==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-SEP-10 2XSE . COMPND 2 MOLECULE: THYMINE DIOXYGENASE JBP1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA TARENTOLAE; . AUTHOR T.HEIDEBRECHT,E.CHRISTODOULOU,M.J.CHALMERS,S.JAN,B.TER RIETE . 160 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 395 A X > 0 0 118 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.6 -11.2 34.9 43.7 2 396 A V H > + 0 0 61 2,-0.2 4,-0.8 1,-0.2 94,-0.0 0.767 360.0 59.5 -71.8 -27.4 -14.2 34.4 41.3 3 397 A S H >> S+ 0 0 107 2,-0.2 4,-0.7 1,-0.2 3,-0.6 0.946 109.3 39.9 -64.6 -52.4 -16.2 33.1 44.4 4 398 A T H >> S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.881 111.0 59.5 -65.3 -38.2 -15.8 36.4 46.3 5 399 A A H 3< S+ 0 0 3 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.692 92.8 68.9 -62.7 -21.1 -16.3 38.4 43.0 6 400 A V H X< S+ 0 0 76 -4,-0.8 3,-0.6 -3,-0.6 -1,-0.2 0.907 108.5 34.1 -66.2 -44.3 -19.8 36.8 42.6 7 401 A E H X< S+ 0 0 118 -4,-0.7 3,-1.5 -3,-0.6 -2,-0.2 0.891 113.9 60.8 -70.1 -42.1 -21.2 38.7 45.6 8 402 A K G >< S+ 0 0 82 -4,-2.0 3,-1.5 1,-0.3 4,-0.3 0.442 77.1 94.7 -69.7 4.7 -19.0 41.7 44.7 9 403 A K G X S+ 0 0 38 -3,-0.6 3,-1.1 1,-0.3 -1,-0.3 0.797 75.8 62.8 -64.4 -30.2 -20.9 41.8 41.3 10 404 A K G X S+ 0 0 88 -3,-1.5 3,-1.8 1,-0.2 6,-0.3 0.654 82.4 82.1 -64.6 -16.0 -23.2 44.4 42.9 11 405 A Y G < S+ 0 0 97 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.756 90.9 49.3 -67.0 -24.5 -20.1 46.7 43.3 12 406 A L G < S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.3 2,-0.2 0.343 84.9 113.7 -93.8 3.8 -20.5 47.8 39.7 13 407 A D S X> S- 0 0 29 -3,-1.8 4,-2.1 1,-0.1 3,-1.6 -0.536 80.5-117.7 -67.3 142.6 -24.2 48.6 40.2 14 408 A S H 3> S+ 0 0 43 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.837 113.4 58.5 -51.1 -40.4 -24.9 52.3 39.9 15 409 A E H 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.748 111.1 41.3 -64.7 -27.1 -26.1 52.5 43.5 16 410 A F H <4 S+ 0 0 98 -3,-1.6 -1,-0.2 -6,-0.3 -2,-0.2 0.733 115.2 50.1 -90.5 -29.0 -22.8 51.2 44.8 17 411 A L H >X S+ 0 0 1 -4,-2.1 3,-2.4 2,-0.1 4,-0.8 0.811 84.8 112.5 -74.8 -30.4 -20.7 53.2 42.4 18 412 A L T 3< S+ 0 0 90 -4,-2.3 4,-0.1 1,-0.3 5,-0.1 -0.177 89.0 5.6 -51.6 130.1 -22.6 56.4 43.3 19 413 A H T 34 S+ 0 0 173 2,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.261 115.2 82.7 75.7 -5.9 -20.3 58.9 45.2 20 414 A C T <4 S+ 0 0 76 -3,-2.4 2,-0.3 2,-0.1 -2,-0.2 0.561 99.8 25.5-101.1 -14.0 -17.2 56.7 44.8 21 415 A I S < S- 0 0 15 -4,-0.8 -2,-0.5 1,-0.0 -1,-0.1 -0.906 104.0 -74.5-135.4 166.8 -16.4 58.0 41.2 22 416 A S > - 0 0 6 134,-0.3 4,-2.5 -2,-0.3 5,-0.2 -0.214 37.8-119.9 -60.8 152.3 -17.3 61.3 39.5 23 417 A A H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.887 114.5 53.3 -57.1 -41.5 -20.8 61.9 38.3 24 418 A Q H > S+ 0 0 106 131,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.886 110.5 44.6 -65.7 -40.0 -19.5 62.2 34.8 25 419 A L H > S+ 0 0 0 130,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.883 111.0 54.9 -71.9 -38.5 -17.7 58.8 34.8 26 420 A L H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.910 108.0 48.6 -60.2 -45.6 -20.7 57.2 36.5 27 421 A D H X S+ 0 0 79 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.884 110.1 52.1 -63.0 -38.0 -23.0 58.4 33.6 28 422 A X H X S+ 0 0 29 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.892 110.8 48.5 -61.6 -40.8 -20.4 57.1 31.0 29 423 A W H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.953 111.2 49.4 -64.0 -47.7 -20.5 53.7 32.8 30 424 A K H X S+ 0 0 93 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.925 115.8 43.2 -57.9 -47.2 -24.3 53.7 32.9 31 425 A Q H X S+ 0 0 124 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.899 114.8 48.0 -66.6 -43.3 -24.6 54.5 29.1 32 426 A A H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.889 112.7 49.2 -69.0 -37.0 -21.8 52.2 28.0 33 427 A R H X S+ 0 0 40 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.951 113.8 46.2 -63.8 -47.4 -23.3 49.2 30.0 34 428 A A H X S+ 0 0 56 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.903 111.6 51.8 -63.8 -41.0 -26.7 49.9 28.6 35 429 A R H X S+ 0 0 97 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.937 111.8 45.1 -61.7 -49.4 -25.4 50.2 25.0 36 430 A W H X S+ 0 0 0 -4,-2.2 4,-2.7 32,-0.2 -2,-0.2 0.941 113.9 49.0 -61.1 -48.6 -23.5 46.9 25.1 37 431 A L H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.886 109.0 52.4 -60.4 -41.6 -26.4 45.0 26.7 38 432 A E H X S+ 0 0 123 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.903 112.0 46.3 -59.8 -43.2 -28.9 46.3 24.2 39 433 A L H X S+ 0 0 35 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.908 112.1 50.2 -67.6 -40.8 -26.6 45.2 21.3 40 434 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.938 111.0 50.3 -58.2 -48.0 -26.1 41.8 22.9 41 435 A G H X S+ 0 0 19 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.839 110.8 48.5 -59.9 -41.5 -29.8 41.4 23.3 42 436 A K H X S+ 0 0 115 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.934 112.8 47.2 -63.5 -49.1 -30.5 42.3 19.7 43 437 A E H X S+ 0 0 23 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.919 113.5 49.1 -59.9 -43.4 -27.9 39.9 18.4 44 438 A W H X S+ 0 0 14 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.896 105.6 56.0 -62.6 -43.7 -29.2 37.1 20.6 45 439 A A H X S+ 0 0 59 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.885 109.0 48.3 -59.5 -41.5 -32.9 37.6 19.7 46 440 A H H X S+ 0 0 141 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.928 113.2 47.1 -62.0 -46.6 -31.9 37.1 16.0 47 441 A X H X S+ 0 0 21 -4,-2.0 4,-2.1 1,-0.2 3,-0.4 0.911 112.2 49.3 -61.7 -44.2 -29.9 33.9 16.8 48 442 A L H < S+ 0 0 60 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.837 104.8 58.9 -64.9 -36.5 -32.7 32.5 19.0 49 443 A A H < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.851 112.0 41.0 -57.2 -35.5 -35.2 33.2 16.2 50 444 A L H < S+ 0 0 156 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.771 134.9 16.8 -90.6 -26.8 -33.2 30.9 13.9 51 445 A N >< - 0 0 70 -4,-2.1 3,-1.9 -5,-0.1 -1,-0.3 -0.701 63.5-176.7-142.9 92.7 -32.4 28.2 16.5 52 446 A P T 3 S+ 0 0 76 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.728 84.6 56.7 -61.5 -18.9 -34.7 28.4 19.6 53 447 A E T 3 S+ 0 0 139 -5,-0.0 -5,-0.1 2,-0.0 -2,-0.0 0.503 78.3 120.6 -90.0 -8.2 -32.7 25.6 21.2 54 448 A R < - 0 0 44 -3,-1.9 65,-0.1 -7,-0.2 -3,-0.0 -0.259 35.0-179.4 -68.4 147.4 -29.3 27.2 21.1 55 449 A K + 0 0 121 63,-0.1 2,-0.3 60,-0.1 -1,-0.1 0.399 58.4 81.1-120.4 -8.7 -27.4 27.7 24.4 56 450 A D - 0 0 92 64,-0.0 2,-0.6 63,-0.0 63,-0.2 -0.826 65.7-143.3-102.2 144.8 -24.2 29.4 23.0 57 451 A F - 0 0 0 62,-0.9 2,-0.6 -2,-0.3 -13,-0.0 -0.935 15.4-144.8-105.5 119.1 -23.7 33.0 22.0 58 452 A L - 0 0 99 -2,-0.6 2,-0.7 -14,-0.0 -11,-0.1 -0.751 14.6-141.6 -83.4 120.2 -21.4 33.4 18.9 59 453 A W - 0 0 20 -2,-0.6 2,-0.6 6,-0.0 3,-0.0 -0.741 9.2-143.4 -87.1 114.5 -19.4 36.6 19.4 60 454 A K - 0 0 93 -2,-0.7 6,-0.3 1,-0.1 3,-0.2 -0.724 3.9-155.4 -82.9 120.9 -19.0 38.4 16.1 61 455 A N S S+ 0 0 106 -2,-0.6 2,-0.6 1,-0.2 -1,-0.1 0.737 88.4 47.2 -71.2 -26.8 -15.5 40.0 16.0 62 456 A Q S S+ 0 0 202 4,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.847 91.2 110.9-114.2 90.0 -16.5 42.7 13.5 63 457 A S S > S- 0 0 19 -2,-0.6 4,-2.1 -3,-0.2 5,-0.2 -0.983 78.1-113.7-152.6 157.1 -19.7 44.1 15.0 64 458 A E H > S+ 0 0 115 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.884 119.9 56.7 -55.8 -42.3 -21.2 47.1 16.6 65 459 A X H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 106.1 49.9 -55.0 -48.3 -21.6 44.9 19.8 66 460 A N H > S+ 0 0 41 -6,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.915 111.9 46.5 -59.4 -44.7 -17.8 44.2 19.7 67 461 A S H X S+ 0 0 36 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.903 111.8 51.9 -63.9 -42.5 -16.9 47.8 19.4 68 462 A A H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.843 107.2 53.5 -62.2 -34.8 -19.4 48.7 22.2 69 463 A F H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.932 106.8 51.5 -67.4 -44.7 -17.7 46.0 24.3 70 464 A F H X S+ 0 0 67 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.928 111.1 47.8 -52.1 -49.5 -14.2 47.6 23.8 71 465 A D H X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.881 109.2 53.1 -63.7 -39.7 -15.6 51.0 24.8 72 466 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.859 108.7 50.5 -61.6 -38.9 -17.2 49.4 27.9 73 467 A C H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.911 109.1 51.9 -63.4 -42.1 -13.8 47.9 28.8 74 468 A E H X S+ 0 0 12 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.922 114.1 42.4 -60.3 -46.3 -12.3 51.4 28.4 75 469 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.931 112.4 54.7 -65.2 -46.1 -14.9 52.9 30.7 76 470 A G H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.894 104.7 53.1 -53.5 -45.7 -14.6 50.0 33.1 77 471 A K H X S+ 0 0 50 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.910 110.1 47.6 -60.7 -41.2 -10.8 50.5 33.5 78 472 A Q H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.865 108.0 56.1 -67.9 -33.4 -11.3 54.1 34.3 79 473 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.938 107.9 49.2 -57.7 -48.7 -14.0 53.1 36.9 80 474 A X H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.942 112.0 47.0 -54.1 -52.7 -11.4 50.9 38.5 81 475 A L H X>S+ 0 0 7 -4,-2.2 5,-1.6 1,-0.2 4,-1.5 0.872 111.6 52.7 -60.3 -37.8 -8.9 53.7 38.6 82 476 A G H <5S+ 0 0 19 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.865 109.2 48.3 -61.6 -43.0 -11.6 56.1 40.0 83 477 A L H <5S+ 0 0 76 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.861 117.6 41.6 -65.3 -37.4 -12.4 53.6 42.8 84 478 A L H <5S- 0 0 60 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.699 100.6-135.1 -83.8 -20.6 -8.7 53.2 43.7 85 479 A G T <5 + 0 0 69 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.804 67.5 113.1 63.8 34.2 -8.0 56.9 43.3 86 480 A K < - 0 0 70 -5,-1.6 -1,-0.3 -6,-0.2 -2,-0.2 -0.804 67.8-141.4-128.8 163.2 -4.8 56.0 41.3 87 481 A E S S+ 0 0 96 1,-0.3 2,-0.4 -2,-0.3 -6,-0.1 0.668 96.9 33.3 -92.1 -26.4 -3.5 56.3 37.7 88 482 A V S S- 0 0 122 -7,-0.1 -1,-0.3 0, 0.0 2,-0.1 -0.980 79.3-147.8-136.9 116.5 -1.9 52.8 37.8 89 483 A A - 0 0 8 -2,-0.4 -8,-0.0 -3,-0.1 -9,-0.0 -0.388 25.7-103.8 -76.7 156.6 -3.3 49.9 39.7 90 484 A L >> - 0 0 88 1,-0.1 4,-2.4 -2,-0.1 3,-0.7 -0.591 36.1-116.4 -65.5 144.5 -1.4 47.0 41.3 91 485 A P H 3> S+ 0 0 97 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.861 117.4 55.4 -54.6 -35.6 -1.7 43.9 39.1 92 486 A K H 3> S+ 0 0 152 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.848 107.8 49.7 -65.0 -31.5 -3.6 42.1 42.0 93 487 A E H <> S+ 0 0 53 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.908 111.2 48.6 -70.9 -42.1 -6.1 45.0 42.0 94 488 A E H X S+ 0 0 54 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.920 110.7 50.2 -62.4 -45.1 -6.5 44.7 38.3 95 489 A Q H X S+ 0 0 113 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.929 112.2 48.1 -60.9 -43.7 -7.0 41.0 38.4 96 490 A A H X S+ 0 0 39 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.905 112.8 48.6 -62.0 -42.6 -9.7 41.4 41.1 97 491 A F H X S+ 0 0 13 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.943 109.4 49.9 -66.6 -46.4 -11.4 44.1 39.2 98 492 A W H X S+ 0 0 20 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.826 109.8 52.4 -65.7 -29.3 -11.6 42.2 35.9 99 493 A I H X S+ 0 0 29 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.949 111.6 45.8 -66.7 -47.5 -13.0 39.2 37.6 100 494 A X H X S+ 0 0 32 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.882 112.7 51.7 -61.0 -41.0 -15.7 41.4 39.2 101 495 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.931 111.7 45.7 -58.6 -49.6 -16.4 43.1 35.8 102 496 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.888 114.0 48.1 -65.6 -42.7 -16.8 39.7 34.0 103 497 A V H X S+ 0 0 9 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.916 112.7 50.7 -61.9 -42.6 -19.0 38.3 36.8 104 498 A H H X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.928 113.9 42.1 -62.5 -48.2 -21.1 41.5 36.7 105 499 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.887 113.2 52.3 -71.1 -38.6 -21.6 41.4 32.9 106 500 A S H X S+ 0 0 17 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.902 110.7 49.3 -60.5 -41.9 -22.3 37.6 32.7 107 501 A A H X S+ 0 0 15 -4,-2.3 4,-3.3 1,-0.2 5,-0.4 0.885 107.5 54.6 -62.3 -41.5 -25.0 38.1 35.5 108 502 A A H X>S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-1.4 0.893 106.7 51.3 -62.6 -39.1 -26.5 40.9 33.5 109 503 A C H <5S+ 0 0 2 -4,-1.9 6,-2.5 3,-0.2 4,-0.2 0.916 118.2 37.4 -63.1 -42.0 -26.8 38.7 30.4 110 504 A A H <5S+ 0 0 23 -4,-1.9 -2,-0.2 4,-0.2 -1,-0.2 0.923 128.5 33.0 -73.8 -42.2 -28.6 35.9 32.4 111 505 A E H <5S+ 0 0 111 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.859 130.7 27.2 -87.9 -38.9 -30.6 38.2 34.6 112 506 A E T <5S+ 0 0 94 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.805 132.8 32.5 -99.0 -35.2 -31.4 41.2 32.5 113 507 A L S > - 0 0 34 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.330 39.4-121.9 -52.2 137.3 -28.9 30.9 29.2 117 511 A E T 34 S+ 0 0 161 1,-0.3 3,-0.2 2,-0.2 -7,-0.1 0.839 111.7 55.1 -54.1 -36.0 -26.2 31.2 31.9 118 512 A V T >4 S+ 0 0 105 1,-0.2 3,-0.5 3,-0.1 -1,-0.3 0.631 92.9 73.6 -73.0 -15.6 -23.8 29.2 29.7 119 513 A A T <4 S+ 0 0 1 -3,-1.9 -62,-0.9 1,-0.3 2,-0.8 0.955 105.5 30.2 -67.5 -54.7 -24.2 31.6 26.7 120 514 A X T 3< S- 0 0 2 -4,-0.7 -1,-0.3 -3,-0.2 -10,-0.1 -0.712 92.8-176.9-105.4 78.7 -22.2 34.6 27.9 121 515 A S <> - 0 0 36 -2,-0.8 4,-2.0 -3,-0.5 5,-0.2 -0.303 41.3-114.7 -76.0 159.4 -19.7 32.7 30.1 122 516 A L H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.894 119.6 54.1 -53.6 -43.1 -17.0 34.1 32.4 123 517 A R H > S+ 0 0 190 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 105.6 51.0 -61.3 -41.8 -14.5 32.4 30.0 124 518 A K H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.947 112.0 46.7 -61.4 -48.6 -15.9 34.1 26.9 125 519 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.897 109.9 54.6 -58.7 -43.9 -15.7 37.5 28.4 126 520 A N H X S+ 0 0 62 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.854 102.9 56.4 -61.8 -36.6 -12.2 36.8 29.6 127 521 A V H X S+ 0 0 51 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.942 113.0 41.3 -58.3 -45.7 -11.1 35.9 26.0 128 522 A K H X S+ 0 0 30 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.868 112.1 54.8 -74.0 -35.9 -12.3 39.3 24.9 129 523 A L H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.852 103.9 55.2 -60.6 -40.4 -10.8 41.1 28.0 130 524 A K H X S+ 0 0 135 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.914 106.6 51.2 -60.6 -45.5 -7.4 39.6 27.3 131 525 A D H < S+ 0 0 106 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.944 112.2 47.1 -52.4 -49.9 -7.6 41.1 23.8 132 526 A F H < S+ 0 0 34 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.926 117.6 40.7 -59.8 -47.8 -8.5 44.5 25.5 133 527 A N H < 0 0 62 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.638 360.0 360.0 -78.5 -20.0 -5.6 44.3 28.1 134 528 A F < 0 0 198 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 -0.317 360.0 360.0-120.8 360.0 -3.1 42.9 25.6 135 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 136 536 A D 0 0 221 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.8 -6.3 45.2 11.5 137 537 A X - 0 0 116 1,-0.1 5,-0.0 2,-0.0 0, 0.0 -0.604 360.0-122.4 -79.7 131.0 -7.4 48.6 12.9 138 538 A P > - 0 0 55 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.156 21.0-113.5 -62.9 163.4 -7.1 51.6 10.7 139 539 A P H > S+ 0 0 106 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.857 116.1 53.4 -65.7 -35.8 -5.0 54.7 11.7 140 540 A E H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.833 109.8 47.6 -68.0 -33.8 -8.1 56.9 11.9 141 541 A E H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.806 108.1 55.1 -77.1 -33.2 -9.9 54.5 14.3 142 542 A K H X S+ 0 0 140 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.924 109.6 48.2 -59.1 -44.4 -6.7 54.2 16.4 143 543 A K H X S+ 0 0 122 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.940 110.1 52.4 -60.5 -48.7 -7.0 58.0 16.7 144 544 A R H X S+ 0 0 146 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.874 110.2 46.5 -53.3 -47.7 -10.7 57.8 17.6 145 545 A R H X S+ 0 0 45 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.883 111.5 52.0 -68.8 -37.3 -10.1 55.3 20.4 146 546 A X H X S+ 0 0 91 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.882 111.3 46.8 -63.9 -41.1 -7.2 57.3 21.8 147 547 A E H X S+ 0 0 56 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.906 112.3 50.5 -68.0 -41.2 -9.3 60.5 21.9 148 548 A R H X S+ 0 0 57 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.913 109.4 50.6 -61.1 -45.0 -12.2 58.6 23.5 149 549 A K H X S+ 0 0 67 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.917 108.8 52.3 -61.1 -42.0 -9.9 57.1 26.2 150 550 A Q H X S+ 0 0 81 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.895 108.6 50.2 -58.0 -43.0 -8.6 60.6 27.0 151 551 A R H X S+ 0 0 115 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.857 111.6 48.4 -64.1 -37.8 -12.2 61.9 27.4 152 552 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.918 111.0 50.3 -68.1 -42.4 -13.0 59.0 29.8 153 553 A E H X S+ 0 0 45 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.916 110.5 50.0 -60.7 -43.0 -9.8 59.7 31.8 154 554 A E H <>S+ 0 0 73 -4,-2.2 5,-2.6 2,-0.2 6,-0.6 0.922 108.0 52.8 -63.7 -43.0 -10.7 63.4 32.1 155 555 A A H ><5S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 -130,-0.5 0.900 107.1 53.7 -52.4 -47.0 -14.2 62.5 33.3 156 556 A R H 3<5S+ 0 0 21 -4,-2.3 -134,-0.3 1,-0.3 -1,-0.2 0.876 107.8 49.8 -57.4 -40.1 -12.6 60.3 36.0 157 557 A R T ><5S- 0 0 47 -4,-1.7 3,-1.0 3,-0.3 -1,-0.3 0.065 122.7-103.5 -89.5 21.1 -10.5 63.3 37.1 158 558 A H T < 5S- 0 0 141 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.858 86.3 -42.1 62.7 38.4 -13.5 65.6 37.3 159 559 A G T 3