==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-DEC-02 1OA1 . COMPND 2 MOLECULE: HYDROXYLAMINE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR D.ARAGAO,S.MACEDO,E.P.MITCHELL,C.V.ROMAO,M.Y.LIU,C.FRAZAO, . 553 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.8 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 26 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 1 1 0 2 3 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 RESIDUES PER ALPHA HELIX . 3 0 7 2 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 . 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 1 A M 0 0 30 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 170.5 27.5 28.2 29.9 2 2 A F + 0 0 27 23,-0.1 134,-0.4 15,-0.1 2,-0.3 -0.834 360.0 150.3-152.5 118.3 31.0 27.1 29.4 3 3 A C B +A 15 0A 19 12,-1.5 12,-3.2 -2,-0.3 10,-0.1 -0.988 7.9 158.9-145.2 135.9 33.7 29.1 27.6 4 4 A F + 0 0 11 -2,-0.3 516,-0.3 10,-0.2 517,-0.3 0.118 38.8 116.0-140.5 23.6 37.5 29.1 28.2 5 5 A Q + 0 0 10 515,-0.1 2,-0.3 514,-0.1 66,-0.1 0.552 64.6 61.2 -84.0 -10.0 39.0 30.5 25.1 6 6 A C S > S- 0 0 13 1,-0.1 3,-1.7 488,-0.1 514,-0.3 -0.776 84.9-112.1-118.3 166.6 40.6 33.7 26.4 7 7 A Q T 3 S+ 0 0 1 486,-2.1 487,-0.1 1,-0.3 486,-0.1 0.778 112.7 58.4 -62.1 -29.3 43.3 34.5 28.9 8 8 A E T 3 S+ 0 0 12 485,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.293 73.1 143.7 -87.1 7.4 40.8 36.1 31.3 9 9 A T X - 0 0 7 -3,-1.7 3,-2.1 1,-0.1 -5,-0.1 -0.141 65.3 -83.8 -53.8 143.4 38.7 33.1 31.7 10 10 A A G >> S- 0 0 25 1,-0.3 3,-2.5 2,-0.2 4,-2.5 -0.236 107.7 -9.2 -56.5 130.4 37.3 32.7 35.2 11 11 A K G 34 S- 0 0 198 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.681 113.8 -82.7 58.3 23.1 39.6 31.0 37.7 12 12 A N G <4 S+ 0 0 59 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.858 127.6 81.9 41.8 41.4 41.8 30.2 34.7 13 13 A T T <4 S- 0 0 89 -3,-2.5 2,-0.2 -10,-0.1 -2,-0.2 0.579 100.2 -54.3-134.7 -47.1 39.4 27.3 34.3 14 14 A G < - 0 0 6 -4,-2.5 2,-0.6 -12,-0.0 -10,-0.2 -0.685 39.6-105.5 161.7 143.0 36.2 28.4 32.5 15 15 A C B +A 3 0A 9 -12,-3.2 -12,-1.5 -2,-0.2 4,-0.1 -0.802 39.4 167.2 -85.7 121.4 33.4 30.9 32.6 16 16 A T S S+ 0 0 87 -2,-0.6 -1,-0.1 2,-0.2 3,-0.1 0.566 71.4 20.8-113.3 -16.2 30.3 29.1 33.7 17 17 A V S S- 0 0 110 1,-0.4 8,-0.5 7,-0.0 2,-0.3 0.699 132.2 -8.9-118.7 -59.2 27.7 31.8 34.5 18 18 A K S S- 0 0 130 6,-0.1 -1,-0.4 7,-0.1 -2,-0.2 -0.990 79.9-101.3-144.1 142.1 28.7 35.0 32.7 19 19 A G > - 0 0 8 4,-2.9 3,-1.3 -2,-0.3 -10,-0.1 -0.298 18.6-130.0 -64.4 145.7 31.9 35.7 30.8 20 20 A M T 3 S+ 0 0 115 1,-0.2 -1,-0.1 2,-0.1 -11,-0.1 0.788 115.7 57.1 -60.3 -25.5 34.6 37.7 32.5 21 21 A C T 3 S- 0 0 17 2,-0.1 -1,-0.2 293,-0.0 -2,-0.1 0.605 129.8-100.9 -75.4 -14.8 34.4 39.6 29.2 22 22 A G S < S+ 0 0 21 -3,-1.3 -2,-0.1 1,-0.3 292,-0.0 0.317 70.7 151.3 107.5 -4.2 30.7 40.3 29.8 23 23 A K - 0 0 17 -5,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.462 38.4-138.5 -69.2 116.2 29.4 37.5 27.4 24 24 A P > - 0 0 45 0, 0.0 4,-2.7 0, 0.0 3,-0.4 -0.305 21.9-106.7 -72.1 159.2 26.0 36.3 28.7 25 25 A E H > S+ 0 0 57 -8,-0.5 4,-2.7 1,-0.2 5,-0.2 0.874 118.6 54.4 -47.8 -45.8 25.0 32.7 28.8 26 26 A E H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 112.2 43.3 -63.7 -40.6 22.6 33.1 25.9 27 27 A T H > S+ 0 0 4 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.919 113.2 51.2 -68.1 -47.2 25.3 34.6 23.7 28 28 A A H X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.911 111.9 47.8 -55.9 -46.6 27.9 32.1 24.7 29 29 A N H X S+ 0 0 10 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.899 108.7 52.9 -66.0 -40.5 25.5 29.3 23.9 30 30 A L H X S+ 0 0 9 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.880 106.8 53.7 -62.3 -36.8 24.6 30.7 20.5 31 31 A Q H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.920 108.1 50.8 -63.1 -40.9 28.3 30.9 19.6 32 32 A D H X S+ 0 0 25 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.897 109.4 50.4 -60.4 -40.2 28.6 27.2 20.5 33 33 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.888 107.8 53.2 -68.7 -36.4 25.6 26.4 18.3 34 34 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.936 109.1 48.3 -61.5 -46.4 27.1 28.3 15.4 35 35 A I H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.886 109.4 54.7 -62.0 -37.9 30.4 26.3 15.8 36 36 A F H X S+ 0 0 14 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.931 109.3 46.7 -56.1 -49.2 28.2 23.1 15.8 37 37 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.886 108.9 54.8 -65.2 -38.0 26.6 24.1 12.6 38 38 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.868 104.1 55.0 -62.8 -35.9 30.0 24.9 11.1 39 39 A R H X S+ 0 0 30 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.870 106.7 52.1 -60.6 -38.5 31.1 21.4 12.0 40 40 A G H X S+ 0 0 0 -4,-1.4 4,-1.6 77,-0.3 5,-0.2 0.910 109.2 48.1 -62.8 -47.5 28.1 20.1 10.0 41 41 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.933 111.5 52.5 -54.7 -44.1 29.1 22.2 7.0 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.860 102.1 57.6 -64.8 -40.5 32.6 20.8 7.4 43 43 A I H X S+ 0 0 7 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.952 115.5 36.0 -56.8 -49.6 31.6 17.2 7.4 44 44 A Y H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.886 116.1 53.8 -73.6 -38.2 29.9 17.4 4.1 45 45 A G H X S+ 0 0 1 -4,-2.7 4,-1.7 -5,-0.2 10,-0.3 0.858 109.5 47.7 -63.2 -39.2 32.4 19.8 2.6 46 46 A E H X S+ 0 0 26 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.925 111.2 51.5 -65.2 -45.4 35.3 17.5 3.4 47 47 A K H X S+ 0 0 56 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.888 108.3 51.7 -59.7 -40.3 33.5 14.5 2.0 48 48 A L H <>S+ 0 0 3 -4,-2.4 5,-2.7 2,-0.2 4,-0.3 0.896 109.7 49.2 -65.3 -39.8 32.8 16.4 -1.3 49 49 A K H ><5S+ 0 0 99 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.943 109.9 51.7 -62.6 -44.3 36.5 17.3 -1.6 50 50 A E H 3<5S+ 0 0 126 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.815 107.2 53.4 -63.1 -30.0 37.4 13.6 -1.0 51 51 A L T 3<5S- 0 0 42 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.451 121.2-110.0 -82.4 -4.5 35.0 12.6 -3.8 52 52 A G T < 5S+ 0 0 49 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.627 96.3 98.5 83.1 17.7 36.7 15.1 -6.2 53 53 A Q < - 0 0 105 -5,-2.7 -4,-0.2 -6,-0.2 -3,-0.1 -0.464 56.0-175.3-129.6 60.5 33.9 17.5 -6.3 54 54 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.242 12.6-153.7 -61.5 143.6 34.9 20.3 -3.8 55 55 A D + 0 0 45 -10,-0.3 3,-0.2 1,-0.1 -6,-0.1 -0.996 16.5 176.1-119.6 120.0 32.4 23.0 -3.2 56 56 A R > + 0 0 56 -2,-0.5 3,-1.6 1,-0.1 4,-0.3 0.174 48.2 109.9-107.8 13.1 34.0 26.3 -2.0 57 57 A S T 3 S+ 0 0 65 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.622 78.2 50.6 -67.8 -15.0 30.7 28.3 -1.9 58 58 A N T 3> S+ 0 0 11 -3,-0.2 4,-2.5 1,-0.1 -1,-0.3 0.281 76.2 109.6-104.5 9.8 30.8 28.5 1.9 59 59 A D H <> S+ 0 0 34 -3,-1.6 4,-2.0 1,-0.2 5,-0.2 0.919 83.4 38.5 -56.1 -51.4 34.4 29.7 2.2 60 60 A D H > S+ 0 0 65 -4,-0.3 4,-2.8 1,-0.2 5,-0.3 0.899 113.8 55.9 -69.1 -38.8 33.6 33.2 3.4 61 61 A F H > S+ 0 0 13 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 108.5 48.3 -57.9 -43.6 30.7 32.1 5.6 62 62 A V H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.931 112.6 47.3 -64.5 -46.9 32.9 29.7 7.5 63 63 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.927 115.0 45.9 -59.4 -46.3 35.7 32.4 8.0 64 64 A Q H X S+ 0 0 45 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.861 111.0 53.0 -67.7 -36.4 33.2 35.0 9.2 65 65 A G H X S+ 0 0 1 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.927 112.1 44.0 -65.3 -46.3 31.4 32.5 11.5 66 66 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.933 114.0 51.1 -61.7 -45.7 34.6 31.5 13.2 67 67 A F H >< S+ 0 0 3 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.887 101.4 62.0 -62.3 -39.1 35.7 35.1 13.5 68 68 A A H 3< S+ 0 0 0 -4,-2.4 6,-0.5 1,-0.3 -1,-0.3 0.711 100.3 55.6 -61.4 -19.4 32.4 36.2 15.0 69 69 A T T << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.367 80.5 114.8 -96.8 3.7 33.1 33.9 18.0 70 70 A I S X> S- 0 0 1 -3,-2.0 3,-1.8 -4,-0.2 4,-0.5 -0.414 85.1 -81.4 -65.3 147.6 36.4 35.4 18.8 71 71 A T T 34 S+ 0 0 7 1,-0.3 -1,-0.1 2,-0.1 241,-0.1 -0.222 114.0 4.6 -52.0 133.4 36.5 37.2 22.2 72 72 A N T 34 S+ 0 0 5 240,-0.1 241,-2.8 2,-0.1 240,-0.4 0.711 103.1 108.3 62.2 27.4 35.0 40.7 22.1 73 73 A A T <4 S+ 0 0 1 -3,-1.8 260,-1.1 1,-0.3 2,-0.4 0.897 79.6 11.1 -95.6 -53.1 34.0 40.3 18.4 74 74 A N B < +b 333 0B 3 -6,-0.5 -1,-0.3 -4,-0.5 260,-0.2 -0.988 45.9 167.0-143.0 126.1 30.1 40.0 18.3 75 75 A W + 0 0 29 258,-2.6 2,-0.8 -2,-0.4 260,-0.2 0.260 48.7 108.1-113.0 -0.6 27.6 40.6 21.1 76 76 A D >> - 0 0 36 1,-0.2 4,-1.5 257,-0.1 3,-1.0 -0.760 48.0-166.6 -97.3 103.6 24.4 40.7 19.0 77 77 A D H 3> S+ 0 0 48 -2,-0.8 4,-2.6 1,-0.3 5,-0.2 0.833 88.6 61.3 -60.2 -32.1 22.4 37.5 19.5 78 78 A A H 3> S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.852 102.2 51.9 -59.6 -36.9 20.2 38.4 16.5 79 79 A R H <> S+ 0 0 60 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.907 110.2 48.0 -66.7 -42.6 23.3 38.2 14.3 80 80 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.914 109.7 52.2 -65.0 -41.6 24.1 34.7 15.7 81 81 A E H X S+ 0 0 73 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.931 111.5 47.5 -60.2 -43.1 20.6 33.5 15.1 82 82 A A H X S+ 0 0 58 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.908 112.6 48.7 -63.6 -42.0 20.8 34.7 11.5 83 83 A M H X S+ 0 0 26 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.893 110.8 50.1 -66.2 -40.6 24.2 33.0 11.0 84 84 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.938 112.4 47.0 -63.9 -46.0 23.0 29.7 12.5 85 85 A S H X S+ 0 0 52 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.927 114.5 46.7 -62.3 -43.4 19.9 29.7 10.3 86 86 A E H X S+ 0 0 88 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.893 110.7 54.0 -62.6 -40.2 22.0 30.5 7.2 87 87 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.874 106.1 51.2 -61.5 -40.8 24.5 27.9 8.2 88 88 A L H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.911 111.0 48.4 -65.2 -41.0 21.8 25.2 8.4 89 89 A A H X S+ 0 0 62 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.912 112.7 47.4 -64.9 -42.2 20.6 26.1 4.9 90 90 A R H X S+ 0 0 70 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.895 112.0 51.7 -64.4 -39.2 24.1 26.1 3.5 91 91 A R H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.921 107.7 50.7 -64.3 -44.4 24.7 22.7 5.3 92 92 A D H X S+ 0 0 57 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.878 107.6 53.7 -65.9 -36.3 21.6 21.2 3.8 93 93 A K H X S+ 0 0 147 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.923 111.6 45.5 -59.2 -44.9 22.6 22.3 0.3 94 94 A L H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.876 110.2 54.7 -66.1 -41.2 26.0 20.6 0.8 95 95 A R H X S+ 0 0 79 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.940 109.0 47.5 -54.7 -50.7 24.2 17.5 2.2 96 96 A N H X S+ 0 0 107 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.900 113.1 48.0 -64.0 -37.5 22.1 17.2 -0.9 97 97 A A H X S+ 0 0 39 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.925 112.7 49.5 -65.5 -44.8 25.0 17.6 -3.2 98 98 A F H X S+ 0 0 3 -4,-2.8 4,-3.3 1,-0.2 5,-0.3 0.902 106.7 54.2 -59.8 -47.0 27.0 15.1 -1.3 99 99 A L H X S+ 0 0 46 -4,-2.6 4,-2.1 1,-0.2 11,-0.2 0.904 111.2 46.1 -58.0 -41.3 24.2 12.5 -1.3 100 100 A A H X S+ 0 0 63 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.915 115.3 45.0 -70.3 -41.1 24.0 12.7 -5.1 101 101 A V H X S+ 0 0 29 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.927 112.5 51.8 -68.3 -43.4 27.7 12.5 -5.7 102 102 A Y H X S+ 0 0 30 -4,-3.3 4,-2.1 1,-0.2 6,-0.3 0.926 110.5 48.7 -57.3 -45.1 28.1 9.6 -3.2 103 103 A K H X S+ 0 0 109 -4,-2.1 4,-2.2 -5,-0.3 5,-0.3 0.907 111.4 49.6 -65.8 -39.1 25.4 7.6 -4.9 104 104 A A H < S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.883 117.0 41.1 -64.6 -38.4 26.9 8.2 -8.3 105 105 A K H < S+ 0 0 125 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.755 126.8 30.8 -83.5 -23.8 30.4 7.1 -7.1 106 106 A N H < S- 0 0 75 -4,-2.1 -2,-0.2 2,-0.3 -3,-0.2 0.555 94.2-127.3-113.5 -12.7 29.3 4.2 -5.0 107 107 A G S < S+ 0 0 71 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.1 0.732 82.5 69.2 67.4 24.5 26.2 2.9 -6.7 108 108 A K S S- 0 0 119 -6,-0.3 -2,-0.3 -5,-0.3 -1,-0.2 -0.972 90.6 -85.0-160.4 160.9 24.1 3.0 -3.5 109 109 A D - 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0 0 157 -2,-0.5 2,-0.4 -3,-0.1 3,-0.1 -0.984 26.5-159.9-143.8 151.5 42.8 33.6 -1.0 172 172 A K >> - 0 0 90 -2,-0.3 4,-1.3 1,-0.1 3,-1.2 -0.992 19.4-140.4-134.0 131.4 44.4 30.1 -1.0 173 173 A T H 3> S+ 0 0 76 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.833 100.4 63.4 -57.4 -35.3 42.3 27.0 -1.4 174 174 A E H 3> S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.825 100.6 52.9 -60.3 -34.9 44.4 25.1 1.1 175 175 A I H <> S+ 0 0 3 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.965 112.3 42.2 -65.9 -52.0 43.3 27.5 3.9 176 176 A D H X S+ 0 0 12 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.881 114.3 52.2 -67.4 -34.4 39.6 27.1 3.2 177 177 A E H X S+ 0 0 52 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.922 108.4 51.5 -63.0 -41.7 40.0 23.3 2.8 178 178 A F H X S+ 0 0 4 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.855 99.7 63.6 -68.6 -31.9 41.9 23.2 6.2 179 179 A M H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.933 110.4 39.2 -53.2 -47.0 39.0 25.1 7.9 180 180 A L H X S+ 0 0 11 -4,-1.3 4,-2.8 -3,-0.3 5,-0.3 0.895 113.7 53.6 -74.9 -39.6 36.7 22.1 7.1 181 181 A E H X S+ 0 0 57 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.949 114.0 43.3 -54.7 -49.8 39.3 19.4 7.8 182 182 A A H X S+ 0 0 0 -4,-3.0 4,-0.9 2,-0.2 -2,-0.2 0.946 116.0 46.1 -63.5 -51.1 40.0 20.9 11.2 183 183 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 -5,-0.3 -1,-0.2 0.939 113.9 48.4 -59.6 -45.2 36.3 21.5 12.1 184 184 A A H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.862 101.7 65.3 -65.0 -32.9 35.3 18.0 10.9 185 185 A S H >< S+ 0 0 10 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.795 89.7 66.3 -60.4 -28.4 38.1 16.4 12.8 186 186 A T T << S+ 0 0 6 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.460 97.8 53.2 -78.2 -0.2 36.5 17.5 16.1 187 187 A T T < S+ 0 0 36 -3,-2.0 -1,-0.3 -4,-0.1 2,-0.3 0.350 99.8 84.8-103.1 -0.7 33.5 15.2 15.4 188 188 A K S < S- 0 0 74 -3,-1.6 2,-1.0 -4,-0.2 -3,-0.0 -0.705 82.0-119.4-107.0 153.2 35.9 12.2 14.9 189 189 A D + 0 0 156 -2,-0.3 2,-0.3 0, 0.0 -3,-0.1 -0.792 49.3 168.9 -92.8 96.3 37.5 9.7 17.4 190 190 A L - 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0 0 67 1,-0.1 3,-2.1 2,-0.1 -2,-0.1 -0.255 64.7-136.6 -63.9 136.0 44.7 41.8 34.5 411 411 A K G > S+ 0 0 184 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.724 97.0 77.6 -66.1 -21.5 47.0 43.8 36.8 412 412 A S G > S+ 0 0 50 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.679 75.4 80.2 -56.8 -20.2 49.7 41.1 36.5 413 413 A R G X> + 0 0 0 -3,-2.1 3,-1.5 1,-0.3 4,-0.9 0.577 63.4 88.0 -71.3 -7.5 50.4 42.5 33.1 414 414 A S H <> S+ 0 0 48 -3,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.790 73.9 76.9 -54.7 -25.4 52.4 45.2 34.8 415 415 A Y H <> S+ 0 0 11 -3,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.881 89.9 51.8 -46.0 -46.7 55.1 42.5 34.4 416 416 A Y H <> S+ 0 0 5 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.903 110.0 46.8 -67.4 -40.4 55.4 43.4 30.7 417 417 A T H X S+ 0 0 31 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.927 114.2 48.9 -61.5 -44.2 55.9 47.1 31.4 418 418 A E H X S+ 0 0 80 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.866 108.7 52.0 -69.8 -36.3 58.5 46.3 34.1 419 419 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 3,-0.2 0.951 111.0 48.3 -61.0 -48.7 60.4 43.9 31.8 420 420 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.902 114.9 45.8 -58.2 -40.2 60.6 46.6 29.1 421 421 A E H < S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.762 118.2 41.4 -72.1 -31.9 61.8 49.2 31.7 422 422 A N H < S+ 0 0 102 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.509 82.6 112.8-103.1 -5.6 64.3 46.9 33.4 423 423 A L S < S- 0 0 7 -4,-1.6 4,-0.1 -5,-0.1 123,-0.0 -0.368 82.2 -91.0 -62.6 145.4 65.9 45.1 30.4 424 424 A P > - 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0 0 50 -5,-2.2 -1,-0.2 -6,-0.2 3,-0.1 -0.577 39.8-150.9 -91.1 147.6 73.2 29.2 12.3 479 479 A D S S+ 0 0 160 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.749 84.7 43.0 -80.6 -27.1 71.8 25.7 12.1 480 480 A D S > S- 0 0 66 1,-0.1 3,-2.4 -7,-0.1 4,-0.2 -0.987 70.3-141.1-132.6 124.9 68.9 26.3 14.6 481 481 A I G > S+ 0 0 13 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.798 102.1 64.4 -52.9 -31.0 66.6 29.3 14.8 482 482 A N G 3 S+ 0 0 44 1,-0.2 -1,-0.3 26,-0.2 4,-0.2 0.598 86.4 69.9 -71.6 -10.1 66.8 29.1 18.6 483 483 A D G < S+ 0 0 113 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.481 75.6 107.1 -91.0 0.4 70.5 29.8 18.7 484 484 A L S < S- 0 0 5 -3,-1.3 2,-2.3 -4,-0.2 -11,-0.0 -0.377 90.5-105.0 -63.1 153.4 69.8 33.4 17.6 485 485 A P S S+ 0 0 28 0, 0.0 -85,-2.4 0, 0.0 2,-0.4 -0.409 84.7 117.4 -81.1 62.6 70.3 36.0 20.4 486 486 A V E -j 400 0E 17 -2,-2.3 2,-0.3 -87,-0.2 -85,-0.2 -0.998 44.7-167.6-134.7 134.4 66.5 36.3 20.6 487 487 A S E -j 401 0E 8 -87,-2.4 -85,-3.2 -2,-0.4 2,-0.5 -0.886 14.6-139.7-118.0 155.5 64.2 35.6 23.5 488 488 A Y E +j 402 0E 19 -2,-0.3 25,-2.3 23,-0.3 2,-0.3 -0.971 26.2 164.7-123.0 120.0 60.4 35.4 23.4 489 489 A D E - m 0 513F 0 -87,-3.4 2,-0.3 -2,-0.5 25,-0.2 -0.752 23.6-179.7-135.5 81.8 58.2 36.8 26.2 490 490 A I E - m 0 514F 12 23,-2.3 25,-1.9 -2,-0.3 2,-0.3 -0.690 19.2-152.4 -99.7 133.7 54.8 36.9 24.6 491 491 A A E -lm 405 515F 1 -87,-1.4 -85,-1.8 -2,-0.3 2,-0.3 -0.798 18.5-170.5 -99.4 144.7 51.5 38.1 26.1 492 492 A W + 0 0 3 23,-2.2 25,-0.2 -2,-0.3 3,-0.1 -0.944 26.7 152.2-136.4 155.7 48.2 36.6 24.9 493 493 A Y + 0 0 0 1,-0.4 -486,-2.1 -2,-0.3 -485,-0.2 0.377 65.1 28.1-140.8 -57.8 44.5 37.3 25.4 494 494 A E S >> S- 0 0 9 -488,-0.2 3,-0.9 -487,-0.1 4,-0.8 -0.326 88.6 -85.1-116.6-171.6 42.4 36.2 22.4 495 495 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -338,-0.4 0.716 114.5 65.4 -80.8 -21.5 42.6 33.6 19.7 496 496 A K H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.869 100.5 55.6 -61.3 -35.9 44.7 35.3 17.1 497 497 A A H <> S+ 0 0 7 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.859 104.2 53.1 -63.5 -34.1 47.5 35.1 19.6 498 498 A V H X S+ 0 0 8 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.912 107.3 51.4 -66.6 -41.8 47.0 31.4 19.8 499 499 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -346,-0.2 -2,-0.2 0.923 110.6 48.7 -58.0 -43.8 47.3 31.3 16.0 500 500 A V H X S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.924 110.9 50.8 -62.8 -44.8 50.6 33.3 16.2 501 501 A L H X S+ 0 0 19 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.933 109.3 49.7 -59.0 -45.3 51.9 30.9 18.9 502 502 A L H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.878 109.2 53.2 -63.5 -36.8 51.1 27.8 16.8 503 503 A A H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.930 109.0 48.7 -60.6 -46.0 52.9 29.4 13.9 504 504 A L H <>S+ 0 0 15 -4,-2.3 5,-2.4 2,-0.2 -2,-0.2 0.907 111.7 49.3 -62.4 -41.5 56.0 30.0 16.0 505 505 A L H ><5S+ 0 0 4 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.909 109.0 52.2 -63.5 -40.8 55.9 26.4 17.2 506 506 A F H 3<5S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.879 106.7 54.2 -61.9 -37.6 55.5 25.2 13.6 507 507 A L T 3<5S- 0 0 44 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.438 123.6-108.3 -77.5 -1.1 58.6 27.3 12.8 508 508 A G T < 5 + 0 0 27 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.608 60.5 159.3 91.4 15.8 60.5 25.5 15.6 509 509 A V < - 0 0 2 -5,-2.4 2,-0.3 -28,-0.1 -1,-0.3 -0.568 17.5-173.9 -76.1 125.2 60.7 28.2 18.2 510 510 A K + 0 0 110 -2,-0.4 25,-0.2 1,-0.1 -22,-0.1 -0.820 54.3 38.7-116.5 155.2 61.3 26.7 21.6 511 511 A G + 0 0 16 23,-2.3 -23,-0.3 -2,-0.3 2,-0.2 0.640 69.1 167.0 85.3 14.4 61.5 28.2 25.1 512 512 A I - 0 0 0 22,-0.5 25,-2.8 -3,-0.2 2,-0.5 -0.448 30.4-141.9 -64.1 130.8 58.7 30.8 24.6 513 513 A R E -mn 489 537F 17 -25,-2.3 -23,-2.3 23,-0.2 2,-0.4 -0.849 21.7-168.2 -88.4 128.1 57.4 32.4 27.8 514 514 A L E -m 490 0F 6 23,-2.6 25,-0.5 -2,-0.5 -23,-0.2 -0.974 26.5 -30.4-123.9 129.4 53.7 32.8 27.5 515 515 A G E -m 491 0F 0 -25,-1.9 -23,-2.2 -2,-0.4 -508,-0.1 -0.910 54.3 -87.4-158.7-175.3 51.7 34.9 29.9 516 516 A P S S- 0 0 14 0, 0.0 2,-0.3 0, 0.0 23,-0.1 -0.989 123.4 -9.6 -79.2 -8.9 50.5 36.4 32.1 517 517 A T S S- 0 0 39 -25,-0.2 -25,-0.2 21,-0.1 3,-0.1 -0.878 76.7-105.5-132.9 171.3 48.9 33.0 32.6 518 518 A L - 0 0 61 -2,-0.3 4,-0.0 1,-0.1 -3,-0.0 -0.706 52.1 -82.0 -96.3 147.4 48.8 29.8 30.5 519 519 A P > - 0 0 11 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.173 22.6-141.8 -53.6 139.3 45.6 28.8 28.7 520 520 A A T 3 S+ 0 0 22 -516,-0.3 -515,-0.1 -514,-0.3 -513,-0.0 0.681 98.1 70.3 -67.8 -21.2 42.9 27.0 30.6 521 521 A F T 3 S+ 0 0 3 -517,-0.3 2,-0.7 -372,-0.1 -371,-0.3 0.305 76.5 91.6 -87.9 8.2 42.3 24.9 27.5 522 522 A L < - 0 0 33 -3,-1.2 -379,-0.1 -373,-0.1 -4,-0.0 -0.923 69.6-150.5 -99.2 112.9 45.6 23.0 27.9 523 523 A S > - 0 0 7 -2,-0.7 4,-3.0 -381,-0.2 5,-0.3 -0.393 32.6 -99.7 -71.8 161.4 44.9 19.8 30.0 524 524 A P H > S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.893 124.3 46.4 -49.1 -45.9 47.8 18.6 32.1 525 525 A N H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.861 114.1 47.3 -68.8 -35.4 48.8 15.9 29.6 526 526 A V H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 110.0 52.4 -73.7 -40.1 48.6 18.3 26.6 527 527 A A H X S+ 0 0 33 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.908 107.7 53.9 -57.7 -40.1 50.6 21.0 28.5 528 528 A K H X S+ 0 0 125 -4,-1.9 4,-2.9 -5,-0.3 -2,-0.2 0.898 106.1 51.5 -62.4 -41.4 53.2 18.2 29.1 529 529 A V H X S+ 0 0 37 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.893 111.6 47.4 -58.7 -44.7 53.4 17.5 25.3 530 530 A L H X S+ 0 0 18 -4,-2.0 4,-2.2 2,-0.2 6,-0.7 0.876 114.0 46.4 -69.3 -36.3 53.9 21.2 24.6 531 531 A V H X S+ 0 0 73 -4,-2.5 4,-2.0 4,-0.2 -2,-0.2 0.940 115.6 46.9 -67.4 -44.3 56.6 21.5 27.3 532 532 A E H < S+ 0 0 151 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.906 123.7 31.7 -64.4 -43.6 58.3 18.3 26.1 533 533 A N H < S+ 0 0 75 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.782 138.8 15.6 -83.7 -31.5 58.2 19.2 22.4 534 534 A F H < S- 0 0 21 -4,-2.2 -23,-2.3 -5,-0.3 -22,-0.5 0.430 85.3-127.9-131.5 -4.1 58.6 23.0 22.7 535 535 A N < - 0 0 75 -4,-2.0 -4,-0.2 -5,-0.4 2,-0.1 0.862 38.0-177.6 52.8 42.1 59.8 24.0 26.2 536 536 A I - 0 0 19 -6,-0.7 -23,-0.2 -9,-0.2 -1,-0.2 -0.485 5.6-166.1 -69.7 142.9 56.9 26.5 26.6 537 537 A K B -n 513 0F 44 -25,-2.8 -23,-2.6 -2,-0.1 2,-0.1 -0.943 18.2-126.1-130.6 149.7 57.2 28.3 30.0 538 538 A P - 0 0 78 0, 0.0 -23,-0.2 0, 0.0 2,-0.1 -0.425 44.1 -90.2 -79.3 168.3 55.1 30.5 32.2 539 539 A I - 0 0 38 -25,-0.5 2,-0.1 -23,-0.1 3,-0.1 -0.475 42.0-173.9 -77.3 152.7 56.3 33.9 33.3 540 540 A G - 0 0 39 1,-0.3 2,-0.1 -2,-0.1 -1,-0.1 -0.222 47.2 -39.2-116.1-149.0 58.2 34.3 36.6 541 541 A T > - 0 0 75 -2,-0.1 4,-2.6 1,-0.1 -1,-0.3 -0.421 56.4-114.0 -76.2 162.3 59.3 37.5 38.3 542 542 A V H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.935 116.5 46.7 -59.1 -48.8 60.6 40.4 36.3 543 543 A Q H > S+ 0 0 158 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 114.3 46.1 -62.2 -45.3 64.1 40.0 37.7 544 544 A D H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 113.9 47.7 -67.4 -40.7 64.3 36.2 37.2 545 545 A D H X S+ 0 0 11 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.892 110.5 51.0 -71.6 -37.0 63.0 36.3 33.7 546 546 A I H X S+ 0 0 18 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.948 112.1 47.5 -63.1 -46.8 65.3 39.0 32.6 547 547 A A H X S+ 0 0 62 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.913 113.7 47.1 -59.6 -42.4 68.3 37.2 33.9 548 548 A A H <>S+ 0 0 6 -4,-2.1 5,-3.0 1,-0.2 3,-0.4 0.923 112.3 49.5 -68.3 -42.3 67.2 33.9 32.3 549 549 A M H ><5S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.909 107.4 53.8 -65.5 -38.5 66.5 35.6 29.0 550 550 A M H 3<5S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 107.9 52.5 -68.0 -22.6 69.9 37.3 29.0 551 551 A A T 3<5S- 0 0 68 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.363 122.9-108.5 -86.9 2.7 71.5 33.9 29.5 552 552 A G T < 5 0 0 49 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.713 360.0 360.0 72.6 22.5 69.6 32.5 26.5 553 553 A K < 0 0 135 -5,-3.0 -1,-0.2 -6,-0.2 -5,-0.0 -0.313 360.0 360.0-129.9 360.0 67.3 30.5 28.7