==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-FEB-06 2FWE . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBD; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.U.STIRNIMANN,A.ROZHKOVA,U.GRAUSCHOPF,R.A.BOECKMANN, . 122 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 8.2 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 . 1 0.8 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 . 7 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.5 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 0 0 1 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 1 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 . 2 0 0 0 1 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 1 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 1 428 A H 0 0 199 0, 0.0 45,-0.1 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 143.0 11.0 22.3 1.8 2 429 A L - 0 0 26 1,-0.1 2,-1.1 39,-0.1 44,-0.0 -0.341 360.0-117.7 -65.9 155.6 12.3 22.8 5.4 3 430 A N + 0 0 154 2,-0.0 56,-0.4 -2,-0.0 2,-0.2 -0.796 43.6 178.8 -94.9 89.8 11.7 26.3 6.9 4 431 A F - 0 0 37 -2,-1.1 2,-0.5 54,-0.1 56,-0.3 -0.601 27.6-134.0 -85.1 152.6 15.3 27.5 7.4 5 432 A T E -a 60 0A 85 54,-2.2 56,-2.2 -2,-0.2 2,-0.2 -0.966 29.1-129.9-104.5 122.2 16.2 30.9 8.9 6 433 A Q E -a 61 0A 101 -2,-0.5 2,-0.3 54,-0.2 56,-0.2 -0.523 25.7-175.7 -76.5 139.1 19.0 32.4 6.7 7 434 A I - 0 0 10 54,-2.5 56,-0.5 -2,-0.2 3,-0.1 -0.964 10.0-178.0-126.7 148.4 22.1 33.7 8.3 8 435 A K + 0 0 61 -2,-0.3 2,-0.2 1,-0.2 66,-0.2 0.729 60.2 34.5-110.6 -41.1 24.9 35.5 6.5 9 436 A T S > S- 0 0 25 1,-0.1 4,-2.5 65,-0.1 5,-0.2 -0.726 77.8-107.7-120.0 170.2 27.7 36.3 8.9 10 437 A V H > S+ 0 0 33 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 121.6 51.5 -53.2 -46.7 29.4 35.1 12.1 11 438 A D H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.945 109.9 49.7 -58.5 -45.9 27.7 37.9 14.1 12 439 A E H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 110.3 49.4 -61.7 -42.1 24.3 36.8 12.6 13 440 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.942 110.6 50.7 -60.1 -47.1 24.9 33.1 13.5 14 441 A N H X S+ 0 0 69 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.911 110.1 48.7 -60.5 -41.3 25.9 34.0 17.0 15 442 A Q H X S+ 0 0 104 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.869 109.8 52.9 -67.1 -34.0 22.8 36.1 17.5 16 443 A A H X S+ 0 0 17 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.907 108.6 50.3 -66.1 -38.9 20.6 33.3 16.2 17 444 A L H X S+ 0 0 19 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.933 108.1 52.9 -62.8 -44.1 22.2 30.9 18.7 18 445 A V H >< S+ 0 0 87 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.945 112.6 44.2 -54.5 -47.6 21.5 33.3 21.5 19 446 A E H 3< S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 112.1 53.1 -70.1 -23.4 17.9 33.5 20.5 20 447 A A H >< S+ 0 0 10 -4,-1.7 3,-2.6 -5,-0.2 -1,-0.2 0.563 75.8 135.9 -86.4 -9.2 17.7 29.7 20.0 21 448 A K T << + 0 0 125 -4,-0.9 71,-0.2 -3,-0.9 70,-0.1 -0.068 68.0 35.0 -44.9 120.9 19.1 29.1 23.6 22 449 A G T 3 S+ 0 0 25 69,-2.5 -1,-0.3 1,-0.3 69,-0.2 0.212 109.8 69.2 110.3 -17.9 16.9 26.3 25.0 23 450 A K S < S- 0 0 98 -3,-2.6 -1,-0.3 68,-0.2 70,-0.2 -0.947 86.9-106.2-126.0 151.9 16.4 24.4 21.7 24 451 A P - 0 0 7 0, 0.0 34,-2.6 0, 0.0 2,-0.3 -0.394 37.1-144.9 -70.7 157.6 18.8 22.4 19.7 25 452 A V E -bC 58 89A 2 64,-2.5 64,-2.6 32,-0.2 2,-0.4 -0.942 14.2-162.0-128.1 146.0 20.0 23.9 16.4 26 453 A M E -bC 59 88A 0 32,-2.3 34,-3.0 -2,-0.3 2,-0.6 -1.000 8.8-163.6-123.4 125.2 20.9 22.6 12.9 27 454 A L E -bC 60 87A 0 60,-2.6 60,-2.5 -2,-0.4 2,-0.5 -0.953 5.5-162.5-112.5 114.0 23.0 24.8 10.6 28 455 A D E -bC 61 86A 4 32,-3.1 34,-2.4 -2,-0.6 2,-0.5 -0.845 6.8-150.5 -95.0 130.0 23.0 23.8 7.0 29 456 A L E +bC 62 85A 0 56,-2.3 56,-0.8 -2,-0.5 2,-0.3 -0.927 27.8 177.5-102.6 125.4 25.7 25.2 4.7 30 457 A Y E -b 63 0A 17 32,-2.7 34,-2.7 -2,-0.5 2,-0.3 -0.912 22.9-179.1-131.1 149.8 24.5 25.5 1.2 31 458 A A > - 0 0 0 -2,-0.3 3,-1.4 32,-0.2 7,-0.2 -0.976 33.2-128.6-147.9 147.8 25.5 26.6 -2.3 32 459 A D T 3 S+ 0 0 93 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.763 112.2 49.5 -61.0 -29.0 23.5 26.6 -5.6 33 460 A W T 3 S+ 0 0 150 32,-0.0 2,-0.9 -3,-0.0 -1,-0.3 0.431 83.8 105.9 -92.8 -1.0 26.4 24.8 -7.3 34 461 A a <> - 0 0 8 -3,-1.4 4,-2.0 1,-0.2 3,-0.2 -0.696 53.1-165.5 -82.8 105.2 26.8 22.2 -4.6 35 462 A V H > S+ 0 0 104 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.927 87.8 48.3 -59.7 -48.9 25.3 19.0 -6.1 36 463 A A H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.774 107.7 58.5 -65.3 -24.4 25.1 17.0 -2.8 37 464 A a H > S+ 0 0 3 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.944 108.2 44.4 -67.3 -46.0 23.4 20.1 -1.3 38 465 A K H X S+ 0 0 87 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.878 109.6 57.5 -63.0 -36.8 20.7 19.9 -3.9 39 466 A E H X>S+ 0 0 70 -4,-2.3 4,-2.7 2,-0.2 5,-0.6 0.875 101.7 55.1 -63.8 -38.1 20.6 16.1 -3.3 40 467 A F H X>S+ 0 0 1 -4,-2.1 5,-2.7 1,-0.2 4,-1.9 0.946 110.4 46.6 -53.2 -46.7 19.8 16.7 0.4 41 468 A E H <5S+ 0 0 68 -4,-1.8 5,-0.2 3,-0.2 -2,-0.2 0.915 116.4 43.7 -64.8 -41.0 16.9 18.9 -0.7 42 469 A K H <5S+ 0 0 139 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.903 130.8 16.8 -69.0 -47.9 15.6 16.3 -3.2 43 470 A Y H <5S+ 0 0 125 -4,-2.7 64,-0.4 -5,-0.1 -3,-0.2 0.668 132.8 23.2-104.9 -21.4 15.9 13.1 -1.3 44 471 A T T >< S- 0 0 56 -3,-1.6 4,-2.3 1,-0.1 3,-0.9 -0.777 72.2-139.3 -91.2 126.3 11.2 13.3 3.4 48 475 A P H 3> S+ 0 0 76 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.790 102.2 61.6 -47.6 -36.4 8.4 13.6 6.0 49 476 A Q H 3> S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.921 110.4 38.9 -58.1 -46.2 10.4 11.4 8.4 50 477 A V H <> S+ 0 0 0 -3,-0.9 4,-1.7 -6,-0.4 -1,-0.2 0.866 115.1 53.6 -68.4 -44.5 13.2 13.9 8.4 51 478 A Q H < S+ 0 0 68 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.923 112.1 43.4 -59.4 -47.1 10.9 16.9 8.5 52 479 A K H >< S+ 0 0 171 -4,-3.2 3,-1.4 1,-0.2 4,-0.3 0.878 110.7 56.3 -68.5 -34.9 9.0 15.6 11.5 53 480 A A H 3< S+ 0 0 37 -4,-1.7 3,-0.4 -5,-0.3 -1,-0.2 0.822 110.5 45.6 -63.9 -31.3 12.3 14.6 13.2 54 481 A L T >< S+ 0 0 3 -4,-1.7 3,-2.0 1,-0.2 -1,-0.3 0.366 80.9 105.0 -88.8 1.9 13.5 18.2 12.9 55 482 A A T < S+ 0 0 78 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.790 85.0 41.3 -62.9 -26.2 10.3 19.8 14.0 56 483 A D T 3 S+ 0 0 48 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.3 0.167 99.4 90.9-107.0 19.8 11.6 20.8 17.4 57 484 A T S < S- 0 0 6 -3,-2.0 2,-0.4 -34,-0.1 -32,-0.2 -0.919 79.7-122.8-105.4 135.6 15.0 21.8 16.2 58 485 A V E - b 0 25A 35 -34,-2.6 -32,-2.3 -2,-0.4 2,-0.6 -0.690 31.5-146.8 -74.9 125.1 15.8 25.5 15.1 59 486 A L E + b 0 26A 17 -2,-0.4 -54,-2.2 -56,-0.4 2,-0.3 -0.874 19.9 178.7-107.6 122.7 16.9 25.3 11.5 60 487 A L E -ab 5 27A 3 -34,-3.0 -32,-3.1 -2,-0.6 2,-0.4 -0.843 6.3-165.6-115.2 150.7 19.5 27.7 10.2 61 488 A Q E -ab 6 28A 18 -56,-2.2 -54,-2.5 -2,-0.3 2,-0.5 -0.995 11.3-160.5-141.1 138.5 21.0 28.0 6.8 62 489 A A E - b 0 29A 2 -34,-2.4 -32,-2.7 -2,-0.4 2,-0.8 -0.977 12.0-154.5-111.9 126.1 24.0 29.8 5.3 63 490 A N E + b 0 30A 63 -56,-0.5 3,-0.4 -2,-0.5 -32,-0.2 -0.868 19.1 171.6-102.0 100.2 24.0 30.2 1.5 64 491 A V > + 0 0 2 -34,-2.7 3,-0.7 -2,-0.8 -33,-0.2 0.063 33.9 125.1-100.6 26.3 27.7 30.5 0.5 65 492 A T T 3 S+ 0 0 34 -35,-0.3 -1,-0.2 1,-0.2 -34,-0.1 0.842 76.4 46.4 -49.2 -42.6 27.0 30.4 -3.3 66 493 A A T 3 S- 0 0 73 -3,-0.4 -1,-0.2 1,-0.0 -2,-0.1 0.769 91.2-145.6 -76.7 -26.0 28.8 33.7 -3.9 67 494 A N < + 0 0 93 -3,-0.7 -2,-0.1 1,-0.1 -3,-0.1 0.862 40.3 165.6 58.6 39.1 31.9 32.8 -1.7 68 495 A D > - 0 0 57 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.120 55.2 -86.7 -77.6 176.4 32.0 36.5 -0.9 69 496 A A H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.840 129.6 49.7 -55.9 -38.3 34.1 37.9 2.1 70 497 A Q H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 111.0 49.3 -71.9 -41.5 31.3 37.3 4.6 71 498 A D H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.934 112.5 47.7 -54.1 -49.6 30.8 33.7 3.4 72 499 A V H X S+ 0 0 41 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.897 110.8 51.1 -63.2 -38.8 34.5 33.0 3.6 73 500 A A H X S+ 0 0 48 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.934 110.6 49.7 -65.0 -41.9 34.8 34.4 7.0 74 501 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 -66,-0.2 -2,-0.2 0.956 111.6 47.1 -62.7 -52.6 31.9 32.3 8.2 75 502 A L H <>S+ 0 0 28 -4,-2.7 5,-3.1 2,-0.2 4,-0.5 0.904 114.2 48.1 -51.1 -44.9 33.3 29.1 6.8 76 503 A K H ><5S+ 0 0 157 -4,-2.5 3,-1.0 3,-0.2 -1,-0.2 0.923 109.1 52.9 -64.0 -44.9 36.7 29.9 8.3 77 504 A H H 3<5S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.858 115.5 40.5 -61.1 -38.3 35.2 30.7 11.7 78 505 A L T 3<5S- 0 0 13 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.407 109.4-123.5 -88.2 0.3 33.4 27.3 11.7 79 506 A N T < 5 + 0 0 109 -3,-1.0 2,-0.4 -4,-0.5 -3,-0.2 0.927 47.9 171.7 53.5 49.3 36.4 25.5 10.2 80 507 A V < - 0 0 18 -5,-3.1 -1,-0.2 -6,-0.1 3,-0.1 -0.726 19.3-173.6 -89.3 136.9 34.3 24.2 7.3 81 508 A L - 0 0 158 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.605 59.4 -23.8-109.8 -10.9 36.3 22.5 4.6 82 509 A G S S- 0 0 37 -7,-0.1 -1,-0.3 2,-0.0 0, 0.0 -0.980 79.6 -43.5 179.6 174.5 33.8 21.9 1.9 83 510 A L S S+ 0 0 46 -2,-0.3 -47,-0.2 -3,-0.1 2,-0.1 -0.858 98.6 36.7-113.8 150.0 30.1 21.5 1.1 84 511 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 -54,-0.1 0.605 72.1 156.7 -76.9 155.0 27.8 20.1 2.1 85 512 A T E -C 29 0A 5 -56,-0.8 -56,-2.3 -2,-0.1 2,-0.4 -0.965 18.5-169.8-138.0 134.2 28.5 20.5 5.8 86 513 A I E -CD 28 101A 0 15,-2.0 15,-2.1 -2,-0.3 2,-0.3 -1.000 8.7-160.8-124.8 123.7 25.7 20.4 8.4 87 514 A L E -C 27 0A 0 -60,-2.5 -60,-2.6 -2,-0.4 2,-0.4 -0.790 3.5-151.0-106.3 152.6 26.5 21.4 12.0 88 515 A F E -C 26 0A 6 -2,-0.3 8,-1.9 8,-0.3 2,-0.4 -0.974 8.9-172.1-125.6 133.3 24.6 20.6 15.1 89 516 A F E -CE 25 95A 15 -64,-2.6 -64,-2.5 -2,-0.4 6,-0.3 -0.947 21.2-129.7-122.0 139.4 24.4 22.7 18.3 90 517 A D > - 0 0 18 4,-2.8 3,-2.1 -2,-0.4 -67,-0.2 -0.177 41.1 -86.4 -82.0-175.4 22.8 21.5 21.5 91 518 A G T 3 S+ 0 0 15 1,-0.3 -69,-2.5 -69,-0.2 -68,-0.2 0.611 129.3 58.6 -71.7 -1.4 20.2 23.6 23.4 92 519 A Q T 3 S- 0 0 134 2,-0.2 -1,-0.3 -71,-0.2 3,-0.1 0.391 120.2-108.3 -98.6 2.9 23.1 25.3 25.3 93 520 A G S < S+ 0 0 22 -3,-2.1 2,-0.5 1,-0.3 -2,-0.1 0.552 73.6 139.0 88.6 3.1 24.5 26.5 22.0 94 521 A Q - 0 0 124 -5,-0.0 -4,-2.8 2,-0.0 -1,-0.3 -0.721 47.9-135.1 -88.6 130.0 27.5 24.2 22.0 95 522 A E B -E 89 0A 35 -2,-0.5 -6,-0.2 -6,-0.3 -8,-0.0 -0.585 6.3-150.6 -78.3 144.5 28.5 22.6 18.8 96 523 A H > - 0 0 45 -8,-1.9 3,-2.4 -2,-0.2 4,-0.3 -0.910 6.5-163.6-116.8 98.9 29.3 18.9 18.8 97 524 A P G > S+ 0 0 79 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.828 84.5 64.5 -55.5 -35.3 31.8 18.4 15.9 98 525 A Q G 3 S+ 0 0 157 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.784 96.4 61.5 -61.2 -19.7 31.4 14.6 15.8 99 526 A A G < S+ 0 0 13 -3,-2.4 -1,-0.3 -11,-0.2 -13,-0.1 0.584 77.1 122.8 -82.5 -7.5 27.8 15.3 14.7 100 527 A R < - 0 0 58 -3,-2.1 2,-0.5 -4,-0.3 -13,-0.2 -0.252 51.9-151.1 -58.6 136.3 28.9 17.1 11.6 101 528 A V B +D 86 0A 3 -15,-2.1 -15,-2.0 1,-0.1 4,-0.1 -0.932 21.4 169.6-106.0 128.2 27.6 15.7 8.3 102 529 A T + 0 0 102 -2,-0.5 2,-0.3 -17,-0.2 -1,-0.1 0.068 58.9 38.7-129.9 19.5 30.0 16.4 5.4 103 530 A G S S- 0 0 30 -17,-0.1 -17,-0.1 -67,-0.1 2,-0.0 -0.969 99.2 -65.6-153.0 172.0 28.6 14.3 2.6 104 531 A F - 0 0 79 -2,-0.3 2,-0.4 -3,-0.1 -2,-0.1 -0.301 47.4-172.7 -60.1 142.4 25.2 13.3 1.2 105 532 A M - 0 0 40 -69,-0.2 -62,-0.1 -4,-0.1 -4,-0.0 -0.985 18.5-130.5-134.7 131.2 23.0 11.2 3.5 106 533 A D > - 0 0 71 -2,-0.4 4,-3.3 1,-0.1 5,-0.3 -0.107 37.8 -93.7 -72.9 174.3 19.7 9.6 2.5 107 534 A A H > S+ 0 0 9 -64,-0.4 4,-2.5 1,-0.2 5,-0.2 0.904 123.5 47.4 -64.1 -38.7 16.7 10.1 4.7 108 535 A E H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 116.3 44.6 -68.7 -39.7 17.1 6.9 6.7 109 536 A T H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.896 115.9 46.8 -67.1 -44.0 20.7 7.5 7.4 110 537 A F H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.904 110.6 52.9 -65.5 -39.6 20.1 11.2 8.2 111 538 A S H X S+ 0 0 4 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.911 109.1 49.1 -60.9 -42.9 17.2 10.3 10.5 112 539 A A H X S+ 0 0 33 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.889 109.0 53.6 -65.0 -39.3 19.4 7.8 12.3 113 540 A H H < S+ 0 0 38 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.869 107.0 51.0 -62.9 -38.6 22.1 10.5 12.6 114 541 A L H >< S+ 0 0 6 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.923 106.7 55.4 -63.5 -43.5 19.5 12.9 14.1 115 542 A R H 3< S+ 0 0 177 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.782 102.1 57.3 -56.7 -35.0 18.6 10.2 16.6 116 543 A D T 3< S+ 0 0 138 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.286 82.4 113.8 -83.4 5.2 22.2 9.9 17.8 117 544 A R S < S- 0 0 39 -3,-1.6 3,-0.1 1,-0.1 -3,-0.0 -0.361 86.8 -77.4 -67.6 157.8 22.5 13.6 18.8 118 545 A Q - 0 0 92 1,-0.1 -1,-0.1 2,-0.1 -22,-0.0 -0.362 68.7 -87.3 -49.1 133.0 23.0 14.6 22.4 119 546 A P - 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.109 49.2-176.1 -47.0 143.0 19.5 14.3 24.1 120 547 A H + 0 0 46 -3,-0.1 2,-0.3 -30,-0.1 -2,-0.1 0.266 36.2 106.5-134.7 17.1 17.5 17.5 23.7 121 548 A H 0 0 156 1,-0.1 -98,-0.0 -98,-0.1 -30,-0.0 -0.707 360.0 360.0 -96.5 154.2 14.1 17.4 25.5 122 549 A H 0 0 200 -2,-0.3 -1,-0.1 -100,-0.1 0, 0.0 0.485 360.0 360.0 -89.4 360.0 13.4 19.4 28.7