==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-APR-10 2XCO . COMPND 2 MOLECULE: DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.D.BAX,P.F.CHAN,D.S.EGGLESTON,A.FOSBERRY,D.R.GENTRY,F.GORRE . 636 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 42 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 2 2 1 1 2 2 3 3 2 2 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 1 0 1 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 . 8 3 1 2 2 1 1 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 . 1 3 1 1 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 1 413 A S 0 0 86 0, 0.0 67,-0.1 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 74.5 10.9 101.9 6.9 2 414 A L - 0 0 26 62,-0.2 4,-0.4 1,-0.2 6,-0.0 -0.551 360.0-155.6 -64.1 127.2 10.3 101.5 10.6 3 415 A P S S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.996 78.9 27.7 -73.4 -69.1 10.8 97.8 11.2 4 416 A G S S+ 0 0 78 1,-0.2 -2,-0.1 3,-0.1 3,-0.0 0.786 127.5 40.4 -69.8 -31.4 8.9 96.8 14.4 5 417 A K S S+ 0 0 30 1,-0.1 2,-0.4 38,-0.0 -1,-0.2 0.885 110.0 57.2 -86.0 -43.3 6.2 99.4 14.3 6 418 A L S S- 0 0 4 -4,-0.4 2,-0.6 37,-0.2 37,-0.2 -0.735 71.2-139.1 -98.9 138.7 5.3 99.6 10.6 7 419 A A B -A 42 0A 13 35,-3.1 35,-0.8 -2,-0.4 2,-0.1 -0.841 29.2-147.4 -91.7 123.8 4.2 96.7 8.4 8 420 A D - 0 0 76 -2,-0.6 2,-0.3 33,-0.2 32,-0.1 -0.471 2.6-137.6 -94.6 161.4 5.9 97.0 5.0 9 421 A C - 0 0 7 2,-0.2 29,-0.2 -2,-0.1 30,-0.1 -0.767 17.6-125.2-111.7 161.6 4.8 96.0 1.5 10 422 A S S S+ 0 0 83 27,-1.7 28,-0.2 -2,-0.3 29,-0.2 0.963 84.8 86.7 -68.9 -53.2 6.8 94.3 -1.2 11 423 A S - 0 0 17 27,-2.4 -2,-0.2 26,-0.1 28,-0.0 -0.055 54.7-169.3 -48.6 149.4 6.2 97.0 -3.9 12 424 A K + 0 0 150 5,-0.0 -1,-0.1 1,-0.0 27,-0.1 0.337 54.5 100.0-126.1 0.2 8.8 99.8 -3.9 13 425 A S >> - 0 0 44 1,-0.1 3,-2.2 66,-0.0 4,-1.4 -0.830 64.4-146.7 -98.0 108.4 7.2 102.3 -6.4 14 426 A P T 34 S+ 0 0 38 0, 0.0 66,-2.0 0, 0.0 67,-0.3 0.654 94.9 68.1 -42.3 -28.6 5.3 105.1 -4.5 15 427 A E T 34 S+ 0 0 140 1,-0.2 64,-0.0 64,-0.1 63,-0.0 0.907 109.7 33.9 -61.1 -43.4 2.7 105.3 -7.3 16 428 A E T <4 S+ 0 0 101 -3,-2.2 -1,-0.2 64,-0.1 63,-0.1 0.893 103.1 90.6 -76.4 -43.5 1.4 101.8 -6.3 17 429 A C < - 0 0 1 -4,-1.4 64,-1.0 61,-0.2 63,-0.7 -0.119 49.5-175.1 -66.7 151.1 2.0 102.0 -2.5 18 430 A E E -bc 40 81A 10 21,-1.7 23,-1.9 61,-0.2 2,-0.5 -0.984 11.2-150.3-147.2 133.7 -0.6 103.2 0.0 19 431 A I E -bc 41 82A 0 62,-2.5 64,-1.1 -2,-0.3 2,-0.6 -0.907 5.9-152.7-112.5 126.3 -0.2 103.6 3.8 20 432 A F E -bc 42 83A 0 21,-1.7 23,-2.3 -2,-0.5 2,-0.9 -0.844 1.6-156.9 -98.6 122.4 -3.0 103.3 6.3 21 433 A L E +bc 43 84A 1 62,-3.6 64,-1.8 -2,-0.6 2,-0.3 -0.864 28.5 167.1 -94.8 104.6 -2.8 105.2 9.6 22 434 A V E -bc 44 85A 1 -2,-0.9 23,-2.8 21,-0.8 2,-0.5 -0.819 44.0 -99.4-115.8 158.2 -5.1 103.3 12.0 23 435 A E E > -b 45 0A 23 62,-0.7 4,-2.5 -2,-0.3 5,-0.4 -0.675 37.0-128.4 -76.3 122.7 -5.5 103.4 15.7 24 436 A G H > S+ 0 0 22 21,-2.8 4,-2.4 -2,-0.5 5,-0.5 0.840 103.3 27.7 -37.7 -63.2 -3.5 100.6 17.2 25 437 A D H 4 S+ 0 0 159 20,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.924 115.1 65.0 -69.8 -45.5 -6.2 99.0 19.4 26 438 A S H 4 S- 0 0 15 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.916 137.6 -29.6 -39.9 -60.3 -9.0 100.2 17.2 27 439 A A H X S+ 0 0 3 -4,-2.5 4,-1.1 58,-0.1 -1,-0.2 0.018 91.6 128.2-158.7 37.4 -7.9 98.1 14.2 28 440 A G H X S+ 0 0 5 -4,-2.4 4,-1.2 -5,-0.4 -3,-0.1 0.979 83.4 34.9 -60.9 -58.1 -4.2 97.5 14.2 29 441 A G H > S+ 0 0 53 -5,-0.5 4,-1.0 2,-0.2 3,-0.4 0.930 119.8 45.8 -65.6 -52.1 -4.2 93.8 13.9 30 442 A S H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.767 112.4 54.2 -65.1 -26.4 -7.2 93.2 11.7 31 443 A T H X S+ 0 0 0 -4,-1.1 4,-0.8 1,-0.2 -1,-0.2 0.793 107.1 50.4 -74.1 -30.7 -6.0 96.0 9.5 32 444 A K H < S+ 0 0 89 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.690 113.3 48.5 -76.6 -20.2 -2.6 94.2 9.1 33 445 A S H < S+ 0 0 86 -4,-1.0 -2,-0.2 1,-0.1 4,-0.2 0.911 110.8 43.1 -88.8 -47.8 -4.5 91.0 8.2 34 446 A G H < S+ 0 0 12 -4,-2.0 -2,-0.1 -5,-0.1 -3,-0.1 0.663 92.8 106.8 -75.7 -17.1 -6.9 92.2 5.5 35 447 A R S < S- 0 0 58 -4,-0.8 2,-0.9 -5,-0.1 130,-0.1 0.011 78.2-116.2 -59.8 164.9 -4.5 94.4 3.7 36 448 A D >> - 0 0 32 133,-0.2 4,-2.7 1,-0.1 3,-2.5 -0.823 28.5-166.1-101.0 89.2 -2.8 93.6 0.3 37 449 A S T 34 S+ 0 0 59 -2,-0.9 -27,-1.7 1,-0.3 -26,-0.1 0.526 78.6 73.4 -60.2 -5.9 0.8 93.4 1.6 38 450 A R T 34 S- 0 0 163 -29,-0.2 -27,-2.4 -28,-0.2 -1,-0.3 0.800 127.0 -1.0 -76.2 -28.2 2.0 93.6 -2.0 39 451 A T T <4 S+ 0 0 31 -3,-2.5 -21,-1.7 -29,-0.2 2,-0.5 0.344 118.6 86.4-139.5 -2.2 1.1 97.3 -2.2 40 452 A Q E < + b 0 18A 1 -4,-2.7 2,-0.4 -23,-0.2 -21,-0.2 -0.921 47.1 179.5-116.0 118.6 -0.4 98.0 1.3 41 453 A A E - b 0 19A 0 -23,-1.9 -21,-1.7 -2,-0.5 2,-0.4 -0.925 13.8-150.1-115.0 137.7 1.7 99.0 4.3 42 454 A I E -Ab 7 20A 0 -35,-0.8 -35,-3.1 -2,-0.4 -21,-0.2 -0.896 13.3-171.3-116.2 137.3 0.2 99.7 7.7 43 455 A L E - b 0 21A 0 -23,-2.3 -21,-0.8 -2,-0.4 2,-0.4 -0.903 14.4-157.6-122.7 100.2 1.4 102.0 10.5 44 456 A P E - b 0 22A 27 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.659 12.1-141.9 -78.4 126.7 -0.7 101.6 13.7 45 457 A L E - b 0 23A 2 -23,-2.8 -21,-2.8 -2,-0.4 2,-1.8 -0.755 17.8-119.6 -92.9 132.8 -0.5 104.6 16.0 46 458 A R >> - 0 0 174 -2,-0.4 3,-2.3 1,-0.2 4,-0.8 -0.515 27.3-157.1 -71.8 87.5 -0.4 104.1 19.8 47 459 A G H >> S+ 0 0 18 -2,-1.8 3,-1.2 1,-0.3 4,-0.9 0.773 84.9 59.6 -33.8 -52.5 -3.6 105.9 20.6 48 460 A K H >4 S+ 0 0 98 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.836 100.6 56.4 -50.4 -39.3 -2.6 106.6 24.2 49 461 A I H <4 S+ 0 0 74 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.829 102.0 55.1 -65.7 -32.7 0.5 108.6 23.1 50 462 A L H << 0 0 10 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.679 360.0 360.0 -80.9 -19.0 -1.4 111.1 21.0 51 463 A N << 0 0 89 -4,-0.9 3,-0.1 -3,-0.6 -2,-0.1 0.529 360.0 360.0 69.0 360.0 -3.9 112.2 23.7 52 ! 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 53 469 A L 0 0 159 0, 0.0 2,-0.4 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 97.3 -5.6 122.0 21.8 54 470 A D + 0 0 133 -3,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.651 360.0 174.9-126.4 73.6 -2.6 120.3 23.5 55 471 A R + 0 0 99 -2,-0.4 2,-0.3 3,-0.0 3,-0.0 -0.469 11.1 134.8 -84.4 152.6 0.4 121.1 21.2 56 472 A I - 0 0 86 -2,-0.1 3,-0.1 1,-0.0 -2,-0.0 -0.948 56.7 -31.6-171.6-175.7 4.0 120.2 22.1 57 473 A L S S- 0 0 72 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.213 86.0 -77.6 -52.3 145.6 7.2 118.7 20.7 58 474 A N - 0 0 81 1,-0.1 -1,-0.1 4,-0.1 2,-0.1 -0.103 52.1-116.1 -49.1 142.6 6.6 116.1 18.1 59 475 A N > - 0 0 42 -3,-0.1 4,-3.4 1,-0.1 5,-0.2 -0.419 14.4-121.1 -76.6 155.9 5.5 112.7 19.5 60 476 A N H > S+ 0 0 106 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.836 120.5 52.9 -60.3 -32.1 7.6 109.6 19.1 61 477 A E H > S+ 0 0 11 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 112.6 40.5 -66.5 -50.1 4.4 108.4 17.3 62 478 A I H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 110.4 58.4 -67.2 -41.6 4.3 111.3 15.0 63 479 A R H X S+ 0 0 109 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.869 107.9 48.3 -54.4 -38.1 8.0 111.3 14.4 64 480 A Q H X S+ 0 0 58 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.902 105.4 57.7 -68.4 -42.7 7.6 107.7 13.2 65 481 A M H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.904 110.3 45.0 -51.6 -45.3 4.7 108.8 10.9 66 482 A I H X S+ 0 0 38 -4,-2.3 4,-2.0 2,-0.2 3,-0.4 0.968 109.1 53.3 -64.3 -57.6 7.1 111.3 9.3 67 483 A T H < S+ 0 0 87 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.885 110.8 49.0 -43.9 -47.6 10.0 108.9 8.9 68 484 A A H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 106.1 55.4 -67.4 -38.0 7.8 106.4 7.1 69 485 A F H < S- 0 0 3 -4,-1.5 9,-2.8 -3,-0.4 10,-0.4 0.981 91.5-149.8 -57.6 -59.2 6.3 108.9 4.7 70 486 A G S < S+ 0 0 34 -4,-2.0 6,-0.1 7,-0.2 -1,-0.1 0.081 74.0 86.4 112.1 -22.3 9.7 110.0 3.4 71 487 A T 0 0 19 -5,-0.2 5,-0.1 4,-0.1 -4,-0.1 0.943 360.0 360.0 -73.6 -48.6 9.0 113.6 2.5 72 488 A G 0 0 76 -6,-0.3 35,-0.0 2,-0.1 4,-0.0 0.196 360.0 360.0 -57.9 360.0 9.7 115.0 6.0 73 ! 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 74 495 A L 0 0 92 0, 0.0 3,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 142.2 10.1 116.8 -0.6 75 496 A A + 0 0 110 1,-0.2 -4,-0.1 -4,-0.1 0, 0.0 0.316 360.0 99.5 -84.2 9.8 8.8 114.9 -3.6 76 497 A K + 0 0 73 -6,-0.1 -1,-0.2 -5,-0.1 -4,-0.0 0.055 55.1 152.1 -83.2 25.9 10.7 111.9 -2.2 77 498 A A - 0 0 14 -3,-0.3 -7,-0.2 1,-0.1 3,-0.1 -0.161 41.1-150.9 -58.6 150.6 7.5 110.6 -0.7 78 499 A R S S+ 0 0 46 -9,-2.8 2,-0.5 1,-0.2 -61,-0.2 0.798 79.9 37.7 -92.5 -35.0 7.1 106.8 -0.2 79 500 A Y - 0 0 5 -10,-0.4 -1,-0.2 1,-0.1 -61,-0.2 -0.979 56.4-162.9-125.4 124.6 3.3 106.5 -0.5 80 501 A H S S+ 0 0 68 -66,-2.0 2,-0.5 -63,-0.7 -62,-0.2 0.809 85.6 50.4 -70.1 -32.0 1.2 108.4 -2.9 81 502 A K E -c 18 0A 71 -64,-1.0 -62,-2.5 -67,-0.3 2,-0.4 -0.936 63.2-175.4-111.6 131.3 -1.9 107.5 -0.9 82 503 A I E -cd 19 116A 2 33,-2.3 35,-1.5 -2,-0.5 2,-0.3 -0.804 12.0-164.5-126.0 89.7 -2.1 108.0 2.9 83 504 A V E -cd 20 117A 0 -64,-1.1 -62,-3.6 -2,-0.4 2,-0.8 -0.557 8.8-150.4 -79.4 133.4 -5.4 106.6 4.3 84 505 A I E -cd 21 118A 1 33,-1.1 35,-1.5 -2,-0.3 2,-0.7 -0.880 13.3-170.8-102.6 102.1 -6.5 107.6 7.8 85 506 A M E +c 22 0A 0 -64,-1.8 -62,-0.7 -2,-0.8 2,-0.3 -0.850 20.5 151.2 -93.3 117.0 -8.6 104.8 9.3 86 507 A T - 0 0 19 -2,-0.7 6,-0.1 -64,-0.2 7,-0.1 -0.974 44.4 -95.3-141.5 158.2 -10.3 105.9 12.6 87 508 A D - 0 0 19 -2,-0.3 9,-0.2 1,-0.1 68,-0.1 -0.175 23.2-127.7 -68.6 162.6 -13.4 104.9 14.5 88 509 A A S S+ 0 0 73 4,-0.1 5,-0.3 66,-0.1 67,-0.1 0.838 79.5 101.4 -74.4 -34.1 -16.7 106.8 14.3 89 510 A D S > S- 0 0 46 65,-1.1 4,-2.0 3,-0.1 5,-0.3 0.181 95.2 -93.3 -52.1 165.2 -16.8 107.1 18.1 90 511 A V H > S+ 0 0 36 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.934 128.9 49.0 -39.3 -61.6 -15.9 110.2 20.1 91 512 A D H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.861 107.1 57.0 -48.6 -46.3 -12.4 108.9 20.5 92 513 A G H > S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.912 102.1 51.9 -57.5 -49.7 -12.1 108.2 16.8 93 514 A A H X S+ 0 0 45 -4,-2.0 4,-2.2 -3,-0.4 -1,-0.3 0.799 102.2 65.6 -60.2 -28.1 -12.8 111.7 15.7 94 515 A H H >X S+ 0 0 103 -4,-1.3 4,-3.1 -3,-0.5 3,-0.6 0.992 107.3 36.6 -52.2 -67.8 -10.1 112.8 18.1 95 516 A I H 3X S+ 0 0 8 -4,-1.3 4,-2.6 1,-0.3 5,-0.3 0.841 113.9 57.9 -57.2 -38.8 -7.3 111.1 16.2 96 517 A R H 3X S+ 0 0 102 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.893 114.6 37.9 -59.2 -40.9 -8.9 111.9 12.8 97 518 A T H X S+ 0 0 21 -4,-2.1 4,-1.5 -5,-0.4 3,-1.2 0.957 102.1 56.2 -58.3 -55.9 -1.4 118.1 12.0 103 524 A F H 3X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.850 104.2 55.3 -48.5 -41.9 -0.9 117.6 8.3 104 525 A Y H 3< S+ 0 0 57 -4,-1.7 4,-0.4 1,-0.2 -1,-0.3 0.876 108.1 48.9 -57.6 -39.6 -1.8 121.2 7.6 105 526 A R H << S+ 0 0 70 -3,-1.2 -2,-0.2 -4,-1.0 -1,-0.2 0.852 131.3 7.1 -79.4 -38.5 0.8 122.6 10.0 106 527 A F H < S+ 0 0 147 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.325 136.8 36.4-125.0 3.5 4.0 120.9 9.0 107 528 A M >X + 0 0 10 -4,-1.7 3,-0.8 -5,-0.4 4,-0.7 -0.095 62.1 139.2-153.8 44.0 3.0 118.9 5.9 108 529 A R H >> + 0 0 29 -4,-0.4 4,-3.2 1,-0.2 3,-0.5 0.804 63.3 72.2 -66.1 -34.2 0.6 120.9 3.8 109 530 A P H 3> S+ 0 0 75 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.863 95.5 56.4 -50.8 -36.1 2.1 120.0 0.4 110 531 A L H <>>S+ 0 0 8 -3,-0.8 5,-2.8 2,-0.2 4,-0.7 0.908 109.4 43.5 -61.0 -45.3 0.6 116.5 0.9 111 532 A I H X<5S+ 0 0 50 -4,-0.7 3,-0.8 -3,-0.5 -1,-0.2 0.921 115.6 49.5 -64.8 -43.7 -2.9 118.0 1.4 112 533 A E H 3<5S+ 0 0 161 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.840 112.8 48.0 -60.6 -33.6 -2.2 120.3 -1.6 113 534 A A H 3<5S- 0 0 59 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.556 111.1-121.9 -86.7 -8.7 -1.0 117.2 -3.5 114 535 A G T <<5 + 0 0 10 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.884 69.7 134.4 68.7 39.6 -4.1 115.1 -2.6 115 536 A Y < + 0 0 57 -5,-2.8 -33,-2.3 -6,-0.1 2,-0.6 0.613 50.3 75.2 -93.8 -16.8 -1.9 112.4 -1.0 116 537 A V E +d 82 0A 1 -6,-0.5 63,-0.6 -35,-0.2 -33,-0.2 -0.879 59.3 174.1-104.8 122.2 -4.0 112.1 2.2 117 538 A Y E -dE 83 178A 35 -35,-1.5 -33,-1.1 -2,-0.6 2,-0.4 -0.557 23.3-129.1-112.2 179.5 -7.3 110.3 2.1 118 539 A I E -dE 84 177A 7 59,-1.3 59,-0.8 -35,-0.2 -33,-0.2 -0.995 24.2-115.5-137.4 131.2 -9.9 109.2 4.7 119 540 A A - 0 0 13 -35,-1.5 -33,-0.1 -2,-0.4 50,-0.1 -0.248 18.0-161.8 -66.2 147.5 -11.4 105.8 5.1 120 541 A Q - 0 0 72 48,-0.3 55,-0.3 47,-0.1 3,-0.1 -0.704 14.8-178.9-131.7 81.6 -15.1 105.1 4.6 121 542 A P - 0 0 36 0, 0.0 47,-0.1 0, 0.0 43,-0.1 -0.251 43.3 -77.2 -70.5 163.9 -16.2 101.9 6.3 122 543 A P - 0 0 6 0, 0.0 14,-0.2 0, 0.0 3,-0.1 -0.073 38.6-160.8 -50.3 165.6 -19.7 100.6 6.1 123 544 A L + 0 0 33 12,-3.8 30,-2.1 1,-0.3 2,-0.4 0.641 63.6 33.7-122.5 -35.3 -22.2 102.3 8.4 124 545 A Y B -FG 135 152B 13 11,-2.2 11,-2.0 28,-0.3 2,-0.5 -0.963 50.1-164.0-132.5 144.3 -25.1 100.0 8.8 125 546 A K - 0 0 13 26,-1.5 2,-0.8 -2,-0.4 26,-0.3 -0.973 13.6-159.1-125.1 114.4 -25.8 96.3 8.8 126 547 A L - 0 0 33 -2,-0.5 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