 5 1 1 A 109 109 PRO CB C 89 32.220 63.140 -30.920 1 1 1063 . 5 1 1 A 110 110 ASP H H 90 8.370 8.528 -0.158 1 1 1064 . 5 1 1 A 110 110 ASP HA H 90 4.580 4.681 -0.101 1 1 1067 . 5 1 1 A 110 110 ASP C C 90 176.200 178.786 -2.586 1 1 1068 . 5 1 1 A 110 110 ASP CA C 90 54.290 58.249 -3.959 1 1 1069 . 5 1 1 A 110 110 ASP CB C 90 41.120 31.642 9.478 1 1 1070 . 5 1 1 A 110 110 ASP N N 90 120.470 119.667 0.803 1 1 1071 . 5 1 1 A 111 111 LEU H H 91 8.250 8.431 -0.181 1 1 1072 . 5 1 1 A 111 111 LEU HA H 91 4.370 4.288 0.082 1 1 1081 . 5 1 1 A 111 111 LEU C C 91 177.040 177.661 -0.621 1 1 1082 . 5 1 1 A 111 111 LEU CA C 91 55.060 59.403 -4.343 1 1 1083 . 5 1 1 A 111 111 LEU CB C 91 42.290 29.352 12.938 1 1 1086 . 5 1 1 A 111 111 LEU N N 91 123.570 120.876 2.694 1 1 1087 . 5 1 1 A 112 112 GLY H H 92 8.080 7.945 0.135 1 1 1090 . 5 1 1 A 112 112 GLY CA C 92 46.190 54.733 -8.543 1 1 246 . 6 1 1 A 42 42 THR H H 22 8.820 7.642 1.178 1 1 247 . 6 1 1 A 42 42 THR HA H 22 4.800 4.416 0.384 1 1 252 . 6 1 1 A 42 42 THR C C 22 170.950 175.651 -4.701 1 1 253 . 6 1 1 A 42 42 THR CA C 22 60.870 56.304 4.566 1 1 254 . 6 1 1 A 42 42 THR CB C 22 71.510 32.925 38.585 1 1 256 . 6 1 1 A 42 42 THR N N 22 116.000 116.533 -0.533 1 1 257 . 6 1 1 A 43 43 VAL H H 23 8.140 8.617 -0.477 1 1 258 . 6 1 1 A 43 43 VAL HA H 23 4.830 4.844 -0.014 1 1 266 . 6 1 1 A 43 43 VAL C C 23 176.470 173.710 2.760 1 1 267 . 6 1 1 A 43 43 VAL CA C 23 61.540 59.586 1.954 1 1 268 . 6 1 1 A 43 43 VAL CB C 23 32.270 35.864 -3.594 1 1 271 . 6 1 1 A 43 43 VAL N N 23 125.850 120.435 5.415 1 1 272 . 6 1 1 A 44 44 ILE H H 24 9.350 8.673 0.677 1 1 273 . 6 1 1 A 44 44 ILE HA H 24 4.220 4.793 -0.573 1 1 283 . 6 1 1 A 44 44 ILE C C 24 176.050 173.972 2.078 1 1 284 . 6 1 1 A 44 44 ILE CA C 24 60.880 62.198 -1.318 1 1 285 . 6 1 1 A 44 44 ILE CB C 24 40.830 69.526 -28.696 1 1 289 . 6 1 1 A 44 44 ILE N N 24 128.460 122.347 6.113 1 1 290 . 6 1 1 A 45 45 ASP H H 25 9.450 8.965 0.485 1 1 291 . 6 1 1 A 45 45 ASP HA H 25 4.320 4.808 -0.488 1 1 294 . 6 1 1 A 45 45 ASP C C 25 176.060 176.285 -0.225 1 1 295 . 6 1 1 A 45 45 ASP CA C 25 55.170 54.308 0.862 1 1 296 . 6 1 1 A 45 45 ASP CB C 25 39.870 41.105 -1.235 1 1 297 . 6 1 1 A 45 45 ASP N N 25 129.730 128.582 1.148 1 1 298 . 6 1 1 A 46 46 GLY H H 26 8.360 8.894 -0.534 1 1 301 . 6 1 1 A 46 46 GLY C C 26 173.150 176.288 -3.138 1 1 302 . 6 1 1 A 46 46 GLY CA C 26 46.190 62.230 -16.040 1 1 303 . 6 1 1 A 46 46 GLY N N 26 102.380 125.339 -22.959 1 1 304 . 6 1 1 A 47 47 LYS H H 27 8.000 8.802 -0.802 1 1 305 . 6 1 1 A 47 47 LYS HA H 27 4.780 4.598 0.182 1 1 314 . 6 1 1 A 47 47 LYS C C 27 177.050 176.667 0.383 1 1 315 . 6 1 1 A 47 47 LYS CA C 27 54.870 55.606 -0.736 1 1 316 . 6 1 1 A 47 47 LYS CB C 27 36.020 31.422 4.598 1 1 320 . 6 1 1 A 47 47 LYS N N 27 121.330 127.547 -6.217 1 1 321 . 6 1 1 A 48 48 VAL H H 28 8.160 8.722 -0.562 1 1 322 . 6 1 1 A 48 48 VAL HA H 28 4.450 4.160 0.290 1 1 330 . 6 1 1 A 48 48 VAL C C 28 174.640 177.754 -3.114 1 1 331 . 6 1 1 A 48 48 VAL CA C 28 60.800 64.279 -3.479 1 1 332 . 6 1 1 A 48 48 VAL CB C 28 32.310 37.718 -5.408 1 1 335 . 6 1 1 A 48 48 VAL N N 28 119.880 120.850 -0.970 1 1 336 . 6 1 1 A 49 49 TYR H H 29 9.130 8.075 1.055 1 1 337 . 6 1 1 A 49 49 TYR HA H 29 5.200 4.117 1.083 1 1 344 . 6 1 1 A 49 49 TYR C C 29 174.540 179.675 -5.135 1 1 345 . 6 1 1 A 49 49 TYR CA C 29 56.640 55.271 1.369 1 1 346 . 6 1 1 A 49 49 TYR CB C 29 43.420 18.127 25.293 1 1 349 . 6 1 1 A 49 49 TYR N N 29 124.890 123.511 1.379 1 1 350 . 6 1 1 A 50 50 ASP H H 30 9.000 8.148 0.852 1 1 351 . 6 1 1 A 50 50 ASP HA H 30 5.330 4.357 0.973 1 1 354 . 6 1 1 A 50 50 ASP C C 30 176.020 178.589 -2.569 1 1 355 . 6 1 1 A 50 50 ASP CA C 30 53.180 57.711 -4.531 1 1 356 . 6 1 1 A 50 50 ASP CB C 30 40.910 41.642 -0.732 1 1 357 . 6 1 1 A 50 50 ASP N N 30 119.790 118.591 1.199 1 1 358 . 6 1 1 A 51 51 ILE H H 31 8.700 7.766 0.934 1 1 359 . 6 1 1 A 51 51 ILE HA H 31 3.710 3.851 -0.141 1 1 369 . 6 1 1 A 51 51 ILE C C 31 178.070 179.439 -1.369 1 1 370 . 6 1 1 A 51 51 ILE CA C 31 60.750 58.020 2.730 1 1 371 . 6 1 1 A 51 51 ILE CB C 31 35.230 41.525 -6.295 1 1 375 . 6 1 1 A 51 51 ILE N N 31 125.270 119.646 5.624 1 1 376 . 6 1 1 A 52 52 LYS H H 32 8.030 7.824 0.206 1 1 377 . 6 1 1 A 52 52 LYS HA H 32 4.340 3.930 0.410 1 1 386 . 6 1 1 A 52 52 LYS C C 32 179.540 179.320 0.220 1 1 387 . 6 1 1 A 52 52 LYS CA C 32 59.380 59.747 -0.367 1 1 388 . 6 1 1 A 52 52 LYS CB C 32 31.930 29.360 2.570 1 1 392 . 6 1 1 A 52 52 LYS N N 32 120.520 117.715 2.805 1 1 393 . 6 1 1 A 53 53 ASP H H 33 7.810 7.919 -0.109 1 1 394 . 6 1 1 A 53 53 ASP HA H 33 4.620 4.431 0.189 1 1 397 . 6 1 1 A 53 53 ASP C C 33 177.670 178.553 -0.883 1 1 398 . 6 1 1 A 53 53 ASP CA C 33 56.840 56.227 0.613 1 1 399 . 6 1 1 A 53 53 ASP CB C 33 41.220 38.103 3.117 1 1 400 . 6 1 1 A 53 53 ASP N N 33 120.590 118.321 2.269 1 1 401 . 6 1 1 A 54 54 PHE H H 34 7.660 7.789 -0.129 1 1 402 . 6 1 1 A 54 54 PHE HA H 34 3.100 4.022 -0.922 1 1 410 . 6 1 1 A 54 54 PHE C C 34 176.960 177.802 -0.842 1 1 411 . 6 1 1 A 54 54 PHE CA C 34 60.670 59.639 1.031 1 1 412 . 6 1 1 A 54 54 PHE CB C 34 38.870 29.523 9.347 1 1 416 . 6 1 1 A 54 54 PHE N N 34 120.480 118.442 2.038 1 1 417 . 6 1 1 A 55 55 GLN H H 35 8.860 8.212 0.648 1 1 418 . 6 1 1 A 55 55 GLN HA H 35 3.660 4.252 -0.592 1 1 425 . 6 1 1 A 55 55 GLN C C 35 178.510 177.704 0.806 1 1 426 . 6 1 1 A 55 55 GLN CA C 35 58.980 56.891 2.089 1 1 427 . 6 1 1 A 55 55 GLN CB C 35 29.450 39.539 -10.089 1 1 429 . 6 1 1 A 55 55 GLN N N 35 119.060 118.531 0.529 1 1 431 . 6 1 1 A 56 56 THR H H 36 8.150 8.173 -0.023 1 1 432 . 6 1 1 A 56 56 THR HA H 36 3.930 4.447 -0.517 1 1 437 . 6 1 1 A 56 56 THR C C 36 176.550 177.001 -0.451 1 1 438 . 6 1 1 A 56 56 THR CA C 36 66.070 56.400 9.670 1 1 439 . 6 1 1 A 56 56 THR CB C 36 69.030 38.796 30.234 1 1 441 . 6 1 1 A 56 56 THR N N 36 115.130 117.728 -2.598 1 1 442 . 6 1 1 A 57 57 GLN H H 37 8.230 7.585 0.645 1 1 443 . 6 1 1 A 57 57 GLN HA H 37 4.210 4.600 -0.390 1 1 450 . 6 1 1 A 57 57 GLN CA C 37 58.050 54.426 3.624 1 1 451 . 6 1 1 A 57 57 GLN CB C 37 28.290 41.163 -12.873 1 1 453 . 6 1 1 A 57 57 GLN N N 37 119.670 116.463 3.207 1 1 458 . 6 1 1 A 58 58 SER C C 38 174.020 175.153 -1.133 1 1 459 . 6 1 1 A 58 58 SER CA C 38 60.500 44.980 15.520 1 1 461 . 6 1 1 A 59 59 LEU H H 39 7.320 7.853 -0.533 1 1 465 . 6 1 1 A 59 59 LEU CA C 39 55.140 46.610 8.530 1 1 467 . 6 1 1 A 59 59 LEU N N 39 120.250 107.849 12.401 1 1 468 . 6 1 1 A 60 60 THR H H 40 7.510 8.786 -1.276 1 1 469 . 6 1 1 A 60 60 THR HA H 40 4.250 4.794 -0.544 1 1 474 . 6 1 1 A 60 60 THR C C 40 174.900 174.623 0.277 1 1 475 . 6 1 1 A 60 60 THR CA C 40 62.320 56.855 5.465 1 1 476 . 6 1 1 A 60 60 THR CB C 40 70.110 39.096 31.014 1 1 478 . 6 1 1 A 60 60 THR N N 40 112.820 125.788 -12.968 1 1 479 . 6 1 1 A 61 61 GLU H H 41 8.510 9.028 -0.518 1 1 480 . 6 1 1 A 61 61 GLU HA H 41 4.100 5.493 -1.393 1 1 485 . 6 1 1 A 61 61 GLU C C 41 176.720 175.432 1.288 1 1 486 . 6 1 1 A 61 61 GLU CA C 41 57.840 56.171 1.669 1 1 487 . 6 1 1 A 61 61 GLU CB C 41 29.840 32.517 -2.677 1 1 489 . 6 1 1 A 61 61 GLU N N 41 123.410 127.767 -4.357 1 1 490 . 6 1 1 A 62 62 ASN H H 42 8.600 8.661 -0.061 1 1 491 . 6 1 1 A 62 62 ASN HA H 42 4.580 4.982 -0.402 1 1 496 . 6 1 1 A 62 62 ASN C C 42 174.940 172.441 2.499 1 1 497 . 6 1 1 A 62 62 ASN CA C 42 53.760 60.019 -6.259 1 1 498 . 6 1 1 A 62 62 ASN CB C 42 38.130 71.859 -33.729 1 1 499 . 6 1 1 A 62 62 ASN N N 42 117.760 115.016 2.744 1 1 501 . 6 1 1 A 63 63 SER H H 43 7.800 8.737 -0.937 1 1 502 . 6 1 1 A 63 63 SER HA H 43 4.400 4.720 -0.320 1 1 505 . 6 1 1 A 63 63 SER C C 43 177.320 174.717 2.603 1 1 506 . 6 1 1 A 63 63 SER CA C 43 58.730 60.813 -2.083 1 1 507 . 6 1 1 A 63 63 SER CB C 43 64.210 32.946 31.264 1 1 508 . 6 1 1 A 63 63 SER N N 43 114.610 126.944 -12.334 1 1 509 . 6 1 1 A 64 64 ILE H H 44 8.710 8.924 -0.214 1 1 510 . 6 1 1 A 64 64 ILE HA H 44 4.180 4.537 -0.357 1 1 520 . 6 1 1 A 64 64 ILE C C 44 176.550 175.933 0.617 1 1 521 . 6 1 1 A 64 64 ILE CA C 44 63.280 60.363 2.917 1 1 522 . 6 1 1 A 64 64 ILE CB C 44 38.110 39.811 -1.701 1 1 526 . 6 1 1 A 64 64 ILE N N 44 125.240 127.705 -2.465 1 1 527 . 6 1 1 A 65 65 LEU H H 45 8.160 9.388 -1.228 1 1 528 . 6 1 1 A 65 65 LEU HA H 45 4.450 4.272 0.178 1 1 538 . 6 1 1 A 65 65 LEU C C 45 177.800 175.382 2.418 1 1 539 . 6 1 1 A 65 65 LEU CA C 45 54.820 55.077 -0.257 1 1 540 . 6 1 1 A 65 65 LEU CB C 45 41.790 39.911 1.879 1 1 544 . 6 1 1 A 65 65 LEU N N 45 118.980 128.211 -9.231 1 1 545 . 6 1 1 A 66 66 ALA H H 46 7.700 8.639 -0.939 1 1 550 . 6 1 1 A 66 66 ALA C C 46 179.870 173.753 6.117 1 1 551 . 6 1 1 A 66 66 ALA CA C 46 54.980 45.566 9.414 1 1 553 . 6 1 1 A 66 66 ALA N N 46 122.830 104.836 17.994 1 1 554 . 6 1 1 A 67 67 GLN H H 47 7.920 7.601 0.319 1 1 555 . 6 1 1 A 67 67 GLN HA H 47 4.110 4.515 -0.405 1 1 562 . 6 1 1 A 67 67 GLN C C 47 175.990 175.196 0.794 1 1 563 . 6 1 1 A 67 67 GLN CA C 47 57.170 54.510 2.660 1 1 564 . 6 1 1 A 67 67 GLN CB C 47 28.180 34.844 -6.664 1 1 566 . 6 1 1 A 67 67 GLN N N 47 115.030 121.067 -6.037 1 1 568 . 6 1 1 A 68 68 PHE H H 48 7.790 8.549 -0.759 1 1 569 . 6 1 1 A 68 68 PHE HA H 48 4.690 4.708 -0.018 1 1 576 . 6 1 1 A 68 68 PHE C C 48 175.620 174.283 1.337 1 1 577 . 6 1 1 A 68 68 PHE CA C 48 57.220 61.038 -3.818 1 1 578 . 6 1 1 A 68 68 PHE CB C 48 39.320 32.340 6.980 1 1 581 . 6 1 1 A 68 68 PHE N N 48 118.560 124.167 -5.607 1 1 582 . 6 1 1 A 69 69 ALA H H 49 7.600 8.895 -1.295 1 1 583 . 6 1 1 A 69 69 ALA HA H 49 4.120 5.325 -1.205 1 1 587 . 6 1 1 A 69 69 ALA C C 49 178.250 174.838 3.412 1 1 588 . 6 1 1 A 69 69 ALA CA C 49 53.920 55.979 -2.059 1 1 589 . 6 1 1 A 69 69 ALA CB C 49 18.660 43.326 -24.666 1 1 590 . 6 1 1 A 69 69 ALA N N 49 123.340 126.457 -3.117 1 1 591 . 6 1 1 A 70 70 GLY H H 50 8.500 8.781 -0.281 1 1 594 . 6 1 1 A 70 70 GLY C C 50 174.070 176.096 -2.026 1 1 595 . 6 1 1 A 70 70 GLY CA C 50 45.390 52.903 -7.513 1 1 596 . 6 1 1 A 70 70 GLY N N 50 108.770 120.848 -12.078 1 1 597 . 6 1 1 A 71 71 GLU H H 51 7.800 8.676 -0.876 1 1 598 . 6 1 1 A 71 71 GLU HA H 51 4.430 4.202 0.228 1 1 603 . 6 1 1 A 71 71 GLU C C 51 176.220 177.582 -1.362 1 1 604 . 6 1 1 A 71 71 GLU CA C 51 55.430 61.881 -6.451 1 1 605 . 6 1 1 A 71 71 GLU CB C 51 30.980 39.177 -8.197 1 1 607 . 6 1 1 A 71 71 GLU N N 51 119.390 119.661 -0.271 1 1 608 . 6 1 1 A 72 72 ASP H H 52 8.830 8.447 0.383 1 1 609 . 6 1 1 A 72 72 ASP HA H 52 4.850 4.118 0.732 1 1 612 . 6 1 1 A 72 72 ASP CA C 52 52.110 59.257 -7.147 1 1 613 . 6 1 1 A 72 72 ASP CB C 52 42.070 32.333 9.737 1 1 614 . 6 1 1 A 72 72 ASP N N 52 123.830 122.005 1.825 1 1 615 . 6 1 1 A 73 73 PRO HA H 53 4.410 4.505 -0.095 1 1 622 . 6 1 1 A 73 73 PRO C C 53 177.290 178.632 -1.342 1 1 623 . 6 1 1 A 73 73 PRO CA C 53 64.940 57.298 7.642 1 1 624 . 6 1 1 A 73 73 PRO CB C 53 32.130 40.690 -8.560 1 1 627 . 6 1 1 A 74 74 VAL H H 54 7.950 8.206 -0.256 1 1 628 . 6 1 1 A 74 74 VAL HA H 54 3.360 3.751 -0.391 1 1 636 . 6 1 1 A 74 74 VAL C C 54 177.540 177.715 -0.175 1 1 637 . 6 1 1 A 74 74 VAL CA C 54 66.820 61.889 4.931 1 1 638 . 6 1 1 A 74 74 VAL CB C 54 31.310 38.859 -7.549 1 1 641 . 6 1 1 A 74 74 VAL N N 54 118.670 120.577 -1.907 1 1 642 . 6 1 1 A 75 75 VAL H H 55 7.090 8.474 -1.384 1 1 643 . 6 1 1 A 75 75 VAL HA H 55 3.620 4.070 -0.450 1 1 651 . 6 1 1 A 75 75 VAL C C 55 175.050 177.797 -2.747 1 1 652 . 6 1 1 A 75 75 VAL CA C 55 65.440 58.540 6.900 1 1 653 . 6 1 1 A 75 75 VAL CB C 55 32.210 27.607 4.603 1 1 656 . 6 1 1 A 75 75 VAL N N 55 120.340 117.526 2.814 1 1 657 . 6 1 1 A 76 76 ALA H H 56 8.050 7.443 0.607 1 1 658 . 6 1 1 A 76 76 ALA HA H 56 3.870 4.031 -0.161 1 1 662 . 6 1 1 A 76 76 ALA C C 56 178.160 177.049 1.111 1 1 663 . 6 1 1 A 76 76 ALA CA C 56 54.840 66.582 -11.742 1 1 664 . 6 1 1 A 76 76 ALA CB C 56 19.250 68.331 -49.081 1 1 665 . 6 1 1 A 76 76 ALA N N 56 121.910 118.626 3.284 1 1 666 . 6 1 1 A 77 77 LEU H H 57 7.720 7.675 0.045 1 1 667 . 6 1 1 A 77 77 LEU HA H 57 3.170 4.241 -1.071 1 1 677 . 6 1 1 A 77 77 LEU C C 57 178.010 178.364 -0.354 1 1 678 . 6 1 1 A 77 77 LEU CA C 57 58.260 58.129 0.131 1 1 679 . 6 1 1 A 77 77 LEU CB C 57 39.970 27.651 12.319 1 1 683 . 6 1 1 A 77 77 LEU N N 57 120.030 120.416 -0.386 1 1 684 . 6 1 1 A 78 78 GLU H H 58 7.840 7.624 0.216 1 1 685 . 6 1 1 A 78 78 GLU HA H 58 3.510 4.236 -0.726 1 1 690 . 6 1 1 A 78 78 GLU C C 58 179.140 176.102 3.038 1 1 691 . 6 1 1 A 78 78 GLU CA C 58 60.290 61.391 -1.101 1 1 692 . 6 1 1 A 78 78 GLU CB C 58 29.420 63.143 -33.723 1 1 694 . 6 1 1 A 78 78 GLU N N 58 116.990 118.441 -1.451 1 1 695 . 6 1 1 A 79 79 ALA H H 59 7.710 7.932 -0.222 1 1 696 . 6 1 1 A 79 79 ALA HA H 59 3.940 4.141 -0.201 1 1 700 . 6 1 1 A 79 79 ALA C C 59 180.360 177.003 3.357 1 1 701 . 6 1 1 A 79 79 ALA CA C 59 54.790 57.347 -2.557 1 1 702 . 6 1 1 A 79 79 ALA CB C 59 17.930 41.450 -23.520 1 1 703 . 6 1 1 A 79 79 ALA N N 59 120.690 121.990 -1.300 1 1 704 . 6 1 1 A 80 80 ALA H H 60 8.220 7.539 0.681 1 1 705 . 6 1 1 A 80 80 ALA HA H 60 3.970 4.406 -0.436 1 1 709 . 6 1 1 A 80 80 ALA C C 60 180.570 175.000 5.570 1 1 710 . 6 1 1 A 80 80 ALA CA C 60 54.160 62.807 -8.647 1 1 711 . 6 1 1 A 80 80 ALA CB C 60 18.830 68.999 -50.169 1 1 712 . 6 1 1 A 80 80 ALA N N 60 122.230 112.953 9.277 1 1 713 . 6 1 1 A 81 81 LEU H H 61 7.800 8.944 -1.144 1 1 714 . 6 1 1 A 81 81 LEU HA H 61 3.890 4.030 -0.140 1 1 724 . 6 1 1 A 81 81 LEU C C 61 177.590 177.359 0.231 1 1 725 . 6 1 1 A 81 81 LEU CA C 61 56.650 59.474 -2.824 1 1 726 . 6 1 1 A 81 81 LEU CB C 61 42.630 29.580 13.050 1 1 730 . 6 1 1 A 81 81 LEU N N 61 116.150 127.825 -11.675 1 1 731 . 6 1 1 A 82 82 GLN H H 62 7.450 7.587 -0.137 1 1 732 . 6 1 1 A 82 82 GLN HA H 62 4.250 4.840 -0.590 1 1 739 . 6 1 1 A 82 82 GLN C C 62 176.120 173.650 2.470 1 1 740 . 6 1 1 A 82 82 GLN CA C 62 55.880 51.987 3.893 1 1 741 . 6 1 1 A 82 82 GLN CB C 62 29.330 36.936 -7.606 1 1 743 . 6 1 1 A 82 82 GLN N N 62 115.740 117.689 -1.949 1 1 745 . 6 1 1 A 83 83 PHE H H 63 7.300 7.511 -0.211 1 1 746 . 6 1 1 A 83 83 PHE HA H 63 4.900 4.968 -0.068 1 1 753 . 6 1 1 A 83 83 PHE C C 63 176.470 174.708 1.762 1 1 754 . 6 1 1 A 83 83 PHE CA C 63 56.260 57.458 -1.198 1 1 755 . 6 1 1 A 83 83 PHE CB C 63 39.000 67.234 -28.234 1 1 758 . 6 1 1 A 83 83 PHE N N 63 120.420 118.501 1.919 1 1 759 . 6 1 1 A 84 84 GLU H H 64 9.090 8.658 0.432 1 1 760 . 6 1 1 A 84 84 GLU HA H 64 3.850 3.831 0.019 1 1 765 . 6 1 1 A 84 84 GLU C C 64 178.010 176.852 1.158 1 1 766 . 6 1 1 A 84 84 GLU CA C 64 59.910 64.144 -4.234 1 1 767 . 6 1 1 A 84 84 GLU CB C 64 29.640 37.851 -8.211 1 1 769 . 6 1 1 A 84 84 GLU N N 64 126.260 124.346 1.914 1 1 770 . 6 1 1 A 85 85 ASP H H 65 7.670 7.912 -0.242 1 1 771 . 6 1 1 A 85 85 ASP HA H 65 4.480 4.617 -0.137 1 1 774 . 6 1 1 A 85 85 ASP C C 65 177.530 178.369 -0.839 1 1 775 . 6 1 1 A 85 85 ASP CA C 65 56.290 55.635 0.655 1 1 776 . 6 1 1 A 85 85 ASP CB C 65 40.480 41.459 -0.979 1 1 777 . 6 1 1 A 85 85 ASP N N 65 114.070 121.525 -7.455 1 1 778 . 6 1 1 A 86 86 THR H H 66 7.560 7.412 0.148 1 1 779 . 6 1 1 A 86 86 THR HA H 66 4.530 4.125 0.405 1 1 784 . 6 1 1 A 86 86 THR C C 66 176.820 179.098 -2.278 1 1 785 . 6 1 1 A 86 86 THR CA C 66 62.380 54.858 7.522 1 1 786 . 6 1 1 A 86 86 THR CB C 66 70.200 18.170 52.030 1 1 788 . 6 1 1 A 86 86 THR N N 66 106.640 122.257 -15.617 1 1 789 . 6 1 1 A 87 87 ARG H H 67 8.100 8.339 -0.239 1 1 790 . 6 1 1 A 87 87 ARG HA H 67 4.020 4.051 -0.031 1 1 797 . 6 1 1 A 87 87 ARG C C 67 178.760 175.942 2.818 1 1 798 . 6 1 1 A 87 87 ARG CA C 67 61.140 56.792 4.348 1 1 799 . 6 1 1 A 87 87 ARG CB C 67 30.220 27.437 2.783 1 1 802 . 6 1 1 A 87 87 ARG N N 67 124.220 115.203 9.017 1 1 803 . 6 1 1 A 88 88 GLU H H 68 8.790 8.045 0.745 1 1 804 . 6 1 1 A 88 88 GLU HA H 68 4.090 4.760 -0.670 1 1 809 . 6 1 1 A 88 88 GLU C C 68 179.320 175.641 3.679 1 1 810 . 6 1 1 A 88 88 GLU CA C 68 59.150 57.063 2.087 1 1 811 . 6 1 1 A 88 88 GLU CB C 68 28.930 39.172 -10.242 1 1 813 . 6 1 1 A 88 88 GLU N N 68 118.790 118.024 0.766 1 1 814 . 6 1 1 A 89 89 SER H H 69 8.140 7.478 0.662 1 1 815 . 6 1 1 A 89 89 SER HA H 69 4.390 4.111 0.279 1 1 818 . 6 1 1 A 89 89 SER C C 69 176.100 178.435 -2.335 1 1 819 . 6 1 1 A 89 89 SER CA C 69 61.000 53.898 7.102 1 1 820 . 6 1 1 A 89 89 SER CB C 69 63.190 18.284 44.906 1 1 821 . 6 1 1 A 89 89 SER N N 69 115.570 123.269 -7.699 1 1 822 . 6 1 1 A 90 90 MET H H 70 7.690 8.936 -1.246 1 1 831 . 6 1 1 A 90 90 MET C C 70 177.990 174.326 3.664 1 1 832 . 6 1 1 A 90 90 MET CA C 70 55.140 45.154 9.986 1 1 836 . 6 1 1 A 90 90 MET N N 70 118.160 110.862 7.298 1 1 837 . 6 1 1 A 91 91 HIS H H 71 7.740 7.638 0.102 1 1 838 . 6 1 1 A 91 91 HIS HA H 71 4.430 4.421 0.009 1 1 842 . 6 1 1 A 91 91 HIS C C 71 177.460 175.537 1.923 1 1 843 . 6 1 1 A 91 91 HIS CA C 71 58.830 56.039 2.791 1 1 844 . 6 1 1 A 91 91 HIS CB C 71 29.680 31.054 -1.374 1 1 846 . 6 1 1 A 91 91 HIS N N 71 118.990 122.030 -3.040 1 1 847 . 6 1 1 A 92 92 ALA H H 72 7.230 8.460 -1.230 1 1 848 . 6 1 1 A 92 92 ALA HA H 72 3.900 4.719 -0.819 1 1 852 . 6 1 1 A 92 92 ALA C C 72 177.850 176.501 1.349 1 1 853 . 6 1 1 A 92 92 ALA CA C 72 53.840 52.133 1.707 1 1 854 . 6 1 1 A 92 92 ALA CB C 72 18.250 42.029 -23.779 1 1 855 . 6 1 1 A 92 92 ALA N N 72 120.170 125.777 -5.607 1 1 857 . 6 1 1 A 93 93 PHE HA H 73 4.970 4.559 0.411 1 1 865 . 6 1 1 A 93 93 PHE C C 73 174.000 178.076 -4.076 1 1 866 . 6 1 1 A 93 93 PHE CA C 73 56.420 64.524 -8.104 1 1 867 . 6 1 1 A 93 93 PHE CB C 73 39.050 32.170 6.880 1 1 871 . 6 1 1 A 93 93 PHE N N 73 113.910 142.135 -28.225 1 1 872 . 6 1 1 A 94 94 CYS H H 74 7.690 6.729 0.961 1 1 873 . 6 1 1 A 94 94 CYS HA H 74 4.120 3.569 0.551 1 1 876 . 6 1 1 A 94 94 CYS C C 74 174.900 178.010 -3.110 1 1 877 . 6 1 1 A 94 94 CYS CA C 74 58.200 65.129 -6.929 1 1 878 . 6 1 1 A 94 94 CYS CB C 74 27.320 31.564 -4.244 1 1 879 . 6 1 1 A 94 94 CYS N N 74 121.190 116.588 4.602 1 1 880 . 6 1 1 A 95 95 VAL H H 75 8.770 8.025 0.745 1 1 881 . 6 1 1 A 95 95 VAL HA H 75 3.820 3.568 0.252 1 1 889 . 6 1 1 A 95 95 VAL C C 75 175.640 178.201 -2.561 1 1 890 . 6 1 1 A 95 95 VAL CA C 75 62.250 66.179 -3.929 1 1 891 . 6 1 1 A 95 95 VAL CB C 75 32.280 31.365 0.915 1 1 894 . 6 1 1 A 95 95 VAL N N 75 128.310 120.383 7.927 1 1 895 . 6 1 1 A 96 96 GLY H H 76 7.130 8.047 -0.917 1 1 898 . 6 1 1 A 96 96 GLY C C 76 171.220 179.544 -8.324 1 1 899 . 6 1 1 A 96 96 GLY CA C 76 44.940 54.985 -10.045 1 1 900 . 6 1 1 A 96 96 GLY N N 76 105.330 121.580 -16.250 1 1 901 . 6 1 1 A 97 97 GLN H H 77 8.590 7.610 0.980 1 1 902 . 6 1 1 A 97 97 GLN HA H 77 4.460 3.844 0.616 1 1 909 . 6 1 1 A 97 97 GLN C C 77 174.070 178.622 -4.552 1 1 910 . 6 1 1 A 97 97 GLN CA C 77 54.860 57.071 -2.211 1 1 911 . 6 1 1 A 97 97 GLN CB C 77 30.820 41.216 -10.396 1 1 913 . 6 1 1 A 97 97 GLN N N 77 120.500 120.238 0.262 1 1 915 . 6 1 1 A 98 98 TYR H H 78 8.440 8.263 0.177 1 1 916 . 6 1 1 A 98 98 TYR HA H 78 4.960 3.924 1.036 1 1 923 . 6 1 1 A 98 98 TYR C C 78 174.460 179.320 -4.860 1 1 924 . 6 1 1 A 98 98 TYR CA C 78 56.660 59.157 -2.497 1 1 925 . 6 1 1 A 98 98 TYR CB C 78 40.450 29.508 10.942 1 1 928 . 6 1 1 A 98 98 TYR N N 78 125.460 118.485 6.975 1 1 929 . 6 1 1 A 99 99 LEU H H 79 8.100 8.065 0.035 1 1 930 . 6 1 1 A 99 99 LEU HA H 79 4.360 4.092 0.268 1 1 940 . 6 1 1 A 99 99 LEU C C 79 173.790 180.223 -6.433 1 1 941 . 6 1 1 A 99 99 LEU CA C 79 53.110 54.827 -1.717 1 1 942 . 6 1 1 A 99 99 LEU CB C 79 43.200 18.091 25.109 1 1 946 . 6 1 1 A 99 99 LEU N N 79 131.670 123.450 8.220 1 1 947 . 6 1 1 A 100 100 GLU H H 80 8.160 7.511 0.649 1 1 948 . 6 1 1 A 100 100 GLU HA H 80 4.140 4.568 -0.428 1 1 953 . 6 1 1 A 100 100 GLU CA C 80 54.540 54.814 -0.274 1 1 954 . 6 1 1 A 100 100 GLU CB C 80 29.270 18.038 11.232 1 1 956 . 6 1 1 A 100 100 GLU N N 80 125.120 120.677 4.443 1 1 957 . 6 1 1 A 101 101 PRO HA H 81 4.380 3.968 0.412 1 1 964 . 6 1 1 A 101 101 PRO C C 81 177.370 177.922 -0.552 1 1 965 . 6 1 1 A 101 101 PRO CA C 81 64.050 57.627 6.423 1 1 966 . 6 1 1 A 101 101 PRO CB C 81 32.130 41.350 -9.220 1 1 969 . 6 1 1 A 102 102 ASP H H 82 8.430 7.410 1.020 1 1 970 . 6 1 1 A 102 102 ASP HA H 82 4.550 4.397 0.153 1 1 973 . 6 1 1 A 102 102 ASP C C 82 176.950 174.957 1.993 1 1 974 . 6 1 1 A 102 102 ASP CA C 82 54.680 55.884 -1.204 1 1 975 . 6 1 1 A 102 102 ASP CB C 82 40.630 29.449 11.181 1 1 976 . 6 1 1 A 102 102 ASP N N 82 118.470 115.392 3.078 1 1 977 . 6 1 1 A 103 103 GLN H H 83 8.230 7.426 0.804 1 1 978 . 6 1 1 A 103 103 GLN HA H 83 4.340 4.859 -0.519 1 1 985 . 6 1 1 A 103 103 GLN C C 83 176.210 176.378 -0.168 1 1 986 . 6 1 1 A 103 103 GLN CA C 83 55.640 57.251 -1.611 1 1 987 . 6 1 1 A 103 103 GLN CB C 83 29.630 41.986 -12.356 1 1 989 . 6 1 1 A 103 103 GLN N N 83 119.650 120.507 -0.857 1 1 991 . 6 1 1 A 104 104 GLU H H 84 8.250 8.664 -0.414 1 1 992 . 6 1 1 A 104 104 GLU HA H 84 4.220 4.018 0.202 1 1 997 . 6 1 1 A 104 104 GLU C C 84 177.100 177.830 -0.730 1 1 998 . 6 1 1 A 104 104 GLU CA C 84 57.220 59.017 -1.797 1 1 999 . 6 1 1 A 104 104 GLU CB C 84 30.320 28.773 1.547 1 1 1001 . 6 1 1 A 104 104 GLU N N 84 121.670 126.127 -4.457 1 1 1002 . 6 1 1 A 105 105 GLY H H 85 8.450 7.282 1.168 1 1 1005 . 6 1 1 A 105 105 GLY C C 85 174.000 178.033 -4.033 1 1 1006 . 6 1 1 A 105 105 GLY CA C 85 45.410 56.620 -11.210 1 1 1007 . 6 1 1 A 105 105 GLY N N 85 109.870 119.634 -9.764 1 1 1008 . 6 1 1 A 106 106 VAL H H 86 7.900 7.475 0.425 1 1 1009 . 6 1 1 A 106 106 VAL HA H 86 4.190 4.564 -0.374 1 1 1017 . 6 1 1 A 106 106 VAL C C 86 176.300 175.779 0.521 1 1 1018 . 6 1 1 A 106 106 VAL CA C 86 62.190 62.505 -0.315 1 1 1019 . 6 1 1 A 106 106 VAL CB C 86 32.860 69.879 -37.019 1 1 1022 . 6 1 1 A 106 106 VAL N N 86 119.330 109.333 9.997 1 1 1023 . 6 1 1 A 107 107 THR H H 87 8.320 8.356 -0.036 1 1 1024 . 6 1 1 A 107 107 THR HA H 87 4.350 4.228 0.122 1 1 1029 . 6 1 1 A 107 107 THR C C 87 174.050 177.529 -3.479 1 1 1030 . 6 1 1 A 107 107 THR CA C 87 61.870 57.734 4.136 1 1 1031 . 6 1 1 A 107 107 THR CB C 87 69.910 30.066 39.844 1 1 1033 . 6 1 1 A 107 107 THR N N 87 119.480 122.600 -3.120 1 1 1034 . 6 1 1 A 108 108 ILE H H 88 8.360 8.114 0.246 1 1 1035 . 6 1 1 A 108 108 ILE HA H 88 4.470 4.022 0.448 1 1 1045 . 6 1 1 A 108 108 ILE CA C 88 58.410 59.432 -1.022 1 1 1046 . 6 1 1 A 108 108 ILE CB C 88 38.530 29.872 8.658 1 1 1050 . 6 1 1 A 108 108 ILE N N 88 126.140 119.191 6.949 1 1 1051 . 6 1 1 A 109 109 PRO HA H 89 4.380 4.207 0.173 1 1 1058 . 6 1 1 A 109 109 PRO C C 89 176.290 176.691 -0.401 1 1 1059 . 6 1 1 A 109 109 PRO CA C 89 63.210 61.148 2.062 1 1 1060 . 6 1 1 A 109 109 PRO CB C 89 32.220 63.279 -31.059 1 1 1063 . 6 1 1 A 110 110 ASP H H 90 8.370 8.429 -0.059 1 1 1064 . 6 1 1 A 110 110 ASP HA H 90 4.580 4.759 -0.179 1 1 1067 . 6 1 1 A 110 110 ASP C C 90 176.200 179.144 -2.944 1 1 1068 . 6 1 1 A 110 110 ASP CA C 90 54.290 57.871 -3.581 1 1 1069 . 6 1 1 A 110 110 ASP CB C 90 41.120 31.568 9.552 1 1 1070 . 6 1 1 A 110 110 ASP N N 90 120.470 119.576 0.894 1 1 1071 . 6 1 1 A 111 111 LEU H H 91 8.250 8.005 0.245 1 1 1072 . 6 1 1 A 111 111 LEU HA H 91 4.370 4.452 -0.082 1 1 1081 . 6 1 1 A 111 111 LEU C C 91 177.040 177.718 -0.678 1 1 1082 . 6 1 1 A 111 111 LEU CA C 91 55.060 59.709 -4.649 1 1 1083 . 6 1 1 A 111 111 LEU CB C 91 42.290 29.131 13.159 1 1 1086 . 6 1 1 A 111 111 LEU N N 91 123.570 117.386 6.184 1 1 1087 . 6 1 1 A 112 112 GLY H H 92 8.080 7.885 0.195 1 1 1090 . 6 1 1 A 112 112 GLY CA C 92 46.190 54.999 -8.809 1 1 246 . 7 1 1 A 42 42 THR H H 22 8.820 8.850 -0.030 1 1 247 . 7 1 1 A 42 42 THR HA H 22 4.800 4.587 0.213 1 1 252 . 7 1 1 A 42 42 THR C C 22 170.950 175.187 -4.237 1 1 253 . 7 1 1 A 42 42 THR CA C 22 60.870 55.520 5.350 1 1 254 . 7 1 1 A 42 42 THR CB C 22 71.510 32.241 39.269 1 1 256 . 7 1 1 A 42 42 THR N N 22 116.000 127.662 -11.662 1 1 257 . 7 1 1 A 43 43 VAL H H 23 8.140 8.697 -0.557 1 1 258 . 7 1 1 A 43 43 VAL HA H 23 4.830 4.494 0.336 1 1 266 . 7 1 1 A 43 43 VAL C C 23 176.470 175.080 1.390 1 1 267 . 7 1 1 A 43 43 VAL CA C 23 61.540 61.732 -0.192 1 1 268 . 7 1 1 A 43 43 VAL CB C 23 32.270 32.758 -0.488 1 1 271 . 7 1 1 A 43 43 VAL N N 23 125.850 125.639 0.211 1 1 272 . 7 1 1 A 44 44 ILE H H 24 9.350 8.679 0.671 1 1 273 . 7 1 1 A 44 44 ILE HA H 24 4.220 4.270 -0.050 1 1 283 . 7 1 1 A 44 44 ILE C C 24 176.050 174.029 2.021 1 1 284 . 7 1 1 A 44 44 ILE CA C 24 60.880 63.332 -2.452 1 1 285 . 7 1 1 A 44 44 ILE CB C 24 40.830 68.873 -28.043 1 1 289 . 7 1 1 A 44 44 ILE N N 24 128.460 123.865 4.595 1 1 290 . 7 1 1 A 45 45 ASP H H 25 9.450 8.949 0.501 1 1 291 . 7 1 1 A 45 45 ASP HA H 25 4.320 5.035 -0.715 1 1 294 . 7 1 1 A 45 45 ASP C C 25 176.060 176.031 0.029 1 1 295 . 7 1 1 A 45 45 ASP CA C 25 55.170 54.252 0.918 1 1 296 . 7 1 1 A 45 45 ASP CB C 25 39.870 40.904 -1.034 1 1 297 . 7 1 1 A 45 45 ASP N N 25 129.730 128.767 0.963 1 1 298 . 7 1 1 A 46 46 GLY H H 26 8.360 8.655 -0.295 1 1 301 . 7 1 1 A 46 46 GLY C C 26 173.150 175.442 -2.292 1 1 302 . 7 1 1 A 46 46 GLY CA C 26 46.190 61.882 -15.692 1 1 303 . 7 1 1 A 46 46 GLY N N 26 102.380 125.512 -23.132 1 1 304 . 7 1 1 A 47 47 LYS H H 27 8.000 9.054 -1.054 1 1 305 . 7 1 1 A 47 47 LYS HA H 27 4.780 4.825 -0.045 1 1 314 . 7 1 1 A 47 47 LYS C C 27 177.050 178.074 -1.024 1 1 315 . 7 1 1 A 47 47 LYS CA C 27 54.870 54.809 0.061 1 1 316 . 7 1 1 A 47 47 LYS CB C 27 36.020 31.856 4.164 1 1 320 . 7 1 1 A 47 47 LYS N N 27 121.330 126.569 -5.239 1 1 321 . 7 1 1 A 48 48 VAL H H 28 8.160 8.760 -0.600 1 1 322 . 7 1 1 A 48 48 VAL HA H 28 4.450 4.118 0.332 1 1 330 . 7 1 1 A 48 48 VAL C C 28 174.640 177.883 -3.243 1 1 331 . 7 1 1 A 48 48 VAL CA C 28 60.800 64.341 -3.541 1 1 332 . 7 1 1 A 48 48 VAL CB C 28 32.310 37.626 -5.316 1 1 335 . 7 1 1 A 48 48 VAL N N 28 119.880 124.561 -4.681 1 1 336 . 7 1 1 A 49 49 TYR H H 29 9.130 8.395 0.735 1 1 337 . 7 1 1 A 49 49 TYR HA H 29 5.200 3.984 1.216 1 1 344 . 7 1 1 A 49 49 TYR C C 29 174.540 179.415 -4.875 1 1 345 . 7 1 1 A 49 49 TYR CA C 29 56.640 55.954 0.686 1 1 346 . 7 1 1 A 49 49 TYR CB C 29 43.420 18.232 25.188 1 1 349 . 7 1 1 A 49 49 TYR N N 29 124.890 123.266 1.624 1 1 350 . 7 1 1 A 50 50 ASP H H 30 9.000 8.151 0.849 1 1 351 . 7 1 1 A 50 50 ASP HA H 30 5.330 4.393 0.937 1 1 354 . 7 1 1 A 50 50 ASP C C 30 176.020 178.721 -2.701 1 1 355 . 7 1 1 A 50 50 ASP CA C 30 53.180 57.715 -4.535 1 1 356 . 7 1 1 A 50 50 ASP CB C 30 40.910 41.323 -0.413 1 1 357 . 7 1 1 A 50 50 ASP N N 30 119.790 118.259 1.531 1 1 358 . 7 1 1 A 51 51 ILE H H 31 8.700 8.157 0.543 1 1 359 . 7 1 1 A 51 51 ILE HA H 31 3.710 3.989 -0.279 1 1 369 . 7 1 1 A 51 51 ILE C C 31 178.070 179.343 -1.273 1 1 370 . 7 1 1 A 51 51 ILE CA C 31 60.750 58.077 2.673 1 1 371 . 7 1 1 A 51 51 ILE CB C 31 35.230 41.622 -6.392 1 1 375 . 7 1 1 A 51 51 ILE N N 31 125.270 119.900 5.370 1 1 376 . 7 1 1 A 52 52 LYS H H 32 8.030 8.095 -0.065 1 1 377 . 7 1 1 A 52 52 LYS HA H 32 4.340 3.958 0.382 1 1 386 . 7 1 1 A 52 52 LYS C C 32 179.540 179.404 0.136 1 1 387 . 7 1 1 A 52 52 LYS CA C 32 59.380 59.885 -0.505 1 1 388 . 7 1 1 A 52 52 LYS CB C 32 31.930 29.122 2.808 1 1 392 . 7 1 1 A 52 52 LYS N N 32 120.520 118.126 2.394 1 1 393 . 7 1 1 A 53 53 ASP H H 33 7.810 7.842 -0.032 1 1 394 . 7 1 1 A 53 53 ASP HA H 33 4.620 4.522 0.098 1 1 397 . 7 1 1 A 53 53 ASP C C 33 177.670 177.800 -0.130 1 1 398 . 7 1 1 A 53 53 ASP CA C 33 56.840 56.136 0.704 1 1 399 . 7 1 1 A 53 53 ASP CB C 33 41.220 38.348 2.872 1 1 400 . 7 1 1 A 53 53 ASP N N 33 120.590 117.480 3.110 1 1 401 . 7 1 1 A 54 54 PHE H H 34 7.660 7.914 -0.254 1 1 402 . 7 1 1 A 54 54 PHE HA H 34 3.100 4.028 -0.928 1 1 410 . 7 1 1 A 54 54 PHE C C 34 176.960 176.892 0.068 1 1 411 . 7 1 1 A 54 54 PHE CA C 34 60.670 59.661 1.009 1 1 412 . 7 1 1 A 54 54 PHE CB C 34 38.870 29.369 9.501 1 1 416 . 7 1 1 A 54 54 PHE N N 34 120.480 120.985 -0.505 1 1 417 . 7 1 1 A 55 55 GLN H H 35 8.860 8.365 0.495 1 1 418 . 7 1 1 A 55 55 GLN HA H 35 3.660 4.276 -0.616 1 1 425 . 7 1 1 A 55 55 GLN C C 35 178.510 177.452 1.058 1 1 426 . 7 1 1 A 55 55 GLN CA C 35 58.980 56.839 2.141 1 1 427 . 7 1 1 A 55 55 GLN CB C 35 29.450 38.691 -9.241 1 1 429 . 7 1 1 A 55 55 GLN N N 35 119.060 116.835 2.225 1 1 431 . 7 1 1 A 56 56 THR H H 36 8.150 7.914 0.236 1 1 432 . 7 1 1 A 56 56 THR HA H 36 3.930 4.455 -0.525 1 1 437 . 7 1 1 A 56 56 THR C C 36 176.550 177.230 -0.680 1 1 438 . 7 1 1 A 56 56 THR CA C 36 66.070 56.726 9.344 1 1 439 . 7 1 1 A 56 56 THR CB C 36 69.030 39.712 29.318 1 1 441 . 7 1 1 A 56 56 THR N N 36 115.130 117.658 -2.528 1 1 442 . 7 1 1 A 57 57 GLN H H 37 8.230 7.322 0.908 1 1 443 . 7 1 1 A 57 57 GLN HA H 37 4.210 4.503 -0.293 1 1 450 . 7 1 1 A 57 57 GLN CA C 37 58.050 54.474 3.576 1 1 451 . 7 1 1 A 57 57 GLN CB C 37 28.290 41.118 -12.828 1 1 453 . 7 1 1 A 57 57 GLN N N 37 119.670 116.951 2.719 1 1 458 . 7 1 1 A 58 58 SER C C 38 174.020 174.990 -0.970 1 1 459 . 7 1 1 A 58 58 SER CA C 38 60.500 45.303 15.197 1 1 461 . 7 1 1 A 59 59 LEU H H 39 7.320 7.883 -0.563 1 1 465 . 7 1 1 A 59 59 LEU CA C 39 55.140 46.715 8.425 1 1 467 . 7 1 1 A 59 59 LEU N N 39 120.250 107.891 12.359 1 1 468 . 7 1 1 A 60 60 THR H H 40 7.510 8.809 -1.299 1 1 469 . 7 1 1 A 60 60 THR HA H 40 4.250 4.820 -0.570 1 1 474 . 7 1 1 A 60 60 THR C C 40 174.900 174.686 0.214 1 1 475 . 7 1 1 A 60 60 THR CA C 40 62.320 56.837 5.483 1 1 476 . 7 1 1 A 60 60 THR CB C 40 70.110 39.251 30.859 1 1 478 . 7 1 1 A 60 60 THR N N 40 112.820 126.281 -13.461 1 1 479 . 7 1 1 A 61 61 GLU H H 41 8.510 8.949 -0.439 1 1 480 . 7 1 1 A 61 61 GLU HA H 41 4.100 5.392 -1.292 1 1 485 . 7 1 1 A 61 61 GLU C C 41 176.720 174.965 1.755 1 1 486 . 7 1 1 A 61 61 GLU CA C 41 57.840 56.326 1.514 1 1 487 . 7 1 1 A 61 61 GLU CB C 41 29.840 32.416 -2.576 1 1 489 . 7 1 1 A 61 61 GLU N N 41 123.410 127.462 -4.052 1 1 490 . 7 1 1 A 62 62 ASN H H 42 8.600 8.438 0.162 1 1 491 . 7 1 1 A 62 62 ASN HA H 42 4.580 4.821 -0.241 1 1 496 . 7 1 1 A 62 62 ASN C C 42 174.940 171.659 3.281 1 1 497 . 7 1 1 A 62 62 ASN CA C 42 53.760 59.989 -6.229 1 1 498 . 7 1 1 A 62 62 ASN CB C 42 38.130 71.603 -33.473 1 1 499 . 7 1 1 A 62 62 ASN N N 42 117.760 114.620 3.140 1 1 501 . 7 1 1 A 63 63 SER H H 43 7.800 8.792 -0.992 1 1 502 . 7 1 1 A 63 63 SER HA H 43 4.400 5.256 -0.856 1 1 505 . 7 1 1 A 63 63 SER C C 43 177.320 174.238 3.082 1 1 506 . 7 1 1 A 63 63 SER CA C 43 58.730 59.865 -1.135 1 1 507 . 7 1 1 A 63 63 SER CB C 43 64.210 33.548 30.662 1 1 508 . 7 1 1 A 63 63 SER N N 43 114.610 123.224 -8.614 1 1 509 . 7 1 1 A 64 64 ILE H H 44 8.710 8.831 -0.121 1 1 510 . 7 1 1 A 64 64 ILE HA H 44 4.180 4.527 -0.347 1 1 520 . 7 1 1 A 64 64 ILE C C 44 176.550 175.923 0.627 1 1 521 . 7 1 1 A 64 64 ILE CA C 44 63.280 60.022 3.258 1 1 522 . 7 1 1 A 64 64 ILE CB C 44 38.110 40.529 -2.419 1 1 526 . 7 1 1 A 64 64 ILE N N 44 125.240 128.807 -3.567 1 1 527 . 7 1 1 A 65 65 LEU H H 45 8.160 9.481 -1.321 1 1 528 . 7 1 1 A 65 65 LEU HA H 45 4.450 4.315 0.135 1 1 538 . 7 1 1 A 65 65 LEU C C 45 177.800 175.567 2.233 1 1 539 . 7 1 1 A 65 65 LEU CA C 45 54.820 55.146 -0.326 1 1 540 . 7 1 1 A 65 65 LEU CB C 45 41.790 39.807 1.983 1 1 544 . 7 1 1 A 65 65 LEU N N 45 118.980 127.905 -8.925 1 1 545 . 7 1 1 A 66 66 ALA H H 46 7.700 8.720 -1.020 1 1 550 . 7 1 1 A 66 66 ALA C C 46 179.870 173.762 6.108 1 1 551 . 7 1 1 A 66 66 ALA CA C 46 54.980 46.067 8.913 1 1 553 . 7 1 1 A 66 66 ALA N N 46 122.830 104.155 18.675 1 1 554 . 7 1 1 A 67 67 GLN H H 47 7.920 7.767 0.153 1 1 555 . 7 1 1 A 67 67 GLN HA H 47 4.110 4.815 -0.705 1 1 562 . 7 1 1 A 67 67 GLN C C 47 175.990 174.904 1.086 1 1 563 . 7 1 1 A 67 67 GLN CA C 47 57.170 54.056 3.114 1 1 564 . 7 1 1 A 67 67 GLN CB C 47 28.180 35.697 -7.517 1 1 566 . 7 1 1 A 67 67 GLN N N 47 115.030 119.828 -4.798 1 1 568 . 7 1 1 A 68 68 PHE H H 48 7.790 8.267 -0.477 1 1 569 . 7 1 1 A 68 68 PHE HA H 48 4.690 4.940 -0.250 1 1 576 . 7 1 1 A 68 68 PHE C C 48 175.620 174.322 1.298 1 1 577 . 7 1 1 A 68 68 PHE CA C 48 57.220 60.856 -3.636 1 1 578 . 7 1 1 A 68 68 PHE CB C 48 39.320 32.910 6.410 1 1 581 . 7 1 1 A 68 68 PHE N N 48 118.560 121.432 -2.872 1 1 582 . 7 1 1 A 69 69 ALA H H 49 7.600 8.926 -1.326 1 1 583 . 7 1 1 A 69 69 ALA HA H 49 4.120 5.212 -1.092 1 1 587 . 7 1 1 A 69 69 ALA C C 49 178.250 173.810 4.440 1 1 588 . 7 1 1 A 69 69 ALA CA C 49 53.920 55.850 -1.930 1 1 589 . 7 1 1 A 69 69 ALA CB C 49 18.660 43.025 -24.365 1 1 590 . 7 1 1 A 69 69 ALA N N 49 123.340 126.355 -3.015 1 1 591 . 7 1 1 A 70 70 GLY H H 50 8.500 8.519 -0.019 1 1 594 . 7 1 1 A 70 70 GLY C C 50 174.070 175.846 -1.776 1 1 595 . 7 1 1 A 70 70 GLY CA C 50 45.390 52.954 -7.564 1 1 596 . 7 1 1 A 70 70 GLY N N 50 108.770 123.222 -14.452 1 1 597 . 7 1 1 A 71 71 GLU H H 51 7.800 8.557 -0.757 1 1 598 . 7 1 1 A 71 71 GLU HA H 51 4.430 4.007 0.423 1 1 603 . 7 1 1 A 71 71 GLU C C 51 176.220 178.137 -1.917 1 1 604 . 7 1 1 A 71 71 GLU CA C 51 55.430 63.923 -8.493 1 1 605 . 7 1 1 A 71 71 GLU CB C 51 30.980 37.824 -6.844 1 1 607 . 7 1 1 A 71 71 GLU N N 51 119.390 125.825 -6.435 1 1 608 . 7 1 1 A 72 72 ASP H H 52 8.830 8.312 0.518 1 1 609 . 7 1 1 A 72 72 ASP HA H 52 4.850 4.145 0.705 1 1 612 . 7 1 1 A 72 72 ASP CA C 52 52.110 60.218 -8.108 1 1 613 . 7 1 1 A 72 72 ASP CB C 52 42.070 32.418 9.652 1 1 614 . 7 1 1 A 72 72 ASP N N 52 123.830 123.160 0.670 1 1 615 . 7 1 1 A 73 73 PRO HA H 53 4.410 4.548 -0.138 1 1 622 . 7 1 1 A 73 73 PRO C C 53 177.290 178.624 -1.334 1 1 623 . 7 1 1 A 73 73 PRO CA C 53 64.940 57.473 7.467 1 1 624 . 7 1 1 A 73 73 PRO CB C 53 32.130 41.097 -8.967 1 1 627 . 7 1 1 A 74 74 VAL H H 54 7.950 8.172 -0.222 1 1 628 . 7 1 1 A 74 74 VAL HA H 54 3.360 3.929 -0.569 1 1 636 . 7 1 1 A 74 74 VAL C C 54 177.540 177.628 -0.088 1 1 637 . 7 1 1 A 74 74 VAL CA C 54 66.820 61.998 4.822 1 1 638 . 7 1 1 A 74 74 VAL CB C 54 31.310 39.017 -7.707 1 1 641 . 7 1 1 A 74 74 VAL N N 54 118.670 120.423 -1.753 1 1 642 . 7 1 1 A 75 75 VAL H H 55 7.090 8.496 -1.406 1 1 643 . 7 1 1 A 75 75 VAL HA H 55 3.620 4.183 -0.563 1 1 651 . 7 1 1 A 75 75 VAL C C 55 175.050 177.942 -2.892 1 1 652 . 7 1 1 A 75 75 VAL CA C 55 65.440 58.614 6.826 1 1 653 . 7 1 1 A 75 75 VAL CB C 55 32.210 27.621 4.589 1 1 656 . 7 1 1 A 75 75 VAL N N 55 120.340 117.783 2.557 1 1 657 . 7 1 1 A 76 76 ALA H H 56 8.050 7.915 0.135 1 1 658 . 7 1 1 A 76 76 ALA HA H 56 3.870 3.885 -0.015 1 1 662 . 7 1 1 A 76 76 ALA C C 56 178.160 177.178 0.982 1 1 663 . 7 1 1 A 76 76 ALA CA C 56 54.840 66.906 -12.066 1 1 664 . 7 1 1 A 76 76 ALA CB C 56 19.250 68.328 -49.078 1 1 665 . 7 1 1 A 76 76 ALA N N 56 121.910 119.229 2.681 1 1 666 . 7 1 1 A 77 77 LEU H H 57 7.720 7.604 0.116 1 1 667 . 7 1 1 A 77 77 LEU HA H 57 3.170 4.195 -1.025 1 1 677 . 7 1 1 A 77 77 LEU C C 57 178.010 178.147 -0.137 1 1 678 . 7 1 1 A 77 77 LEU CA C 57 58.260 58.188 0.072 1 1 679 . 7 1 1 A 77 77 LEU CB C 57 39.970 27.718 12.252 1 1 683 . 7 1 1 A 77 77 LEU N N 57 120.030 120.368 -0.338 1 1 684 . 7 1 1 A 78 78 GLU H H 58 7.840 7.912 -0.072 1 1 685 . 7 1 1 A 78 78 GLU HA H 58 3.510 4.336 -0.826 1 1 690 . 7 1 1 A 78 78 GLU C C 58 179.140 176.310 2.830 1 1 691 . 7 1 1 A 78 78 GLU CA C 58 60.290 61.279 -0.989 1 1 692 . 7 1 1 A 78 78 GLU CB C 58 29.420 63.166 -33.746 1 1 694 . 7 1 1 A 78 78 GLU N N 58 116.990 118.033 -1.043 1 1 695 . 7 1 1 A 79 79 ALA H H 59 7.710 7.651 0.059 1 1 696 . 7 1 1 A 79 79 ALA HA H 59 3.940 4.120 -0.180 1 1 700 . 7 1 1 A 79 79 ALA C C 59 180.360 177.414 2.946 1 1 701 . 7 1 1 A 79 79 ALA CA C 59 54.790 57.439 -2.649 1 1 702 . 7 1 1 A 79 79 ALA CB C 59 17.930 41.349 -23.419 1 1 703 . 7 1 1 A 79 79 ALA N N 59 120.690 121.994 -1.304 1 1 704 . 7 1 1 A 80 80 ALA H H 60 8.220 7.593 0.627 1 1 705 . 7 1 1 A 80 80 ALA HA H 60 3.970 4.199 -0.229 1 1 709 . 7 1 1 A 80 80 ALA C C 60 180.570 176.785 3.785 1 1 710 . 7 1 1 A 80 80 ALA CA C 60 54.160 64.319 -10.159 1 1 711 . 7 1 1 A 80 80 ALA CB C 60 18.830 69.217 -50.387 1 1 712 . 7 1 1 A 80 80 ALA N N 60 122.230 114.202 8.028 1 1 713 . 7 1 1 A 81 81 LEU H H 61 7.800 8.838 -1.038 1 1 714 . 7 1 1 A 81 81 LEU HA H 61 3.890 4.124 -0.234 1 1 724 . 7 1 1 A 81 81 LEU C C 61 177.590 176.780 0.810 1 1 725 . 7 1 1 A 81 81 LEU CA C 61 56.650 59.319 -2.669 1 1 726 . 7 1 1 A 81 81 LEU CB C 61 42.630 29.022 13.608 1 1 730 . 7 1 1 A 81 81 LEU N N 61 116.150 124.518 -8.368 1 1 731 . 7 1 1 A 82 82 GLN H H 62 7.450 8.026 -0.576 1 1 732 . 7 1 1 A 82 82 GLN HA H 62 4.250 5.193 -0.943 1 1 739 . 7 1 1 A 82 82 GLN C C 62 176.120 174.112 2.008 1 1 740 . 7 1 1 A 82 82 GLN CA C 62 55.880 52.317 3.563 1 1 741 . 7 1 1 A 82 82 GLN CB C 62 29.330 40.019 -10.689 1 1 743 . 7 1 1 A 82 82 GLN N N 62 115.740 117.617 -1.877 1 1 745 . 7 1 1 A 83 83 PHE H H 63 7.300 8.603 -1.303 1 1 746 . 7 1 1 A 83 83 PHE HA H 63 4.900 5.029 -0.129 1 1 753 . 7 1 1 A 83 83 PHE C C 63 176.470 173.784 2.686 1 1 754 . 7 1 1 A 83 83 PHE CA C 63 56.260 56.942 -0.682 1 1 755 . 7 1 1 A 83 83 PHE CB C 63 39.000 64.593 -25.593 1 1 758 . 7 1 1 A 83 83 PHE N N 63 120.420 118.077 2.343 1 1 759 . 7 1 1 A 84 84 GLU H H 64 9.090 8.627 0.463 1 1 760 . 7 1 1 A 84 84 GLU HA H 64 3.850 3.783 0.067 1 1 765 . 7 1 1 A 84 84 GLU C C 64 178.010 176.458 1.552 1 1 766 . 7 1 1 A 84 84 GLU CA C 64 59.910 64.049 -4.139 1 1 767 . 7 1 1 A 84 84 GLU CB C 64 29.640 37.877 -8.237 1 1 769 . 7 1 1 A 84 84 GLU N N 64 126.260 123.839 2.421 1 1 770 . 7 1 1 A 85 85 ASP H H 65 7.670 7.715 -0.045 1 1 771 . 7 1 1 A 85 85 ASP HA H 65 4.480 4.664 -0.184 1 1 774 . 7 1 1 A 85 85 ASP C C 65 177.530 178.182 -0.652 1 1 775 . 7 1 1 A 85 85 ASP CA C 65 56.290 55.387 0.903 1 1 776 . 7 1 1 A 85 85 ASP CB C 65 40.480 41.941 -1.461 1 1 777 . 7 1 1 A 85 85 ASP N N 65 114.070 121.966 -7.896 1 1 778 . 7 1 1 A 86 86 THR H H 66 7.560 7.860 -0.300 1 1 779 . 7 1 1 A 86 86 THR HA H 66 4.530 4.055 0.475 1 1 784 . 7 1 1 A 86 86 THR C C 66 176.820 180.172 -3.352 1 1 785 . 7 1 1 A 86 86 THR CA C 66 62.380 54.973 7.407 1 1 786 . 7 1 1 A 86 86 THR CB C 66 70.200 18.032 52.168 1 1 788 . 7 1 1 A 86 86 THR N N 66 106.640 122.334 -15.694 1 1 789 . 7 1 1 A 87 87 ARG H H 67 8.100 8.314 -0.214 1 1 790 . 7 1 1 A 87 87 ARG HA H 67 4.020 4.061 -0.041 1 1 797 . 7 1 1 A 87 87 ARG C C 67 178.760 176.429 2.331 1 1 798 . 7 1 1 A 87 87 ARG CA C 67 61.140 57.849 3.291 1 1 799 . 7 1 1 A 87 87 ARG CB C 67 30.220 27.322 2.898 1 1 802 . 7 1 1 A 87 87 ARG N N 67 124.220 115.909 8.311 1 1 803 . 7 1 1 A 88 88 GLU H H 68 8.790 7.498 1.292 1 1 804 . 7 1 1 A 88 88 GLU HA H 68 4.090 4.492 -0.402 1 1 809 . 7 1 1 A 88 88 GLU C C 68 179.320 176.354 2.966 1 1 810 . 7 1 1 A 88 88 GLU CA C 68 59.150 57.753 1.397 1 1 811 . 7 1 1 A 88 88 GLU CB C 68 28.930 38.593 -9.663 1 1 813 . 7 1 1 A 88 88 GLU N N 68 118.790 117.812 0.978 1 1 814 . 7 1 1 A 89 89 SER H H 69 8.140 7.747 0.393 1 1 815 . 7 1 1 A 89 89 SER HA H 69 4.390 4.160 0.230 1 1 818 . 7 1 1 A 89 89 SER C C 69 176.100 179.185 -3.085 1 1 819 . 7 1 1 A 89 89 SER CA C 69 61.000 54.874 6.126 1 1 820 . 7 1 1 A 89 89 SER CB C 69 63.190 18.380 44.810 1 1 821 . 7 1 1 A 89 89 SER N N 69 115.570 122.680 -7.110 1 1 822 . 7 1 1 A 90 90 MET H H 70 7.690 8.235 -0.545 1 1 831 . 7 1 1 A 90 90 MET C C 70 177.990 173.543 4.447 1 1 832 . 7 1 1 A 90 90 MET CA C 70 55.140 45.316 9.824 1 1 836 . 7 1 1 A 90 90 MET N N 70 118.160 105.975 12.185 1 1 837 . 7 1 1 A 91 91 HIS H H 71 7.740 7.688 0.052 1 1 838 . 7 1 1 A 91 91 HIS HA H 71 4.430 4.975 -0.545 1 1 842 . 7 1 1 A 91 91 HIS C C 71 177.460 174.839 2.621 1 1 843 . 7 1 1 A 91 91 HIS CA C 71 58.830 54.439 4.391 1 1 844 . 7 1 1 A 91 91 HIS CB C 71 29.680 33.058 -3.378 1 1 846 . 7 1 1 A 91 91 HIS N N 71 118.990 120.762 -1.772 1 1 847 . 7 1 1 A 92 92 ALA H H 72 7.230 8.637 -1.407 1 1 848 . 7 1 1 A 92 92 ALA HA H 72 3.900 4.697 -0.797 1 1 852 . 7 1 1 A 92 92 ALA C C 72 177.850 176.585 1.265 1 1 853 . 7 1 1 A 92 92 ALA CA C 72 53.840 52.101 1.739 1 1 854 . 7 1 1 A 92 92 ALA CB C 72 18.250 41.860 -23.610 1 1 855 . 7 1 1 A 92 92 ALA N N 72 120.170 125.965 -5.795 1 1 857 . 7 1 1 A 93 93 PHE HA H 73 4.970 4.459 0.511 1 1 865 . 7 1 1 A 93 93 PHE C C 73 174.000 178.278 -4.278 1 1 866 . 7 1 1 A 93 93 PHE CA C 73 56.420 64.877 -8.457 1 1 867 . 7 1 1 A 93 93 PHE CB C 73 39.050 32.082 6.968 1 1 871 . 7 1 1 A 93 93 PHE N N 73 113.910 141.750 -27.840 1 1 872 . 7 1 1 A 94 94 CYS H H 74 7.690 6.761 0.929 1 1 873 . 7 1 1 A 94 94 CYS HA H 74 4.120 3.526 0.594 1 1 876 . 7 1 1 A 94 94 CYS C C 74 174.900 177.817 -2.917 1 1 877 . 7 1 1 A 94 94 CYS CA C 74 58.200 64.844 -6.644 1 1 878 . 7 1 1 A 94 94 CYS CB C 74 27.320 31.431 -4.111 1 1 879 . 7 1 1 A 94 94 CYS N N 74 121.190 116.774 4.416 1 1 880 . 7 1 1 A 95 95 VAL H H 75 8.770 7.924 0.846 1 1 881 . 7 1 1 A 95 95 VAL HA H 75 3.820 3.659 0.161 1 1 889 . 7 1 1 A 95 95 VAL C C 75 175.640 177.863 -2.223 1 1 890 . 7 1 1 A 95 95 VAL CA C 75 62.250 66.165 -3.915 1 1 891 . 7 1 1 A 95 95 VAL CB C 75 32.280 31.383 0.897 1 1 894 . 7 1 1 A 95 95 VAL N N 75 128.310 120.843 7.467 1 1 895 . 7 1 1 A 96 96 GLY H H 76 7.130 7.825 -0.695 1 1 898 . 7 1 1 A 96 96 GLY C C 76 171.220 179.800 -8.580 1 1 899 . 7 1 1 A 96 96 GLY CA C 76 44.940 54.991 -10.051 1 1 900 . 7 1 1 A 96 96 GLY N N 76 105.330 121.180 -15.850 1 1 901 . 7 1 1 A 97 97 GLN H H 77 8.590 7.880 0.710 1 1 902 . 7 1 1 A 97 97 GLN HA H 77 4.460 3.841 0.619 1 1 909 . 7 1 1 A 97 97 GLN C C 77 174.070 178.445 -4.375 1 1 910 . 7 1 1 A 97 97 GLN CA C 77 54.860 57.982 -3.122 1 1 911 . 7 1 1 A 97 97 GLN CB C 77 30.820 40.954 -10.134 1 1 913 . 7 1 1 A 97 97 GLN N N 77 120.500 121.194 -0.694 1 1 915 . 7 1 1 A 98 98 TYR H H 78 8.440 7.655 0.785 1 1 916 . 7 1 1 A 98 98 TYR HA H 78 4.960 3.886 1.074 1 1 923 . 7 1 1 A 98 98 TYR C C 78 174.460 179.151 -4.691 1 1 924 . 7 1 1 A 98 98 TYR CA C 78 56.660 59.326 -2.666 1 1 925 . 7 1 1 A 98 98 TYR CB C 78 40.450 29.395 11.055 1 1 928 . 7 1 1 A 98 98 TYR N N 78 125.460 118.367 7.093 1 1 929 . 7 1 1 A 99 99 LEU H H 79 8.100 7.687 0.413 1 1 930 . 7 1 1 A 99 99 LEU HA H 79 4.360 4.079 0.281 1 1 940 . 7 1 1 A 99 99 LEU C C 79 173.790 180.053 -6.263 1 1 941 . 7 1 1 A 99 99 LEU CA C 79 53.110 54.770 -1.660 1 1 942 . 7 1 1 A 99 99 LEU CB C 79 43.200 17.889 25.311 1 1 946 . 7 1 1 A 99 99 LEU N N 79 131.670 123.508 8.162 1 1 947 . 7 1 1 A 100 100 GLU H H 80 8.160 7.424 0.736 1 1 948 . 7 1 1 A 100 100 GLU HA H 80 4.140 4.436 -0.296 1 1 953 . 7 1 1 A 100 100 GLU CA C 80 54.540 54.708 -0.168 1 1 954 . 7 1 1 A 100 100 GLU CB C 80 29.270 18.473 10.797 1 1 956 . 7 1 1 A 100 100 GLU N N 80 125.120 120.729 4.391 1 1 957 . 7 1 1 A 101 101 PRO HA H 81 4.380 4.049 0.331 1 1 964 . 7 1 1 A 101 101 PRO C C 81 177.370 179.108 -1.738 1 1 965 . 7 1 1 A 101 101 PRO CA C 81 64.050 57.623 6.427 1 1 966 . 7 1 1 A 101 101 PRO CB C 81 32.130 41.385 -9.255 1 1 969 . 7 1 1 A 102 102 ASP H H 82 8.430 7.917 0.513 1 1 970 . 7 1 1 A 102 102 ASP HA H 82 4.550 4.090 0.460 1 1 973 . 7 1 1 A 102 102 ASP C C 82 176.950 176.689 0.261 1 1 974 . 7 1 1 A 102 102 ASP CA C 82 54.680 59.111 -4.431 1 1 975 . 7 1 1 A 102 102 ASP CB C 82 40.630 28.965 11.665 1 1 976 . 7 1 1 A 102 102 ASP N N 82 118.470 118.743 -0.273 1 1 977 . 7 1 1 A 103 103 GLN H H 83 8.230 7.738 0.492 1 1 978 . 7 1 1 A 103 103 GLN HA H 83 4.340 4.817 -0.477 1 1 985 . 7 1 1 A 103 103 GLN C C 83 176.210 176.684 -0.474 1 1 986 . 7 1 1 A 103 103 GLN CA C 83 55.640 57.736 -2.096 1 1 987 . 7 1 1 A 103 103 GLN CB C 83 29.630 39.802 -10.172 1 1 989 . 7 1 1 A 103 103 GLN N N 83 119.650 120.399 -0.749 1 1 991 . 7 1 1 A 104 104 GLU H H 84 8.250 8.348 -0.098 1 1 992 . 7 1 1 A 104 104 GLU HA H 84 4.220 3.976 0.244 1 1 997 . 7 1 1 A 104 104 GLU C C 84 177.100 178.271 -1.171 1 1 998 . 7 1 1 A 104 104 GLU CA C 84 57.220 59.185 -1.965 1 1 999 . 7 1 1 A 104 104 GLU CB C 84 30.320 28.770 1.550 1 1 1001 . 7 1 1 A 104 104 GLU N N 84 121.670 125.290 -3.620 1 1 1002 . 7 1 1 A 105 105 GLY H H 85 8.450 7.284 1.166 1 1 1005 . 7 1 1 A 105 105 GLY C C 85 174.000 177.610 -3.610 1 1 1006 . 7 1 1 A 105 105 GLY CA C 85 45.410 56.347 -10.937 1 1 1007 . 7 1 1 A 105 105 GLY N N 85 109.870 120.034 -10.164 1 1 1008 . 7 1 1 A 106 106 VAL H H 86 7.900 8.006 -0.106 1 1 1009 . 7 1 1 A 106 106 VAL HA H 86 4.190 4.351 -0.161 1 1 1017 . 7 1 1 A 106 106 VAL C C 86 176.300 176.478 -0.178 1 1 1018 . 7 1 1 A 106 106 VAL CA C 86 62.190 64.954 -2.764 1 1 1019 . 7 1 1 A 106 106 VAL CB C 86 32.860 69.366 -36.506 1 1 1022 . 7 1 1 A 106 106 VAL N N 86 119.330 113.136 6.194 1 1 1023 . 7 1 1 A 107 107 THR H H 87 8.320 8.145 0.175 1 1 1024 . 7 1 1 A 107 107 THR HA H 87 4.350 4.293 0.057 1 1 1029 . 7 1 1 A 107 107 THR C C 87 174.050 177.931 -3.881 1 1 1030 . 7 1 1 A 107 107 THR CA C 87 61.870 57.691 4.179 1 1 1031 . 7 1 1 A 107 107 THR CB C 87 69.910 28.895 41.015 1 1 1033 . 7 1 1 A 107 107 THR N N 87 119.480 121.147 -1.667 1 1 1034 . 7 1 1 A 108 108 ILE H H 88 8.360 8.589 -0.229 1 1 1035 . 7 1 1 A 108 108 ILE HA H 88 4.470 4.154 0.316 1 1 1045 . 7 1 1 A 108 108 ILE CA C 88 58.410 59.196 -0.786 1 1 1046 . 7 1 1 A 108 108 ILE CB C 88 38.530 29.023 9.507 1 1 1050 . 7 1 1 A 108 108 ILE N N 88 126.140 120.770 5.370 1 1 1051 . 7 1 1 A 109 109 PRO HA H 89 4.380 4.245 0.135 1 1 1058 . 7 1 1 A 109 109 PRO C C 89 176.290 177.339 -1.049 1 1 1059 . 7 1 1 A 109 109 PRO CA C 89 63.210 61.384 1.826 1 1 1060 . 7 1 1 A 109 109 PRO CB C 89 32.220 63.024 -30.804 1 1 1063 . 7 1 1 A 110 110 ASP H H 90 8.370 8.577 -0.207 1 1 1064 . 7 1 1 A 110 110 ASP HA H 90 4.580 4.842 -0.262 1 1 1067 . 7 1 1 A 110 110 ASP C C 90 176.200 178.991 -2.791 1 1 1068 . 7 1 1 A 110 110 ASP CA C 90 54.290 57.963 -3.673 1 1 1069 . 7 1 1 A 110 110 ASP CB C 90 41.120 31.626 9.494 1 1 1070 . 7 1 1 A 110 110 ASP N N 90 120.470 119.798 0.672 1 1 1071 . 7 1 1 A 111 111 LEU H H 91 8.250 8.031 0.219 1 1 1072 . 7 1 1 A 111 111 LEU HA H 91 4.370 4.323 0.047 1 1 1081 . 7 1 1 A 111 111 LEU C C 91 177.040 177.185 -0.145 1 1 1082 . 7 1 1 A 111 111 LEU CA C 91 55.060 58.906 -3.846 1 1 1083 . 7 1 1 A 111 111 LEU CB C 91 42.290 30.003 12.287 1 1 1086 . 7 1 1 A 111 111 LEU N N 91 123.570 120.950 2.620 1 1 1087 . 7 1 1 A 112 112 GLY H H 92 8.080 7.642 0.438 1 1 1090 . 7 1 1 A 112 112 GLY CA C 92 46.190 53.958 -7.768 1 1 246 . 8 1 1 A 42 42 THR H H 22 8.820 8.497 0.323 1 1 247 . 8 1 1 A 42 42 THR HA H 22 4.800 4.360 0.440 1 1 252 . 8 1 1 A 42 42 THR C C 22 170.950 175.547 -4.597 1 1 253 . 8 1 1 A 42 42 THR CA C 22 60.870 56.502 4.368 1 1 254 . 8 1 1 A 42 42 THR CB C 22 71.510 33.036 38.474 1 1 256 . 8 1 1 A 42 42 THR N N 22 116.000 120.994 -4.994 1 1 257 . 8 1 1 A 43 43 VAL H H 23 8.140 8.713 -0.573 1 1 258 . 8 1 1 A 43 43 VAL HA H 23 4.830 4.889 -0.059 1 1 266 . 8 1 1 A 43 43 VAL C C 23 176.470 174.655 1.815 1 1 267 . 8 1 1 A 43 43 VAL CA C 23 61.540 59.667 1.873 1 1 268 . 8 1 1 A 43 43 VAL CB C 23 32.270 34.509 -2.239 1 1 271 . 8 1 1 A 43 43 VAL N N 23 125.850 121.321 4.529 1 1 272 . 8 1 1 A 44 44 ILE H H 24 9.350 8.594 0.756 1 1 273 . 8 1 1 A 44 44 ILE HA H 24 4.220 4.380 -0.160 1 1 283 . 8 1 1 A 44 44 ILE C C 24 176.050 174.271 1.779 1 1 284 . 8 1 1 A 44 44 ILE CA C 24 60.880 61.464 -0.584 1 1 285 . 8 1 1 A 44 44 ILE CB C 24 40.830 68.653 -27.823 1 1 289 . 8 1 1 A 44 44 ILE N N 24 128.460 119.887 8.573 1 1 290 . 8 1 1 A 45 45 ASP H H 25 9.450 8.855 0.595 1 1 291 . 8 1 1 A 45 45 ASP HA H 25 4.320 4.757 -0.437 1 1 294 . 8 1 1 A 45 45 ASP C C 25 176.060 176.195 -0.135 1 1 295 . 8 1 1 A 45 45 ASP CA C 25 55.170 54.155 1.015 1 1 296 . 8 1 1 A 45 45 ASP CB C 25 39.870 41.340 -1.470 1 1 297 . 8 1 1 A 45 45 ASP N N 25 129.730 127.983 1.747 1 1 298 . 8 1 1 A 46 46 GLY H H 26 8.360 8.868 -0.508 1 1 301 . 8 1 1 A 46 46 GLY C C 26 173.150 175.712 -2.562 1 1 302 . 8 1 1 A 46 46 GLY CA C 26 46.190 62.112 -15.922 1 1 303 . 8 1 1 A 46 46 GLY N N 26 102.380 124.873 -22.493 1 1 304 . 8 1 1 A 47 47 LYS H H 27 8.000 8.770 -0.770 1 1 305 . 8 1 1 A 47 47 LYS HA H 27 4.780 4.225 0.555 1 1 314 . 8 1 1 A 47 47 LYS C C 27 177.050 177.543 -0.493 1 1 315 . 8 1 1 A 47 47 LYS CA C 27 54.870 56.654 -1.784 1 1 316 . 8 1 1 A 47 47 LYS CB C 27 36.020 30.837 5.183 1 1 320 . 8 1 1 A 47 47 LYS N N 27 121.330 126.322 -4.992 1 1 321 . 8 1 1 A 48 48 VAL H H 28 8.160 8.619 -0.459 1 1 322 . 8 1 1 A 48 48 VAL HA H 28 4.450 4.130 0.320 1 1 330 . 8 1 1 A 48 48 VAL C C 28 174.640 177.720 -3.080 1 1 331 . 8 1 1 A 48 48 VAL CA C 28 60.800 64.489 -3.689 1 1 332 . 8 1 1 A 48 48 VAL CB C 28 32.310 37.502 -5.192 1 1 335 . 8 1 1 A 48 48 VAL N N 28 119.880 124.373 -4.493 1 1 336 . 8 1 1 A 49 49 TYR H H 29 9.130 8.322 0.808 1 1 337 . 8 1 1 A 49 49 TYR HA H 29 5.200 4.094 1.106 1 1 344 . 8 1 1 A 49 49 TYR C C 29 174.540 179.597 -5.057 1 1 345 . 8 1 1 A 49 49 TYR CA C 29 56.640 55.243 1.397 1 1 346 . 8 1 1 A 49 49 TYR CB C 29 43.420 17.993 25.427 1 1 349 . 8 1 1 A 49 49 TYR N N 29 124.890 123.266 1.624 1 1 350 . 8 1 1 A 50 50 ASP H H 30 9.000 8.106 0.894 1 1 351 . 8 1 1 A 50 50 ASP HA H 30 5.330 4.437 0.893 1 1 354 . 8 1 1 A 50 50 ASP C C 30 176.020 178.380 -2.360 1 1 355 . 8 1 1 A 50 50 ASP CA C 30 53.180 57.316 -4.136 1 1 356 . 8 1 1 A 50 50 ASP CB C 30 40.910 41.328 -0.418 1 1 357 . 8 1 1 A 50 50 ASP N N 30 119.790 118.449 1.341 1 1 358 . 8 1 1 A 51 51 ILE H H 31 8.700 8.233 0.467 1 1 359 . 8 1 1 A 51 51 ILE HA H 31 3.710 4.476 -0.766 1 1 369 . 8 1 1 A 51 51 ILE C C 31 178.070 178.861 -0.791 1 1 370 . 8 1 1 A 51 51 ILE CA C 31 60.750 58.287 2.463 1 1 371 . 8 1 1 A 51 51 ILE CB C 31 35.230 41.995 -6.765 1 1 375 . 8 1 1 A 51 51 ILE N N 31 125.270 120.607 4.663 1 1 376 . 8 1 1 A 52 52 LYS H H 32 8.030 8.203 -0.173 1 1 377 . 8 1 1 A 52 52 LYS HA H 32 4.340 3.951 0.389 1 1 386 . 8 1 1 A 52 52 LYS C C 32 179.540 179.142 0.398 1 1 387 . 8 1 1 A 52 52 LYS CA C 32 59.380 59.837 -0.457 1 1 388 . 8 1 1 A 52 52 LYS CB C 32 31.930 29.249 2.681 1 1 392 . 8 1 1 A 52 52 LYS N N 32 120.520 118.697 1.823 1 1 393 . 8 1 1 A 53 53 ASP H H 33 7.810 8.111 -0.301 1 1 394 . 8 1 1 A 53 53 ASP HA H 33 4.620 4.544 0.076 1 1 397 . 8 1 1 A 53 53 ASP C C 33 177.670 177.699 -0.029 1 1 398 . 8 1 1 A 53 53 ASP CA C 33 56.840 55.957 0.883 1 1 399 . 8 1 1 A 53 53 ASP CB C 33 41.220 38.555 2.665 1 1 400 . 8 1 1 A 53 53 ASP N N 33 120.590 117.381 3.209 1 1 401 . 8 1 1 A 54 54 PHE H H 34 7.660 7.776 -0.116 1 1 402 . 8 1 1 A 54 54 PHE HA H 34 3.100 3.997 -0.897 1 1 410 . 8 1 1 A 54 54 PHE C C 34 176.960 176.810 0.150 1 1 411 . 8 1 1 A 54 54 PHE CA C 34 60.670 59.534 1.136 1 1 412 . 8 1 1 A 54 54 PHE CB C 34 38.870 29.361 9.509 1 1 416 . 8 1 1 A 54 54 PHE N N 34 120.480 121.241 -0.761 1 1 417 . 8 1 1 A 55 55 GLN H H 35 8.860 8.237 0.623 1 1 418 . 8 1 1 A 55 55 GLN HA H 35 3.660 4.220 -0.560 1 1 425 . 8 1 1 A 55 55 GLN C C 35 178.510 177.495 1.015 1 1 426 . 8 1 1 A 55 55 GLN CA C 35 58.980 56.723 2.257 1 1 427 . 8 1 1 A 55 55 GLN CB C 35 29.450 38.705 -9.255 1 1 429 . 8 1 1 A 55 55 GLN N N 35 119.060 116.628 2.432 1 1 431 . 8 1 1 A 56 56 THR H H 36 8.150 8.254 -0.104 1 1 432 . 8 1 1 A 56 56 THR HA H 36 3.930 4.441 -0.511 1 1 437 . 8 1 1 A 56 56 THR C C 36 176.550 177.160 -0.610 1 1 438 . 8 1 1 A 56 56 THR CA C 36 66.070 56.038 10.032 1 1 439 . 8 1 1 A 56 56 THR CB C 36 69.030 38.901 30.129 1 1 441 . 8 1 1 A 56 56 THR N N 36 115.130 117.883 -2.753 1 1 442 . 8 1 1 A 57 57 GLN H H 37 8.230 7.607 0.623 1 1 443 . 8 1 1 A 57 57 GLN HA H 37 4.210 4.494 -0.284 1 1 450 . 8 1 1 A 57 57 GLN CA C 37 58.050 54.520 3.530 1 1 451 . 8 1 1 A 57 57 GLN CB C 37 28.290 41.168 -12.878 1 1 453 . 8 1 1 A 57 57 GLN N N 37 119.670 117.544 2.126 1 1 458 . 8 1 1 A 58 58 SER C C 38 174.020 174.968 -0.948 1 1 459 . 8 1 1 A 58 58 SER CA C 38 60.500 45.329 15.171 1 1 461 . 8 1 1 A 59 59 LEU H H 39 7.320 7.812 -0.492 1 1 465 . 8 1 1 A 59 59 LEU CA C 39 55.140 46.652 8.488 1 1 467 . 8 1 1 A 59 59 LEU N N 39 120.250 107.829 12.421 1 1 468 . 8 1 1 A 60 60 THR H H 40 7.510 8.793 -1.283 1 1 469 . 8 1 1 A 60 60 THR HA H 40 4.250 4.899 -0.649 1 1 474 . 8 1 1 A 60 60 THR C C 40 174.900 174.522 0.378 1 1 475 . 8 1 1 A 60 60 THR CA C 40 62.320 57.484 4.836 1 1 476 . 8 1 1 A 60 60 THR CB C 40 70.110 39.298 30.812 1 1 478 . 8 1 1 A 60 60 THR N N 40 112.820 125.813 -12.993 1 1 479 . 8 1 1 A 61 61 GLU H H 41 8.510 8.652 -0.142 1 1 480 . 8 1 1 A 61 61 GLU HA H 41 4.100 5.509 -1.409 1 1 485 . 8 1 1 A 61 61 GLU C C 41 176.720 175.590 1.130 1 1 486 . 8 1 1 A 61 61 GLU CA C 41 57.840 56.209 1.631 1 1 487 . 8 1 1 A 61 61 GLU CB C 41 29.840 32.858 -3.018 1 1 489 . 8 1 1 A 61 61 GLU N N 41 123.410 127.365 -3.955 1 1 490 . 8 1 1 A 62 62 ASN H H 42 8.600 8.819 -0.219 1 1 491 . 8 1 1 A 62 62 ASN HA H 42 4.580 4.817 -0.237 1 1 496 . 8 1 1 A 62 62 ASN C C 42 174.940 171.792 3.148 1 1 497 . 8 1 1 A 62 62 ASN CA C 42 53.760 60.336 -6.576 1 1 498 . 8 1 1 A 62 62 ASN CB C 42 38.130 71.707 -33.577 1 1 499 . 8 1 1 A 62 62 ASN N N 42 117.760 114.572 3.188 1 1 501 . 8 1 1 A 63 63 SER H H 43 7.800 8.980 -1.180 1 1 502 . 8 1 1 A 63 63 SER HA H 43 4.400 5.133 -0.733 1 1 505 . 8 1 1 A 63 63 SER C C 43 177.320 174.015 3.305 1 1 506 . 8 1 1 A 63 63 SER CA C 43 58.730 60.255 -1.525 1 1 507 . 8 1 1 A 63 63 SER CB C 43 64.210 33.885 30.325 1 1 508 . 8 1 1 A 63 63 SER N N 43 114.610 126.649 -12.039 1 1 509 . 8 1 1 A 64 64 ILE H H 44 8.710 8.919 -0.209 1 1 510 . 8 1 1 A 64 64 ILE HA H 44 4.180 4.523 -0.343 1 1 520 . 8 1 1 A 64 64 ILE C C 44 176.550 175.937 0.613 1 1 521 . 8 1 1 A 64 64 ILE CA C 44 63.280 60.445 2.835 1 1 522 . 8 1 1 A 64 64 ILE CB C 44 38.110 40.282 -2.172 1 1 526 . 8 1 1 A 64 64 ILE N N 44 125.240 129.869 -4.629 1 1 527 . 8 1 1 A 65 65 LEU H H 45 8.160 9.438 -1.278 1 1 528 . 8 1 1 A 65 65 LEU HA H 45 4.450 4.293 0.157 1 1 538 . 8 1 1 A 65 65 LEU C C 45 177.800 175.465 2.335 1 1 539 . 8 1 1 A 65 65 LEU CA C 45 54.820 55.122 -0.302 1 1 540 . 8 1 1 A 65 65 LEU CB C 45 41.790 39.789 2.001 1 1 544 . 8 1 1 A 65 65 LEU N N 45 118.980 127.953 -8.973 1 1 545 . 8 1 1 A 66 66 ALA H H 46 7.700 8.663 -0.963 1 1 550 . 8 1 1 A 66 66 ALA C C 46 179.870 173.793 6.077 1 1 551 . 8 1 1 A 66 66 ALA CA C 46 54.980 45.647 9.333 1 1 553 . 8 1 1 A 66 66 ALA N N 46 122.830 104.130 18.700 1 1 554 . 8 1 1 A 67 67 GLN H H 47 7.920 7.699 0.221 1 1 555 . 8 1 1 A 67 67 GLN HA H 47 4.110 4.718 -0.608 1 1 562 . 8 1 1 A 67 67 GLN C C 47 175.990 175.012 0.978 1 1 563 . 8 1 1 A 67 67 GLN CA C 47 57.170 54.117 3.053 1 1 564 . 8 1 1 A 67 67 GLN CB C 47 28.180 35.136 -6.956 1 1 566 . 8 1 1 A 67 67 GLN N N 47 115.030 120.274 -5.244 1 1 568 . 8 1 1 A 68 68 PHE H H 48 7.790 8.330 -0.540 1 1 569 . 8 1 1 A 68 68 PHE HA H 48 4.690 4.812 -0.122 1 1 576 . 8 1 1 A 68 68 PHE C C 48 175.620 174.159 1.461 1 1 577 . 8 1 1 A 68 68 PHE CA C 48 57.220 60.826 -3.606 1 1 578 . 8 1 1 A 68 68 PHE CB C 48 39.320 32.609 6.711 1 1 581 . 8 1 1 A 68 68 PHE N N 48 118.560 122.350 -3.790 1 1 582 . 8 1 1 A 69 69 ALA H H 49 7.600 9.162 -1.562 1 1 583 . 8 1 1 A 69 69 ALA HA H 49 4.120 5.411 -1.291 1 1 587 . 8 1 1 A 69 69 ALA C C 49 178.250 174.706 3.544 1 1 588 . 8 1 1 A 69 69 ALA CA C 49 53.920 56.545 -2.625 1 1 589 . 8 1 1 A 69 69 ALA CB C 49 18.660 42.710 -24.050 1 1 590 . 8 1 1 A 69 69 ALA N N 49 123.340 126.495 -3.155 1 1 591 . 8 1 1 A 70 70 GLY H H 50 8.500 8.259 0.241 1 1 594 . 8 1 1 A 70 70 GLY C C 50 174.070 176.131 -2.061 1 1 595 . 8 1 1 A 70 70 GLY CA C 50 45.390 52.886 -7.496 1 1 596 . 8 1 1 A 70 70 GLY N N 50 108.770 120.899 -12.129 1 1 597 . 8 1 1 A 71 71 GLU H H 51 7.800 8.847 -1.047 1 1 598 . 8 1 1 A 71 71 GLU HA H 51 4.430 4.343 0.087 1 1 603 . 8 1 1 A 71 71 GLU C C 51 176.220 176.927 -0.707 1 1 604 . 8 1 1 A 71 71 GLU CA C 51 55.430 61.403 -5.973 1 1 605 . 8 1 1 A 71 71 GLU CB C 51 30.980 39.223 -8.243 1 1 607 . 8 1 1 A 71 71 GLU N N 51 119.390 119.532 -0.142 1 1 608 . 8 1 1 A 72 72 ASP H H 52 8.830 7.847 0.983 1 1 609 . 8 1 1 A 72 72 ASP HA H 52 4.850 4.154 0.696 1 1 612 . 8 1 1 A 72 72 ASP CA C 52 52.110 59.918 -7.808 1 1 613 . 8 1 1 A 72 72 ASP CB C 52 42.070 32.126 9.944 1 1 614 . 8 1 1 A 72 72 ASP N N 52 123.830 123.320 0.510 1 1 615 . 8 1 1 A 73 73 PRO HA H 53 4.410 4.517 -0.107 1 1 622 . 8 1 1 A 73 73 PRO C C 53 177.290 178.617 -1.327 1 1 623 . 8 1 1 A 73 73 PRO CA C 53 64.940 57.431 7.509 1 1 624 . 8 1 1 A 73 73 PRO CB C 53 32.130 40.921 -8.791 1 1 627 . 8 1 1 A 74 74 VAL H H 54 7.950 8.440 -0.490 1 1 628 . 8 1 1 A 74 74 VAL HA H 54 3.360 3.887 -0.527 1 1 636 . 8 1 1 A 74 74 VAL C C 54 177.540 177.858 -0.318 1 1 637 . 8 1 1 A 74 74 VAL CA C 54 66.820 61.827 4.993 1 1 638 . 8 1 1 A 74 74 VAL CB C 54 31.310 38.994 -7.684 1 1 641 . 8 1 1 A 74 74 VAL N N 54 118.670 120.601 -1.931 1 1 642 . 8 1 1 A 75 75 VAL H H 55 7.090 8.640 -1.550 1 1 643 . 8 1 1 A 75 75 VAL HA H 55 3.620 4.072 -0.452 1 1 651 . 8 1 1 A 75 75 VAL C C 55 175.050 177.828 -2.778 1 1 652 . 8 1 1 A 75 75 VAL CA C 55 65.440 58.489 6.951 1 1 653 . 8 1 1 A 75 75 VAL CB C 55 32.210 27.544 4.666 1 1 656 . 8 1 1 A 75 75 VAL N N 55 120.340 117.709 2.631 1 1 657 . 8 1 1 A 76 76 ALA H H 56 8.050 7.515 0.535 1 1 658 . 8 1 1 A 76 76 ALA HA H 56 3.870 3.983 -0.113 1 1 662 . 8 1 1 A 76 76 ALA C C 56 178.160 177.416 0.744 1 1 663 . 8 1 1 A 76 76 ALA CA C 56 54.840 66.678 -11.838 1 1 664 . 8 1 1 A 76 76 ALA CB C 56 19.250 68.371 -49.121 1 1 665 . 8 1 1 A 76 76 ALA N N 56 121.910 118.759 3.151 1 1 666 . 8 1 1 A 77 77 LEU H H 57 7.720 7.600 0.120 1 1 667 . 8 1 1 A 77 77 LEU HA H 57 3.170 4.193 -1.023 1 1 677 . 8 1 1 A 77 77 LEU C C 57 178.010 178.557 -0.547 1 1 678 . 8 1 1 A 77 77 LEU CA C 57 58.260 58.267 -0.007 1 1 679 . 8 1 1 A 77 77 LEU CB C 57 39.970 27.878 12.092 1 1 683 . 8 1 1 A 77 77 LEU N N 57 120.030 120.323 -0.293 1 1 684 . 8 1 1 A 78 78 GLU H H 58 7.840 7.648 0.192 1 1 685 . 8 1 1 A 78 78 GLU HA H 58 3.510 4.322 -0.812 1 1 690 . 8 1 1 A 78 78 GLU C C 58 179.140 175.074 4.066 1 1 691 . 8 1 1 A 78 78 GLU CA C 58 60.290 60.648 -0.358 1 1 692 . 8 1 1 A 78 78 GLU CB C 58 29.420 63.124 -33.704 1 1 694 . 8 1 1 A 78 78 GLU N N 58 116.990 116.262 0.728 1 1 695 . 8 1 1 A 79 79 ALA H H 59 7.710 7.296 0.414 1 1 696 . 8 1 1 A 79 79 ALA HA H 59 3.940 4.295 -0.355 1 1 700 . 8 1 1 A 79 79 ALA C C 59 180.360 176.769 3.591 1 1 701 . 8 1 1 A 79 79 ALA CA C 59 54.790 55.251 -0.461 1 1 702 . 8 1 1 A 79 79 ALA CB C 59 17.930 41.644 -23.714 1 1 703 . 8 1 1 A 79 79 ALA N N 59 120.690 119.668 1.022 1 1 704 . 8 1 1 A 80 80 ALA H H 60 8.220 7.455 0.765 1 1 705 . 8 1 1 A 80 80 ALA HA H 60 3.970 4.306 -0.336 1 1 709 . 8 1 1 A 80 80 ALA C C 60 180.570 176.197 4.373 1 1 710 . 8 1 1 A 80 80 ALA CA C 60 54.160 63.631 -9.471 1 1 711 . 8 1 1 A 80 80 ALA CB C 60 18.830 68.690 -49.860 1 1 712 . 8 1 1 A 80 80 ALA N N 60 122.230 114.871 7.359 1 1 713 . 8 1 1 A 81 81 LEU H H 61 7.800 8.834 -1.034 1 1 714 . 8 1 1 A 81 81 LEU HA H 61 3.890 4.109 -0.219 1 1 724 . 8 1 1 A 81 81 LEU C C 61 177.590 176.784 0.806 1 1 725 . 8 1 1 A 81 81 LEU CA C 61 56.650 58.886 -2.236 1 1 726 . 8 1 1 A 81 81 LEU CB C 61 42.630 29.075 13.555 1 1 730 . 8 1 1 A 81 81 LEU N N 61 116.150 125.396 -9.246 1 1 731 . 8 1 1 A 82 82 GLN H H 62 7.450 7.951 -0.501 1 1 732 . 8 1 1 A 82 82 GLN HA H 62 4.250 4.933 -0.683 1 1 739 . 8 1 1 A 82 82 GLN C C 62 176.120 173.838 2.282 1 1 740 . 8 1 1 A 82 82 GLN CA C 62 55.880 52.304 3.576 1 1 741 . 8 1 1 A 82 82 GLN CB C 62 29.330 38.637 -9.307 1 1 743 . 8 1 1 A 82 82 GLN N N 62 115.740 117.899 -2.159 1 1 745 . 8 1 1 A 83 83 PHE H H 63 7.300 8.191 -0.891 1 1 746 . 8 1 1 A 83 83 PHE HA H 63 4.900 4.834 0.066 1 1 753 . 8 1 1 A 83 83 PHE C C 63 176.470 174.987 1.483 1 1 754 . 8 1 1 A 83 83 PHE CA C 63 56.260 56.408 -0.148 1 1 755 . 8 1 1 A 83 83 PHE CB C 63 39.000 66.119 -27.119 1 1 758 . 8 1 1 A 83 83 PHE N N 63 120.420 115.923 4.497 1 1 759 . 8 1 1 A 84 84 GLU H H 64 9.090 8.584 0.506 1 1 760 . 8 1 1 A 84 84 GLU HA H 64 3.850 3.859 -0.009 1 1 765 . 8 1 1 A 84 84 GLU C C 64 178.010 176.371 1.639 1 1 766 . 8 1 1 A 84 84 GLU CA C 64 59.910 63.717 -3.807 1 1 767 . 8 1 1 A 84 84 GLU CB C 64 29.640 37.844 -8.204 1 1 769 . 8 1 1 A 84 84 GLU N N 64 126.260 117.485 8.775 1 1 770 . 8 1 1 A 85 85 ASP H H 65 7.670 7.753 -0.083 1 1 771 . 8 1 1 A 85 85 ASP HA H 65 4.480 4.525 -0.045 1 1 774 . 8 1 1 A 85 85 ASP C C 65 177.530 178.055 -0.525 1 1 775 . 8 1 1 A 85 85 ASP CA C 65 56.290 55.601 0.689 1 1 776 . 8 1 1 A 85 85 ASP CB C 65 40.480 42.052 -1.572 1 1 777 . 8 1 1 A 85 85 ASP N N 65 114.070 121.887 -7.817 1 1 778 . 8 1 1 A 86 86 THR H H 66 7.560 7.556 0.004 1 1 779 . 8 1 1 A 86 86 THR HA H 66 4.530 3.983 0.547 1 1 784 . 8 1 1 A 86 86 THR C C 66 176.820 180.067 -3.247 1 1 785 . 8 1 1 A 86 86 THR CA C 66 62.380 55.026 7.354 1 1 786 . 8 1 1 A 86 86 THR CB C 66 70.200 17.998 52.202 1 1 788 . 8 1 1 A 86 86 THR N N 66 106.640 122.149 -15.509 1 1 789 . 8 1 1 A 87 87 ARG H H 67 8.100 8.253 -0.153 1 1 790 . 8 1 1 A 87 87 ARG HA H 67 4.020 4.038 -0.018 1 1 797 . 8 1 1 A 87 87 ARG C C 67 178.760 176.221 2.539 1 1 798 . 8 1 1 A 87 87 ARG CA C 67 61.140 57.519 3.621 1 1 799 . 8 1 1 A 87 87 ARG CB C 67 30.220 26.844 3.376 1 1 802 . 8 1 1 A 87 87 ARG N N 67 124.220 115.810 8.410 1 1 803 . 8 1 1 A 88 88 GLU H H 68 8.790 7.678 1.112 1 1 804 . 8 1 1 A 88 88 GLU HA H 68 4.090 4.670 -0.580 1 1 809 . 8 1 1 A 88 88 GLU C C 68 179.320 176.318 3.002 1 1 810 . 8 1 1 A 88 88 GLU CA C 68 59.150 57.455 1.695 1 1 811 . 8 1 1 A 88 88 GLU CB C 68 28.930 39.016 -10.086 1 1 813 . 8 1 1 A 88 88 GLU N N 68 118.790 117.955 0.835 1 1 814 . 8 1 1 A 89 89 SER H H 69 8.140 7.823 0.317 1 1 815 . 8 1 1 A 89 89 SER HA H 69 4.390 4.043 0.347 1 1 818 . 8 1 1 A 89 89 SER C C 69 176.100 179.742 -3.642 1 1 819 . 8 1 1 A 89 89 SER CA C 69 61.000 55.021 5.979 1 1 820 . 8 1 1 A 89 89 SER CB C 69 63.190 18.332 44.858 1 1 821 . 8 1 1 A 89 89 SER N N 69 115.570 123.291 -7.721 1 1 822 . 8 1 1 A 90 90 MET H H 70 7.690 8.326 -0.636 1 1 831 . 8 1 1 A 90 90 MET C C 70 177.990 173.802 4.188 1 1 832 . 8 1 1 A 90 90 MET CA C 70 55.140 45.580 9.560 1 1 836 . 8 1 1 A 90 90 MET N N 70 118.160 106.014 12.146 1 1 837 . 8 1 1 A 91 91 HIS H H 71 7.740 7.641 0.099 1 1 838 . 8 1 1 A 91 91 HIS HA H 71 4.430 4.673 -0.243 1 1 842 . 8 1 1 A 91 91 HIS C C 71 177.460 175.945 1.515 1 1 843 . 8 1 1 A 91 91 HIS CA C 71 58.830 55.266 3.564 1 1 844 . 8 1 1 A 91 91 HIS CB C 71 29.680 31.394 -1.714 1 1 846 . 8 1 1 A 91 91 HIS N N 71 118.990 121.439 -2.449 1 1 847 . 8 1 1 A 92 92 ALA H H 72 7.230 8.464 -1.234 1 1 848 . 8 1 1 A 92 92 ALA HA H 72 3.900 4.675 -0.775 1 1 852 . 8 1 1 A 92 92 ALA C C 72 177.850 176.767 1.083 1 1 853 . 8 1 1 A 92 92 ALA CA C 72 53.840 52.203 1.637 1 1 854 . 8 1 1 A 92 92 ALA CB C 72 18.250 41.682 -23.432 1 1 855 . 8 1 1 A 92 92 ALA N N 72 120.170 125.706 -5.536 1 1 857 . 8 1 1 A 93 93 PHE HA H 73 4.970 4.510 0.460 1 1 865 . 8 1 1 A 93 93 PHE C C 73 174.000 178.590 -4.590 1 1 866 . 8 1 1 A 93 93 PHE CA C 73 56.420 65.202 -8.782 1 1 867 . 8 1 1 A 93 93 PHE CB C 73 39.050 32.028 7.022 1 1 871 . 8 1 1 A 93 93 PHE N N 73 113.910 141.918 -28.008 1 1 872 . 8 1 1 A 94 94 CYS H H 74 7.690 6.826 0.864 1 1 873 . 8 1 1 A 94 94 CYS HA H 74 4.120 3.609 0.511 1 1 876 . 8 1 1 A 94 94 CYS C C 74 174.900 177.873 -2.973 1 1 877 . 8 1 1 A 94 94 CYS CA C 74 58.200 64.988 -6.788 1 1 878 . 8 1 1 A 94 94 CYS CB C 74 27.320 31.470 -4.150 1 1 879 . 8 1 1 A 94 94 CYS N N 74 121.190 116.661 4.529 1 1 880 . 8 1 1 A 95 95 VAL H H 75 8.770 8.056 0.714 1 1 881 . 8 1 1 A 95 95 VAL HA H 75 3.820 3.608 0.212 1 1 889 . 8 1 1 A 95 95 VAL C C 75 175.640 177.937 -2.297 1 1 890 . 8 1 1 A 95 95 VAL CA C 75 62.250 66.005 -3.755 1 1 891 . 8 1 1 A 95 95 VAL CB C 75 32.280 31.335 0.945 1 1 894 . 8 1 1 A 95 95 VAL N N 75 128.310 120.840 7.470 1 1 895 . 8 1 1 A 96 96 GLY H H 76 7.130 8.060 -0.930 1 1 898 . 8 1 1 A 96 96 GLY C C 76 171.220 179.826 -8.606 1 1 899 . 8 1 1 A 96 96 GLY CA C 76 44.940 55.083 -10.143 1 1 900 . 8 1 1 A 96 96 GLY N N 76 105.330 121.792 -16.462 1 1 901 . 8 1 1 A 97 97 GLN H H 77 8.590 7.859 0.731 1 1 902 . 8 1 1 A 97 97 GLN HA H 77 4.460 3.805 0.655 1 1 909 . 8 1 1 A 97 97 GLN C C 77 174.070 178.535 -4.465 1 1 910 . 8 1 1 A 97 97 GLN CA C 77 54.860 57.438 -2.578 1 1 911 . 8 1 1 A 97 97 GLN CB C 77 30.820 41.359 -10.539 1 1 913 . 8 1 1 A 97 97 GLN N N 77 120.500 121.338 -0.838 1 1 915 . 8 1 1 A 98 98 TYR H H 78 8.440 7.981 0.459 1 1 916 . 8 1 1 A 98 98 TYR HA H 78 4.960 3.882 1.078 1 1 923 . 8 1 1 A 98 98 TYR C C 78 174.460 179.110 -4.650 1 1 924 . 8 1 1 A 98 98 TYR CA C 78 56.660 59.357 -2.697 1 1 925 . 8 1 1 A 98 98 TYR CB C 78 40.450 29.394 11.056 1 1 928 . 8 1 1 A 98 98 TYR N N 78 125.460 118.397 7.063 1 1 929 . 8 1 1 A 99 99 LEU H H 79 8.100 7.791 0.309 1 1 930 . 8 1 1 A 99 99 LEU HA H 79 4.360 4.033 0.327 1 1 940 . 8 1 1 A 99 99 LEU C C 79 173.790 180.245 -6.455 1 1 941 . 8 1 1 A 99 99 LEU CA C 79 53.110 54.587 -1.477 1 1 942 . 8 1 1 A 99 99 LEU CB C 79 43.200 17.712 25.488 1 1 946 . 8 1 1 A 99 99 LEU N N 79 131.670 123.072 8.598 1 1 947 . 8 1 1 A 100 100 GLU H H 80 8.160 7.483 0.677 1 1 948 . 8 1 1 A 100 100 GLU HA H 80 4.140 4.418 -0.278 1 1 953 . 8 1 1 A 100 100 GLU CA C 80 54.540 54.680 -0.140 1 1 954 . 8 1 1 A 100 100 GLU CB C 80 29.270 18.535 10.735 1 1 956 . 8 1 1 A 100 100 GLU N N 80 125.120 120.426 4.694 1 1 957 . 8 1 1 A 101 101 PRO HA H 81 4.380 4.024 0.356 1 1 964 . 8 1 1 A 101 101 PRO C C 81 177.370 179.177 -1.807 1 1 965 . 8 1 1 A 101 101 PRO CA C 81 64.050 57.421 6.629 1 1 966 . 8 1 1 A 101 101 PRO CB C 81 32.130 41.347 -9.217 1 1 969 . 8 1 1 A 102 102 ASP H H 82 8.430 7.830 0.600 1 1 970 . 8 1 1 A 102 102 ASP HA H 82 4.550 4.115 0.435 1 1 973 . 8 1 1 A 102 102 ASP C C 82 176.950 176.639 0.311 1 1 974 . 8 1 1 A 102 102 ASP CA C 82 54.680 58.737 -4.057 1 1 975 . 8 1 1 A 102 102 ASP CB C 82 40.630 29.569 11.061 1 1 976 . 8 1 1 A 102 102 ASP N N 82 118.470 118.363 0.107 1 1 977 . 8 1 1 A 103 103 GLN H H 83 8.230 7.709 0.521 1 1 978 . 8 1 1 A 103 103 GLN HA H 83 4.340 4.754 -0.414 1 1 985 . 8 1 1 A 103 103 GLN C C 83 176.210 176.887 -0.677 1 1 986 . 8 1 1 A 103 103 GLN CA C 83 55.640 58.330 -2.690 1 1 987 . 8 1 1 A 103 103 GLN CB C 83 29.630 40.139 -10.509 1 1 989 . 8 1 1 A 103 103 GLN N N 83 119.650 120.404 -0.754 1 1 991 . 8 1 1 A 104 104 GLU H H 84 8.250 8.305 -0.055 1 1 992 . 8 1 1 A 104 104 GLU HA H 84 4.220 3.969 0.251 1 1 997 . 8 1 1 A 104 104 GLU C C 84 177.100 178.331 -1.231 1 1 998 . 8 1 1 A 104 104 GLU CA C 84 57.220 59.146 -1.926 1 1 999 . 8 1 1 A 104 104 GLU CB C 84 30.320 28.762 1.558 1 1 1001 . 8 1 1 A 104 104 GLU N N 84 121.670 125.306 -3.636 1 1 1002 . 8 1 1 A 105 105 GLY H H 85 8.450 7.431 1.019 1 1 1005 . 8 1 1 A 105 105 GLY C C 85 174.000 178.039 -4.039 1 1 1006 . 8 1 1 A 105 105 GLY CA C 85 45.410 57.373 -11.963 1 1 1007 . 8 1 1 A 105 105 GLY N N 85 109.870 120.409 -10.539 1 1 1008 . 8 1 1 A 106 106 VAL H H 86 7.900 8.368 -0.468 1 1 1009 . 8 1 1 A 106 106 VAL HA H 86 4.190 4.293 -0.103 1 1 1017 . 8 1 1 A 106 106 VAL C C 86 176.300 176.487 -0.187 1 1 1018 . 8 1 1 A 106 106 VAL CA C 86 62.190 65.091 -2.901 1 1 1019 . 8 1 1 A 106 106 VAL CB C 86 32.860 68.775 -35.915 1 1 1022 . 8 1 1 A 106 106 VAL N N 86 119.330 114.077 5.253 1 1 1023 . 8 1 1 A 107 107 THR H H 87 8.320 8.515 -0.195 1 1 1024 . 8 1 1 A 107 107 THR HA H 87 4.350 4.175 0.175 1 1 1029 . 8 1 1 A 107 107 THR C C 87 174.050 177.592 -3.542 1 1 1030 . 8 1 1 A 107 107 THR CA C 87 61.870 58.388 3.482 1 1 1031 . 8 1 1 A 107 107 THR CB C 87 69.910 30.079 39.831 1 1 1033 . 8 1 1 A 107 107 THR N N 87 119.480 121.360 -1.880 1 1 1034 . 8 1 1 A 108 108 ILE H H 88 8.360 8.227 0.133 1 1 1035 . 8 1 1 A 108 108 ILE HA H 88 4.470 4.182 0.288 1 1 1045 . 8 1 1 A 108 108 ILE CA C 88 58.410 59.045 -0.635 1 1 1046 . 8 1 1 A 108 108 ILE CB C 88 38.530 29.190 9.340 1 1 1050 . 8 1 1 A 108 108 ILE N N 88 126.140 119.077 7.063 1 1 1051 . 8 1 1 A 109 109 PRO HA H 89 4.380 4.341 0.039 1 1 1058 . 8 1 1 A 109 109 PRO C C 89 176.290 176.853 -0.563 1 1 1059 . 8 1 1 A 109 109 PRO CA C 89 63.210 61.353 1.857 1 1 1060 . 8 1 1 A 109 109 PRO CB C 89 32.220 63.227 -31.007 1 1 1063 . 8 1 1 A 110 110 ASP H H 90 8.370 8.284 0.086 1 1 1064 . 8 1 1 A 110 110 ASP HA H 90 4.580 4.857 -0.277 1 1 1067 . 8 1 1 A 110 110 ASP C C 90 176.200 178.821 -2.621 1 1 1068 . 8 1 1 A 110 110 ASP CA C 90 54.290 57.971 -3.681 1 1 1069 . 8 1 1 A 110 110 ASP CB C 90 41.120 31.607 9.513 1 1 1070 . 8 1 1 A 110 110 ASP N N 90 120.470 119.868 0.602 1 1 1071 . 8 1 1 A 111 111 LEU H H 91 8.250 8.357 -0.107 1 1 1072 . 8 1 1 A 111 111 LEU HA H 91 4.370 4.293 0.077 1 1 1081 . 8 1 1 A 111 111 LEU C C 91 177.040 177.818 -0.778 1 1 1082 . 8 1 1 A 111 111 LEU CA C 91 55.060 59.223 -4.163 1 1 1083 . 8 1 1 A 111 111 LEU CB C 91 42.290 29.601 12.689 1 1 1086 . 8 1 1 A 111 111 LEU N N 91 123.570 120.663 2.907 1 1 1087 . 8 1 1 A 112 112 GLY H H 92 8.080 7.899 0.181 1 1 1090 . 8 1 1 A 112 112 GLY CA C 92 46.190 54.849 -8.659 1 1 246 . 9 1 1 A 42 42 THR H H 22 8.820 7.633 1.187 1 1 247 . 9 1 1 A 42 42 THR HA H 22 4.800 4.472 0.328 1 1 252 . 9 1 1 A 42 42 THR C C 22 170.950 175.689 -4.739 1 1 253 . 9 1 1 A 42 42 THR CA C 22 60.870 56.118 4.752 1 1 254 . 9 1 1 A 42 42 THR CB C 22 71.510 33.230 38.280 1 1 256 . 9 1 1 A 42 42 THR N N 22 116.000 116.405 -0.405 1 1 257 . 9 1 1 A 43 43 VAL H H 23 8.140 8.522 -0.382 1 1 258 . 9 1 1 A 43 43 VAL HA H 23 4.830 4.752 0.078 1 1 266 . 9 1 1 A 43 43 VAL C C 23 176.470 173.863 2.607 1 1 267 . 9 1 1 A 43 43 VAL CA C 23 61.540 60.032 1.508 1 1 268 . 9 1 1 A 43 43 VAL CB C 23 32.270 35.684 -3.414 1 1 271 . 9 1 1 A 43 43 VAL N N 23 125.850 119.987 5.863 1 1 272 . 9 1 1 A 44 44 ILE H H 24 9.350 8.823 0.527 1 1 273 . 9 1 1 A 44 44 ILE HA H 24 4.220 4.529 -0.309 1 1 283 . 9 1 1 A 44 44 ILE C C 24 176.050 173.929 2.121 1 1 284 . 9 1 1 A 44 44 ILE CA C 24 60.880 62.689 -1.809 1 1 285 . 9 1 1 A 44 44 ILE CB C 24 40.830 69.038 -28.208 1 1 289 . 9 1 1 A 44 44 ILE N N 24 128.460 123.141 5.319 1 1 290 . 9 1 1 A 45 45 ASP H H 25 9.450 9.184 0.266 1 1 291 . 9 1 1 A 45 45 ASP HA H 25 4.320 5.038 -0.718 1 1 294 . 9 1 1 A 45 45 ASP C C 25 176.060 175.767 0.293 1 1 295 . 9 1 1 A 45 45 ASP CA C 25 55.170 53.668 1.502 1 1 296 . 9 1 1 A 45 45 ASP CB C 25 39.870 41.782 -1.912 1 1 297 . 9 1 1 A 45 45 ASP N N 25 129.730 128.333 1.397 1 1 298 . 9 1 1 A 46 46 GLY H H 26 8.360 8.879 -0.519 1 1 301 . 9 1 1 A 46 46 GLY C C 26 173.150 175.330 -2.180 1 1 302 . 9 1 1 A 46 46 GLY CA C 26 46.190 61.770 -15.580 1 1 303 . 9 1 1 A 46 46 GLY N N 26 102.380 125.351 -22.971 1 1 304 . 9 1 1 A 47 47 LYS H H 27 8.000 8.605 -0.605 1 1 305 . 9 1 1 A 47 47 LYS HA H 27 4.780 4.611 0.169 1 1 314 . 9 1 1 A 47 47 LYS C C 27 177.050 177.118 -0.068 1 1 315 . 9 1 1 A 47 47 LYS CA C 27 54.870 55.442 -0.572 1 1 316 . 9 1 1 A 47 47 LYS CB C 27 36.020 31.684 4.336 1 1 320 . 9 1 1 A 47 47 LYS N N 27 121.330 128.372 -7.042 1 1 321 . 9 1 1 A 48 48 VAL H H 28 8.160 8.519 -0.359 1 1 322 . 9 1 1 A 48 48 VAL HA H 28 4.450 4.144 0.306 1 1 330 . 9 1 1 A 48 48 VAL C C 28 174.640 177.889 -3.249 1 1 331 . 9 1 1 A 48 48 VAL CA C 28 60.800 64.744 -3.944 1 1 332 . 9 1 1 A 48 48 VAL CB C 28 32.310 37.708 -5.398 1 1 335 . 9 1 1 A 48 48 VAL N N 28 119.880 126.363 -6.483 1 1 336 . 9 1 1 A 49 49 TYR H H 29 9.130 8.565 0.565 1 1 337 . 9 1 1 A 49 49 TYR HA H 29 5.200 4.076 1.124 1 1 344 . 9 1 1 A 49 49 TYR C C 29 174.540 179.028 -4.488 1 1 345 . 9 1 1 A 49 49 TYR CA C 29 56.640 55.965 0.675 1 1 346 . 9 1 1 A 49 49 TYR CB C 29 43.420 18.489 24.931 1 1 349 . 9 1 1 A 49 49 TYR N N 29 124.890 123.351 1.539 1 1 350 . 9 1 1 A 50 50 ASP H H 30 9.000 8.230 0.770 1 1 351 . 9 1 1 A 50 50 ASP HA H 30 5.330 4.411 0.919 1 1 354 . 9 1 1 A 50 50 ASP C C 30 176.020 178.348 -2.328 1 1 355 . 9 1 1 A 50 50 ASP CA C 30 53.180 57.207 -4.027 1 1 356 . 9 1 1 A 50 50 ASP CB C 30 40.910 41.481 -0.571 1 1 357 . 9 1 1 A 50 50 ASP N N 30 119.790 118.339 1.451 1 1 358 . 9 1 1 A 51 51 ILE H H 31 8.700 8.076 0.624 1 1 359 . 9 1 1 A 51 51 ILE HA H 31 3.710 4.491 -0.781 1 1 369 . 9 1 1 A 51 51 ILE C C 31 178.070 178.844 -0.774 1 1 370 . 9 1 1 A 51 51 ILE CA C 31 60.750 58.051 2.699 1 1 371 . 9 1 1 A 51 51 ILE CB C 31 35.230 42.129 -6.899 1 1 375 . 9 1 1 A 51 51 ILE N N 31 125.270 120.906 4.364 1 1 376 . 9 1 1 A 52 52 LYS H H 32 8.030 8.178 -0.148 1 1 377 . 9 1 1 A 52 52 LYS HA H 32 4.340 4.011 0.329 1 1 386 . 9 1 1 A 52 52 LYS C C 32 179.540 179.083 0.457 1 1 387 . 9 1 1 A 52 52 LYS CA C 32 59.380 59.703 -0.323 1 1 388 . 9 1 1 A 52 52 LYS CB C 32 31.930 29.343 2.587 1 1 392 . 9 1 1 A 52 52 LYS N N 32 120.520 119.170 1.350 1 1 393 . 9 1 1 A 53 53 ASP H H 33 7.810 8.163 -0.353 1 1 394 . 9 1 1 A 53 53 ASP HA H 33 4.620 4.482 0.138 1 1 397 . 9 1 1 A 53 53 ASP C C 33 177.670 177.789 -0.119 1 1 398 . 9 1 1 A 53 53 ASP CA C 33 56.840 56.157 0.683 1 1 399 . 9 1 1 A 53 53 ASP CB C 33 41.220 38.092 3.128 1 1 400 . 9 1 1 A 53 53 ASP N N 33 120.590 118.428 2.162 1 1 401 . 9 1 1 A 54 54 PHE H H 34 7.660 7.841 -0.181 1 1 402 . 9 1 1 A 54 54 PHE HA H 34 3.100 3.996 -0.896 1 1 410 . 9 1 1 A 54 54 PHE C C 34 176.960 176.691 0.269 1 1 411 . 9 1 1 A 54 54 PHE CA C 34 60.670 59.814 0.856 1 1 412 . 9 1 1 A 54 54 PHE CB C 34 38.870 29.293 9.577 1 1 416 . 9 1 1 A 54 54 PHE N N 34 120.480 120.842 -0.362 1 1 417 . 9 1 1 A 55 55 GLN H H 35 8.860 7.902 0.958 1 1 418 . 9 1 1 A 55 55 GLN HA H 35 3.660 4.472 -0.812 1 1 425 . 9 1 1 A 55 55 GLN C C 35 178.510 177.163 1.347 1 1 426 . 9 1 1 A 55 55 GLN CA C 35 58.980 56.647 2.333 1 1 427 . 9 1 1 A 55 55 GLN CB C 35 29.450 39.591 -10.141 1 1 429 . 9 1 1 A 55 55 GLN N N 35 119.060 116.385 2.675 1 1 431 . 9 1 1 A 56 56 THR H H 36 8.150 7.391 0.759 1 1 432 . 9 1 1 A 56 56 THR HA H 36 3.930 4.517 -0.587 1 1 437 . 9 1 1 A 56 56 THR C C 36 176.550 177.320 -0.770 1 1 438 . 9 1 1 A 56 56 THR CA C 36 66.070 54.905 11.165 1 1 439 . 9 1 1 A 56 56 THR CB C 36 69.030 38.526 30.504 1 1 441 . 9 1 1 A 56 56 THR N N 36 115.130 115.375 -0.245 1 1 442 . 9 1 1 A 57 57 GLN H H 37 8.230 7.575 0.655 1 1 443 . 9 1 1 A 57 57 GLN HA H 37 4.210 4.495 -0.285 1 1 450 . 9 1 1 A 57 57 GLN CA C 37 58.050 54.498 3.552 1 1 451 . 9 1 1 A 57 57 GLN CB C 37 28.290 41.080 -12.790 1 1 453 . 9 1 1 A 57 57 GLN N N 37 119.670 117.357 2.313 1 1 458 . 9 1 1 A 58 58 SER C C 38 174.020 175.078 -1.058 1 1 459 . 9 1 1 A 58 58 SER CA C 38 60.500 45.445 15.055 1 1 461 . 9 1 1 A 59 59 LEU H H 39 7.320 7.833 -0.513 1 1 465 . 9 1 1 A 59 59 LEU CA C 39 55.140 46.102 9.038 1 1 467 . 9 1 1 A 59 59 LEU N N 39 120.250 107.845 12.405 1 1 468 . 9 1 1 A 60 60 THR H H 40 7.510 9.154 -1.644 1 1 469 . 9 1 1 A 60 60 THR HA H 40 4.250 5.047 -0.797 1 1 474 . 9 1 1 A 60 60 THR C C 40 174.900 174.485 0.415 1 1 475 . 9 1 1 A 60 60 THR CA C 40 62.320 58.109 4.211 1 1 476 . 9 1 1 A 60 60 THR CB C 40 70.110 39.344 30.766 1 1 478 . 9 1 1 A 60 60 THR N N 40 112.820 126.228 -13.408 1 1 479 . 9 1 1 A 61 61 GLU H H 41 8.510 8.695 -0.185 1 1 480 . 9 1 1 A 61 61 GLU HA H 41 4.100 5.588 -1.488 1 1 485 . 9 1 1 A 61 61 GLU C C 41 176.720 175.384 1.336 1 1 486 . 9 1 1 A 61 61 GLU CA C 41 57.840 55.805 2.035 1 1 487 . 9 1 1 A 61 61 GLU CB C 41 29.840 33.031 -3.191 1 1 489 . 9 1 1 A 61 61 GLU N N 41 123.410 127.206 -3.796 1 1 490 . 9 1 1 A 62 62 ASN H H 42 8.600 8.460 0.140 1 1 491 . 9 1 1 A 62 62 ASN HA H 42 4.580 4.925 -0.345 1 1 496 . 9 1 1 A 62 62 ASN C C 42 174.940 171.717 3.223 1 1 497 . 9 1 1 A 62 62 ASN CA C 42 53.760 60.103 -6.343 1 1 498 . 9 1 1 A 62 62 ASN CB C 42 38.130 71.713 -33.583 1 1 499 . 9 1 1 A 62 62 ASN N N 42 117.760 115.027 2.733 1 1 501 . 9 1 1 A 63 63 SER H H 43 7.800 8.698 -0.898 1 1 502 . 9 1 1 A 63 63 SER HA H 43 4.400 5.018 -0.618 1 1 505 . 9 1 1 A 63 63 SER C C 43 177.320 174.290 3.030 1 1 506 . 9 1 1 A 63 63 SER CA C 43 58.730 60.267 -1.537 1 1 507 . 9 1 1 A 63 63 SER CB C 43 64.210 32.859 31.351 1 1 508 . 9 1 1 A 63 63 SER N N 43 114.610 125.164 -10.554 1 1 509 . 9 1 1 A 64 64 ILE H H 44 8.710 8.636 0.074 1 1 510 . 9 1 1 A 64 64 ILE HA H 44 4.180 4.495 -0.315 1 1 520 . 9 1 1 A 64 64 ILE C C 44 176.550 175.950 0.600 1 1 521 . 9 1 1 A 64 64 ILE CA C 44 63.280 60.145 3.135 1 1 522 . 9 1 1 A 64 64 ILE CB C 44 38.110 40.606 -2.496 1 1 526 . 9 1 1 A 64 64 ILE N N 44 125.240 128.975 -3.735 1 1 527 . 9 1 1 A 65 65 LEU H H 45 8.160 9.510 -1.350 1 1 528 . 9 1 1 A 65 65 LEU HA H 45 4.450 4.311 0.139 1 1 538 . 9 1 1 A 65 65 LEU C C 45 177.800 175.484 2.316 1 1 539 . 9 1 1 A 65 65 LEU CA C 45 54.820 55.148 -0.328 1 1 540 . 9 1 1 A 65 65 LEU CB C 45 41.790 39.826 1.964 1 1 544 . 9 1 1 A 65 65 LEU N N 45 118.980 128.007 -9.027 1 1 545 . 9 1 1 A 66 66 ALA H H 46 7.700 8.716 -1.016 1 1 550 . 9 1 1 A 66 66 ALA C C 46 179.870 173.779 6.091 1 1 551 . 9 1 1 A 66 66 ALA CA C 46 54.980 45.408 9.572 1 1 553 . 9 1 1 A 66 66 ALA N N 46 122.830 104.128 18.702 1 1 554 . 9 1 1 A 67 67 GLN H H 47 7.920 7.879 0.041 1 1 555 . 9 1 1 A 67 67 GLN HA H 47 4.110 4.538 -0.428 1 1 562 . 9 1 1 A 67 67 GLN C C 47 175.990 175.514 0.476 1 1 563 . 9 1 1 A 67 67 GLN CA C 47 57.170 54.650 2.520 1 1 564 . 9 1 1 A 67 67 GLN CB C 47 28.180 34.099 -5.919 1 1 566 . 9 1 1 A 67 67 GLN N N 47 115.030 120.247 -5.217 1 1 568 . 9 1 1 A 68 68 PHE H H 48 7.790 8.118 -0.328 1 1 569 . 9 1 1 A 68 68 PHE HA H 48 4.690 4.920 -0.230 1 1 576 . 9 1 1 A 68 68 PHE C C 48 175.620 174.390 1.230 1 1 577 . 9 1 1 A 68 68 PHE CA C 48 57.220 60.842 -3.622 1 1 578 . 9 1 1 A 68 68 PHE CB C 48 39.320 33.258 6.062 1 1 581 . 9 1 1 A 68 68 PHE N N 48 118.560 120.136 -1.576 1 1 582 . 9 1 1 A 69 69 ALA H H 49 7.600 8.806 -1.206 1 1 583 . 9 1 1 A 69 69 ALA HA H 49 4.120 5.464 -1.344 1 1 587 . 9 1 1 A 69 69 ALA C C 49 178.250 174.400 3.850 1 1 588 . 9 1 1 A 69 69 ALA CA C 49 53.920 55.741 -1.821 1 1 589 . 9 1 1 A 69 69 ALA CB C 49 18.660 41.441 -22.781 1 1 590 . 9 1 1 A 69 69 ALA N N 49 123.340 125.701 -2.361 1 1 591 . 9 1 1 A 70 70 GLY H H 50 8.500 8.758 -0.258 1 1 594 . 9 1 1 A 70 70 GLY C C 50 174.070 176.854 -2.784 1 1 595 . 9 1 1 A 70 70 GLY CA C 50 45.390 52.739 -7.349 1 1 596 . 9 1 1 A 70 70 GLY N N 50 108.770 124.021 -15.251 1 1 597 . 9 1 1 A 71 71 GLU H H 51 7.800 8.809 -1.009 1 1 598 . 9 1 1 A 71 71 GLU HA H 51 4.430 4.015 0.415 1 1 603 . 9 1 1 A 71 71 GLU C C 51 176.220 178.150 -1.930 1 1 604 . 9 1 1 A 71 71 GLU CA C 51 55.430 64.871 -9.441 1 1 605 . 9 1 1 A 71 71 GLU CB C 51 30.980 37.465 -6.485 1 1 607 . 9 1 1 A 71 71 GLU N N 51 119.390 126.072 -6.682 1 1 608 . 9 1 1 A 72 72 ASP H H 52 8.830 7.878 0.952 1 1 609 . 9 1 1 A 72 72 ASP HA H 52 4.850 4.095 0.755 1 1 612 . 9 1 1 A 72 72 ASP CA C 52 52.110 60.079 -7.969 1 1 613 . 9 1 1 A 72 72 ASP CB C 52 42.070 32.201 9.869 1 1 614 . 9 1 1 A 72 72 ASP N N 52 123.830 122.991 0.839 1 1 615 . 9 1 1 A 73 73 PRO HA H 53 4.410 4.464 -0.054 1 1 622 . 9 1 1 A 73 73 PRO C C 53 177.290 178.665 -1.375 1 1 623 . 9 1 1 A 73 73 PRO CA C 53 64.940 57.361 7.579 1 1 624 . 9 1 1 A 73 73 PRO CB C 53 32.130 40.938 -8.808 1 1 627 . 9 1 1 A 74 74 VAL H H 54 7.950 8.442 -0.492 1 1 628 . 9 1 1 A 74 74 VAL HA H 54 3.360 4.397 -1.037 1 1 636 . 9 1 1 A 74 74 VAL C C 54 177.540 177.735 -0.195 1 1 637 . 9 1 1 A 74 74 VAL CA C 54 66.820 62.352 4.468 1 1 638 . 9 1 1 A 74 74 VAL CB C 54 31.310 39.425 -8.115 1 1 641 . 9 1 1 A 74 74 VAL N N 54 118.670 120.783 -2.113 1 1 642 . 9 1 1 A 75 75 VAL H H 55 7.090 8.310 -1.220 1 1 643 . 9 1 1 A 75 75 VAL HA H 55 3.620 4.557 -0.937 1 1 651 . 9 1 1 A 75 75 VAL C C 55 175.050 178.819 -3.769 1 1 652 . 9 1 1 A 75 75 VAL CA C 55 65.440 58.995 6.445 1 1 653 . 9 1 1 A 75 75 VAL CB C 55 32.210 28.558 3.652 1 1 656 . 9 1 1 A 75 75 VAL N N 55 120.340 117.981 2.359 1 1 657 . 9 1 1 A 76 76 ALA H H 56 8.050 7.756 0.294 1 1 658 . 9 1 1 A 76 76 ALA HA H 56 3.870 3.853 0.017 1 1 662 . 9 1 1 A 76 76 ALA C C 56 178.160 177.137 1.023 1 1 663 . 9 1 1 A 76 76 ALA CA C 56 54.840 67.104 -12.264 1 1 664 . 9 1 1 A 76 76 ALA CB C 56 19.250 68.434 -49.184 1 1 665 . 9 1 1 A 76 76 ALA N N 56 121.910 118.001 3.909 1 1 666 . 9 1 1 A 77 77 LEU H H 57 7.720 7.821 -0.101 1 1 667 . 9 1 1 A 77 77 LEU HA H 57 3.170 4.197 -1.027 1 1 677 . 9 1 1 A 77 77 LEU C C 57 178.010 177.857 0.153 1 1 678 . 9 1 1 A 77 77 LEU CA C 57 58.260 58.185 0.075 1 1 679 . 9 1 1 A 77 77 LEU CB C 57 39.970 27.872 12.098 1 1 683 . 9 1 1 A 77 77 LEU N N 57 120.030 119.971 0.059 1 1 684 . 9 1 1 A 78 78 GLU H H 58 7.840 7.954 -0.114 1 1 685 . 9 1 1 A 78 78 GLU HA H 58 3.510 4.362 -0.852 1 1 690 . 9 1 1 A 78 78 GLU C C 58 179.140 176.832 2.308 1 1 691 . 9 1 1 A 78 78 GLU CA C 58 60.290 60.483 -0.193 1 1 692 . 9 1 1 A 78 78 GLU CB C 58 29.420 63.143 -33.723 1 1 694 . 9 1 1 A 78 78 GLU N N 58 116.990 115.491 1.499 1 1 695 . 9 1 1 A 79 79 ALA H H 59 7.710 7.754 -0.044 1 1 696 . 9 1 1 A 79 79 ALA HA H 59 3.940 4.179 -0.239 1 1 700 . 9 1 1 A 79 79 ALA C C 59 180.360 177.587 2.773 1 1 701 . 9 1 1 A 79 79 ALA CA C 59 54.790 57.719 -2.929 1 1 702 . 9 1 1 A 79 79 ALA CB C 59 17.930 41.811 -23.881 1 1 703 . 9 1 1 A 79 79 ALA N N 59 120.690 123.474 -2.784 1 1 704 . 9 1 1 A 80 80 ALA H H 60 8.220 7.656 0.564 1 1 705 . 9 1 1 A 80 80 ALA HA H 60 3.970 4.362 -0.392 1 1 709 . 9 1 1 A 80 80 ALA C C 60 180.570 175.081 5.489 1 1 710 . 9 1 1 A 80 80 ALA CA C 60 54.160 62.099 -7.939 1 1 711 . 9 1 1 A 80 80 ALA CB C 60 18.830 69.584 -50.754 1 1 712 . 9 1 1 A 80 80 ALA N N 60 122.230 113.550 8.680 1 1 713 . 9 1 1 A 81 81 LEU H H 61 7.800 8.930 -1.130 1 1 714 . 9 1 1 A 81 81 LEU HA H 61 3.890 3.981 -0.091 1 1 724 . 9 1 1 A 81 81 LEU C C 61 177.590 176.561 1.029 1 1 725 . 9 1 1 A 81 81 LEU CA C 61 56.650 59.276 -2.626 1 1 726 . 9 1 1 A 81 81 LEU CB C 61 42.630 30.235 12.395 1 1 730 . 9 1 1 A 81 81 LEU N N 61 116.150 125.258 -9.108 1 1 731 . 9 1 1 A 82 82 GLN H H 62 7.450 8.018 -0.568 1 1 732 . 9 1 1 A 82 82 GLN HA H 62 4.250 4.874 -0.624 1 1 739 . 9 1 1 A 82 82 GLN C C 62 176.120 174.506 1.614 1 1 740 . 9 1 1 A 82 82 GLN CA C 62 55.880 52.526 3.354 1 1 741 . 9 1 1 A 82 82 GLN CB C 62 29.330 38.897 -9.567 1 1 743 . 9 1 1 A 82 82 GLN N N 62 115.740 115.725 0.015 1 1 745 . 9 1 1 A 83 83 PHE H H 63 7.300 8.552 -1.252 1 1 746 . 9 1 1 A 83 83 PHE HA H 63 4.900 5.069 -0.169 1 1 753 . 9 1 1 A 83 83 PHE C C 63 176.470 173.826 2.644 1 1 754 . 9 1 1 A 83 83 PHE CA C 63 56.260 56.811 -0.551 1 1 755 . 9 1 1 A 83 83 PHE CB C 63 39.000 64.554 -25.554 1 1 758 . 9 1 1 A 83 83 PHE N N 63 120.420 118.920 1.500 1 1 759 . 9 1 1 A 84 84 GLU H H 64 9.090 8.586 0.504 1 1 760 . 9 1 1 A 84 84 GLU HA H 64 3.850 3.941 -0.091 1 1 765 . 9 1 1 A 84 84 GLU C C 64 178.010 176.442 1.568 1 1 766 . 9 1 1 A 84 84 GLU CA C 64 59.910 63.773 -3.863 1 1 767 . 9 1 1 A 84 84 GLU CB C 64 29.640 37.821 -8.181 1 1 769 . 9 1 1 A 84 84 GLU N N 64 126.260 123.626 2.634 1 1 770 . 9 1 1 A 85 85 ASP H H 65 7.670 7.384 0.286 1 1 771 . 9 1 1 A 85 85 ASP HA H 65 4.480 4.769 -0.289 1 1 774 . 9 1 1 A 85 85 ASP C C 65 177.530 177.693 -0.163 1 1 775 . 9 1 1 A 85 85 ASP CA C 65 56.290 54.744 1.546 1 1 776 . 9 1 1 A 85 85 ASP CB C 65 40.480 41.847 -1.367 1 1 777 . 9 1 1 A 85 85 ASP N N 65 114.070 121.519 -7.449 1 1 778 . 9 1 1 A 86 86 THR H H 66 7.560 7.499 0.061 1 1 779 . 9 1 1 A 86 86 THR HA H 66 4.530 4.064 0.466 1 1 784 . 9 1 1 A 86 86 THR C C 66 176.820 179.127 -2.307 1 1 785 . 9 1 1 A 86 86 THR CA C 66 62.380 54.870 7.510 1 1 786 . 9 1 1 A 86 86 THR CB C 66 70.200 18.164 52.036 1 1 788 . 9 1 1 A 86 86 THR N N 66 106.640 123.158 -16.518 1 1 789 . 9 1 1 A 87 87 ARG H H 67 8.100 8.338 -0.238 1 1 790 . 9 1 1 A 87 87 ARG HA H 67 4.020 4.000 0.020 1 1 797 . 9 1 1 A 87 87 ARG C C 67 178.760 175.904 2.856 1 1 798 . 9 1 1 A 87 87 ARG CA C 67 61.140 56.928 4.212 1 1 799 . 9 1 1 A 87 87 ARG CB C 67 30.220 27.305 2.915 1 1 802 . 9 1 1 A 87 87 ARG N N 67 124.220 115.105 9.115 1 1 803 . 9 1 1 A 88 88 GLU H H 68 8.790 8.028 0.762 1 1 804 . 9 1 1 A 88 88 GLU HA H 68 4.090 4.828 -0.738 1 1 809 . 9 1 1 A 88 88 GLU C C 68 179.320 175.438 3.882 1 1 810 . 9 1 1 A 88 88 GLU CA C 68 59.150 57.197 1.953 1 1 811 . 9 1 1 A 88 88 GLU CB C 68 28.930 39.462 -10.532 1 1 813 . 9 1 1 A 88 88 GLU N N 68 118.790 117.888 0.902 1 1 814 . 9 1 1 A 89 89 SER H H 69 8.140 7.567 0.573 1 1 815 . 9 1 1 A 89 89 SER HA H 69 4.390 4.114 0.276 1 1 818 . 9 1 1 A 89 89 SER C C 69 176.100 177.987 -1.887 1 1 819 . 9 1 1 A 89 89 SER CA C 69 61.000 53.615 7.385 1 1 820 . 9 1 1 A 89 89 SER CB C 69 63.190 18.416 44.774 1 1 821 . 9 1 1 A 89 89 SER N N 69 115.570 123.243 -7.673 1 1 822 . 9 1 1 A 90 90 MET H H 70 7.690 8.816 -1.126 1 1 831 . 9 1 1 A 90 90 MET C C 70 177.990 174.494 3.496 1 1 832 . 9 1 1 A 90 90 MET CA C 70 55.140 45.289 9.851 1 1 836 . 9 1 1 A 90 90 MET N N 70 118.160 111.658 6.502 1 1 837 . 9 1 1 A 91 91 HIS H H 71 7.740 7.745 -0.005 1 1 838 . 9 1 1 A 91 91 HIS HA H 71 4.430 4.376 0.054 1 1 842 . 9 1 1 A 91 91 HIS C C 71 177.460 175.915 1.545 1 1 843 . 9 1 1 A 91 91 HIS CA C 71 58.830 56.284 2.546 1 1 844 . 9 1 1 A 91 91 HIS CB C 71 29.680 30.881 -1.201 1 1 846 . 9 1 1 A 91 91 HIS N N 71 118.990 122.066 -3.076 1 1 847 . 9 1 1 A 92 92 ALA H H 72 7.230 8.504 -1.274 1 1 848 . 9 1 1 A 92 92 ALA HA H 72 3.900 4.688 -0.788 1 1 852 . 9 1 1 A 92 92 ALA C C 72 177.850 176.778 1.072 1 1 853 . 9 1 1 A 92 92 ALA CA C 72 53.840 52.151 1.689 1 1 854 . 9 1 1 A 92 92 ALA CB C 72 18.250 41.911 -23.661 1 1 855 . 9 1 1 A 92 92 ALA N N 72 120.170 125.969 -5.799 1 1 857 . 9 1 1 A 93 93 PHE HA H 73 4.970 4.391 0.579 1 1 865 . 9 1 1 A 93 93 PHE C C 73 174.000 178.445 -4.445 1 1 866 . 9 1 1 A 93 93 PHE CA C 73 56.420 65.761 -9.341 1 1 867 . 9 1 1 A 93 93 PHE CB C 73 39.050 31.626 7.424 1 1 871 . 9 1 1 A 93 93 PHE N N 73 113.910 141.346 -27.436 1 1 872 . 9 1 1 A 94 94 CYS H H 74 7.690 6.809 0.881 1 1 873 . 9 1 1 A 94 94 CYS HA H 74 4.120 3.540 0.580 1 1 876 . 9 1 1 A 94 94 CYS C C 74 174.900 177.921 -3.021 1 1 877 . 9 1 1 A 94 94 CYS CA C 74 58.200 65.034 -6.834 1 1 878 . 9 1 1 A 94 94 CYS CB C 74 27.320 31.500 -4.180 1 1 879 . 9 1 1 A 94 94 CYS N N 74 121.190 115.969 5.221 1 1 880 . 9 1 1 A 95 95 VAL H H 75 8.770 7.964 0.806 1 1 881 . 9 1 1 A 95 95 VAL HA H 75 3.820 3.460 0.360 1 1 889 . 9 1 1 A 95 95 VAL C C 75 175.640 178.392 -2.752 1 1 890 . 9 1 1 A 95 95 VAL CA C 75 62.250 66.194 -3.944 1 1 891 . 9 1 1 A 95 95 VAL CB C 75 32.280 31.628 0.652 1 1 894 . 9 1 1 A 95 95 VAL N N 75 128.310 120.801 7.509 1 1 895 . 9 1 1 A 96 96 GLY H H 76 7.130 8.057 -0.927 1 1 898 . 9 1 1 A 96 96 GLY C C 76 171.220 179.411 -8.191 1 1 899 . 9 1 1 A 96 96 GLY CA C 76 44.940 54.877 -9.937 1 1 900 . 9 1 1 A 96 96 GLY N N 76 105.330 121.802 -16.472 1 1 901 . 9 1 1 A 97 97 GLN H H 77 8.590 7.384 1.206 1 1 902 . 9 1 1 A 97 97 GLN HA H 77 4.460 3.885 0.575 1 1 909 . 9 1 1 A 97 97 GLN C C 77 174.070 178.592 -4.522 1 1 910 . 9 1 1 A 97 97 GLN CA C 77 54.860 57.034 -2.174 1 1 911 . 9 1 1 A 97 97 GLN CB C 77 30.820 41.525 -10.705 1 1 913 . 9 1 1 A 97 97 GLN N N 77 120.500 120.261 0.239 1 1 915 . 9 1 1 A 98 98 TYR H H 78 8.440 7.847 0.593 1 1 916 . 9 1 1 A 98 98 TYR HA H 78 4.960 3.940 1.020 1 1 923 . 9 1 1 A 98 98 TYR C C 78 174.460 179.130 -4.670 1 1 924 . 9 1 1 A 98 98 TYR CA C 78 56.660 59.184 -2.524 1 1 925 . 9 1 1 A 98 98 TYR CB C 78 40.450 29.306 11.144 1 1 928 . 9 1 1 A 98 98 TYR N N 78 125.460 119.193 6.267 1 1 929 . 9 1 1 A 99 99 LEU H H 79 8.100 7.883 0.217 1 1 930 . 9 1 1 A 99 99 LEU HA H 79 4.360 4.137 0.223 1 1 940 . 9 1 1 A 99 99 LEU C C 79 173.790 180.104 -6.314 1 1 941 . 9 1 1 A 99 99 LEU CA C 79 53.110 54.767 -1.657 1 1 942 . 9 1 1 A 99 99 LEU CB C 79 43.200 18.167 25.033 1 1 946 . 9 1 1 A 99 99 LEU N N 79 131.670 123.117 8.553 1 1 947 . 9 1 1 A 100 100 GLU H H 80 8.160 7.499 0.661 1 1 948 . 9 1 1 A 100 100 GLU HA H 80 4.140 4.436 -0.296 1 1 953 . 9 1 1 A 100 100 GLU CA C 80 54.540 54.921 -0.381 1 1 954 . 9 1 1 A 100 100 GLU CB C 80 29.270 18.318 10.952 1 1 956 . 9 1 1 A 100 100 GLU N N 80 125.120 120.401 4.719 1 1 957 . 9 1 1 A 101 101 PRO HA H 81 4.380 3.994 0.386 1 1 964 . 9 1 1 A 101 101 PRO C C 81 177.370 178.964 -1.594 1 1 965 . 9 1 1 A 101 101 PRO CA C 81 64.050 57.539 6.511 1 1 966 . 9 1 1 A 101 101 PRO CB C 81 32.130 41.410 -9.280 1 1 969 . 9 1 1 A 102 102 ASP H H 82 8.430 7.800 0.630 1 1 970 . 9 1 1 A 102 102 ASP HA H 82 4.550 4.121 0.429 1 1 973 . 9 1 1 A 102 102 ASP C C 82 176.950 176.805 0.145 1 1 974 . 9 1 1 A 102 102 ASP CA C 82 54.680 58.385 -3.705 1 1 975 . 9 1 1 A 102 102 ASP CB C 82 40.630 29.509 11.121 1 1 976 . 9 1 1 A 102 102 ASP N N 82 118.470 118.608 -0.138 1 1 977 . 9 1 1 A 103 103 GLN H H 83 8.230 7.708 0.522 1 1 978 . 9 1 1 A 103 103 GLN HA H 83 4.340 4.846 -0.506 1 1 985 . 9 1 1 A 103 103 GLN C C 83 176.210 176.427 -0.217 1 1 986 . 9 1 1 A 103 103 GLN CA C 83 55.640 56.849 -1.209 1 1 987 . 9 1 1 A 103 103 GLN CB C 83 29.630 39.172 -9.542 1 1 989 . 9 1 1 A 103 103 GLN N N 83 119.650 120.377 -0.727 1 1 991 . 9 1 1 A 104 104 GLU H H 84 8.250 8.851 -0.601 1 1 992 . 9 1 1 A 104 104 GLU HA H 84 4.220 4.029 0.191 1 1 997 . 9 1 1 A 104 104 GLU C C 84 177.100 178.239 -1.139 1 1 998 . 9 1 1 A 104 104 GLU CA C 84 57.220 59.061 -1.841 1 1 999 . 9 1 1 A 104 104 GLU CB C 84 30.320 28.967 1.353 1 1 1001 . 9 1 1 A 104 104 GLU N N 84 121.670 126.630 -4.960 1 1 1002 . 9 1 1 A 105 105 GLY H H 85 8.450 7.247 1.203 1 1 1005 . 9 1 1 A 105 105 GLY C C 85 174.000 177.524 -3.524 1 1 1006 . 9 1 1 A 105 105 GLY CA C 85 45.410 56.678 -11.268 1 1 1007 . 9 1 1 A 105 105 GLY N N 85 109.870 120.443 -10.573 1 1 1008 . 9 1 1 A 106 106 VAL H H 86 7.900 7.371 0.529 1 1 1009 . 9 1 1 A 106 106 VAL HA H 86 4.190 4.321 -0.131 1 1 1017 . 9 1 1 A 106 106 VAL C C 86 176.300 176.371 -0.071 1 1 1018 . 9 1 1 A 106 106 VAL CA C 86 62.190 63.596 -1.406 1 1 1019 . 9 1 1 A 106 106 VAL CB C 86 32.860 69.429 -36.569 1 1 1022 . 9 1 1 A 106 106 VAL N N 86 119.330 112.442 6.888 1 1 1023 . 9 1 1 A 107 107 THR H H 87 8.320 8.311 0.009 1 1 1024 . 9 1 1 A 107 107 THR HA H 87 4.350 4.039 0.311 1 1 1029 . 9 1 1 A 107 107 THR C C 87 174.050 178.065 -4.015 1 1 1030 . 9 1 1 A 107 107 THR CA C 87 61.870 58.840 3.030 1 1 1031 . 9 1 1 A 107 107 THR CB C 87 69.910 29.863 40.047 1 1 1033 . 9 1 1 A 107 107 THR N N 87 119.480 122.323 -2.843 1 1 1034 . 9 1 1 A 108 108 ILE H H 88 8.360 8.353 0.007 1 1 1035 . 9 1 1 A 108 108 ILE HA H 88 4.470 4.197 0.273 1 1 1045 . 9 1 1 A 108 108 ILE CA C 88 58.410 59.049 -0.639 1 1 1046 . 9 1 1 A 108 108 ILE CB C 88 38.530 28.801 9.729 1 1 1050 . 9 1 1 A 108 108 ILE N N 88 126.140 119.269 6.871 1 1 1051 . 9 1 1 A 109 109 PRO HA H 89 4.380 4.550 -0.170 1 1 1058 . 9 1 1 A 109 109 PRO C C 89 176.290 176.302 -0.012 1 1 1059 . 9 1 1 A 109 109 PRO CA C 89 63.210 61.069 2.141 1 1 1060 . 9 1 1 A 109 109 PRO CB C 89 32.220 63.314 -31.094 1 1 1063 . 9 1 1 A 110 110 ASP H H 90 8.370 7.956 0.414 1 1 1064 . 9 1 1 A 110 110 ASP HA H 90 4.580 4.779 -0.199 1 1 1067 . 9 1 1 A 110 110 ASP C C 90 176.200 177.848 -1.648 1 1 1068 . 9 1 1 A 110 110 ASP CA C 90 54.290 56.141 -1.851 1 1 1069 . 9 1 1 A 110 110 ASP CB C 90 41.120 31.709 9.411 1 1 1070 . 9 1 1 A 110 110 ASP N N 90 120.470 119.547 0.923 1 1 1071 . 9 1 1 A 111 111 LEU H H 91 8.250 8.396 -0.146 1 1 1072 . 9 1 1 A 111 111 LEU HA H 91 4.370 4.531 -0.161 1 1 1081 . 9 1 1 A 111 111 LEU C C 91 177.040 177.314 -0.274 1 1 1082 . 9 1 1 A 111 111 LEU CA C 91 55.060 59.005 -3.945 1 1 1083 . 9 1 1 A 111 111 LEU CB C 91 42.290 28.967 13.323 1 1 1086 . 9 1 1 A 111 111 LEU N N 91 123.570 118.636 4.934 1 1 1087 . 9 1 1 A 112 112 GLY H H 92 8.080 7.322 0.758 1 1 1090 . 9 1 1 A 112 112 GLY CA C 92 46.190 54.129 -7.939 1 1 246 . 10 1 1 A 42 42 THR H H 22 8.820 7.721 1.099 1 1 247 . 10 1 1 A 42 42 THR HA H 22 4.800 4.930 -0.130 1 1 252 . 10 1 1 A 42 42 THR C C 22 170.950 174.875 -3.925 1 1 253 . 10 1 1 A 42 42 THR CA C 22 60.870 54.257 6.613 1 1 254 . 10 1 1 A 42 42 THR CB C 22 71.510 35.930 35.580 1 1 256 . 10 1 1 A 42 42 THR N N 22 116.000 114.311 1.689 1 1 257 . 10 1 1 A 43 43 VAL H H 23 8.140 8.821 -0.681 1 1 258 . 10 1 1 A 43 43 VAL HA H 23 4.830 4.532 0.298 1 1 266 . 10 1 1 A 43 43 VAL C C 23 176.470 174.113 2.357 1 1 267 . 10 1 1 A 43 43 VAL CA C 23 61.540 61.199 0.341 1 1 268 . 10 1 1 A 43 43 VAL CB C 23 32.270 33.183 -0.913 1 1 271 . 10 1 1 A 43 43 VAL N N 23 125.850 119.993 5.857 1 1 272 . 10 1 1 A 44 44 ILE H H 24 9.350 8.684 0.666 1 1 273 . 10 1 1 A 44 44 ILE HA H 24 4.220 4.363 -0.143 1 1 283 . 10 1 1 A 44 44 ILE C C 24 176.050 173.916 2.134 1 1 284 . 10 1 1 A 44 44 ILE CA C 24 60.880 63.228 -2.348 1 1 285 . 10 1 1 A 44 44 ILE CB C 24 40.830 68.868 -28.038 1 1 289 . 10 1 1 A 44 44 ILE N N 24 128.460 124.763 3.697 1 1 290 . 10 1 1 A 45 45 ASP H H 25 9.450 8.874 0.576 1 1 291 . 10 1 1 A 45 45 ASP HA H 25 4.320 5.018 -0.698 1 1 294 . 10 1 1 A 45 45 ASP C C 25 176.060 175.997 0.063 1 1 295 . 10 1 1 A 45 45 ASP CA C 25 55.170 54.196 0.974 1 1 296 . 10 1 1 A 45 45 ASP CB C 25 39.870 40.882 -1.012 1 1 297 . 10 1 1 A 45 45 ASP N N 25 129.730 128.850 0.880 1 1 298 . 10 1 1 A 46 46 GLY H H 26 8.360 8.640 -0.280 1 1 301 . 10 1 1 A 46 46 GLY C C 26 173.150 175.167 -2.017 1 1 302 . 10 1 1 A 46 46 GLY CA C 26 46.190 61.839 -15.649 1 1 303 . 10 1 1 A 46 46 GLY N N 26 102.380 125.560 -23.180 1 1 304 . 10 1 1 A 47 47 LYS H H 27 8.000 8.602 -0.602 1 1 305 . 10 1 1 A 47 47 LYS HA H 27 4.780 4.802 -0.022 1 1 314 . 10 1 1 A 47 47 LYS C C 27 177.050 176.802 0.248 1 1 315 . 10 1 1 A 47 47 LYS CA C 27 54.870 54.363 0.507 1 1 316 . 10 1 1 A 47 47 LYS CB C 27 36.020 32.635 3.385 1 1 320 . 10 1 1 A 47 47 LYS N N 27 121.330 127.627 -6.297 1 1 321 . 10 1 1 A 48 48 VAL H H 28 8.160 8.817 -0.657 1 1 322 . 10 1 1 A 48 48 VAL HA H 28 4.450 4.046 0.404 1 1 330 . 10 1 1 A 48 48 VAL C C 28 174.640 177.725 -3.085 1 1 331 . 10 1 1 A 48 48 VAL CA C 28 60.800 64.590 -3.790 1 1 332 . 10 1 1 A 48 48 VAL CB C 28 32.310 37.810 -5.500 1 1 335 . 10 1 1 A 48 48 VAL N N 28 119.880 125.501 -5.621 1 1 336 . 10 1 1 A 49 49 TYR H H 29 9.130 8.310 0.820 1 1 337 . 10 1 1 A 49 49 TYR HA H 29 5.200 4.094 1.106 1 1 344 . 10 1 1 A 49 49 TYR C C 29 174.540 179.853 -5.313 1 1 345 . 10 1 1 A 49 49 TYR CA C 29 56.640 55.385 1.255 1 1 346 . 10 1 1 A 49 49 TYR CB C 29 43.420 18.110 25.310 1 1 349 . 10 1 1 A 49 49 TYR N N 29 124.890 123.407 1.483 1 1 350 . 10 1 1 A 50 50 ASP H H 30 9.000 8.263 0.737 1 1 351 . 10 1 1 A 50 50 ASP HA H 30 5.330 4.465 0.865 1 1 354 . 10 1 1 A 50 50 ASP C C 30 176.020 179.295 -3.275 1 1 355 . 10 1 1 A 50 50 ASP CA C 30 53.180 57.459 -4.279 1 1 356 . 10 1 1 A 50 50 ASP CB C 30 40.910 40.163 0.747 1 1 357 . 10 1 1 A 50 50 ASP N N 30 119.790 119.244 0.546 1 1 358 . 10 1 1 A 51 51 ILE H H 31 8.700 8.229 0.471 1 1 359 . 10 1 1 A 51 51 ILE HA H 31 3.710 4.154 -0.444 1 1 369 . 10 1 1 A 51 51 ILE C C 31 178.070 179.353 -1.283 1 1 370 . 10 1 1 A 51 51 ILE CA C 31 60.750 58.085 2.665 1 1 371 . 10 1 1 A 51 51 ILE CB C 31 35.230 41.833 -6.603 1 1 375 . 10 1 1 A 51 51 ILE N N 31 125.270 121.377 3.893 1 1 376 . 10 1 1 A 52 52 LYS H H 32 8.030 7.884 0.146 1 1 377 . 10 1 1 A 52 52 LYS HA H 32 4.340 3.881 0.459 1 1 386 . 10 1 1 A 52 52 LYS C C 32 179.540 179.693 -0.153 1 1 387 . 10 1 1 A 52 52 LYS CA C 32 59.380 59.959 -0.579 1 1 388 . 10 1 1 A 52 52 LYS CB C 32 31.930 29.321 2.609 1 1 392 . 10 1 1 A 52 52 LYS N N 32 120.520 117.350 3.170 1 1 393 . 10 1 1 A 53 53 ASP H H 33 7.810 8.174 -0.364 1 1 394 . 10 1 1 A 53 53 ASP HA H 33 4.620 4.498 0.122 1 1 397 . 10 1 1 A 53 53 ASP C C 33 177.670 177.809 -0.139 1 1 398 . 10 1 1 A 53 53 ASP CA C 33 56.840 56.212 0.628 1 1 399 . 10 1 1 A 53 53 ASP CB C 33 41.220 38.335 2.885 1 1 400 . 10 1 1 A 53 53 ASP N N 33 120.590 117.964 2.626 1 1 401 . 10 1 1 A 54 54 PHE H H 34 7.660 7.788 -0.128 1 1 402 . 10 1 1 A 54 54 PHE HA H 34 3.100 4.037 -0.937 1 1 410 . 10 1 1 A 54 54 PHE C C 34 176.960 176.859 0.101 1 1 411 . 10 1 1 A 54 54 PHE CA C 34 60.670 59.500 1.170 1 1 412 . 10 1 1 A 54 54 PHE CB C 34 38.870 29.459 9.411 1 1 416 . 10 1 1 A 54 54 PHE N N 34 120.480 120.677 -0.197 1 1 417 . 10 1 1 A 55 55 GLN H H 35 8.860 8.453 0.407 1 1 418 . 10 1 1 A 55 55 GLN HA H 35 3.660 4.589 -0.929 1 1 425 . 10 1 1 A 55 55 GLN C C 35 178.510 177.603 0.907 1 1 426 . 10 1 1 A 55 55 GLN CA C 35 58.980 56.526 2.454 1 1 427 . 10 1 1 A 55 55 GLN CB C 35 29.450 38.768 -9.318 1 1 429 . 10 1 1 A 55 55 GLN N N 35 119.060 116.723 2.337 1 1 431 . 10 1 1 A 56 56 THR H H 36 8.150 8.166 -0.016 1 1 432 . 10 1 1 A 56 56 THR HA H 36 3.930 4.405 -0.475 1 1 437 . 10 1 1 A 56 56 THR C C 36 176.550 177.136 -0.586 1 1 438 . 10 1 1 A 56 56 THR CA C 36 66.070 56.162 9.908 1 1 439 . 10 1 1 A 56 56 THR CB C 36 69.030 38.835 30.195 1 1 441 . 10 1 1 A 56 56 THR N N 36 115.130 117.837 -2.707 1 1 442 . 10 1 1 A 57 57 GLN H H 37 8.230 7.373 0.857 1 1 443 . 10 1 1 A 57 57 GLN HA H 37 4.210 4.573 -0.363 1 1 450 . 10 1 1 A 57 57 GLN CA C 37 58.050 54.372 3.678 1 1 451 . 10 1 1 A 57 57 GLN CB C 37 28.290 41.120 -12.830 1 1 453 . 10 1 1 A 57 57 GLN N N 37 119.670 117.372 2.298 1 1 458 . 10 1 1 A 58 58 SER C C 38 174.020 174.903 -0.883 1 1 459 . 10 1 1 A 58 58 SER CA C 38 60.500 45.407 15.093 1 1 461 . 10 1 1 A 59 59 LEU H H 39 7.320 7.412 -0.092 1 1 465 . 10 1 1 A 59 59 LEU CA C 39 55.140 45.538 9.602 1 1 467 . 10 1 1 A 59 59 LEU N N 39 120.250 107.646 12.604 1 1 468 . 10 1 1 A 60 60 THR H H 40 7.510 9.091 -1.581 1 1 469 . 10 1 1 A 60 60 THR HA H 40 4.250 4.767 -0.517 1 1 474 . 10 1 1 A 60 60 THR C C 40 174.900 174.240 0.660 1 1 475 . 10 1 1 A 60 60 THR CA C 40 62.320 57.186 5.134 1 1 476 . 10 1 1 A 60 60 THR CB C 40 70.110 39.177 30.933 1 1 478 . 10 1 1 A 60 60 THR N N 40 112.820 126.191 -13.371 1 1 479 . 10 1 1 A 61 61 GLU H H 41 8.510 8.985 -0.475 1 1 480 . 10 1 1 A 61 61 GLU HA H 41 4.100 5.674 -1.574 1 1 485 . 10 1 1 A 61 61 GLU C C 41 176.720 175.451 1.269 1 1 486 . 10 1 1 A 61 61 GLU CA C 41 57.840 55.909 1.931 1 1 487 . 10 1 1 A 61 61 GLU CB C 41 29.840 31.340 -1.500 1 1 489 . 10 1 1 A 61 61 GLU N N 41 123.410 128.088 -4.678 1 1 490 . 10 1 1 A 62 62 ASN H H 42 8.600 8.614 -0.014 1 1 491 . 10 1 1 A 62 62 ASN HA H 42 4.580 4.936 -0.356 1 1 496 . 10 1 1 A 62 62 ASN C C 42 174.940 172.350 2.590 1 1 497 . 10 1 1 A 62 62 ASN CA C 42 53.760 60.045 -6.285 1 1 498 . 10 1 1 A 62 62 ASN CB C 42 38.130 72.059 -33.929 1 1 499 . 10 1 1 A 62 62 ASN N N 42 117.760 115.365 2.395 1 1 501 . 10 1 1 A 63 63 SER H H 43 7.800 8.720 -0.920 1 1 502 . 10 1 1 A 63 63 SER HA H 43 4.400 4.920 -0.520 1 1 505 . 10 1 1 A 63 63 SER C C 43 177.320 174.882 2.438 1 1 506 . 10 1 1 A 63 63 SER CA C 43 58.730 61.080 -2.350 1 1 507 . 10 1 1 A 63 63 SER CB C 43 64.210 32.901 31.309 1 1 508 . 10 1 1 A 63 63 SER N N 43 114.610 125.004 -10.394 1 1 509 . 10 1 1 A 64 64 ILE H H 44 8.710 8.886 -0.176 1 1 510 . 10 1 1 A 64 64 ILE HA H 44 4.180 4.574 -0.394 1 1 520 . 10 1 1 A 64 64 ILE C C 44 176.550 176.012 0.538 1 1 521 . 10 1 1 A 64 64 ILE CA C 44 63.280 60.334 2.946 1 1 522 . 10 1 1 A 64 64 ILE CB C 44 38.110 40.372 -2.262 1 1 526 . 10 1 1 A 64 64 ILE N N 44 125.240 127.519 -2.279 1 1 527 . 10 1 1 A 65 65 LEU H H 45 8.160 9.500 -1.340 1 1 528 . 10 1 1 A 65 65 LEU HA H 45 4.450 4.316 0.134 1 1 538 . 10 1 1 A 65 65 LEU C C 45 177.800 175.445 2.355 1 1 539 . 10 1 1 A 65 65 LEU CA C 45 54.820 55.146 -0.326 1 1 540 . 10 1 1 A 65 65 LEU CB C 45 41.790 39.831 1.959 1 1 544 . 10 1 1 A 65 65 LEU N N 45 118.980 128.032 -9.052 1 1 545 . 10 1 1 A 66 66 ALA H H 46 7.700 8.736 -1.036 1 1 550 . 10 1 1 A 66 66 ALA C C 46 179.870 173.720 6.150 1 1 551 . 10 1 1 A 66 66 ALA CA C 46 54.980 45.379 9.601 1 1 553 . 10 1 1 A 66 66 ALA N N 46 122.830 103.864 18.966 1 1 554 . 10 1 1 A 67 67 GLN H H 47 7.920 7.760 0.160 1 1 555 . 10 1 1 A 67 67 GLN HA H 47 4.110 4.532 -0.422 1 1 562 . 10 1 1 A 67 67 GLN C C 47 175.990 175.327 0.663 1 1 563 . 10 1 1 A 67 67 GLN CA C 47 57.170 54.096 3.074 1 1 564 . 10 1 1 A 67 67 GLN CB C 47 28.180 34.425 -6.245 1 1 566 . 10 1 1 A 67 67 GLN N N 47 115.030 120.571 -5.541 1 1 568 . 10 1 1 A 68 68 PHE H H 48 7.790 8.094 -0.304 1 1 569 . 10 1 1 A 68 68 PHE HA H 48 4.690 4.425 0.265 1 1 576 . 10 1 1 A 68 68 PHE C C 48 175.620 174.254 1.366 1 1 577 . 10 1 1 A 68 68 PHE CA C 48 57.220 60.635 -3.415 1 1 578 . 10 1 1 A 68 68 PHE CB C 48 39.320 32.453 6.867 1 1 581 . 10 1 1 A 68 68 PHE N N 48 118.560 121.944 -3.384 1 1 582 . 10 1 1 A 69 69 ALA H H 49 7.600 8.766 -1.166 1 1 583 . 10 1 1 A 69 69 ALA HA H 49 4.120 5.194 -1.074 1 1 587 . 10 1 1 A 69 69 ALA C C 49 178.250 173.921 4.329 1 1 588 . 10 1 1 A 69 69 ALA CA C 49 53.920 55.888 -1.968 1 1 589 . 10 1 1 A 69 69 ALA CB C 49 18.660 43.450 -24.790 1 1 590 . 10 1 1 A 69 69 ALA N N 49 123.340 125.876 -2.536 1 1 591 . 10 1 1 A 70 70 GLY H H 50 8.500 8.889 -0.389 1 1 594 . 10 1 1 A 70 70 GLY C C 50 174.070 176.260 -2.190 1 1 595 . 10 1 1 A 70 70 GLY CA C 50 45.390 52.867 -7.477 1 1 596 . 10 1 1 A 70 70 GLY N N 50 108.770 123.197 -14.427 1 1 597 . 10 1 1 A 71 71 GLU H H 51 7.800 8.881 -1.081 1 1 598 . 10 1 1 A 71 71 GLU HA H 51 4.430 3.732 0.698 1 1 603 . 10 1 1 A 71 71 GLU C C 51 176.220 178.091 -1.871 1 1 604 . 10 1 1 A 71 71 GLU CA C 51 55.430 64.529 -9.099 1 1 605 . 10 1 1 A 71 71 GLU CB C 51 30.980 37.514 -6.534 1 1 607 . 10 1 1 A 71 71 GLU N N 51 119.390 126.409 -7.019 1 1 608 . 10 1 1 A 72 72 ASP H H 52 8.830 8.121 0.709 1 1 609 . 10 1 1 A 72 72 ASP HA H 52 4.850 3.962 0.888 1 1 612 . 10 1 1 A 72 72 ASP CA C 52 52.110 59.396 -7.286 1 1 613 . 10 1 1 A 72 72 ASP CB C 52 42.070 32.053 10.017 1 1 614 . 10 1 1 A 72 72 ASP N N 52 123.830 122.461 1.369 1 1 615 . 10 1 1 A 73 73 PRO HA H 53 4.410 4.457 -0.047 1 1 622 . 10 1 1 A 73 73 PRO C C 53 177.290 178.346 -1.056 1 1 623 . 10 1 1 A 73 73 PRO CA C 53 64.940 57.292 7.648 1 1 624 . 10 1 1 A 73 73 PRO CB C 53 32.130 41.044 -8.914 1 1 627 . 10 1 1 A 74 74 VAL H H 54 7.950 7.946 0.004 1 1 628 . 10 1 1 A 74 74 VAL HA H 54 3.360 3.419 -0.059 1 1 636 . 10 1 1 A 74 74 VAL C C 54 177.540 177.602 -0.062 1 1 637 . 10 1 1 A 74 74 VAL CA C 54 66.820 61.523 5.297 1 1 638 . 10 1 1 A 74 74 VAL CB C 54 31.310 38.871 -7.561 1 1 641 . 10 1 1 A 74 74 VAL N N 54 118.670 120.036 -1.366 1 1 642 . 10 1 1 A 75 75 VAL H H 55 7.090 8.214 -1.124 1 1 643 . 10 1 1 A 75 75 VAL HA H 55 3.620 4.133 -0.513 1 1 651 . 10 1 1 A 75 75 VAL C C 55 175.050 178.678 -3.628 1 1 652 . 10 1 1 A 75 75 VAL CA C 55 65.440 58.826 6.614 1 1 653 . 10 1 1 A 75 75 VAL CB C 55 32.210 28.500 3.710 1 1 656 . 10 1 1 A 75 75 VAL N N 55 120.340 117.485 2.855 1 1 657 . 10 1 1 A 76 76 ALA H H 56 8.050 7.843 0.207 1 1 658 . 10 1 1 A 76 76 ALA HA H 56 3.870 3.851 0.019 1 1 662 . 10 1 1 A 76 76 ALA C C 56 178.160 177.238 0.922 1 1 663 . 10 1 1 A 76 76 ALA CA C 56 54.840 66.933 -12.093 1 1 664 . 10 1 1 A 76 76 ALA CB C 56 19.250 68.210 -48.960 1 1 665 . 10 1 1 A 76 76 ALA N N 56 121.910 118.095 3.815 1 1 666 . 10 1 1 A 77 77 LEU H H 57 7.720 7.538 0.182 1 1 667 . 10 1 1 A 77 77 LEU HA H 57 3.170 4.161 -0.991 1 1 677 . 10 1 1 A 77 77 LEU C C 57 178.010 178.639 -0.629 1 1 678 . 10 1 1 A 77 77 LEU CA C 57 58.260 58.335 -0.075 1 1 679 . 10 1 1 A 77 77 LEU CB C 57 39.970 28.026 11.944 1 1 683 . 10 1 1 A 77 77 LEU N N 57 120.030 120.701 -0.671 1 1 684 . 10 1 1 A 78 78 GLU H H 58 7.840 7.795 0.045 1 1 685 . 10 1 1 A 78 78 GLU HA H 58 3.510 4.155 -0.645 1 1 690 . 10 1 1 A 78 78 GLU C C 58 179.140 175.938 3.202 1 1 691 . 10 1 1 A 78 78 GLU CA C 58 60.290 61.818 -1.528 1 1 692 . 10 1 1 A 78 78 GLU CB C 58 29.420 62.870 -33.450 1 1 694 . 10 1 1 A 78 78 GLU N N 58 116.990 118.431 -1.441 1 1 695 . 10 1 1 A 79 79 ALA H H 59 7.710 7.621 0.089 1 1 696 . 10 1 1 A 79 79 ALA HA H 59 3.940 4.120 -0.180 1 1 700 . 10 1 1 A 79 79 ALA C C 59 180.360 177.353 3.007 1 1 701 . 10 1 1 A 79 79 ALA CA C 59 54.790 57.631 -2.841 1 1 702 . 10 1 1 A 79 79 ALA CB C 59 17.930 41.625 -23.695 1 1 703 . 10 1 1 A 79 79 ALA N N 59 120.690 122.236 -1.546 1 1 704 . 10 1 1 A 80 80 ALA H H 60 8.220 7.370 0.850 1 1 705 . 10 1 1 A 80 80 ALA HA H 60 3.970 4.347 -0.377 1 1 709 . 10 1 1 A 80 80 ALA C C 60 180.570 175.523 5.047 1 1 710 . 10 1 1 A 80 80 ALA CA C 60 54.160 64.076 -9.916 1 1 711 . 10 1 1 A 80 80 ALA CB C 60 18.830 69.148 -50.318 1 1 712 . 10 1 1 A 80 80 ALA N N 60 122.230 113.234 8.996 1 1 713 . 10 1 1 A 81 81 LEU H H 61 7.800 8.888 -1.088 1 1 714 . 10 1 1 A 81 81 LEU HA H 61 3.890 4.109 -0.219 1 1 724 . 10 1 1 A 81 81 LEU C C 61 177.590 177.654 -0.064 1 1 725 . 10 1 1 A 81 81 LEU CA C 61 56.650 59.157 -2.507 1 1 726 . 10 1 1 A 81 81 LEU CB C 61 42.630 29.029 13.601 1 1 730 . 10 1 1 A 81 81 LEU N N 61 116.150 124.403 -8.253 1 1 731 . 10 1 1 A 82 82 GLN H H 62 7.450 8.300 -0.850 1 1 732 . 10 1 1 A 82 82 GLN HA H 62 4.250 4.693 -0.443 1 1 739 . 10 1 1 A 82 82 GLN C C 62 176.120 175.801 0.319 1 1 740 . 10 1 1 A 82 82 GLN CA C 62 55.880 53.511 2.369 1 1 741 . 10 1 1 A 82 82 GLN CB C 62 29.330 37.946 -8.616 1 1 743 . 10 1 1 A 82 82 GLN N N 62 115.740 116.020 -0.280 1 1 745 . 10 1 1 A 83 83 PHE H H 63 7.300 7.558 -0.258 1 1 746 . 10 1 1 A 83 83 PHE HA H 63 4.900 4.400 0.500 1 1 753 . 10 1 1 A 83 83 PHE C C 63 176.470 175.538 0.932 1 1 754 . 10 1 1 A 83 83 PHE CA C 63 56.260 58.926 -2.666 1 1 755 . 10 1 1 A 83 83 PHE CB C 63 39.000 64.175 -25.175 1 1 758 . 10 1 1 A 83 83 PHE N N 63 120.420 116.298 4.122 1 1 759 . 10 1 1 A 84 84 GLU H H 64 9.090 8.862 0.228 1 1 760 . 10 1 1 A 84 84 GLU HA H 64 3.850 3.855 -0.005 1 1 765 . 10 1 1 A 84 84 GLU C C 64 178.010 176.573 1.437 1 1 766 . 10 1 1 A 84 84 GLU CA C 64 59.910 64.052 -4.142 1 1 767 . 10 1 1 A 84 84 GLU CB C 64 29.640 37.798 -8.158 1 1 769 . 10 1 1 A 84 84 GLU N N 64 126.260 124.079 2.181 1 1 770 . 10 1 1 A 85 85 ASP H H 65 7.670 7.833 -0.163 1 1 771 . 10 1 1 A 85 85 ASP HA H 65 4.480 4.529 -0.049 1 1 774 . 10 1 1 A 85 85 ASP C C 65 177.530 178.408 -0.878 1 1 775 . 10 1 1 A 85 85 ASP CA C 65 56.290 55.765 0.525 1 1 776 . 10 1 1 A 85 85 ASP CB C 65 40.480 41.185 -0.705 1 1 777 . 10 1 1 A 85 85 ASP N N 65 114.070 121.531 -7.461 1 1 778 . 10 1 1 A 86 86 THR H H 66 7.560 7.607 -0.047 1 1 779 . 10 1 1 A 86 86 THR HA H 66 4.530 4.015 0.515 1 1 784 . 10 1 1 A 86 86 THR C C 66 176.820 180.188 -3.368 1 1 785 . 10 1 1 A 86 86 THR CA C 66 62.380 54.948 7.432 1 1 786 . 10 1 1 A 86 86 THR CB C 66 70.200 18.142 52.058 1 1 788 . 10 1 1 A 86 86 THR N N 66 106.640 122.605 -15.965 1 1 789 . 10 1 1 A 87 87 ARG H H 67 8.100 7.963 0.137 1 1 790 . 10 1 1 A 87 87 ARG HA H 67 4.020 4.051 -0.031 1 1 797 . 10 1 1 A 87 87 ARG C C 67 178.760 176.272 2.488 1 1 798 . 10 1 1 A 87 87 ARG CA C 67 61.140 57.852 3.288 1 1 799 . 10 1 1 A 87 87 ARG CB C 67 30.220 27.279 2.941 1 1 802 . 10 1 1 A 87 87 ARG N N 67 124.220 115.756 8.464 1 1 803 . 10 1 1 A 88 88 GLU H H 68 8.790 7.528 1.262 1 1 804 . 10 1 1 A 88 88 GLU HA H 68 4.090 4.512 -0.422 1 1 809 . 10 1 1 A 88 88 GLU C C 68 179.320 176.406 2.914 1 1 810 . 10 1 1 A 88 88 GLU CA C 68 59.150 57.852 1.298 1 1 811 . 10 1 1 A 88 88 GLU CB C 68 28.930 38.842 -9.912 1 1 813 . 10 1 1 A 88 88 GLU N N 68 118.790 117.850 0.940 1 1 814 . 10 1 1 A 89 89 SER H H 69 8.140 7.766 0.374 1 1 815 . 10 1 1 A 89 89 SER HA H 69 4.390 4.146 0.244 1 1 818 . 10 1 1 A 89 89 SER C C 69 176.100 178.822 -2.722 1 1 819 . 10 1 1 A 89 89 SER CA C 69 61.000 54.722 6.278 1 1 820 . 10 1 1 A 89 89 SER CB C 69 63.190 18.386 44.804 1 1 821 . 10 1 1 A 89 89 SER N N 69 115.570 122.380 -6.810 1 1 822 . 10 1 1 A 90 90 MET H H 70 7.690 8.191 -0.501 1 1 831 . 10 1 1 A 90 90 MET C C 70 177.990 173.544 4.446 1 1 832 . 10 1 1 A 90 90 MET CA C 70 55.140 45.390 9.750 1 1 836 . 10 1 1 A 90 90 MET N N 70 118.160 106.162 11.998 1 1 837 . 10 1 1 A 91 91 HIS H H 71 7.740 7.661 0.079 1 1 838 . 10 1 1 A 91 91 HIS HA H 71 4.430 4.749 -0.319 1 1 842 . 10 1 1 A 91 91 HIS C C 71 177.460 175.542 1.918 1 1 843 . 10 1 1 A 91 91 HIS CA C 71 58.830 54.528 4.302 1 1 844 . 10 1 1 A 91 91 HIS CB C 71 29.680 32.909 -3.229 1 1 846 . 10 1 1 A 91 91 HIS N N 71 118.990 121.311 -2.321 1 1 847 . 10 1 1 A 92 92 ALA H H 72 7.230 8.512 -1.282 1 1 848 . 10 1 1 A 92 92 ALA HA H 72 3.900 4.714 -0.814 1 1 852 . 10 1 1 A 92 92 ALA C C 72 177.850 176.910 0.940 1 1 853 . 10 1 1 A 92 92 ALA CA C 72 53.840 52.137 1.703 1 1 854 . 10 1 1 A 92 92 ALA CB C 72 18.250 41.880 -23.630 1 1 855 . 10 1 1 A 92 92 ALA N N 72 120.170 125.640 -5.470 1 1 857 . 10 1 1 A 93 93 PHE HA H 73 4.970 4.438 0.532 1 1 865 . 10 1 1 A 93 93 PHE C C 73 174.000 178.738 -4.738 1 1 866 . 10 1 1 A 93 93 PHE CA C 73 56.420 65.880 -9.460 1 1 867 . 10 1 1 A 93 93 PHE CB C 73 39.050 31.709 7.341 1 1 871 . 10 1 1 A 93 93 PHE N N 73 113.910 141.685 -27.775 1 1 872 . 10 1 1 A 94 94 CYS H H 74 7.690 6.911 0.779 1 1 873 . 10 1 1 A 94 94 CYS HA H 74 4.120 3.544 0.576 1 1 876 . 10 1 1 A 94 94 CYS C C 74 174.900 177.931 -3.031 1 1 877 . 10 1 1 A 94 94 CYS CA C 74 58.200 65.001 -6.801 1 1 878 . 10 1 1 A 94 94 CYS CB C 74 27.320 31.390 -4.070 1 1 879 . 10 1 1 A 94 94 CYS N N 74 121.190 116.073 5.117 1 1 880 . 10 1 1 A 95 95 VAL H H 75 8.770 7.952 0.818 1 1 881 . 10 1 1 A 95 95 VAL HA H 75 3.820 3.750 0.070 1 1 889 . 10 1 1 A 95 95 VAL C C 75 175.640 178.417 -2.777 1 1 890 . 10 1 1 A 95 95 VAL CA C 75 62.250 66.179 -3.929 1 1 891 . 10 1 1 A 95 95 VAL CB C 75 32.280 31.218 1.062 1 1 894 . 10 1 1 A 95 95 VAL N N 75 128.310 120.478 7.832 1 1 895 . 10 1 1 A 96 96 GLY H H 76 7.130 8.003 -0.873 1 1 898 . 10 1 1 A 96 96 GLY C C 76 171.220 179.443 -8.223 1 1 899 . 10 1 1 A 96 96 GLY CA C 76 44.940 55.049 -10.109 1 1 900 . 10 1 1 A 96 96 GLY N N 76 105.330 121.828 -16.498 1 1 901 . 10 1 1 A 97 97 GLN H H 77 8.590 7.398 1.192 1 1 902 . 10 1 1 A 97 97 GLN HA H 77 4.460 3.887 0.573 1 1 909 . 10 1 1 A 97 97 GLN C C 77 174.070 178.598 -4.528 1 1 910 . 10 1 1 A 97 97 GLN CA C 77 54.860 56.974 -2.114 1 1 911 . 10 1 1 A 97 97 GLN CB C 77 30.820 41.391 -10.571 1 1 913 . 10 1 1 A 97 97 GLN N N 77 120.500 120.243 0.257 1 1 915 . 10 1 1 A 98 98 TYR H H 78 8.440 8.214 0.226 1 1 916 . 10 1 1 A 98 98 TYR HA H 78 4.960 3.933 1.027 1 1 923 . 10 1 1 A 98 98 TYR C C 78 174.460 179.203 -4.743 1 1 924 . 10 1 1 A 98 98 TYR CA C 78 56.660 59.134 -2.474 1 1 925 . 10 1 1 A 98 98 TYR CB C 78 40.450 29.663 10.787 1 1 928 . 10 1 1 A 98 98 TYR N N 78 125.460 118.889 6.571 1 1 929 . 10 1 1 A 99 99 LEU H H 79 8.100 7.993 0.107 1 1 930 . 10 1 1 A 99 99 LEU HA H 79 4.360 4.143 0.217 1 1 940 . 10 1 1 A 99 99 LEU C C 79 173.790 180.154 -6.364 1 1 941 . 10 1 1 A 99 99 LEU CA C 79 53.110 54.780 -1.670 1 1 942 . 10 1 1 A 99 99 LEU CB C 79 43.200 18.168 25.032 1 1 946 . 10 1 1 A 99 99 LEU N N 79 131.670 123.085 8.585 1 1 947 . 10 1 1 A 100 100 GLU H H 80 8.160 7.452 0.708 1 1 948 . 10 1 1 A 100 100 GLU HA H 80 4.140 4.457 -0.317 1 1 953 . 10 1 1 A 100 100 GLU CA C 80 54.540 54.959 -0.419 1 1 954 . 10 1 1 A 100 100 GLU CB C 80 29.270 18.163 11.107 1 1 956 . 10 1 1 A 100 100 GLU N N 80 125.120 120.666 4.454 1 1 957 . 10 1 1 A 101 101 PRO HA H 81 4.380 3.856 0.524 1 1 964 . 10 1 1 A 101 101 PRO C C 81 177.370 179.144 -1.774 1 1 965 . 10 1 1 A 101 101 PRO CA C 81 64.050 58.159 5.891 1 1 966 . 10 1 1 A 101 101 PRO CB C 81 32.130 41.420 -9.290 1 1 969 . 10 1 1 A 102 102 ASP H H 82 8.430 8.069 0.361 1 1 970 . 10 1 1 A 102 102 ASP HA H 82 4.550 4.074 0.476 1 1 973 . 10 1 1 A 102 102 ASP C C 82 176.950 176.783 0.167 1 1 974 . 10 1 1 A 102 102 ASP CA C 82 54.680 58.921 -4.241 1 1 975 . 10 1 1 A 102 102 ASP CB C 82 40.630 28.361 12.269 1 1 976 . 10 1 1 A 102 102 ASP N N 82 118.470 118.937 -0.467 1 1 977 . 10 1 1 A 103 103 GLN H H 83 8.230 7.867 0.363 1 1 978 . 10 1 1 A 103 103 GLN HA H 83 4.340 4.837 -0.497 1 1 985 . 10 1 1 A 103 103 GLN C C 83 176.210 176.411 -0.201 1 1 986 . 10 1 1 A 103 103 GLN CA C 83 55.640 56.793 -1.153 1 1 987 . 10 1 1 A 103 103 GLN CB C 83 29.630 39.362 -9.732 1 1 989 . 10 1 1 A 103 103 GLN N N 83 119.650 120.443 -0.793 1 1 991 . 10 1 1 A 104 104 GLU H H 84 8.250 8.687 -0.437 1 1 992 . 10 1 1 A 104 104 GLU HA H 84 4.220 4.015 0.205 1 1 997 . 10 1 1 A 104 104 GLU C C 84 177.100 178.091 -0.991 1 1 998 . 10 1 1 A 104 104 GLU CA C 84 57.220 58.940 -1.720 1 1 999 . 10 1 1 A 104 104 GLU CB C 84 30.320 28.907 1.413 1 1 1001 . 10 1 1 A 104 104 GLU N N 84 121.670 126.594 -4.924 1 1 1002 . 10 1 1 A 105 105 GLY H H 85 8.450 7.127 1.323 1 1 1005 . 10 1 1 A 105 105 GLY C C 85 174.000 178.063 -4.063 1 1 1006 . 10 1 1 A 105 105 GLY CA C 85 45.410 56.787 -11.377 1 1 1007 . 10 1 1 A 105 105 GLY N N 85 109.870 120.608 -10.738 1 1 1008 . 10 1 1 A 106 106 VAL H H 86 7.900 8.120 -0.220 1 1 1009 . 10 1 1 A 106 106 VAL HA H 86 4.190 4.375 -0.185 1 1 1017 . 10 1 1 A 106 106 VAL C C 86 176.300 176.259 0.041 1 1 1018 . 10 1 1 A 106 106 VAL CA C 86 62.190 64.018 -1.828 1 1 1019 . 10 1 1 A 106 106 VAL CB C 86 32.860 69.170 -36.310 1 1 1022 . 10 1 1 A 106 106 VAL N N 86 119.330 113.431 5.899 1 1 1023 . 10 1 1 A 107 107 THR H H 87 8.320 8.412 -0.092 1 1 1024 . 10 1 1 A 107 107 THR HA H 87 4.350 4.219 0.131 1 1 1029 . 10 1 1 A 107 107 THR C C 87 174.050 177.638 -3.588 1 1 1030 . 10 1 1 A 107 107 THR CA C 87 61.870 57.613 4.257 1 1 1031 . 10 1 1 A 107 107 THR CB C 87 69.910 29.013 40.897 1 1 1033 . 10 1 1 A 107 107 THR N N 87 119.480 123.351 -3.871 1 1 1034 . 10 1 1 A 108 108 ILE H H 88 8.360 8.598 -0.238 1 1 1035 . 10 1 1 A 108 108 ILE HA H 88 4.470 4.141 0.329 1 1 1045 . 10 1 1 A 108 108 ILE CA C 88 58.410 58.761 -0.351 1 1 1046 . 10 1 1 A 108 108 ILE CB C 88 38.530 28.119 10.411 1 1 1050 . 10 1 1 A 108 108 ILE N N 88 126.140 120.301 5.839 1 1 1051 . 10 1 1 A 109 109 PRO HA H 89 4.380 4.093 0.287 1 1 1058 . 10 1 1 A 109 109 PRO C C 89 176.290 176.642 -0.352 1 1 1059 . 10 1 1 A 109 109 PRO CA C 89 63.210 61.159 2.051 1 1 1060 . 10 1 1 A 109 109 PRO CB C 89 32.220 62.980 -30.760 1 1 1063 . 10 1 1 A 110 110 ASP H H 90 8.370 8.241 0.129 1 1 1064 . 10 1 1 A 110 110 ASP HA H 90 4.580 4.716 -0.136 1 1 1067 . 10 1 1 A 110 110 ASP C C 90 176.200 178.675 -2.475 1 1 1068 . 10 1 1 A 110 110 ASP CA C 90 54.290 57.068 -2.778 1 1 1069 . 10 1 1 A 110 110 ASP CB C 90 41.120 31.470 9.650 1 1 1070 . 10 1 1 A 110 110 ASP N N 90 120.470 119.550 0.920 1 1 1071 . 10 1 1 A 111 111 LEU H H 91 8.250 7.875 0.375 1 1 1072 . 10 1 1 A 111 111 LEU HA H 91 4.370 4.274 0.096 1 1 1081 . 10 1 1 A 111 111 LEU C C 91 177.040 177.819 -0.779 1 1 1082 . 10 1 1 A 111 111 LEU CA C 91 55.060 59.425 -4.365 1 1 1083 . 10 1 1 A 111 111 LEU CB C 91 42.290 29.467 12.823 1 1 1086 . 10 1 1 A 111 111 LEU N N 91 123.570 120.564 3.006 1 1 1087 . 10 1 1 A 112 112 GLY H H 92 8.080 8.072 0.008 1 1 1090 . 10 1 1 A 112 112 GLY CA C 92 46.190 54.923 -8.733 1 1 246 . 11 1 1 A 42 42 THR H H 22 8.820 7.741 1.079 1 1 247 . 11 1 1 A 42 42 THR HA H 22 4.800 4.741 0.059 1 1 252 . 11 1 1 A 42 42 THR C C 22 170.950 174.254 -3.304 1 1 253 . 11 1 1 A 42 42 THR CA C 22 60.870 55.108 5.762 1 1 254 . 11 1 1 A 42 42 THR CB C 22 71.510 35.740 35.770 1 1 256 . 11 1 1 A 42 42 THR N N 22 116.000 117.157 -1.157 1 1 257 . 11 1 1 A 43 43 VAL H H 23 8.140 8.764 -0.624 1 1 258 . 11 1 1 A 43 43 VAL HA H 23 4.830 4.777 0.053 1 1 266 . 11 1 1 A 43 43 VAL C C 23 176.470 173.437 3.033 1 1 267 . 11 1 1 A 43 43 VAL CA C 23 61.540 60.185 1.355 1 1 268 . 11 1 1 A 43 43 VAL CB C 23 32.270 35.570 -3.300 1 1 271 . 11 1 1 A 43 43 VAL N N 23 125.850 119.584 6.266 1 1 272 . 11 1 1 A 44 44 ILE H H 24 9.350 8.754 0.596 1 1 273 . 11 1 1 A 44 44 ILE HA H 24 4.220 4.884 -0.664 1 1 283 . 11 1 1 A 44 44 ILE C C 24 176.050 173.278 2.772 1 1 284 . 11 1 1 A 44 44 ILE CA C 24 60.880 62.200 -1.320 1 1 285 . 11 1 1 A 44 44 ILE CB C 24 40.830 69.450 -28.620 1 1 289 . 11 1 1 A 44 44 ILE N N 24 128.460 123.693 4.767 1 1 290 . 11 1 1 A 45 45 ASP H H 25 9.450 9.160 0.290 1 1 291 . 11 1 1 A 45 45 ASP HA H 25 4.320 5.213 -0.893 1 1 294 . 11 1 1 A 45 45 ASP C C 25 176.060 175.644 0.416 1 1 295 . 11 1 1 A 45 45 ASP CA C 25 55.170 53.504 1.666 1 1 296 . 11 1 1 A 45 45 ASP CB C 25 39.870 42.149 -2.279 1 1 297 . 11 1 1 A 45 45 ASP N N 25 129.730 128.178 1.552 1 1 298 . 11 1 1 A 46 46 GLY H H 26 8.360 8.847 -0.487 1 1 301 . 11 1 1 A 46 46 GLY C C 26 173.150 175.568 -2.418 1 1 302 . 11 1 1 A 46 46 GLY CA C 26 46.190 61.895 -15.705 1 1 303 . 11 1 1 A 46 46 GLY N N 26 102.380 125.442 -23.062 1 1 304 . 11 1 1 A 47 47 LYS H H 27 8.000 9.165 -1.165 1 1 305 . 11 1 1 A 47 47 LYS HA H 27 4.780 4.808 -0.028 1 1 314 . 11 1 1 A 47 47 LYS C C 27 177.050 178.130 -1.080 1 1 315 . 11 1 1 A 47 47 LYS CA C 27 54.870 55.076 -0.206 1 1 316 . 11 1 1 A 47 47 LYS CB C 27 36.020 31.160 4.860 1 1 320 . 11 1 1 A 47 47 LYS N N 27 121.330 126.443 -5.113 1 1 321 . 11 1 1 A 48 48 VAL H H 28 8.160 8.721 -0.561 1 1 322 . 11 1 1 A 48 48 VAL HA H 28 4.450 4.095 0.355 1 1 330 . 11 1 1 A 48 48 VAL C C 28 174.640 177.850 -3.210 1 1 331 . 11 1 1 A 48 48 VAL CA C 28 60.800 64.257 -3.457 1 1 332 . 11 1 1 A 48 48 VAL CB C 28 32.310 37.783 -5.473 1 1 335 . 11 1 1 A 48 48 VAL N N 28 119.880 124.514 -4.634 1 1 336 . 11 1 1 A 49 49 TYR H H 29 9.130 8.442 0.688 1 1 337 . 11 1 1 A 49 49 TYR HA H 29 5.200 4.050 1.150 1 1 344 . 11 1 1 A 49 49 TYR C C 29 174.540 178.922 -4.382 1 1 345 . 11 1 1 A 49 49 TYR CA C 29 56.640 55.884 0.756 1 1 346 . 11 1 1 A 49 49 TYR CB C 29 43.420 18.121 25.299 1 1 349 . 11 1 1 A 49 49 TYR N N 29 124.890 123.377 1.513 1 1 350 . 11 1 1 A 50 50 ASP H H 30 9.000 8.303 0.697 1 1 351 . 11 1 1 A 50 50 ASP HA H 30 5.330 4.380 0.950 1 1 354 . 11 1 1 A 50 50 ASP C C 30 176.020 178.304 -2.284 1 1 355 . 11 1 1 A 50 50 ASP CA C 30 53.180 57.096 -3.916 1 1 356 . 11 1 1 A 50 50 ASP CB C 30 40.910 41.605 -0.695 1 1 357 . 11 1 1 A 50 50 ASP N N 30 119.790 118.133 1.657 1 1 358 . 11 1 1 A 51 51 ILE H H 31 8.700 8.153 0.547 1 1 359 . 11 1 1 A 51 51 ILE HA H 31 3.710 4.264 -0.554 1 1 369 . 11 1 1 A 51 51 ILE C C 31 178.070 178.761 -0.691 1 1 370 . 11 1 1 A 51 51 ILE CA C 31 60.750 58.053 2.697 1 1 371 . 11 1 1 A 51 51 ILE CB C 31 35.230 41.805 -6.575 1 1 375 . 11 1 1 A 51 51 ILE N N 31 125.270 120.866 4.404 1 1 376 . 11 1 1 A 52 52 LYS H H 32 8.030 8.110 -0.080 1 1 377 . 11 1 1 A 52 52 LYS HA H 32 4.340 3.922 0.418 1 1 386 . 11 1 1 A 52 52 LYS C C 32 179.540 179.104 0.436 1 1 387 . 11 1 1 A 52 52 LYS CA C 32 59.380 59.687 -0.307 1 1 388 . 11 1 1 A 52 52 LYS CB C 32 31.930 29.189 2.741 1 1 392 . 11 1 1 A 52 52 LYS N N 32 120.520 118.864 1.656 1 1 393 . 11 1 1 A 53 53 ASP H H 33 7.810 8.086 -0.276 1 1 394 . 11 1 1 A 53 53 ASP HA H 33 4.620 4.384 0.236 1 1 397 . 11 1 1 A 53 53 ASP C C 33 177.670 178.013 -0.343 1 1 398 . 11 1 1 A 53 53 ASP CA C 33 56.840 56.296 0.544 1 1 399 . 11 1 1 A 53 53 ASP CB C 33 41.220 38.487 2.733 1 1 400 . 11 1 1 A 53 53 ASP N N 33 120.590 118.336 2.254 1 1 401 . 11 1 1 A 54 54 PHE H H 34 7.660 7.939 -0.279 1 1 402 . 11 1 1 A 54 54 PHE HA H 34 3.100 3.994 -0.894 1 1 410 . 11 1 1 A 54 54 PHE C C 34 176.960 176.830 0.130 1 1 411 . 11 1 1 A 54 54 PHE CA C 34 60.670 59.684 0.986 1 1 412 . 11 1 1 A 54 54 PHE CB C 34 38.870 29.120 9.750 1 1 416 . 11 1 1 A 54 54 PHE N N 34 120.480 120.339 0.141 1 1 417 . 11 1 1 A 55 55 GLN H H 35 8.860 7.976 0.884 1 1 418 . 11 1 1 A 55 55 GLN HA H 35 3.660 4.350 -0.690 1 1 425 . 11 1 1 A 55 55 GLN C C 35 178.510 177.658 0.852 1 1 426 . 11 1 1 A 55 55 GLN CA C 35 58.980 56.720 2.260 1 1 427 . 11 1 1 A 55 55 GLN CB C 35 29.450 38.768 -9.318 1 1 429 . 11 1 1 A 55 55 GLN N N 35 119.060 116.782 2.278 1 1 431 . 11 1 1 A 56 56 THR H H 36 8.150 7.840 0.310 1 1 432 . 11 1 1 A 56 56 THR HA H 36 3.930 4.504 -0.574 1 1 437 . 11 1 1 A 56 56 THR C C 36 176.550 177.508 -0.958 1 1 438 . 11 1 1 A 56 56 THR CA C 36 66.070 55.687 10.383 1 1 439 . 11 1 1 A 56 56 THR CB C 36 69.030 37.907 31.123 1 1 441 . 11 1 1 A 56 56 THR N N 36 115.130 117.096 -1.966 1 1 442 . 11 1 1 A 57 57 GLN H H 37 8.230 7.587 0.643 1 1 443 . 11 1 1 A 57 57 GLN HA H 37 4.210 4.545 -0.335 1 1 450 . 11 1 1 A 57 57 GLN CA C 37 58.050 54.372 3.678 1 1 451 . 11 1 1 A 57 57 GLN CB C 37 28.290 41.045 -12.755 1 1 453 . 11 1 1 A 57 57 GLN N N 37 119.670 116.954 2.716 1 1 458 . 11 1 1 A 58 58 SER C C 38 174.020 175.052 -1.032 1 1 459 . 11 1 1 A 58 58 SER CA C 38 60.500 45.300 15.200 1 1 461 . 11 1 1 A 59 59 LEU H H 39 7.320 7.332 -0.012 1 1 465 . 11 1 1 A 59 59 LEU CA C 39 55.140 46.371 8.769 1 1 467 . 11 1 1 A 59 59 LEU N N 39 120.250 107.750 12.500 1 1 468 . 11 1 1 A 60 60 THR H H 40 7.510 8.682 -1.172 1 1 469 . 11 1 1 A 60 60 THR HA H 40 4.250 4.899 -0.649 1 1 474 . 11 1 1 A 60 60 THR C C 40 174.900 174.598 0.302 1 1 475 . 11 1 1 A 60 60 THR CA C 40 62.320 57.227 5.093 1 1 476 . 11 1 1 A 60 60 THR CB C 40 70.110 39.165 30.945 1 1 478 . 11 1 1 A 60 60 THR N N 40 112.820 126.264 -13.444 1 1 479 . 11 1 1 A 61 61 GLU H H 41 8.510 8.986 -0.476 1 1 480 . 11 1 1 A 61 61 GLU HA H 41 4.100 5.405 -1.305 1 1 485 . 11 1 1 A 61 61 GLU C C 41 176.720 175.609 1.111 1 1 486 . 11 1 1 A 61 61 GLU CA C 41 57.840 56.356 1.484 1 1 487 . 11 1 1 A 61 61 GLU CB C 41 29.840 32.975 -3.135 1 1 489 . 11 1 1 A 61 61 GLU N N 41 123.410 127.407 -3.997 1 1 490 . 11 1 1 A 62 62 ASN H H 42 8.600 8.917 -0.317 1 1 491 . 11 1 1 A 62 62 ASN HA H 42 4.580 4.805 -0.225 1 1 496 . 11 1 1 A 62 62 ASN C C 42 174.940 172.591 2.349 1 1 497 . 11 1 1 A 62 62 ASN CA C 42 53.760 60.804 -7.044 1 1 498 . 11 1 1 A 62 62 ASN CB C 42 38.130 71.766 -33.636 1 1 499 . 11 1 1 A 62 62 ASN N N 42 117.760 114.604 3.156 1 1 501 . 11 1 1 A 63 63 SER H H 43 7.800 8.670 -0.870 1 1 502 . 11 1 1 A 63 63 SER HA H 43 4.400 4.802 -0.402 1 1 505 . 11 1 1 A 63 63 SER C C 43 177.320 175.127 2.193 1 1 506 . 11 1 1 A 63 63 SER CA C 43 58.730 61.925 -3.195 1 1 507 . 11 1 1 A 63 63 SER CB C 43 64.210 31.534 32.676 1 1 508 . 11 1 1 A 63 63 SER N N 43 114.610 127.389 -12.779 1 1 509 . 11 1 1 A 64 64 ILE H H 44 8.710 8.882 -0.172 1 1 510 . 11 1 1 A 64 64 ILE HA H 44 4.180 4.537 -0.357 1 1 520 . 11 1 1 A 64 64 ILE C C 44 176.550 175.966 0.584 1 1 521 . 11 1 1 A 64 64 ILE CA C 44 63.280 60.389 2.891 1 1 522 . 11 1 1 A 64 64 ILE CB C 44 38.110 39.843 -1.733 1 1 526 . 11 1 1 A 64 64 ILE N N 44 125.240 127.307 -2.067 1 1 527 . 11 1 1 A 65 65 LEU H H 45 8.160 9.392 -1.232 1 1 528 . 11 1 1 A 65 65 LEU HA H 45 4.450 4.283 0.167 1 1 538 . 11 1 1 A 65 65 LEU C C 45 177.800 175.378 2.422 1 1 539 . 11 1 1 A 65 65 LEU CA C 45 54.820 55.093 -0.273 1 1 540 . 11 1 1 A 65 65 LEU CB C 45 41.790 39.843 1.947 1 1 544 . 11 1 1 A 65 65 LEU N N 45 118.980 128.061 -9.081 1 1 545 . 11 1 1 A 66 66 ALA H H 46 7.700 8.656 -0.956 1 1 550 . 11 1 1 A 66 66 ALA C C 46 179.870 173.798 6.072 1 1 551 . 11 1 1 A 66 66 ALA CA C 46 54.980 45.452 9.528 1 1 553 . 11 1 1 A 66 66 ALA N N 46 122.830 104.405 18.425 1 1 554 . 11 1 1 A 67 67 GLN H H 47 7.920 7.636 0.284 1 1 555 . 11 1 1 A 67 67 GLN HA H 47 4.110 4.720 -0.610 1 1 562 . 11 1 1 A 67 67 GLN C C 47 175.990 175.014 0.976 1 1 563 . 11 1 1 A 67 67 GLN CA C 47 57.170 54.010 3.160 1 1 564 . 11 1 1 A 67 67 GLN CB C 47 28.180 35.277 -7.097 1 1 566 . 11 1 1 A 67 67 GLN N N 47 115.030 120.089 -5.059 1 1 568 . 11 1 1 A 68 68 PHE H H 48 7.790 8.309 -0.519 1 1 569 . 11 1 1 A 68 68 PHE HA H 48 4.690 4.765 -0.075 1 1 576 . 11 1 1 A 68 68 PHE C C 48 175.620 174.529 1.091 1 1 577 . 11 1 1 A 68 68 PHE CA C 48 57.220 60.911 -3.691 1 1 578 . 11 1 1 A 68 68 PHE CB C 48 39.320 32.935 6.385 1 1 581 . 11 1 1 A 68 68 PHE N N 48 118.560 121.141 -2.581 1 1 582 . 11 1 1 A 69 69 ALA H H 49 7.600 8.988 -1.388 1 1 583 . 11 1 1 A 69 69 ALA HA H 49 4.120 5.410 -1.290 1 1 587 . 11 1 1 A 69 69 ALA C C 49 178.250 175.157 3.093 1 1 588 . 11 1 1 A 69 69 ALA CA C 49 53.920 55.968 -2.048 1 1 589 . 11 1 1 A 69 69 ALA CB C 49 18.660 41.578 -22.918 1 1 590 . 11 1 1 A 69 69 ALA N N 49 123.340 126.305 -2.965 1 1 591 . 11 1 1 A 70 70 GLY H H 50 8.500 8.400 0.100 1 1 594 . 11 1 1 A 70 70 GLY C C 50 174.070 176.327 -2.257 1 1 595 . 11 1 1 A 70 70 GLY CA C 50 45.390 53.263 -7.873 1 1 596 . 11 1 1 A 70 70 GLY N N 50 108.770 121.232 -12.462 1 1 597 . 11 1 1 A 71 71 GLU H H 51 7.800 8.762 -0.962 1 1 598 . 11 1 1 A 71 71 GLU HA H 51 4.430 4.253 0.177 1 1 603 . 11 1 1 A 71 71 GLU C C 51 176.220 177.418 -1.198 1 1 604 . 11 1 1 A 71 71 GLU CA C 51 55.430 61.883 -6.453 1 1 605 . 11 1 1 A 71 71 GLU CB C 51 30.980 38.496 -7.516 1 1 607 . 11 1 1 A 71 71 GLU N N 51 119.390 121.104 -1.714 1 1 608 . 11 1 1 A 72 72 ASP H H 52 8.830 8.033 0.797 1 1 609 . 11 1 1 A 72 72 ASP HA H 52 4.850 4.162 0.688 1 1 612 . 11 1 1 A 72 72 ASP CA C 52 52.110 59.985 -7.875 1 1 613 . 11 1 1 A 72 72 ASP CB C 52 42.070 32.404 9.666 1 1 614 . 11 1 1 A 72 72 ASP N N 52 123.830 123.412 0.418 1 1 615 . 11 1 1 A 73 73 PRO HA H 53 4.410 4.517 -0.107 1 1 622 . 11 1 1 A 73 73 PRO C C 53 177.290 178.638 -1.348 1 1 623 . 11 1 1 A 73 73 PRO CA C 53 64.940 57.150 7.790 1 1 624 . 11 1 1 A 73 73 PRO CB C 53 32.130 40.543 -8.413 1 1 627 . 11 1 1 A 74 74 VAL H H 54 7.950 8.290 -0.340 1 1 628 . 11 1 1 A 74 74 VAL HA H 54 3.360 4.359 -0.999 1 1 636 . 11 1 1 A 74 74 VAL C C 54 177.540 177.924 -0.384 1 1 637 . 11 1 1 A 74 74 VAL CA C 54 66.820 62.187 4.633 1 1 638 . 11 1 1 A 74 74 VAL CB C 54 31.310 39.292 -7.982 1 1 641 . 11 1 1 A 74 74 VAL N N 54 118.670 120.821 -2.151 1 1 642 . 11 1 1 A 75 75 VAL H H 55 7.090 8.483 -1.393 1 1 643 . 11 1 1 A 75 75 VAL HA H 55 3.620 4.331 -0.711 1 1 651 . 11 1 1 A 75 75 VAL C C 55 175.050 177.893 -2.843 1 1 652 . 11 1 1 A 75 75 VAL CA C 55 65.440 58.631 6.809 1 1 653 . 11 1 1 A 75 75 VAL CB C 55 32.210 27.563 4.647 1 1 656 . 11 1 1 A 75 75 VAL N N 55 120.340 117.641 2.699 1 1 657 . 11 1 1 A 76 76 ALA H H 56 8.050 7.933 0.117 1 1 658 . 11 1 1 A 76 76 ALA HA H 56 3.870 3.919 -0.049 1 1 662 . 11 1 1 A 76 76 ALA C C 56 178.160 177.168 0.992 1 1 663 . 11 1 1 A 76 76 ALA CA C 56 54.840 66.749 -11.909 1 1 664 . 11 1 1 A 76 76 ALA CB C 56 19.250 68.254 -49.004 1 1 665 . 11 1 1 A 76 76 ALA N N 56 121.910 118.981 2.929 1 1 666 . 11 1 1 A 77 77 LEU H H 57 7.720 7.702 0.018 1 1 667 . 11 1 1 A 77 77 LEU HA H 57 3.170 4.205 -1.035 1 1 677 . 11 1 1 A 77 77 LEU C C 57 178.010 178.902 -0.892 1 1 678 . 11 1 1 A 77 77 LEU CA C 57 58.260 58.184 0.076 1 1 679 . 11 1 1 A 77 77 LEU CB C 57 39.970 27.662 12.308 1 1 683 . 11 1 1 A 77 77 LEU N N 57 120.030 120.338 -0.308 1 1 684 . 11 1 1 A 78 78 GLU H H 58 7.840 7.980 -0.140 1 1 685 . 11 1 1 A 78 78 GLU HA H 58 3.510 4.354 -0.844 1 1 690 . 11 1 1 A 78 78 GLU C C 58 179.140 176.537 2.603 1 1 691 . 11 1 1 A 78 78 GLU CA C 58 60.290 60.825 -0.535 1 1 692 . 11 1 1 A 78 78 GLU CB C 58 29.420 62.880 -33.460 1 1 694 . 11 1 1 A 78 78 GLU N N 58 116.990 116.402 0.588 1 1 695 . 11 1 1 A 79 79 ALA H H 59 7.710 7.896 -0.186 1 1 696 . 11 1 1 A 79 79 ALA HA H 59 3.940 4.118 -0.178 1 1 700 . 11 1 1 A 79 79 ALA C C 59 180.360 177.366 2.994 1 1 701 . 11 1 1 A 79 79 ALA CA C 59 54.790 58.107 -3.317 1 1 702 . 11 1 1 A 79 79 ALA CB C 59 17.930 41.863 -23.933 1 1 703 . 11 1 1 A 79 79 ALA N N 59 120.690 124.290 -3.600 1 1 704 . 11 1 1 A 80 80 ALA H H 60 8.220 7.505 0.715 1 1 705 . 11 1 1 A 80 80 ALA HA H 60 3.970 4.230 -0.260 1 1 709 . 11 1 1 A 80 80 ALA C C 60 180.570 175.505 5.065 1 1 710 . 11 1 1 A 80 80 ALA CA C 60 54.160 64.205 -10.045 1 1 711 . 11 1 1 A 80 80 ALA CB C 60 18.830 69.235 -50.405 1 1 712 . 11 1 1 A 80 80 ALA N N 60 122.230 113.280 8.950 1 1 713 . 11 1 1 A 81 81 LEU H H 61 7.800 8.801 -1.001 1 1 714 . 11 1 1 A 81 81 LEU HA H 61 3.890 4.071 -0.181 1 1 724 . 11 1 1 A 81 81 LEU C C 61 177.590 176.886 0.704 1 1 725 . 11 1 1 A 81 81 LEU CA C 61 56.650 58.383 -1.733 1 1 726 . 11 1 1 A 81 81 LEU CB C 61 42.630 28.471 14.159 1 1 730 . 11 1 1 A 81 81 LEU N N 61 116.150 125.474 -9.324 1 1 731 . 11 1 1 A 82 82 GLN H H 62 7.450 7.697 -0.247 1 1 732 . 11 1 1 A 82 82 GLN HA H 62 4.250 4.873 -0.623 1 1 739 . 11 1 1 A 82 82 GLN C C 62 176.120 174.773 1.347 1 1 740 . 11 1 1 A 82 82 GLN CA C 62 55.880 53.033 2.847 1 1 741 . 11 1 1 A 82 82 GLN CB C 62 29.330 39.271 -9.941 1 1 743 . 11 1 1 A 82 82 GLN N N 62 115.740 117.927 -2.187 1 1 745 . 11 1 1 A 83 83 PHE H H 63 7.300 7.390 -0.090 1 1 746 . 11 1 1 A 83 83 PHE HA H 63 4.900 4.530 0.370 1 1 753 . 11 1 1 A 83 83 PHE C C 63 176.470 176.054 0.416 1 1 754 . 11 1 1 A 83 83 PHE CA C 63 56.260 56.865 -0.605 1 1 755 . 11 1 1 A 83 83 PHE CB C 63 39.000 65.917 -26.917 1 1 758 . 11 1 1 A 83 83 PHE N N 63 120.420 114.057 6.363 1 1 759 . 11 1 1 A 84 84 GLU H H 64 9.090 8.885 0.205 1 1 760 . 11 1 1 A 84 84 GLU HA H 64 3.850 3.904 -0.054 1 1 765 . 11 1 1 A 84 84 GLU C C 64 178.010 176.616 1.394 1 1 766 . 11 1 1 A 84 84 GLU CA C 64 59.910 63.887 -3.977 1 1 767 . 11 1 1 A 84 84 GLU CB C 64 29.640 37.711 -8.071 1 1 769 . 11 1 1 A 84 84 GLU N N 64 126.260 118.432 7.828 1 1 770 . 11 1 1 A 85 85 ASP H H 65 7.670 7.747 -0.077 1 1 771 . 11 1 1 A 85 85 ASP HA H 65 4.480 4.536 -0.056 1 1 774 . 11 1 1 A 85 85 ASP C C 65 177.530 178.594 -1.064 1 1 775 . 11 1 1 A 85 85 ASP CA C 65 56.290 55.843 0.447 1 1 776 . 11 1 1 A 85 85 ASP CB C 65 40.480 41.860 -1.380 1 1 777 . 11 1 1 A 85 85 ASP N N 65 114.070 121.593 -7.523 1 1 778 . 11 1 1 A 86 86 THR H H 66 7.560 7.558 0.002 1 1 779 . 11 1 1 A 86 86 THR HA H 66 4.530 4.023 0.507 1 1 784 . 11 1 1 A 86 86 THR C C 66 176.820 180.272 -3.452 1 1 785 . 11 1 1 A 86 86 THR CA C 66 62.380 55.033 7.347 1 1 786 . 11 1 1 A 86 86 THR CB C 66 70.200 18.112 52.088 1 1 788 . 11 1 1 A 86 86 THR N N 66 106.640 122.228 -15.588 1 1 789 . 11 1 1 A 87 87 ARG H H 67 8.100 8.350 -0.250 1 1 790 . 11 1 1 A 87 87 ARG HA H 67 4.020 4.028 -0.008 1 1 797 . 11 1 1 A 87 87 ARG C C 67 178.760 176.670 2.090 1 1 798 . 11 1 1 A 87 87 ARG CA C 67 61.140 58.128 3.012 1 1 799 . 11 1 1 A 87 87 ARG CB C 67 30.220 27.736 2.484 1 1 802 . 11 1 1 A 87 87 ARG N N 67 124.220 115.927 8.293 1 1 803 . 11 1 1 A 88 88 GLU H H 68 8.790 7.769 1.021 1 1 804 . 11 1 1 A 88 88 GLU HA H 68 4.090 4.482 -0.392 1 1 809 . 11 1 1 A 88 88 GLU C C 68 179.320 175.859 3.461 1 1 810 . 11 1 1 A 88 88 GLU CA C 68 59.150 58.684 0.466 1 1 811 . 11 1 1 A 88 88 GLU CB C 68 28.930 38.843 -9.913 1 1 813 . 11 1 1 A 88 88 GLU N N 68 118.790 117.620 1.170 1 1 814 . 11 1 1 A 89 89 SER H H 69 8.140 7.685 0.455 1 1 815 . 11 1 1 A 89 89 SER HA H 69 4.390 4.109 0.281 1 1 818 . 11 1 1 A 89 89 SER C C 69 176.100 178.114 -2.014 1 1 819 . 11 1 1 A 89 89 SER CA C 69 61.000 53.357 7.643 1 1 820 . 11 1 1 A 89 89 SER CB C 69 63.190 18.355 44.835 1 1 821 . 11 1 1 A 89 89 SER N N 69 115.570 122.829 -7.259 1 1 822 . 11 1 1 A 90 90 MET H H 70 7.690 8.742 -1.052 1 1 831 . 11 1 1 A 90 90 MET C C 70 177.990 174.451 3.539 1 1 832 . 11 1 1 A 90 90 MET CA C 70 55.140 45.478 9.662 1 1 836 . 11 1 1 A 90 90 MET N N 70 118.160 111.350 6.810 1 1 837 . 11 1 1 A 91 91 HIS H H 71 7.740 7.942 -0.202 1 1 838 . 11 1 1 A 91 91 HIS HA H 71 4.430 4.613 -0.183 1 1 842 . 11 1 1 A 91 91 HIS C C 71 177.460 175.840 1.620 1 1 843 . 11 1 1 A 91 91 HIS CA C 71 58.830 55.300 3.530 1 1 844 . 11 1 1 A 91 91 HIS CB C 71 29.680 31.302 -1.622 1 1 846 . 11 1 1 A 91 91 HIS N N 71 118.990 121.490 -2.500 1 1 847 . 11 1 1 A 92 92 ALA H H 72 7.230 8.432 -1.202 1 1 848 . 11 1 1 A 92 92 ALA HA H 72 3.900 4.713 -0.813 1 1 852 . 11 1 1 A 92 92 ALA C C 72 177.850 176.845 1.005 1 1 853 . 11 1 1 A 92 92 ALA CA C 72 53.840 52.104 1.736 1 1 854 . 11 1 1 A 92 92 ALA CB C 72 18.250 41.955 -23.705 1 1 855 . 11 1 1 A 92 92 ALA N N 72 120.170 125.864 -5.694 1 1 857 . 11 1 1 A 93 93 PHE HA H 73 4.970 4.471 0.499 1 1 865 . 11 1 1 A 93 93 PHE C C 73 174.000 178.677 -4.677 1 1 866 . 11 1 1 A 93 93 PHE CA C 73 56.420 65.779 -9.359 1 1 867 . 11 1 1 A 93 93 PHE CB C 73 39.050 31.809 7.241 1 1 871 . 11 1 1 A 93 93 PHE N N 73 113.910 141.694 -27.784 1 1 872 . 11 1 1 A 94 94 CYS H H 74 7.690 6.848 0.842 1 1 873 . 11 1 1 A 94 94 CYS HA H 74 4.120 3.513 0.607 1 1 876 . 11 1 1 A 94 94 CYS C C 74 174.900 177.905 -3.005 1 1 877 . 11 1 1 A 94 94 CYS CA C 74 58.200 65.438 -7.238 1 1 878 . 11 1 1 A 94 94 CYS CB C 74 27.320 31.626 -4.306 1 1 879 . 11 1 1 A 94 94 CYS N N 74 121.190 115.934 5.256 1 1 880 . 11 1 1 A 95 95 VAL H H 75 8.770 7.689 1.081 1 1 881 . 11 1 1 A 95 95 VAL HA H 75 3.820 3.504 0.316 1 1 889 . 11 1 1 A 95 95 VAL C C 75 175.640 178.380 -2.740 1 1 890 . 11 1 1 A 95 95 VAL CA C 75 62.250 66.334 -4.084 1 1 891 . 11 1 1 A 95 95 VAL CB C 75 32.280 31.544 0.736 1 1 894 . 11 1 1 A 95 95 VAL N N 75 128.310 120.018 8.292 1 1 895 . 11 1 1 A 96 96 GLY H H 76 7.130 8.053 -0.923 1 1 898 . 11 1 1 A 96 96 GLY C C 76 171.220 179.533 -8.313 1 1 899 . 11 1 1 A 96 96 GLY CA C 76 44.940 54.944 -10.004 1 1 900 . 11 1 1 A 96 96 GLY N N 76 105.330 121.648 -16.318 1 1 901 . 11 1 1 A 97 97 GLN H H 77 8.590 7.640 0.950 1 1 902 . 11 1 1 A 97 97 GLN HA H 77 4.460 3.863 0.597 1 1 909 . 11 1 1 A 97 97 GLN C C 77 174.070 178.544 -4.474 1 1 910 . 11 1 1 A 97 97 GLN CA C 77 54.860 57.246 -2.386 1 1 911 . 11 1 1 A 97 97 GLN CB C 77 30.820 41.144 -10.324 1 1 913 . 11 1 1 A 97 97 GLN N N 77 120.500 120.264 0.236 1 1 915 . 11 1 1 A 98 98 TYR H H 78 8.440 8.007 0.433 1 1 916 . 11 1 1 A 98 98 TYR HA H 78 4.960 3.885 1.075 1 1 923 . 11 1 1 A 98 98 TYR C C 78 174.460 179.143 -4.683 1 1 924 . 11 1 1 A 98 98 TYR CA C 78 56.660 59.367 -2.707 1 1 925 . 11 1 1 A 98 98 TYR CB C 78 40.450 29.451 10.999 1 1 928 . 11 1 1 A 98 98 TYR N N 78 125.460 118.250 7.210 1 1 929 . 11 1 1 A 99 99 LEU H H 79 8.100 7.927 0.173 1 1 930 . 11 1 1 A 99 99 LEU HA H 79 4.360 4.111 0.249 1 1 940 . 11 1 1 A 99 99 LEU C C 79 173.790 180.496 -6.706 1 1 941 . 11 1 1 A 99 99 LEU CA C 79 53.110 54.826 -1.716 1 1 942 . 11 1 1 A 99 99 LEU CB C 79 43.200 18.180 25.020 1 1 946 . 11 1 1 A 99 99 LEU N N 79 131.670 123.443 8.227 1 1 947 . 11 1 1 A 100 100 GLU H H 80 8.160 7.440 0.720 1 1 948 . 11 1 1 A 100 100 GLU HA H 80 4.140 4.397 -0.257 1 1 953 . 11 1 1 A 100 100 GLU CA C 80 54.540 54.502 0.038 1 1 954 . 11 1 1 A 100 100 GLU CB C 80 29.270 18.177 11.093 1 1 956 . 11 1 1 A 100 100 GLU N N 80 125.120 120.731 4.389 1 1 957 . 11 1 1 A 101 101 PRO HA H 81 4.380 4.017 0.363 1 1 964 . 11 1 1 A 101 101 PRO C C 81 177.370 178.797 -1.427 1 1 965 . 11 1 1 A 101 101 PRO CA C 81 64.050 57.392 6.658 1 1 966 . 11 1 1 A 101 101 PRO CB C 81 32.130 41.470 -9.340 1 1 969 . 11 1 1 A 102 102 ASP H H 82 8.430 7.612 0.818 1 1 970 . 11 1 1 A 102 102 ASP HA H 82 4.550 4.082 0.468 1 1 973 . 11 1 1 A 102 102 ASP C C 82 176.950 176.387 0.563 1 1 974 . 11 1 1 A 102 102 ASP CA C 82 54.680 57.937 -3.257 1 1 975 . 11 1 1 A 102 102 ASP CB C 82 40.630 28.923 11.707 1 1 976 . 11 1 1 A 102 102 ASP N N 82 118.470 118.134 0.336 1 1 977 . 11 1 1 A 103 103 GLN H H 83 8.230 7.662 0.568 1 1 978 . 11 1 1 A 103 103 GLN HA H 83 4.340 4.885 -0.545 1 1 985 . 11 1 1 A 103 103 GLN C C 83 176.210 176.374 -0.164 1 1 986 . 11 1 1 A 103 103 GLN CA C 83 55.640 57.144 -1.504 1 1 987 . 11 1 1 A 103 103 GLN CB C 83 29.630 39.704 -10.074 1 1 989 . 11 1 1 A 103 103 GLN N N 83 119.650 120.729 -1.079 1 1 991 . 11 1 1 A 104 104 GLU H H 84 8.250 8.780 -0.530 1 1 992 . 11 1 1 A 104 104 GLU HA H 84 4.220 4.040 0.180 1 1 997 . 11 1 1 A 104 104 GLU C C 84 177.100 177.640 -0.540 1 1 998 . 11 1 1 A 104 104 GLU CA C 84 57.220 59.133 -1.913 1 1 999 . 11 1 1 A 104 104 GLU CB C 84 30.320 29.001 1.319 1 1 1001 . 11 1 1 A 104 104 GLU N N 84 121.670 126.575 -4.905 1 1 1002 . 11 1 1 A 105 105 GLY H H 85 8.450 7.166 1.284 1 1 1005 . 11 1 1 A 105 105 GLY C C 85 174.000 177.522 -3.522 1 1 1006 . 11 1 1 A 105 105 GLY CA C 85 45.410 55.910 -10.500 1 1 1007 . 11 1 1 A 105 105 GLY N N 85 109.870 119.108 -9.238 1 1 1008 . 11 1 1 A 106 106 VAL H H 86 7.900 7.070 0.830 1 1 1009 . 11 1 1 A 106 106 VAL HA H 86 4.190 4.606 -0.416 1 1 1017 . 11 1 1 A 106 106 VAL C C 86 176.300 175.874 0.426 1 1 1018 . 11 1 1 A 106 106 VAL CA C 86 62.190 62.074 0.116 1 1 1019 . 11 1 1 A 106 106 VAL CB C 86 32.860 70.563 -37.703 1 1 1022 . 11 1 1 A 106 106 VAL N N 86 119.330 107.500 11.830 1 1 1023 . 11 1 1 A 107 107 THR H H 87 8.320 8.225 0.095 1 1 1024 . 11 1 1 A 107 107 THR HA H 87 4.350 4.214 0.136 1 1 1029 . 11 1 1 A 107 107 THR C C 87 174.050 178.191 -4.141 1 1 1030 . 11 1 1 A 107 107 THR CA C 87 61.870 57.982 3.888 1 1 1031 . 11 1 1 A 107 107 THR CB C 87 69.910 29.347 40.563 1 1 1033 . 11 1 1 A 107 107 THR N N 87 119.480 122.493 -3.013 1 1 1034 . 11 1 1 A 108 108 ILE H H 88 8.360 8.358 0.002 1 1 1035 . 11 1 1 A 108 108 ILE HA H 88 4.470 3.928 0.542 1 1 1045 . 11 1 1 A 108 108 ILE CA C 88 58.410 59.133 -0.723 1 1 1046 . 11 1 1 A 108 108 ILE CB C 88 38.530 28.831 9.699 1 1 1050 . 11 1 1 A 108 108 ILE N N 88 126.140 120.237 5.903 1 1 1051 . 11 1 1 A 109 109 PRO HA H 89 4.380 4.262 0.118 1 1 1058 . 11 1 1 A 109 109 PRO C C 89 176.290 176.875 -0.585 1 1 1059 . 11 1 1 A 109 109 PRO CA C 89 63.210 61.259 1.951 1 1 1060 . 11 1 1 A 109 109 PRO CB C 89 32.220 63.207 -30.987 1 1 1063 . 11 1 1 A 110 110 ASP H H 90 8.370 8.340 0.030 1 1 1064 . 11 1 1 A 110 110 ASP HA H 90 4.580 4.952 -0.372 1 1 1067 . 11 1 1 A 110 110 ASP C C 90 176.200 178.105 -1.905 1 1 1068 . 11 1 1 A 110 110 ASP CA C 90 54.290 56.769 -2.479 1 1 1069 . 11 1 1 A 110 110 ASP CB C 90 41.120 31.886 9.234 1 1 1070 . 11 1 1 A 110 110 ASP N N 90 120.470 120.058 0.412 1 1 1071 . 11 1 1 A 111 111 LEU H H 91 8.250 8.350 -0.100 1 1 1072 . 11 1 1 A 111 111 LEU HA H 91 4.370 4.317 0.053 1 1 1081 . 11 1 1 A 111 111 LEU C C 91 177.040 177.197 -0.157 1 1 1082 . 11 1 1 A 111 111 LEU CA C 91 55.060 59.770 -4.710 1 1 1083 . 11 1 1 A 111 111 LEU CB C 91 42.290 29.590 12.700 1 1 1086 . 11 1 1 A 111 111 LEU N N 91 123.570 117.343 6.227 1 1 1087 . 11 1 1 A 112 112 GLY H H 92 8.080 7.885 0.195 1 1 1090 . 11 1 1 A 112 112 GLY CA C 92 46.190 54.587 -8.397 1 1 246 . 12 1 1 A 42 42 THR H H 22 8.820 8.149 0.671 1 1 247 . 12 1 1 A 42 42 THR HA H 22 4.800 4.445 0.355 1 1 252 . 12 1 1 A 42 42 THR C C 22 170.950 174.793 -3.843 1 1 253 . 12 1 1 A 42 42 THR CA C 22 60.870 54.808 6.062 1 1 254 . 12 1 1 A 42 42 THR CB C 22 71.510 32.953 38.557 1 1 256 . 12 1 1 A 42 42 THR N N 22 116.000 119.178 -3.178 1 1 257 . 12 1 1 A 43 43 VAL H H 23 8.140 8.714 -0.574 1 1 258 . 12 1 1 A 43 43 VAL HA H 23 4.830 4.414 0.416 1 1 266 . 12 1 1 A 43 43 VAL C C 23 176.470 175.848 0.622 1 1 267 . 12 1 1 A 43 43 VAL CA C 23 61.540 61.640 -0.100 1 1 268 . 12 1 1 A 43 43 VAL CB C 23 32.270 33.283 -1.013 1 1 271 . 12 1 1 A 43 43 VAL N N 23 125.850 124.586 1.264 1 1 272 . 12 1 1 A 44 44 ILE H H 24 9.350 8.649 0.701 1 1 273 . 12 1 1 A 44 44 ILE HA H 24 4.220 4.253 -0.033 1 1 283 . 12 1 1 A 44 44 ILE C C 24 176.050 174.004 2.046 1 1 284 . 12 1 1 A 44 44 ILE CA C 24 60.880 63.452 -2.572 1 1 285 . 12 1 1 A 44 44 ILE CB C 24 40.830 68.722 -27.892 1 1 289 . 12 1 1 A 44 44 ILE N N 24 128.460 122.675 5.785 1 1 290 . 12 1 1 A 45 45 ASP H H 25 9.450 8.971 0.479 1 1 291 . 12 1 1 A 45 45 ASP HA H 25 4.320 4.912 -0.592 1 1 294 . 12 1 1 A 45 45 ASP C C 25 176.060 175.968 0.092 1 1 295 . 12 1 1 A 45 45 ASP CA C 25 55.170 54.151 1.019 1 1 296 . 12 1 1 A 45 45 ASP CB C 25 39.870 40.949 -1.079 1 1 297 . 12 1 1 A 45 45 ASP N N 25 129.730 128.535 1.195 1 1 298 . 12 1 1 A 46 46 GLY H H 26 8.360 8.747 -0.387 1 1 301 . 12 1 1 A 46 46 GLY C C 26 173.150 175.531 -2.381 1 1 302 . 12 1 1 A 46 46 GLY CA C 26 46.190 61.740 -15.550 1 1 303 . 12 1 1 A 46 46 GLY N N 26 102.380 125.492 -23.112 1 1 304 . 12 1 1 A 47 47 LYS H H 27 8.000 8.876 -0.876 1 1 305 . 12 1 1 A 47 47 LYS HA H 27 4.780 4.917 -0.137 1 1 314 . 12 1 1 A 47 47 LYS C C 27 177.050 178.104 -1.054 1 1 315 . 12 1 1 A 47 47 LYS CA C 27 54.870 54.892 -0.022 1 1 316 . 12 1 1 A 47 47 LYS CB C 27 36.020 31.628 4.392 1 1 320 . 12 1 1 A 47 47 LYS N N 27 121.330 126.424 -5.094 1 1 321 . 12 1 1 A 48 48 VAL H H 28 8.160 8.715 -0.555 1 1 322 . 12 1 1 A 48 48 VAL HA H 28 4.450 4.130 0.320 1 1 330 . 12 1 1 A 48 48 VAL C C 28 174.640 177.941 -3.301 1 1 331 . 12 1 1 A 48 48 VAL CA C 28 60.800 64.108 -3.308 1 1 332 . 12 1 1 A 48 48 VAL CB C 28 32.310 37.612 -5.302 1 1 335 . 12 1 1 A 48 48 VAL N N 28 119.880 124.607 -4.727 1 1 336 . 12 1 1 A 49 49 TYR H H 29 9.130 8.391 0.739 1 1 337 . 12 1 1 A 49 49 TYR HA H 29 5.200 4.027 1.173 1 1 344 . 12 1 1 A 49 49 TYR C C 29 174.540 179.964 -5.424 1 1 345 . 12 1 1 A 49 49 TYR CA C 29 56.640 55.942 0.698 1 1 346 . 12 1 1 A 49 49 TYR CB C 29 43.420 18.263 25.157 1 1 349 . 12 1 1 A 49 49 TYR N N 29 124.890 123.434 1.456 1 1 350 . 12 1 1 A 50 50 ASP H H 30 9.000 8.226 0.774 1 1 351 . 12 1 1 A 50 50 ASP HA H 30 5.330 4.448 0.882 1 1 354 . 12 1 1 A 50 50 ASP C C 30 176.020 178.761 -2.741 1 1 355 . 12 1 1 A 50 50 ASP CA C 30 53.180 57.550 -4.370 1 1 356 . 12 1 1 A 50 50 ASP CB C 30 40.910 40.059 0.851 1 1 357 . 12 1 1 A 50 50 ASP N N 30 119.790 118.861 0.929 1 1 358 . 12 1 1 A 51 51 ILE H H 31 8.700 8.055 0.645 1 1 359 . 12 1 1 A 51 51 ILE HA H 31 3.710 4.338 -0.628 1 1 369 . 12 1 1 A 51 51 ILE C C 31 178.070 178.756 -0.686 1 1 370 . 12 1 1 A 51 51 ILE CA C 31 60.750 58.114 2.636 1 1 371 . 12 1 1 A 51 51 ILE CB C 31 35.230 41.666 -6.436 1 1 375 . 12 1 1 A 51 51 ILE N N 31 125.270 121.223 4.047 1 1 376 . 12 1 1 A 52 52 LYS H H 32 8.030 8.132 -0.102 1 1 377 . 12 1 1 A 52 52 LYS HA H 32 4.340 4.000 0.340 1 1 386 . 12 1 1 A 52 52 LYS C C 32 179.540 179.231 0.309 1 1 387 . 12 1 1 A 52 52 LYS CA C 32 59.380 59.730 -0.350 1 1 388 . 12 1 1 A 52 52 LYS CB C 32 31.930 29.499 2.431 1 1 392 . 12 1 1 A 52 52 LYS N N 32 120.520 119.025 1.495 1 1 393 . 12 1 1 A 53 53 ASP H H 33 7.810 8.332 -0.522 1 1 394 . 12 1 1 A 53 53 ASP HA H 33 4.620 4.427 0.193 1 1 397 . 12 1 1 A 53 53 ASP C C 33 177.670 177.805 -0.135 1 1 398 . 12 1 1 A 53 53 ASP CA C 33 56.840 55.914 0.926 1 1 399 . 12 1 1 A 53 53 ASP CB C 33 41.220 37.484 3.736 1 1 400 . 12 1 1 A 53 53 ASP N N 33 120.590 117.660 2.930 1 1 401 . 12 1 1 A 54 54 PHE H H 34 7.660 7.888 -0.228 1 1 402 . 12 1 1 A 54 54 PHE HA H 34 3.100 4.018 -0.918 1 1 410 . 12 1 1 A 54 54 PHE C C 34 176.960 176.900 0.060 1 1 411 . 12 1 1 A 54 54 PHE CA C 34 60.670 59.415 1.255 1 1 412 . 12 1 1 A 54 54 PHE CB C 34 38.870 29.139 9.731 1 1 416 . 12 1 1 A 54 54 PHE N N 34 120.480 119.621 0.859 1 1 417 . 12 1 1 A 55 55 GLN H H 35 8.860 8.078 0.782 1 1 418 . 12 1 1 A 55 55 GLN HA H 35 3.660 4.457 -0.797 1 1 425 . 12 1 1 A 55 55 GLN C C 35 178.510 177.298 1.212 1 1 426 . 12 1 1 A 55 55 GLN CA C 35 58.980 56.629 2.351 1 1 427 . 12 1 1 A 55 55 GLN CB C 35 29.450 38.664 -9.214 1 1 429 . 12 1 1 A 55 55 GLN N N 35 119.060 116.659 2.401 1 1 431 . 12 1 1 A 56 56 THR H H 36 8.150 8.106 0.044 1 1 432 . 12 1 1 A 56 56 THR HA H 36 3.930 4.412 -0.482 1 1 437 . 12 1 1 A 56 56 THR C C 36 176.550 177.091 -0.541 1 1 438 . 12 1 1 A 56 56 THR CA C 36 66.070 55.986 10.084 1 1 439 . 12 1 1 A 56 56 THR CB C 36 69.030 38.361 30.669 1 1 441 . 12 1 1 A 56 56 THR N N 36 115.130 117.735 -2.605 1 1 442 . 12 1 1 A 57 57 GLN H H 37 8.230 7.587 0.643 1 1 443 . 12 1 1 A 57 57 GLN HA H 37 4.210 4.511 -0.301 1 1 450 . 12 1 1 A 57 57 GLN CA C 37 58.050 54.416 3.634 1 1 451 . 12 1 1 A 57 57 GLN CB C 37 28.290 40.986 -12.696 1 1 453 . 12 1 1 A 57 57 GLN N N 37 119.670 116.963 2.707 1 1 458 . 12 1 1 A 58 58 SER C C 38 174.020 174.951 -0.931 1 1 459 . 12 1 1 A 58 58 SER CA C 38 60.500 45.219 15.281 1 1 461 . 12 1 1 A 59 59 LEU H H 39 7.320 7.498 -0.178 1 1 465 . 12 1 1 A 59 59 LEU CA C 39 55.140 46.531 8.609 1 1 467 . 12 1 1 A 59 59 LEU N N 39 120.250 107.748 12.502 1 1 468 . 12 1 1 A 60 60 THR H H 40 7.510 8.729 -1.219 1 1 469 . 12 1 1 A 60 60 THR HA H 40 4.250 4.878 -0.628 1 1 474 . 12 1 1 A 60 60 THR C C 40 174.900 174.428 0.472 1 1 475 . 12 1 1 A 60 60 THR CA C 40 62.320 56.781 5.539 1 1 476 . 12 1 1 A 60 60 THR CB C 40 70.110 39.041 31.069 1 1 478 . 12 1 1 A 60 60 THR N N 40 112.820 126.227 -13.407 1 1 479 . 12 1 1 A 61 61 GLU H H 41 8.510 8.985 -0.475 1 1 480 . 12 1 1 A 61 61 GLU HA H 41 4.100 5.479 -1.379 1 1 485 . 12 1 1 A 61 61 GLU C C 41 176.720 175.350 1.370 1 1 486 . 12 1 1 A 61 61 GLU CA C 41 57.840 56.503 1.337 1 1 487 . 12 1 1 A 61 61 GLU CB C 41 29.840 32.209 -2.369 1 1 489 . 12 1 1 A 61 61 GLU N N 41 123.410 127.550 -4.140 1 1 490 . 12 1 1 A 62 62 ASN H H 42 8.600 8.785 -0.185 1 1 491 . 12 1 1 A 62 62 ASN HA H 42 4.580 4.939 -0.359 1 1 496 . 12 1 1 A 62 62 ASN C C 42 174.940 172.596 2.344 1 1 497 . 12 1 1 A 62 62 ASN CA C 42 53.760 60.157 -6.397 1 1 498 . 12 1 1 A 62 62 ASN CB C 42 38.130 71.878 -33.748 1 1 499 . 12 1 1 A 62 62 ASN N N 42 117.760 114.775 2.985 1 1 501 . 12 1 1 A 63 63 SER H H 43 7.800 8.698 -0.898 1 1 502 . 12 1 1 A 63 63 SER HA H 43 4.400 4.783 -0.383 1 1 505 . 12 1 1 A 63 63 SER C C 43 177.320 175.453 1.867 1 1 506 . 12 1 1 A 63 63 SER CA C 43 58.730 61.727 -2.997 1 1 507 . 12 1 1 A 63 63 SER CB C 43 64.210 32.083 32.127 1 1 508 . 12 1 1 A 63 63 SER N N 43 114.610 127.133 -12.523 1 1 509 . 12 1 1 A 64 64 ILE H H 44 8.710 8.564 0.146 1 1 510 . 12 1 1 A 64 64 ILE HA H 44 4.180 4.535 -0.355 1 1 520 . 12 1 1 A 64 64 ILE C C 44 176.550 175.918 0.632 1 1 521 . 12 1 1 A 64 64 ILE CA C 44 63.280 59.974 3.306 1 1 522 . 12 1 1 A 64 64 ILE CB C 44 38.110 40.596 -2.486 1 1 526 . 12 1 1 A 64 64 ILE N N 44 125.240 127.304 -2.064 1 1 527 . 12 1 1 A 65 65 LEU H H 45 8.160 9.493 -1.333 1 1 528 . 12 1 1 A 65 65 LEU HA H 45 4.450 4.322 0.128 1 1 538 . 12 1 1 A 65 65 LEU C C 45 177.800 175.574 2.226 1 1 539 . 12 1 1 A 65 65 LEU CA C 45 54.820 55.156 -0.336 1 1 540 . 12 1 1 A 65 65 LEU CB C 45 41.790 39.831 1.959 1 1 544 . 12 1 1 A 65 65 LEU N N 45 118.980 127.911 -8.931 1 1 545 . 12 1 1 A 66 66 ALA H H 46 7.700 8.749 -1.049 1 1 550 . 12 1 1 A 66 66 ALA C C 46 179.870 173.837 6.033 1 1 551 . 12 1 1 A 66 66 ALA CA C 46 54.980 45.744 9.236 1 1 553 . 12 1 1 A 66 66 ALA N N 46 122.830 104.093 18.737 1 1 554 . 12 1 1 A 67 67 GLN H H 47 7.920 7.846 0.074 1 1 555 . 12 1 1 A 67 67 GLN HA H 47 4.110 4.760 -0.650 1 1 562 . 12 1 1 A 67 67 GLN C C 47 175.990 175.230 0.760 1 1 563 . 12 1 1 A 67 67 GLN CA C 47 57.170 54.143 3.027 1 1 564 . 12 1 1 A 67 67 GLN CB C 47 28.180 35.571 -7.391 1 1 566 . 12 1 1 A 67 67 GLN N N 47 115.030 119.693 -4.663 1 1 568 . 12 1 1 A 68 68 PHE H H 48 7.790 8.117 -0.327 1 1 569 . 12 1 1 A 68 68 PHE HA H 48 4.690 4.868 -0.178 1 1 576 . 12 1 1 A 68 68 PHE C C 48 175.620 174.423 1.197 1 1 577 . 12 1 1 A 68 68 PHE CA C 48 57.220 61.066 -3.846 1 1 578 . 12 1 1 A 68 68 PHE CB C 48 39.320 33.847 5.473 1 1 581 . 12 1 1 A 68 68 PHE N N 48 118.560 120.445 -1.885 1 1 582 . 12 1 1 A 69 69 ALA H H 49 7.600 9.103 -1.503 1 1 583 . 12 1 1 A 69 69 ALA HA H 49 4.120 5.446 -1.326 1 1 587 . 12 1 1 A 69 69 ALA C C 49 178.250 175.288 2.962 1 1 588 . 12 1 1 A 69 69 ALA CA C 49 53.920 56.400 -2.480 1 1 589 . 12 1 1 A 69 69 ALA CB C 49 18.660 41.586 -22.926 1 1 590 . 12 1 1 A 69 69 ALA N N 49 123.340 126.209 -2.869 1 1 591 . 12 1 1 A 70 70 GLY H H 50 8.500 8.396 0.104 1 1 594 . 12 1 1 A 70 70 GLY C C 50 174.070 176.099 -2.029 1 1 595 . 12 1 1 A 70 70 GLY CA C 50 45.390 53.144 -7.754 1 1 596 . 12 1 1 A 70 70 GLY N N 50 108.770 121.099 -12.329 1 1 597 . 12 1 1 A 71 71 GLU H H 51 7.800 8.721 -0.921 1 1 598 . 12 1 1 A 71 71 GLU HA H 51 4.430 4.352 0.078 1 1 603 . 12 1 1 A 71 71 GLU C C 51 176.220 177.529 -1.309 1 1 604 . 12 1 1 A 71 71 GLU CA C 51 55.430 61.794 -6.364 1 1 605 . 12 1 1 A 71 71 GLU CB C 51 30.980 39.754 -8.774 1 1 607 . 12 1 1 A 71 71 GLU N N 51 119.390 118.887 0.503 1 1 608 . 12 1 1 A 72 72 ASP H H 52 8.830 8.411 0.419 1 1 609 . 12 1 1 A 72 72 ASP HA H 52 4.850 4.132 0.718 1 1 612 . 12 1 1 A 72 72 ASP CA C 52 52.110 59.273 -7.163 1 1 613 . 12 1 1 A 72 72 ASP CB C 52 42.070 32.288 9.782 1 1 614 . 12 1 1 A 72 72 ASP N N 52 123.830 121.920 1.910 1 1 615 . 12 1 1 A 73 73 PRO HA H 53 4.410 4.504 -0.094 1 1 622 . 12 1 1 A 73 73 PRO C C 53 177.290 178.711 -1.421 1 1 623 . 12 1 1 A 73 73 PRO CA C 53 64.940 57.160 7.780 1 1 624 . 12 1 1 A 73 73 PRO CB C 53 32.130 40.479 -8.349 1 1 627 . 12 1 1 A 74 74 VAL H H 54 7.950 8.367 -0.417 1 1 628 . 12 1 1 A 74 74 VAL HA H 54 3.360 4.319 -0.959 1 1 636 . 12 1 1 A 74 74 VAL C C 54 177.540 177.950 -0.410 1 1 637 . 12 1 1 A 74 74 VAL CA C 54 66.820 62.018 4.802 1 1 638 . 12 1 1 A 74 74 VAL CB C 54 31.310 39.139 -7.829 1 1 641 . 12 1 1 A 74 74 VAL N N 54 118.670 120.540 -1.870 1 1 642 . 12 1 1 A 75 75 VAL H H 55 7.090 8.512 -1.422 1 1 643 . 12 1 1 A 75 75 VAL HA H 55 3.620 4.260 -0.640 1 1 651 . 12 1 1 A 75 75 VAL C C 55 175.050 177.867 -2.817 1 1 652 . 12 1 1 A 75 75 VAL CA C 55 65.440 58.592 6.848 1 1 653 . 12 1 1 A 75 75 VAL CB C 55 32.210 27.718 4.492 1 1 656 . 12 1 1 A 75 75 VAL N N 55 120.340 117.807 2.533 1 1 657 . 12 1 1 A 76 76 ALA H H 56 8.050 8.005 0.045 1 1 658 . 12 1 1 A 76 76 ALA HA H 56 3.870 4.040 -0.170 1 1 662 . 12 1 1 A 76 76 ALA C C 56 178.160 177.191 0.969 1 1 663 . 12 1 1 A 76 76 ALA CA C 56 54.840 66.629 -11.789 1 1 664 . 12 1 1 A 76 76 ALA CB C 56 19.250 68.467 -49.217 1 1 665 . 12 1 1 A 76 76 ALA N N 56 121.910 118.950 2.960 1 1 666 . 12 1 1 A 77 77 LEU H H 57 7.720 7.816 -0.096 1 1 667 . 12 1 1 A 77 77 LEU HA H 57 3.170 4.163 -0.993 1 1 677 . 12 1 1 A 77 77 LEU C C 57 178.010 178.930 -0.920 1 1 678 . 12 1 1 A 77 77 LEU CA C 57 58.260 58.319 -0.059 1 1 679 . 12 1 1 A 77 77 LEU CB C 57 39.970 28.260 11.710 1 1 683 . 12 1 1 A 77 77 LEU N N 57 120.030 120.485 -0.455 1 1 684 . 12 1 1 A 78 78 GLU H H 58 7.840 7.986 -0.146 1 1 685 . 12 1 1 A 78 78 GLU HA H 58 3.510 4.332 -0.822 1 1 690 . 12 1 1 A 78 78 GLU C C 58 179.140 175.214 3.926 1 1 691 . 12 1 1 A 78 78 GLU CA C 58 60.290 60.986 -0.696 1 1 692 . 12 1 1 A 78 78 GLU CB C 58 29.420 62.943 -33.523 1 1 694 . 12 1 1 A 78 78 GLU N N 58 116.990 116.118 0.872 1 1 695 . 12 1 1 A 79 79 ALA H H 59 7.710 7.664 0.046 1 1 696 . 12 1 1 A 79 79 ALA HA H 59 3.940 4.300 -0.360 1 1 700 . 12 1 1 A 79 79 ALA C C 59 180.360 177.146 3.214 1 1 701 . 12 1 1 A 79 79 ALA CA C 59 54.790 55.738 -0.948 1 1 702 . 12 1 1 A 79 79 ALA CB C 59 17.930 42.151 -24.221 1 1 703 . 12 1 1 A 79 79 ALA N N 59 120.690 119.664 1.026 1 1 704 . 12 1 1 A 80 80 ALA H H 60 8.220 7.396 0.824 1 1 705 . 12 1 1 A 80 80 ALA HA H 60 3.970 4.374 -0.404 1 1 709 . 12 1 1 A 80 80 ALA C C 60 180.570 175.857 4.713 1 1 710 . 12 1 1 A 80 80 ALA CA C 60 54.160 63.690 -9.530 1 1 711 . 12 1 1 A 80 80 ALA CB C 60 18.830 68.993 -50.163 1 1 712 . 12 1 1 A 80 80 ALA N N 60 122.230 114.185 8.045 1 1 713 . 12 1 1 A 81 81 LEU H H 61 7.800 8.908 -1.108 1 1 714 . 12 1 1 A 81 81 LEU HA H 61 3.890 4.105 -0.215 1 1 724 . 12 1 1 A 81 81 LEU C C 61 177.590 176.032 1.558 1 1 725 . 12 1 1 A 81 81 LEU CA C 61 56.650 58.589 -1.939 1 1 726 . 12 1 1 A 81 81 LEU CB C 61 42.630 29.175 13.455 1 1 730 . 12 1 1 A 81 81 LEU N N 61 116.150 124.854 -8.704 1 1 731 . 12 1 1 A 82 82 GLN H H 62 7.450 7.676 -0.226 1 1 732 . 12 1 1 A 82 82 GLN HA H 62 4.250 4.887 -0.637 1 1 739 . 12 1 1 A 82 82 GLN C C 62 176.120 173.242 2.878 1 1 740 . 12 1 1 A 82 82 GLN CA C 62 55.880 51.849 4.031 1 1 741 . 12 1 1 A 82 82 GLN CB C 62 29.330 38.175 -8.845 1 1 743 . 12 1 1 A 82 82 GLN N N 62 115.740 119.275 -3.535 1 1 745 . 12 1 1 A 83 83 PHE H H 63 7.300 8.136 -0.836 1 1 746 . 12 1 1 A 83 83 PHE HA H 63 4.900 4.961 -0.061 1 1 753 . 12 1 1 A 83 83 PHE C C 63 176.470 174.622 1.848 1 1 754 . 12 1 1 A 83 83 PHE CA C 63 56.260 57.489 -1.229 1 1 755 . 12 1 1 A 83 83 PHE CB C 63 39.000 67.381 -28.381 1 1 758 . 12 1 1 A 83 83 PHE N N 63 120.420 118.866 1.554 1 1 759 . 12 1 1 A 84 84 GLU H H 64 9.090 8.575 0.515 1 1 760 . 12 1 1 A 84 84 GLU HA H 64 3.850 3.813 0.037 1 1 765 . 12 1 1 A 84 84 GLU C C 64 178.010 176.400 1.610 1 1 766 . 12 1 1 A 84 84 GLU CA C 64 59.910 64.106 -4.196 1 1 767 . 12 1 1 A 84 84 GLU CB C 64 29.640 37.719 -8.079 1 1 769 . 12 1 1 A 84 84 GLU N N 64 126.260 123.325 2.935 1 1 770 . 12 1 1 A 85 85 ASP H H 65 7.670 7.737 -0.067 1 1 771 . 12 1 1 A 85 85 ASP HA H 65 4.480 4.641 -0.161 1 1 774 . 12 1 1 A 85 85 ASP C C 65 177.530 177.975 -0.445 1 1 775 . 12 1 1 A 85 85 ASP CA C 65 56.290 54.761 1.529 1 1 776 . 12 1 1 A 85 85 ASP CB C 65 40.480 41.822 -1.342 1 1 777 . 12 1 1 A 85 85 ASP N N 65 114.070 122.008 -7.938 1 1 778 . 12 1 1 A 86 86 THR H H 66 7.560 7.537 0.023 1 1 779 . 12 1 1 A 86 86 THR HA H 66 4.530 4.041 0.489 1 1 784 . 12 1 1 A 86 86 THR C C 66 176.820 180.162 -3.342 1 1 785 . 12 1 1 A 86 86 THR CA C 66 62.380 55.033 7.347 1 1 786 . 12 1 1 A 86 86 THR CB C 66 70.200 18.040 52.160 1 1 788 . 12 1 1 A 86 86 THR N N 66 106.640 122.779 -16.139 1 1 789 . 12 1 1 A 87 87 ARG H H 67 8.100 8.294 -0.194 1 1 790 . 12 1 1 A 87 87 ARG HA H 67 4.020 4.074 -0.054 1 1 797 . 12 1 1 A 87 87 ARG C C 67 178.760 176.457 2.303 1 1 798 . 12 1 1 A 87 87 ARG CA C 67 61.140 57.653 3.487 1 1 799 . 12 1 1 A 87 87 ARG CB C 67 30.220 27.191 3.029 1 1 802 . 12 1 1 A 87 87 ARG N N 67 124.220 115.743 8.477 1 1 803 . 12 1 1 A 88 88 GLU H H 68 8.790 7.796 0.994 1 1 804 . 12 1 1 A 88 88 GLU HA H 68 4.090 4.606 -0.516 1 1 809 . 12 1 1 A 88 88 GLU C C 68 179.320 175.706 3.614 1 1 810 . 12 1 1 A 88 88 GLU CA C 68 59.150 57.615 1.535 1 1 811 . 12 1 1 A 88 88 GLU CB C 68 28.930 38.929 -9.999 1 1 813 . 12 1 1 A 88 88 GLU N N 68 118.790 117.525 1.265 1 1 814 . 12 1 1 A 89 89 SER H H 69 8.140 7.685 0.455 1 1 815 . 12 1 1 A 89 89 SER HA H 69 4.390 4.354 0.036 1 1 818 . 12 1 1 A 89 89 SER C C 69 176.100 177.815 -1.715 1 1 819 . 12 1 1 A 89 89 SER CA C 69 61.000 51.828 9.172 1 1 820 . 12 1 1 A 89 89 SER CB C 69 63.190 17.685 45.505 1 1 821 . 12 1 1 A 89 89 SER N N 69 115.570 123.249 -7.679 1 1 822 . 12 1 1 A 90 90 MET H H 70 7.690 8.139 -0.449 1 1 831 . 12 1 1 A 90 90 MET C C 70 177.990 174.597 3.393 1 1 832 . 12 1 1 A 90 90 MET CA C 70 55.140 45.472 9.668 1 1 836 . 12 1 1 A 90 90 MET N N 70 118.160 109.774 8.386 1 1 837 . 12 1 1 A 91 91 HIS H H 71 7.740 7.917 -0.177 1 1 838 . 12 1 1 A 91 91 HIS HA H 71 4.430 4.522 -0.092 1 1 842 . 12 1 1 A 91 91 HIS C C 71 177.460 175.960 1.500 1 1 843 . 12 1 1 A 91 91 HIS CA C 71 58.830 55.730 3.100 1 1 844 . 12 1 1 A 91 91 HIS CB C 71 29.680 31.143 -1.463 1 1 846 . 12 1 1 A 91 91 HIS N N 71 118.990 121.741 -2.751 1 1 847 . 12 1 1 A 92 92 ALA H H 72 7.230 8.411 -1.181 1 1 848 . 12 1 1 A 92 92 ALA HA H 72 3.900 4.692 -0.792 1 1 852 . 12 1 1 A 92 92 ALA C C 72 177.850 176.683 1.167 1 1 853 . 12 1 1 A 92 92 ALA CA C 72 53.840 52.108 1.732 1 1 854 . 12 1 1 A 92 92 ALA CB C 72 18.250 41.880 -23.630 1 1 855 . 12 1 1 A 92 92 ALA N N 72 120.170 125.835 -5.665 1 1 857 . 12 1 1 A 93 93 PHE HA H 73 4.970 4.424 0.546 1 1 865 . 12 1 1 A 93 93 PHE C C 73 174.000 178.748 -4.748 1 1 866 . 12 1 1 A 93 93 PHE CA C 73 56.420 65.335 -8.915 1 1 867 . 12 1 1 A 93 93 PHE CB C 73 39.050 31.712 7.338 1 1 871 . 12 1 1 A 93 93 PHE N N 73 113.910 142.126 -28.216 1 1 872 . 12 1 1 A 94 94 CYS H H 74 7.690 6.759 0.931 1 1 873 . 12 1 1 A 94 94 CYS HA H 74 4.120 3.594 0.526 1 1 876 . 12 1 1 A 94 94 CYS C C 74 174.900 177.737 -2.837 1 1 877 . 12 1 1 A 94 94 CYS CA C 74 58.200 64.805 -6.605 1 1 878 . 12 1 1 A 94 94 CYS CB C 74 27.320 31.125 -3.805 1 1 879 . 12 1 1 A 94 94 CYS N N 74 121.190 116.326 4.864 1 1 880 . 12 1 1 A 95 95 VAL H H 75 8.770 8.168 0.602 1 1 881 . 12 1 1 A 95 95 VAL HA H 75 3.820 3.486 0.334 1 1 889 . 12 1 1 A 95 95 VAL C C 75 175.640 178.394 -2.754 1 1 890 . 12 1 1 A 95 95 VAL CA C 75 62.250 65.963 -3.713 1 1 891 . 12 1 1 A 95 95 VAL CB C 75 32.280 31.390 0.890 1 1 894 . 12 1 1 A 95 95 VAL N N 75 128.310 120.916 7.394 1 1 895 . 12 1 1 A 96 96 GLY H H 76 7.130 7.901 -0.771 1 1 898 . 12 1 1 A 96 96 GLY C C 76 171.220 179.638 -8.418 1 1 899 . 12 1 1 A 96 96 GLY CA C 76 44.940 54.554 -9.614 1 1 900 . 12 1 1 A 96 96 GLY N N 76 105.330 121.503 -16.173 1 1 901 . 12 1 1 A 97 97 GLN H H 77 8.590 7.732 0.858 1 1 902 . 12 1 1 A 97 97 GLN HA H 77 4.460 3.884 0.576 1 1 909 . 12 1 1 A 97 97 GLN C C 77 174.070 178.526 -4.456 1 1 910 . 12 1 1 A 97 97 GLN CA C 77 54.860 57.485 -2.625 1 1 911 . 12 1 1 A 97 97 GLN CB C 77 30.820 41.438 -10.618 1 1 913 . 12 1 1 A 97 97 GLN N N 77 120.500 120.599 -0.099 1 1 915 . 12 1 1 A 98 98 TYR H H 78 8.440 7.547 0.893 1 1 916 . 12 1 1 A 98 98 TYR HA H 78 4.960 3.938 1.022 1 1 923 . 12 1 1 A 98 98 TYR C C 78 174.460 179.181 -4.721 1 1 924 . 12 1 1 A 98 98 TYR CA C 78 56.660 59.192 -2.532 1 1 925 . 12 1 1 A 98 98 TYR CB C 78 40.450 29.263 11.187 1 1 928 . 12 1 1 A 98 98 TYR N N 78 125.460 117.964 7.496 1 1 929 . 12 1 1 A 99 99 LEU H H 79 8.100 7.935 0.165 1 1 930 . 12 1 1 A 99 99 LEU HA H 79 4.360 4.095 0.265 1 1 940 . 12 1 1 A 99 99 LEU C C 79 173.790 180.178 -6.388 1 1 941 . 12 1 1 A 99 99 LEU CA C 79 53.110 54.748 -1.638 1 1 942 . 12 1 1 A 99 99 LEU CB C 79 43.200 18.029 25.171 1 1 946 . 12 1 1 A 99 99 LEU N N 79 131.670 123.272 8.398 1 1 947 . 12 1 1 A 100 100 GLU H H 80 8.160 7.531 0.629 1 1 948 . 12 1 1 A 100 100 GLU HA H 80 4.140 4.628 -0.488 1 1 953 . 12 1 1 A 100 100 GLU CA C 80 54.540 55.132 -0.592 1 1 954 . 12 1 1 A 100 100 GLU CB C 80 29.270 18.264 11.006 1 1 956 . 12 1 1 A 100 100 GLU N N 80 125.120 120.649 4.471 1 1 957 . 12 1 1 A 101 101 PRO HA H 81 4.380 4.008 0.372 1 1 964 . 12 1 1 A 101 101 PRO C C 81 177.370 179.731 -2.361 1 1 965 . 12 1 1 A 101 101 PRO CA C 81 64.050 57.734 6.316 1 1 966 . 12 1 1 A 101 101 PRO CB C 81 32.130 41.172 -9.042 1 1 969 . 12 1 1 A 102 102 ASP H H 82 8.430 7.865 0.565 1 1 970 . 12 1 1 A 102 102 ASP HA H 82 4.550 4.240 0.310 1 1 973 . 12 1 1 A 102 102 ASP C C 82 176.950 176.827 0.123 1 1 974 . 12 1 1 A 102 102 ASP CA C 82 54.680 59.007 -4.327 1 1 975 . 12 1 1 A 102 102 ASP CB C 82 40.630 28.984 11.646 1 1 976 . 12 1 1 A 102 102 ASP N N 82 118.470 116.972 1.498 1 1 977 . 12 1 1 A 103 103 GLN H H 83 8.230 7.713 0.517 1 1 978 . 12 1 1 A 103 103 GLN HA H 83 4.340 4.833 -0.493 1 1 985 . 12 1 1 A 103 103 GLN C C 83 176.210 176.364 -0.154 1 1 986 . 12 1 1 A 103 103 GLN CA C 83 55.640 56.780 -1.140 1 1 987 . 12 1 1 A 103 103 GLN CB C 83 29.630 39.267 -9.637 1 1 989 . 12 1 1 A 103 103 GLN N N 83 119.650 119.955 -0.305 1 1 991 . 12 1 1 A 104 104 GLU H H 84 8.250 8.973 -0.723 1 1 992 . 12 1 1 A 104 104 GLU HA H 84 4.220 4.055 0.165 1 1 997 . 12 1 1 A 104 104 GLU C C 84 177.100 178.113 -1.013 1 1 998 . 12 1 1 A 104 104 GLU CA C 84 57.220 59.132 -1.912 1 1 999 . 12 1 1 A 104 104 GLU CB C 84 30.320 28.980 1.340 1 1 1001 . 12 1 1 A 104 104 GLU N N 84 121.670 126.702 -5.032 1 1 1002 . 12 1 1 A 105 105 GLY H H 85 8.450 7.529 0.921 1 1 1005 . 12 1 1 A 105 105 GLY C C 85 174.000 177.900 -3.900 1 1 1006 . 12 1 1 A 105 105 GLY CA C 85 45.410 57.248 -11.838 1 1 1007 . 12 1 1 A 105 105 GLY N N 85 109.870 120.356 -10.486 1 1 1008 . 12 1 1 A 106 106 VAL H H 86 7.900 7.507 0.393 1 1 1009 . 12 1 1 A 106 106 VAL HA H 86 4.190 4.226 -0.036 1 1 1017 . 12 1 1 A 106 106 VAL C C 86 176.300 175.893 0.407 1 1 1018 . 12 1 1 A 106 106 VAL CA C 86 62.190 64.456 -2.266 1 1 1019 . 12 1 1 A 106 106 VAL CB C 86 32.860 68.868 -36.008 1 1 1022 . 12 1 1 A 106 106 VAL N N 86 119.330 113.409 5.921 1 1 1023 . 12 1 1 A 107 107 THR H H 87 8.320 8.304 0.016 1 1 1024 . 12 1 1 A 107 107 THR HA H 87 4.350 4.219 0.131 1 1 1029 . 12 1 1 A 107 107 THR C C 87 174.050 178.181 -4.131 1 1 1030 . 12 1 1 A 107 107 THR CA C 87 61.870 57.856 4.014 1 1 1031 . 12 1 1 A 107 107 THR CB C 87 69.910 29.277 40.633 1 1 1033 . 12 1 1 A 107 107 THR N N 87 119.480 122.683 -3.203 1 1 1034 . 12 1 1 A 108 108 ILE H H 88 8.360 8.376 -0.016 1 1 1035 . 12 1 1 A 108 108 ILE HA H 88 4.470 4.074 0.396 1 1 1045 . 12 1 1 A 108 108 ILE CA C 88 58.410 59.583 -1.173 1 1 1046 . 12 1 1 A 108 108 ILE CB C 88 38.530 29.748 8.782 1 1 1050 . 12 1 1 A 108 108 ILE N N 88 126.140 119.370 6.770 1 1 1051 . 12 1 1 A 109 109 PRO HA H 89 4.380 4.468 -0.088 1 1 1058 . 12 1 1 A 109 109 PRO C C 89 176.290 176.632 -0.342 1 1 1059 . 12 1 1 A 109 109 PRO CA C 89 63.210 61.271 1.939 1 1 1060 . 12 1 1 A 109 109 PRO CB C 89 32.220 63.275 -31.055 1 1 1063 . 12 1 1 A 110 110 ASP H H 90 8.370 8.420 -0.050 1 1 1064 . 12 1 1 A 110 110 ASP HA H 90 4.580 4.822 -0.242 1 1 1067 . 12 1 1 A 110 110 ASP C C 90 176.200 178.318 -2.118 1 1 1068 . 12 1 1 A 110 110 ASP CA C 90 54.290 57.869 -3.579 1 1 1069 . 12 1 1 A 110 110 ASP CB C 90 41.120 31.724 9.396 1 1 1070 . 12 1 1 A 110 110 ASP N N 90 120.470 119.612 0.858 1 1 1071 . 12 1 1 A 111 111 LEU H H 91 8.250 8.192 0.058 1 1 1072 . 12 1 1 A 111 111 LEU HA H 91 4.370 4.526 -0.156 1 1 1081 . 12 1 1 A 111 111 LEU C C 91 177.040 177.321 -0.281 1 1 1082 . 12 1 1 A 111 111 LEU CA C 91 55.060 59.007 -3.947 1 1 1083 . 12 1 1 A 111 111 LEU CB C 91 42.290 28.690 13.600 1 1 1086 . 12 1 1 A 111 111 LEU N N 91 123.570 117.369 6.201 1 1 1087 . 12 1 1 A 112 112 GLY H H 92 8.080 7.654 0.426 1 1 1090 . 12 1 1 A 112 112 GLY CA C 92 46.190 54.375 -8.185 1 1 246 . 13 1 1 A 42 42 THR H H 22 8.820 8.898 -0.078 1 1 247 . 13 1 1 A 42 42 THR HA H 22 4.800 4.657 0.143 1 1 252 . 13 1 1 A 42 42 THR C C 22 170.950 175.718 -4.768 1 1 253 . 13 1 1 A 42 42 THR CA C 22 60.870 56.410 4.460 1 1 254 . 13 1 1 A 42 42 THR CB C 22 71.510 32.858 38.652 1 1 256 . 13 1 1 A 42 42 THR N N 22 116.000 125.543 -9.543 1 1 257 . 13 1 1 A 43 43 VAL H H 23 8.140 8.649 -0.509 1 1 258 . 13 1 1 A 43 43 VAL HA H 23 4.830 4.476 0.354 1 1 266 . 13 1 1 A 43 43 VAL C C 23 176.470 174.999 1.471 1 1 267 . 13 1 1 A 43 43 VAL CA C 23 61.540 60.547 0.993 1 1 268 . 13 1 1 A 43 43 VAL CB C 23 32.270 33.231 -0.961 1 1 271 . 13 1 1 A 43 43 VAL N N 23 125.850 120.719 5.131 1 1 272 . 13 1 1 A 44 44 ILE H H 24 9.350 8.774 0.576 1 1 273 . 13 1 1 A 44 44 ILE HA H 24 4.220 4.391 -0.171 1 1 283 . 13 1 1 A 44 44 ILE C C 24 176.050 174.516 1.534 1 1 284 . 13 1 1 A 44 44 ILE CA C 24 60.880 61.943 -1.063 1 1 285 . 13 1 1 A 44 44 ILE CB C 24 40.830 68.862 -28.032 1 1 289 . 13 1 1 A 44 44 ILE N N 24 128.460 121.607 6.853 1 1 290 . 13 1 1 A 45 45 ASP H H 25 9.450 8.751 0.699 1 1 291 . 13 1 1 A 45 45 ASP HA H 25 4.320 4.589 -0.269 1 1 294 . 13 1 1 A 45 45 ASP C C 25 176.060 176.178 -0.118 1 1 295 . 13 1 1 A 45 45 ASP CA C 25 55.170 54.480 0.690 1 1 296 . 13 1 1 A 45 45 ASP CB C 25 39.870 41.086 -1.216 1 1 297 . 13 1 1 A 45 45 ASP N N 25 129.730 127.541 2.189 1 1 298 . 13 1 1 A 46 46 GLY H H 26 8.360 8.851 -0.491 1 1 301 . 13 1 1 A 46 46 GLY C C 26 173.150 175.583 -2.433 1 1 302 . 13 1 1 A 46 46 GLY CA C 26 46.190 62.020 -15.830 1 1 303 . 13 1 1 A 46 46 GLY N N 26 102.380 125.350 -22.970 1 1 304 . 13 1 1 A 47 47 LYS H H 27 8.000 8.869 -0.869 1 1 305 . 13 1 1 A 47 47 LYS HA H 27 4.780 4.210 0.570 1 1 314 . 13 1 1 A 47 47 LYS C C 27 177.050 177.469 -0.419 1 1 315 . 13 1 1 A 47 47 LYS CA C 27 54.870 56.480 -1.610 1 1 316 . 13 1 1 A 47 47 LYS CB C 27 36.020 30.804 5.216 1 1 320 . 13 1 1 A 47 47 LYS N N 27 121.330 127.169 -5.839 1 1 321 . 13 1 1 A 48 48 VAL H H 28 8.160 8.601 -0.441 1 1 322 . 13 1 1 A 48 48 VAL HA H 28 4.450 4.156 0.294 1 1 330 . 13 1 1 A 48 48 VAL C C 28 174.640 177.745 -3.105 1 1 331 . 13 1 1 A 48 48 VAL CA C 28 60.800 64.462 -3.662 1 1 332 . 13 1 1 A 48 48 VAL CB C 28 32.310 37.518 -5.208 1 1 335 . 13 1 1 A 48 48 VAL N N 28 119.880 124.854 -4.974 1 1 336 . 13 1 1 A 49 49 TYR H H 29 9.130 8.369 0.761 1 1 337 . 13 1 1 A 49 49 TYR HA H 29 5.200 4.029 1.171 1 1 344 . 13 1 1 A 49 49 TYR C C 29 174.540 179.391 -4.851 1 1 345 . 13 1 1 A 49 49 TYR CA C 29 56.640 55.058 1.582 1 1 346 . 13 1 1 A 49 49 TYR CB C 29 43.420 18.161 25.259 1 1 349 . 13 1 1 A 49 49 TYR N N 29 124.890 123.209 1.681 1 1 350 . 13 1 1 A 50 50 ASP H H 30 9.000 7.790 1.210 1 1 351 . 13 1 1 A 50 50 ASP HA H 30 5.330 4.346 0.984 1 1 354 . 13 1 1 A 50 50 ASP C C 30 176.020 178.613 -2.593 1 1 355 . 13 1 1 A 50 50 ASP CA C 30 53.180 57.725 -4.545 1 1 356 . 13 1 1 A 50 50 ASP CB C 30 40.910 41.425 -0.515 1 1 357 . 13 1 1 A 50 50 ASP N N 30 119.790 118.464 1.326 1 1 358 . 13 1 1 A 51 51 ILE H H 31 8.700 7.939 0.761 1 1 359 . 13 1 1 A 51 51 ILE HA H 31 3.710 4.028 -0.318 1 1 369 . 13 1 1 A 51 51 ILE C C 31 178.070 179.247 -1.177 1 1 370 . 13 1 1 A 51 51 ILE CA C 31 60.750 58.162 2.588 1 1 371 . 13 1 1 A 51 51 ILE CB C 31 35.230 41.621 -6.391 1 1 375 . 13 1 1 A 51 51 ILE N N 31 125.270 119.877 5.393 1 1 376 . 13 1 1 A 52 52 LYS H H 32 8.030 7.959 0.071 1 1 377 . 13 1 1 A 52 52 LYS HA H 32 4.340 3.900 0.440 1 1 386 . 13 1 1 A 52 52 LYS C C 32 179.540 179.526 0.014 1 1 387 . 13 1 1 A 52 52 LYS CA C 32 59.380 59.877 -0.497 1 1 388 . 13 1 1 A 52 52 LYS CB C 32 31.930 29.273 2.657 1 1 392 . 13 1 1 A 52 52 LYS N N 32 120.520 117.622 2.898 1 1 393 . 13 1 1 A 53 53 ASP H H 33 7.810 7.841 -0.031 1 1 394 . 13 1 1 A 53 53 ASP HA H 33 4.620 4.457 0.163 1 1 397 . 13 1 1 A 53 53 ASP C C 33 177.670 177.633 0.037 1 1 398 . 13 1 1 A 53 53 ASP CA C 33 56.840 56.197 0.643 1 1 399 . 13 1 1 A 53 53 ASP CB C 33 41.220 38.223 2.997 1 1 400 . 13 1 1 A 53 53 ASP N N 33 120.590 117.547 3.043 1 1 401 . 13 1 1 A 54 54 PHE H H 34 7.660 8.033 -0.373 1 1 402 . 13 1 1 A 54 54 PHE HA H 34 3.100 4.077 -0.977 1 1 410 . 13 1 1 A 54 54 PHE C C 34 176.960 177.517 -0.557 1 1 411 . 13 1 1 A 54 54 PHE CA C 34 60.670 59.851 0.819 1 1 412 . 13 1 1 A 54 54 PHE CB C 34 38.870 29.175 9.695 1 1 416 . 13 1 1 A 54 54 PHE N N 34 120.480 120.415 0.065 1 1 417 . 13 1 1 A 55 55 GLN H H 35 8.860 8.343 0.517 1 1 418 . 13 1 1 A 55 55 GLN HA H 35 3.660 4.329 -0.669 1 1 425 . 13 1 1 A 55 55 GLN C C 35 178.510 178.152 0.358 1 1 426 . 13 1 1 A 55 55 GLN CA C 35 58.980 55.899 3.081 1 1 427 . 13 1 1 A 55 55 GLN CB C 35 29.450 37.107 -7.657 1 1 429 . 13 1 1 A 55 55 GLN N N 35 119.060 117.145 1.915 1 1 431 . 13 1 1 A 56 56 THR H H 36 8.150 8.384 -0.234 1 1 432 . 13 1 1 A 56 56 THR HA H 36 3.930 4.466 -0.536 1 1 437 . 13 1 1 A 56 56 THR C C 36 176.550 177.247 -0.697 1 1 438 . 13 1 1 A 56 56 THR CA C 36 66.070 56.337 9.733 1 1 439 . 13 1 1 A 56 56 THR CB C 36 69.030 38.825 30.205 1 1 441 . 13 1 1 A 56 56 THR N N 36 115.130 118.770 -3.640 1 1 442 . 13 1 1 A 57 57 GLN H H 37 8.230 7.449 0.781 1 1 443 . 13 1 1 A 57 57 GLN HA H 37 4.210 4.578 -0.368 1 1 450 . 13 1 1 A 57 57 GLN CA C 37 58.050 54.505 3.545 1 1 451 . 13 1 1 A 57 57 GLN CB C 37 28.290 41.197 -12.907 1 1 453 . 13 1 1 A 57 57 GLN N N 37 119.670 116.898 2.772 1 1 458 . 13 1 1 A 58 58 SER C C 38 174.020 175.254 -1.234 1 1 459 . 13 1 1 A 58 58 SER CA C 38 60.500 45.449 15.051 1 1 461 . 13 1 1 A 59 59 LEU H H 39 7.320 7.586 -0.266 1 1 465 . 13 1 1 A 59 59 LEU CA C 39 55.140 46.660 8.480 1 1 467 . 13 1 1 A 59 59 LEU N N 39 120.250 108.013 12.237 1 1 468 . 13 1 1 A 60 60 THR H H 40 7.510 8.790 -1.280 1 1 469 . 13 1 1 A 60 60 THR HA H 40 4.250 4.808 -0.558 1 1 474 . 13 1 1 A 60 60 THR C C 40 174.900 174.478 0.422 1 1 475 . 13 1 1 A 60 60 THR CA C 40 62.320 57.352 4.968 1 1 476 . 13 1 1 A 60 60 THR CB C 40 70.110 39.261 30.849 1 1 478 . 13 1 1 A 60 60 THR N N 40 112.820 126.305 -13.485 1 1 479 . 13 1 1 A 61 61 GLU H H 41 8.510 8.940 -0.430 1 1 480 . 13 1 1 A 61 61 GLU HA H 41 4.100 5.546 -1.446 1 1 485 . 13 1 1 A 61 61 GLU C C 41 176.720 175.440 1.280 1 1 486 . 13 1 1 A 61 61 GLU CA C 41 57.840 56.035 1.805 1 1 487 . 13 1 1 A 61 61 GLU CB C 41 29.840 31.982 -2.142 1 1 489 . 13 1 1 A 61 61 GLU N N 41 123.410 127.905 -4.495 1 1 490 . 13 1 1 A 62 62 ASN H H 42 8.600 8.461 0.139 1 1 491 . 13 1 1 A 62 62 ASN HA H 42 4.580 4.994 -0.414 1 1 496 . 13 1 1 A 62 62 ASN C C 42 174.940 171.931 3.009 1 1 497 . 13 1 1 A 62 62 ASN CA C 42 53.760 59.999 -6.239 1 1 498 . 13 1 1 A 62 62 ASN CB C 42 38.130 72.026 -33.896 1 1 499 . 13 1 1 A 62 62 ASN N N 42 117.760 115.199 2.561 1 1 501 . 13 1 1 A 63 63 SER H H 43 7.800 8.863 -1.063 1 1 502 . 13 1 1 A 63 63 SER HA H 43 4.400 4.713 -0.313 1 1 505 . 13 1 1 A 63 63 SER C C 43 177.320 174.259 3.061 1 1 506 . 13 1 1 A 63 63 SER CA C 43 58.730 61.207 -2.477 1 1 507 . 13 1 1 A 63 63 SER CB C 43 64.210 32.192 32.018 1 1 508 . 13 1 1 A 63 63 SER N N 43 114.610 127.042 -12.432 1 1 509 . 13 1 1 A 64 64 ILE H H 44 8.710 8.950 -0.240 1 1 510 . 13 1 1 A 64 64 ILE HA H 44 4.180 4.525 -0.345 1 1 520 . 13 1 1 A 64 64 ILE C C 44 176.550 175.986 0.564 1 1 521 . 13 1 1 A 64 64 ILE CA C 44 63.280 60.205 3.075 1 1 522 . 13 1 1 A 64 64 ILE CB C 44 38.110 40.518 -2.408 1 1 526 . 13 1 1 A 64 64 ILE N N 44 125.240 130.730 -5.490 1 1 527 . 13 1 1 A 65 65 LEU H H 45 8.160 9.509 -1.349 1 1 528 . 13 1 1 A 65 65 LEU HA H 45 4.450 4.310 0.140 1 1 538 . 13 1 1 A 65 65 LEU C C 45 177.800 175.478 2.322 1 1 539 . 13 1 1 A 65 65 LEU CA C 45 54.820 55.161 -0.341 1 1 540 . 13 1 1 A 65 65 LEU CB C 45 41.790 39.793 1.997 1 1 544 . 13 1 1 A 65 65 LEU N N 45 118.980 128.066 -9.086 1 1 545 . 13 1 1 A 66 66 ALA H H 46 7.700 8.717 -1.017 1 1 550 . 13 1 1 A 66 66 ALA C C 46 179.870 173.741 6.129 1 1 551 . 13 1 1 A 66 66 ALA CA C 46 54.980 45.344 9.636 1 1 553 . 13 1 1 A 66 66 ALA N N 46 122.830 103.593 19.237 1 1 554 . 13 1 1 A 67 67 GLN H H 47 7.920 7.850 0.070 1 1 555 . 13 1 1 A 67 67 GLN HA H 47 4.110 4.569 -0.459 1 1 562 . 13 1 1 A 67 67 GLN C C 47 175.990 175.387 0.603 1 1 563 . 13 1 1 A 67 67 GLN CA C 47 57.170 54.334 2.836 1 1 564 . 13 1 1 A 67 67 GLN CB C 47 28.180 34.396 -6.216 1 1 566 . 13 1 1 A 67 67 GLN N N 47 115.030 120.753 -5.723 1 1 568 . 13 1 1 A 68 68 PHE H H 48 7.790 8.613 -0.823 1 1 569 . 13 1 1 A 68 68 PHE HA H 48 4.690 4.494 0.196 1 1 576 . 13 1 1 A 68 68 PHE C C 48 175.620 174.592 1.028 1 1 577 . 13 1 1 A 68 68 PHE CA C 48 57.220 61.436 -4.216 1 1 578 . 13 1 1 A 68 68 PHE CB C 48 39.320 31.800 7.520 1 1 581 . 13 1 1 A 68 68 PHE N N 48 118.560 123.054 -4.494 1 1 582 . 13 1 1 A 69 69 ALA H H 49 7.600 9.031 -1.431 1 1 583 . 13 1 1 A 69 69 ALA HA H 49 4.120 5.215 -1.095 1 1 587 . 13 1 1 A 69 69 ALA C C 49 178.250 173.755 4.495 1 1 588 . 13 1 1 A 69 69 ALA CA C 49 53.920 56.822 -2.902 1 1 589 . 13 1 1 A 69 69 ALA CB C 49 18.660 42.327 -23.667 1 1 590 . 13 1 1 A 69 69 ALA N N 49 123.340 127.547 -4.207 1 1 591 . 13 1 1 A 70 70 GLY H H 50 8.500 8.582 -0.082 1 1 594 . 13 1 1 A 70 70 GLY C C 50 174.070 175.916 -1.846 1 1 595 . 13 1 1 A 70 70 GLY CA C 50 45.390 53.162 -7.772 1 1 596 . 13 1 1 A 70 70 GLY N N 50 108.770 122.685 -13.915 1 1 597 . 13 1 1 A 71 71 GLU H H 51 7.800 8.778 -0.978 1 1 598 . 13 1 1 A 71 71 GLU HA H 51 4.430 4.433 -0.003 1 1 603 . 13 1 1 A 71 71 GLU C C 51 176.220 177.621 -1.401 1 1 604 . 13 1 1 A 71 71 GLU CA C 51 55.430 62.471 -7.041 1 1 605 . 13 1 1 A 71 71 GLU CB C 51 30.980 39.040 -8.060 1 1 607 . 13 1 1 A 71 71 GLU N N 51 119.390 126.901 -7.511 1 1 608 . 13 1 1 A 72 72 ASP H H 52 8.830 8.127 0.703 1 1 609 . 13 1 1 A 72 72 ASP HA H 52 4.850 4.177 0.673 1 1 612 . 13 1 1 A 72 72 ASP CA C 52 52.110 59.071 -6.961 1 1 613 . 13 1 1 A 72 72 ASP CB C 52 42.070 32.045 10.025 1 1 614 . 13 1 1 A 72 72 ASP N N 52 123.830 121.542 2.288 1 1 615 . 13 1 1 A 73 73 PRO HA H 53 4.410 4.436 -0.026 1 1 622 . 13 1 1 A 73 73 PRO C C 53 177.290 178.602 -1.312 1 1 623 . 13 1 1 A 73 73 PRO CA C 53 64.940 57.326 7.614 1 1 624 . 13 1 1 A 73 73 PRO CB C 53 32.130 41.191 -9.061 1 1 627 . 13 1 1 A 74 74 VAL H H 54 7.950 8.615 -0.665 1 1 628 . 13 1 1 A 74 74 VAL HA H 54 3.360 4.321 -0.961 1 1 636 . 13 1 1 A 74 74 VAL C C 54 177.540 178.013 -0.473 1 1 637 . 13 1 1 A 74 74 VAL CA C 54 66.820 62.263 4.557 1 1 638 . 13 1 1 A 74 74 VAL CB C 54 31.310 39.234 -7.924 1 1 641 . 13 1 1 A 74 74 VAL N N 54 118.670 120.556 -1.886 1 1 642 . 13 1 1 A 75 75 VAL H H 55 7.090 8.678 -1.588 1 1 643 . 13 1 1 A 75 75 VAL HA H 55 3.620 4.170 -0.550 1 1 651 . 13 1 1 A 75 75 VAL C C 55 175.050 177.909 -2.859 1 1 652 . 13 1 1 A 75 75 VAL CA C 55 65.440 58.577 6.863 1 1 653 . 13 1 1 A 75 75 VAL CB C 55 32.210 27.701 4.509 1 1 656 . 13 1 1 A 75 75 VAL N N 55 120.340 117.750 2.590 1 1 657 . 13 1 1 A 76 76 ALA H H 56 8.050 7.980 0.070 1 1 658 . 13 1 1 A 76 76 ALA HA H 56 3.870 3.999 -0.129 1 1 662 . 13 1 1 A 76 76 ALA C C 56 178.160 177.238 0.922 1 1 663 . 13 1 1 A 76 76 ALA CA C 56 54.840 66.696 -11.856 1 1 664 . 13 1 1 A 76 76 ALA CB C 56 19.250 68.277 -49.027 1 1 665 . 13 1 1 A 76 76 ALA N N 56 121.910 119.187 2.723 1 1 666 . 13 1 1 A 77 77 LEU H H 57 7.720 7.737 -0.017 1 1 667 . 13 1 1 A 77 77 LEU HA H 57 3.170 4.191 -1.021 1 1 677 . 13 1 1 A 77 77 LEU C C 57 178.010 178.864 -0.854 1 1 678 . 13 1 1 A 77 77 LEU CA C 57 58.260 58.304 -0.044 1 1 679 . 13 1 1 A 77 77 LEU CB C 57 39.970 27.740 12.230 1 1 683 . 13 1 1 A 77 77 LEU N N 57 120.030 120.124 -0.094 1 1 684 . 13 1 1 A 78 78 GLU H H 58 7.840 7.805 0.035 1 1 685 . 13 1 1 A 78 78 GLU HA H 58 3.510 4.307 -0.797 1 1 690 . 13 1 1 A 78 78 GLU C C 58 179.140 176.245 2.895 1 1 691 . 13 1 1 A 78 78 GLU CA C 58 60.290 61.097 -0.807 1 1 692 . 13 1 1 A 78 78 GLU CB C 58 29.420 63.019 -33.599 1 1 694 . 13 1 1 A 78 78 GLU N N 58 116.990 116.497 0.493 1 1 695 . 13 1 1 A 79 79 ALA H H 59 7.710 7.321 0.389 1 1 696 . 13 1 1 A 79 79 ALA HA H 59 3.940 4.285 -0.345 1 1 700 . 13 1 1 A 79 79 ALA C C 59 180.360 177.464 2.896 1 1 701 . 13 1 1 A 79 79 ALA CA C 59 54.790 56.290 -1.500 1 1 702 . 13 1 1 A 79 79 ALA CB C 59 17.930 42.639 -24.709 1 1 703 . 13 1 1 A 79 79 ALA N N 59 120.690 119.750 0.940 1 1 704 . 13 1 1 A 80 80 ALA H H 60 8.220 7.285 0.935 1 1 705 . 13 1 1 A 80 80 ALA HA H 60 3.970 4.245 -0.275 1 1 709 . 13 1 1 A 80 80 ALA C C 60 180.570 176.128 4.442 1 1 710 . 13 1 1 A 80 80 ALA CA C 60 54.160 64.134 -9.974 1 1 711 . 13 1 1 A 80 80 ALA CB C 60 18.830 68.798 -49.968 1 1 712 . 13 1 1 A 80 80 ALA N N 60 122.230 113.624 8.606 1 1 713 . 13 1 1 A 81 81 LEU H H 61 7.800 8.819 -1.019 1 1 714 . 13 1 1 A 81 81 LEU HA H 61 3.890 4.091 -0.201 1 1 724 . 13 1 1 A 81 81 LEU C C 61 177.590 176.254 1.336 1 1 725 . 13 1 1 A 81 81 LEU CA C 61 56.650 58.848 -2.198 1 1 726 . 13 1 1 A 81 81 LEU CB C 61 42.630 29.002 13.628 1 1 730 . 13 1 1 A 81 81 LEU N N 61 116.150 125.227 -9.077 1 1 731 . 13 1 1 A 82 82 GLN H H 62 7.450 7.560 -0.110 1 1 732 . 13 1 1 A 82 82 GLN HA H 62 4.250 4.830 -0.580 1 1 739 . 13 1 1 A 82 82 GLN C C 62 176.120 174.481 1.639 1 1 740 . 13 1 1 A 82 82 GLN CA C 62 55.880 52.273 3.607 1 1 741 . 13 1 1 A 82 82 GLN CB C 62 29.330 37.599 -8.269 1 1 743 . 13 1 1 A 82 82 GLN N N 62 115.740 119.580 -3.840 1 1 745 . 13 1 1 A 83 83 PHE H H 63 7.300 7.869 -0.569 1 1 746 . 13 1 1 A 83 83 PHE HA H 63 4.900 4.998 -0.098 1 1 753 . 13 1 1 A 83 83 PHE C C 63 176.470 173.800 2.670 1 1 754 . 13 1 1 A 83 83 PHE CA C 63 56.260 56.914 -0.654 1 1 755 . 13 1 1 A 83 83 PHE CB C 63 39.000 64.820 -25.820 1 1 758 . 13 1 1 A 83 83 PHE N N 63 120.420 119.260 1.160 1 1 759 . 13 1 1 A 84 84 GLU H H 64 9.090 8.658 0.432 1 1 760 . 13 1 1 A 84 84 GLU HA H 64 3.850 3.817 0.033 1 1 765 . 13 1 1 A 84 84 GLU C C 64 178.010 176.573 1.437 1 1 766 . 13 1 1 A 84 84 GLU CA C 64 59.910 63.934 -4.024 1 1 767 . 13 1 1 A 84 84 GLU CB C 64 29.640 37.862 -8.222 1 1 769 . 13 1 1 A 84 84 GLU N N 64 126.260 123.815 2.445 1 1 770 . 13 1 1 A 85 85 ASP H H 65 7.670 7.532 0.138 1 1 771 . 13 1 1 A 85 85 ASP HA H 65 4.480 4.592 -0.112 1 1 774 . 13 1 1 A 85 85 ASP C C 65 177.530 178.102 -0.572 1 1 775 . 13 1 1 A 85 85 ASP CA C 65 56.290 55.404 0.886 1 1 776 . 13 1 1 A 85 85 ASP CB C 65 40.480 41.789 -1.309 1 1 777 . 13 1 1 A 85 85 ASP N N 65 114.070 121.722 -7.652 1 1 778 . 13 1 1 A 86 86 THR H H 66 7.560 7.826 -0.266 1 1 779 . 13 1 1 A 86 86 THR HA H 66 4.530 3.996 0.534 1 1 784 . 13 1 1 A 86 86 THR C C 66 176.820 180.032 -3.212 1 1 785 . 13 1 1 A 86 86 THR CA C 66 62.380 54.987 7.393 1 1 786 . 13 1 1 A 86 86 THR CB C 66 70.200 17.854 52.346 1 1 788 . 13 1 1 A 86 86 THR N N 66 106.640 122.564 -15.924 1 1 789 . 13 1 1 A 87 87 ARG H H 67 8.100 8.196 -0.096 1 1 790 . 13 1 1 A 87 87 ARG HA H 67 4.020 3.950 0.070 1 1 797 . 13 1 1 A 87 87 ARG C C 67 178.760 176.553 2.207 1 1 798 . 13 1 1 A 87 87 ARG CA C 67 61.140 57.889 3.251 1 1 799 . 13 1 1 A 87 87 ARG CB C 67 30.220 27.588 2.632 1 1 802 . 13 1 1 A 87 87 ARG N N 67 124.220 115.719 8.501 1 1 803 . 13 1 1 A 88 88 GLU H H 68 8.790 7.710 1.080 1 1 804 . 13 1 1 A 88 88 GLU HA H 68 4.090 4.492 -0.402 1 1 809 . 13 1 1 A 88 88 GLU C C 68 179.320 175.801 3.519 1 1 810 . 13 1 1 A 88 88 GLU CA C 68 59.150 58.163 0.987 1 1 811 . 13 1 1 A 88 88 GLU CB C 68 28.930 38.685 -9.755 1 1 813 . 13 1 1 A 88 88 GLU N N 68 118.790 117.607 1.183 1 1 814 . 13 1 1 A 89 89 SER H H 69 8.140 7.610 0.530 1 1 815 . 13 1 1 A 89 89 SER HA H 69 4.390 4.095 0.295 1 1 818 . 13 1 1 A 89 89 SER C C 69 176.100 178.037 -1.937 1 1 819 . 13 1 1 A 89 89 SER CA C 69 61.000 53.154 7.846 1 1 820 . 13 1 1 A 89 89 SER CB C 69 63.190 18.311 44.879 1 1 821 . 13 1 1 A 89 89 SER N N 69 115.570 123.248 -7.678 1 1 822 . 13 1 1 A 90 90 MET H H 70 7.690 8.353 -0.663 1 1 831 . 13 1 1 A 90 90 MET C C 70 177.990 174.527 3.463 1 1 832 . 13 1 1 A 90 90 MET CA C 70 55.140 45.414 9.726 1 1 836 . 13 1 1 A 90 90 MET N N 70 118.160 111.286 6.874 1 1 837 . 13 1 1 A 91 91 HIS H H 71 7.740 7.930 -0.190 1 1 838 . 13 1 1 A 91 91 HIS HA H 71 4.430 4.420 0.010 1 1 842 . 13 1 1 A 91 91 HIS C C 71 177.460 175.753 1.707 1 1 843 . 13 1 1 A 91 91 HIS CA C 71 58.830 56.007 2.823 1 1 844 . 13 1 1 A 91 91 HIS CB C 71 29.680 30.928 -1.248 1 1 846 . 13 1 1 A 91 91 HIS N N 71 118.990 121.898 -2.908 1 1 847 . 13 1 1 A 92 92 ALA H H 72 7.230 8.418 -1.188 1 1 848 . 13 1 1 A 92 92 ALA HA H 72 3.900 4.679 -0.779 1 1 852 . 13 1 1 A 92 92 ALA C C 72 177.850 176.662 1.188 1 1 853 . 13 1 1 A 92 92 ALA CA C 72 53.840 52.084 1.756 1 1 854 . 13 1 1 A 92 92 ALA CB C 72 18.250 41.827 -23.577 1 1 855 . 13 1 1 A 92 92 ALA N N 72 120.170 125.802 -5.632 1 1 857 . 13 1 1 A 93 93 PHE HA H 73 4.970 4.432 0.538 1 1 865 . 13 1 1 A 93 93 PHE C C 73 174.000 178.555 -4.555 1 1 866 . 13 1 1 A 93 93 PHE CA C 73 56.420 65.652 -9.232 1 1 867 . 13 1 1 A 93 93 PHE CB C 73 39.050 31.760 7.290 1 1 871 . 13 1 1 A 93 93 PHE N N 73 113.910 141.512 -27.602 1 1 872 . 13 1 1 A 94 94 CYS H H 74 7.690 6.742 0.948 1 1 873 . 13 1 1 A 94 94 CYS HA H 74 4.120 3.502 0.618 1 1 876 . 13 1 1 A 94 94 CYS C C 74 174.900 177.894 -2.994 1 1 877 . 13 1 1 A 94 94 CYS CA C 74 58.200 64.993 -6.793 1 1 878 . 13 1 1 A 94 94 CYS CB C 74 27.320 31.371 -4.051 1 1 879 . 13 1 1 A 94 94 CYS N N 74 121.190 116.228 4.962 1 1 880 . 13 1 1 A 95 95 VAL H H 75 8.770 7.855 0.915 1 1 881 . 13 1 1 A 95 95 VAL HA H 75 3.820 3.663 0.157 1 1 889 . 13 1 1 A 95 95 VAL C C 75 175.640 178.087 -2.447 1 1 890 . 13 1 1 A 95 95 VAL CA C 75 62.250 66.244 -3.994 1 1 891 . 13 1 1 A 95 95 VAL CB C 75 32.280 31.589 0.691 1 1 894 . 13 1 1 A 95 95 VAL N N 75 128.310 120.786 7.524 1 1 895 . 13 1 1 A 96 96 GLY H H 76 7.130 7.979 -0.849 1 1 898 . 13 1 1 A 96 96 GLY C C 76 171.220 179.365 -8.145 1 1 899 . 13 1 1 A 96 96 GLY CA C 76 44.940 54.989 -10.049 1 1 900 . 13 1 1 A 96 96 GLY N N 76 105.330 121.345 -16.015 1 1 901 . 13 1 1 A 97 97 GLN H H 77 8.590 7.498 1.092 1 1 902 . 13 1 1 A 97 97 GLN HA H 77 4.460 3.806 0.654 1 1 909 . 13 1 1 A 97 97 GLN C C 77 174.070 178.536 -4.466 1 1 910 . 13 1 1 A 97 97 GLN CA C 77 54.860 56.962 -2.102 1 1 911 . 13 1 1 A 97 97 GLN CB C 77 30.820 41.233 -10.413 1 1 913 . 13 1 1 A 97 97 GLN N N 77 120.500 120.139 0.361 1 1 915 . 13 1 1 A 98 98 TYR H H 78 8.440 8.116 0.324 1 1 916 . 13 1 1 A 98 98 TYR HA H 78 4.960 3.905 1.055 1 1 923 . 13 1 1 A 98 98 TYR C C 78 174.460 179.053 -4.593 1 1 924 . 13 1 1 A 98 98 TYR CA C 78 56.660 58.956 -2.296 1 1 925 . 13 1 1 A 98 98 TYR CB C 78 40.450 29.582 10.868 1 1 928 . 13 1 1 A 98 98 TYR N N 78 125.460 118.879 6.581 1 1 929 . 13 1 1 A 99 99 LEU H H 79 8.100 7.811 0.289 1 1 930 . 13 1 1 A 99 99 LEU HA H 79 4.360 4.253 0.107 1 1 940 . 13 1 1 A 99 99 LEU C C 79 173.790 180.197 -6.407 1 1 941 . 13 1 1 A 99 99 LEU CA C 79 53.110 54.728 -1.618 1 1 942 . 13 1 1 A 99 99 LEU CB C 79 43.200 18.247 24.953 1 1 946 . 13 1 1 A 99 99 LEU N N 79 131.670 122.743 8.927 1 1 947 . 13 1 1 A 100 100 GLU H H 80 8.160 7.468 0.692 1 1 948 . 13 1 1 A 100 100 GLU HA H 80 4.140 4.316 -0.176 1 1 953 . 13 1 1 A 100 100 GLU CA C 80 54.540 54.976 -0.436 1 1 954 . 13 1 1 A 100 100 GLU CB C 80 29.270 18.234 11.036 1 1 956 . 13 1 1 A 100 100 GLU N N 80 125.120 120.421 4.699 1 1 957 . 13 1 1 A 101 101 PRO HA H 81 4.380 3.990 0.390 1 1 964 . 13 1 1 A 101 101 PRO C C 81 177.370 179.267 -1.897 1 1 965 . 13 1 1 A 101 101 PRO CA C 81 64.050 57.545 6.505 1 1 966 . 13 1 1 A 101 101 PRO CB C 81 32.130 41.313 -9.183 1 1 969 . 13 1 1 A 102 102 ASP H H 82 8.430 7.821 0.609 1 1 970 . 13 1 1 A 102 102 ASP HA H 82 4.550 4.237 0.313 1 1 973 . 13 1 1 A 102 102 ASP C C 82 176.950 175.914 1.036 1 1 974 . 13 1 1 A 102 102 ASP CA C 82 54.680 58.496 -3.816 1 1 975 . 13 1 1 A 102 102 ASP CB C 82 40.630 29.346 11.284 1 1 976 . 13 1 1 A 102 102 ASP N N 82 118.470 116.545 1.925 1 1 977 . 13 1 1 A 103 103 GLN H H 83 8.230 7.707 0.523 1 1 978 . 13 1 1 A 103 103 GLN HA H 83 4.340 4.762 -0.422 1 1 985 . 13 1 1 A 103 103 GLN C C 83 176.210 176.424 -0.214 1 1 986 . 13 1 1 A 103 103 GLN CA C 83 55.640 57.498 -1.858 1 1 987 . 13 1 1 A 103 103 GLN CB C 83 29.630 40.744 -11.114 1 1 989 . 13 1 1 A 103 103 GLN N N 83 119.650 120.979 -1.329 1 1 991 . 13 1 1 A 104 104 GLU H H 84 8.250 8.161 0.089 1 1 992 . 13 1 1 A 104 104 GLU HA H 84 4.220 3.954 0.266 1 1 997 . 13 1 1 A 104 104 GLU C C 84 177.100 178.044 -0.944 1 1 998 . 13 1 1 A 104 104 GLU CA C 84 57.220 59.214 -1.994 1 1 999 . 13 1 1 A 104 104 GLU CB C 84 30.320 28.867 1.453 1 1 1001 . 13 1 1 A 104 104 GLU N N 84 121.670 124.948 -3.278 1 1 1002 . 13 1 1 A 105 105 GLY H H 85 8.450 7.429 1.021 1 1 1005 . 13 1 1 A 105 105 GLY C C 85 174.000 177.902 -3.902 1 1 1006 . 13 1 1 A 105 105 GLY CA C 85 45.410 57.038 -11.628 1 1 1007 . 13 1 1 A 105 105 GLY N N 85 109.870 119.620 -9.750 1 1 1008 . 13 1 1 A 106 106 VAL H H 86 7.900 8.380 -0.480 1 1 1009 . 13 1 1 A 106 106 VAL HA H 86 4.190 4.305 -0.115 1 1 1017 . 13 1 1 A 106 106 VAL C C 86 176.300 175.900 0.400 1 1 1018 . 13 1 1 A 106 106 VAL CA C 86 62.190 64.743 -2.553 1 1 1019 . 13 1 1 A 106 106 VAL CB C 86 32.860 68.983 -36.123 1 1 1022 . 13 1 1 A 106 106 VAL N N 86 119.330 114.428 4.902 1 1 1023 . 13 1 1 A 107 107 THR H H 87 8.320 8.155 0.165 1 1 1024 . 13 1 1 A 107 107 THR HA H 87 4.350 4.050 0.300 1 1 1029 . 13 1 1 A 107 107 THR C C 87 174.050 177.954 -3.904 1 1 1030 . 13 1 1 A 107 107 THR CA C 87 61.870 57.990 3.880 1 1 1031 . 13 1 1 A 107 107 THR CB C 87 69.910 29.484 40.426 1 1 1033 . 13 1 1 A 107 107 THR N N 87 119.480 122.368 -2.888 1 1 1034 . 13 1 1 A 108 108 ILE H H 88 8.360 8.250 0.110 1 1 1035 . 13 1 1 A 108 108 ILE HA H 88 4.470 3.787 0.683 1 1 1045 . 13 1 1 A 108 108 ILE CA C 88 58.410 59.463 -1.053 1 1 1046 . 13 1 1 A 108 108 ILE CB C 88 38.530 29.259 9.271 1 1 1050 . 13 1 1 A 108 108 ILE N N 88 126.140 119.297 6.843 1 1 1051 . 13 1 1 A 109 109 PRO HA H 89 4.380 4.229 0.151 1 1 1058 . 13 1 1 A 109 109 PRO C C 89 176.290 176.897 -0.607 1 1 1059 . 13 1 1 A 109 109 PRO CA C 89 63.210 61.217 1.993 1 1 1060 . 13 1 1 A 109 109 PRO CB C 89 32.220 63.171 -30.951 1 1 1063 . 13 1 1 A 110 110 ASP H H 90 8.370 8.061 0.309 1 1 1064 . 13 1 1 A 110 110 ASP HA H 90 4.580 4.799 -0.219 1 1 1067 . 13 1 1 A 110 110 ASP C C 90 176.200 178.327 -2.127 1 1 1068 . 13 1 1 A 110 110 ASP CA C 90 54.290 56.802 -2.512 1 1 1069 . 13 1 1 A 110 110 ASP CB C 90 41.120 31.754 9.366 1 1 1070 . 13 1 1 A 110 110 ASP N N 90 120.470 119.880 0.590 1 1 1071 . 13 1 1 A 111 111 LEU H H 91 8.250 7.730 0.520 1 1 1072 . 13 1 1 A 111 111 LEU HA H 91 4.370 4.392 -0.022 1 1 1081 . 13 1 1 A 111 111 LEU C C 91 177.040 178.001 -0.961 1 1 1082 . 13 1 1 A 111 111 LEU CA C 91 55.060 59.734 -4.674 1 1 1083 . 13 1 1 A 111 111 LEU CB C 91 42.290 29.491 12.799 1 1 1086 . 13 1 1 A 111 111 LEU N N 91 123.570 117.455 6.115 1 1 1087 . 13 1 1 A 112 112 GLY H H 92 8.080 8.196 -0.116 1 1 1090 . 13 1 1 A 112 112 GLY CA C 92 46.190 54.940 -8.750 1 1 246 . 14 1 1 A 42 42 THR H H 22 8.820 7.515 1.305 1 1 247 . 14 1 1 A 42 42 THR HA H 22 4.800 4.408 0.392 1 1 252 . 14 1 1 A 42 42 THR C C 22 170.950 175.516 -4.566 1 1 253 . 14 1 1 A 42 42 THR CA C 22 60.870 56.394 4.476 1 1 254 . 14 1 1 A 42 42 THR CB C 22 71.510 32.667 38.843 1 1 256 . 14 1 1 A 42 42 THR N N 22 116.000 118.203 -2.203 1 1 257 . 14 1 1 A 43 43 VAL H H 23 8.140 8.510 -0.370 1 1 258 . 14 1 1 A 43 43 VAL HA H 23 4.830 4.707 0.123 1 1 266 . 14 1 1 A 43 43 VAL C C 23 176.470 173.915 2.555 1 1 267 . 14 1 1 A 43 43 VAL CA C 23 61.540 60.067 1.473 1 1 268 . 14 1 1 A 43 43 VAL CB C 23 32.270 34.144 -1.874 1 1 271 . 14 1 1 A 43 43 VAL N N 23 125.850 123.289 2.561 1 1 272 . 14 1 1 A 44 44 ILE H H 24 9.350 9.060 0.290 1 1 273 . 14 1 1 A 44 44 ILE HA H 24 4.220 4.811 -0.591 1 1 283 . 14 1 1 A 44 44 ILE C C 24 176.050 173.534 2.516 1 1 284 . 14 1 1 A 44 44 ILE CA C 24 60.880 62.071 -1.191 1 1 285 . 14 1 1 A 44 44 ILE CB C 24 40.830 69.547 -28.717 1 1 289 . 14 1 1 A 44 44 ILE N N 24 128.460 123.284 5.176 1 1 290 . 14 1 1 A 45 45 ASP H H 25 9.450 9.071 0.379 1 1 291 . 14 1 1 A 45 45 ASP HA H 25 4.320 5.032 -0.712 1 1 294 . 14 1 1 A 45 45 ASP C C 25 176.060 175.914 0.146 1 1 295 . 14 1 1 A 45 45 ASP CA C 25 55.170 53.218 1.952 1 1 296 . 14 1 1 A 45 45 ASP CB C 25 39.870 42.330 -2.460 1 1 297 . 14 1 1 A 45 45 ASP N N 25 129.730 128.157 1.573 1 1 298 . 14 1 1 A 46 46 GLY H H 26 8.360 9.027 -0.667 1 1 301 . 14 1 1 A 46 46 GLY C C 26 173.150 175.604 -2.454 1 1 302 . 14 1 1 A 46 46 GLY CA C 26 46.190 61.222 -15.032 1 1 303 . 14 1 1 A 46 46 GLY N N 26 102.380 125.269 -22.889 1 1 304 . 14 1 1 A 47 47 LYS H H 27 8.000 8.489 -0.489 1 1 305 . 14 1 1 A 47 47 LYS HA H 27 4.780 4.393 0.387 1 1 314 . 14 1 1 A 47 47 LYS C C 27 177.050 176.751 0.299 1 1 315 . 14 1 1 A 47 47 LYS CA C 27 54.870 54.301 0.569 1 1 316 . 14 1 1 A 47 47 LYS CB C 27 36.020 31.536 4.484 1 1 320 . 14 1 1 A 47 47 LYS N N 27 121.330 125.891 -4.561 1 1 321 . 14 1 1 A 48 48 VAL H H 28 8.160 8.779 -0.619 1 1 322 . 14 1 1 A 48 48 VAL HA H 28 4.450 4.099 0.351 1 1 330 . 14 1 1 A 48 48 VAL C C 28 174.640 177.847 -3.207 1 1 331 . 14 1 1 A 48 48 VAL CA C 28 60.800 64.130 -3.330 1 1 332 . 14 1 1 A 48 48 VAL CB C 28 32.310 37.834 -5.524 1 1 335 . 14 1 1 A 48 48 VAL N N 28 119.880 120.730 -0.850 1 1 336 . 14 1 1 A 49 49 TYR H H 29 9.130 8.413 0.717 1 1 337 . 14 1 1 A 49 49 TYR HA H 29 5.200 4.036 1.164 1 1 344 . 14 1 1 A 49 49 TYR C C 29 174.540 180.420 -5.880 1 1 345 . 14 1 1 A 49 49 TYR CA C 29 56.640 55.849 0.791 1 1 346 . 14 1 1 A 49 49 TYR CB C 29 43.420 18.430 24.990 1 1 349 . 14 1 1 A 49 49 TYR N N 29 124.890 123.187 1.703 1 1 350 . 14 1 1 A 50 50 ASP H H 30 9.000 7.733 1.267 1 1 351 . 14 1 1 A 50 50 ASP HA H 30 5.330 4.432 0.898 1 1 354 . 14 1 1 A 50 50 ASP C C 30 176.020 179.240 -3.220 1 1 355 . 14 1 1 A 50 50 ASP CA C 30 53.180 57.553 -4.373 1 1 356 . 14 1 1 A 50 50 ASP CB C 30 40.910 40.284 0.626 1 1 357 . 14 1 1 A 50 50 ASP N N 30 119.790 118.550 1.240 1 1 358 . 14 1 1 A 51 51 ILE H H 31 8.700 8.063 0.637 1 1 359 . 14 1 1 A 51 51 ILE HA H 31 3.710 4.040 -0.330 1 1 369 . 14 1 1 A 51 51 ILE C C 31 178.070 179.099 -1.029 1 1 370 . 14 1 1 A 51 51 ILE CA C 31 60.750 58.156 2.594 1 1 371 . 14 1 1 A 51 51 ILE CB C 31 35.230 41.378 -6.148 1 1 375 . 14 1 1 A 51 51 ILE N N 31 125.270 121.388 3.882 1 1 376 . 14 1 1 A 52 52 LYS H H 32 8.030 8.127 -0.097 1 1 377 . 14 1 1 A 52 52 LYS HA H 32 4.340 3.905 0.435 1 1 386 . 14 1 1 A 52 52 LYS C C 32 179.540 178.622 0.918 1 1 387 . 14 1 1 A 52 52 LYS CA C 32 59.380 59.964 -0.584 1 1 388 . 14 1 1 A 52 52 LYS CB C 32 31.930 29.263 2.667 1 1 392 . 14 1 1 A 52 52 LYS N N 32 120.520 117.770 2.750 1 1 393 . 14 1 1 A 53 53 ASP H H 33 7.810 8.225 -0.415 1 1 394 . 14 1 1 A 53 53 ASP HA H 33 4.620 4.425 0.195 1 1 397 . 14 1 1 A 53 53 ASP C C 33 177.670 178.068 -0.398 1 1 398 . 14 1 1 A 53 53 ASP CA C 33 56.840 55.840 1.000 1 1 399 . 14 1 1 A 53 53 ASP CB C 33 41.220 37.467 3.753 1 1 400 . 14 1 1 A 53 53 ASP N N 33 120.590 117.505 3.085 1 1 401 . 14 1 1 A 54 54 PHE H H 34 7.660 7.882 -0.222 1 1 402 . 14 1 1 A 54 54 PHE HA H 34 3.100 4.028 -0.928 1 1 410 . 14 1 1 A 54 54 PHE C C 34 176.960 176.848 0.112 1 1 411 . 14 1 1 A 54 54 PHE CA C 34 60.670 58.556 2.114 1 1 412 . 14 1 1 A 54 54 PHE CB C 34 38.870 29.217 9.653 1 1 416 . 14 1 1 A 54 54 PHE N N 34 120.480 119.297 1.183 1 1 417 . 14 1 1 A 55 55 GLN H H 35 8.860 8.135 0.725 1 1 418 . 14 1 1 A 55 55 GLN HA H 35 3.660 4.283 -0.623 1 1 425 . 14 1 1 A 55 55 GLN C C 35 178.510 177.516 0.994 1 1 426 . 14 1 1 A 55 55 GLN CA C 35 58.980 56.851 2.129 1 1 427 . 14 1 1 A 55 55 GLN CB C 35 29.450 39.391 -9.941 1 1 429 . 14 1 1 A 55 55 GLN N N 35 119.060 116.993 2.067 1 1 431 . 14 1 1 A 56 56 THR H H 36 8.150 8.322 -0.172 1 1 432 . 14 1 1 A 56 56 THR HA H 36 3.930 4.432 -0.502 1 1 437 . 14 1 1 A 56 56 THR C C 36 176.550 177.104 -0.554 1 1 438 . 14 1 1 A 56 56 THR CA C 36 66.070 56.347 9.723 1 1 439 . 14 1 1 A 56 56 THR CB C 36 69.030 38.645 30.385 1 1 441 . 14 1 1 A 56 56 THR N N 36 115.130 117.552 -2.422 1 1 442 . 14 1 1 A 57 57 GLN H H 37 8.230 7.383 0.847 1 1 443 . 14 1 1 A 57 57 GLN HA H 37 4.210 4.435 -0.225 1 1 450 . 14 1 1 A 57 57 GLN CA C 37 58.050 54.431 3.619 1 1 451 . 14 1 1 A 57 57 GLN CB C 37 28.290 40.896 -12.606 1 1 453 . 14 1 1 A 57 57 GLN N N 37 119.670 117.003 2.667 1 1 458 . 14 1 1 A 58 58 SER C C 38 174.020 175.027 -1.007 1 1 459 . 14 1 1 A 58 58 SER CA C 38 60.500 45.239 15.261 1 1 461 . 14 1 1 A 59 59 LEU H H 39 7.320 7.293 0.027 1 1 465 . 14 1 1 A 59 59 LEU CA C 39 55.140 45.768 9.372 1 1 467 . 14 1 1 A 59 59 LEU N N 39 120.250 107.604 12.646 1 1 468 . 14 1 1 A 60 60 THR H H 40 7.510 9.074 -1.564 1 1 469 . 14 1 1 A 60 60 THR HA H 40 4.250 4.831 -0.581 1 1 474 . 14 1 1 A 60 60 THR C C 40 174.900 174.405 0.495 1 1 475 . 14 1 1 A 60 60 THR CA C 40 62.320 56.832 5.488 1 1 476 . 14 1 1 A 60 60 THR CB C 40 70.110 39.370 30.740 1 1 478 . 14 1 1 A 60 60 THR N N 40 112.820 126.685 -13.865 1 1 479 . 14 1 1 A 61 61 GLU H H 41 8.510 8.955 -0.445 1 1 480 . 14 1 1 A 61 61 GLU HA H 41 4.100 5.448 -1.348 1 1 485 . 14 1 1 A 61 61 GLU C C 41 176.720 175.517 1.203 1 1 486 . 14 1 1 A 61 61 GLU CA C 41 57.840 56.509 1.331 1 1 487 . 14 1 1 A 61 61 GLU CB C 41 29.840 31.858 -2.018 1 1 489 . 14 1 1 A 61 61 GLU N N 41 123.410 127.892 -4.482 1 1 490 . 14 1 1 A 62 62 ASN H H 42 8.600 8.538 0.062 1 1 491 . 14 1 1 A 62 62 ASN HA H 42 4.580 4.803 -0.223 1 1 496 . 14 1 1 A 62 62 ASN C C 42 174.940 172.163 2.777 1 1 497 . 14 1 1 A 62 62 ASN CA C 42 53.760 60.294 -6.534 1 1 498 . 14 1 1 A 62 62 ASN CB C 42 38.130 70.990 -32.860 1 1 499 . 14 1 1 A 62 62 ASN N N 42 117.760 115.061 2.699 1 1 501 . 14 1 1 A 63 63 SER H H 43 7.800 8.325 -0.525 1 1 502 . 14 1 1 A 63 63 SER HA H 43 4.400 4.907 -0.507 1 1 505 . 14 1 1 A 63 63 SER C C 43 177.320 174.882 2.438 1 1 506 . 14 1 1 A 63 63 SER CA C 43 58.730 60.984 -2.254 1 1 507 . 14 1 1 A 63 63 SER CB C 43 64.210 33.580 30.630 1 1 508 . 14 1 1 A 63 63 SER N N 43 114.610 123.052 -8.442 1 1 509 . 14 1 1 A 64 64 ILE H H 44 8.710 8.757 -0.047 1 1 510 . 14 1 1 A 64 64 ILE HA H 44 4.180 4.528 -0.348 1 1 520 . 14 1 1 A 64 64 ILE C C 44 176.550 175.915 0.635 1 1 521 . 14 1 1 A 64 64 ILE CA C 44 63.280 60.010 3.270 1 1 522 . 14 1 1 A 64 64 ILE CB C 44 38.110 40.648 -2.538 1 1 526 . 14 1 1 A 64 64 ILE N N 44 125.240 127.248 -2.008 1 1 527 . 14 1 1 A 65 65 LEU H H 45 8.160 9.485 -1.325 1 1 528 . 14 1 1 A 65 65 LEU HA H 45 4.450 4.308 0.142 1 1 538 . 14 1 1 A 65 65 LEU C C 45 177.800 175.539 2.261 1 1 539 . 14 1 1 A 65 65 LEU CA C 45 54.820 55.138 -0.318 1 1 540 . 14 1 1 A 65 65 LEU CB C 45 41.790 39.798 1.992 1 1 544 . 14 1 1 A 65 65 LEU N N 45 118.980 127.906 -8.926 1 1 545 . 14 1 1 A 66 66 ALA H H 46 7.700 8.704 -1.004 1 1 550 . 14 1 1 A 66 66 ALA C C 46 179.870 173.720 6.150 1 1 551 . 14 1 1 A 66 66 ALA CA C 46 54.980 45.861 9.119 1 1 553 . 14 1 1 A 66 66 ALA N N 46 122.830 103.839 18.991 1 1 554 . 14 1 1 A 67 67 GLN H H 47 7.920 7.749 0.171 1 1 555 . 14 1 1 A 67 67 GLN HA H 47 4.110 4.706 -0.596 1 1 562 . 14 1 1 A 67 67 GLN C C 47 175.990 174.829 1.161 1 1 563 . 14 1 1 A 67 67 GLN CA C 47 57.170 53.945 3.225 1 1 564 . 14 1 1 A 67 67 GLN CB C 47 28.180 35.192 -7.012 1 1 566 . 14 1 1 A 67 67 GLN N N 47 115.030 120.221 -5.191 1 1 568 . 14 1 1 A 68 68 PHE H H 48 7.790 8.299 -0.509 1 1 569 . 14 1 1 A 68 68 PHE HA H 48 4.690 4.607 0.083 1 1 576 . 14 1 1 A 68 68 PHE C C 48 175.620 174.195 1.425 1 1 577 . 14 1 1 A 68 68 PHE CA C 48 57.220 60.931 -3.711 1 1 578 . 14 1 1 A 68 68 PHE CB C 48 39.320 32.441 6.879 1 1 581 . 14 1 1 A 68 68 PHE N N 48 118.560 122.132 -3.572 1 1 582 . 14 1 1 A 69 69 ALA H H 49 7.600 8.986 -1.386 1 1 583 . 14 1 1 A 69 69 ALA HA H 49 4.120 5.277 -1.157 1 1 587 . 14 1 1 A 69 69 ALA C C 49 178.250 174.359 3.891 1 1 588 . 14 1 1 A 69 69 ALA CA C 49 53.920 55.855 -1.935 1 1 589 . 14 1 1 A 69 69 ALA CB C 49 18.660 41.900 -23.240 1 1 590 . 14 1 1 A 69 69 ALA N N 49 123.340 126.531 -3.191 1 1 591 . 14 1 1 A 70 70 GLY H H 50 8.500 8.527 -0.027 1 1 594 . 14 1 1 A 70 70 GLY C C 50 174.070 176.973 -2.903 1 1 595 . 14 1 1 A 70 70 GLY CA C 50 45.390 53.160 -7.770 1 1 596 . 14 1 1 A 70 70 GLY N N 50 108.770 124.006 -15.236 1 1 597 . 14 1 1 A 71 71 GLU H H 51 7.800 8.828 -1.028 1 1 598 . 14 1 1 A 71 71 GLU HA H 51 4.430 3.962 0.468 1 1 603 . 14 1 1 A 71 71 GLU C C 51 176.220 178.316 -2.096 1 1 604 . 14 1 1 A 71 71 GLU CA C 51 55.430 64.963 -9.533 1 1 605 . 14 1 1 A 71 71 GLU CB C 51 30.980 37.632 -6.652 1 1 607 . 14 1 1 A 71 71 GLU N N 51 119.390 126.182 -6.792 1 1 608 . 14 1 1 A 72 72 ASP H H 52 8.830 7.894 0.936 1 1 609 . 14 1 1 A 72 72 ASP HA H 52 4.850 4.315 0.535 1 1 612 . 14 1 1 A 72 72 ASP CA C 52 52.110 59.500 -7.390 1 1 613 . 14 1 1 A 72 72 ASP CB C 52 42.070 32.182 9.888 1 1 614 . 14 1 1 A 72 72 ASP N N 52 123.830 122.315 1.515 1 1 615 . 14 1 1 A 73 73 PRO HA H 53 4.410 4.521 -0.111 1 1 622 . 14 1 1 A 73 73 PRO C C 53 177.290 178.678 -1.388 1 1 623 . 14 1 1 A 73 73 PRO CA C 53 64.940 57.407 7.533 1 1 624 . 14 1 1 A 73 73 PRO CB C 53 32.130 40.945 -8.815 1 1 627 . 14 1 1 A 74 74 VAL H H 54 7.950 8.410 -0.460 1 1 628 . 14 1 1 A 74 74 VAL HA H 54 3.360 4.226 -0.866 1 1 636 . 14 1 1 A 74 74 VAL C C 54 177.540 177.949 -0.409 1 1 637 . 14 1 1 A 74 74 VAL CA C 54 66.820 62.121 4.699 1 1 638 . 14 1 1 A 74 74 VAL CB C 54 31.310 39.101 -7.791 1 1 641 . 14 1 1 A 74 74 VAL N N 54 118.670 120.594 -1.924 1 1 642 . 14 1 1 A 75 75 VAL H H 55 7.090 8.645 -1.555 1 1 643 . 14 1 1 A 75 75 VAL HA H 55 3.620 4.315 -0.695 1 1 651 . 14 1 1 A 75 75 VAL C C 55 175.050 177.992 -2.942 1 1 652 . 14 1 1 A 75 75 VAL CA C 55 65.440 58.617 6.823 1 1 653 . 14 1 1 A 75 75 VAL CB C 55 32.210 27.701 4.509 1 1 656 . 14 1 1 A 75 75 VAL N N 55 120.340 117.797 2.543 1 1 657 . 14 1 1 A 76 76 ALA H H 56 8.050 7.911 0.139 1 1 658 . 14 1 1 A 76 76 ALA HA H 56 3.870 3.898 -0.028 1 1 662 . 14 1 1 A 76 76 ALA C C 56 178.160 177.311 0.849 1 1 663 . 14 1 1 A 76 76 ALA CA C 56 54.840 66.970 -12.130 1 1 664 . 14 1 1 A 76 76 ALA CB C 56 19.250 68.257 -49.007 1 1 665 . 14 1 1 A 76 76 ALA N N 56 121.910 119.562 2.348 1 1 666 . 14 1 1 A 77 77 LEU H H 57 7.720 7.741 -0.021 1 1 667 . 14 1 1 A 77 77 LEU HA H 57 3.170 4.186 -1.016 1 1 677 . 14 1 1 A 77 77 LEU C C 57 178.010 178.934 -0.924 1 1 678 . 14 1 1 A 77 77 LEU CA C 57 58.260 58.279 -0.019 1 1 679 . 14 1 1 A 77 77 LEU CB C 57 39.970 27.993 11.977 1 1 683 . 14 1 1 A 77 77 LEU N N 57 120.030 120.034 -0.004 1 1 684 . 14 1 1 A 78 78 GLU H H 58 7.840 7.938 -0.098 1 1 685 . 14 1 1 A 78 78 GLU HA H 58 3.510 4.363 -0.853 1 1 690 . 14 1 1 A 78 78 GLU C C 58 179.140 175.914 3.226 1 1 691 . 14 1 1 A 78 78 GLU CA C 58 60.290 61.006 -0.716 1 1 692 . 14 1 1 A 78 78 GLU CB C 58 29.420 63.010 -33.590 1 1 694 . 14 1 1 A 78 78 GLU N N 58 116.990 116.305 0.685 1 1 695 . 14 1 1 A 79 79 ALA H H 59 7.710 7.722 -0.012 1 1 696 . 14 1 1 A 79 79 ALA HA H 59 3.940 4.311 -0.371 1 1 700 . 14 1 1 A 79 79 ALA C C 59 180.360 177.300 3.060 1 1 701 . 14 1 1 A 79 79 ALA CA C 59 54.790 56.178 -1.388 1 1 702 . 14 1 1 A 79 79 ALA CB C 59 17.930 42.282 -24.352 1 1 703 . 14 1 1 A 79 79 ALA N N 59 120.690 119.759 0.931 1 1 704 . 14 1 1 A 80 80 ALA H H 60 8.220 7.567 0.653 1 1 705 . 14 1 1 A 80 80 ALA HA H 60 3.970 4.412 -0.442 1 1 709 . 14 1 1 A 80 80 ALA C C 60 180.570 174.868 5.702 1 1 710 . 14 1 1 A 80 80 ALA CA C 60 54.160 63.238 -9.078 1 1 711 . 14 1 1 A 80 80 ALA CB C 60 18.830 69.478 -50.648 1 1 712 . 14 1 1 A 80 80 ALA N N 60 122.230 113.679 8.551 1 1 713 . 14 1 1 A 81 81 LEU H H 61 7.800 8.884 -1.084 1 1 714 . 14 1 1 A 81 81 LEU HA H 61 3.890 4.086 -0.196 1 1 724 . 14 1 1 A 81 81 LEU C C 61 177.590 177.263 0.327 1 1 725 . 14 1 1 A 81 81 LEU CA C 61 56.650 59.295 -2.645 1 1 726 . 14 1 1 A 81 81 LEU CB C 61 42.630 29.648 12.982 1 1 730 . 14 1 1 A 81 81 LEU N N 61 116.150 126.530 -10.380 1 1 731 . 14 1 1 A 82 82 GLN H H 62 7.450 7.861 -0.411 1 1 732 . 14 1 1 A 82 82 GLN HA H 62 4.250 4.847 -0.597 1 1 739 . 14 1 1 A 82 82 GLN C C 62 176.120 173.662 2.458 1 1 740 . 14 1 1 A 82 82 GLN CA C 62 55.880 52.658 3.222 1 1 741 . 14 1 1 A 82 82 GLN CB C 62 29.330 36.392 -7.062 1 1 743 . 14 1 1 A 82 82 GLN N N 62 115.740 116.221 -0.481 1 1 745 . 14 1 1 A 83 83 PHE H H 63 7.300 8.014 -0.714 1 1 746 . 14 1 1 A 83 83 PHE HA H 63 4.900 4.784 0.116 1 1 753 . 14 1 1 A 83 83 PHE C C 63 176.470 174.846 1.624 1 1 754 . 14 1 1 A 83 83 PHE CA C 63 56.260 56.162 0.098 1 1 755 . 14 1 1 A 83 83 PHE CB C 63 39.000 66.245 -27.245 1 1 758 . 14 1 1 A 83 83 PHE N N 63 120.420 113.242 7.178 1 1 759 . 14 1 1 A 84 84 GLU H H 64 9.090 8.629 0.461 1 1 760 . 14 1 1 A 84 84 GLU HA H 64 3.850 3.870 -0.020 1 1 765 . 14 1 1 A 84 84 GLU C C 64 178.010 176.496 1.514 1 1 766 . 14 1 1 A 84 84 GLU CA C 64 59.910 63.943 -4.033 1 1 767 . 14 1 1 A 84 84 GLU CB C 64 29.640 37.890 -8.250 1 1 769 . 14 1 1 A 84 84 GLU N N 64 126.260 118.354 7.906 1 1 770 . 14 1 1 A 85 85 ASP H H 65 7.670 7.747 -0.077 1 1 771 . 14 1 1 A 85 85 ASP HA H 65 4.480 4.628 -0.148 1 1 774 . 14 1 1 A 85 85 ASP C C 65 177.530 177.853 -0.323 1 1 775 . 14 1 1 A 85 85 ASP CA C 65 56.290 54.986 1.304 1 1 776 . 14 1 1 A 85 85 ASP CB C 65 40.480 41.859 -1.379 1 1 777 . 14 1 1 A 85 85 ASP N N 65 114.070 121.891 -7.821 1 1 778 . 14 1 1 A 86 86 THR H H 66 7.560 7.853 -0.293 1 1 779 . 14 1 1 A 86 86 THR HA H 66 4.530 4.015 0.515 1 1 784 . 14 1 1 A 86 86 THR C C 66 176.820 180.112 -3.292 1 1 785 . 14 1 1 A 86 86 THR CA C 66 62.380 54.938 7.442 1 1 786 . 14 1 1 A 86 86 THR CB C 66 70.200 18.193 52.007 1 1 788 . 14 1 1 A 86 86 THR N N 66 106.640 123.106 -16.466 1 1 789 . 14 1 1 A 87 87 ARG H H 67 8.100 8.200 -0.100 1 1 790 . 14 1 1 A 87 87 ARG HA H 67 4.020 3.950 0.070 1 1 797 . 14 1 1 A 87 87 ARG C C 67 178.760 176.573 2.187 1 1 798 . 14 1 1 A 87 87 ARG CA C 67 61.140 58.162 2.978 1 1 799 . 14 1 1 A 87 87 ARG CB C 67 30.220 27.826 2.394 1 1 802 . 14 1 1 A 87 87 ARG N N 67 124.220 115.809 8.411 1 1 803 . 14 1 1 A 88 88 GLU H H 68 8.790 7.448 1.342 1 1 804 . 14 1 1 A 88 88 GLU HA H 68 4.090 4.398 -0.308 1 1 809 . 14 1 1 A 88 88 GLU C C 68 179.320 176.541 2.779 1 1 810 . 14 1 1 A 88 88 GLU CA C 68 59.150 58.358 0.792 1 1 811 . 14 1 1 A 88 88 GLU CB C 68 28.930 38.432 -9.502 1 1 813 . 14 1 1 A 88 88 GLU N N 68 118.790 117.695 1.095 1 1 814 . 14 1 1 A 89 89 SER H H 69 8.140 7.794 0.346 1 1 815 . 14 1 1 A 89 89 SER HA H 69 4.390 4.146 0.244 1 1 818 . 14 1 1 A 89 89 SER C C 69 176.100 178.864 -2.764 1 1 819 . 14 1 1 A 89 89 SER CA C 69 61.000 54.870 6.130 1 1 820 . 14 1 1 A 89 89 SER CB C 69 63.190 18.230 44.960 1 1 821 . 14 1 1 A 89 89 SER N N 69 115.570 122.361 -6.791 1 1 822 . 14 1 1 A 90 90 MET H H 70 7.690 8.086 -0.396 1 1 831 . 14 1 1 A 90 90 MET C C 70 177.990 173.410 4.580 1 1 832 . 14 1 1 A 90 90 MET CA C 70 55.140 45.543 9.597 1 1 836 . 14 1 1 A 90 90 MET N N 70 118.160 105.614 12.546 1 1 837 . 14 1 1 A 91 91 HIS H H 71 7.740 7.483 0.257 1 1 838 . 14 1 1 A 91 91 HIS HA H 71 4.430 5.054 -0.624 1 1 842 . 14 1 1 A 91 91 HIS C C 71 177.460 174.305 3.155 1 1 843 . 14 1 1 A 91 91 HIS CA C 71 58.830 54.423 4.407 1 1 844 . 14 1 1 A 91 91 HIS CB C 71 29.680 33.594 -3.914 1 1 846 . 14 1 1 A 91 91 HIS N N 71 118.990 120.828 -1.838 1 1 847 . 14 1 1 A 92 92 ALA H H 72 7.230 8.701 -1.471 1 1 848 . 14 1 1 A 92 92 ALA HA H 72 3.900 4.713 -0.813 1 1 852 . 14 1 1 A 92 92 ALA C C 72 177.850 176.528 1.322 1 1 853 . 14 1 1 A 92 92 ALA CA C 72 53.840 52.092 1.748 1 1 854 . 14 1 1 A 92 92 ALA CB C 72 18.250 42.059 -23.809 1 1 855 . 14 1 1 A 92 92 ALA N N 72 120.170 126.146 -5.976 1 1 857 . 14 1 1 A 93 93 PHE HA H 73 4.970 4.352 0.618 1 1 865 . 14 1 1 A 93 93 PHE C C 73 174.000 178.548 -4.548 1 1 866 . 14 1 1 A 93 93 PHE CA C 73 56.420 65.196 -8.776 1 1 867 . 14 1 1 A 93 93 PHE CB C 73 39.050 31.714 7.336 1 1 871 . 14 1 1 A 93 93 PHE N N 73 113.910 141.453 -27.543 1 1 872 . 14 1 1 A 94 94 CYS H H 74 7.690 6.749 0.941 1 1 873 . 14 1 1 A 94 94 CYS HA H 74 4.120 3.526 0.594 1 1 876 . 14 1 1 A 94 94 CYS C C 74 174.900 177.940 -3.040 1 1 877 . 14 1 1 A 94 94 CYS CA C 74 58.200 65.041 -6.841 1 1 878 . 14 1 1 A 94 94 CYS CB C 74 27.320 31.502 -4.182 1 1 879 . 14 1 1 A 94 94 CYS N N 74 121.190 116.269 4.921 1 1 880 . 14 1 1 A 95 95 VAL H H 75 8.770 7.929 0.841 1 1 881 . 14 1 1 A 95 95 VAL HA H 75 3.820 3.698 0.122 1 1 889 . 14 1 1 A 95 95 VAL C C 75 175.640 178.222 -2.582 1 1 890 . 14 1 1 A 95 95 VAL CA C 75 62.250 66.109 -3.859 1 1 891 . 14 1 1 A 95 95 VAL CB C 75 32.280 31.505 0.775 1 1 894 . 14 1 1 A 95 95 VAL N N 75 128.310 120.481 7.829 1 1 895 . 14 1 1 A 96 96 GLY H H 76 7.130 7.922 -0.792 1 1 898 . 14 1 1 A 96 96 GLY C C 76 171.220 179.476 -8.256 1 1 899 . 14 1 1 A 96 96 GLY CA C 76 44.940 54.893 -9.953 1 1 900 . 14 1 1 A 96 96 GLY N N 76 105.330 121.433 -16.103 1 1 901 . 14 1 1 A 97 97 GLN H H 77 8.590 7.488 1.102 1 1 902 . 14 1 1 A 97 97 GLN HA H 77 4.460 3.690 0.770 1 1 909 . 14 1 1 A 97 97 GLN C C 77 174.070 178.533 -4.463 1 1 910 . 14 1 1 A 97 97 GLN CA C 77 54.860 56.836 -1.976 1 1 911 . 14 1 1 A 97 97 GLN CB C 77 30.820 41.252 -10.432 1 1 913 . 14 1 1 A 97 97 GLN N N 77 120.500 120.313 0.187 1 1 915 . 14 1 1 A 98 98 TYR H H 78 8.440 7.990 0.450 1 1 916 . 14 1 1 A 98 98 TYR HA H 78 4.960 3.870 1.090 1 1 923 . 14 1 1 A 98 98 TYR C C 78 174.460 179.031 -4.571 1 1 924 . 14 1 1 A 98 98 TYR CA C 78 56.660 58.987 -2.327 1 1 925 . 14 1 1 A 98 98 TYR CB C 78 40.450 29.519 10.931 1 1 928 . 14 1 1 A 98 98 TYR N N 78 125.460 118.882 6.578 1 1 929 . 14 1 1 A 99 99 LEU H H 79 8.100 7.670 0.430 1 1 930 . 14 1 1 A 99 99 LEU HA H 79 4.360 4.069 0.291 1 1 940 . 14 1 1 A 99 99 LEU C C 79 173.790 180.326 -6.536 1 1 941 . 14 1 1 A 99 99 LEU CA C 79 53.110 54.747 -1.637 1 1 942 . 14 1 1 A 99 99 LEU CB C 79 43.200 18.294 24.906 1 1 946 . 14 1 1 A 99 99 LEU N N 79 131.670 122.742 8.928 1 1 947 . 14 1 1 A 100 100 GLU H H 80 8.160 7.543 0.617 1 1 948 . 14 1 1 A 100 100 GLU HA H 80 4.140 4.447 -0.307 1 1 953 . 14 1 1 A 100 100 GLU CA C 80 54.540 54.824 -0.284 1 1 954 . 14 1 1 A 100 100 GLU CB C 80 29.270 18.285 10.985 1 1 956 . 14 1 1 A 100 100 GLU N N 80 125.120 120.569 4.551 1 1 957 . 14 1 1 A 101 101 PRO HA H 81 4.380 4.025 0.355 1 1 964 . 14 1 1 A 101 101 PRO C C 81 177.370 178.699 -1.329 1 1 965 . 14 1 1 A 101 101 PRO CA C 81 64.050 57.717 6.333 1 1 966 . 14 1 1 A 101 101 PRO CB C 81 32.130 41.353 -9.223 1 1 969 . 14 1 1 A 102 102 ASP H H 82 8.430 7.188 1.242 1 1 970 . 14 1 1 A 102 102 ASP HA H 82 4.550 4.351 0.199 1 1 973 . 14 1 1 A 102 102 ASP C C 82 176.950 175.922 1.028 1 1 974 . 14 1 1 A 102 102 ASP CA C 82 54.680 57.002 -2.322 1 1 975 . 14 1 1 A 102 102 ASP CB C 82 40.630 29.849 10.781 1 1 976 . 14 1 1 A 102 102 ASP N N 82 118.470 116.043 2.427 1 1 977 . 14 1 1 A 103 103 GLN H H 83 8.230 7.766 0.464 1 1 978 . 14 1 1 A 103 103 GLN HA H 83 4.340 4.894 -0.554 1 1 985 . 14 1 1 A 103 103 GLN C C 83 176.210 176.912 -0.702 1 1 986 . 14 1 1 A 103 103 GLN CA C 83 55.640 57.500 -1.860 1 1 987 . 14 1 1 A 103 103 GLN CB C 83 29.630 40.211 -10.581 1 1 989 . 14 1 1 A 103 103 GLN N N 83 119.650 121.217 -1.567 1 1 991 . 14 1 1 A 104 104 GLU H H 84 8.250 8.307 -0.057 1 1 992 . 14 1 1 A 104 104 GLU HA H 84 4.220 3.982 0.238 1 1 997 . 14 1 1 A 104 104 GLU C C 84 177.100 178.307 -1.207 1 1 998 . 14 1 1 A 104 104 GLU CA C 84 57.220 59.057 -1.837 1 1 999 . 14 1 1 A 104 104 GLU CB C 84 30.320 28.778 1.542 1 1 1001 . 14 1 1 A 104 104 GLU N N 84 121.670 125.212 -3.542 1 1 1002 . 14 1 1 A 105 105 GLY H H 85 8.450 7.335 1.115 1 1 1005 . 14 1 1 A 105 105 GLY C C 85 174.000 177.517 -3.517 1 1 1006 . 14 1 1 A 105 105 GLY CA C 85 45.410 56.207 -10.797 1 1 1007 . 14 1 1 A 105 105 GLY N N 85 109.870 120.427 -10.557 1 1 1008 . 14 1 1 A 106 106 VAL H H 86 7.900 7.534 0.366 1 1 1009 . 14 1 1 A 106 106 VAL HA H 86 4.190 4.496 -0.306 1 1 1017 . 14 1 1 A 106 106 VAL C C 86 176.300 176.646 -0.346 1 1 1018 . 14 1 1 A 106 106 VAL CA C 86 62.190 63.925 -1.735 1 1 1019 . 14 1 1 A 106 106 VAL CB C 86 32.860 69.764 -36.904 1 1 1022 . 14 1 1 A 106 106 VAL N N 86 119.330 111.532 7.798 1 1 1023 . 14 1 1 A 107 107 THR H H 87 8.320 8.259 0.061 1 1 1024 . 14 1 1 A 107 107 THR HA H 87 4.350 4.129 0.221 1 1 1029 . 14 1 1 A 107 107 THR C C 87 174.050 178.123 -4.073 1 1 1030 . 14 1 1 A 107 107 THR CA C 87 61.870 58.903 2.967 1 1 1031 . 14 1 1 A 107 107 THR CB C 87 69.910 29.998 39.912 1 1 1033 . 14 1 1 A 107 107 THR N N 87 119.480 121.774 -2.294 1 1 1034 . 14 1 1 A 108 108 ILE H H 88 8.360 8.590 -0.230 1 1 1035 . 14 1 1 A 108 108 ILE HA H 88 4.470 4.046 0.424 1 1 1045 . 14 1 1 A 108 108 ILE CA C 88 58.410 59.229 -0.819 1 1 1046 . 14 1 1 A 108 108 ILE CB C 88 38.530 29.036 9.494 1 1 1050 . 14 1 1 A 108 108 ILE N N 88 126.140 119.583 6.557 1 1 1051 . 14 1 1 A 109 109 PRO HA H 89 4.380 4.281 0.099 1 1 1058 . 14 1 1 A 109 109 PRO C C 89 176.290 176.786 -0.496 1 1 1059 . 14 1 1 A 109 109 PRO CA C 89 63.210 61.159 2.051 1 1 1060 . 14 1 1 A 109 109 PRO CB C 89 32.220 63.296 -31.076 1 1 1063 . 14 1 1 A 110 110 ASP H H 90 8.370 8.069 0.301 1 1 1064 . 14 1 1 A 110 110 ASP HA H 90 4.580 4.531 0.049 1 1 1067 . 14 1 1 A 110 110 ASP C C 90 176.200 179.142 -2.942 1 1 1068 . 14 1 1 A 110 110 ASP CA C 90 54.290 58.424 -4.134 1 1 1069 . 14 1 1 A 110 110 ASP CB C 90 41.120 31.811 9.309 1 1 1070 . 14 1 1 A 110 110 ASP N N 90 120.470 119.680 0.790 1 1 1071 . 14 1 1 A 111 111 LEU H H 91 8.250 8.490 -0.240 1 1 1072 . 14 1 1 A 111 111 LEU HA H 91 4.370 4.477 -0.107 1 1 1081 . 14 1 1 A 111 111 LEU C C 91 177.040 177.909 -0.869 1 1 1082 . 14 1 1 A 111 111 LEU CA C 91 55.060 59.467 -4.407 1 1 1083 . 14 1 1 A 111 111 LEU CB C 91 42.290 29.221 13.069 1 1 1086 . 14 1 1 A 111 111 LEU N N 91 123.570 117.935 5.635 1 1 1087 . 14 1 1 A 112 112 GLY H H 92 8.080 7.893 0.187 1 1 1090 . 14 1 1 A 112 112 GLY CA C 92 46.190 54.477 -8.287 1 1 246 . 15 1 1 A 42 42 THR H H 22 8.820 7.737 1.083 1 1 247 . 15 1 1 A 42 42 THR HA H 22 4.800 4.882 -0.082 1 1 252 . 15 1 1 A 42 42 THR C C 22 170.950 174.431 -3.481 1 1 253 . 15 1 1 A 42 42 THR CA C 22 60.870 54.847 6.023 1 1 254 . 15 1 1 A 42 42 THR CB C 22 71.510 36.595 34.915 1 1 256 . 15 1 1 A 42 42 THR N N 22 116.000 114.203 1.797 1 1 257 . 15 1 1 A 43 43 VAL H H 23 8.140 8.687 -0.547 1 1 258 . 15 1 1 A 43 43 VAL HA H 23 4.830 4.624 0.206 1 1 266 . 15 1 1 A 43 43 VAL C C 23 176.470 174.063 2.407 1 1 267 . 15 1 1 A 43 43 VAL CA C 23 61.540 60.145 1.395 1 1 268 . 15 1 1 A 43 43 VAL CB C 23 32.270 35.160 -2.890 1 1 271 . 15 1 1 A 43 43 VAL N N 23 125.850 119.258 6.592 1 1 272 . 15 1 1 A 44 44 ILE H H 24 9.350 8.714 0.636 1 1 273 . 15 1 1 A 44 44 ILE HA H 24 4.220 4.266 -0.046 1 1 283 . 15 1 1 A 44 44 ILE C C 24 176.050 174.137 1.913 1 1 284 . 15 1 1 A 44 44 ILE CA C 24 60.880 63.526 -2.646 1 1 285 . 15 1 1 A 44 44 ILE CB C 24 40.830 68.838 -28.008 1 1 289 . 15 1 1 A 44 44 ILE N N 24 128.460 123.814 4.646 1 1 290 . 15 1 1 A 45 45 ASP H H 25 9.450 8.731 0.719 1 1 291 . 15 1 1 A 45 45 ASP HA H 25 4.320 4.955 -0.635 1 1 294 . 15 1 1 A 45 45 ASP C C 25 176.060 176.138 -0.078 1 1 295 . 15 1 1 A 45 45 ASP CA C 25 55.170 54.430 0.740 1 1 296 . 15 1 1 A 45 45 ASP CB C 25 39.870 40.930 -1.060 1 1 297 . 15 1 1 A 45 45 ASP N N 25 129.730 128.609 1.121 1 1 298 . 15 1 1 A 46 46 GLY H H 26 8.360 8.672 -0.312 1 1 301 . 15 1 1 A 46 46 GLY C C 26 173.150 175.392 -2.242 1 1 302 . 15 1 1 A 46 46 GLY CA C 26 46.190 61.770 -15.580 1 1 303 . 15 1 1 A 46 46 GLY N N 26 102.380 125.333 -22.953 1 1 304 . 15 1 1 A 47 47 LYS H H 27 8.000 8.883 -0.883 1 1 305 . 15 1 1 A 47 47 LYS HA H 27 4.780 4.683 0.097 1 1 314 . 15 1 1 A 47 47 LYS C C 27 177.050 177.997 -0.947 1 1 315 . 15 1 1 A 47 47 LYS CA C 27 54.870 55.358 -0.488 1 1 316 . 15 1 1 A 47 47 LYS CB C 27 36.020 31.177 4.843 1 1 320 . 15 1 1 A 47 47 LYS N N 27 121.330 126.923 -5.593 1 1 321 . 15 1 1 A 48 48 VAL H H 28 8.160 8.675 -0.515 1 1 322 . 15 1 1 A 48 48 VAL HA H 28 4.450 4.137 0.313 1 1 330 . 15 1 1 A 48 48 VAL C C 28 174.640 177.866 -3.226 1 1 331 . 15 1 1 A 48 48 VAL CA C 28 60.800 64.446 -3.646 1 1 332 . 15 1 1 A 48 48 VAL CB C 28 32.310 37.706 -5.396 1 1 335 . 15 1 1 A 48 48 VAL N N 28 119.880 124.485 -4.605 1 1 336 . 15 1 1 A 49 49 TYR H H 29 9.130 8.454 0.676 1 1 337 . 15 1 1 A 49 49 TYR HA H 29 5.200 4.140 1.060 1 1 344 . 15 1 1 A 49 49 TYR C C 29 174.540 179.809 -5.269 1 1 345 . 15 1 1 A 49 49 TYR CA C 29 56.640 56.011 0.629 1 1 346 . 15 1 1 A 49 49 TYR CB C 29 43.420 18.402 25.018 1 1 349 . 15 1 1 A 49 49 TYR N N 29 124.890 123.418 1.472 1 1 350 . 15 1 1 A 50 50 ASP H H 30 9.000 8.051 0.949 1 1 351 . 15 1 1 A 50 50 ASP HA H 30 5.330 4.478 0.852 1 1 354 . 15 1 1 A 50 50 ASP C C 30 176.020 178.592 -2.572 1 1 355 . 15 1 1 A 50 50 ASP CA C 30 53.180 57.472 -4.292 1 1 356 . 15 1 1 A 50 50 ASP CB C 30 40.910 40.429 0.481 1 1 357 . 15 1 1 A 50 50 ASP N N 30 119.790 118.725 1.065 1 1 358 . 15 1 1 A 51 51 ILE H H 31 8.700 8.071 0.629 1 1 359 . 15 1 1 A 51 51 ILE HA H 31 3.710 4.488 -0.778 1 1 369 . 15 1 1 A 51 51 ILE C C 31 178.070 178.767 -0.697 1 1 370 . 15 1 1 A 51 51 ILE CA C 31 60.750 58.235 2.515 1 1 371 . 15 1 1 A 51 51 ILE CB C 31 35.230 41.619 -6.389 1 1 375 . 15 1 1 A 51 51 ILE N N 31 125.270 121.875 3.395 1 1 376 . 15 1 1 A 52 52 LYS H H 32 8.030 7.886 0.144 1 1 377 . 15 1 1 A 52 52 LYS HA H 32 4.340 4.002 0.338 1 1 386 . 15 1 1 A 52 52 LYS C C 32 179.540 179.215 0.325 1 1 387 . 15 1 1 A 52 52 LYS CA C 32 59.380 59.737 -0.357 1 1 388 . 15 1 1 A 52 52 LYS CB C 32 31.930 29.584 2.346 1 1 392 . 15 1 1 A 52 52 LYS N N 32 120.520 118.852 1.668 1 1 393 . 15 1 1 A 53 53 ASP H H 33 7.810 8.307 -0.497 1 1 394 . 15 1 1 A 53 53 ASP HA H 33 4.620 4.418 0.202 1 1 397 . 15 1 1 A 53 53 ASP C C 33 177.670 177.719 -0.049 1 1 398 . 15 1 1 A 53 53 ASP CA C 33 56.840 55.947 0.893 1 1 399 . 15 1 1 A 53 53 ASP CB C 33 41.220 37.454 3.766 1 1 400 . 15 1 1 A 53 53 ASP N N 33 120.590 117.477 3.113 1 1 401 . 15 1 1 A 54 54 PHE H H 34 7.660 7.684 -0.024 1 1 402 . 15 1 1 A 54 54 PHE HA H 34 3.100 4.020 -0.920 1 1 410 . 15 1 1 A 54 54 PHE C C 34 176.960 176.739 0.221 1 1 411 . 15 1 1 A 54 54 PHE CA C 34 60.670 59.087 1.583 1 1 412 . 15 1 1 A 54 54 PHE CB C 34 38.870 28.907 9.963 1 1 416 . 15 1 1 A 54 54 PHE N N 34 120.480 119.477 1.003 1 1 417 . 15 1 1 A 55 55 GLN H H 35 8.860 7.782 1.078 1 1 418 . 15 1 1 A 55 55 GLN HA H 35 3.660 4.185 -0.525 1 1 425 . 15 1 1 A 55 55 GLN C C 35 178.510 177.376 1.134 1 1 426 . 15 1 1 A 55 55 GLN CA C 35 58.980 56.691 2.289 1 1 427 . 15 1 1 A 55 55 GLN CB C 35 29.450 38.603 -9.153 1 1 429 . 15 1 1 A 55 55 GLN N N 35 119.060 116.807 2.253 1 1 431 . 15 1 1 A 56 56 THR H H 36 8.150 8.155 -0.005 1 1 432 . 15 1 1 A 56 56 THR HA H 36 3.930 4.447 -0.517 1 1 437 . 15 1 1 A 56 56 THR C C 36 176.550 177.041 -0.491 1 1 438 . 15 1 1 A 56 56 THR CA C 36 66.070 56.656 9.414 1 1 439 . 15 1 1 A 56 56 THR CB C 36 69.030 39.150 29.880 1 1 441 . 15 1 1 A 56 56 THR N N 36 115.130 117.542 -2.412 1 1 442 . 15 1 1 A 57 57 GLN H H 37 8.230 7.619 0.611 1 1 443 . 15 1 1 A 57 57 GLN HA H 37 4.210 4.495 -0.285 1 1 450 . 15 1 1 A 57 57 GLN CA C 37 58.050 54.488 3.562 1 1 451 . 15 1 1 A 57 57 GLN CB C 37 28.290 41.041 -12.751 1 1 453 . 15 1 1 A 57 57 GLN N N 37 119.670 117.027 2.643 1 1 458 . 15 1 1 A 58 58 SER C C 38 174.020 174.979 -0.959 1 1 459 . 15 1 1 A 58 58 SER CA C 38 60.500 45.337 15.163 1 1 461 . 15 1 1 A 59 59 LEU H H 39 7.320 7.314 0.006 1 1 465 . 15 1 1 A 59 59 LEU CA C 39 55.140 45.953 9.187 1 1 467 . 15 1 1 A 59 59 LEU N N 39 120.250 107.648 12.602 1 1 468 . 15 1 1 A 60 60 THR H H 40 7.510 9.048 -1.538 1 1 469 . 15 1 1 A 60 60 THR HA H 40 4.250 4.736 -0.486 1 1 474 . 15 1 1 A 60 60 THR C C 40 174.900 174.611 0.289 1 1 475 . 15 1 1 A 60 60 THR CA C 40 62.320 57.411 4.909 1 1 476 . 15 1 1 A 60 60 THR CB C 40 70.110 39.357 30.753 1 1 478 . 15 1 1 A 60 60 THR N N 40 112.820 126.134 -13.314 1 1 479 . 15 1 1 A 61 61 GLU H H 41 8.510 8.799 -0.289 1 1 480 . 15 1 1 A 61 61 GLU HA H 41 4.100 5.433 -1.333 1 1 485 . 15 1 1 A 61 61 GLU C C 41 176.720 175.317 1.403 1 1 486 . 15 1 1 A 61 61 GLU CA C 41 57.840 56.696 1.144 1 1 487 . 15 1 1 A 61 61 GLU CB C 41 29.840 31.702 -1.862 1 1 489 . 15 1 1 A 61 61 GLU N N 41 123.410 127.309 -3.899 1 1 490 . 15 1 1 A 62 62 ASN H H 42 8.600 8.655 -0.055 1 1 491 . 15 1 1 A 62 62 ASN HA H 42 4.580 4.833 -0.253 1 1 496 . 15 1 1 A 62 62 ASN C C 42 174.940 172.478 2.462 1 1 497 . 15 1 1 A 62 62 ASN CA C 42 53.760 60.165 -6.405 1 1 498 . 15 1 1 A 62 62 ASN CB C 42 38.130 71.823 -33.693 1 1 499 . 15 1 1 A 62 62 ASN N N 42 117.760 114.749 3.011 1 1 501 . 15 1 1 A 63 63 SER H H 43 7.800 8.686 -0.886 1 1 502 . 15 1 1 A 63 63 SER HA H 43 4.400 4.839 -0.439 1 1 505 . 15 1 1 A 63 63 SER C C 43 177.320 175.057 2.263 1 1 506 . 15 1 1 A 63 63 SER CA C 43 58.730 61.844 -3.114 1 1 507 . 15 1 1 A 63 63 SER CB C 43 64.210 31.741 32.469 1 1 508 . 15 1 1 A 63 63 SER N N 43 114.610 127.143 -12.533 1 1 509 . 15 1 1 A 64 64 ILE H H 44 8.710 8.948 -0.238 1 1 510 . 15 1 1 A 64 64 ILE HA H 44 4.180 4.551 -0.371 1 1 520 . 15 1 1 A 64 64 ILE C C 44 176.550 176.081 0.469 1 1 521 . 15 1 1 A 64 64 ILE CA C 44 63.280 60.413 2.867 1 1 522 . 15 1 1 A 64 64 ILE CB C 44 38.110 39.593 -1.483 1 1 526 . 15 1 1 A 64 64 ILE N N 44 125.240 127.254 -2.014 1 1 527 . 15 1 1 A 65 65 LEU H H 45 8.160 9.398 -1.238 1 1 528 . 15 1 1 A 65 65 LEU HA H 45 4.450 4.296 0.154 1 1 538 . 15 1 1 A 65 65 LEU C C 45 177.800 175.360 2.440 1 1 539 . 15 1 1 A 65 65 LEU CA C 45 54.820 55.140 -0.320 1 1 540 . 15 1 1 A 65 65 LEU CB C 45 41.790 39.779 2.011 1 1 544 . 15 1 1 A 65 65 LEU N N 45 118.980 128.027 -9.047 1 1 545 . 15 1 1 A 66 66 ALA H H 46 7.700 8.607 -0.907 1 1 550 . 15 1 1 A 66 66 ALA C C 46 179.870 173.666 6.204 1 1 551 . 15 1 1 A 66 66 ALA CA C 46 54.980 45.401 9.579 1 1 553 . 15 1 1 A 66 66 ALA N N 46 122.830 104.082 18.748 1 1 554 . 15 1 1 A 67 67 GLN H H 47 7.920 7.796 0.124 1 1 555 . 15 1 1 A 67 67 GLN HA H 47 4.110 4.714 -0.604 1 1 562 . 15 1 1 A 67 67 GLN C C 47 175.990 175.022 0.968 1 1 563 . 15 1 1 A 67 67 GLN CA C 47 57.170 54.137 3.033 1 1 564 . 15 1 1 A 67 67 GLN CB C 47 28.180 35.008 -6.828 1 1 566 . 15 1 1 A 67 67 GLN N N 47 115.030 120.313 -5.283 1 1 568 . 15 1 1 A 68 68 PHE H H 48 7.790 8.408 -0.618 1 1 569 . 15 1 1 A 68 68 PHE HA H 48 4.690 4.973 -0.283 1 1 576 . 15 1 1 A 68 68 PHE C C 48 175.620 174.121 1.499 1 1 577 . 15 1 1 A 68 68 PHE CA C 48 57.220 60.698 -3.478 1 1 578 . 15 1 1 A 68 68 PHE CB C 48 39.320 32.790 6.530 1 1 581 . 15 1 1 A 68 68 PHE N N 48 118.560 121.614 -3.054 1 1 582 . 15 1 1 A 69 69 ALA H H 49 7.600 9.030 -1.430 1 1 583 . 15 1 1 A 69 69 ALA HA H 49 4.120 5.350 -1.230 1 1 587 . 15 1 1 A 69 69 ALA C C 49 178.250 174.228 4.022 1 1 588 . 15 1 1 A 69 69 ALA CA C 49 53.920 55.980 -2.060 1 1 589 . 15 1 1 A 69 69 ALA CB C 49 18.660 42.931 -24.271 1 1 590 . 15 1 1 A 69 69 ALA N N 49 123.340 125.962 -2.622 1 1 591 . 15 1 1 A 70 70 GLY H H 50 8.500 8.622 -0.122 1 1 594 . 15 1 1 A 70 70 GLY C C 50 174.070 176.329 -2.259 1 1 595 . 15 1 1 A 70 70 GLY CA C 50 45.390 53.217 -7.827 1 1 596 . 15 1 1 A 70 70 GLY N N 50 108.770 123.193 -14.423 1 1 597 . 15 1 1 A 71 71 GLU H H 51 7.800 8.928 -1.128 1 1 598 . 15 1 1 A 71 71 GLU HA H 51 4.430 3.882 0.548 1 1 603 . 15 1 1 A 71 71 GLU C C 51 176.220 178.124 -1.904 1 1 604 . 15 1 1 A 71 71 GLU CA C 51 55.430 64.624 -9.194 1 1 605 . 15 1 1 A 71 71 GLU CB C 51 30.980 37.762 -6.782 1 1 607 . 15 1 1 A 71 71 GLU N N 51 119.390 126.855 -7.465 1 1 608 . 15 1 1 A 72 72 ASP H H 52 8.830 7.792 1.038 1 1 609 . 15 1 1 A 72 72 ASP HA H 52 4.850 4.002 0.848 1 1 612 . 15 1 1 A 72 72 ASP CA C 52 52.110 59.748 -7.638 1 1 613 . 15 1 1 A 72 72 ASP CB C 52 42.070 32.264 9.806 1 1 614 . 15 1 1 A 72 72 ASP N N 52 123.830 122.690 1.140 1 1 615 . 15 1 1 A 73 73 PRO HA H 53 4.410 4.397 0.013 1 1 622 . 15 1 1 A 73 73 PRO C C 53 177.290 178.650 -1.360 1 1 623 . 15 1 1 A 73 73 PRO CA C 53 64.940 57.374 7.566 1 1 624 . 15 1 1 A 73 73 PRO CB C 53 32.130 40.338 -8.208 1 1 627 . 15 1 1 A 74 74 VAL H H 54 7.950 8.033 -0.083 1 1 628 . 15 1 1 A 74 74 VAL HA H 54 3.360 2.700 0.660 1 1 636 . 15 1 1 A 74 74 VAL C C 54 177.540 177.279 0.261 1 1 637 . 15 1 1 A 74 74 VAL CA C 54 66.820 61.032 5.788 1 1 638 . 15 1 1 A 74 74 VAL CB C 54 31.310 38.764 -7.454 1 1 641 . 15 1 1 A 74 74 VAL N N 54 118.670 121.958 -3.288 1 1 642 . 15 1 1 A 75 75 VAL H H 55 7.090 8.254 -1.164 1 1 643 . 15 1 1 A 75 75 VAL HA H 55 3.620 4.128 -0.508 1 1 651 . 15 1 1 A 75 75 VAL C C 55 175.050 178.533 -3.483 1 1 652 . 15 1 1 A 75 75 VAL CA C 55 65.440 58.734 6.706 1 1 653 . 15 1 1 A 75 75 VAL CB C 55 32.210 28.464 3.746 1 1 656 . 15 1 1 A 75 75 VAL N N 55 120.340 117.357 2.983 1 1 657 . 15 1 1 A 76 76 ALA H H 56 8.050 7.561 0.489 1 1 658 . 15 1 1 A 76 76 ALA HA H 56 3.870 3.861 0.009 1 1 662 . 15 1 1 A 76 76 ALA C C 56 178.160 176.933 1.227 1 1 663 . 15 1 1 A 76 76 ALA CA C 56 54.840 67.131 -12.291 1 1 664 . 15 1 1 A 76 76 ALA CB C 56 19.250 68.858 -49.608 1 1 665 . 15 1 1 A 76 76 ALA N N 56 121.910 117.631 4.279 1 1 666 . 15 1 1 A 77 77 LEU H H 57 7.720 7.455 0.265 1 1 667 . 15 1 1 A 77 77 LEU HA H 57 3.170 4.139 -0.969 1 1 677 . 15 1 1 A 77 77 LEU C C 57 178.010 178.128 -0.118 1 1 678 . 15 1 1 A 77 77 LEU CA C 57 58.260 58.295 -0.035 1 1 679 . 15 1 1 A 77 77 LEU CB C 57 39.970 28.027 11.943 1 1 683 . 15 1 1 A 77 77 LEU N N 57 120.030 120.086 -0.056 1 1 684 . 15 1 1 A 78 78 GLU H H 58 7.840 8.007 -0.167 1 1 685 . 15 1 1 A 78 78 GLU HA H 58 3.510 4.337 -0.827 1 1 690 . 15 1 1 A 78 78 GLU C C 58 179.140 175.023 4.117 1 1 691 . 15 1 1 A 78 78 GLU CA C 58 60.290 60.055 0.235 1 1 692 . 15 1 1 A 78 78 GLU CB C 58 29.420 63.397 -33.977 1 1 694 . 15 1 1 A 78 78 GLU N N 58 116.990 115.731 1.259 1 1 695 . 15 1 1 A 79 79 ALA H H 59 7.710 7.680 0.030 1 1 696 . 15 1 1 A 79 79 ALA HA H 59 3.940 4.385 -0.445 1 1 700 . 15 1 1 A 79 79 ALA C C 59 180.360 175.898 4.462 1 1 701 . 15 1 1 A 79 79 ALA CA C 59 54.790 54.509 0.281 1 1 702 . 15 1 1 A 79 79 ALA CB C 59 17.930 41.800 -23.870 1 1 703 . 15 1 1 A 79 79 ALA N N 59 120.690 119.567 1.123 1 1 704 . 15 1 1 A 80 80 ALA H H 60 8.220 7.496 0.724 1 1 705 . 15 1 1 A 80 80 ALA HA H 60 3.970 4.714 -0.744 1 1 709 . 15 1 1 A 80 80 ALA C C 60 180.570 174.367 6.203 1 1 710 . 15 1 1 A 80 80 ALA CA C 60 54.160 59.573 -5.413 1 1 711 . 15 1 1 A 80 80 ALA CB C 60 18.830 71.116 -52.286 1 1 712 . 15 1 1 A 80 80 ALA N N 60 122.230 114.376 7.854 1 1 713 . 15 1 1 A 81 81 LEU H H 61 7.800 8.973 -1.173 1 1 714 . 15 1 1 A 81 81 LEU HA H 61 3.890 4.035 -0.145 1 1 724 . 15 1 1 A 81 81 LEU C C 61 177.590 176.742 0.848 1 1 725 . 15 1 1 A 81 81 LEU CA C 61 56.650 59.067 -2.417 1 1 726 . 15 1 1 A 81 81 LEU CB C 61 42.630 29.992 12.638 1 1 730 . 15 1 1 A 81 81 LEU N N 61 116.150 124.813 -8.663 1 1 731 . 15 1 1 A 82 82 GLN H H 62 7.450 7.947 -0.497 1 1 732 . 15 1 1 A 82 82 GLN HA H 62 4.250 4.882 -0.632 1 1 739 . 15 1 1 A 82 82 GLN C C 62 176.120 174.169 1.951 1 1 740 . 15 1 1 A 82 82 GLN CA C 62 55.880 52.611 3.269 1 1 741 . 15 1 1 A 82 82 GLN CB C 62 29.330 37.076 -7.746 1 1 743 . 15 1 1 A 82 82 GLN N N 62 115.740 117.279 -1.539 1 1 745 . 15 1 1 A 83 83 PHE H H 63 7.300 8.280 -0.980 1 1 746 . 15 1 1 A 83 83 PHE HA H 63 4.900 5.159 -0.259 1 1 753 . 15 1 1 A 83 83 PHE C C 63 176.470 174.629 1.841 1 1 754 . 15 1 1 A 83 83 PHE CA C 63 56.260 56.406 -0.146 1 1 755 . 15 1 1 A 83 83 PHE CB C 63 39.000 65.509 -26.509 1 1 758 . 15 1 1 A 83 83 PHE N N 63 120.420 118.942 1.478 1 1 759 . 15 1 1 A 84 84 GLU H H 64 9.090 8.626 0.464 1 1 760 . 15 1 1 A 84 84 GLU HA H 64 3.850 3.929 -0.079 1 1 765 . 15 1 1 A 84 84 GLU C C 64 178.010 176.527 1.483 1 1 766 . 15 1 1 A 84 84 GLU CA C 64 59.910 63.738 -3.828 1 1 767 . 15 1 1 A 84 84 GLU CB C 64 29.640 37.835 -8.195 1 1 769 . 15 1 1 A 84 84 GLU N N 64 126.260 123.574 2.686 1 1 770 . 15 1 1 A 85 85 ASP H H 65 7.670 7.631 0.039 1 1 771 . 15 1 1 A 85 85 ASP HA H 65 4.480 4.798 -0.318 1 1 774 . 15 1 1 A 85 85 ASP C C 65 177.530 178.034 -0.504 1 1 775 . 15 1 1 A 85 85 ASP CA C 65 56.290 55.129 1.161 1 1 776 . 15 1 1 A 85 85 ASP CB C 65 40.480 42.151 -1.671 1 1 777 . 15 1 1 A 85 85 ASP N N 65 114.070 121.707 -7.637 1 1 778 . 15 1 1 A 86 86 THR H H 66 7.560 7.639 -0.079 1 1 779 . 15 1 1 A 86 86 THR HA H 66 4.530 4.053 0.477 1 1 784 . 15 1 1 A 86 86 THR C C 66 176.820 180.168 -3.348 1 1 785 . 15 1 1 A 86 86 THR CA C 66 62.380 54.950 7.430 1 1 786 . 15 1 1 A 86 86 THR CB C 66 70.200 18.024 52.176 1 1 788 . 15 1 1 A 86 86 THR N N 66 106.640 122.652 -16.012 1 1 789 . 15 1 1 A 87 87 ARG H H 67 8.100 8.483 -0.383 1 1 790 . 15 1 1 A 87 87 ARG HA H 67 4.020 4.086 -0.066 1 1 797 . 15 1 1 A 87 87 ARG C C 67 178.760 176.412 2.348 1 1 798 . 15 1 1 A 87 87 ARG CA C 67 61.140 57.523 3.617 1 1 799 . 15 1 1 A 87 87 ARG CB C 67 30.220 27.255 2.965 1 1 802 . 15 1 1 A 87 87 ARG N N 67 124.220 115.885 8.335 1 1 803 . 15 1 1 A 88 88 GLU H H 68 8.790 7.495 1.295 1 1 804 . 15 1 1 A 88 88 GLU HA H 68 4.090 4.557 -0.467 1 1 809 . 15 1 1 A 88 88 GLU C C 68 179.320 176.260 3.060 1 1 810 . 15 1 1 A 88 88 GLU CA C 68 59.150 57.735 1.415 1 1 811 . 15 1 1 A 88 88 GLU CB C 68 28.930 38.757 -9.827 1 1 813 . 15 1 1 A 88 88 GLU N N 68 118.790 117.791 0.999 1 1 814 . 15 1 1 A 89 89 SER H H 69 8.140 7.563 0.577 1 1 815 . 15 1 1 A 89 89 SER HA H 69 4.390 4.131 0.259 1 1 818 . 15 1 1 A 89 89 SER C C 69 176.100 179.116 -3.016 1 1 819 . 15 1 1 A 89 89 SER CA C 69 61.000 54.933 6.067 1 1 820 . 15 1 1 A 89 89 SER CB C 69 63.190 18.428 44.762 1 1 821 . 15 1 1 A 89 89 SER N N 69 115.570 123.395 -7.825 1 1 822 . 15 1 1 A 90 90 MET H H 70 7.690 8.180 -0.490 1 1 831 . 15 1 1 A 90 90 MET C C 70 177.990 173.512 4.478 1 1 832 . 15 1 1 A 90 90 MET CA C 70 55.140 45.334 9.806 1 1 836 . 15 1 1 A 90 90 MET N N 70 118.160 105.876 12.284 1 1 837 . 15 1 1 A 91 91 HIS H H 71 7.740 7.604 0.136 1 1 838 . 15 1 1 A 91 91 HIS HA H 71 4.430 5.107 -0.677 1 1 842 . 15 1 1 A 91 91 HIS C C 71 177.460 174.689 2.771 1 1 843 . 15 1 1 A 91 91 HIS CA C 71 58.830 54.441 4.389 1 1 844 . 15 1 1 A 91 91 HIS CB C 71 29.680 33.319 -3.639 1 1 846 . 15 1 1 A 91 91 HIS N N 71 118.990 120.868 -1.878 1 1 847 . 15 1 1 A 92 92 ALA H H 72 7.230 8.709 -1.479 1 1 848 . 15 1 1 A 92 92 ALA HA H 72 3.900 4.709 -0.809 1 1 852 . 15 1 1 A 92 92 ALA C C 72 177.850 176.620 1.230 1 1 853 . 15 1 1 A 92 92 ALA CA C 72 53.840 52.120 1.720 1 1 854 . 15 1 1 A 92 92 ALA CB C 72 18.250 41.874 -23.624 1 1 855 . 15 1 1 A 92 92 ALA N N 72 120.170 126.647 -6.477 1 1 857 . 15 1 1 A 93 93 PHE HA H 73 4.970 4.448 0.522 1 1 865 . 15 1 1 A 93 93 PHE C C 73 174.000 178.658 -4.658 1 1 866 . 15 1 1 A 93 93 PHE CA C 73 56.420 65.105 -8.685 1 1 867 . 15 1 1 A 93 93 PHE CB C 73 39.050 32.013 7.037 1 1 871 . 15 1 1 A 93 93 PHE N N 73 113.910 141.537 -27.627 1 1 872 . 15 1 1 A 94 94 CYS H H 74 7.690 7.074 0.616 1 1 873 . 15 1 1 A 94 94 CYS HA H 74 4.120 3.567 0.553 1 1 876 . 15 1 1 A 94 94 CYS C C 74 174.900 177.913 -3.013 1 1 877 . 15 1 1 A 94 94 CYS CA C 74 58.200 65.227 -7.027 1 1 878 . 15 1 1 A 94 94 CYS CB C 74 27.320 31.638 -4.318 1 1 879 . 15 1 1 A 94 94 CYS N N 74 121.190 116.516 4.674 1 1 880 . 15 1 1 A 95 95 VAL H H 75 8.770 7.928 0.842 1 1 881 . 15 1 1 A 95 95 VAL HA H 75 3.820 3.657 0.163 1 1 889 . 15 1 1 A 95 95 VAL C C 75 175.640 177.804 -2.164 1 1 890 . 15 1 1 A 95 95 VAL CA C 75 62.250 65.993 -3.743 1 1 891 . 15 1 1 A 95 95 VAL CB C 75 32.280 31.237 1.043 1 1 894 . 15 1 1 A 95 95 VAL N N 75 128.310 120.407 7.903 1 1 895 . 15 1 1 A 96 96 GLY H H 76 7.130 8.099 -0.969 1 1 898 . 15 1 1 A 96 96 GLY C C 76 171.220 179.758 -8.538 1 1 899 . 15 1 1 A 96 96 GLY CA C 76 44.940 55.103 -10.163 1 1 900 . 15 1 1 A 96 96 GLY N N 76 105.330 121.947 -16.617 1 1 901 . 15 1 1 A 97 97 GLN H H 77 8.590 7.567 1.023 1 1 902 . 15 1 1 A 97 97 GLN HA H 77 4.460 3.750 0.710 1 1 909 . 15 1 1 A 97 97 GLN C C 77 174.070 178.582 -4.512 1 1 910 . 15 1 1 A 97 97 GLN CA C 77 54.860 57.267 -2.407 1 1 911 . 15 1 1 A 97 97 GLN CB C 77 30.820 41.120 -10.300 1 1 913 . 15 1 1 A 97 97 GLN N N 77 120.500 120.418 0.082 1 1 915 . 15 1 1 A 98 98 TYR H H 78 8.440 8.069 0.371 1 1 916 . 15 1 1 A 98 98 TYR HA H 78 4.960 3.846 1.114 1 1 923 . 15 1 1 A 98 98 TYR C C 78 174.460 179.014 -4.554 1 1 924 . 15 1 1 A 98 98 TYR CA C 78 56.660 59.008 -2.348 1 1 925 . 15 1 1 A 98 98 TYR CB C 78 40.450 29.560 10.890 1 1 928 . 15 1 1 A 98 98 TYR N N 78 125.460 118.643 6.817 1 1 929 . 15 1 1 A 99 99 LEU H H 79 8.100 7.734 0.366 1 1 930 . 15 1 1 A 99 99 LEU HA H 79 4.360 4.115 0.245 1 1 940 . 15 1 1 A 99 99 LEU C C 79 173.790 180.520 -6.730 1 1 941 . 15 1 1 A 99 99 LEU CA C 79 53.110 54.794 -1.684 1 1 942 . 15 1 1 A 99 99 LEU CB C 79 43.200 18.234 24.966 1 1 946 . 15 1 1 A 99 99 LEU N N 79 131.670 122.826 8.844 1 1 947 . 15 1 1 A 100 100 GLU H H 80 8.160 7.480 0.680 1 1 948 . 15 1 1 A 100 100 GLU HA H 80 4.140 4.370 -0.230 1 1 953 . 15 1 1 A 100 100 GLU CA C 80 54.540 54.329 0.211 1 1 954 . 15 1 1 A 100 100 GLU CB C 80 29.270 18.259 11.011 1 1 956 . 15 1 1 A 100 100 GLU N N 80 125.120 120.212 4.908 1 1 957 . 15 1 1 A 101 101 PRO HA H 81 4.380 4.020 0.360 1 1 964 . 15 1 1 A 101 101 PRO C C 81 177.370 178.671 -1.301 1 1 965 . 15 1 1 A 101 101 PRO CA C 81 64.050 57.439 6.611 1 1 966 . 15 1 1 A 101 101 PRO CB C 81 32.130 41.445 -9.315 1 1 969 . 15 1 1 A 102 102 ASP H H 82 8.430 7.431 0.999 1 1 970 . 15 1 1 A 102 102 ASP HA H 82 4.550 4.127 0.423 1 1 973 . 15 1 1 A 102 102 ASP C C 82 176.950 176.188 0.762 1 1 974 . 15 1 1 A 102 102 ASP CA C 82 54.680 57.952 -3.272 1 1 975 . 15 1 1 A 102 102 ASP CB C 82 40.630 28.879 11.751 1 1 976 . 15 1 1 A 102 102 ASP N N 82 118.470 117.933 0.537 1 1 977 . 15 1 1 A 103 103 GLN H H 83 8.230 7.665 0.565 1 1 978 . 15 1 1 A 103 103 GLN HA H 83 4.340 4.905 -0.565 1 1 985 . 15 1 1 A 103 103 GLN C C 83 176.210 176.306 -0.096 1 1 986 . 15 1 1 A 103 103 GLN CA C 83 55.640 56.931 -1.291 1 1 987 . 15 1 1 A 103 103 GLN CB C 83 29.630 39.299 -9.669 1 1 989 . 15 1 1 A 103 103 GLN N N 83 119.650 120.983 -1.333 1 1 991 . 15 1 1 A 104 104 GLU H H 84 8.250 8.830 -0.580 1 1 992 . 15 1 1 A 104 104 GLU HA H 84 4.220 4.035 0.185 1 1 997 . 15 1 1 A 104 104 GLU C C 84 177.100 177.271 -0.171 1 1 998 . 15 1 1 A 104 104 GLU CA C 84 57.220 58.731 -1.511 1 1 999 . 15 1 1 A 104 104 GLU CB C 84 30.320 29.012 1.308 1 1 1001 . 15 1 1 A 104 104 GLU N N 84 121.670 126.875 -5.205 1 1 1002 . 15 1 1 A 105 105 GLY H H 85 8.450 7.161 1.289 1 1 1005 . 15 1 1 A 105 105 GLY C C 85 174.000 177.132 -3.132 1 1 1006 . 15 1 1 A 105 105 GLY CA C 85 45.410 55.944 -10.534 1 1 1007 . 15 1 1 A 105 105 GLY N N 85 109.870 118.898 -9.028 1 1 1008 . 15 1 1 A 106 106 VAL H H 86 7.900 6.979 0.921 1 1 1009 . 15 1 1 A 106 106 VAL HA H 86 4.190 4.413 -0.223 1 1 1017 . 15 1 1 A 106 106 VAL C C 86 176.300 176.320 -0.020 1 1 1018 . 15 1 1 A 106 106 VAL CA C 86 62.190 62.906 -0.716 1 1 1019 . 15 1 1 A 106 106 VAL CB C 86 32.860 69.930 -37.070 1 1 1022 . 15 1 1 A 106 106 VAL N N 86 119.330 108.632 10.698 1 1 1023 . 15 1 1 A 107 107 THR H H 87 8.320 7.874 0.446 1 1 1024 . 15 1 1 A 107 107 THR HA H 87 4.350 3.963 0.387 1 1 1029 . 15 1 1 A 107 107 THR C C 87 174.050 177.425 -3.375 1 1 1030 . 15 1 1 A 107 107 THR CA C 87 61.870 58.534 3.336 1 1 1031 . 15 1 1 A 107 107 THR CB C 87 69.910 29.481 40.429 1 1 1033 . 15 1 1 A 107 107 THR N N 87 119.480 122.107 -2.627 1 1 1034 . 15 1 1 A 108 108 ILE H H 88 8.360 8.236 0.124 1 1 1035 . 15 1 1 A 108 108 ILE HA H 88 4.470 3.861 0.609 1 1 1045 . 15 1 1 A 108 108 ILE CA C 88 58.410 59.104 -0.694 1 1 1046 . 15 1 1 A 108 108 ILE CB C 88 38.530 29.181 9.349 1 1 1050 . 15 1 1 A 108 108 ILE N N 88 126.140 120.010 6.130 1 1 1051 . 15 1 1 A 109 109 PRO HA H 89 4.380 4.001 0.379 1 1 1058 . 15 1 1 A 109 109 PRO C C 89 176.290 175.539 0.751 1 1 1059 . 15 1 1 A 109 109 PRO CA C 89 63.210 60.829 2.381 1 1 1060 . 15 1 1 A 109 109 PRO CB C 89 32.220 63.146 -30.926 1 1 1063 . 15 1 1 A 110 110 ASP H H 90 8.370 7.840 0.530 1 1 1064 . 15 1 1 A 110 110 ASP HA H 90 4.580 4.578 0.002 1 1 1067 . 15 1 1 A 110 110 ASP C C 90 176.200 177.875 -1.675 1 1 1068 . 15 1 1 A 110 110 ASP CA C 90 54.290 57.014 -2.724 1 1 1069 . 15 1 1 A 110 110 ASP CB C 90 41.120 31.725 9.395 1 1 1070 . 15 1 1 A 110 110 ASP N N 90 120.470 119.539 0.931 1 1 1071 . 15 1 1 A 111 111 LEU H H 91 8.250 7.649 0.601 1 1 1072 . 15 1 1 A 111 111 LEU HA H 91 4.370 4.453 -0.083 1 1 1081 . 15 1 1 A 111 111 LEU C C 91 177.040 176.891 0.149 1 1 1082 . 15 1 1 A 111 111 LEU CA C 91 55.060 59.297 -4.237 1 1 1083 . 15 1 1 A 111 111 LEU CB C 91 42.290 29.256 13.034 1 1 1086 . 15 1 1 A 111 111 LEU N N 91 123.570 117.098 6.472 1 1 1087 . 15 1 1 A 112 112 GLY H H 92 8.080 7.313 0.767 1 1 1090 . 15 1 1 A 112 112 GLY CA C 92 46.190 54.198 -8.008 1 1 246 . 16 1 1 A 42 42 THR H H 22 8.820 7.628 1.192 1 1 247 . 16 1 1 A 42 42 THR HA H 22 4.800 4.409 0.391 1 1 252 . 16 1 1 A 42 42 THR C C 22 170.950 175.495 -4.545 1 1 253 . 16 1 1 A 42 42 THR CA C 22 60.870 56.358 4.512 1 1 254 . 16 1 1 A 42 42 THR CB C 22 71.510 32.699 38.811 1 1 256 . 16 1 1 A 42 42 THR N N 22 116.000 116.386 -0.386 1 1 257 . 16 1 1 A 43 43 VAL H H 23 8.140 8.550 -0.410 1 1 258 . 16 1 1 A 43 43 VAL HA H 23 4.830 4.664 0.166 1 1 266 . 16 1 1 A 43 43 VAL C C 23 176.470 174.588 1.882 1 1 267 . 16 1 1 A 43 43 VAL CA C 23 61.540 60.182 1.358 1 1 268 . 16 1 1 A 43 43 VAL CB C 23 32.270 33.364 -1.094 1 1 271 . 16 1 1 A 43 43 VAL N N 23 125.850 123.396 2.454 1 1 272 . 16 1 1 A 44 44 ILE H H 24 9.350 8.844 0.506 1 1 273 . 16 1 1 A 44 44 ILE HA H 24 4.220 4.299 -0.079 1 1 283 . 16 1 1 A 44 44 ILE C C 24 176.050 174.177 1.873 1 1 284 . 16 1 1 A 44 44 ILE CA C 24 60.880 63.274 -2.394 1 1 285 . 16 1 1 A 44 44 ILE CB C 24 40.830 68.883 -28.053 1 1 289 . 16 1 1 A 44 44 ILE N N 24 128.460 124.835 3.625 1 1 290 . 16 1 1 A 45 45 ASP H H 25 9.450 9.009 0.441 1 1 291 . 16 1 1 A 45 45 ASP HA H 25 4.320 4.797 -0.477 1 1 294 . 16 1 1 A 45 45 ASP C C 25 176.060 175.872 0.188 1 1 295 . 16 1 1 A 45 45 ASP CA C 25 55.170 53.696 1.474 1 1 296 . 16 1 1 A 45 45 ASP CB C 25 39.870 41.317 -1.447 1 1 297 . 16 1 1 A 45 45 ASP N N 25 129.730 128.461 1.269 1 1 298 . 16 1 1 A 46 46 GLY H H 26 8.360 9.012 -0.652 1 1 301 . 16 1 1 A 46 46 GLY C C 26 173.150 176.059 -2.909 1 1 302 . 16 1 1 A 46 46 GLY CA C 26 46.190 61.798 -15.608 1 1 303 . 16 1 1 A 46 46 GLY N N 26 102.380 125.490 -23.110 1 1 304 . 16 1 1 A 47 47 LYS H H 27 8.000 8.821 -0.821 1 1 305 . 16 1 1 A 47 47 LYS HA H 27 4.780 4.430 0.350 1 1 314 . 16 1 1 A 47 47 LYS C C 27 177.050 176.446 0.604 1 1 315 . 16 1 1 A 47 47 LYS CA C 27 54.870 55.943 -1.073 1 1 316 . 16 1 1 A 47 47 LYS CB C 27 36.020 30.964 5.056 1 1 320 . 16 1 1 A 47 47 LYS N N 27 121.330 127.996 -6.666 1 1 321 . 16 1 1 A 48 48 VAL H H 28 8.160 8.562 -0.402 1 1 322 . 16 1 1 A 48 48 VAL HA H 28 4.450 4.188 0.262 1 1 330 . 16 1 1 A 48 48 VAL C C 28 174.640 177.776 -3.136 1 1 331 . 16 1 1 A 48 48 VAL CA C 28 60.800 64.659 -3.859 1 1 332 . 16 1 1 A 48 48 VAL CB C 28 32.310 37.570 -5.260 1 1 335 . 16 1 1 A 48 48 VAL N N 28 119.880 120.895 -1.015 1 1 336 . 16 1 1 A 49 49 TYR H H 29 9.130 8.422 0.708 1 1 337 . 16 1 1 A 49 49 TYR HA H 29 5.200 4.030 1.170 1 1 344 . 16 1 1 A 49 49 TYR C C 29 174.540 179.426 -4.886 1 1 345 . 16 1 1 A 49 49 TYR CA C 29 56.640 55.160 1.480 1 1 346 . 16 1 1 A 49 49 TYR CB C 29 43.420 18.084 25.336 1 1 349 . 16 1 1 A 49 49 TYR N N 29 124.890 123.122 1.768 1 1 350 . 16 1 1 A 50 50 ASP H H 30 9.000 7.988 1.012 1 1 351 . 16 1 1 A 50 50 ASP HA H 30 5.330 4.404 0.926 1 1 354 . 16 1 1 A 50 50 ASP C C 30 176.020 178.417 -2.397 1 1 355 . 16 1 1 A 50 50 ASP CA C 30 53.180 57.058 -3.878 1 1 356 . 16 1 1 A 50 50 ASP CB C 30 40.910 40.962 -0.052 1 1 357 . 16 1 1 A 50 50 ASP N N 30 119.790 118.254 1.536 1 1 358 . 16 1 1 A 51 51 ILE H H 31 8.700 8.096 0.604 1 1 359 . 16 1 1 A 51 51 ILE HA H 31 3.710 4.385 -0.675 1 1 369 . 16 1 1 A 51 51 ILE C C 31 178.070 178.791 -0.721 1 1 370 . 16 1 1 A 51 51 ILE CA C 31 60.750 58.578 2.172 1 1 371 . 16 1 1 A 51 51 ILE CB C 31 35.230 41.914 -6.684 1 1 375 . 16 1 1 A 51 51 ILE N N 31 125.270 120.898 4.372 1 1 376 . 16 1 1 A 52 52 LYS H H 32 8.030 8.300 -0.270 1 1 377 . 16 1 1 A 52 52 LYS HA H 32 4.340 3.934 0.406 1 1 386 . 16 1 1 A 52 52 LYS C C 32 179.540 179.359 0.181 1 1 387 . 16 1 1 A 52 52 LYS CA C 32 59.380 59.901 -0.521 1 1 388 . 16 1 1 A 52 52 LYS CB C 32 31.930 29.149 2.781 1 1 392 . 16 1 1 A 52 52 LYS N N 32 120.520 118.137 2.383 1 1 393 . 16 1 1 A 53 53 ASP H H 33 7.810 8.214 -0.404 1 1 394 . 16 1 1 A 53 53 ASP HA H 33 4.620 4.417 0.203 1 1 397 . 16 1 1 A 53 53 ASP C C 33 177.670 177.848 -0.178 1 1 398 . 16 1 1 A 53 53 ASP CA C 33 56.840 56.223 0.617 1 1 399 . 16 1 1 A 53 53 ASP CB C 33 41.220 38.154 3.066 1 1 400 . 16 1 1 A 53 53 ASP N N 33 120.590 118.339 2.251 1 1 401 . 16 1 1 A 54 54 PHE H H 34 7.660 7.830 -0.170 1 1 402 . 16 1 1 A 54 54 PHE HA H 34 3.100 4.073 -0.973 1 1 410 . 16 1 1 A 54 54 PHE C C 34 176.960 176.646 0.314 1 1 411 . 16 1 1 A 54 54 PHE CA C 34 60.670 59.373 1.297 1 1 412 . 16 1 1 A 54 54 PHE CB C 34 38.870 29.262 9.608 1 1 416 . 16 1 1 A 54 54 PHE N N 34 120.480 120.519 -0.039 1 1 417 . 16 1 1 A 55 55 GLN H H 35 8.860 8.177 0.683 1 1 418 . 16 1 1 A 55 55 GLN HA H 35 3.660 4.417 -0.757 1 1 425 . 16 1 1 A 55 55 GLN C C 35 178.510 177.407 1.103 1 1 426 . 16 1 1 A 55 55 GLN CA C 35 58.980 56.538 2.442 1 1 427 . 16 1 1 A 55 55 GLN CB C 35 29.450 38.701 -9.251 1 1 429 . 16 1 1 A 55 55 GLN N N 35 119.060 116.710 2.350 1 1 431 . 16 1 1 A 56 56 THR H H 36 8.150 8.033 0.117 1 1 432 . 16 1 1 A 56 56 THR HA H 36 3.930 4.602 -0.672 1 1 437 . 16 1 1 A 56 56 THR C C 36 176.550 175.758 0.792 1 1 438 . 16 1 1 A 56 56 THR CA C 36 66.070 54.483 11.587 1 1 439 . 16 1 1 A 56 56 THR CB C 36 69.030 38.244 30.786 1 1 441 . 16 1 1 A 56 56 THR N N 36 115.130 116.534 -1.404 1 1 442 . 16 1 1 A 57 57 GLN H H 37 8.230 7.662 0.568 1 1 443 . 16 1 1 A 57 57 GLN HA H 37 4.210 4.692 -0.482 1 1 450 . 16 1 1 A 57 57 GLN CA C 37 58.050 53.852 4.198 1 1 451 . 16 1 1 A 57 57 GLN CB C 37 28.290 41.180 -12.890 1 1 453 . 16 1 1 A 57 57 GLN N N 37 119.670 117.747 1.923 1 1 458 . 16 1 1 A 58 58 SER C C 38 174.020 175.068 -1.048 1 1 459 . 16 1 1 A 58 58 SER CA C 38 60.500 45.061 15.439 1 1 461 . 16 1 1 A 59 59 LEU H H 39 7.320 7.830 -0.510 1 1 465 . 16 1 1 A 59 59 LEU CA C 39 55.140 46.577 8.563 1 1 467 . 16 1 1 A 59 59 LEU N N 39 120.250 107.676 12.574 1 1 468 . 16 1 1 A 60 60 THR H H 40 7.510 8.810 -1.300 1 1 469 . 16 1 1 A 60 60 THR HA H 40 4.250 4.986 -0.736 1 1 474 . 16 1 1 A 60 60 THR C C 40 174.900 174.493 0.407 1 1 475 . 16 1 1 A 60 60 THR CA C 40 62.320 57.881 4.439 1 1 476 . 16 1 1 A 60 60 THR CB C 40 70.110 39.419 30.691 1 1 478 . 16 1 1 A 60 60 THR N N 40 112.820 125.848 -13.028 1 1 479 . 16 1 1 A 61 61 GLU H H 41 8.510 8.777 -0.267 1 1 480 . 16 1 1 A 61 61 GLU HA H 41 4.100 5.456 -1.356 1 1 485 . 16 1 1 A 61 61 GLU C C 41 176.720 175.371 1.349 1 1 486 . 16 1 1 A 61 61 GLU CA C 41 57.840 55.993 1.847 1 1 487 . 16 1 1 A 61 61 GLU CB C 41 29.840 33.371 -3.531 1 1 489 . 16 1 1 A 61 61 GLU N N 41 123.410 127.223 -3.813 1 1 490 . 16 1 1 A 62 62 ASN H H 42 8.600 8.756 -0.156 1 1 491 . 16 1 1 A 62 62 ASN HA H 42 4.580 5.029 -0.449 1 1 496 . 16 1 1 A 62 62 ASN C C 42 174.940 171.780 3.160 1 1 497 . 16 1 1 A 62 62 ASN CA C 42 53.760 60.098 -6.338 1 1 498 . 16 1 1 A 62 62 ASN CB C 42 38.130 72.002 -33.872 1 1 499 . 16 1 1 A 62 62 ASN N N 42 117.760 114.601 3.159 1 1 501 . 16 1 1 A 63 63 SER H H 43 7.800 8.965 -1.165 1 1 502 . 16 1 1 A 63 63 SER HA H 43 4.400 5.070 -0.670 1 1 505 . 16 1 1 A 63 63 SER C C 43 177.320 174.014 3.306 1 1 506 . 16 1 1 A 63 63 SER CA C 43 58.730 60.208 -1.478 1 1 507 . 16 1 1 A 63 63 SER CB C 43 64.210 33.963 30.247 1 1 508 . 16 1 1 A 63 63 SER N N 43 114.610 125.148 -10.538 1 1 509 . 16 1 1 A 64 64 ILE H H 44 8.710 8.930 -0.220 1 1 510 . 16 1 1 A 64 64 ILE HA H 44 4.180 4.539 -0.359 1 1 520 . 16 1 1 A 64 64 ILE C C 44 176.550 176.008 0.542 1 1 521 . 16 1 1 A 64 64 ILE CA C 44 63.280 60.345 2.935 1 1 522 . 16 1 1 A 64 64 ILE CB C 44 38.110 40.203 -2.093 1 1 526 . 16 1 1 A 64 64 ILE N N 44 125.240 129.873 -4.633 1 1 527 . 16 1 1 A 65 65 LEU H H 45 8.160 9.459 -1.299 1 1 528 . 16 1 1 A 65 65 LEU HA H 45 4.450 4.309 0.141 1 1 538 . 16 1 1 A 65 65 LEU C C 45 177.800 175.425 2.375 1 1 539 . 16 1 1 A 65 65 LEU CA C 45 54.820 55.142 -0.322 1 1 540 . 16 1 1 A 65 65 LEU CB C 45 41.790 39.790 2.000 1 1 544 . 16 1 1 A 65 65 LEU N N 45 118.980 128.041 -9.061 1 1 545 . 16 1 1 A 66 66 ALA H H 46 7.700 8.716 -1.016 1 1 550 . 16 1 1 A 66 66 ALA C C 46 179.870 173.766 6.104 1 1 551 . 16 1 1 A 66 66 ALA CA C 46 54.980 45.391 9.589 1 1 553 . 16 1 1 A 66 66 ALA N N 46 122.830 103.923 18.907 1 1 554 . 16 1 1 A 67 67 GLN H H 47 7.920 7.830 0.090 1 1 555 . 16 1 1 A 67 67 GLN HA H 47 4.110 4.674 -0.564 1 1 562 . 16 1 1 A 67 67 GLN C C 47 175.990 175.566 0.424 1 1 563 . 16 1 1 A 67 67 GLN CA C 47 57.170 54.244 2.926 1 1 564 . 16 1 1 A 67 67 GLN CB C 47 28.180 34.706 -6.526 1 1 566 . 16 1 1 A 67 67 GLN N N 47 115.030 120.366 -5.336 1 1 568 . 16 1 1 A 68 68 PHE H H 48 7.790 8.463 -0.673 1 1 569 . 16 1 1 A 68 68 PHE HA H 48 4.690 4.816 -0.126 1 1 576 . 16 1 1 A 68 68 PHE C C 48 175.620 174.360 1.260 1 1 577 . 16 1 1 A 68 68 PHE CA C 48 57.220 60.946 -3.726 1 1 578 . 16 1 1 A 68 68 PHE CB C 48 39.320 32.651 6.669 1 1 581 . 16 1 1 A 68 68 PHE N N 48 118.560 122.643 -4.083 1 1 582 . 16 1 1 A 69 69 ALA H H 49 7.600 9.189 -1.589 1 1 583 . 16 1 1 A 69 69 ALA HA H 49 4.120 5.341 -1.221 1 1 587 . 16 1 1 A 69 69 ALA C C 49 178.250 174.831 3.419 1 1 588 . 16 1 1 A 69 69 ALA CA C 49 53.920 56.370 -2.450 1 1 589 . 16 1 1 A 69 69 ALA CB C 49 18.660 42.938 -24.278 1 1 590 . 16 1 1 A 69 69 ALA N N 49 123.340 126.880 -3.540 1 1 591 . 16 1 1 A 70 70 GLY H H 50 8.500 8.529 -0.029 1 1 594 . 16 1 1 A 70 70 GLY C C 50 174.070 176.080 -2.010 1 1 595 . 16 1 1 A 70 70 GLY CA C 50 45.390 53.236 -7.846 1 1 596 . 16 1 1 A 70 70 GLY N N 50 108.770 120.814 -12.044 1 1 597 . 16 1 1 A 71 71 GLU H H 51 7.800 8.873 -1.073 1 1 598 . 16 1 1 A 71 71 GLU HA H 51 4.430 4.393 0.037 1 1 603 . 16 1 1 A 71 71 GLU C C 51 176.220 177.012 -0.792 1 1 604 . 16 1 1 A 71 71 GLU CA C 51 55.430 62.202 -6.772 1 1 605 . 16 1 1 A 71 71 GLU CB C 51 30.980 39.759 -8.779 1 1 607 . 16 1 1 A 71 71 GLU N N 51 119.390 119.653 -0.263 1 1 608 . 16 1 1 A 72 72 ASP H H 52 8.830 8.144 0.686 1 1 609 . 16 1 1 A 72 72 ASP HA H 52 4.850 4.110 0.740 1 1 612 . 16 1 1 A 72 72 ASP CA C 52 52.110 60.024 -7.914 1 1 613 . 16 1 1 A 72 72 ASP CB C 52 42.070 32.595 9.475 1 1 614 . 16 1 1 A 72 72 ASP N N 52 123.830 123.159 0.671 1 1 615 . 16 1 1 A 73 73 PRO HA H 53 4.410 4.519 -0.109 1 1 622 . 16 1 1 A 73 73 PRO C C 53 177.290 178.628 -1.338 1 1 623 . 16 1 1 A 73 73 PRO CA C 53 64.940 57.322 7.618 1 1 624 . 16 1 1 A 73 73 PRO CB C 53 32.130 40.657 -8.527 1 1 627 . 16 1 1 A 74 74 VAL H H 54 7.950 8.418 -0.468 1 1 628 . 16 1 1 A 74 74 VAL HA H 54 3.360 4.317 -0.957 1 1 636 . 16 1 1 A 74 74 VAL C C 54 177.540 177.835 -0.295 1 1 637 . 16 1 1 A 74 74 VAL CA C 54 66.820 62.223 4.597 1 1 638 . 16 1 1 A 74 74 VAL CB C 54 31.310 39.281 -7.971 1 1 641 . 16 1 1 A 74 74 VAL N N 54 118.670 120.726 -2.056 1 1 642 . 16 1 1 A 75 75 VAL H H 55 7.090 8.612 -1.522 1 1 643 . 16 1 1 A 75 75 VAL HA H 55 3.620 4.194 -0.574 1 1 651 . 16 1 1 A 75 75 VAL C C 55 175.050 178.092 -3.042 1 1 652 . 16 1 1 A 75 75 VAL CA C 55 65.440 58.635 6.805 1 1 653 . 16 1 1 A 75 75 VAL CB C 55 32.210 27.562 4.648 1 1 656 . 16 1 1 A 75 75 VAL N N 55 120.340 117.814 2.526 1 1 657 . 16 1 1 A 76 76 ALA H H 56 8.050 7.562 0.488 1 1 658 . 16 1 1 A 76 76 ALA HA H 56 3.870 3.820 0.050 1 1 662 . 16 1 1 A 76 76 ALA C C 56 178.160 176.717 1.443 1 1 663 . 16 1 1 A 76 76 ALA CA C 56 54.840 67.352 -12.512 1 1 664 . 16 1 1 A 76 76 ALA CB C 56 19.250 68.420 -49.170 1 1 665 . 16 1 1 A 76 76 ALA N N 56 121.910 118.203 3.707 1 1 666 . 16 1 1 A 77 77 LEU H H 57 7.720 7.881 -0.161 1 1 667 . 16 1 1 A 77 77 LEU HA H 57 3.170 4.239 -1.069 1 1 677 . 16 1 1 A 77 77 LEU C C 57 178.010 178.694 -0.684 1 1 678 . 16 1 1 A 77 77 LEU CA C 57 58.260 57.834 0.426 1 1 679 . 16 1 1 A 77 77 LEU CB C 57 39.970 28.425 11.545 1 1 683 . 16 1 1 A 77 77 LEU N N 57 120.030 119.302 0.728 1 1 684 . 16 1 1 A 78 78 GLU H H 58 7.840 7.718 0.122 1 1 685 . 16 1 1 A 78 78 GLU HA H 58 3.510 4.243 -0.733 1 1 690 . 16 1 1 A 78 78 GLU C C 58 179.140 175.256 3.884 1 1 691 . 16 1 1 A 78 78 GLU CA C 58 60.290 61.277 -0.987 1 1 692 . 16 1 1 A 78 78 GLU CB C 58 29.420 62.888 -33.468 1 1 694 . 16 1 1 A 78 78 GLU N N 58 116.990 116.216 0.774 1 1 695 . 16 1 1 A 79 79 ALA H H 59 7.710 7.645 0.065 1 1 696 . 16 1 1 A 79 79 ALA HA H 59 3.940 4.348 -0.408 1 1 700 . 16 1 1 A 79 79 ALA C C 59 180.360 176.907 3.453 1 1 701 . 16 1 1 A 79 79 ALA CA C 59 54.790 54.328 0.462 1 1 702 . 16 1 1 A 79 79 ALA CB C 59 17.930 41.343 -23.413 1 1 703 . 16 1 1 A 79 79 ALA N N 59 120.690 119.186 1.504 1 1 704 . 16 1 1 A 80 80 ALA H H 60 8.220 7.446 0.774 1 1 705 . 16 1 1 A 80 80 ALA HA H 60 3.970 4.288 -0.318 1 1 709 . 16 1 1 A 80 80 ALA C C 60 180.570 175.336 5.234 1 1 710 . 16 1 1 A 80 80 ALA CA C 60 54.160 63.842 -9.682 1 1 711 . 16 1 1 A 80 80 ALA CB C 60 18.830 68.598 -49.768 1 1 712 . 16 1 1 A 80 80 ALA N N 60 122.230 115.378 6.852 1 1 713 . 16 1 1 A 81 81 LEU H H 61 7.800 8.865 -1.065 1 1 714 . 16 1 1 A 81 81 LEU HA H 61 3.890 3.884 0.006 1 1 724 . 16 1 1 A 81 81 LEU C C 61 177.590 178.064 -0.474 1 1 725 . 16 1 1 A 81 81 LEU CA C 61 56.650 59.540 -2.890 1 1 726 . 16 1 1 A 81 81 LEU CB C 61 42.630 29.342 13.288 1 1 730 . 16 1 1 A 81 81 LEU N N 61 116.150 127.232 -11.082 1 1 731 . 16 1 1 A 82 82 GLN H H 62 7.450 7.758 -0.308 1 1 732 . 16 1 1 A 82 82 GLN HA H 62 4.250 4.746 -0.496 1 1 739 . 16 1 1 A 82 82 GLN C C 62 176.120 175.666 0.454 1 1 740 . 16 1 1 A 82 82 GLN CA C 62 55.880 54.652 1.228 1 1 741 . 16 1 1 A 82 82 GLN CB C 62 29.330 38.929 -9.599 1 1 743 . 16 1 1 A 82 82 GLN N N 62 115.740 117.604 -1.864 1 1 745 . 16 1 1 A 83 83 PHE H H 63 7.300 7.213 0.087 1 1 746 . 16 1 1 A 83 83 PHE HA H 63 4.900 4.404 0.496 1 1 753 . 16 1 1 A 83 83 PHE C C 63 176.470 175.572 0.898 1 1 754 . 16 1 1 A 83 83 PHE CA C 63 56.260 59.448 -3.188 1 1 755 . 16 1 1 A 83 83 PHE CB C 63 39.000 64.092 -25.092 1 1 758 . 16 1 1 A 83 83 PHE N N 63 120.420 114.871 5.549 1 1 759 . 16 1 1 A 84 84 GLU H H 64 9.090 8.840 0.250 1 1 760 . 16 1 1 A 84 84 GLU HA H 64 3.850 3.838 0.012 1 1 765 . 16 1 1 A 84 84 GLU C C 64 178.010 176.530 1.480 1 1 766 . 16 1 1 A 84 84 GLU CA C 64 59.910 63.998 -4.088 1 1 767 . 16 1 1 A 84 84 GLU CB C 64 29.640 37.769 -8.129 1 1 769 . 16 1 1 A 84 84 GLU N N 64 126.260 124.134 2.126 1 1 770 . 16 1 1 A 85 85 ASP H H 65 7.670 7.751 -0.081 1 1 771 . 16 1 1 A 85 85 ASP HA H 65 4.480 4.600 -0.120 1 1 774 . 16 1 1 A 85 85 ASP C C 65 177.530 178.221 -0.691 1 1 775 . 16 1 1 A 85 85 ASP CA C 65 56.290 55.452 0.838 1 1 776 . 16 1 1 A 85 85 ASP CB C 65 40.480 41.654 -1.174 1 1 777 . 16 1 1 A 85 85 ASP N N 65 114.070 121.245 -7.175 1 1 778 . 16 1 1 A 86 86 THR H H 66 7.560 7.648 -0.088 1 1 779 . 16 1 1 A 86 86 THR HA H 66 4.530 4.230 0.300 1 1 784 . 16 1 1 A 86 86 THR C C 66 176.820 180.234 -3.414 1 1 785 . 16 1 1 A 86 86 THR CA C 66 62.380 55.024 7.356 1 1 786 . 16 1 1 A 86 86 THR CB C 66 70.200 17.960 52.240 1 1 788 . 16 1 1 A 86 86 THR N N 66 106.640 122.475 -15.835 1 1 789 . 16 1 1 A 87 87 ARG H H 67 8.100 8.323 -0.223 1 1 790 . 16 1 1 A 87 87 ARG HA H 67 4.020 4.014 0.006 1 1 797 . 16 1 1 A 87 87 ARG C C 67 178.760 176.483 2.277 1 1 798 . 16 1 1 A 87 87 ARG CA C 67 61.140 57.975 3.165 1 1 799 . 16 1 1 A 87 87 ARG CB C 67 30.220 27.467 2.753 1 1 802 . 16 1 1 A 87 87 ARG N N 67 124.220 115.802 8.418 1 1 803 . 16 1 1 A 88 88 GLU H H 68 8.790 7.457 1.333 1 1 804 . 16 1 1 A 88 88 GLU HA H 68 4.090 4.464 -0.374 1 1 809 . 16 1 1 A 88 88 GLU C C 68 179.320 176.356 2.964 1 1 810 . 16 1 1 A 88 88 GLU CA C 68 59.150 57.948 1.202 1 1 811 . 16 1 1 A 88 88 GLU CB C 68 28.930 38.685 -9.755 1 1 813 . 16 1 1 A 88 88 GLU N N 68 118.790 117.745 1.045 1 1 814 . 16 1 1 A 89 89 SER H H 69 8.140 7.826 0.314 1 1 815 . 16 1 1 A 89 89 SER HA H 69 4.390 4.098 0.292 1 1 818 . 16 1 1 A 89 89 SER C C 69 176.100 179.362 -3.262 1 1 819 . 16 1 1 A 89 89 SER CA C 69 61.000 54.927 6.073 1 1 820 . 16 1 1 A 89 89 SER CB C 69 63.190 18.318 44.872 1 1 821 . 16 1 1 A 89 89 SER N N 69 115.570 122.413 -6.843 1 1 822 . 16 1 1 A 90 90 MET H H 70 7.690 8.137 -0.447 1 1 831 . 16 1 1 A 90 90 MET C C 70 177.990 173.524 4.466 1 1 832 . 16 1 1 A 90 90 MET CA C 70 55.140 45.411 9.729 1 1 836 . 16 1 1 A 90 90 MET N N 70 118.160 105.875 12.285 1 1 837 . 16 1 1 A 91 91 HIS H H 71 7.740 7.508 0.232 1 1 838 . 16 1 1 A 91 91 HIS HA H 71 4.430 5.045 -0.615 1 1 842 . 16 1 1 A 91 91 HIS C C 71 177.460 174.323 3.137 1 1 843 . 16 1 1 A 91 91 HIS CA C 71 58.830 54.363 4.467 1 1 844 . 16 1 1 A 91 91 HIS CB C 71 29.680 33.453 -3.773 1 1 846 . 16 1 1 A 91 91 HIS N N 71 118.990 121.010 -2.020 1 1 847 . 16 1 1 A 92 92 ALA H H 72 7.230 8.687 -1.457 1 1 848 . 16 1 1 A 92 92 ALA HA H 72 3.900 4.705 -0.805 1 1 852 . 16 1 1 A 92 92 ALA C C 72 177.850 176.615 1.235 1 1 853 . 16 1 1 A 92 92 ALA CA C 72 53.840 52.120 1.720 1 1 854 . 16 1 1 A 92 92 ALA CB C 72 18.250 41.834 -23.584 1 1 855 . 16 1 1 A 92 92 ALA N N 72 120.170 126.035 -5.865 1 1 857 . 16 1 1 A 93 93 PHE HA H 73 4.970 4.462 0.508 1 1 865 . 16 1 1 A 93 93 PHE C C 73 174.000 178.756 -4.756 1 1 866 . 16 1 1 A 93 93 PHE CA C 73 56.420 65.348 -8.928 1 1 867 . 16 1 1 A 93 93 PHE CB C 73 39.050 31.816 7.234 1 1 871 . 16 1 1 A 93 93 PHE N N 73 113.910 141.495 -27.585 1 1 872 . 16 1 1 A 94 94 CYS H H 74 7.690 6.746 0.944 1 1 873 . 16 1 1 A 94 94 CYS HA H 74 4.120 3.525 0.595 1 1 876 . 16 1 1 A 94 94 CYS C C 74 174.900 177.890 -2.990 1 1 877 . 16 1 1 A 94 94 CYS CA C 74 58.200 65.085 -6.885 1 1 878 . 16 1 1 A 94 94 CYS CB C 74 27.320 31.507 -4.187 1 1 879 . 16 1 1 A 94 94 CYS N N 74 121.190 116.416 4.774 1 1 880 . 16 1 1 A 95 95 VAL H H 75 8.770 7.903 0.867 1 1 881 . 16 1 1 A 95 95 VAL HA H 75 3.820 3.644 0.176 1 1 889 . 16 1 1 A 95 95 VAL C C 75 175.640 178.142 -2.502 1 1 890 . 16 1 1 A 95 95 VAL CA C 75 62.250 66.115 -3.865 1 1 891 . 16 1 1 A 95 95 VAL CB C 75 32.280 31.491 0.789 1 1 894 . 16 1 1 A 95 95 VAL N N 75 128.310 120.335 7.975 1 1 895 . 16 1 1 A 96 96 GLY H H 76 7.130 7.991 -0.861 1 1 898 . 16 1 1 A 96 96 GLY C C 76 171.220 179.616 -8.396 1 1 899 . 16 1 1 A 96 96 GLY CA C 76 44.940 55.069 -10.129 1 1 900 . 16 1 1 A 96 96 GLY N N 76 105.330 121.384 -16.054 1 1 901 . 16 1 1 A 97 97 GLN H H 77 8.590 7.666 0.924 1 1 902 . 16 1 1 A 97 97 GLN HA H 77 4.460 3.827 0.633 1 1 909 . 16 1 1 A 97 97 GLN C C 77 174.070 178.539 -4.469 1 1 910 . 16 1 1 A 97 97 GLN CA C 77 54.860 57.183 -2.323 1 1 911 . 16 1 1 A 97 97 GLN CB C 77 30.820 41.253 -10.433 1 1 913 . 16 1 1 A 97 97 GLN N N 77 120.500 120.388 0.112 1 1 915 . 16 1 1 A 98 98 TYR H H 78 8.440 8.118 0.322 1 1 916 . 16 1 1 A 98 98 TYR HA H 78 4.960 3.841 1.119 1 1 923 . 16 1 1 A 98 98 TYR C C 78 174.460 178.942 -4.482 1 1 924 . 16 1 1 A 98 98 TYR CA C 78 56.660 59.352 -2.692 1 1 925 . 16 1 1 A 98 98 TYR CB C 78 40.450 29.045 11.405 1 1 928 . 16 1 1 A 98 98 TYR N N 78 125.460 118.390 7.070 1 1 929 . 16 1 1 A 99 99 LEU H H 79 8.100 7.840 0.260 1 1 930 . 16 1 1 A 99 99 LEU HA H 79 4.360 4.179 0.181 1 1 940 . 16 1 1 A 99 99 LEU C C 79 173.790 180.362 -6.572 1 1 941 . 16 1 1 A 99 99 LEU CA C 79 53.110 54.665 -1.555 1 1 942 . 16 1 1 A 99 99 LEU CB C 79 43.200 18.062 25.138 1 1 946 . 16 1 1 A 99 99 LEU N N 79 131.670 122.720 8.950 1 1 947 . 16 1 1 A 100 100 GLU H H 80 8.160 7.458 0.702 1 1 948 . 16 1 1 A 100 100 GLU HA H 80 4.140 4.362 -0.222 1 1 953 . 16 1 1 A 100 100 GLU CA C 80 54.540 54.486 0.054 1 1 954 . 16 1 1 A 100 100 GLU CB C 80 29.270 18.271 10.999 1 1 956 . 16 1 1 A 100 100 GLU N N 80 125.120 120.352 4.768 1 1 957 . 16 1 1 A 101 101 PRO HA H 81 4.380 3.976 0.404 1 1 964 . 16 1 1 A 101 101 PRO C C 81 177.370 179.025 -1.655 1 1 965 . 16 1 1 A 101 101 PRO CA C 81 64.050 57.585 6.465 1 1 966 . 16 1 1 A 101 101 PRO CB C 81 32.130 41.181 -9.051 1 1 969 . 16 1 1 A 102 102 ASP H H 82 8.430 7.740 0.690 1 1 970 . 16 1 1 A 102 102 ASP HA H 82 4.550 4.079 0.471 1 1 973 . 16 1 1 A 102 102 ASP C C 82 176.950 176.778 0.172 1 1 974 . 16 1 1 A 102 102 ASP CA C 82 54.680 59.097 -4.417 1 1 975 . 16 1 1 A 102 102 ASP CB C 82 40.630 28.912 11.718 1 1 976 . 16 1 1 A 102 102 ASP N N 82 118.470 118.685 -0.215 1 1 977 . 16 1 1 A 103 103 GLN H H 83 8.230 7.796 0.434 1 1 978 . 16 1 1 A 103 103 GLN HA H 83 4.340 4.814 -0.474 1 1 985 . 16 1 1 A 103 103 GLN C C 83 176.210 176.646 -0.436 1 1 986 . 16 1 1 A 103 103 GLN CA C 83 55.640 57.350 -1.710 1 1 987 . 16 1 1 A 103 103 GLN CB C 83 29.630 39.486 -9.856 1 1 989 . 16 1 1 A 103 103 GLN N N 83 119.650 120.262 -0.612 1 1 991 . 16 1 1 A 104 104 GLU H H 84 8.250 8.886 -0.636 1 1 992 . 16 1 1 A 104 104 GLU HA H 84 4.220 4.027 0.193 1 1 997 . 16 1 1 A 104 104 GLU C C 84 177.100 178.649 -1.549 1 1 998 . 16 1 1 A 104 104 GLU CA C 84 57.220 58.800 -1.580 1 1 999 . 16 1 1 A 104 104 GLU CB C 84 30.320 29.032 1.288 1 1 1001 . 16 1 1 A 104 104 GLU N N 84 121.670 126.348 -4.678 1 1 1002 . 16 1 1 A 105 105 GLY H H 85 8.450 7.122 1.328 1 1 1005 . 16 1 1 A 105 105 GLY C C 85 174.000 177.306 -3.306 1 1 1006 . 16 1 1 A 105 105 GLY CA C 85 45.410 56.471 -11.061 1 1 1007 . 16 1 1 A 105 105 GLY N N 85 109.870 120.625 -10.755 1 1 1008 . 16 1 1 A 106 106 VAL H H 86 7.900 7.356 0.544 1 1 1009 . 16 1 1 A 106 106 VAL HA H 86 4.190 4.320 -0.130 1 1 1017 . 16 1 1 A 106 106 VAL C C 86 176.300 176.229 0.071 1 1 1018 . 16 1 1 A 106 106 VAL CA C 86 62.190 63.820 -1.630 1 1 1019 . 16 1 1 A 106 106 VAL CB C 86 32.860 69.382 -36.522 1 1 1022 . 16 1 1 A 106 106 VAL N N 86 119.330 112.416 6.914 1 1 1023 . 16 1 1 A 107 107 THR H H 87 8.320 8.188 0.132 1 1 1024 . 16 1 1 A 107 107 THR HA H 87 4.350 4.066 0.284 1 1 1029 . 16 1 1 A 107 107 THR C C 87 174.050 177.682 -3.632 1 1 1030 . 16 1 1 A 107 107 THR CA C 87 61.870 58.066 3.804 1 1 1031 . 16 1 1 A 107 107 THR CB C 87 69.910 29.513 40.397 1 1 1033 . 16 1 1 A 107 107 THR N N 87 119.480 122.086 -2.606 1 1 1034 . 16 1 1 A 108 108 ILE H H 88 8.360 8.349 0.011 1 1 1035 . 16 1 1 A 108 108 ILE HA H 88 4.470 3.825 0.645 1 1 1045 . 16 1 1 A 108 108 ILE CA C 88 58.410 59.024 -0.614 1 1 1046 . 16 1 1 A 108 108 ILE CB C 88 38.530 28.874 9.656 1 1 1050 . 16 1 1 A 108 108 ILE N N 88 126.140 119.864 6.276 1 1 1051 . 16 1 1 A 109 109 PRO HA H 89 4.380 4.210 0.170 1 1 1058 . 16 1 1 A 109 109 PRO C C 89 176.290 176.855 -0.565 1 1 1059 . 16 1 1 A 109 109 PRO CA C 89 63.210 61.186 2.024 1 1 1060 . 16 1 1 A 109 109 PRO CB C 89 32.220 63.192 -30.972 1 1 1063 . 16 1 1 A 110 110 ASP H H 90 8.370 7.810 0.560 1 1 1064 . 16 1 1 A 110 110 ASP HA H 90 4.580 4.667 -0.087 1 1 1067 . 16 1 1 A 110 110 ASP C C 90 176.200 179.142 -2.942 1 1 1068 . 16 1 1 A 110 110 ASP CA C 90 54.290 57.949 -3.659 1 1 1069 . 16 1 1 A 110 110 ASP CB C 90 41.120 31.540 9.580 1 1 1070 . 16 1 1 A 110 110 ASP N N 90 120.470 119.463 1.007 1 1 1071 . 16 1 1 A 111 111 LEU H H 91 8.250 7.998 0.252 1 1 1072 . 16 1 1 A 111 111 LEU HA H 91 4.370 4.396 -0.026 1 1 1081 . 16 1 1 A 111 111 LEU C C 91 177.040 177.605 -0.565 1 1 1082 . 16 1 1 A 111 111 LEU CA C 91 55.060 59.572 -4.512 1 1 1083 . 16 1 1 A 111 111 LEU CB C 91 42.290 29.346 12.944 1 1 1086 . 16 1 1 A 111 111 LEU N N 91 123.570 117.711 5.859 1 1 1087 . 16 1 1 A 112 112 GLY H H 92 8.080 7.996 0.084 1 1 1090 . 16 1 1 A 112 112 GLY CA C 92 46.190 55.011 -8.821 1 1 246 . 17 1 1 A 42 42 THR H H 22 8.820 8.912 -0.092 1 1 247 . 17 1 1 A 42 42 THR HA H 22 4.800 5.169 -0.369 1 1 252 . 17 1 1 A 42 42 THR C C 22 170.950 174.082 -3.132 1 1 253 . 17 1 1 A 42 42 THR CA C 22 60.870 54.707 6.163 1 1 254 . 17 1 1 A 42 42 THR CB C 22 71.510 36.069 35.441 1 1 256 . 17 1 1 A 42 42 THR N N 22 116.000 119.766 -3.766 1 1 257 . 17 1 1 A 43 43 VAL H H 23 8.140 8.968 -0.828 1 1 258 . 17 1 1 A 43 43 VAL HA H 23 4.830 4.979 -0.149 1 1 266 . 17 1 1 A 43 43 VAL C C 23 176.470 174.256 2.214 1 1 267 . 17 1 1 A 43 43 VAL CA C 23 61.540 59.752 1.788 1 1 268 . 17 1 1 A 43 43 VAL CB C 23 32.270 34.549 -2.279 1 1 271 . 17 1 1 A 43 43 VAL N N 23 125.850 121.231 4.619 1 1 272 . 17 1 1 A 44 44 ILE H H 24 9.350 8.779 0.571 1 1 273 . 17 1 1 A 44 44 ILE HA H 24 4.220 4.403 -0.183 1 1 283 . 17 1 1 A 44 44 ILE C C 24 176.050 174.057 1.993 1 1 284 . 17 1 1 A 44 44 ILE CA C 24 60.880 62.835 -1.955 1 1 285 . 17 1 1 A 44 44 ILE CB C 24 40.830 68.885 -28.055 1 1 289 . 17 1 1 A 44 44 ILE N N 24 128.460 122.124 6.336 1 1 290 . 17 1 1 A 45 45 ASP H H 25 9.450 9.015 0.435 1 1 291 . 17 1 1 A 45 45 ASP HA H 25 4.320 4.687 -0.367 1 1 294 . 17 1 1 A 45 45 ASP C C 25 176.060 176.054 0.006 1 1 295 . 17 1 1 A 45 45 ASP CA C 25 55.170 54.193 0.977 1 1 296 . 17 1 1 A 45 45 ASP CB C 25 39.870 41.135 -1.265 1 1 297 . 17 1 1 A 45 45 ASP N N 25 129.730 128.368 1.362 1 1 298 . 17 1 1 A 46 46 GLY H H 26 8.360 8.684 -0.324 1 1 301 . 17 1 1 A 46 46 GLY C C 26 173.150 175.450 -2.300 1 1 302 . 17 1 1 A 46 46 GLY CA C 26 46.190 61.938 -15.748 1 1 303 . 17 1 1 A 46 46 GLY N N 26 102.380 125.432 -23.052 1 1 304 . 17 1 1 A 47 47 LYS H H 27 8.000 8.291 -0.291 1 1 305 . 17 1 1 A 47 47 LYS HA H 27 4.780 4.591 0.189 1 1 314 . 17 1 1 A 47 47 LYS C C 27 177.050 177.115 -0.065 1 1 315 . 17 1 1 A 47 47 LYS CA C 27 54.870 55.593 -0.723 1 1 316 . 17 1 1 A 47 47 LYS CB C 27 36.020 31.538 4.482 1 1 320 . 17 1 1 A 47 47 LYS N N 27 121.330 128.548 -7.218 1 1 321 . 17 1 1 A 48 48 VAL H H 28 8.160 8.751 -0.591 1 1 322 . 17 1 1 A 48 48 VAL HA H 28 4.450 4.167 0.283 1 1 330 . 17 1 1 A 48 48 VAL C C 28 174.640 177.877 -3.237 1 1 331 . 17 1 1 A 48 48 VAL CA C 28 60.800 64.430 -3.630 1 1 332 . 17 1 1 A 48 48 VAL CB C 28 32.310 37.727 -5.417 1 1 335 . 17 1 1 A 48 48 VAL N N 28 119.880 125.843 -5.963 1 1 336 . 17 1 1 A 49 49 TYR H H 29 9.130 8.408 0.722 1 1 337 . 17 1 1 A 49 49 TYR HA H 29 5.200 4.047 1.153 1 1 344 . 17 1 1 A 49 49 TYR C C 29 174.540 180.296 -5.756 1 1 345 . 17 1 1 A 49 49 TYR CA C 29 56.640 55.800 0.840 1 1 346 . 17 1 1 A 49 49 TYR CB C 29 43.420 18.381 25.039 1 1 349 . 17 1 1 A 49 49 TYR N N 29 124.890 123.140 1.750 1 1 350 . 17 1 1 A 50 50 ASP H H 30 9.000 7.729 1.271 1 1 351 . 17 1 1 A 50 50 ASP HA H 30 5.330 4.417 0.913 1 1 354 . 17 1 1 A 50 50 ASP C C 30 176.020 179.194 -3.174 1 1 355 . 17 1 1 A 50 50 ASP CA C 30 53.180 57.478 -4.298 1 1 356 . 17 1 1 A 50 50 ASP CB C 30 40.910 40.260 0.650 1 1 357 . 17 1 1 A 50 50 ASP N N 30 119.790 118.630 1.160 1 1 358 . 17 1 1 A 51 51 ILE H H 31 8.700 8.197 0.503 1 1 359 . 17 1 1 A 51 51 ILE HA H 31 3.710 4.122 -0.412 1 1 369 . 17 1 1 A 51 51 ILE C C 31 178.070 179.298 -1.228 1 1 370 . 17 1 1 A 51 51 ILE CA C 31 60.750 58.097 2.653 1 1 371 . 17 1 1 A 51 51 ILE CB C 31 35.230 41.538 -6.308 1 1 375 . 17 1 1 A 51 51 ILE N N 31 125.270 121.459 3.811 1 1 376 . 17 1 1 A 52 52 LYS H H 32 8.030 7.908 0.122 1 1 377 . 17 1 1 A 52 52 LYS HA H 32 4.340 3.994 0.346 1 1 386 . 17 1 1 A 52 52 LYS C C 32 179.540 179.525 0.015 1 1 387 . 17 1 1 A 52 52 LYS CA C 32 59.380 59.833 -0.453 1 1 388 . 17 1 1 A 52 52 LYS CB C 32 31.930 29.546 2.384 1 1 392 . 17 1 1 A 52 52 LYS N N 32 120.520 117.413 3.107 1 1 393 . 17 1 1 A 53 53 ASP H H 33 7.810 8.308 -0.498 1 1 394 . 17 1 1 A 53 53 ASP HA H 33 4.620 4.409 0.211 1 1 397 . 17 1 1 A 53 53 ASP C C 33 177.670 177.969 -0.299 1 1 398 . 17 1 1 A 53 53 ASP CA C 33 56.840 56.252 0.588 1 1 399 . 17 1 1 A 53 53 ASP CB C 33 41.220 38.395 2.825 1 1 400 . 17 1 1 A 53 53 ASP N N 33 120.590 118.018 2.572 1 1 401 . 17 1 1 A 54 54 PHE H H 34 7.660 7.820 -0.160 1 1 402 . 17 1 1 A 54 54 PHE HA H 34 3.100 4.053 -0.953 1 1 410 . 17 1 1 A 54 54 PHE C C 34 176.960 176.958 0.002 1 1 411 . 17 1 1 A 54 54 PHE CA C 34 60.670 59.848 0.822 1 1 412 . 17 1 1 A 54 54 PHE CB C 34 38.870 29.113 9.757 1 1 416 . 17 1 1 A 54 54 PHE N N 34 120.480 120.150 0.330 1 1 417 . 17 1 1 A 55 55 GLN H H 35 8.860 8.295 0.565 1 1 418 . 17 1 1 A 55 55 GLN HA H 35 3.660 4.353 -0.693 1 1 425 . 17 1 1 A 55 55 GLN C C 35 178.510 177.608 0.902 1 1 426 . 17 1 1 A 55 55 GLN CA C 35 58.980 57.024 1.956 1 1 427 . 17 1 1 A 55 55 GLN CB C 35 29.450 39.003 -9.553 1 1 429 . 17 1 1 A 55 55 GLN N N 35 119.060 116.824 2.236 1 1 431 . 17 1 1 A 56 56 THR H H 36 8.150 8.292 -0.142 1 1 432 . 17 1 1 A 56 56 THR HA H 36 3.930 4.457 -0.527 1 1 437 . 17 1 1 A 56 56 THR C C 36 176.550 177.500 -0.950 1 1 438 . 17 1 1 A 56 56 THR CA C 36 66.070 56.518 9.552 1 1 439 . 17 1 1 A 56 56 THR CB C 36 69.030 38.965 30.065 1 1 441 . 17 1 1 A 56 56 THR N N 36 115.130 117.986 -2.856 1 1 442 . 17 1 1 A 57 57 GLN H H 37 8.230 7.923 0.307 1 1 443 . 17 1 1 A 57 57 GLN HA H 37 4.210 4.507 -0.297 1 1 450 . 17 1 1 A 57 57 GLN CA C 37 58.050 54.110 3.940 1 1 451 . 17 1 1 A 57 57 GLN CB C 37 28.290 40.880 -12.590 1 1 453 . 17 1 1 A 57 57 GLN N N 37 119.670 116.490 3.180 1 1 458 . 17 1 1 A 58 58 SER C C 38 174.020 174.448 -0.428 1 1 459 . 17 1 1 A 58 58 SER CA C 38 60.500 45.688 14.812 1 1 461 . 17 1 1 A 59 59 LEU H H 39 7.320 7.953 -0.633 1 1 465 . 17 1 1 A 59 59 LEU CA C 39 55.140 45.037 10.103 1 1 467 . 17 1 1 A 59 59 LEU N N 39 120.250 107.181 13.069 1 1 468 . 17 1 1 A 60 60 THR H H 40 7.510 9.230 -1.720 1 1 469 . 17 1 1 A 60 60 THR HA H 40 4.250 4.848 -0.598 1 1 474 . 17 1 1 A 60 60 THR C C 40 174.900 174.451 0.449 1 1 475 . 17 1 1 A 60 60 THR CA C 40 62.320 57.454 4.866 1 1 476 . 17 1 1 A 60 60 THR CB C 40 70.110 39.393 30.717 1 1 478 . 17 1 1 A 60 60 THR N N 40 112.820 126.495 -13.675 1 1 479 . 17 1 1 A 61 61 GLU H H 41 8.510 8.987 -0.477 1 1 480 . 17 1 1 A 61 61 GLU HA H 41 4.100 5.378 -1.278 1 1 485 . 17 1 1 A 61 61 GLU C C 41 176.720 175.167 1.553 1 1 486 . 17 1 1 A 61 61 GLU CA C 41 57.840 55.928 1.912 1 1 487 . 17 1 1 A 61 61 GLU CB C 41 29.840 31.469 -1.629 1 1 489 . 17 1 1 A 61 61 GLU N N 41 123.410 127.751 -4.341 1 1 490 . 17 1 1 A 62 62 ASN H H 42 8.600 8.420 0.180 1 1 491 . 17 1 1 A 62 62 ASN HA H 42 4.580 4.837 -0.257 1 1 496 . 17 1 1 A 62 62 ASN C C 42 174.940 171.764 3.176 1 1 497 . 17 1 1 A 62 62 ASN CA C 42 53.760 59.922 -6.162 1 1 498 . 17 1 1 A 62 62 ASN CB C 42 38.130 71.811 -33.681 1 1 499 . 17 1 1 A 62 62 ASN N N 42 117.760 114.881 2.879 1 1 501 . 17 1 1 A 63 63 SER H H 43 7.800 8.915 -1.115 1 1 502 . 17 1 1 A 63 63 SER HA H 43 4.400 5.143 -0.743 1 1 505 . 17 1 1 A 63 63 SER C C 43 177.320 173.989 3.331 1 1 506 . 17 1 1 A 63 63 SER CA C 43 58.730 59.902 -1.172 1 1 507 . 17 1 1 A 63 63 SER CB C 43 64.210 33.691 30.519 1 1 508 . 17 1 1 A 63 63 SER N N 43 114.610 124.850 -10.240 1 1 509 . 17 1 1 A 64 64 ILE H H 44 8.710 8.927 -0.217 1 1 510 . 17 1 1 A 64 64 ILE HA H 44 4.180 4.508 -0.328 1 1 520 . 17 1 1 A 64 64 ILE C C 44 176.550 175.931 0.619 1 1 521 . 17 1 1 A 64 64 ILE CA C 44 63.280 60.270 3.010 1 1 522 . 17 1 1 A 64 64 ILE CB C 44 38.110 40.421 -2.311 1 1 526 . 17 1 1 A 64 64 ILE N N 44 125.240 128.840 -3.600 1 1 527 . 17 1 1 A 65 65 LEU H H 45 8.160 9.456 -1.296 1 1 528 . 17 1 1 A 65 65 LEU HA H 45 4.450 4.303 0.147 1 1 538 . 17 1 1 A 65 65 LEU C C 45 177.800 175.461 2.339 1 1 539 . 17 1 1 A 65 65 LEU CA C 45 54.820 55.138 -0.318 1 1 540 . 17 1 1 A 65 65 LEU CB C 45 41.790 39.771 2.019 1 1 544 . 17 1 1 A 65 65 LEU N N 45 118.980 128.094 -9.114 1 1 545 . 17 1 1 A 66 66 ALA H H 46 7.700 8.753 -1.053 1 1 550 . 17 1 1 A 66 66 ALA C C 46 179.870 173.676 6.194 1 1 551 . 17 1 1 A 66 66 ALA CA C 46 54.980 45.406 9.574 1 1 553 . 17 1 1 A 66 66 ALA N N 46 122.830 103.777 19.053 1 1 554 . 17 1 1 A 67 67 GLN H H 47 7.920 7.810 0.110 1 1 555 . 17 1 1 A 67 67 GLN HA H 47 4.110 4.749 -0.639 1 1 562 . 17 1 1 A 67 67 GLN C C 47 175.990 175.291 0.699 1 1 563 . 17 1 1 A 67 67 GLN CA C 47 57.170 54.076 3.094 1 1 564 . 17 1 1 A 67 67 GLN CB C 47 28.180 34.683 -6.503 1 1 566 . 17 1 1 A 67 67 GLN N N 47 115.030 119.848 -4.818 1 1 568 . 17 1 1 A 68 68 PHE H H 48 7.790 8.169 -0.379 1 1 569 . 17 1 1 A 68 68 PHE HA H 48 4.690 4.897 -0.207 1 1 576 . 17 1 1 A 68 68 PHE C C 48 175.620 174.041 1.579 1 1 577 . 17 1 1 A 68 68 PHE CA C 48 57.220 60.838 -3.618 1 1 578 . 17 1 1 A 68 68 PHE CB C 48 39.320 33.652 5.668 1 1 581 . 17 1 1 A 68 68 PHE N N 48 118.560 120.664 -2.104 1 1 582 . 17 1 1 A 69 69 ALA H H 49 7.600 8.880 -1.280 1 1 583 . 17 1 1 A 69 69 ALA HA H 49 4.120 5.196 -1.076 1 1 587 . 17 1 1 A 69 69 ALA C C 49 178.250 173.800 4.450 1 1 588 . 17 1 1 A 69 69 ALA CA C 49 53.920 55.835 -1.915 1 1 589 . 17 1 1 A 69 69 ALA CB C 49 18.660 43.373 -24.713 1 1 590 . 17 1 1 A 69 69 ALA N N 49 123.340 125.645 -2.305 1 1 591 . 17 1 1 A 70 70 GLY H H 50 8.500 8.823 -0.323 1 1 594 . 17 1 1 A 70 70 GLY C C 50 174.070 176.473 -2.403 1 1 595 . 17 1 1 A 70 70 GLY CA C 50 45.390 52.682 -7.292 1 1 596 . 17 1 1 A 70 70 GLY N N 50 108.770 122.841 -14.071 1 1 597 . 17 1 1 A 71 71 GLU H H 51 7.800 8.752 -0.952 1 1 598 . 17 1 1 A 71 71 GLU HA H 51 4.430 3.966 0.464 1 1 603 . 17 1 1 A 71 71 GLU C C 51 176.220 178.298 -2.078 1 1 604 . 17 1 1 A 71 71 GLU CA C 51 55.430 65.016 -9.586 1 1 605 . 17 1 1 A 71 71 GLU CB C 51 30.980 37.739 -6.759 1 1 607 . 17 1 1 A 71 71 GLU N N 51 119.390 126.118 -6.728 1 1 608 . 17 1 1 A 72 72 ASP H H 52 8.830 8.258 0.572 1 1 609 . 17 1 1 A 72 72 ASP HA H 52 4.850 4.156 0.694 1 1 612 . 17 1 1 A 72 72 ASP CA C 52 52.110 59.844 -7.734 1 1 613 . 17 1 1 A 72 72 ASP CB C 52 42.070 32.507 9.563 1 1 614 . 17 1 1 A 72 72 ASP N N 52 123.830 122.101 1.729 1 1 615 . 17 1 1 A 73 73 PRO HA H 53 4.410 4.476 -0.066 1 1 622 . 17 1 1 A 73 73 PRO C C 53 177.290 178.567 -1.277 1 1 623 . 17 1 1 A 73 73 PRO CA C 53 64.940 57.351 7.589 1 1 624 . 17 1 1 A 73 73 PRO CB C 53 32.130 41.095 -8.965 1 1 627 . 17 1 1 A 74 74 VAL H H 54 7.950 8.361 -0.411 1 1 628 . 17 1 1 A 74 74 VAL HA H 54 3.360 4.405 -1.045 1 1 636 . 17 1 1 A 74 74 VAL C C 54 177.540 177.488 0.052 1 1 637 . 17 1 1 A 74 74 VAL CA C 54 66.820 62.327 4.493 1 1 638 . 17 1 1 A 74 74 VAL CB C 54 31.310 39.273 -7.963 1 1 641 . 17 1 1 A 74 74 VAL N N 54 118.670 120.684 -2.014 1 1 642 . 17 1 1 A 75 75 VAL H H 55 7.090 8.502 -1.412 1 1 643 . 17 1 1 A 75 75 VAL HA H 55 3.620 4.091 -0.471 1 1 651 . 17 1 1 A 75 75 VAL C C 55 175.050 177.886 -2.836 1 1 652 . 17 1 1 A 75 75 VAL CA C 55 65.440 58.513 6.927 1 1 653 . 17 1 1 A 75 75 VAL CB C 55 32.210 27.747 4.463 1 1 656 . 17 1 1 A 75 75 VAL N N 55 120.340 117.846 2.494 1 1 657 . 17 1 1 A 76 76 ALA H H 56 8.050 7.623 0.427 1 1 658 . 17 1 1 A 76 76 ALA HA H 56 3.870 3.949 -0.079 1 1 662 . 17 1 1 A 76 76 ALA C C 56 178.160 177.100 1.060 1 1 663 . 17 1 1 A 76 76 ALA CA C 56 54.840 66.715 -11.875 1 1 664 . 17 1 1 A 76 76 ALA CB C 56 19.250 68.276 -49.026 1 1 665 . 17 1 1 A 76 76 ALA N N 56 121.910 118.748 3.162 1 1 666 . 17 1 1 A 77 77 LEU H H 57 7.720 8.016 -0.296 1 1 667 . 17 1 1 A 77 77 LEU HA H 57 3.170 4.258 -1.088 1 1 677 . 17 1 1 A 77 77 LEU C C 57 178.010 177.150 0.860 1 1 678 . 17 1 1 A 77 77 LEU CA C 57 58.260 57.977 0.283 1 1 679 . 17 1 1 A 77 77 LEU CB C 57 39.970 28.611 11.359 1 1 683 . 17 1 1 A 77 77 LEU N N 57 120.030 119.664 0.366 1 1 684 . 17 1 1 A 78 78 GLU H H 58 7.840 7.877 -0.037 1 1 685 . 17 1 1 A 78 78 GLU HA H 58 3.510 4.416 -0.906 1 1 690 . 17 1 1 A 78 78 GLU C C 58 179.140 175.408 3.732 1 1 691 . 17 1 1 A 78 78 GLU CA C 58 60.290 58.588 1.702 1 1 692 . 17 1 1 A 78 78 GLU CB C 58 29.420 62.740 -33.320 1 1 694 . 17 1 1 A 78 78 GLU N N 58 116.990 114.794 2.196 1 1 695 . 17 1 1 A 79 79 ALA H H 59 7.710 7.866 -0.156 1 1 696 . 17 1 1 A 79 79 ALA HA H 59 3.940 4.141 -0.201 1 1 700 . 17 1 1 A 79 79 ALA C C 59 180.360 177.296 3.064 1 1 701 . 17 1 1 A 79 79 ALA CA C 59 54.790 57.672 -2.882 1 1 702 . 17 1 1 A 79 79 ALA CB C 59 17.930 41.282 -23.352 1 1 703 . 17 1 1 A 79 79 ALA N N 59 120.690 118.567 2.123 1 1 704 . 17 1 1 A 80 80 ALA H H 60 8.220 7.877 0.343 1 1 705 . 17 1 1 A 80 80 ALA HA H 60 3.970 4.438 -0.468 1 1 709 . 17 1 1 A 80 80 ALA C C 60 180.570 175.627 4.943 1 1 710 . 17 1 1 A 80 80 ALA CA C 60 54.160 63.115 -8.955 1 1 711 . 17 1 1 A 80 80 ALA CB C 60 18.830 69.419 -50.589 1 1 712 . 17 1 1 A 80 80 ALA N N 60 122.230 115.175 7.055 1 1 713 . 17 1 1 A 81 81 LEU H H 61 7.800 8.899 -1.099 1 1 714 . 17 1 1 A 81 81 LEU HA H 61 3.890 4.102 -0.212 1 1 724 . 17 1 1 A 81 81 LEU C C 61 177.590 176.793 0.797 1 1 725 . 17 1 1 A 81 81 LEU CA C 61 56.650 58.704 -2.054 1 1 726 . 17 1 1 A 81 81 LEU CB C 61 42.630 29.072 13.558 1 1 730 . 17 1 1 A 81 81 LEU N N 61 116.150 124.836 -8.686 1 1 731 . 17 1 1 A 82 82 GLN H H 62 7.450 7.861 -0.411 1 1 732 . 17 1 1 A 82 82 GLN HA H 62 4.250 4.912 -0.662 1 1 739 . 17 1 1 A 82 82 GLN C C 62 176.120 173.695 2.425 1 1 740 . 17 1 1 A 82 82 GLN CA C 62 55.880 52.272 3.608 1 1 741 . 17 1 1 A 82 82 GLN CB C 62 29.330 37.975 -8.645 1 1 743 . 17 1 1 A 82 82 GLN N N 62 115.740 118.557 -2.817 1 1 745 . 17 1 1 A 83 83 PHE H H 63 7.300 8.199 -0.899 1 1 746 . 17 1 1 A 83 83 PHE HA H 63 4.900 4.797 0.103 1 1 753 . 17 1 1 A 83 83 PHE C C 63 176.470 175.094 1.376 1 1 754 . 17 1 1 A 83 83 PHE CA C 63 56.260 56.521 -0.261 1 1 755 . 17 1 1 A 83 83 PHE CB C 63 39.000 65.972 -26.972 1 1 758 . 17 1 1 A 83 83 PHE N N 63 120.420 116.415 4.005 1 1 759 . 17 1 1 A 84 84 GLU H H 64 9.090 8.579 0.511 1 1 760 . 17 1 1 A 84 84 GLU HA H 64 3.850 3.914 -0.064 1 1 765 . 17 1 1 A 84 84 GLU C C 64 178.010 176.409 1.601 1 1 766 . 17 1 1 A 84 84 GLU CA C 64 59.910 63.940 -4.030 1 1 767 . 17 1 1 A 84 84 GLU CB C 64 29.640 37.859 -8.219 1 1 769 . 17 1 1 A 84 84 GLU N N 64 126.260 116.486 9.774 1 1 770 . 17 1 1 A 85 85 ASP H H 65 7.670 7.711 -0.041 1 1 771 . 17 1 1 A 85 85 ASP HA H 65 4.480 4.793 -0.313 1 1 774 . 17 1 1 A 85 85 ASP C C 65 177.530 177.523 0.007 1 1 775 . 17 1 1 A 85 85 ASP CA C 65 56.290 54.532 1.758 1 1 776 . 17 1 1 A 85 85 ASP CB C 65 40.480 41.976 -1.496 1 1 777 . 17 1 1 A 85 85 ASP N N 65 114.070 121.735 -7.665 1 1 778 . 17 1 1 A 86 86 THR H H 66 7.560 7.923 -0.363 1 1 779 . 17 1 1 A 86 86 THR HA H 66 4.530 4.025 0.505 1 1 784 . 17 1 1 A 86 86 THR C C 66 176.820 179.785 -2.965 1 1 785 . 17 1 1 A 86 86 THR CA C 66 62.380 54.873 7.507 1 1 786 . 17 1 1 A 86 86 THR CB C 66 70.200 18.307 51.893 1 1 788 . 17 1 1 A 86 86 THR N N 66 106.640 123.579 -16.939 1 1 789 . 17 1 1 A 87 87 ARG H H 67 8.100 8.400 -0.300 1 1 790 . 17 1 1 A 87 87 ARG HA H 67 4.020 4.047 -0.027 1 1 797 . 17 1 1 A 87 87 ARG C C 67 178.760 176.272 2.488 1 1 798 . 17 1 1 A 87 87 ARG CA C 67 61.140 57.800 3.340 1 1 799 . 17 1 1 A 87 87 ARG CB C 67 30.220 27.373 2.847 1 1 802 . 17 1 1 A 87 87 ARG N N 67 124.220 115.963 8.257 1 1 803 . 17 1 1 A 88 88 GLU H H 68 8.790 7.582 1.208 1 1 804 . 17 1 1 A 88 88 GLU HA H 68 4.090 4.566 -0.476 1 1 809 . 17 1 1 A 88 88 GLU C C 68 179.320 176.474 2.846 1 1 810 . 17 1 1 A 88 88 GLU CA C 68 59.150 58.021 1.129 1 1 811 . 17 1 1 A 88 88 GLU CB C 68 28.930 39.201 -10.271 1 1 813 . 17 1 1 A 88 88 GLU N N 68 118.790 117.955 0.835 1 1 814 . 17 1 1 A 89 89 SER H H 69 8.140 7.899 0.241 1 1 815 . 17 1 1 A 89 89 SER HA H 69 4.390 4.152 0.238 1 1 818 . 17 1 1 A 89 89 SER C C 69 176.100 178.819 -2.719 1 1 819 . 17 1 1 A 89 89 SER CA C 69 61.000 54.849 6.151 1 1 820 . 17 1 1 A 89 89 SER CB C 69 63.190 18.288 44.902 1 1 821 . 17 1 1 A 89 89 SER N N 69 115.570 122.341 -6.771 1 1 822 . 17 1 1 A 90 90 MET H H 70 7.690 8.118 -0.428 1 1 831 . 17 1 1 A 90 90 MET C C 70 177.990 173.510 4.480 1 1 832 . 17 1 1 A 90 90 MET CA C 70 55.140 45.359 9.781 1 1 836 . 17 1 1 A 90 90 MET N N 70 118.160 105.685 12.475 1 1 837 . 17 1 1 A 91 91 HIS H H 71 7.740 7.412 0.328 1 1 838 . 17 1 1 A 91 91 HIS HA H 71 4.430 5.048 -0.618 1 1 842 . 17 1 1 A 91 91 HIS C C 71 177.460 174.216 3.244 1 1 843 . 17 1 1 A 91 91 HIS CA C 71 58.830 54.387 4.443 1 1 844 . 17 1 1 A 91 91 HIS CB C 71 29.680 33.616 -3.936 1 1 846 . 17 1 1 A 91 91 HIS N N 71 118.990 120.738 -1.748 1 1 847 . 17 1 1 A 92 92 ALA H H 72 7.230 8.738 -1.508 1 1 848 . 17 1 1 A 92 92 ALA HA H 72 3.900 4.734 -0.834 1 1 852 . 17 1 1 A 92 92 ALA C C 72 177.850 176.622 1.228 1 1 853 . 17 1 1 A 92 92 ALA CA C 72 53.840 52.127 1.713 1 1 854 . 17 1 1 A 92 92 ALA CB C 72 18.250 41.917 -23.667 1 1 855 . 17 1 1 A 92 92 ALA N N 72 120.170 125.849 -5.679 1 1 857 . 17 1 1 A 93 93 PHE HA H 73 4.970 4.516 0.454 1 1 865 . 17 1 1 A 93 93 PHE C C 73 174.000 178.464 -4.464 1 1 866 . 17 1 1 A 93 93 PHE CA C 73 56.420 65.093 -8.673 1 1 867 . 17 1 1 A 93 93 PHE CB C 73 39.050 32.113 6.937 1 1 871 . 17 1 1 A 93 93 PHE N N 73 113.910 141.671 -27.761 1 1 872 . 17 1 1 A 94 94 CYS H H 74 7.690 6.744 0.946 1 1 873 . 17 1 1 A 94 94 CYS HA H 74 4.120 3.555 0.565 1 1 876 . 17 1 1 A 94 94 CYS C C 74 174.900 177.759 -2.859 1 1 877 . 17 1 1 A 94 94 CYS CA C 74 58.200 65.350 -7.150 1 1 878 . 17 1 1 A 94 94 CYS CB C 74 27.320 31.630 -4.310 1 1 879 . 17 1 1 A 94 94 CYS N N 74 121.190 116.452 4.738 1 1 880 . 17 1 1 A 95 95 VAL H H 75 8.770 7.845 0.925 1 1 881 . 17 1 1 A 95 95 VAL HA H 75 3.820 3.647 0.173 1 1 889 . 17 1 1 A 95 95 VAL C C 75 175.640 178.198 -2.558 1 1 890 . 17 1 1 A 95 95 VAL CA C 75 62.250 66.318 -4.068 1 1 891 . 17 1 1 A 95 95 VAL CB C 75 32.280 31.487 0.793 1 1 894 . 17 1 1 A 95 95 VAL N N 75 128.310 119.687 8.623 1 1 895 . 17 1 1 A 96 96 GLY H H 76 7.130 7.960 -0.830 1 1 898 . 17 1 1 A 96 96 GLY C C 76 171.220 179.440 -8.220 1 1 899 . 17 1 1 A 96 96 GLY CA C 76 44.940 55.141 -10.201 1 1 900 . 17 1 1 A 96 96 GLY N N 76 105.330 121.521 -16.191 1 1 901 . 17 1 1 A 97 97 GLN H H 77 8.590 7.239 1.351 1 1 902 . 17 1 1 A 97 97 GLN HA H 77 4.460 3.545 0.915 1 1 909 . 17 1 1 A 97 97 GLN C C 77 174.070 178.518 -4.448 1 1 910 . 17 1 1 A 97 97 GLN CA C 77 54.860 56.737 -1.877 1 1 911 . 17 1 1 A 97 97 GLN CB C 77 30.820 41.033 -10.213 1 1 913 . 17 1 1 A 97 97 GLN N N 77 120.500 120.038 0.462 1 1 915 . 17 1 1 A 98 98 TYR H H 78 8.440 8.042 0.398 1 1 916 . 17 1 1 A 98 98 TYR HA H 78 4.960 3.863 1.097 1 1 923 . 17 1 1 A 98 98 TYR C C 78 174.460 179.220 -4.760 1 1 924 . 17 1 1 A 98 98 TYR CA C 78 56.660 59.174 -2.514 1 1 925 . 17 1 1 A 98 98 TYR CB C 78 40.450 29.419 11.031 1 1 928 . 17 1 1 A 98 98 TYR N N 78 125.460 118.672 6.788 1 1 929 . 17 1 1 A 99 99 LEU H H 79 8.100 7.937 0.163 1 1 930 . 17 1 1 A 99 99 LEU HA H 79 4.360 4.134 0.226 1 1 940 . 17 1 1 A 99 99 LEU C C 79 173.790 180.126 -6.336 1 1 941 . 17 1 1 A 99 99 LEU CA C 79 53.110 54.777 -1.667 1 1 942 . 17 1 1 A 99 99 LEU CB C 79 43.200 18.216 24.984 1 1 946 . 17 1 1 A 99 99 LEU N N 79 131.670 123.111 8.559 1 1 947 . 17 1 1 A 100 100 GLU H H 80 8.160 7.389 0.771 1 1 948 . 17 1 1 A 100 100 GLU HA H 80 4.140 4.355 -0.215 1 1 953 . 17 1 1 A 100 100 GLU CA C 80 54.540 54.942 -0.402 1 1 954 . 17 1 1 A 100 100 GLU CB C 80 29.270 18.173 11.097 1 1 956 . 17 1 1 A 100 100 GLU N N 80 125.120 120.517 4.603 1 1 957 . 17 1 1 A 101 101 PRO HA H 81 4.380 3.954 0.426 1 1 964 . 17 1 1 A 101 101 PRO C C 81 177.370 179.526 -2.156 1 1 965 . 17 1 1 A 101 101 PRO CA C 81 64.050 57.706 6.344 1 1 966 . 17 1 1 A 101 101 PRO CB C 81 32.130 41.201 -9.071 1 1 969 . 17 1 1 A 102 102 ASP H H 82 8.430 7.747 0.683 1 1 970 . 17 1 1 A 102 102 ASP HA H 82 4.550 4.320 0.230 1 1 973 . 17 1 1 A 102 102 ASP C C 82 176.950 176.342 0.608 1 1 974 . 17 1 1 A 102 102 ASP CA C 82 54.680 58.075 -3.395 1 1 975 . 17 1 1 A 102 102 ASP CB C 82 40.630 29.225 11.405 1 1 976 . 17 1 1 A 102 102 ASP N N 82 118.470 116.628 1.842 1 1 977 . 17 1 1 A 103 103 GLN H H 83 8.230 7.718 0.512 1 1 978 . 17 1 1 A 103 103 GLN HA H 83 4.340 4.797 -0.457 1 1 985 . 17 1 1 A 103 103 GLN C C 83 176.210 176.390 -0.180 1 1 986 . 17 1 1 A 103 103 GLN CA C 83 55.640 57.090 -1.450 1 1 987 . 17 1 1 A 103 103 GLN CB C 83 29.630 39.400 -9.770 1 1 989 . 17 1 1 A 103 103 GLN N N 83 119.650 121.532 -1.882 1 1 991 . 17 1 1 A 104 104 GLU H H 84 8.250 9.017 -0.767 1 1 992 . 17 1 1 A 104 104 GLU HA H 84 4.220 4.065 0.155 1 1 997 . 17 1 1 A 104 104 GLU C C 84 177.100 178.091 -0.991 1 1 998 . 17 1 1 A 104 104 GLU CA C 84 57.220 59.032 -1.812 1 1 999 . 17 1 1 A 104 104 GLU CB C 84 30.320 29.037 1.283 1 1 1001 . 17 1 1 A 104 104 GLU N N 84 121.670 126.789 -5.119 1 1 1002 . 17 1 1 A 105 105 GLY H H 85 8.450 7.345 1.105 1 1 1005 . 17 1 1 A 105 105 GLY C C 85 174.000 177.857 -3.857 1 1 1006 . 17 1 1 A 105 105 GLY CA C 85 45.410 57.103 -11.693 1 1 1007 . 17 1 1 A 105 105 GLY N N 85 109.870 120.574 -10.704 1 1 1008 . 17 1 1 A 106 106 VAL H H 86 7.900 7.728 0.172 1 1 1009 . 17 1 1 A 106 106 VAL HA H 86 4.190 4.236 -0.046 1 1 1017 . 17 1 1 A 106 106 VAL C C 86 176.300 176.270 0.030 1 1 1018 . 17 1 1 A 106 106 VAL CA C 86 62.190 64.021 -1.831 1 1 1019 . 17 1 1 A 106 106 VAL CB C 86 32.860 68.939 -36.079 1 1 1022 . 17 1 1 A 106 106 VAL N N 86 119.330 112.448 6.882 1 1 1023 . 17 1 1 A 107 107 THR H H 87 8.320 8.440 -0.120 1 1 1024 . 17 1 1 A 107 107 THR HA H 87 4.350 4.068 0.282 1 1 1029 . 17 1 1 A 107 107 THR C C 87 174.050 177.930 -3.880 1 1 1030 . 17 1 1 A 107 107 THR CA C 87 61.870 58.763 3.107 1 1 1031 . 17 1 1 A 107 107 THR CB C 87 69.910 30.152 39.758 1 1 1033 . 17 1 1 A 107 107 THR N N 87 119.480 123.188 -3.708 1 1 1034 . 17 1 1 A 108 108 ILE H H 88 8.360 8.399 -0.039 1 1 1035 . 17 1 1 A 108 108 ILE HA H 88 4.470 4.139 0.331 1 1 1045 . 17 1 1 A 108 108 ILE CA C 88 58.410 59.294 -0.884 1 1 1046 . 17 1 1 A 108 108 ILE CB C 88 38.530 28.825 9.705 1 1 1050 . 17 1 1 A 108 108 ILE N N 88 126.140 119.392 6.748 1 1 1051 . 17 1 1 A 109 109 PRO HA H 89 4.380 4.434 -0.054 1 1 1058 . 17 1 1 A 109 109 PRO C C 89 176.290 176.836 -0.546 1 1 1059 . 17 1 1 A 109 109 PRO CA C 89 63.210 61.327 1.883 1 1 1060 . 17 1 1 A 109 109 PRO CB C 89 32.220 63.126 -30.906 1 1 1063 . 17 1 1 A 110 110 ASP H H 90 8.370 8.208 0.162 1 1 1064 . 17 1 1 A 110 110 ASP HA H 90 4.580 4.837 -0.257 1 1 1067 . 17 1 1 A 110 110 ASP C C 90 176.200 177.835 -1.635 1 1 1068 . 17 1 1 A 110 110 ASP CA C 90 54.290 56.121 -1.831 1 1 1069 . 17 1 1 A 110 110 ASP CB C 90 41.120 31.693 9.427 1 1 1070 . 17 1 1 A 110 110 ASP N N 90 120.470 119.937 0.533 1 1 1071 . 17 1 1 A 111 111 LEU H H 91 8.250 8.436 -0.186 1 1 1072 . 17 1 1 A 111 111 LEU HA H 91 4.370 4.391 -0.021 1 1 1081 . 17 1 1 A 111 111 LEU C C 91 177.040 177.260 -0.220 1 1 1082 . 17 1 1 A 111 111 LEU CA C 91 55.060 58.959 -3.899 1 1 1083 . 17 1 1 A 111 111 LEU CB C 91 42.290 29.004 13.286 1 1 1086 . 17 1 1 A 111 111 LEU N N 91 123.570 118.351 5.219 1 1 1087 . 17 1 1 A 112 112 GLY H H 92 8.080 7.647 0.433 1 1 1090 . 17 1 1 A 112 112 GLY CA C 92 46.190 54.204 -8.014 1 1 246 . 18 1 1 A 42 42 THR H H 22 8.820 7.645 1.175 1 1 247 . 18 1 1 A 42 42 THR HA H 22 4.800 4.199 0.601 1 1 252 . 18 1 1 A 42 42 THR C C 22 170.950 176.209 -5.259 1 1 253 . 18 1 1 A 42 42 THR CA C 22 60.870 56.258 4.612 1 1 254 . 18 1 1 A 42 42 THR CB C 22 71.510 32.752 38.758 1 1 256 . 18 1 1 A 42 42 THR N N 22 116.000 119.624 -3.624 1 1 257 . 18 1 1 A 43 43 VAL H H 23 8.140 8.361 -0.221 1 1 258 . 18 1 1 A 43 43 VAL HA H 23 4.830 4.133 0.697 1 1 266 . 18 1 1 A 43 43 VAL C C 23 176.470 175.805 0.665 1 1 267 . 18 1 1 A 43 43 VAL CA C 23 61.540 62.479 -0.939 1 1 268 . 18 1 1 A 43 43 VAL CB C 23 32.270 32.909 -0.639 1 1 271 . 18 1 1 A 43 43 VAL N N 23 125.850 126.425 -0.575 1 1 272 . 18 1 1 A 44 44 ILE H H 24 9.350 8.726 0.624 1 1 273 . 18 1 1 A 44 44 ILE HA H 24 4.220 4.354 -0.134 1 1 283 . 18 1 1 A 44 44 ILE C C 24 176.050 174.125 1.925 1 1 284 . 18 1 1 A 44 44 ILE CA C 24 60.880 62.835 -1.955 1 1 285 . 18 1 1 A 44 44 ILE CB C 24 40.830 68.853 -28.023 1 1 289 . 18 1 1 A 44 44 ILE N N 24 128.460 123.087 5.373 1 1 290 . 18 1 1 A 45 45 ASP H H 25 9.450 9.009 0.441 1 1 291 . 18 1 1 A 45 45 ASP HA H 25 4.320 4.939 -0.619 1 1 294 . 18 1 1 A 45 45 ASP C C 25 176.060 176.057 0.003 1 1 295 . 18 1 1 A 45 45 ASP CA C 25 55.170 54.092 1.078 1 1 296 . 18 1 1 A 45 45 ASP CB C 25 39.870 41.044 -1.174 1 1 297 . 18 1 1 A 45 45 ASP N N 25 129.730 128.512 1.218 1 1 298 . 18 1 1 A 46 46 GLY H H 26 8.360 8.746 -0.386 1 1 301 . 18 1 1 A 46 46 GLY C C 26 173.150 175.600 -2.450 1 1 302 . 18 1 1 A 46 46 GLY CA C 26 46.190 61.976 -15.786 1 1 303 . 18 1 1 A 46 46 GLY N N 26 102.380 125.354 -22.974 1 1 304 . 18 1 1 A 47 47 LYS H H 27 8.000 8.884 -0.884 1 1 305 . 18 1 1 A 47 47 LYS HA H 27 4.780 4.401 0.379 1 1 314 . 18 1 1 A 47 47 LYS C C 27 177.050 177.710 -0.660 1 1 315 . 18 1 1 A 47 47 LYS CA C 27 54.870 55.783 -0.913 1 1 316 . 18 1 1 A 47 47 LYS CB C 27 36.020 31.210 4.810 1 1 320 . 18 1 1 A 47 47 LYS N N 27 121.330 126.112 -4.782 1 1 321 . 18 1 1 A 48 48 VAL H H 28 8.160 8.702 -0.542 1 1 322 . 18 1 1 A 48 48 VAL HA H 28 4.450 4.232 0.218 1 1 330 . 18 1 1 A 48 48 VAL C C 28 174.640 177.764 -3.124 1 1 331 . 18 1 1 A 48 48 VAL CA C 28 60.800 64.290 -3.490 1 1 332 . 18 1 1 A 48 48 VAL CB C 28 32.310 37.501 -5.191 1 1 335 . 18 1 1 A 48 48 VAL N N 28 119.880 124.082 -4.202 1 1 336 . 18 1 1 A 49 49 TYR H H 29 9.130 8.319 0.811 1 1 337 . 18 1 1 A 49 49 TYR HA H 29 5.200 4.306 0.894 1 1 344 . 18 1 1 A 49 49 TYR C C 29 174.540 179.724 -5.184 1 1 345 . 18 1 1 A 49 49 TYR CA C 29 56.640 55.221 1.419 1 1 346 . 18 1 1 A 49 49 TYR CB C 29 43.420 18.053 25.367 1 1 349 . 18 1 1 A 49 49 TYR N N 29 124.890 123.174 1.716 1 1 350 . 18 1 1 A 50 50 ASP H H 30 9.000 8.095 0.905 1 1 351 . 18 1 1 A 50 50 ASP HA H 30 5.330 4.405 0.925 1 1 354 . 18 1 1 A 50 50 ASP C C 30 176.020 178.838 -2.818 1 1 355 . 18 1 1 A 50 50 ASP CA C 30 53.180 57.601 -4.421 1 1 356 . 18 1 1 A 50 50 ASP CB C 30 40.910 42.393 -1.483 1 1 357 . 18 1 1 A 50 50 ASP N N 30 119.790 118.464 1.326 1 1 358 . 18 1 1 A 51 51 ILE H H 31 8.700 8.021 0.679 1 1 359 . 18 1 1 A 51 51 ILE HA H 31 3.710 4.283 -0.573 1 1 369 . 18 1 1 A 51 51 ILE C C 31 178.070 179.449 -1.379 1 1 370 . 18 1 1 A 51 51 ILE CA C 31 60.750 58.175 2.575 1 1 371 . 18 1 1 A 51 51 ILE CB C 31 35.230 41.728 -6.498 1 1 375 . 18 1 1 A 51 51 ILE N N 31 125.270 120.308 4.962 1 1 376 . 18 1 1 A 52 52 LYS H H 32 8.030 8.015 0.015 1 1 377 . 18 1 1 A 52 52 LYS HA H 32 4.340 3.925 0.415 1 1 386 . 18 1 1 A 52 52 LYS C C 32 179.540 179.429 0.111 1 1 387 . 18 1 1 A 52 52 LYS CA C 32 59.380 59.769 -0.389 1 1 388 . 18 1 1 A 52 52 LYS CB C 32 31.930 29.245 2.685 1 1 392 . 18 1 1 A 52 52 LYS N N 32 120.520 117.006 3.514 1 1 393 . 18 1 1 A 53 53 ASP H H 33 7.810 8.130 -0.320 1 1 394 . 18 1 1 A 53 53 ASP HA H 33 4.620 4.423 0.197 1 1 397 . 18 1 1 A 53 53 ASP C C 33 177.670 177.847 -0.177 1 1 398 . 18 1 1 A 53 53 ASP CA C 33 56.840 56.189 0.651 1 1 399 . 18 1 1 A 53 53 ASP CB C 33 41.220 38.057 3.163 1 1 400 . 18 1 1 A 53 53 ASP N N 33 120.590 118.193 2.397 1 1 401 . 18 1 1 A 54 54 PHE H H 34 7.660 8.051 -0.391 1 1 402 . 18 1 1 A 54 54 PHE HA H 34 3.100 3.930 -0.830 1 1 410 . 18 1 1 A 54 54 PHE C C 34 176.960 176.973 -0.013 1 1 411 . 18 1 1 A 54 54 PHE CA C 34 60.670 59.842 0.828 1 1 412 . 18 1 1 A 54 54 PHE CB C 34 38.870 28.914 9.956 1 1 416 . 18 1 1 A 54 54 PHE N N 34 120.480 120.745 -0.265 1 1 417 . 18 1 1 A 55 55 GLN H H 35 8.860 8.259 0.601 1 1 418 . 18 1 1 A 55 55 GLN HA H 35 3.660 4.157 -0.497 1 1 425 . 18 1 1 A 55 55 GLN C C 35 178.510 177.482 1.028 1 1 426 . 18 1 1 A 55 55 GLN CA C 35 58.980 56.716 2.264 1 1 427 . 18 1 1 A 55 55 GLN CB C 35 29.450 38.721 -9.271 1 1 429 . 18 1 1 A 55 55 GLN N N 35 119.060 116.758 2.302 1 1 431 . 18 1 1 A 56 56 THR H H 36 8.150 8.201 -0.051 1 1 432 . 18 1 1 A 56 56 THR HA H 36 3.930 4.401 -0.471 1 1 437 . 18 1 1 A 56 56 THR C C 36 176.550 177.039 -0.489 1 1 438 . 18 1 1 A 56 56 THR CA C 36 66.070 56.602 9.468 1 1 439 . 18 1 1 A 56 56 THR CB C 36 69.030 39.363 29.667 1 1 441 . 18 1 1 A 56 56 THR N N 36 115.130 117.765 -2.635 1 1 442 . 18 1 1 A 57 57 GLN H H 37 8.230 7.506 0.724 1 1 443 . 18 1 1 A 57 57 GLN HA H 37 4.210 4.473 -0.263 1 1 450 . 18 1 1 A 57 57 GLN CA C 37 58.050 54.564 3.486 1 1 451 . 18 1 1 A 57 57 GLN CB C 37 28.290 41.082 -12.792 1 1 453 . 18 1 1 A 57 57 GLN N N 37 119.670 117.025 2.645 1 1 458 . 18 1 1 A 58 58 SER C C 38 174.020 174.272 -0.252 1 1 459 . 18 1 1 A 58 58 SER CA C 38 60.500 45.040 15.460 1 1 461 . 18 1 1 A 59 59 LEU H H 39 7.320 7.778 -0.458 1 1 465 . 18 1 1 A 59 59 LEU CA C 39 55.140 44.802 10.338 1 1 467 . 18 1 1 A 59 59 LEU N N 39 120.250 107.299 12.951 1 1 468 . 18 1 1 A 60 60 THR H H 40 7.510 9.176 -1.666 1 1 469 . 18 1 1 A 60 60 THR HA H 40 4.250 4.772 -0.522 1 1 474 . 18 1 1 A 60 60 THR C C 40 174.900 174.394 0.506 1 1 475 . 18 1 1 A 60 60 THR CA C 40 62.320 57.068 5.252 1 1 476 . 18 1 1 A 60 60 THR CB C 40 70.110 39.231 30.879 1 1 478 . 18 1 1 A 60 60 THR N N 40 112.820 126.583 -13.763 1 1 479 . 18 1 1 A 61 61 GLU H H 41 8.510 9.052 -0.542 1 1 480 . 18 1 1 A 61 61 GLU HA H 41 4.100 5.592 -1.492 1 1 485 . 18 1 1 A 61 61 GLU C C 41 176.720 175.201 1.519 1 1 486 . 18 1 1 A 61 61 GLU CA C 41 57.840 55.533 2.307 1 1 487 . 18 1 1 A 61 61 GLU CB C 41 29.840 31.090 -1.250 1 1 489 . 18 1 1 A 61 61 GLU N N 41 123.410 128.225 -4.815 1 1 490 . 18 1 1 A 62 62 ASN H H 42 8.600 9.078 -0.478 1 1 491 . 18 1 1 A 62 62 ASN HA H 42 4.580 5.167 -0.587 1 1 496 . 18 1 1 A 62 62 ASN C C 42 174.940 172.185 2.755 1 1 497 . 18 1 1 A 62 62 ASN CA C 42 53.760 59.893 -6.133 1 1 498 . 18 1 1 A 62 62 ASN CB C 42 38.130 72.102 -33.972 1 1 499 . 18 1 1 A 62 62 ASN N N 42 117.760 116.730 1.030 1 1 501 . 18 1 1 A 63 63 SER H H 43 7.800 8.941 -1.141 1 1 502 . 18 1 1 A 63 63 SER HA H 43 4.400 4.767 -0.367 1 1 505 . 18 1 1 A 63 63 SER C C 43 177.320 174.016 3.304 1 1 506 . 18 1 1 A 63 63 SER CA C 43 58.730 60.495 -1.765 1 1 507 . 18 1 1 A 63 63 SER CB C 43 64.210 32.383 31.827 1 1 508 . 18 1 1 A 63 63 SER N N 43 114.610 126.476 -11.866 1 1 509 . 18 1 1 A 64 64 ILE H H 44 8.710 8.848 -0.138 1 1 510 . 18 1 1 A 64 64 ILE HA H 44 4.180 4.547 -0.367 1 1 520 . 18 1 1 A 64 64 ILE C C 44 176.550 176.040 0.510 1 1 521 . 18 1 1 A 64 64 ILE CA C 44 63.280 60.508 2.772 1 1 522 . 18 1 1 A 64 64 ILE CB C 44 38.110 39.954 -1.844 1 1 526 . 18 1 1 A 64 64 ILE N N 44 125.240 130.607 -5.367 1 1 527 . 18 1 1 A 65 65 LEU H H 45 8.160 9.428 -1.268 1 1 528 . 18 1 1 A 65 65 LEU HA H 45 4.450 4.304 0.146 1 1 538 . 18 1 1 A 65 65 LEU C C 45 177.800 175.391 2.409 1 1 539 . 18 1 1 A 65 65 LEU CA C 45 54.820 55.144 -0.324 1 1 540 . 18 1 1 A 65 65 LEU CB C 45 41.790 39.802 1.988 1 1 544 . 18 1 1 A 65 65 LEU N N 45 118.980 127.960 -8.980 1 1 545 . 18 1 1 A 66 66 ALA H H 46 7.700 8.657 -0.957 1 1 550 . 18 1 1 A 66 66 ALA C C 46 179.870 173.822 6.048 1 1 551 . 18 1 1 A 66 66 ALA CA C 46 54.980 45.459 9.521 1 1 553 . 18 1 1 A 66 66 ALA N N 46 122.830 104.048 18.782 1 1 554 . 18 1 1 A 67 67 GLN H H 47 7.920 7.766 0.154 1 1 555 . 18 1 1 A 67 67 GLN HA H 47 4.110 4.722 -0.612 1 1 562 . 18 1 1 A 67 67 GLN C C 47 175.990 175.148 0.842 1 1 563 . 18 1 1 A 67 67 GLN CA C 47 57.170 53.992 3.178 1 1 564 . 18 1 1 A 67 67 GLN CB C 47 28.180 35.242 -7.062 1 1 566 . 18 1 1 A 67 67 GLN N N 47 115.030 119.877 -4.847 1 1 568 . 18 1 1 A 68 68 PHE H H 48 7.790 8.045 -0.255 1 1 569 . 18 1 1 A 68 68 PHE HA H 48 4.690 4.815 -0.125 1 1 576 . 18 1 1 A 68 68 PHE C C 48 175.620 174.212 1.408 1 1 577 . 18 1 1 A 68 68 PHE CA C 48 57.220 60.755 -3.535 1 1 578 . 18 1 1 A 68 68 PHE CB C 48 39.320 32.893 6.427 1 1 581 . 18 1 1 A 68 68 PHE N N 48 118.560 120.871 -2.311 1 1 582 . 18 1 1 A 69 69 ALA H H 49 7.600 9.128 -1.528 1 1 583 . 18 1 1 A 69 69 ALA HA H 49 4.120 5.436 -1.316 1 1 587 . 18 1 1 A 69 69 ALA C C 49 178.250 174.230 4.020 1 1 588 . 18 1 1 A 69 69 ALA CA C 49 53.920 56.018 -2.098 1 1 589 . 18 1 1 A 69 69 ALA CB C 49 18.660 42.068 -23.408 1 1 590 . 18 1 1 A 69 69 ALA N N 49 123.340 126.283 -2.943 1 1 591 . 18 1 1 A 70 70 GLY H H 50 8.500 8.601 -0.101 1 1 594 . 18 1 1 A 70 70 GLY C C 50 174.070 175.931 -1.861 1 1 595 . 18 1 1 A 70 70 GLY CA C 50 45.390 53.732 -8.342 1 1 596 . 18 1 1 A 70 70 GLY N N 50 108.770 123.342 -14.572 1 1 597 . 18 1 1 A 71 71 GLU H H 51 7.800 8.721 -0.921 1 1 598 . 18 1 1 A 71 71 GLU HA H 51 4.430 4.107 0.323 1 1 603 . 18 1 1 A 71 71 GLU C C 51 176.220 177.665 -1.445 1 1 604 . 18 1 1 A 71 71 GLU CA C 51 55.430 62.848 -7.418 1 1 605 . 18 1 1 A 71 71 GLU CB C 51 30.980 38.585 -7.605 1 1 607 . 18 1 1 A 71 71 GLU N N 51 119.390 126.927 -7.537 1 1 608 . 18 1 1 A 72 72 ASP H H 52 8.830 8.070 0.760 1 1 609 . 18 1 1 A 72 72 ASP HA H 52 4.850 4.090 0.760 1 1 612 . 18 1 1 A 72 72 ASP CA C 52 52.110 59.076 -6.966 1 1 613 . 18 1 1 A 72 72 ASP CB C 52 42.070 31.974 10.096 1 1 614 . 18 1 1 A 72 72 ASP N N 52 123.830 121.502 2.328 1 1 615 . 18 1 1 A 73 73 PRO HA H 53 4.410 4.452 -0.042 1 1 622 . 18 1 1 A 73 73 PRO C C 53 177.290 178.649 -1.359 1 1 623 . 18 1 1 A 73 73 PRO CA C 53 64.940 57.424 7.516 1 1 624 . 18 1 1 A 73 73 PRO CB C 53 32.130 40.630 -8.500 1 1 627 . 18 1 1 A 74 74 VAL H H 54 7.950 8.162 -0.212 1 1 628 . 18 1 1 A 74 74 VAL HA H 54 3.360 3.154 0.206 1 1 636 . 18 1 1 A 74 74 VAL C C 54 177.540 177.465 0.075 1 1 637 . 18 1 1 A 74 74 VAL CA C 54 66.820 61.603 5.217 1 1 638 . 18 1 1 A 74 74 VAL CB C 54 31.310 38.860 -7.550 1 1 641 . 18 1 1 A 74 74 VAL N N 54 118.670 121.373 -2.703 1 1 642 . 18 1 1 A 75 75 VAL H H 55 7.090 8.301 -1.211 1 1 643 . 18 1 1 A 75 75 VAL HA H 55 3.620 4.102 -0.482 1 1 651 . 18 1 1 A 75 75 VAL C C 55 175.050 178.648 -3.598 1 1 652 . 18 1 1 A 75 75 VAL CA C 55 65.440 58.817 6.623 1 1 653 . 18 1 1 A 75 75 VAL CB C 55 32.210 28.474 3.736 1 1 656 . 18 1 1 A 75 75 VAL N N 55 120.340 117.742 2.598 1 1 657 . 18 1 1 A 76 76 ALA H H 56 8.050 7.757 0.293 1 1 658 . 18 1 1 A 76 76 ALA HA H 56 3.870 3.783 0.087 1 1 662 . 18 1 1 A 76 76 ALA C C 56 178.160 176.736 1.424 1 1 663 . 18 1 1 A 76 76 ALA CA C 56 54.840 67.298 -12.458 1 1 664 . 18 1 1 A 76 76 ALA CB C 56 19.250 68.746 -49.496 1 1 665 . 18 1 1 A 76 76 ALA N N 56 121.910 117.602 4.308 1 1 666 . 18 1 1 A 77 77 LEU H H 57 7.720 7.509 0.211 1 1 667 . 18 1 1 A 77 77 LEU HA H 57 3.170 4.231 -1.061 1 1 677 . 18 1 1 A 77 77 LEU C C 57 178.010 177.953 0.057 1 1 678 . 18 1 1 A 77 77 LEU CA C 57 58.260 57.978 0.282 1 1 679 . 18 1 1 A 77 77 LEU CB C 57 39.970 28.257 11.713 1 1 683 . 18 1 1 A 77 77 LEU N N 57 120.030 119.182 0.848 1 1 684 . 18 1 1 A 78 78 GLU H H 58 7.840 7.667 0.173 1 1 685 . 18 1 1 A 78 78 GLU HA H 58 3.510 4.137 -0.627 1 1 690 . 18 1 1 A 78 78 GLU C C 58 179.140 175.823 3.317 1 1 691 . 18 1 1 A 78 78 GLU CA C 58 60.290 60.922 -0.632 1 1 692 . 18 1 1 A 78 78 GLU CB C 58 29.420 62.995 -33.575 1 1 694 . 18 1 1 A 78 78 GLU N N 58 116.990 115.074 1.916 1 1 695 . 18 1 1 A 79 79 ALA H H 59 7.710 7.229 0.481 1 1 696 . 18 1 1 A 79 79 ALA HA H 59 3.940 4.343 -0.403 1 1 700 . 18 1 1 A 79 79 ALA C C 59 180.360 176.028 4.332 1 1 701 . 18 1 1 A 79 79 ALA CA C 59 54.790 54.544 0.246 1 1 702 . 18 1 1 A 79 79 ALA CB C 59 17.930 41.455 -23.525 1 1 703 . 18 1 1 A 79 79 ALA N N 59 120.690 118.825 1.865 1 1 704 . 18 1 1 A 80 80 ALA H H 60 8.220 7.424 0.796 1 1 705 . 18 1 1 A 80 80 ALA HA H 60 3.970 4.607 -0.637 1 1 709 . 18 1 1 A 80 80 ALA C C 60 180.570 175.182 5.388 1 1 710 . 18 1 1 A 80 80 ALA CA C 60 54.160 61.658 -7.498 1 1 711 . 18 1 1 A 80 80 ALA CB C 60 18.830 70.464 -51.634 1 1 712 . 18 1 1 A 80 80 ALA N N 60 122.230 114.962 7.268 1 1 713 . 18 1 1 A 81 81 LEU H H 61 7.800 8.979 -1.179 1 1 714 . 18 1 1 A 81 81 LEU HA H 61 3.890 4.093 -0.203 1 1 724 . 18 1 1 A 81 81 LEU C C 61 177.590 177.784 -0.194 1 1 725 . 18 1 1 A 81 81 LEU CA C 61 56.650 59.297 -2.647 1 1 726 . 18 1 1 A 81 81 LEU CB C 61 42.630 29.007 13.623 1 1 730 . 18 1 1 A 81 81 LEU N N 61 116.150 124.078 -7.928 1 1 731 . 18 1 1 A 82 82 GLN H H 62 7.450 7.766 -0.316 1 1 732 . 18 1 1 A 82 82 GLN HA H 62 4.250 4.760 -0.510 1 1 739 . 18 1 1 A 82 82 GLN C C 62 176.120 175.579 0.541 1 1 740 . 18 1 1 A 82 82 GLN CA C 62 55.880 53.988 1.892 1 1 741 . 18 1 1 A 82 82 GLN CB C 62 29.330 38.765 -9.435 1 1 743 . 18 1 1 A 82 82 GLN N N 62 115.740 116.536 -0.796 1 1 745 . 18 1 1 A 83 83 PHE H H 63 7.300 7.452 -0.152 1 1 746 . 18 1 1 A 83 83 PHE HA H 63 4.900 4.449 0.451 1 1 753 . 18 1 1 A 83 83 PHE C C 63 176.470 175.606 0.864 1 1 754 . 18 1 1 A 83 83 PHE CA C 63 56.260 58.793 -2.533 1 1 755 . 18 1 1 A 83 83 PHE CB C 63 39.000 64.215 -25.215 1 1 758 . 18 1 1 A 83 83 PHE N N 63 120.420 115.451 4.969 1 1 759 . 18 1 1 A 84 84 GLU H H 64 9.090 8.867 0.223 1 1 760 . 18 1 1 A 84 84 GLU HA H 64 3.850 3.839 0.011 1 1 765 . 18 1 1 A 84 84 GLU C C 64 178.010 177.193 0.817 1 1 766 . 18 1 1 A 84 84 GLU CA C 64 59.910 64.319 -4.409 1 1 767 . 18 1 1 A 84 84 GLU CB C 64 29.640 37.897 -8.257 1 1 769 . 18 1 1 A 84 84 GLU N N 64 126.260 124.426 1.834 1 1 770 . 18 1 1 A 85 85 ASP H H 65 7.670 8.104 -0.434 1 1 771 . 18 1 1 A 85 85 ASP HA H 65 4.480 4.577 -0.097 1 1 774 . 18 1 1 A 85 85 ASP C C 65 177.530 178.772 -1.242 1 1 775 . 18 1 1 A 85 85 ASP CA C 65 56.290 56.315 -0.025 1 1 776 . 18 1 1 A 85 85 ASP CB C 65 40.480 41.051 -0.571 1 1 777 . 18 1 1 A 85 85 ASP N N 65 114.070 121.625 -7.555 1 1 778 . 18 1 1 A 86 86 THR H H 66 7.560 7.649 -0.089 1 1 779 . 18 1 1 A 86 86 THR HA H 66 4.530 4.034 0.496 1 1 784 . 18 1 1 A 86 86 THR C C 66 176.820 179.949 -3.129 1 1 785 . 18 1 1 A 86 86 THR CA C 66 62.380 55.179 7.201 1 1 786 . 18 1 1 A 86 86 THR CB C 66 70.200 17.962 52.238 1 1 788 . 18 1 1 A 86 86 THR N N 66 106.640 122.560 -15.920 1 1 789 . 18 1 1 A 87 87 ARG H H 67 8.100 7.965 0.135 1 1 790 . 18 1 1 A 87 87 ARG HA H 67 4.020 4.090 -0.070 1 1 797 . 18 1 1 A 87 87 ARG C C 67 178.760 176.404 2.356 1 1 798 . 18 1 1 A 87 87 ARG CA C 67 61.140 57.668 3.472 1 1 799 . 18 1 1 A 87 87 ARG CB C 67 30.220 27.255 2.965 1 1 802 . 18 1 1 A 87 87 ARG N N 67 124.220 115.701 8.519 1 1 803 . 18 1 1 A 88 88 GLU H H 68 8.790 7.836 0.954 1 1 804 . 18 1 1 A 88 88 GLU HA H 68 4.090 4.566 -0.476 1 1 809 . 18 1 1 A 88 88 GLU C C 68 179.320 175.741 3.579 1 1 810 . 18 1 1 A 88 88 GLU CA C 68 59.150 58.044 1.106 1 1 811 . 18 1 1 A 88 88 GLU CB C 68 28.930 38.858 -9.928 1 1 813 . 18 1 1 A 88 88 GLU N N 68 118.790 117.753 1.037 1 1 814 . 18 1 1 A 89 89 SER H H 69 8.140 7.637 0.503 1 1 815 . 18 1 1 A 89 89 SER HA H 69 4.390 4.130 0.260 1 1 818 . 18 1 1 A 89 89 SER C C 69 176.100 178.237 -2.137 1 1 819 . 18 1 1 A 89 89 SER CA C 69 61.000 54.066 6.934 1 1 820 . 18 1 1 A 89 89 SER CB C 69 63.190 18.405 44.785 1 1 821 . 18 1 1 A 89 89 SER N N 69 115.570 123.191 -7.621 1 1 822 . 18 1 1 A 90 90 MET H H 70 7.690 8.920 -1.230 1 1 831 . 18 1 1 A 90 90 MET C C 70 177.990 174.369 3.621 1 1 832 . 18 1 1 A 90 90 MET CA C 70 55.140 45.072 10.068 1 1 836 . 18 1 1 A 90 90 MET N N 70 118.160 111.550 6.610 1 1 837 . 18 1 1 A 91 91 HIS H H 71 7.740 7.777 -0.037 1 1 838 . 18 1 1 A 91 91 HIS HA H 71 4.430 4.436 -0.006 1 1 842 . 18 1 1 A 91 91 HIS C C 71 177.460 175.615 1.845 1 1 843 . 18 1 1 A 91 91 HIS CA C 71 58.830 55.960 2.870 1 1 844 . 18 1 1 A 91 91 HIS CB C 71 29.680 31.190 -1.510 1 1 846 . 18 1 1 A 91 91 HIS N N 71 118.990 121.867 -2.877 1 1 847 . 18 1 1 A 92 92 ALA H H 72 7.230 8.404 -1.174 1 1 848 . 18 1 1 A 92 92 ALA HA H 72 3.900 4.657 -0.757 1 1 852 . 18 1 1 A 92 92 ALA C C 72 177.850 176.470 1.380 1 1 853 . 18 1 1 A 92 92 ALA CA C 72 53.840 52.030 1.810 1 1 854 . 18 1 1 A 92 92 ALA CB C 72 18.250 41.979 -23.729 1 1 855 . 18 1 1 A 92 92 ALA N N 72 120.170 125.777 -5.607 1 1 857 . 18 1 1 A 93 93 PHE HA H 73 4.970 3.789 1.181 1 1 865 . 18 1 1 A 93 93 PHE C C 73 174.000 178.404 -4.404 1 1 866 . 18 1 1 A 93 93 PHE CA C 73 56.420 64.796 -8.376 1 1 867 . 18 1 1 A 93 93 PHE CB C 73 39.050 31.381 7.669 1 1 871 . 18 1 1 A 93 93 PHE N N 73 113.910 141.626 -27.716 1 1 872 . 18 1 1 A 94 94 CYS H H 74 7.690 6.897 0.793 1 1 873 . 18 1 1 A 94 94 CYS HA H 74 4.120 3.469 0.651 1 1 876 . 18 1 1 A 94 94 CYS C C 74 174.900 177.715 -2.815 1 1 877 . 18 1 1 A 94 94 CYS CA C 74 58.200 65.174 -6.974 1 1 878 . 18 1 1 A 94 94 CYS CB C 74 27.320 31.538 -4.218 1 1 879 . 18 1 1 A 94 94 CYS N N 74 121.190 116.150 5.040 1 1 880 . 18 1 1 A 95 95 VAL H H 75 8.770 7.823 0.947 1 1 881 . 18 1 1 A 95 95 VAL HA H 75 3.820 3.977 -0.157 1 1 889 . 18 1 1 A 95 95 VAL C C 75 175.640 177.177 -1.537 1 1 890 . 18 1 1 A 95 95 VAL CA C 75 62.250 64.769 -2.519 1 1 891 . 18 1 1 A 95 95 VAL CB C 75 32.280 31.418 0.862 1 1 894 . 18 1 1 A 95 95 VAL N N 75 128.310 120.212 8.098 1 1 895 . 18 1 1 A 96 96 GLY H H 76 7.130 7.876 -0.746 1 1 898 . 18 1 1 A 96 96 GLY C C 76 171.220 179.451 -8.231 1 1 899 . 18 1 1 A 96 96 GLY CA C 76 44.940 55.042 -10.102 1 1 900 . 18 1 1 A 96 96 GLY N N 76 105.330 123.821 -18.491 1 1 901 . 18 1 1 A 97 97 GLN H H 77 8.590 7.391 1.199 1 1 902 . 18 1 1 A 97 97 GLN HA H 77 4.460 4.042 0.418 1 1 909 . 18 1 1 A 97 97 GLN C C 77 174.070 178.666 -4.596 1 1 910 . 18 1 1 A 97 97 GLN CA C 77 54.860 57.179 -2.319 1 1 911 . 18 1 1 A 97 97 GLN CB C 77 30.820 41.667 -10.847 1 1 913 . 18 1 1 A 97 97 GLN N N 77 120.500 120.266 0.234 1 1 915 . 18 1 1 A 98 98 TYR H H 78 8.440 8.289 0.151 1 1 916 . 18 1 1 A 98 98 TYR HA H 78 4.960 3.961 0.999 1 1 923 . 18 1 1 A 98 98 TYR C C 78 174.460 179.191 -4.731 1 1 924 . 18 1 1 A 98 98 TYR CA C 78 56.660 58.953 -2.293 1 1 925 . 18 1 1 A 98 98 TYR CB C 78 40.450 29.630 10.820 1 1 928 . 18 1 1 A 98 98 TYR N N 78 125.460 119.118 6.342 1 1 929 . 18 1 1 A 99 99 LEU H H 79 8.100 8.019 0.081 1 1 930 . 18 1 1 A 99 99 LEU HA H 79 4.360 4.108 0.252 1 1 940 . 18 1 1 A 99 99 LEU C C 79 173.790 180.016 -6.226 1 1 941 . 18 1 1 A 99 99 LEU CA C 79 53.110 54.794 -1.684 1 1 942 . 18 1 1 A 99 99 LEU CB C 79 43.200 18.199 25.001 1 1 946 . 18 1 1 A 99 99 LEU N N 79 131.670 122.810 8.860 1 1 947 . 18 1 1 A 100 100 GLU H H 80 8.160 7.510 0.650 1 1 948 . 18 1 1 A 100 100 GLU HA H 80 4.140 4.537 -0.397 1 1 953 . 18 1 1 A 100 100 GLU CA C 80 54.540 55.091 -0.551 1 1 954 . 18 1 1 A 100 100 GLU CB C 80 29.270 18.385 10.885 1 1 956 . 18 1 1 A 100 100 GLU N N 80 125.120 120.396 4.724 1 1 957 . 18 1 1 A 101 101 PRO HA H 81 4.380 3.981 0.399 1 1 964 . 18 1 1 A 101 101 PRO C C 81 177.370 179.374 -2.004 1 1 965 . 18 1 1 A 101 101 PRO CA C 81 64.050 57.695 6.355 1 1 966 . 18 1 1 A 101 101 PRO CB C 81 32.130 41.191 -9.061 1 1 969 . 18 1 1 A 102 102 ASP H H 82 8.430 7.611 0.819 1 1 970 . 18 1 1 A 102 102 ASP HA H 82 4.550 4.088 0.462 1 1 973 . 18 1 1 A 102 102 ASP C C 82 176.950 176.857 0.093 1 1 974 . 18 1 1 A 102 102 ASP CA C 82 54.680 59.310 -4.630 1 1 975 . 18 1 1 A 102 102 ASP CB C 82 40.630 28.971 11.659 1 1 976 . 18 1 1 A 102 102 ASP N N 82 118.470 118.575 -0.105 1 1 977 . 18 1 1 A 103 103 GLN H H 83 8.230 7.675 0.555 1 1 978 . 18 1 1 A 103 103 GLN HA H 83 4.340 4.815 -0.475 1 1 985 . 18 1 1 A 103 103 GLN C C 83 176.210 176.582 -0.372 1 1 986 . 18 1 1 A 103 103 GLN CA C 83 55.640 57.166 -1.526 1 1 987 . 18 1 1 A 103 103 GLN CB C 83 29.630 39.354 -9.724 1 1 989 . 18 1 1 A 103 103 GLN N N 83 119.650 120.281 -0.631 1 1 991 . 18 1 1 A 104 104 GLU H H 84 8.250 8.607 -0.357 1 1 992 . 18 1 1 A 104 104 GLU HA H 84 4.220 4.009 0.211 1 1 997 . 18 1 1 A 104 104 GLU C C 84 177.100 177.774 -0.674 1 1 998 . 18 1 1 A 104 104 GLU CA C 84 57.220 59.056 -1.836 1 1 999 . 18 1 1 A 104 104 GLU CB C 84 30.320 28.932 1.388 1 1 1001 . 18 1 1 A 104 104 GLU N N 84 121.670 126.527 -4.857 1 1 1002 . 18 1 1 A 105 105 GLY H H 85 8.450 7.158 1.292 1 1 1005 . 18 1 1 A 105 105 GLY C C 85 174.000 177.800 -3.800 1 1 1006 . 18 1 1 A 105 105 GLY CA C 85 45.410 56.406 -10.996 1 1 1007 . 18 1 1 A 105 105 GLY N N 85 109.870 119.385 -9.515 1 1 1008 . 18 1 1 A 106 106 VAL H H 86 7.900 7.513 0.387 1 1 1009 . 18 1 1 A 106 106 VAL HA H 86 4.190 4.412 -0.222 1 1 1017 . 18 1 1 A 106 106 VAL C C 86 176.300 176.212 0.088 1 1 1018 . 18 1 1 A 106 106 VAL CA C 86 62.190 63.774 -1.584 1 1 1019 . 18 1 1 A 106 106 VAL CB C 86 32.860 69.325 -36.465 1 1 1022 . 18 1 1 A 106 106 VAL N N 86 119.330 110.904 8.426 1 1 1023 . 18 1 1 A 107 107 THR H H 87 8.320 8.417 -0.097 1 1 1024 . 18 1 1 A 107 107 THR HA H 87 4.350 4.194 0.156 1 1 1029 . 18 1 1 A 107 107 THR C C 87 174.050 178.034 -3.984 1 1 1030 . 18 1 1 A 107 107 THR CA C 87 61.870 57.872 3.998 1 1 1031 . 18 1 1 A 107 107 THR CB C 87 69.910 29.345 40.565 1 1 1033 . 18 1 1 A 107 107 THR N N 87 119.480 122.818 -3.338 1 1 1034 . 18 1 1 A 108 108 ILE H H 88 8.360 8.467 -0.107 1 1 1035 . 18 1 1 A 108 108 ILE HA H 88 4.470 4.046 0.424 1 1 1045 . 18 1 1 A 108 108 ILE CA C 88 58.410 59.547 -1.137 1 1 1046 . 18 1 1 A 108 108 ILE CB C 88 38.530 29.291 9.239 1 1 1050 . 18 1 1 A 108 108 ILE N N 88 126.140 119.253 6.887 1 1 1051 . 18 1 1 A 109 109 PRO HA H 89 4.380 4.082 0.298 1 1 1058 . 18 1 1 A 109 109 PRO C C 89 176.290 176.874 -0.584 1 1 1059 . 18 1 1 A 109 109 PRO CA C 89 63.210 61.224 1.986 1 1 1060 . 18 1 1 A 109 109 PRO CB C 89 32.220 62.990 -30.770 1 1 1063 . 18 1 1 A 110 110 ASP H H 90 8.370 8.340 0.030 1 1 1064 . 18 1 1 A 110 110 ASP HA H 90 4.580 4.727 -0.147 1 1 1067 . 18 1 1 A 110 110 ASP C C 90 176.200 178.734 -2.534 1 1 1068 . 18 1 1 A 110 110 ASP CA C 90 54.290 57.484 -3.194 1 1 1069 . 18 1 1 A 110 110 ASP CB C 90 41.120 31.436 9.684 1 1 1070 . 18 1 1 A 110 110 ASP N N 90 120.470 119.688 0.782 1 1 1071 . 18 1 1 A 111 111 LEU H H 91 8.250 8.130 0.120 1 1 1072 . 18 1 1 A 111 111 LEU HA H 91 4.370 4.277 0.093 1 1 1081 . 18 1 1 A 111 111 LEU C C 91 177.040 177.866 -0.826 1 1 1082 . 18 1 1 A 111 111 LEU CA C 91 55.060 59.214 -4.154 1 1 1083 . 18 1 1 A 111 111 LEU CB C 91 42.290 29.436 12.854 1 1 1086 . 18 1 1 A 111 111 LEU N N 91 123.570 120.642 2.928 1 1 1087 . 18 1 1 A 112 112 GLY H H 92 8.080 7.887 0.193 1 1 1090 . 18 1 1 A 112 112 GLY CA C 92 46.190 54.758 -8.568 1 1 246 . 19 1 1 A 42 42 THR H H 22 8.820 7.916 0.904 1 1 247 . 19 1 1 A 42 42 THR HA H 22 4.800 4.358 0.442 1 1 252 . 19 1 1 A 42 42 THR C C 22 170.950 175.816 -4.866 1 1 253 . 19 1 1 A 42 42 THR CA C 22 60.870 55.708 5.162 1 1 254 . 19 1 1 A 42 42 THR CB C 22 71.510 32.112 39.398 1 1 256 . 19 1 1 A 42 42 THR N N 22 116.000 119.435 -3.435 1 1 257 . 19 1 1 A 43 43 VAL H H 23 8.140 8.395 -0.255 1 1 258 . 19 1 1 A 43 43 VAL HA H 23 4.830 4.143 0.687 1 1 266 . 19 1 1 A 43 43 VAL C C 23 176.470 176.061 0.409 1 1 267 . 19 1 1 A 43 43 VAL CA C 23 61.540 62.496 -0.956 1 1 268 . 19 1 1 A 43 43 VAL CB C 23 32.270 32.782 -0.512 1 1 271 . 19 1 1 A 43 43 VAL N N 23 125.850 126.540 -0.690 1 1 272 . 19 1 1 A 44 44 ILE H H 24 9.350 8.577 0.773 1 1 273 . 19 1 1 A 44 44 ILE HA H 24 4.220 4.201 0.019 1 1 283 . 19 1 1 A 44 44 ILE C C 24 176.050 174.169 1.881 1 1 284 . 19 1 1 A 44 44 ILE CA C 24 60.880 63.657 -2.777 1 1 285 . 19 1 1 A 44 44 ILE CB C 24 40.830 68.786 -27.956 1 1 289 . 19 1 1 A 44 44 ILE N N 24 128.460 122.832 5.628 1 1 290 . 19 1 1 A 45 45 ASP H H 25 9.450 8.715 0.735 1 1 291 . 19 1 1 A 45 45 ASP HA H 25 4.320 4.796 -0.476 1 1 294 . 19 1 1 A 45 45 ASP C C 25 176.060 175.949 0.111 1 1 295 . 19 1 1 A 45 45 ASP CA C 25 55.170 54.484 0.686 1 1 296 . 19 1 1 A 45 45 ASP CB C 25 39.870 40.934 -1.064 1 1 297 . 19 1 1 A 45 45 ASP N N 25 129.730 128.609 1.121 1 1 298 . 19 1 1 A 46 46 GLY H H 26 8.360 8.843 -0.483 1 1 301 . 19 1 1 A 46 46 GLY C C 26 173.150 175.867 -2.717 1 1 302 . 19 1 1 A 46 46 GLY CA C 26 46.190 61.426 -15.236 1 1 303 . 19 1 1 A 46 46 GLY N N 26 102.380 125.820 -23.440 1 1 304 . 19 1 1 A 47 47 LYS H H 27 8.000 8.473 -0.473 1 1 305 . 19 1 1 A 47 47 LYS HA H 27 4.780 4.641 0.139 1 1 314 . 19 1 1 A 47 47 LYS C C 27 177.050 176.679 0.371 1 1 315 . 19 1 1 A 47 47 LYS CA C 27 54.870 54.770 0.100 1 1 316 . 19 1 1 A 47 47 LYS CB C 27 36.020 32.419 3.601 1 1 320 . 19 1 1 A 47 47 LYS N N 27 121.330 124.717 -3.387 1 1 321 . 19 1 1 A 48 48 VAL H H 28 8.160 8.868 -0.708 1 1 322 . 19 1 1 A 48 48 VAL HA H 28 4.450 4.045 0.405 1 1 330 . 19 1 1 A 48 48 VAL C C 28 174.640 177.810 -3.170 1 1 331 . 19 1 1 A 48 48 VAL CA C 28 60.800 64.493 -3.693 1 1 332 . 19 1 1 A 48 48 VAL CB C 28 32.310 37.767 -5.457 1 1 335 . 19 1 1 A 48 48 VAL N N 28 119.880 120.949 -1.069 1 1 336 . 19 1 1 A 49 49 TYR H H 29 9.130 8.421 0.709 1 1 337 . 19 1 1 A 49 49 TYR HA H 29 5.200 4.202 0.998 1 1 344 . 19 1 1 A 49 49 TYR C C 29 174.540 179.549 -5.009 1 1 345 . 19 1 1 A 49 49 TYR CA C 29 56.640 55.431 1.209 1 1 346 . 19 1 1 A 49 49 TYR CB C 29 43.420 17.895 25.525 1 1 349 . 19 1 1 A 49 49 TYR N N 29 124.890 123.118 1.772 1 1 350 . 19 1 1 A 50 50 ASP H H 30 9.000 7.974 1.026 1 1 351 . 19 1 1 A 50 50 ASP HA H 30 5.330 4.396 0.934 1 1 354 . 19 1 1 A 50 50 ASP C C 30 176.020 178.780 -2.760 1 1 355 . 19 1 1 A 50 50 ASP CA C 30 53.180 56.960 -3.780 1 1 356 . 19 1 1 A 50 50 ASP CB C 30 40.910 41.291 -0.381 1 1 357 . 19 1 1 A 50 50 ASP N N 30 119.790 118.268 1.522 1 1 358 . 19 1 1 A 51 51 ILE H H 31 8.700 8.314 0.386 1 1 359 . 19 1 1 A 51 51 ILE HA H 31 3.710 4.149 -0.439 1 1 369 . 19 1 1 A 51 51 ILE C C 31 178.070 179.334 -1.264 1 1 370 . 19 1 1 A 51 51 ILE CA C 31 60.750 58.144 2.606 1 1 371 . 19 1 1 A 51 51 ILE CB C 31 35.230 41.600 -6.370 1 1 375 . 19 1 1 A 51 51 ILE N N 31 125.270 119.743 5.527 1 1 376 . 19 1 1 A 52 52 LYS H H 32 8.030 7.887 0.143 1 1 377 . 19 1 1 A 52 52 LYS HA H 32 4.340 3.913 0.427 1 1 386 . 19 1 1 A 52 52 LYS C C 32 179.540 179.601 -0.061 1 1 387 . 19 1 1 A 52 52 LYS CA C 32 59.380 59.869 -0.489 1 1 388 . 19 1 1 A 52 52 LYS CB C 32 31.930 29.297 2.633 1 1 392 . 19 1 1 A 52 52 LYS N N 32 120.520 117.454 3.066 1 1 393 . 19 1 1 A 53 53 ASP H H 33 7.810 8.075 -0.265 1 1 394 . 19 1 1 A 53 53 ASP HA H 33 4.620 4.402 0.218 1 1 397 . 19 1 1 A 53 53 ASP C C 33 177.670 177.965 -0.295 1 1 398 . 19 1 1 A 53 53 ASP CA C 33 56.840 56.238 0.602 1 1 399 . 19 1 1 A 53 53 ASP CB C 33 41.220 38.186 3.034 1 1 400 . 19 1 1 A 53 53 ASP N N 33 120.590 117.949 2.641 1 1 401 . 19 1 1 A 54 54 PHE H H 34 7.660 7.983 -0.323 1 1 402 . 19 1 1 A 54 54 PHE HA H 34 3.100 3.948 -0.848 1 1 410 . 19 1 1 A 54 54 PHE C C 34 176.960 176.827 0.133 1 1 411 . 19 1 1 A 54 54 PHE CA C 34 60.670 59.358 1.312 1 1 412 . 19 1 1 A 54 54 PHE CB C 34 38.870 29.112 9.758 1 1 416 . 19 1 1 A 54 54 PHE N N 34 120.480 120.623 -0.143 1 1 417 . 19 1 1 A 55 55 GLN H H 35 8.860 8.222 0.638 1 1 418 . 19 1 1 A 55 55 GLN HA H 35 3.660 4.379 -0.719 1 1 425 . 19 1 1 A 55 55 GLN C C 35 178.510 177.736 0.774 1 1 426 . 19 1 1 A 55 55 GLN CA C 35 58.980 56.642 2.338 1 1 427 . 19 1 1 A 55 55 GLN CB C 35 29.450 38.928 -9.478 1 1 429 . 19 1 1 A 55 55 GLN N N 35 119.060 116.940 2.120 1 1 431 . 19 1 1 A 56 56 THR H H 36 8.150 7.588 0.562 1 1 432 . 19 1 1 A 56 56 THR HA H 36 3.930 4.578 -0.648 1 1 437 . 19 1 1 A 56 56 THR C C 36 176.550 177.508 -0.958 1 1 438 . 19 1 1 A 56 56 THR CA C 36 66.070 55.389 10.681 1 1 439 . 19 1 1 A 56 56 THR CB C 36 69.030 38.291 30.739 1 1 441 . 19 1 1 A 56 56 THR N N 36 115.130 116.199 -1.069 1 1 442 . 19 1 1 A 57 57 GLN H H 37 8.230 7.484 0.746 1 1 443 . 19 1 1 A 57 57 GLN HA H 37 4.210 4.498 -0.288 1 1 450 . 19 1 1 A 57 57 GLN CA C 37 58.050 54.530 3.520 1 1 451 . 19 1 1 A 57 57 GLN CB C 37 28.290 41.136 -12.846 1 1 453 . 19 1 1 A 57 57 GLN N N 37 119.670 117.233 2.437 1 1 458 . 19 1 1 A 58 58 SER C C 38 174.020 174.252 -0.232 1 1 459 . 19 1 1 A 58 58 SER CA C 38 60.500 45.302 15.198 1 1 461 . 19 1 1 A 59 59 LEU H H 39 7.320 7.438 -0.118 1 1 465 . 19 1 1 A 59 59 LEU CA C 39 55.140 44.888 10.252 1 1 467 . 19 1 1 A 59 59 LEU N N 39 120.250 106.509 13.741 1 1 468 . 19 1 1 A 60 60 THR H H 40 7.510 9.175 -1.665 1 1 469 . 19 1 1 A 60 60 THR HA H 40 4.250 4.819 -0.569 1 1 474 . 19 1 1 A 60 60 THR C C 40 174.900 174.460 0.440 1 1 475 . 19 1 1 A 60 60 THR CA C 40 62.320 58.401 3.919 1 1 476 . 19 1 1 A 60 60 THR CB C 40 70.110 39.933 30.177 1 1 478 . 19 1 1 A 60 60 THR N N 40 112.820 126.646 -13.826 1 1 479 . 19 1 1 A 61 61 GLU H H 41 8.510 8.787 -0.277 1 1 480 . 19 1 1 A 61 61 GLU HA H 41 4.100 5.579 -1.479 1 1 485 . 19 1 1 A 61 61 GLU C C 41 176.720 175.152 1.568 1 1 486 . 19 1 1 A 61 61 GLU CA C 41 57.840 56.153 1.687 1 1 487 . 19 1 1 A 61 61 GLU CB C 41 29.840 32.414 -2.574 1 1 489 . 19 1 1 A 61 61 GLU N N 41 123.410 127.199 -3.789 1 1 490 . 19 1 1 A 62 62 ASN H H 42 8.600 8.522 0.078 1 1 491 . 19 1 1 A 62 62 ASN HA H 42 4.580 4.934 -0.354 1 1 496 . 19 1 1 A 62 62 ASN C C 42 174.940 172.402 2.538 1 1 497 . 19 1 1 A 62 62 ASN CA C 42 53.760 60.040 -6.280 1 1 498 . 19 1 1 A 62 62 ASN CB C 42 38.130 71.267 -33.137 1 1 499 . 19 1 1 A 62 62 ASN N N 42 117.760 115.030 2.730 1 1 501 . 19 1 1 A 63 63 SER H H 43 7.800 8.512 -0.712 1 1 502 . 19 1 1 A 63 63 SER HA H 43 4.400 4.725 -0.325 1 1 505 . 19 1 1 A 63 63 SER C C 43 177.320 174.397 2.923 1 1 506 . 19 1 1 A 63 63 SER CA C 43 58.730 61.152 -2.422 1 1 507 . 19 1 1 A 63 63 SER CB C 43 64.210 32.784 31.426 1 1 508 . 19 1 1 A 63 63 SER N N 43 114.610 123.270 -8.660 1 1 509 . 19 1 1 A 64 64 ILE H H 44 8.710 8.911 -0.201 1 1 510 . 19 1 1 A 64 64 ILE HA H 44 4.180 4.443 -0.263 1 1 520 . 19 1 1 A 64 64 ILE C C 44 176.550 176.180 0.370 1 1 521 . 19 1 1 A 64 64 ILE CA C 44 63.280 60.041 3.239 1 1 522 . 19 1 1 A 64 64 ILE CB C 44 38.110 37.729 0.381 1 1 526 . 19 1 1 A 64 64 ILE N N 44 125.240 127.642 -2.402 1 1 527 . 19 1 1 A 65 65 LEU H H 45 8.160 9.292 -1.132 1 1 528 . 19 1 1 A 65 65 LEU HA H 45 4.450 4.262 0.188 1 1 538 . 19 1 1 A 65 65 LEU C C 45 177.800 175.266 2.534 1 1 539 . 19 1 1 A 65 65 LEU CA C 45 54.820 55.109 -0.289 1 1 540 . 19 1 1 A 65 65 LEU CB C 45 41.790 39.934 1.856 1 1 544 . 19 1 1 A 65 65 LEU N N 45 118.980 128.318 -9.338 1 1 545 . 19 1 1 A 66 66 ALA H H 46 7.700 8.652 -0.952 1 1 550 . 19 1 1 A 66 66 ALA C C 46 179.870 173.843 6.027 1 1 551 . 19 1 1 A 66 66 ALA CA C 46 54.980 45.511 9.469 1 1 553 . 19 1 1 A 66 66 ALA N N 46 122.830 104.405 18.425 1 1 554 . 19 1 1 A 67 67 GLN H H 47 7.920 7.684 0.236 1 1 555 . 19 1 1 A 67 67 GLN HA H 47 4.110 4.834 -0.724 1 1 562 . 19 1 1 A 67 67 GLN C C 47 175.990 175.074 0.916 1 1 563 . 19 1 1 A 67 67 GLN CA C 47 57.170 54.240 2.930 1 1 564 . 19 1 1 A 67 67 GLN CB C 47 28.180 35.293 -7.113 1 1 566 . 19 1 1 A 67 67 GLN N N 47 115.030 120.606 -5.576 1 1 568 . 19 1 1 A 68 68 PHE H H 48 7.790 8.437 -0.647 1 1 569 . 19 1 1 A 68 68 PHE HA H 48 4.690 4.847 -0.157 1 1 576 . 19 1 1 A 68 68 PHE C C 48 175.620 174.463 1.157 1 1 577 . 19 1 1 A 68 68 PHE CA C 48 57.220 61.014 -3.794 1 1 578 . 19 1 1 A 68 68 PHE CB C 48 39.320 32.701 6.619 1 1 581 . 19 1 1 A 68 68 PHE N N 48 118.560 123.189 -4.629 1 1 582 . 19 1 1 A 69 69 ALA H H 49 7.600 9.060 -1.460 1 1 583 . 19 1 1 A 69 69 ALA HA H 49 4.120 5.102 -0.982 1 1 587 . 19 1 1 A 69 69 ALA C C 49 178.250 173.855 4.395 1 1 588 . 19 1 1 A 69 69 ALA CA C 49 53.920 55.856 -1.936 1 1 589 . 19 1 1 A 69 69 ALA CB C 49 18.660 43.236 -24.576 1 1 590 . 19 1 1 A 69 69 ALA N N 49 123.340 126.787 -3.447 1 1 591 . 19 1 1 A 70 70 GLY H H 50 8.500 8.496 0.004 1 1 594 . 19 1 1 A 70 70 GLY C C 50 174.070 176.745 -2.675 1 1 595 . 19 1 1 A 70 70 GLY CA C 50 45.390 52.727 -7.337 1 1 596 . 19 1 1 A 70 70 GLY N N 50 108.770 122.962 -14.192 1 1 597 . 19 1 1 A 71 71 GLU H H 51 7.800 8.806 -1.006 1 1 598 . 19 1 1 A 71 71 GLU HA H 51 4.430 3.949 0.481 1 1 603 . 19 1 1 A 71 71 GLU C C 51 176.220 178.293 -2.073 1 1 604 . 19 1 1 A 71 71 GLU CA C 51 55.430 65.092 -9.662 1 1 605 . 19 1 1 A 71 71 GLU CB C 51 30.980 37.663 -6.683 1 1 607 . 19 1 1 A 71 71 GLU N N 51 119.390 126.177 -6.787 1 1 608 . 19 1 1 A 72 72 ASP H H 52 8.830 8.149 0.681 1 1 609 . 19 1 1 A 72 72 ASP HA H 52 4.850 4.363 0.487 1 1 612 . 19 1 1 A 72 72 ASP CA C 52 52.110 59.731 -7.621 1 1 613 . 19 1 1 A 72 72 ASP CB C 52 42.070 32.301 9.769 1 1 614 . 19 1 1 A 72 72 ASP N N 52 123.830 122.319 1.511 1 1 615 . 19 1 1 A 73 73 PRO HA H 53 4.410 4.555 -0.145 1 1 622 . 19 1 1 A 73 73 PRO C C 53 177.290 178.677 -1.387 1 1 623 . 19 1 1 A 73 73 PRO CA C 53 64.940 57.486 7.454 1 1 624 . 19 1 1 A 73 73 PRO CB C 53 32.130 41.022 -8.892 1 1 627 . 19 1 1 A 74 74 VAL H H 54 7.950 8.357 -0.407 1 1 628 . 19 1 1 A 74 74 VAL HA H 54 3.360 4.193 -0.833 1 1 636 . 19 1 1 A 74 74 VAL C C 54 177.540 177.859 -0.319 1 1 637 . 19 1 1 A 74 74 VAL CA C 54 66.820 62.098 4.722 1 1 638 . 19 1 1 A 74 74 VAL CB C 54 31.310 39.403 -8.093 1 1 641 . 19 1 1 A 74 74 VAL N N 54 118.670 120.777 -2.107 1 1 642 . 19 1 1 A 75 75 VAL H H 55 7.090 8.588 -1.498 1 1 643 . 19 1 1 A 75 75 VAL HA H 55 3.620 4.049 -0.429 1 1 651 . 19 1 1 A 75 75 VAL C C 55 175.050 178.047 -2.997 1 1 652 . 19 1 1 A 75 75 VAL CA C 55 65.440 58.419 7.021 1 1 653 . 19 1 1 A 75 75 VAL CB C 55 32.210 27.530 4.680 1 1 656 . 19 1 1 A 75 75 VAL N N 55 120.340 117.604 2.736 1 1 657 . 19 1 1 A 76 76 ALA H H 56 8.050 7.801 0.249 1 1 658 . 19 1 1 A 76 76 ALA HA H 56 3.870 3.827 0.043 1 1 662 . 19 1 1 A 76 76 ALA C C 56 178.160 176.895 1.265 1 1 663 . 19 1 1 A 76 76 ALA CA C 56 54.840 67.420 -12.580 1 1 664 . 19 1 1 A 76 76 ALA CB C 56 19.250 68.459 -49.209 1 1 665 . 19 1 1 A 76 76 ALA N N 56 121.910 118.206 3.704 1 1 666 . 19 1 1 A 77 77 LEU H H 57 7.720 7.820 -0.100 1 1 667 . 19 1 1 A 77 77 LEU HA H 57 3.170 4.185 -1.015 1 1 677 . 19 1 1 A 77 77 LEU C C 57 178.010 177.529 0.481 1 1 678 . 19 1 1 A 77 77 LEU CA C 57 58.260 58.373 -0.113 1 1 679 . 19 1 1 A 77 77 LEU CB C 57 39.970 28.260 11.710 1 1 683 . 19 1 1 A 77 77 LEU N N 57 120.030 119.956 0.074 1 1 684 . 19 1 1 A 78 78 GLU H H 58 7.840 7.528 0.312 1 1 685 . 19 1 1 A 78 78 GLU HA H 58 3.510 4.337 -0.827 1 1 690 . 19 1 1 A 78 78 GLU C C 58 179.140 175.803 3.337 1 1 691 . 19 1 1 A 78 78 GLU CA C 58 60.290 59.093 1.197 1 1 692 . 19 1 1 A 78 78 GLU CB C 58 29.420 62.444 -33.024 1 1 694 . 19 1 1 A 78 78 GLU N N 58 116.990 115.188 1.802 1 1 695 . 19 1 1 A 79 79 ALA H H 59 7.710 7.422 0.288 1 1 696 . 19 1 1 A 79 79 ALA HA H 59 3.940 4.075 -0.135 1 1 700 . 19 1 1 A 79 79 ALA C C 59 180.360 176.809 3.551 1 1 701 . 19 1 1 A 79 79 ALA CA C 59 54.790 57.664 -2.874 1 1 702 . 19 1 1 A 79 79 ALA CB C 59 17.930 42.115 -24.185 1 1 703 . 19 1 1 A 79 79 ALA N N 59 120.690 122.006 -1.316 1 1 704 . 19 1 1 A 80 80 ALA H H 60 8.220 7.305 0.915 1 1 705 . 19 1 1 A 80 80 ALA HA H 60 3.970 4.619 -0.649 1 1 709 . 19 1 1 A 80 80 ALA C C 60 180.570 174.846 5.724 1 1 710 . 19 1 1 A 80 80 ALA CA C 60 54.160 60.201 -6.041 1 1 711 . 19 1 1 A 80 80 ALA CB C 60 18.830 70.598 -51.768 1 1 712 . 19 1 1 A 80 80 ALA N N 60 122.230 113.017 9.213 1 1 713 . 19 1 1 A 81 81 LEU H H 61 7.800 8.958 -1.158 1 1 714 . 19 1 1 A 81 81 LEU HA H 61 3.890 4.110 -0.220 1 1 724 . 19 1 1 A 81 81 LEU C C 61 177.590 179.026 -1.436 1 1 725 . 19 1 1 A 81 81 LEU CA C 61 56.650 58.484 -1.834 1 1 726 . 19 1 1 A 81 81 LEU CB C 61 42.630 29.278 13.352 1 1 730 . 19 1 1 A 81 81 LEU N N 61 116.150 125.245 -9.095 1 1 731 . 19 1 1 A 82 82 GLN H H 62 7.450 7.968 -0.518 1 1 732 . 19 1 1 A 82 82 GLN HA H 62 4.250 4.501 -0.251 1 1 739 . 19 1 1 A 82 82 GLN C C 62 176.120 176.286 -0.166 1 1 740 . 19 1 1 A 82 82 GLN CA C 62 55.880 55.699 0.181 1 1 741 . 19 1 1 A 82 82 GLN CB C 62 29.330 38.673 -9.343 1 1 743 . 19 1 1 A 82 82 GLN N N 62 115.740 119.957 -4.217 1 1 745 . 19 1 1 A 83 83 PHE H H 63 7.300 7.641 -0.341 1 1 746 . 19 1 1 A 83 83 PHE HA H 63 4.900 4.480 0.420 1 1 753 . 19 1 1 A 83 83 PHE C C 63 176.470 175.442 1.028 1 1 754 . 19 1 1 A 83 83 PHE CA C 63 56.260 58.568 -2.308 1 1 755 . 19 1 1 A 83 83 PHE CB C 63 39.000 64.173 -25.173 1 1 758 . 19 1 1 A 83 83 PHE N N 63 120.420 114.841 5.579 1 1 759 . 19 1 1 A 84 84 GLU H H 64 9.090 8.861 0.229 1 1 760 . 19 1 1 A 84 84 GLU HA H 64 3.850 3.903 -0.053 1 1 765 . 19 1 1 A 84 84 GLU C C 64 178.010 176.503 1.507 1 1 766 . 19 1 1 A 84 84 GLU CA C 64 59.910 63.664 -3.754 1 1 767 . 19 1 1 A 84 84 GLU CB C 64 29.640 37.860 -8.220 1 1 769 . 19 1 1 A 84 84 GLU N N 64 126.260 123.676 2.584 1 1 770 . 19 1 1 A 85 85 ASP H H 65 7.670 7.418 0.252 1 1 771 . 19 1 1 A 85 85 ASP HA H 65 4.480 4.602 -0.122 1 1 774 . 19 1 1 A 85 85 ASP C C 65 177.530 177.919 -0.389 1 1 775 . 19 1 1 A 85 85 ASP CA C 65 56.290 55.035 1.255 1 1 776 . 19 1 1 A 85 85 ASP CB C 65 40.480 41.071 -0.591 1 1 777 . 19 1 1 A 85 85 ASP N N 65 114.070 121.639 -7.569 1 1 778 . 19 1 1 A 86 86 THR H H 66 7.560 7.585 -0.025 1 1 779 . 19 1 1 A 86 86 THR HA H 66 4.530 4.013 0.517 1 1 784 . 19 1 1 A 86 86 THR C C 66 176.820 179.933 -3.113 1 1 785 . 19 1 1 A 86 86 THR CA C 66 62.380 55.179 7.201 1 1 786 . 19 1 1 A 86 86 THR CB C 66 70.200 17.999 52.201 1 1 788 . 19 1 1 A 86 86 THR N N 66 106.640 123.278 -16.638 1 1 789 . 19 1 1 A 87 87 ARG H H 67 8.100 8.412 -0.312 1 1 790 . 19 1 1 A 87 87 ARG HA H 67 4.020 4.066 -0.046 1 1 797 . 19 1 1 A 87 87 ARG C C 67 178.760 176.161 2.599 1 1 798 . 19 1 1 A 87 87 ARG CA C 67 61.140 57.291 3.849 1 1 799 . 19 1 1 A 87 87 ARG CB C 67 30.220 26.727 3.493 1 1 802 . 19 1 1 A 87 87 ARG N N 67 124.220 115.476 8.744 1 1 803 . 19 1 1 A 88 88 GLU H H 68 8.790 7.738 1.052 1 1 804 . 19 1 1 A 88 88 GLU HA H 68 4.090 4.744 -0.654 1 1 809 . 19 1 1 A 88 88 GLU C C 68 179.320 176.379 2.941 1 1 810 . 19 1 1 A 88 88 GLU CA C 68 59.150 57.503 1.647 1 1 811 . 19 1 1 A 88 88 GLU CB C 68 28.930 39.244 -10.314 1 1 813 . 19 1 1 A 88 88 GLU N N 68 118.790 118.067 0.723 1 1 814 . 19 1 1 A 89 89 SER H H 69 8.140 7.880 0.260 1 1 815 . 19 1 1 A 89 89 SER HA H 69 4.390 4.180 0.210 1 1 818 . 19 1 1 A 89 89 SER C C 69 176.100 179.109 -3.009 1 1 819 . 19 1 1 A 89 89 SER CA C 69 61.000 55.049 5.951 1 1 820 . 19 1 1 A 89 89 SER CB C 69 63.190 18.367 44.823 1 1 821 . 19 1 1 A 89 89 SER N N 69 115.570 123.216 -7.646 1 1 822 . 19 1 1 A 90 90 MET H H 70 7.690 8.179 -0.489 1 1 831 . 19 1 1 A 90 90 MET C C 70 177.990 173.524 4.466 1 1 832 . 19 1 1 A 90 90 MET CA C 70 55.140 45.288 9.852 1 1 836 . 19 1 1 A 90 90 MET N N 70 118.160 105.700 12.460 1 1 837 . 19 1 1 A 91 91 HIS H H 71 7.740 7.655 0.085 1 1 838 . 19 1 1 A 91 91 HIS HA H 71 4.430 4.740 -0.310 1 1 842 . 19 1 1 A 91 91 HIS C C 71 177.460 176.020 1.440 1 1 843 . 19 1 1 A 91 91 HIS CA C 71 58.830 54.972 3.858 1 1 844 . 19 1 1 A 91 91 HIS CB C 71 29.680 31.677 -1.997 1 1 846 . 19 1 1 A 91 91 HIS N N 71 118.990 121.404 -2.414 1 1 847 . 19 1 1 A 92 92 ALA H H 72 7.230 8.443 -1.213 1 1 848 . 19 1 1 A 92 92 ALA HA H 72 3.900 4.676 -0.776 1 1 852 . 19 1 1 A 92 92 ALA C C 72 177.850 176.614 1.236 1 1 853 . 19 1 1 A 92 92 ALA CA C 72 53.840 52.110 1.730 1 1 854 . 19 1 1 A 92 92 ALA CB C 72 18.250 41.776 -23.526 1 1 855 . 19 1 1 A 92 92 ALA N N 72 120.170 125.872 -5.702 1 1 857 . 19 1 1 A 93 93 PHE HA H 73 4.970 4.448 0.522 1 1 865 . 19 1 1 A 93 93 PHE C C 73 174.000 178.536 -4.536 1 1 866 . 19 1 1 A 93 93 PHE CA C 73 56.420 65.151 -8.731 1 1 867 . 19 1 1 A 93 93 PHE CB C 73 39.050 31.968 7.082 1 1 871 . 19 1 1 A 93 93 PHE N N 73 113.910 141.821 -27.911 1 1 872 . 19 1 1 A 94 94 CYS H H 74 7.690 6.655 1.035 1 1 873 . 19 1 1 A 94 94 CYS HA H 74 4.120 3.517 0.603 1 1 876 . 19 1 1 A 94 94 CYS C C 74 174.900 177.881 -2.981 1 1 877 . 19 1 1 A 94 94 CYS CA C 74 58.200 65.176 -6.976 1 1 878 . 19 1 1 A 94 94 CYS CB C 74 27.320 31.545 -4.225 1 1 879 . 19 1 1 A 94 94 CYS N N 74 121.190 116.514 4.676 1 1 880 . 19 1 1 A 95 95 VAL H H 75 8.770 7.838 0.932 1 1 881 . 19 1 1 A 95 95 VAL HA H 75 3.820 3.622 0.198 1 1 889 . 19 1 1 A 95 95 VAL C C 75 175.640 178.027 -2.387 1 1 890 . 19 1 1 A 95 95 VAL CA C 75 62.250 66.234 -3.984 1 1 891 . 19 1 1 A 95 95 VAL CB C 75 32.280 31.584 0.696 1 1 894 . 19 1 1 A 95 95 VAL N N 75 128.310 120.167 8.143 1 1 895 . 19 1 1 A 96 96 GLY H H 76 7.130 7.970 -0.840 1 1 898 . 19 1 1 A 96 96 GLY C C 76 171.220 179.299 -8.079 1 1 899 . 19 1 1 A 96 96 GLY CA C 76 44.940 54.912 -9.972 1 1 900 . 19 1 1 A 96 96 GLY N N 76 105.330 121.101 -15.771 1 1 901 . 19 1 1 A 97 97 GLN H H 77 8.590 7.347 1.243 1 1 902 . 19 1 1 A 97 97 GLN HA H 77 4.460 3.716 0.744 1 1 909 . 19 1 1 A 97 97 GLN C C 77 174.070 178.452 -4.382 1 1 910 . 19 1 1 A 97 97 GLN CA C 77 54.860 56.897 -2.037 1 1 911 . 19 1 1 A 97 97 GLN CB C 77 30.820 41.302 -10.482 1 1 913 . 19 1 1 A 97 97 GLN N N 77 120.500 119.897 0.603 1 1 915 . 19 1 1 A 98 98 TYR H H 78 8.440 8.179 0.261 1 1 916 . 19 1 1 A 98 98 TYR HA H 78 4.960 3.848 1.112 1 1 923 . 19 1 1 A 98 98 TYR C C 78 174.460 179.139 -4.679 1 1 924 . 19 1 1 A 98 98 TYR CA C 78 56.660 58.935 -2.275 1 1 925 . 19 1 1 A 98 98 TYR CB C 78 40.450 29.600 10.850 1 1 928 . 19 1 1 A 98 98 TYR N N 78 125.460 119.039 6.421 1 1 929 . 19 1 1 A 99 99 LEU H H 79 8.100 7.870 0.230 1 1 930 . 19 1 1 A 99 99 LEU HA H 79 4.360 4.105 0.255 1 1 940 . 19 1 1 A 99 99 LEU C C 79 173.790 180.320 -6.530 1 1 941 . 19 1 1 A 99 99 LEU CA C 79 53.110 54.739 -1.629 1 1 942 . 19 1 1 A 99 99 LEU CB C 79 43.200 18.157 25.043 1 1 946 . 19 1 1 A 99 99 LEU N N 79 131.670 122.863 8.807 1 1 947 . 19 1 1 A 100 100 GLU H H 80 8.160 7.525 0.635 1 1 948 . 19 1 1 A 100 100 GLU HA H 80 4.140 4.434 -0.294 1 1 953 . 19 1 1 A 100 100 GLU CA C 80 54.540 54.858 -0.318 1 1 954 . 19 1 1 A 100 100 GLU CB C 80 29.270 18.265 11.005 1 1 956 . 19 1 1 A 100 100 GLU N N 80 125.120 120.452 4.668 1 1 957 . 19 1 1 A 101 101 PRO HA H 81 4.380 4.034 0.346 1 1 964 . 19 1 1 A 101 101 PRO C C 81 177.370 179.231 -1.861 1 1 965 . 19 1 1 A 101 101 PRO CA C 81 64.050 57.502 6.548 1 1 966 . 19 1 1 A 101 101 PRO CB C 81 32.130 41.375 -9.245 1 1 969 . 19 1 1 A 102 102 ASP H H 82 8.430 7.346 1.084 1 1 970 . 19 1 1 A 102 102 ASP HA H 82 4.550 4.309 0.241 1 1 973 . 19 1 1 A 102 102 ASP C C 82 176.950 176.573 0.377 1 1 974 . 19 1 1 A 102 102 ASP CA C 82 54.680 58.485 -3.805 1 1 975 . 19 1 1 A 102 102 ASP CB C 82 40.630 29.575 11.055 1 1 976 . 19 1 1 A 102 102 ASP N N 82 118.470 116.462 2.008 1 1 977 . 19 1 1 A 103 103 GLN H H 83 8.230 7.841 0.389 1 1 978 . 19 1 1 A 103 103 GLN HA H 83 4.340 4.774 -0.434 1 1 985 . 19 1 1 A 103 103 GLN C C 83 176.210 176.660 -0.450 1 1 986 . 19 1 1 A 103 103 GLN CA C 83 55.640 57.340 -1.700 1 1 987 . 19 1 1 A 103 103 GLN CB C 83 29.630 39.697 -10.067 1 1 989 . 19 1 1 A 103 103 GLN N N 83 119.650 120.547 -0.897 1 1 991 . 19 1 1 A 104 104 GLU H H 84 8.250 8.670 -0.420 1 1 992 . 19 1 1 A 104 104 GLU HA H 84 4.220 4.012 0.208 1 1 997 . 19 1 1 A 104 104 GLU C C 84 177.100 177.973 -0.873 1 1 998 . 19 1 1 A 104 104 GLU CA C 84 57.220 59.090 -1.870 1 1 999 . 19 1 1 A 104 104 GLU CB C 84 30.320 28.908 1.412 1 1 1001 . 19 1 1 A 104 104 GLU N N 84 121.670 126.286 -4.616 1 1 1002 . 19 1 1 A 105 105 GLY H H 85 8.450 7.382 1.068 1 1 1005 . 19 1 1 A 105 105 GLY C C 85 174.000 178.328 -4.328 1 1 1006 . 19 1 1 A 105 105 GLY CA C 85 45.410 56.884 -11.474 1 1 1007 . 19 1 1 A 105 105 GLY N N 85 109.870 120.115 -10.245 1 1 1008 . 19 1 1 A 106 106 VAL H H 86 7.900 7.918 -0.018 1 1 1009 . 19 1 1 A 106 106 VAL HA H 86 4.190 4.208 -0.018 1 1 1017 . 19 1 1 A 106 106 VAL C C 86 176.300 176.237 0.063 1 1 1018 . 19 1 1 A 106 106 VAL CA C 86 62.190 65.042 -2.852 1 1 1019 . 19 1 1 A 106 106 VAL CB C 86 32.860 68.812 -35.952 1 1 1022 . 19 1 1 A 106 106 VAL N N 86 119.330 112.057 7.273 1 1 1023 . 19 1 1 A 107 107 THR H H 87 8.320 8.171 0.149 1 1 1024 . 19 1 1 A 107 107 THR HA H 87 4.350 4.289 0.061 1 1 1029 . 19 1 1 A 107 107 THR C C 87 174.050 177.733 -3.683 1 1 1030 . 19 1 1 A 107 107 THR CA C 87 61.870 57.483 4.387 1 1 1031 . 19 1 1 A 107 107 THR CB C 87 69.910 29.003 40.907 1 1 1033 . 19 1 1 A 107 107 THR N N 87 119.480 121.220 -1.740 1 1 1034 . 19 1 1 A 108 108 ILE H H 88 8.360 8.354 0.006 1 1 1035 . 19 1 1 A 108 108 ILE HA H 88 4.470 4.087 0.383 1 1 1045 . 19 1 1 A 108 108 ILE CA C 88 58.410 59.561 -1.151 1 1 1046 . 19 1 1 A 108 108 ILE CB C 88 38.530 29.207 9.323 1 1 1050 . 19 1 1 A 108 108 ILE N N 88 126.140 119.102 7.038 1 1 1051 . 19 1 1 A 109 109 PRO HA H 89 4.380 4.358 0.022 1 1 1058 . 19 1 1 A 109 109 PRO C C 89 176.290 177.374 -1.084 1 1 1059 . 19 1 1 A 109 109 PRO CA C 89 63.210 61.364 1.846 1 1 1060 . 19 1 1 A 109 109 PRO CB C 89 32.220 63.284 -31.064 1 1 1063 . 19 1 1 A 110 110 ASP H H 90 8.370 8.448 -0.078 1 1 1064 . 19 1 1 A 110 110 ASP HA H 90 4.580 4.952 -0.372 1 1 1067 . 19 1 1 A 110 110 ASP C C 90 176.200 178.553 -2.353 1 1 1068 . 19 1 1 A 110 110 ASP CA C 90 54.290 57.198 -2.908 1 1 1069 . 19 1 1 A 110 110 ASP CB C 90 41.120 31.885 9.235 1 1 1070 . 19 1 1 A 110 110 ASP N N 90 120.470 119.813 0.657 1 1 1071 . 19 1 1 A 111 111 LEU H H 91 8.250 8.338 -0.088 1 1 1072 . 19 1 1 A 111 111 LEU HA H 91 4.370 4.251 0.119 1 1 1081 . 19 1 1 A 111 111 LEU C C 91 177.040 177.618 -0.578 1 1 1082 . 19 1 1 A 111 111 LEU CA C 91 55.060 59.125 -4.065 1 1 1083 . 19 1 1 A 111 111 LEU CB C 91 42.290 29.727 12.563 1 1 1086 . 19 1 1 A 111 111 LEU N N 91 123.570 120.570 3.000 1 1 1087 . 19 1 1 A 112 112 GLY H H 92 8.080 7.958 0.122 1 1 1090 . 19 1 1 A 112 112 GLY CA C 92 46.190 54.518 -8.328 1 1 246 . 20 1 1 A 42 42 THR H H 22 8.820 7.601 1.219 1 1 247 . 20 1 1 A 42 42 THR HA H 22 4.800 4.429 0.371 1 1 252 . 20 1 1 A 42 42 THR C C 22 170.950 175.652 -4.702 1 1 253 . 20 1 1 A 42 42 THR CA C 22 60.870 56.081 4.789 1 1 254 . 20 1 1 A 42 42 THR CB C 22 71.510 32.917 38.593 1 1 256 . 20 1 1 A 42 42 THR N N 22 116.000 119.538 -3.538 1 1 257 . 20 1 1 A 43 43 VAL H H 23 8.140 8.299 -0.159 1 1 258 . 20 1 1 A 43 43 VAL HA H 23 4.830 4.492 0.338 1 1 266 . 20 1 1 A 43 43 VAL C C 23 176.470 174.541 1.929 1 1 267 . 20 1 1 A 43 43 VAL CA C 23 61.540 61.650 -0.110 1 1 268 . 20 1 1 A 43 43 VAL CB C 23 32.270 32.351 -0.081 1 1 271 . 20 1 1 A 43 43 VAL N N 23 125.850 124.046 1.804 1 1 272 . 20 1 1 A 44 44 ILE H H 24 9.350 8.813 0.537 1 1 273 . 20 1 1 A 44 44 ILE HA H 24 4.220 4.576 -0.356 1 1 283 . 20 1 1 A 44 44 ILE C C 24 176.050 174.074 1.976 1 1 284 . 20 1 1 A 44 44 ILE CA C 24 60.880 62.541 -1.661 1 1 285 . 20 1 1 A 44 44 ILE CB C 24 40.830 69.089 -28.259 1 1 289 . 20 1 1 A 44 44 ILE N N 24 128.460 125.074 3.386 1 1 290 . 20 1 1 A 45 45 ASP H H 25 9.450 9.010 0.440 1 1 291 . 20 1 1 A 45 45 ASP HA H 25 4.320 5.059 -0.739 1 1 294 . 20 1 1 A 45 45 ASP C C 25 176.060 175.944 0.116 1 1 295 . 20 1 1 A 45 45 ASP CA C 25 55.170 53.608 1.562 1 1 296 . 20 1 1 A 45 45 ASP CB C 25 39.870 41.252 -1.382 1 1 297 . 20 1 1 A 45 45 ASP N N 25 129.730 128.427 1.303 1 1 298 . 20 1 1 A 46 46 GLY H H 26 8.360 8.837 -0.477 1 1 301 . 20 1 1 A 46 46 GLY C C 26 173.150 176.173 -3.023 1 1 302 . 20 1 1 A 46 46 GLY CA C 26 46.190 61.971 -15.781 1 1 303 . 20 1 1 A 46 46 GLY N N 26 102.380 125.259 -22.879 1 1 304 . 20 1 1 A 47 47 LYS H H 27 8.000 8.723 -0.723 1 1 305 . 20 1 1 A 47 47 LYS HA H 27 4.780 4.776 0.004 1 1 314 . 20 1 1 A 47 47 LYS C C 27 177.050 176.595 0.455 1 1 315 . 20 1 1 A 47 47 LYS CA C 27 54.870 55.051 -0.181 1 1 316 . 20 1 1 A 47 47 LYS CB C 27 36.020 31.309 4.711 1 1 320 . 20 1 1 A 47 47 LYS N N 27 121.330 127.217 -5.887 1 1 321 . 20 1 1 A 48 48 VAL H H 28 8.160 8.893 -0.733 1 1 322 . 20 1 1 A 48 48 VAL HA H 28 4.450 4.130 0.320 1 1 330 . 20 1 1 A 48 48 VAL C C 28 174.640 177.875 -3.235 1 1 331 . 20 1 1 A 48 48 VAL CA C 28 60.800 64.184 -3.384 1 1 332 . 20 1 1 A 48 48 VAL CB C 28 32.310 37.620 -5.310 1 1 335 . 20 1 1 A 48 48 VAL N N 28 119.880 120.852 -0.972 1 1 336 . 20 1 1 A 49 49 TYR H H 29 9.130 8.434 0.696 1 1 337 . 20 1 1 A 49 49 TYR HA H 29 5.200 4.049 1.151 1 1 344 . 20 1 1 A 49 49 TYR C C 29 174.540 179.526 -4.986 1 1 345 . 20 1 1 A 49 49 TYR CA C 29 56.640 55.214 1.426 1 1 346 . 20 1 1 A 49 49 TYR CB C 29 43.420 17.978 25.442 1 1 349 . 20 1 1 A 49 49 TYR N N 29 124.890 123.266 1.624 1 1 350 . 20 1 1 A 50 50 ASP H H 30 9.000 8.117 0.883 1 1 351 . 20 1 1 A 50 50 ASP HA H 30 5.330 4.414 0.916 1 1 354 . 20 1 1 A 50 50 ASP C C 30 176.020 178.575 -2.555 1 1 355 . 20 1 1 A 50 50 ASP CA C 30 53.180 57.336 -4.156 1 1 356 . 20 1 1 A 50 50 ASP CB C 30 40.910 41.120 -0.210 1 1 357 . 20 1 1 A 50 50 ASP N N 30 119.790 118.314 1.476 1 1 358 . 20 1 1 A 51 51 ILE H H 31 8.700 8.163 0.537 1 1 359 . 20 1 1 A 51 51 ILE HA H 31 3.710 4.059 -0.349 1 1 369 . 20 1 1 A 51 51 ILE C C 31 178.070 179.195 -1.125 1 1 370 . 20 1 1 A 51 51 ILE CA C 31 60.750 58.083 2.667 1 1 371 . 20 1 1 A 51 51 ILE CB C 31 35.230 41.621 -6.391 1 1 375 . 20 1 1 A 51 51 ILE N N 31 125.270 119.908 5.362 1 1 376 . 20 1 1 A 52 52 LYS H H 32 8.030 7.994 0.036 1 1 377 . 20 1 1 A 52 52 LYS HA H 32 4.340 3.930 0.410 1 1 386 . 20 1 1 A 52 52 LYS C C 32 179.540 179.470 0.070 1 1 387 . 20 1 1 A 52 52 LYS CA C 32 59.380 59.901 -0.521 1 1 388 . 20 1 1 A 52 52 LYS CB C 32 31.930 29.227 2.703 1 1 392 . 20 1 1 A 52 52 LYS N N 32 120.520 117.595 2.925 1 1 393 . 20 1 1 A 53 53 ASP H H 33 7.810 7.970 -0.160 1 1 394 . 20 1 1 A 53 53 ASP HA H 33 4.620 4.422 0.198 1 1 397 . 20 1 1 A 53 53 ASP C C 33 177.670 177.968 -0.298 1 1 398 . 20 1 1 A 53 53 ASP CA C 33 56.840 56.187 0.653 1 1 399 . 20 1 1 A 53 53 ASP CB C 33 41.220 37.722 3.498 1 1 400 . 20 1 1 A 53 53 ASP N N 33 120.590 118.215 2.375 1 1 401 . 20 1 1 A 54 54 PHE H H 34 7.660 7.782 -0.122 1 1 402 . 20 1 1 A 54 54 PHE HA H 34 3.100 4.302 -1.202 1 1 410 . 20 1 1 A 54 54 PHE C C 34 176.960 176.837 0.123 1 1 411 . 20 1 1 A 54 54 PHE CA C 34 60.670 59.572 1.098 1 1 412 . 20 1 1 A 54 54 PHE CB C 34 38.870 29.276 9.594 1 1 416 . 20 1 1 A 54 54 PHE N N 34 120.480 120.938 -0.458 1 1 417 . 20 1 1 A 55 55 GLN H H 35 8.860 8.279 0.581 1 1 418 . 20 1 1 A 55 55 GLN HA H 35 3.660 4.385 -0.725 1 1 425 . 20 1 1 A 55 55 GLN C C 35 178.510 177.641 0.869 1 1 426 . 20 1 1 A 55 55 GLN CA C 35 58.980 56.858 2.122 1 1 427 . 20 1 1 A 55 55 GLN CB C 35 29.450 39.508 -10.058 1 1 429 . 20 1 1 A 55 55 GLN N N 35 119.060 116.766 2.294 1 1 431 . 20 1 1 A 56 56 THR H H 36 8.150 7.693 0.457 1 1 432 . 20 1 1 A 56 56 THR HA H 36 3.930 4.516 -0.586 1 1 437 . 20 1 1 A 56 56 THR C C 36 176.550 177.415 -0.865 1 1 438 . 20 1 1 A 56 56 THR CA C 36 66.070 55.673 10.397 1 1 439 . 20 1 1 A 56 56 THR CB C 36 69.030 38.000 31.030 1 1 441 . 20 1 1 A 56 56 THR N N 36 115.130 116.503 -1.373 1 1 442 . 20 1 1 A 57 57 GLN H H 37 8.230 7.394 0.836 1 1 443 . 20 1 1 A 57 57 GLN HA H 37 4.210 4.526 -0.316 1 1 450 . 20 1 1 A 57 57 GLN CA C 37 58.050 54.158 3.892 1 1 451 . 20 1 1 A 57 57 GLN CB C 37 28.290 40.715 -12.425 1 1 453 . 20 1 1 A 57 57 GLN N N 37 119.670 116.941 2.729 1 1 458 . 20 1 1 A 58 58 SER C C 38 174.020 174.960 -0.940 1 1 459 . 20 1 1 A 58 58 SER CA C 38 60.500 45.029 15.471 1 1 461 . 20 1 1 A 59 59 LEU H H 39 7.320 7.287 0.033 1 1 465 . 20 1 1 A 59 59 LEU CA C 39 55.140 46.294 8.846 1 1 467 . 20 1 1 A 59 59 LEU N N 39 120.250 107.581 12.669 1 1 468 . 20 1 1 A 60 60 THR H H 40 7.510 8.670 -1.160 1 1 469 . 20 1 1 A 60 60 THR HA H 40 4.250 4.789 -0.539 1 1 474 . 20 1 1 A 60 60 THR C C 40 174.900 174.567 0.333 1 1 475 . 20 1 1 A 60 60 THR CA C 40 62.320 56.960 5.360 1 1 476 . 20 1 1 A 60 60 THR CB C 40 70.110 39.379 30.731 1 1 478 . 20 1 1 A 60 60 THR N N 40 112.820 126.097 -13.277 1 1 479 . 20 1 1 A 61 61 GLU H H 41 8.510 8.899 -0.389 1 1 480 . 20 1 1 A 61 61 GLU HA H 41 4.100 5.384 -1.284 1 1 485 . 20 1 1 A 61 61 GLU C C 41 176.720 175.260 1.460 1 1 486 . 20 1 1 A 61 61 GLU CA C 41 57.840 56.304 1.536 1 1 487 . 20 1 1 A 61 61 GLU CB C 41 29.840 33.030 -3.190 1 1 489 . 20 1 1 A 61 61 GLU N N 41 123.410 127.475 -4.065 1 1 490 . 20 1 1 A 62 62 ASN H H 42 8.600 8.653 -0.053 1 1 491 . 20 1 1 A 62 62 ASN HA H 42 4.580 4.727 -0.147 1 1 496 . 20 1 1 A 62 62 ASN C C 42 174.940 172.157 2.783 1 1 497 . 20 1 1 A 62 62 ASN CA C 42 53.760 60.282 -6.522 1 1 498 . 20 1 1 A 62 62 ASN CB C 42 38.130 70.758 -32.628 1 1 499 . 20 1 1 A 62 62 ASN N N 42 117.760 114.446 3.314 1 1 501 . 20 1 1 A 63 63 SER H H 43 7.800 8.323 -0.523 1 1 502 . 20 1 1 A 63 63 SER HA H 43 4.400 4.965 -0.565 1 1 505 . 20 1 1 A 63 63 SER C C 43 177.320 174.910 2.410 1 1 506 . 20 1 1 A 63 63 SER CA C 43 58.730 61.190 -2.460 1 1 507 . 20 1 1 A 63 63 SER CB C 43 64.210 33.212 30.998 1 1 508 . 20 1 1 A 63 63 SER N N 43 114.610 123.502 -8.892 1 1 509 . 20 1 1 A 64 64 ILE H H 44 8.710 8.800 -0.090 1 1 510 . 20 1 1 A 64 64 ILE HA H 44 4.180 4.546 -0.366 1 1 520 . 20 1 1 A 64 64 ILE C C 44 176.550 175.940 0.610 1 1 521 . 20 1 1 A 64 64 ILE CA C 44 63.280 60.134 3.146 1 1 522 . 20 1 1 A 64 64 ILE CB C 44 38.110 40.624 -2.514 1 1 526 . 20 1 1 A 64 64 ILE N N 44 125.240 127.262 -2.022 1 1 527 . 20 1 1 A 65 65 LEU H H 45 8.160 9.493 -1.333 1 1 528 . 20 1 1 A 65 65 LEU HA H 45 4.450 4.323 0.127 1 1 538 . 20 1 1 A 65 65 LEU C C 45 177.800 175.555 2.245 1 1 539 . 20 1 1 A 65 65 LEU CA C 45 54.820 55.150 -0.330 1 1 540 . 20 1 1 A 65 65 LEU CB C 45 41.790 39.815 1.975 1 1 544 . 20 1 1 A 65 65 LEU N N 45 118.980 127.961 -8.981 1 1 545 . 20 1 1 A 66 66 ALA H H 46 7.700 8.737 -1.037 1 1 550 . 20 1 1 A 66 66 ALA C C 46 179.870 173.797 6.073 1 1 551 . 20 1 1 A 66 66 ALA CA C 46 54.980 46.048 8.932 1 1 553 . 20 1 1 A 66 66 ALA N N 46 122.830 104.288 18.542 1 1 554 . 20 1 1 A 67 67 GLN H H 47 7.920 7.682 0.238 1 1 555 . 20 1 1 A 67 67 GLN HA H 47 4.110 4.552 -0.442 1 1 562 . 20 1 1 A 67 67 GLN C C 47 175.990 175.125 0.865 1 1 563 . 20 1 1 A 67 67 GLN CA C 47 57.170 54.234 2.936 1 1 564 . 20 1 1 A 67 67 GLN CB C 47 28.180 34.543 -6.363 1 1 566 . 20 1 1 A 67 67 GLN N N 47 115.030 119.638 -4.608 1 1 568 . 20 1 1 A 68 68 PHE H H 48 7.790 8.538 -0.748 1 1 569 . 20 1 1 A 68 68 PHE HA H 48 4.690 4.359 0.331 1 1 576 . 20 1 1 A 68 68 PHE C C 48 175.620 174.657 0.963 1 1 577 . 20 1 1 A 68 68 PHE CA C 48 57.220 61.812 -4.592 1 1 578 . 20 1 1 A 68 68 PHE CB C 48 39.320 31.295 8.025 1 1 581 . 20 1 1 A 68 68 PHE N N 48 118.560 123.417 -4.857 1 1 582 . 20 1 1 A 69 69 ALA H H 49 7.600 8.835 -1.235 1 1 583 . 20 1 1 A 69 69 ALA HA H 49 4.120 5.300 -1.180 1 1 587 . 20 1 1 A 69 69 ALA C C 49 178.250 175.111 3.139 1 1 588 . 20 1 1 A 69 69 ALA CA C 49 53.920 55.944 -2.024 1 1 589 . 20 1 1 A 69 69 ALA CB C 49 18.660 41.141 -22.481 1 1 590 . 20 1 1 A 69 69 ALA N N 49 123.340 126.777 -3.437 1 1 591 . 20 1 1 A 70 70 GLY H H 50 8.500 8.668 -0.168 1 1 594 . 20 1 1 A 70 70 GLY C C 50 174.070 175.756 -1.686 1 1 595 . 20 1 1 A 70 70 GLY CA C 50 45.390 54.414 -9.024 1 1 596 . 20 1 1 A 70 70 GLY N N 50 108.770 123.793 -15.023 1 1 597 . 20 1 1 A 71 71 GLU H H 51 7.800 8.515 -0.715 1 1 598 . 20 1 1 A 71 71 GLU HA H 51 4.430 4.310 0.120 1 1 603 . 20 1 1 A 71 71 GLU C C 51 176.220 177.895 -1.675 1 1 604 . 20 1 1 A 71 71 GLU CA C 51 55.430 63.051 -7.621 1 1 605 . 20 1 1 A 71 71 GLU CB C 51 30.980 39.686 -8.706 1 1 607 . 20 1 1 A 71 71 GLU N N 51 119.390 126.911 -7.521 1 1 608 . 20 1 1 A 72 72 ASP H H 52 8.830 7.907 0.923 1 1 609 . 20 1 1 A 72 72 ASP HA H 52 4.850 4.142 0.708 1 1 612 . 20 1 1 A 72 72 ASP CA C 52 52.110 59.060 -6.950 1 1 613 . 20 1 1 A 72 72 ASP CB C 52 42.070 32.007 10.063 1 1 614 . 20 1 1 A 72 72 ASP N N 52 123.830 121.405 2.425 1 1 615 . 20 1 1 A 73 73 PRO HA H 53 4.410 4.525 -0.115 1 1 622 . 20 1 1 A 73 73 PRO C C 53 177.290 178.654 -1.364 1 1 623 . 20 1 1 A 73 73 PRO CA C 53 64.940 57.293 7.647 1 1 624 . 20 1 1 A 73 73 PRO CB C 53 32.130 40.818 -8.688 1 1 627 . 20 1 1 A 74 74 VAL H H 54 7.950 8.342 -0.392 1 1 628 . 20 1 1 A 74 74 VAL HA H 54 3.360 4.065 -0.705 1 1 636 . 20 1 1 A 74 74 VAL C C 54 177.540 177.968 -0.428 1 1 637 . 20 1 1 A 74 74 VAL CA C 54 66.820 61.805 5.015 1 1 638 . 20 1 1 A 74 74 VAL CB C 54 31.310 38.910 -7.600 1 1 641 . 20 1 1 A 74 74 VAL N N 54 118.670 120.755 -2.085 1 1 642 . 20 1 1 A 75 75 VAL H H 55 7.090 8.432 -1.342 1 1 643 . 20 1 1 A 75 75 VAL HA H 55 3.620 4.141 -0.521 1 1 651 . 20 1 1 A 75 75 VAL C C 55 175.050 177.997 -2.947 1 1 652 . 20 1 1 A 75 75 VAL CA C 55 65.440 58.542 6.898 1 1 653 . 20 1 1 A 75 75 VAL CB C 55 32.210 27.555 4.655 1 1 656 . 20 1 1 A 75 75 VAL N N 55 120.340 117.725 2.615 1 1 657 . 20 1 1 A 76 76 ALA H H 56 8.050 7.981 0.069 1 1 658 . 20 1 1 A 76 76 ALA HA H 56 3.870 3.894 -0.024 1 1 662 . 20 1 1 A 76 76 ALA C C 56 178.160 176.849 1.311 1 1 663 . 20 1 1 A 76 76 ALA CA C 56 54.840 66.987 -12.147 1 1 664 . 20 1 1 A 76 76 ALA CB C 56 19.250 68.300 -49.050 1 1 665 . 20 1 1 A 76 76 ALA N N 56 121.910 118.404 3.506 1 1 666 . 20 1 1 A 77 77 LEU H H 57 7.720 7.933 -0.213 1 1 667 . 20 1 1 A 77 77 LEU HA H 57 3.170 4.242 -1.072 1 1 677 . 20 1 1 A 77 77 LEU C C 57 178.010 176.707 1.303 1 1 678 . 20 1 1 A 77 77 LEU CA C 57 58.260 57.938 0.322 1 1 679 . 20 1 1 A 77 77 LEU CB C 57 39.970 28.378 11.592 1 1 683 . 20 1 1 A 77 77 LEU N N 57 120.030 119.511 0.519 1 1 684 . 20 1 1 A 78 78 GLU H H 58 7.840 7.424 0.416 1 1 685 . 20 1 1 A 78 78 GLU HA H 58 3.510 4.372 -0.862 1 1 690 . 20 1 1 A 78 78 GLU C C 58 179.140 176.307 2.833 1 1 691 . 20 1 1 A 78 78 GLU CA C 58 60.290 59.456 0.834 1 1 692 . 20 1 1 A 78 78 GLU CB C 58 29.420 63.591 -34.171 1 1 694 . 20 1 1 A 78 78 GLU N N 58 116.990 114.701 2.289 1 1 695 . 20 1 1 A 79 79 ALA H H 59 7.710 7.884 -0.174 1 1 696 . 20 1 1 A 79 79 ALA HA H 59 3.940 4.233 -0.293 1 1 700 . 20 1 1 A 79 79 ALA C C 59 180.360 175.809 4.551 1 1 701 . 20 1 1 A 79 79 ALA CA C 59 54.790 56.596 -1.806 1 1 702 . 20 1 1 A 79 79 ALA CB C 59 17.930 42.361 -24.431 1 1 703 . 20 1 1 A 79 79 ALA N N 59 120.690 121.514 -0.824 1 1 704 . 20 1 1 A 80 80 ALA H H 60 8.220 7.668 0.552 1 1 705 . 20 1 1 A 80 80 ALA HA H 60 3.970 4.750 -0.780 1 1 709 . 20 1 1 A 80 80 ALA C C 60 180.570 174.443 6.127 1 1 710 . 20 1 1 A 80 80 ALA CA C 60 54.160 59.376 -5.216 1 1 711 . 20 1 1 A 80 80 ALA CB C 60 18.830 70.975 -52.145 1 1 712 . 20 1 1 A 80 80 ALA N N 60 122.230 113.744 8.486 1 1 713 . 20 1 1 A 81 81 LEU H H 61 7.800 9.087 -1.287 1 1 714 . 20 1 1 A 81 81 LEU HA H 61 3.890 4.034 -0.144 1 1 724 . 20 1 1 A 81 81 LEU C C 61 177.590 177.259 0.331 1 1 725 . 20 1 1 A 81 81 LEU CA C 61 56.650 59.175 -2.525 1 1 726 . 20 1 1 A 81 81 LEU CB C 61 42.630 29.799 12.831 1 1 730 . 20 1 1 A 81 81 LEU N N 61 116.150 125.275 -9.125 1 1 731 . 20 1 1 A 82 82 GLN H H 62 7.450 7.628 -0.178 1 1 732 . 20 1 1 A 82 82 GLN HA H 62 4.250 4.834 -0.584 1 1 739 . 20 1 1 A 82 82 GLN C C 62 176.120 173.694 2.426 1 1 740 . 20 1 1 A 82 82 GLN CA C 62 55.880 52.212 3.668 1 1 741 . 20 1 1 A 82 82 GLN CB C 62 29.330 37.096 -7.766 1 1 743 . 20 1 1 A 82 82 GLN N N 62 115.740 117.655 -1.915 1 1 745 . 20 1 1 A 83 83 PHE H H 63 7.300 8.005 -0.705 1 1 746 . 20 1 1 A 83 83 PHE HA H 63 4.900 4.940 -0.040 1 1 753 . 20 1 1 A 83 83 PHE C C 63 176.470 174.400 2.070 1 1 754 . 20 1 1 A 83 83 PHE CA C 63 56.260 57.700 -1.440 1 1 755 . 20 1 1 A 83 83 PHE CB C 63 39.000 67.394 -28.394 1 1 758 . 20 1 1 A 83 83 PHE N N 63 120.420 119.029 1.391 1 1 759 . 20 1 1 A 84 84 GLU H H 64 9.090 8.687 0.403 1 1 760 . 20 1 1 A 84 84 GLU HA H 64 3.850 3.880 -0.030 1 1 765 . 20 1 1 A 84 84 GLU C C 64 178.010 176.446 1.564 1 1 766 . 20 1 1 A 84 84 GLU CA C 64 59.910 63.776 -3.866 1 1 767 . 20 1 1 A 84 84 GLU CB C 64 29.640 37.721 -8.081 1 1 769 . 20 1 1 A 84 84 GLU N N 64 126.260 124.207 2.053 1 1 770 . 20 1 1 A 85 85 ASP H H 65 7.670 7.726 -0.056 1 1 771 . 20 1 1 A 85 85 ASP HA H 65 4.480 4.691 -0.211 1 1 774 . 20 1 1 A 85 85 ASP C C 65 177.530 177.904 -0.374 1 1 775 . 20 1 1 A 85 85 ASP CA C 65 56.290 54.605 1.685 1 1 776 . 20 1 1 A 85 85 ASP CB C 65 40.480 41.446 -0.966 1 1 777 . 20 1 1 A 85 85 ASP N N 65 114.070 121.587 -7.517 1 1 778 . 20 1 1 A 86 86 THR H H 66 7.560 7.564 -0.004 1 1 779 . 20 1 1 A 86 86 THR HA H 66 4.530 4.076 0.454 1 1 784 . 20 1 1 A 86 86 THR C C 66 176.820 179.601 -2.781 1 1 785 . 20 1 1 A 86 86 THR CA C 66 62.380 54.765 7.615 1 1 786 . 20 1 1 A 86 86 THR CB C 66 70.200 18.233 51.967 1 1 788 . 20 1 1 A 86 86 THR N N 66 106.640 123.220 -16.580 1 1 789 . 20 1 1 A 87 87 ARG H H 67 8.100 8.414 -0.314 1 1 790 . 20 1 1 A 87 87 ARG HA H 67 4.020 4.078 -0.058 1 1 797 . 20 1 1 A 87 87 ARG C C 67 178.760 176.084 2.676 1 1 798 . 20 1 1 A 87 87 ARG CA C 67 61.140 57.228 3.912 1 1 799 . 20 1 1 A 87 87 ARG CB C 67 30.220 27.124 3.096 1 1 802 . 20 1 1 A 87 87 ARG N N 67 124.220 115.309 8.911 1 1 803 . 20 1 1 A 88 88 GLU H H 68 8.790 7.688 1.102 1 1 804 . 20 1 1 A 88 88 GLU HA H 68 4.090 4.809 -0.719 1 1 809 . 20 1 1 A 88 88 GLU C C 68 179.320 176.348 2.972 1 1 810 . 20 1 1 A 88 88 GLU CA C 68 59.150 57.191 1.959 1 1 811 . 20 1 1 A 88 88 GLU CB C 68 28.930 38.737 -9.807 1 1 813 . 20 1 1 A 88 88 GLU N N 68 118.790 118.311 0.479 1 1 814 . 20 1 1 A 89 89 SER H H 69 8.140 8.042 0.098 1 1 815 . 20 1 1 A 89 89 SER HA H 69 4.390 4.279 0.111 1 1 818 . 20 1 1 A 89 89 SER C C 69 176.100 178.689 -2.589 1 1 819 . 20 1 1 A 89 89 SER CA C 69 61.000 54.914 6.086 1 1 820 . 20 1 1 A 89 89 SER CB C 69 63.190 18.541 44.649 1 1 821 . 20 1 1 A 89 89 SER N N 69 115.570 123.641 -8.071 1 1 822 . 20 1 1 A 90 90 MET H H 70 7.690 8.037 -0.347 1 1 831 . 20 1 1 A 90 90 MET C C 70 177.990 173.440 4.550 1 1 832 . 20 1 1 A 90 90 MET CA C 70 55.140 45.308 9.832 1 1 836 . 20 1 1 A 90 90 MET N N 70 118.160 105.567 12.593 1 1 837 . 20 1 1 A 91 91 HIS H H 71 7.740 7.753 -0.013 1 1 838 . 20 1 1 A 91 91 HIS HA H 71 4.430 4.734 -0.304 1 1 842 . 20 1 1 A 91 91 HIS C C 71 177.460 176.118 1.342 1 1 843 . 20 1 1 A 91 91 HIS CA C 71 58.830 55.233 3.597 1 1 844 . 20 1 1 A 91 91 HIS CB C 71 29.680 31.561 -1.881 1 1 846 . 20 1 1 A 91 91 HIS N N 71 118.990 121.460 -2.470 1 1 847 . 20 1 1 A 92 92 ALA H H 72 7.230 8.489 -1.259 1 1 848 . 20 1 1 A 92 92 ALA HA H 72 3.900 4.730 -0.830 1 1 852 . 20 1 1 A 92 92 ALA C C 72 177.850 176.467 1.383 1 1 853 . 20 1 1 A 92 92 ALA CA C 72 53.840 52.039 1.801 1 1 854 . 20 1 1 A 92 92 ALA CB C 72 18.250 42.158 -23.908 1 1 855 . 20 1 1 A 92 92 ALA N N 72 120.170 125.691 -5.521 1 1 857 . 20 1 1 A 93 93 PHE HA H 73 4.970 4.467 0.503 1 1 865 . 20 1 1 A 93 93 PHE C C 73 174.000 178.658 -4.658 1 1 866 . 20 1 1 A 93 93 PHE CA C 73 56.420 65.360 -8.940 1 1 867 . 20 1 1 A 93 93 PHE CB C 73 39.050 31.835 7.215 1 1 871 . 20 1 1 A 93 93 PHE N N 73 113.910 141.622 -27.712 1 1 872 . 20 1 1 A 94 94 CYS H H 74 7.690 6.814 0.876 1 1 873 . 20 1 1 A 94 94 CYS HA H 74 4.120 3.602 0.518 1 1 876 . 20 1 1 A 94 94 CYS C C 74 174.900 177.881 -2.981 1 1 877 . 20 1 1 A 94 94 CYS CA C 74 58.200 64.900 -6.700 1 1 878 . 20 1 1 A 94 94 CYS CB C 74 27.320 31.461 -4.141 1 1 879 . 20 1 1 A 94 94 CYS N N 74 121.190 116.563 4.627 1 1 880 . 20 1 1 A 95 95 VAL H H 75 8.770 8.042 0.728 1 1 881 . 20 1 1 A 95 95 VAL HA H 75 3.820 3.446 0.374 1 1 889 . 20 1 1 A 95 95 VAL C C 75 175.640 178.098 -2.458 1 1 890 . 20 1 1 A 95 95 VAL CA C 75 62.250 66.251 -4.001 1 1 891 . 20 1 1 A 95 95 VAL CB C 75 32.280 31.427 0.853 1 1 894 . 20 1 1 A 95 95 VAL N N 75 128.310 120.875 7.435 1 1 895 . 20 1 1 A 96 96 GLY H H 76 7.130 7.879 -0.749 1 1 898 . 20 1 1 A 96 96 GLY C C 76 171.220 179.521 -8.301 1 1 899 . 20 1 1 A 96 96 GLY CA C 76 44.940 54.772 -9.832 1 1 900 . 20 1 1 A 96 96 GLY N N 76 105.330 121.446 -16.116 1 1 901 . 20 1 1 A 97 97 GLN H H 77 8.590 7.572 1.018 1 1 902 . 20 1 1 A 97 97 GLN HA H 77 4.460 3.553 0.907 1 1 909 . 20 1 1 A 97 97 GLN C C 77 174.070 178.355 -4.285 1 1 910 . 20 1 1 A 97 97 GLN CA C 77 54.860 57.430 -2.570 1 1 911 . 20 1 1 A 97 97 GLN CB C 77 30.820 41.030 -10.210 1 1 913 . 20 1 1 A 97 97 GLN N N 77 120.500 120.330 0.170 1 1 915 . 20 1 1 A 98 98 TYR H H 78 8.440 7.477 0.963 1 1 916 . 20 1 1 A 98 98 TYR HA H 78 4.960 3.879 1.081 1 1 923 . 20 1 1 A 98 98 TYR C C 78 174.460 179.236 -4.776 1 1 924 . 20 1 1 A 98 98 TYR CA C 78 56.660 59.467 -2.807 1 1 925 . 20 1 1 A 98 98 TYR CB C 78 40.450 29.281 11.169 1 1 928 . 20 1 1 A 98 98 TYR N N 78 125.460 117.886 7.574 1 1 929 . 20 1 1 A 99 99 LEU H H 79 8.100 7.626 0.474 1 1 930 . 20 1 1 A 99 99 LEU HA H 79 4.360 4.143 0.217 1 1 940 . 20 1 1 A 99 99 LEU C C 79 173.790 179.881 -6.091 1 1 941 . 20 1 1 A 99 99 LEU CA C 79 53.110 55.014 -1.904 1 1 942 . 20 1 1 A 99 99 LEU CB C 79 43.200 18.028 25.172 1 1 946 . 20 1 1 A 99 99 LEU N N 79 131.670 123.314 8.356 1 1 947 . 20 1 1 A 100 100 GLU H H 80 8.160 7.712 0.448 1 1 948 . 20 1 1 A 100 100 GLU HA H 80 4.140 4.571 -0.431 1 1 953 . 20 1 1 A 100 100 GLU CA C 80 54.540 54.186 0.354 1 1 954 . 20 1 1 A 100 100 GLU CB C 80 29.270 18.732 10.538 1 1 956 . 20 1 1 A 100 100 GLU N N 80 125.120 120.998 4.122 1 1 957 . 20 1 1 A 101 101 PRO HA H 81 4.380 3.995 0.385 1 1 964 . 20 1 1 A 101 101 PRO C C 81 177.370 178.686 -1.316 1 1 965 . 20 1 1 A 101 101 PRO CA C 81 64.050 57.837 6.213 1 1 966 . 20 1 1 A 101 101 PRO CB C 81 32.130 41.234 -9.104 1 1 969 . 20 1 1 A 102 102 ASP H H 82 8.430 7.766 0.664 1 1 970 . 20 1 1 A 102 102 ASP HA H 82 4.550 4.086 0.464 1 1 973 . 20 1 1 A 102 102 ASP C C 82 176.950 176.537 0.413 1 1 974 . 20 1 1 A 102 102 ASP CA C 82 54.680 58.116 -3.436 1 1 975 . 20 1 1 A 102 102 ASP CB C 82 40.630 28.963 11.667 1 1 976 . 20 1 1 A 102 102 ASP N N 82 118.470 117.850 0.620 1 1 977 . 20 1 1 A 103 103 GLN H H 83 8.230 7.691 0.539 1 1 978 . 20 1 1 A 103 103 GLN HA H 83 4.340 4.802 -0.462 1 1 985 . 20 1 1 A 103 103 GLN C C 83 176.210 176.336 -0.126 1 1 986 . 20 1 1 A 103 103 GLN CA C 83 55.640 57.133 -1.493 1 1 987 . 20 1 1 A 103 103 GLN CB C 83 29.630 39.190 -9.560 1 1 989 . 20 1 1 A 103 103 GLN N N 83 119.650 120.618 -0.968 1 1 991 . 20 1 1 A 104 104 GLU H H 84 8.250 8.882 -0.632 1 1 992 . 20 1 1 A 104 104 GLU HA H 84 4.220 4.046 0.174 1 1 997 . 20 1 1 A 104 104 GLU C C 84 177.100 178.346 -1.246 1 1 998 . 20 1 1 A 104 104 GLU CA C 84 57.220 58.836 -1.616 1 1 999 . 20 1 1 A 104 104 GLU CB C 84 30.320 28.752 1.568 1 1 1001 . 20 1 1 A 104 104 GLU N N 84 121.670 127.099 -5.429 1 1 1002 . 20 1 1 A 105 105 GLY H H 85 8.450 7.410 1.040 1 1 1005 . 20 1 1 A 105 105 GLY C C 85 174.000 177.468 -3.468 1 1 1006 . 20 1 1 A 105 105 GLY CA C 85 45.410 56.807 -11.397 1 1 1007 . 20 1 1 A 105 105 GLY N N 85 109.870 120.595 -10.725 1 1 1008 . 20 1 1 A 106 106 VAL H H 86 7.900 7.213 0.687 1 1 1009 . 20 1 1 A 106 106 VAL HA H 86 4.190 4.312 -0.122 1 1 1017 . 20 1 1 A 106 106 VAL C C 86 176.300 176.264 0.036 1 1 1018 . 20 1 1 A 106 106 VAL CA C 86 62.190 63.699 -1.509 1 1 1019 . 20 1 1 A 106 106 VAL CB C 86 32.860 69.357 -36.497 1 1 1022 . 20 1 1 A 106 106 VAL N N 86 119.330 112.113 7.217 1 1 1023 . 20 1 1 A 107 107 THR H H 87 8.320 8.311 0.009 1 1 1024 . 20 1 1 A 107 107 THR HA H 87 4.350 4.188 0.162 1 1 1029 . 20 1 1 A 107 107 THR C C 87 174.050 178.137 -4.087 1 1 1030 . 20 1 1 A 107 107 THR CA C 87 61.870 57.996 3.874 1 1 1031 . 20 1 1 A 107 107 THR CB C 87 69.910 29.501 40.409 1 1 1033 . 20 1 1 A 107 107 THR N N 87 119.480 122.472 -2.992 1 1 1034 . 20 1 1 A 108 108 ILE H H 88 8.360 8.440 -0.080 1 1 1035 . 20 1 1 A 108 108 ILE HA H 88 4.470 4.114 0.356 1 1 1045 . 20 1 1 A 108 108 ILE CA C 88 58.410 59.325 -0.915 1 1 1046 . 20 1 1 A 108 108 ILE CB C 88 38.530 29.273 9.257 1 1 1050 . 20 1 1 A 108 108 ILE N N 88 126.140 120.413 5.727 1 1 1051 . 20 1 1 A 109 109 PRO HA H 89 4.380 4.414 -0.034 1 1 1058 . 20 1 1 A 109 109 PRO C C 89 176.290 176.368 -0.078 1 1 1059 . 20 1 1 A 109 109 PRO CA C 89 63.210 61.120 2.090 1 1 1060 . 20 1 1 A 109 109 PRO CB C 89 32.220 63.190 -30.970 1 1 1063 . 20 1 1 A 110 110 ASP H H 90 8.370 8.417 -0.047 1 1 1064 . 20 1 1 A 110 110 ASP HA H 90 4.580 4.835 -0.255 1 1 1067 . 20 1 1 A 110 110 ASP C C 90 176.200 178.276 -2.076 1 1 1068 . 20 1 1 A 110 110 ASP CA C 90 54.290 57.897 -3.607 1 1 1069 . 20 1 1 A 110 110 ASP CB C 90 41.120 31.697 9.423 1 1 1070 . 20 1 1 A 110 110 ASP N N 90 120.470 119.547 0.923 1 1 1071 . 20 1 1 A 111 111 LEU H H 91 8.250 8.127 0.123 1 1 1072 . 20 1 1 A 111 111 LEU HA H 91 4.370 4.484 -0.114 1 1 1081 . 20 1 1 A 111 111 LEU C C 91 177.040 176.658 0.382 1 1 1082 . 20 1 1 A 111 111 LEU CA C 91 55.060 58.705 -3.645 1 1 1083 . 20 1 1 A 111 111 LEU CB C 91 42.290 28.828 13.462 1 1 1086 . 20 1 1 A 111 111 LEU N N 91 123.570 117.158 6.412 1 1 1087 . 20 1 1 A 112 112 GLY H H 92 8.080 7.393 0.687 1 1 1090 . 20 1 1 A 112 112 GLY CA C 92 46.190 53.844 -7.654 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 65 2.890 1 2 1 1 1 "RMS(OBS, PRED)" CA 71 5.834 1 3 1 1 1 "RMS(OBS, PRED)" CB 62 20.949 1 4 1 1 1 "RMS(OBS, PRED)" H 66 0.710 1 5 1 1 1 "RMS(OBS, PRED)" HA 62 0.525 1 6 1 1 1 "RMS(OBS, PRED)" N 66 7.945 1 7 1 2 1 "RMS(OBS, PRED)" C 65 2.897 1 8 1 2 1 "RMS(OBS, PRED)" CA 71 5.922 1 9 1 2 1 "RMS(OBS, PRED)" CB 62 21.095 1 10 1 2 1 "RMS(OBS, PRED)" H 66 0.681 1 11 1 2 1 "RMS(OBS, PRED)" HA 62 0.586 1 12 1 2 1 "RMS(OBS, PRED)" N 66 8.099 1 13 1 3 1 "RMS(OBS, PRED)" C 65 2.891 1 14 1 3 1 "RMS(OBS, PRED)" CA 71 5.630 1 15 1 3 1 "RMS(OBS, PRED)" CB 62 21.169 1 16 1 3 1 "RMS(OBS, PRED)" H 66 0.742 1 17 1 3 1 "RMS(OBS, PRED)" HA 62 0.549 1 18 1 3 1 "RMS(OBS, PRED)" N 66 8.163 1 19 1 4 1 "RMS(OBS, PRED)" C 65 2.833 1 20 1 4 1 "RMS(OBS, PRED)" CA 71 5.746 1 21 1 4 1 "RMS(OBS, PRED)" CB 62 21.006 1 22 1 4 1 "RMS(OBS, PRED)" H 66 0.735 1 23 1 4 1 "RMS(OBS, PRED)" HA 62 0.520 1 24 1 4 1 "RMS(OBS, PRED)" N 66 8.045 1 25 1 5 1 "RMS(OBS, PRED)" C 65 2.808 1 26 1 5 1 "RMS(OBS, PRED)" CA 71 5.758 1 27 1 5 1 "RMS(OBS, PRED)" CB 62 21.068 1 28 1 5 1 "RMS(OBS, PRED)" H 66 0.686 1 29 1 5 1 "RMS(OBS, PRED)" HA 62 0.547 1 30 1 5 1 "RMS(OBS, PRED)" N 66 7.987 1 31 1 6 1 "RMS(OBS, PRED)" C 65 2.867 1 32 1 6 1 "RMS(OBS, PRED)" CA 71 5.718 1 33 1 6 1 "RMS(OBS, PRED)" CB 62 21.190 1 34 1 6 1 "RMS(OBS, PRED)" H 66 0.702 1 35 1 6 1 "RMS(OBS, PRED)" HA 62 0.526 1 36 1 6 1 "RMS(OBS, PRED)" N 66 8.081 1 37 1 7 1 "RMS(OBS, PRED)" C 65 2.848 1 38 1 7 1 "RMS(OBS, PRED)" CA 71 5.754 1 39 1 7 1 "RMS(OBS, PRED)" CB 62 21.104 1 40 1 7 1 "RMS(OBS, PRED)" H 66 0.683 1 41 1 7 1 "RMS(OBS, PRED)" HA 62 0.548 1 42 1 7 1 "RMS(OBS, PRED)" N 66 8.032 1 43 1 8 1 "RMS(OBS, PRED)" C 65 2.873 1 44 1 8 1 "RMS(OBS, PRED)" CA 71 5.729 1 45 1 8 1 "RMS(OBS, PRED)" CB 62 21.064 1 46 1 8 1 "RMS(OBS, PRED)" H 66 0.687 1 47 1 8 1 "RMS(OBS, PRED)" HA 62 0.546 1 48 1 8 1 "RMS(OBS, PRED)" N 66 8.086 1 49 1 9 1 "RMS(OBS, PRED)" C 65 2.833 1 50 1 9 1 "RMS(OBS, PRED)" CA 71 5.763 1 51 1 9 1 "RMS(OBS, PRED)" CB 62 21.078 1 52 1 9 1 "RMS(OBS, PRED)" H 66 0.723 1 53 1 9 1 "RMS(OBS, PRED)" HA 62 0.586 1 54 1 9 1 "RMS(OBS, PRED)" N 66 8.056 1 55 1 10 1 "RMS(OBS, PRED)" C 65 2.857 1 56 1 10 1 "RMS(OBS, PRED)" CA 71 5.852 1 57 1 10 1 "RMS(OBS, PRED)" CB 62 21.012 1 58 1 10 1 "RMS(OBS, PRED)" H 66 0.678 1 59 1 10 1 "RMS(OBS, PRED)" HA 62 0.544 1 60 1 10 1 "RMS(OBS, PRED)" N 66 8.088 1 61 1 11 1 "RMS(OBS, PRED)" C 65 2.751 1 62 1 11 1 "RMS(OBS, PRED)" CA 71 5.782 1 63 1 11 1 "RMS(OBS, PRED)" CB 62 21.151 1 64 1 11 1 "RMS(OBS, PRED)" H 66 0.691 1 65 1 11 1 "RMS(OBS, PRED)" HA 62 0.569 1 66 1 11 1 "RMS(OBS, PRED)" N 66 8.103 1 67 1 12 1 "RMS(OBS, PRED)" C 65 2.814 1 68 1 12 1 "RMS(OBS, PRED)" CA 71 5.792 1 69 1 12 1 "RMS(OBS, PRED)" CB 62 21.191 1 70 1 12 1 "RMS(OBS, PRED)" H 66 0.664 1 71 1 12 1 "RMS(OBS, PRED)" HA 62 0.555 1 72 1 12 1 "RMS(OBS, PRED)" N 66 7.966 1 73 1 13 1 "RMS(OBS, PRED)" C 65 2.805 1 74 1 13 1 "RMS(OBS, PRED)" CA 71 5.773 1 75 1 13 1 "RMS(OBS, PRED)" CB 62 21.115 1 76 1 13 1 "RMS(OBS, PRED)" H 66 0.699 1 77 1 13 1 "RMS(OBS, PRED)" HA 62 0.542 1 78 1 13 1 "RMS(OBS, PRED)" N 66 8.186 1 79 1 14 1 "RMS(OBS, PRED)" C 65 2.960 1 80 1 14 1 "RMS(OBS, PRED)" CA 71 5.717 1 81 1 14 1 "RMS(OBS, PRED)" CB 62 21.100 1 82 1 14 1 "RMS(OBS, PRED)" H 66 0.725 1 83 1 14 1 "RMS(OBS, PRED)" HA 62 0.558 1 84 1 14 1 "RMS(OBS, PRED)" N 66 8.178 1 85 1 15 1 "RMS(OBS, PRED)" C 65 2.928 1 86 1 15 1 "RMS(OBS, PRED)" CA 71 5.688 1 87 1 15 1 "RMS(OBS, PRED)" CB 62 21.124 1 88 1 15 1 "RMS(OBS, PRED)" H 66 0.750 1 89 1 15 1 "RMS(OBS, PRED)" HA 62 0.561 1 90 1 15 1 "RMS(OBS, PRED)" N 66 8.205 1 91 1 16 1 "RMS(OBS, PRED)" C 65 2.888 1 92 1 16 1 "RMS(OBS, PRED)" CA 71 5.812 1 93 1 16 1 "RMS(OBS, PRED)" CB 62 21.080 1 94 1 16 1 "RMS(OBS, PRED)" H 66 0.718 1 95 1 16 1 "RMS(OBS, PRED)" HA 62 0.571 1 96 1 16 1 "RMS(OBS, PRED)" N 66 7.987 1 97 1 17 1 "RMS(OBS, PRED)" C 65 2.901 1 98 1 17 1 "RMS(OBS, PRED)" CA 71 5.781 1 99 1 17 1 "RMS(OBS, PRED)" CB 62 20.955 1 100 1 17 1 "RMS(OBS, PRED)" H 66 0.711 1 101 1 17 1 "RMS(OBS, PRED)" HA 62 0.558 1 102 1 17 1 "RMS(OBS, PRED)" N 66 8.285 1 103 1 18 1 "RMS(OBS, PRED)" C 65 2.868 1 104 1 18 1 "RMS(OBS, PRED)" CA 71 5.732 1 105 1 18 1 "RMS(OBS, PRED)" CB 62 21.156 1 106 1 18 1 "RMS(OBS, PRED)" H 66 0.711 1 107 1 18 1 "RMS(OBS, PRED)" HA 62 0.559 1 108 1 18 1 "RMS(OBS, PRED)" N 66 8.116 1 109 1 19 1 "RMS(OBS, PRED)" C 65 2.892 1 110 1 19 1 "RMS(OBS, PRED)" CA 71 5.757 1 111 1 19 1 "RMS(OBS, PRED)" CB 62 21.155 1 112 1 19 1 "RMS(OBS, PRED)" H 66 0.697 1 113 1 19 1 "RMS(OBS, PRED)" HA 62 0.544 1 114 1 19 1 "RMS(OBS, PRED)" N 66 8.147 1 115 1 20 1 "RMS(OBS, PRED)" C 65 2.874 1 116 1 20 1 "RMS(OBS, PRED)" CA 71 5.705 1 117 1 20 1 "RMS(OBS, PRED)" CB 62 21.203 1 118 1 20 1 "RMS(OBS, PRED)" H 66 0.675 1 119 1 20 1 "RMS(OBS, PRED)" HA 62 0.567 1 120 1 20 1 "RMS(OBS, PRED)" N 66 8.099 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 1 246 . 1 1 A 42 42 THR H H 22 8.820 7.955 0.865 2 1 247 . 1 1 A 42 42 THR HA H 22 4.800 4.578 0.222 2 1 252 . 1 1 A 42 42 THR C C 22 170.950 175.213 -4.263 2 1 253 . 1 1 A 42 42 THR CA C 22 60.870 55.564 5.306 2 1 254 . 1 1 A 42 42 THR CB C 22 71.510 33.692 37.818 2 1 256 . 1 1 A 42 42 THR N N 22 116.000 118.715 -2.715 2 1 257 . 1 1 A 43 43 VAL H H 23 8.140 8.638 -0.498 2 1 258 . 1 1 A 43 43 VAL HA H 23 4.830 4.576 0.254 2 1 266 . 1 1 A 43 43 VAL C C 23 176.470 174.655 1.815 2 1 267 . 1 1 A 43 43 VAL CA C 23 61.540 60.868 0.672 2 1 268 . 1 1 A 43 43 VAL CB C 23 32.270 33.847 -1.577 2 1 271 . 1 1 A 43 43 VAL N N 23 125.850 122.745 3.105 2 1 272 . 1 1 A 44 44 ILE H H 24 9.350 8.739 0.611 2 1 273 . 1 1 A 44 44 ILE HA H 24 4.220 4.418 -0.199 2 1 283 . 1 1 A 44 44 ILE C C 24 176.050 174.034 2.016 2 1 284 . 1 1 A 44 44 ILE CA C 24 60.880 62.883 -2.003 2 1 285 . 1 1 A 44 44 ILE CB C 24 40.830 68.969 -28.139 2 1 289 . 1 1 A 44 44 ILE N N 24 128.460 123.437 5.023 2 1 290 . 1 1 A 45 45 ASP H H 25 9.450 8.979 0.471 2 1 291 . 1 1 A 45 45 ASP HA H 25 4.320 4.929 -0.609 2 1 294 . 1 1 A 45 45 ASP C C 25 176.060 175.958 0.102 2 1 295 . 1 1 A 45 45 ASP CA C 25 55.170 53.965 1.205 2 1 296 . 1 1 A 45 45 ASP CB C 25 39.870 41.335 -1.465 2 1 297 . 1 1 A 45 45 ASP N N 25 129.730 128.470 1.260 2 1 298 . 1 1 A 46 46 GLY H H 26 8.360 8.833 -0.473 2 1 301 . 1 1 A 46 46 GLY C C 26 173.150 175.635 -2.485 2 1 302 . 1 1 A 46 46 GLY CA C 26 46.190 61.836 -15.646 2 1 303 . 1 1 A 46 46 GLY N N 26 102.380 125.412 -23.032 2 1 304 . 1 1 A 47 47 LYS H H 27 8.000 8.780 -0.780 2 1 305 . 1 1 A 47 47 LYS HA H 27 4.780 4.600 0.180 2 1 314 . 1 1 A 47 47 LYS C C 27 177.050 177.487 -0.437 2 1 315 . 1 1 A 47 47 LYS CA C 27 54.870 55.221 -0.351 2 1 316 . 1 1 A 47 47 LYS CB C 27 36.020 31.542 4.478 2 1 320 . 1 1 A 47 47 LYS N N 27 121.330 126.690 -5.360 2 1 321 . 1 1 A 48 48 VAL H H 28 8.160 8.723 -0.563 2 1 322 . 1 1 A 48 48 VAL HA H 28 4.450 4.134 0.316 2 1 330 . 1 1 A 48 48 VAL C C 28 174.640 177.837 -3.197 2 1 331 . 1 1 A 48 48 VAL CA C 28 60.800 64.376 -3.576 2 1 332 . 1 1 A 48 48 VAL CB C 28 32.310 37.671 -5.361 2 1 335 . 1 1 A 48 48 VAL N N 28 119.880 123.821 -3.941 2 1 336 . 1 1 A 49 49 TYR H H 29 9.130 8.389 0.741 2 1 337 . 1 1 A 49 49 TYR HA H 29 5.200 4.077 1.123 2 1 344 . 1 1 A 49 49 TYR C C 29 174.540 179.675 -5.135 2 1 345 . 1 1 A 49 49 TYR CA C 29 56.640 55.552 1.088 2 1 346 . 1 1 A 49 49 TYR CB C 29 43.420 18.115 25.305 2 1 349 . 1 1 A 49 49 TYR N N 29 124.890 123.283 1.607 2 1 350 . 1 1 A 50 50 ASP H H 30 9.000 8.081 0.919 2 1 351 . 1 1 A 50 50 ASP HA H 30 5.330 4.426 0.904 2 1 354 . 1 1 A 50 50 ASP C C 30 176.020 178.755 -2.735 2 1 355 . 1 1 A 50 50 ASP CA C 30 53.180 57.418 -4.238 2 1 356 . 1 1 A 50 50 ASP CB C 30 40.910 40.965 -0.055 2 1 357 . 1 1 A 50 50 ASP N N 30 119.790 118.658 1.132 2 1 358 . 1 1 A 51 51 ILE H H 31 8.700 8.078 0.622 2 1 359 . 1 1 A 51 51 ILE HA H 31 3.710 4.210 -0.500 2 1 369 . 1 1 A 51 51 ILE C C 31 178.070 179.102 -1.032 2 1 370 . 1 1 A 51 51 ILE CA C 31 60.750 58.157 2.593 2 1 371 . 1 1 A 51 51 ILE CB C 31 35.230 41.683 -6.453 2 1 375 . 1 1 A 51 51 ILE N N 31 125.270 120.556 4.714 2 1 376 . 1 1 A 52 52 LYS H H 32 8.030 8.019 0.011 2 1 377 . 1 1 A 52 52 LYS HA H 32 4.340 3.953 0.387 2 1 386 . 1 1 A 52 52 LYS C C 32 179.540 179.294 0.246 2 1 387 . 1 1 A 52 52 LYS CA C 32 59.380 59.834 -0.454 2 1 388 . 1 1 A 52 52 LYS CB C 32 31.930 29.346 2.583 2 1 392 . 1 1 A 52 52 LYS N N 32 120.520 118.179 2.341 2 1 393 . 1 1 A 53 53 ASP H H 33 7.810 8.102 -0.292 2 1 394 . 1 1 A 53 53 ASP HA H 33 4.620 4.446 0.174 2 1 397 . 1 1 A 53 53 ASP C C 33 177.670 177.893 -0.223 2 1 398 . 1 1 A 53 53 ASP CA C 33 56.840 56.131 0.709 2 1 399 . 1 1 A 53 53 ASP CB C 33 41.220 38.148 3.072 2 1 400 . 1 1 A 53 53 ASP N N 33 120.590 117.908 2.682 2 1 401 . 1 1 A 54 54 PHE H H 34 7.660 7.883 -0.223 2 1 402 . 1 1 A 54 54 PHE HA H 34 3.100 4.041 -0.941 2 1 410 . 1 1 A 54 54 PHE C C 34 176.960 176.968 -0.008 2 1 411 . 1 1 A 54 54 PHE CA C 34 60.670 59.465 1.204 2 1 412 . 1 1 A 54 54 PHE CB C 34 38.870 29.180 9.690 2 1 416 . 1 1 A 54 54 PHE N N 34 120.480 120.245 0.235 2 1 417 . 1 1 A 55 55 GLN H H 35 8.860 8.165 0.695 2 1 418 . 1 1 A 55 55 GLN HA H 35 3.660 4.365 -0.705 2 1 425 . 1 1 A 55 55 GLN C C 35 178.510 177.542 0.968 2 1 426 . 1 1 A 55 55 GLN CA C 35 58.980 56.727 2.253 2 1 427 . 1 1 A 55 55 GLN CB C 35 29.450 38.955 -9.505 2 1 429 . 1 1 A 55 55 GLN N N 35 119.060 116.961 2.099 2 1 431 . 1 1 A 56 56 THR H H 36 8.150 8.005 0.145 2 1 432 . 1 1 A 56 56 THR HA H 36 3.930 4.465 -0.535 2 1 437 . 1 1 A 56 56 THR C C 36 176.550 177.117 -0.567 2 1 438 . 1 1 A 56 56 THR CA C 36 66.070 55.973 10.097 2 1 439 . 1 1 A 56 56 THR CB C 36 69.030 38.684 30.346 2 1 441 . 1 1 A 56 56 THR N N 36 115.130 117.352 -2.222 2 1 442 . 1 1 A 57 57 GLN H H 37 8.230 7.535 0.695 2 1 443 . 1 1 A 57 57 GLN HA H 37 4.210 4.531 -0.321 2 1 450 . 1 1 A 57 57 GLN CA C 37 58.050 54.370 3.680 2 1 451 . 1 1 A 57 57 GLN CB C 37 28.290 41.043 -12.753 2 1 453 . 1 1 A 57 57 GLN N N 37 119.670 117.083 2.587 2 1 458 . 1 1 A 58 58 SER C C 38 174.020 174.797 -0.777 2 1 459 . 1 1 A 58 58 SER CA C 38 60.500 45.231 15.269 2 1 461 . 1 1 A 59 59 LEU H H 39 7.320 7.622 -0.302 2 1 465 . 1 1 A 59 59 LEU CA C 39 55.140 45.962 9.178 2 1 467 . 1 1 A 59 59 LEU N N 39 120.250 107.572 12.678 2 1 468 . 1 1 A 60 60 THR H H 40 7.510 8.911 -1.401 2 1 469 . 1 1 A 60 60 THR HA H 40 4.250 4.859 -0.609 2 1 474 . 1 1 A 60 60 THR C C 40 174.900 174.489 0.411 2 1 475 . 1 1 A 60 60 THR CA C 40 62.320 57.274 5.046 2 1 476 . 1 1 A 60 60 THR CB C 40 70.110 39.456 30.654 2 1 478 . 1 1 A 60 60 THR N N 40 112.820 125.984 -13.164 2 1 479 . 1 1 A 61 61 GLU H H 41 8.510 8.910 -0.400 2 1 480 . 1 1 A 61 61 GLU HA H 41 4.100 5.461 -1.361 2 1 485 . 1 1 A 61 61 GLU C C 41 176.720 175.353 1.367 2 1 486 . 1 1 A 61 61 GLU CA C 41 57.840 56.203 1.637 2 1 487 . 1 1 A 61 61 GLU CB C 41 29.840 32.271 -2.431 2 1 489 . 1 1 A 61 61 GLU N N 41 123.410 127.566 -4.156 2 1 490 . 1 1 A 62 62 ASN H H 42 8.600 8.667 -0.067 2 1 491 . 1 1 A 62 62 ASN HA H 42 4.580 4.895 -0.315 2 1 496 . 1 1 A 62 62 ASN C C 42 174.940 172.116 2.824 2 1 497 . 1 1 A 62 62 ASN CA C 42 53.760 60.110 -6.350 2 1 498 . 1 1 A 62 62 ASN CB C 42 38.130 71.632 -33.502 2 1 499 . 1 1 A 62 62 ASN N N 42 117.760 114.927 2.833 2 1 501 . 1 1 A 63 63 SER H H 43 7.800 8.726 -0.926 2 1 502 . 1 1 A 63 63 SER HA H 43 4.400 4.919 -0.519 2 1 505 . 1 1 A 63 63 SER C C 43 177.320 174.557 2.763 2 1 506 . 1 1 A 63 63 SER CA C 43 58.730 60.826 -2.096 2 1 507 . 1 1 A 63 63 SER CB C 43 64.210 32.875 31.335 2 1 508 . 1 1 A 63 63 SER N N 43 114.610 125.388 -10.778 2 1 509 . 1 1 A 64 64 ILE H H 44 8.710 8.841 -0.131 2 1 510 . 1 1 A 64 64 ILE HA H 44 4.180 4.524 -0.344 2 1 520 . 1 1 A 64 64 ILE C C 44 176.550 175.974 0.577 2 1 521 . 1 1 A 64 64 ILE CA C 44 63.280 60.234 3.046 2 1 522 . 1 1 A 64 64 ILE CB C 44 38.110 40.196 -2.086 2 1 526 . 1 1 A 64 64 ILE N N 44 125.240 128.549 -3.309 2 1 527 . 1 1 A 65 65 LEU H H 45 8.160 9.455 -1.295 2 1 528 . 1 1 A 65 65 LEU HA H 45 4.450 4.302 0.148 2 1 538 . 1 1 A 65 65 LEU C C 45 177.800 175.461 2.339 2 1 539 . 1 1 A 65 65 LEU CA C 45 54.820 55.133 -0.313 2 1 540 . 1 1 A 65 65 LEU CB C 45 41.790 39.823 1.967 2 1 544 . 1 1 A 65 65 LEU N N 45 118.980 128.030 -9.050 2 1 545 . 1 1 A 66 66 ALA H H 46 7.700 8.696 -0.996 2 1 550 . 1 1 A 66 66 ALA C C 46 179.870 173.770 6.100 2 1 551 . 1 1 A 66 66 ALA CA C 46 54.980 45.617 9.363 2 1 553 . 1 1 A 66 66 ALA N N 46 122.830 104.092 18.738 2 1 554 . 1 1 A 67 67 GLN H H 47 7.920 7.759 0.161 2 1 555 . 1 1 A 67 67 GLN HA H 47 4.110 4.685 -0.575 2 1 562 . 1 1 A 67 67 GLN C C 47 175.990 175.145 0.845 2 1 563 . 1 1 A 67 67 GLN CA C 47 57.170 54.143 3.027 2 1 564 . 1 1 A 67 67 GLN CB C 47 28.180 35.016 -6.836 2 1 566 . 1 1 A 67 67 GLN N N 47 115.030 120.167 -5.137 2 1 568 . 1 1 A 68 68 PHE H H 48 7.790 8.292 -0.502 2 1 569 . 1 1 A 68 68 PHE HA H 48 4.690 4.767 -0.077 2 1 576 . 1 1 A 68 68 PHE C C 48 175.620 174.353 1.267 2 1 577 . 1 1 A 68 68 PHE CA C 48 57.220 60.959 -3.739 2 1 578 . 1 1 A 68 68 PHE CB C 48 39.320 32.727 6.593 2 1 581 . 1 1 A 68 68 PHE N N 48 118.560 121.820 -3.260 2 1 582 . 1 1 A 69 69 ALA H H 49 7.600 8.975 -1.375 2 1 583 . 1 1 A 69 69 ALA HA H 49 4.120 5.322 -1.202 2 1 587 . 1 1 A 69 69 ALA C C 49 178.250 174.442 3.808 2 1 588 . 1 1 A 69 69 ALA CA C 49 53.920 56.075 -2.155 2 1 589 . 1 1 A 69 69 ALA CB C 49 18.660 42.326 -23.666 2 1 590 . 1 1 A 69 69 ALA N N 49 123.340 126.374 -3.034 2 1 591 . 1 1 A 70 70 GLY H H 50 8.500 8.571 -0.071 2 1 594 . 1 1 A 70 70 GLY C C 50 174.070 176.252 -2.183 2 1 595 . 1 1 A 70 70 GLY CA C 50 45.390 53.077 -7.687 2 1 596 . 1 1 A 70 70 GLY N N 50 108.770 122.534 -13.764 2 1 597 . 1 1 A 71 71 GLU H H 51 7.800 8.742 -0.942 2 1 598 . 1 1 A 71 71 GLU HA H 51 4.430 4.099 0.331 2 1 603 . 1 1 A 71 71 GLU C C 51 176.220 177.815 -1.595 2 1 604 . 1 1 A 71 71 GLU CA C 51 55.430 63.475 -8.045 2 1 605 . 1 1 A 71 71 GLU CB C 51 30.980 38.428 -7.448 2 1 607 . 1 1 A 71 71 GLU N N 51 119.390 123.978 -4.588 2 1 608 . 1 1 A 72 72 ASP H H 52 8.830 8.101 0.729 2 1 609 . 1 1 A 72 72 ASP HA H 52 4.850 4.148 0.702 2 1 612 . 1 1 A 72 72 ASP CA C 52 52.110 59.634 -7.524 2 1 613 . 1 1 A 72 72 ASP CB C 52 42.070 32.279 9.791 2 1 614 . 1 1 A 72 72 ASP N N 52 123.830 122.306 1.524 2 1 615 . 1 1 A 73 73 PRO HA H 53 4.410 4.498 -0.088 2 1 622 . 1 1 A 73 73 PRO C C 53 177.290 178.619 -1.329 2 1 623 . 1 1 A 73 73 PRO CA C 53 64.940 57.322 7.618 2 1 624 . 1 1 A 73 73 PRO CB C 53 32.130 40.783 -8.653 2 1 627 . 1 1 A 74 74 VAL H H 54 7.950 8.266 -0.316 2 1 628 . 1 1 A 74 74 VAL HA H 54 3.360 3.918 -0.558 2 1 636 . 1 1 A 74 74 VAL C C 54 177.540 177.720 -0.180 2 1 637 . 1 1 A 74 74 VAL CA C 54 66.820 61.944 4.876 2 1 638 . 1 1 A 74 74 VAL CB C 54 31.310 39.089 -7.779 2 1 641 . 1 1 A 74 74 VAL N N 54 118.670 120.695 -2.025 2 1 642 . 1 1 A 75 75 VAL H H 55 7.090 8.470 -1.380 2 1 643 . 1 1 A 75 75 VAL HA H 55 3.620 4.175 -0.555 2 1 651 . 1 1 A 75 75 VAL C C 55 175.050 178.085 -3.035 2 1 652 . 1 1 A 75 75 VAL CA C 55 65.440 58.614 6.826 2 1 653 . 1 1 A 75 75 VAL CB C 55 32.210 27.816 4.394 2 1 656 . 1 1 A 75 75 VAL N N 55 120.340 117.698 2.642 2 1 657 . 1 1 A 76 76 ALA H H 56 8.050 7.749 0.301 2 1 658 . 1 1 A 76 76 ALA HA H 56 3.870 3.898 -0.028 2 1 662 . 1 1 A 76 76 ALA C C 56 178.160 177.054 1.106 2 1 663 . 1 1 A 76 76 ALA CA C 56 54.840 66.979 -12.139 2 1 664 . 1 1 A 76 76 ALA CB C 56 19.250 68.391 -49.141 2 1 665 . 1 1 A 76 76 ALA N N 56 121.910 118.650 3.260 2 1 666 . 1 1 A 77 77 LEU H H 57 7.720 7.730 -0.010 2 1 667 . 1 1 A 77 77 LEU HA H 57 3.170 4.193 -1.023 2 1 677 . 1 1 A 77 77 LEU C C 57 178.010 178.247 -0.237 2 1 678 . 1 1 A 77 77 LEU CA C 57 58.260 58.229 0.031 2 1 679 . 1 1 A 77 77 LEU CB C 57 39.970 28.097 11.873 2 1 683 . 1 1 A 77 77 LEU N N 57 120.030 120.074 -0.044 2 1 684 . 1 1 A 78 78 GLU H H 58 7.840 7.767 0.073 2 1 685 . 1 1 A 78 78 GLU HA H 58 3.510 4.280 -0.770 2 1 690 . 1 1 A 78 78 GLU C C 58 179.140 175.938 3.202 2 1 691 . 1 1 A 78 78 GLU CA C 58 60.290 60.711 -0.421 2 1 692 . 1 1 A 78 78 GLU CB C 58 29.420 63.000 -33.580 2 1 694 . 1 1 A 78 78 GLU N N 58 116.990 116.205 0.785 2 1 695 . 1 1 A 79 79 ALA H H 59 7.710 7.607 0.103 2 1 696 . 1 1 A 79 79 ALA HA H 59 3.940 4.219 -0.279 2 1 700 . 1 1 A 79 79 ALA C C 59 180.360 177.010 3.350 2 1 701 . 1 1 A 79 79 ALA CA C 59 54.790 56.568 -1.778 2 1 702 . 1 1 A 79 79 ALA CB C 59 17.930 41.819 -23.890 2 1 703 . 1 1 A 79 79 ALA N N 59 120.690 120.834 -0.144 2 1 704 . 1 1 A 80 80 ALA H H 60 8.220 7.504 0.716 2 1 705 . 1 1 A 80 80 ALA HA H 60 3.970 4.408 -0.438 2 1 709 . 1 1 A 80 80 ALA C C 60 180.570 175.201 5.369 2 1 710 . 1 1 A 80 80 ALA CA C 60 54.160 62.774 -8.614 2 1 711 . 1 1 A 80 80 ALA CB C 60 18.830 69.549 -50.719 2 1 712 . 1 1 A 80 80 ALA N N 60 122.230 113.920 8.310 2 1 713 . 1 1 A 81 81 LEU H H 61 7.800 8.884 -1.084 2 1 714 . 1 1 A 81 81 LEU HA H 61 3.890 4.052 -0.162 2 1 724 . 1 1 A 81 81 LEU C C 61 177.590 177.263 0.327 2 1 725 . 1 1 A 81 81 LEU CA C 61 56.650 58.941 -2.291 2 1 726 . 1 1 A 81 81 LEU CB C 61 42.630 29.415 13.215 2 1 730 . 1 1 A 81 81 LEU N N 61 116.150 125.722 -9.572 2 1 731 . 1 1 A 82 82 GLN H H 62 7.450 7.943 -0.493 2 1 732 . 1 1 A 82 82 GLN HA H 62 4.250 4.780 -0.530 2 1 739 . 1 1 A 82 82 GLN C C 62 176.120 174.470 1.650 2 1 740 . 1 1 A 82 82 GLN CA C 62 55.880 53.173 2.707 2 1 741 . 1 1 A 82 82 GLN CB C 62 29.330 37.955 -8.625 2 1 743 . 1 1 A 82 82 GLN N N 62 115.740 117.716 -1.976 2 1 745 . 1 1 A 83 83 PHE H H 63 7.300 7.807 -0.507 2 1 746 . 1 1 A 83 83 PHE HA H 63 4.900 4.763 0.137 2 1 753 . 1 1 A 83 83 PHE C C 63 176.470 174.996 1.474 2 1 754 . 1 1 A 83 83 PHE CA C 63 56.260 57.503 -1.243 2 1 755 . 1 1 A 83 83 PHE CB C 63 39.000 65.274 -26.274 2 1 758 . 1 1 A 83 83 PHE N N 63 120.420 116.540 3.880 2 1 759 . 1 1 A 84 84 GLU H H 64 9.090 8.726 0.364 2 1 760 . 1 1 A 84 84 GLU HA H 64 3.850 3.869 -0.019 2 1 765 . 1 1 A 84 84 GLU C C 64 178.010 176.576 1.434 2 1 766 . 1 1 A 84 84 GLU CA C 64 59.910 63.911 -4.001 2 1 767 . 1 1 A 84 84 GLU CB C 64 29.640 37.823 -8.183 2 1 769 . 1 1 A 84 84 GLU N N 64 126.260 122.643 3.617 2 1 770 . 1 1 A 85 85 ASP H H 65 7.670 7.715 -0.045 2 1 771 . 1 1 A 85 85 ASP HA H 65 4.480 4.619 -0.139 2 1 774 . 1 1 A 85 85 ASP C C 65 177.530 178.199 -0.669 2 1 775 . 1 1 A 85 85 ASP CA C 65 56.290 55.392 0.898 2 1 776 . 1 1 A 85 85 ASP CB C 65 40.480 41.650 -1.170 2 1 777 . 1 1 A 85 85 ASP N N 65 114.070 121.619 -7.549 2 1 778 . 1 1 A 86 86 THR H H 66 7.560 7.681 -0.121 2 1 779 . 1 1 A 86 86 THR HA H 66 4.530 4.059 0.471 2 1 784 . 1 1 A 86 86 THR C C 66 176.820 179.908 -3.088 2 1 785 . 1 1 A 86 86 THR CA C 66 62.380 54.933 7.447 2 1 786 . 1 1 A 86 86 THR CB C 66 70.200 18.111 52.089 2 1 788 . 1 1 A 86 86 THR N N 66 106.640 122.625 -15.985 2 1 789 . 1 1 A 87 87 ARG H H 67 8.100 8.264 -0.164 2 1 790 . 1 1 A 87 87 ARG HA H 67 4.020 4.037 -0.017 2 1 797 . 1 1 A 87 87 ARG C C 67 178.760 176.341 2.419 2 1 798 . 1 1 A 87 87 ARG CA C 67 61.140 57.653 3.487 2 1 799 . 1 1 A 87 87 ARG CB C 67 30.220 27.346 2.874 2 1 802 . 1 1 A 87 87 ARG N N 67 124.220 115.664 8.556 2 1 803 . 1 1 A 88 88 GLU H H 68 8.790 7.670 1.120 2 1 804 . 1 1 A 88 88 GLU HA H 68 4.090 4.594 -0.504 2 1 809 . 1 1 A 88 88 GLU C C 68 179.320 176.114 3.206 2 1 810 . 1 1 A 88 88 GLU CA C 68 59.150 57.835 1.315 2 1 811 . 1 1 A 88 88 GLU CB C 68 28.930 38.885 -9.955 2 1 813 . 1 1 A 88 88 GLU N N 68 118.790 117.849 0.941 2 1 814 . 1 1 A 89 89 SER H H 69 8.140 7.729 0.411 2 1 815 . 1 1 A 89 89 SER HA H 69 4.390 4.156 0.234 2 1 818 . 1 1 A 89 89 SER C C 69 176.100 178.745 -2.645 2 1 819 . 1 1 A 89 89 SER CA C 69 61.000 54.337 6.663 2 1 820 . 1 1 A 89 89 SER CB C 69 63.190 18.322 44.868 2 1 821 . 1 1 A 89 89 SER N N 69 115.570 122.984 -7.414 2 1 822 . 1 1 A 90 90 MET H H 70 7.690 8.387 -0.697 2 1 831 . 1 1 A 90 90 MET C C 70 177.990 173.894 4.096 2 1 832 . 1 1 A 90 90 MET CA C 70 55.140 45.360 9.780 2 1 836 . 1 1 A 90 90 MET N N 70 118.160 107.977 10.183 2 1 837 . 1 1 A 91 91 HIS H H 71 7.740 7.688 0.052 2 1 838 . 1 1 A 91 91 HIS HA H 71 4.430 4.737 -0.307 2 1 842 . 1 1 A 91 91 HIS C C 71 177.460 175.301 2.159 2 1 843 . 1 1 A 91 91 HIS CA C 71 58.830 55.125 3.705 2 1 844 . 1 1 A 91 91 HIS CB C 71 29.680 32.144 -2.464 2 1 846 . 1 1 A 91 91 HIS N N 71 118.990 121.363 -2.373 2 1 847 . 1 1 A 92 92 ALA H H 72 7.230 8.553 -1.323 2 1 848 . 1 1 A 92 92 ALA HA H 72 3.900 4.697 -0.797 2 1 852 . 1 1 A 92 92 ALA C C 72 177.850 176.631 1.219 2 1 853 . 1 1 A 92 92 ALA CA C 72 53.840 52.152 1.688 2 1 854 . 1 1 A 92 92 ALA CB C 72 18.250 41.828 -23.578 2 1 855 . 1 1 A 92 92 ALA N N 72 120.170 125.935 -5.765 2 1 857 . 1 1 A 93 93 PHE HA H 73 4.970 4.417 0.553 2 1 865 . 1 1 A 93 93 PHE C C 73 174.000 178.565 -4.565 2 1 866 . 1 1 A 93 93 PHE CA C 73 56.420 65.260 -8.840 2 1 867 . 1 1 A 93 93 PHE CB C 73 39.050 31.874 7.176 2 1 871 . 1 1 A 93 93 PHE N N 73 113.910 141.566 -27.656 2 1 872 . 1 1 A 94 94 CYS H H 74 7.690 6.809 0.881 2 1 873 . 1 1 A 94 94 CYS HA H 74 4.120 3.542 0.578 2 1 876 . 1 1 A 94 94 CYS C C 74 174.900 177.867 -2.967 2 1 877 . 1 1 A 94 94 CYS CA C 74 58.200 65.100 -6.899 2 1 878 . 1 1 A 94 94 CYS CB C 74 27.320 31.491 -4.171 2 1 879 . 1 1 A 94 94 CYS N N 74 121.190 116.393 4.797 2 1 880 . 1 1 A 95 95 VAL H H 75 8.770 7.907 0.863 2 1 881 . 1 1 A 95 95 VAL HA H 75 3.820 3.628 0.192 2 1 889 . 1 1 A 95 95 VAL C C 75 175.640 178.122 -2.482 2 1 890 . 1 1 A 95 95 VAL CA C 75 62.250 66.118 -3.867 2 1 891 . 1 1 A 95 95 VAL CB C 75 32.280 31.421 0.859 2 1 894 . 1 1 A 95 95 VAL N N 75 128.310 120.405 7.905 2 1 895 . 1 1 A 96 96 GLY H H 76 7.130 7.984 -0.854 2 1 898 . 1 1 A 96 96 GLY C C 76 171.220 179.522 -8.302 2 1 899 . 1 1 A 96 96 GLY CA C 76 44.940 54.966 -10.026 2 1 900 . 1 1 A 96 96 GLY N N 76 105.330 121.645 -16.315 2 1 901 . 1 1 A 97 97 GLN H H 77 8.590 7.531 1.059 2 1 902 . 1 1 A 97 97 GLN HA H 77 4.460 3.787 0.673 2 1 909 . 1 1 A 97 97 GLN C C 77 174.070 178.540 -4.470 2 1 910 . 1 1 A 97 97 GLN CA C 77 54.860 57.142 -2.282 2 1 911 . 1 1 A 97 97 GLN CB C 77 30.820 41.251 -10.431 2 1 913 . 1 1 A 97 97 GLN N N 77 120.500 120.311 0.189 2 1 915 . 1 1 A 98 98 TYR H H 78 8.440 8.035 0.405 2 1 916 . 1 1 A 98 98 TYR HA H 78 4.960 3.891 1.069 2 1 923 . 1 1 A 98 98 TYR C C 78 174.460 179.127 -4.667 2 1 924 . 1 1 A 98 98 TYR CA C 78 56.660 59.176 -2.516 2 1 925 . 1 1 A 98 98 TYR CB C 78 40.450 29.418 11.032 2 1 928 . 1 1 A 98 98 TYR N N 78 125.460 118.630 6.830 2 1 929 . 1 1 A 99 99 LEU H H 79 8.100 7.847 0.253 2 1 930 . 1 1 A 99 99 LEU HA H 79 4.360 4.113 0.247 2 1 940 . 1 1 A 99 99 LEU C C 79 173.790 180.190 -6.400 2 1 941 . 1 1 A 99 99 LEU CA C 79 53.110 54.763 -1.653 2 1 942 . 1 1 A 99 99 LEU CB C 79 43.200 18.127 25.073 2 1 946 . 1 1 A 99 99 LEU N N 79 131.670 123.026 8.643 2 1 947 . 1 1 A 100 100 GLU H H 80 8.160 7.487 0.673 2 1 948 . 1 1 A 100 100 GLU HA H 80 4.140 4.439 -0.299 2 1 953 . 1 1 A 100 100 GLU CA C 80 54.540 54.789 -0.249 2 1 954 . 1 1 A 100 100 GLU CB C 80 29.270 18.291 10.979 2 1 956 . 1 1 A 100 100 GLU N N 80 125.120 120.551 4.569 2 1 957 . 1 1 A 101 101 PRO HA H 81 4.380 3.991 0.389 2 1 964 . 1 1 A 101 101 PRO C C 81 177.370 179.016 -1.646 2 1 965 . 1 1 A 101 101 PRO CA C 81 64.050 57.650 6.400 2 1 966 . 1 1 A 101 101 PRO CB C 81 32.130 41.303 -9.173 2 1 969 . 1 1 A 102 102 ASP H H 82 8.430 7.657 0.773 2 1 970 . 1 1 A 102 102 ASP HA H 82 4.550 4.178 0.372 2 1 973 . 1 1 A 102 102 ASP C C 82 176.950 176.390 0.560 2 1 974 . 1 1 A 102 102 ASP CA C 82 54.680 58.244 -3.564 2 1 975 . 1 1 A 102 102 ASP CB C 82 40.630 29.156 11.474 2 1 976 . 1 1 A 102 102 ASP N N 82 118.470 117.559 0.911 2 1 977 . 1 1 A 103 103 GLN H H 83 8.230 7.706 0.524 2 1 978 . 1 1 A 103 103 GLN HA H 83 4.340 4.835 -0.495 2 1 985 . 1 1 A 103 103 GLN C C 83 176.210 176.508 -0.298 2 1 986 . 1 1 A 103 103 GLN CA C 83 55.640 57.251 -1.611 2 1 987 . 1 1 A 103 103 GLN CB C 83 29.630 39.885 -10.255 2 1 989 . 1 1 A 103 103 GLN N N 83 119.650 120.620 -0.970 2 1 991 . 1 1 A 104 104 GLU H H 84 8.250 8.680 -0.430 2 1 992 . 1 1 A 104 104 GLU HA H 84 4.220 4.019 0.201 2 1 997 . 1 1 A 104 104 GLU C C 84 177.100 178.063 -0.963 2 1 998 . 1 1 A 104 104 GLU CA C 84 57.220 59.015 -1.795 2 1 999 . 1 1 A 104 104 GLU CB C 84 30.320 28.905 1.415 2 1 1001 . 1 1 A 104 104 GLU N N 84 121.670 126.214 -4.544 2 1 1002 . 1 1 A 105 105 GLY H H 85 8.450 7.298 1.151 2 1 1005 . 1 1 A 105 105 GLY C C 85 174.000 177.706 -3.706 2 1 1006 . 1 1 A 105 105 GLY CA C 85 45.410 56.599 -11.190 2 1 1007 . 1 1 A 105 105 GLY N N 85 109.870 120.085 -10.215 2 1 1008 . 1 1 A 106 106 VAL H H 86 7.900 7.621 0.279 2 1 1009 . 1 1 A 106 106 VAL HA H 86 4.190 4.390 -0.200 2 1 1017 . 1 1 A 106 106 VAL C C 86 176.300 176.163 0.137 2 1 1018 . 1 1 A 106 106 VAL CA C 86 62.190 63.714 -1.524 2 1 1019 . 1 1 A 106 106 VAL CB C 86 32.860 69.476 -36.616 2 1 1022 . 1 1 A 106 106 VAL N N 86 119.330 111.442 7.889 2 1 1023 . 1 1 A 107 107 THR H H 87 8.320 8.271 0.049 2 1 1024 . 1 1 A 107 107 THR HA H 87 4.350 4.172 0.178 2 1 1029 . 1 1 A 107 107 THR C C 87 174.050 177.891 -3.841 2 1 1030 . 1 1 A 107 107 THR CA C 87 61.870 58.066 3.804 2 1 1031 . 1 1 A 107 107 THR CB C 87 69.910 29.523 40.387 2 1 1033 . 1 1 A 107 107 THR N N 87 119.480 122.338 -2.858 2 1 1034 . 1 1 A 108 108 ILE H H 88 8.360 8.391 -0.031 2 1 1035 . 1 1 A 108 108 ILE HA H 88 4.470 4.056 0.414 2 1 1045 . 1 1 A 108 108 ILE CA C 88 58.410 59.254 -0.843 2 1 1046 . 1 1 A 108 108 ILE CB C 88 38.530 29.101 9.429 2 1 1050 . 1 1 A 108 108 ILE N N 88 126.140 119.684 6.456 2 1 1051 . 1 1 A 109 109 PRO HA H 89 4.380 4.270 0.110 2 1 1058 . 1 1 A 109 109 PRO C C 89 176.290 176.717 -0.427 2 1 1059 . 1 1 A 109 109 PRO CA C 89 63.210 61.221 1.989 2 1 1060 . 1 1 A 109 109 PRO CB C 89 32.220 63.191 -30.971 2 1 1063 . 1 1 A 110 110 ASP H H 90 8.370 8.241 0.129 2 1 1064 . 1 1 A 110 110 ASP HA H 90 4.580 4.783 -0.203 2 1 1067 . 1 1 A 110 110 ASP C C 90 176.200 178.541 -2.341 2 1 1068 . 1 1 A 110 110 ASP CA C 90 54.290 57.382 -3.092 2 1 1069 . 1 1 A 110 110 ASP CB C 90 41.120 31.666 9.454 2 1 1070 . 1 1 A 110 110 ASP N N 90 120.470 119.703 0.767 2 1 1071 . 1 1 A 111 111 LEU H H 91 8.250 8.161 0.089 2 1 1072 . 1 1 A 111 111 LEU HA H 91 4.370 4.402 -0.032 2 1 1081 . 1 1 A 111 111 LEU C C 91 177.040 177.435 -0.395 2 1 1082 . 1 1 A 111 111 LEU CA C 91 55.060 59.214 -4.154 2 1 1083 . 1 1 A 111 111 LEU CB C 91 42.290 29.250 13.040 2 1 1086 . 1 1 A 111 111 LEU N N 91 123.570 118.593 4.977 2 1 1087 . 1 1 A 112 112 GLY H H 92 8.080 7.792 0.288 2 1 1090 . 1 1 A 112 112 GLY CA C 92 46.190 54.512 -8.322 2 stop_ save_