==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-OCT-04 1W9M . COMPND 2 MOLECULE: HYDROXYLAMINE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR D.ARAGAO,S.MACEDO,E.P.MITCHELL,D.COELHO,C.V.ROMAO, . 553 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.2 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 0.2 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 . 29 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 38.0 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 1 1 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 1 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 . 2 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 0.000 360.0 360.0 360.0 172.9 36.3 39.1 29.9 2 2 A F + 0 0 27 23,-0.1 134,-0.4 15,-0.1 2,-0.3 -0.837 360.0 148.5-153.4 118.5 32.8 40.1 29.3 3 3 A C B +A 15 0A 21 12,-1.4 12,-3.2 -2,-0.3 10,-0.1 -0.985 7.2 158.1-145.5 134.0 30.1 38.1 27.6 4 4 A F + 0 0 12 -2,-0.3 516,-0.4 10,-0.2 517,-0.3 0.116 38.3 116.7-138.6 21.0 26.3 38.1 28.2 5 5 A Q + 0 0 11 515,-0.1 2,-0.3 514,-0.1 66,-0.1 0.541 65.3 59.7 -79.9 -7.9 24.8 36.7 25.0 6 6 A C S > S- 0 0 13 488,-0.1 3,-1.7 1,-0.1 514,-0.2 -0.792 86.0-112.0-120.2 166.2 23.2 33.5 26.3 7 7 A Q T 3 S+ 0 0 0 486,-2.6 487,-0.1 -2,-0.3 5,-0.1 0.764 112.2 60.3 -59.6 -32.5 20.6 32.7 28.9 8 8 A E T 3 S+ 0 0 8 485,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.305 72.2 143.1 -86.1 9.4 23.1 31.0 31.2 9 9 A T X - 0 0 6 -3,-1.7 3,-2.3 -5,-0.1 -5,-0.1 -0.124 65.9 -83.7 -54.5 143.2 25.2 34.1 31.7 10 10 A A G >> S- 0 0 27 1,-0.3 3,-2.6 2,-0.2 4,-2.5 -0.239 108.0 -7.9 -58.5 135.6 26.6 34.4 35.2 11 11 A K G 34 S- 0 0 199 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.686 115.3 -81.3 54.8 23.4 24.2 36.0 37.7 12 12 A N G <4 S+ 0 0 60 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.818 128.0 81.1 49.1 34.1 22.0 36.8 34.7 13 13 A T T <4 S- 0 0 91 -3,-2.6 2,-0.2 1,-0.1 -2,-0.2 0.571 99.9 -51.0-132.8 -45.6 24.3 39.7 34.3 14 14 A G < - 0 0 7 -4,-2.5 2,-0.6 -6,-0.1 -10,-0.2 -0.697 40.3-107.7 164.2 142.5 27.5 38.7 32.5 15 15 A C B +A 3 0A 10 -12,-3.2 -12,-1.4 -2,-0.2 4,-0.1 -0.826 40.4 165.7 -87.6 119.9 30.4 36.3 32.5 16 16 A T + 0 0 86 -2,-0.6 -1,-0.1 2,-0.2 3,-0.1 0.557 69.7 20.9-114.2 -16.0 33.5 38.1 33.7 17 17 A V S S- 0 0 111 1,-0.5 8,-0.5 7,-0.0 2,-0.3 0.692 132.0 -10.0-118.9 -54.0 36.1 35.5 34.5 18 18 A K B S-B 24 0B 130 6,-0.2 -1,-0.5 7,-0.1 -2,-0.2 -0.979 81.0-101.3-147.5 138.5 35.3 32.3 32.7 19 19 A G > - 0 0 9 4,-3.2 3,-1.5 -2,-0.3 -10,-0.1 -0.306 17.1-129.8 -67.2 150.1 32.1 31.6 30.9 20 20 A M T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -11,-0.1 0.785 114.7 56.5 -62.1 -25.1 29.4 29.4 32.4 21 21 A C T 3 S- 0 0 19 2,-0.1 -1,-0.3 293,-0.0 -2,-0.1 0.627 129.6 -99.6 -74.9 -16.3 29.5 27.6 29.1 22 22 A G S < S+ 0 0 19 -3,-1.5 -2,-0.1 1,-0.3 292,-0.0 0.303 72.6 148.9 112.5 -10.8 33.2 27.0 29.6 23 23 A K - 0 0 14 -5,-0.1 -4,-3.2 4,-0.1 -1,-0.3 -0.458 37.7-142.7 -68.4 118.1 34.5 29.8 27.3 24 24 A P B > -B 18 0B 42 0, 0.0 4,-2.8 0, 0.0 3,-0.4 -0.328 23.8-100.5 -77.2 164.9 37.8 31.0 28.8 25 25 A E H > S+ 0 0 60 -8,-0.5 4,-2.6 1,-0.2 5,-0.2 0.852 119.9 51.4 -42.9 -51.4 39.0 34.6 28.8 26 26 A E H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 113.1 44.3 -64.7 -40.6 41.3 34.2 25.9 27 27 A T H > S+ 0 0 3 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.908 112.9 51.2 -66.9 -45.2 38.6 32.7 23.6 28 28 A A H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.922 112.1 47.1 -57.7 -45.2 36.0 35.2 24.7 29 29 A N H X S+ 0 0 11 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.913 108.9 53.8 -68.1 -41.0 38.3 38.1 23.9 30 30 A L H X S+ 0 0 9 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.899 106.6 53.0 -59.7 -37.9 39.3 36.7 20.5 31 31 A Q H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.935 107.8 51.4 -62.6 -40.4 35.6 36.5 19.6 32 32 A D H X S+ 0 0 25 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.909 109.0 50.6 -60.7 -41.0 35.3 40.2 20.5 33 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.895 108.3 52.8 -65.0 -36.2 38.3 41.0 18.3 34 34 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.943 108.8 48.6 -64.7 -43.0 36.7 39.1 15.4 35 35 A I H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.914 109.0 54.5 -64.5 -39.2 33.5 41.0 15.7 36 36 A F H X S+ 0 0 14 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.941 109.6 46.7 -55.2 -46.9 35.5 44.3 15.8 37 37 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.918 109.2 54.7 -65.8 -38.0 37.2 43.3 12.5 38 38 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.883 104.7 54.3 -61.1 -36.2 33.8 42.4 11.0 39 39 A R H X S+ 0 0 31 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.897 107.2 51.6 -62.3 -38.3 32.6 45.9 11.9 40 40 A G H X S+ 0 0 0 -4,-1.6 4,-1.6 77,-0.3 5,-0.2 0.915 109.8 48.0 -64.9 -43.6 35.6 47.2 10.0 41 41 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.940 111.8 52.1 -57.8 -44.7 34.6 45.1 6.9 42 42 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.874 102.3 58.0 -61.3 -41.6 31.1 46.4 7.3 43 43 A I H X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.955 115.7 35.0 -56.9 -49.5 32.1 50.1 7.4 44 44 A Y H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.899 116.5 54.1 -74.1 -38.1 33.7 49.8 4.0 45 45 A G H X S+ 0 0 1 -4,-2.9 4,-1.8 -5,-0.2 10,-0.3 0.875 109.9 47.8 -63.7 -34.5 31.3 47.3 2.5 46 46 A E H X S+ 0 0 25 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.935 111.2 51.0 -69.8 -45.0 28.3 49.6 3.4 47 47 A K H X S+ 0 0 58 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.899 108.1 52.2 -60.1 -38.4 30.1 52.6 1.9 48 48 A L H <>S+ 0 0 4 -4,-2.5 5,-2.9 1,-0.2 4,-0.3 0.918 109.8 48.7 -65.2 -41.6 30.8 50.7 -1.4 49 49 A K H ><5S+ 0 0 89 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.937 109.5 53.3 -58.6 -43.8 27.1 49.8 -1.6 50 50 A E H 3<5S+ 0 0 132 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.858 106.0 53.1 -62.7 -32.0 26.2 53.5 -1.0 51 51 A L T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.466 122.7-107.4 -79.4 -2.3 28.5 54.5 -3.8 52 52 A G T < 5S+ 0 0 53 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.683 96.7 99.2 85.6 14.3 26.7 52.1 -6.2 53 53 A Q < - 0 0 105 -5,-2.9 -4,-0.2 -6,-0.2 -3,-0.1 -0.430 55.0-174.5-132.2 65.5 29.6 49.6 -6.3 54 54 A P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.207 12.1-155.0 -66.2 145.2 28.7 46.9 -3.9 55 55 A D + 0 0 42 -10,-0.3 3,-0.2 1,-0.1 -6,-0.1 -0.983 16.5 174.4-121.3 117.2 31.2 44.2 -3.2 56 56 A R > + 0 0 56 -2,-0.5 3,-2.0 1,-0.1 4,-0.3 0.181 47.1 110.7-107.2 14.2 29.6 40.9 -2.0 57 57 A S T 3 S+ 0 0 76 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.658 78.4 50.9 -71.2 -12.5 32.9 38.9 -2.0 58 58 A N T 3> S+ 0 0 10 -3,-0.2 4,-2.6 1,-0.1 -1,-0.3 0.290 76.0 110.0-102.8 8.9 32.9 38.7 1.9 59 59 A D H <> S+ 0 0 19 -3,-2.0 4,-2.2 1,-0.2 5,-0.2 0.931 83.7 38.0 -53.8 -50.0 29.3 37.5 2.3 60 60 A D H > S+ 0 0 55 -4,-0.3 4,-2.9 1,-0.2 5,-0.3 0.908 113.8 55.4 -71.5 -37.7 30.1 34.0 3.4 61 61 A F H > S+ 0 0 14 -4,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 109.2 49.0 -57.8 -42.9 33.1 35.0 5.5 62 62 A V H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.937 112.4 46.4 -63.4 -46.0 30.8 37.4 7.4 63 63 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.932 115.8 45.6 -59.4 -46.0 28.2 34.8 8.0 64 64 A Q H X S+ 0 0 44 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.879 110.7 53.2 -67.4 -36.8 30.7 32.3 9.2 65 65 A G H X S+ 0 0 0 -4,-2.5 4,-0.6 -5,-0.3 -1,-0.2 0.926 112.3 44.3 -65.0 -44.6 32.6 34.8 11.4 66 66 A L H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.2 0.949 113.3 51.0 -62.9 -47.1 29.4 35.7 13.2 67 67 A F H >< S+ 0 0 4 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.884 101.7 61.9 -57.7 -39.1 28.2 32.1 13.5 68 68 A A H 3< S+ 0 0 0 -4,-2.3 6,-0.5 1,-0.3 -1,-0.3 0.710 100.5 54.8 -64.1 -18.1 31.6 31.1 15.0 69 69 A T T << S+ 0 0 0 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.360 83.0 113.5 -97.6 4.7 31.0 33.4 17.9 70 70 A I S X> S- 0 0 2 -3,-2.0 3,-2.0 -4,-0.2 4,-0.5 -0.394 85.5 -77.4 -69.2 150.0 27.6 31.8 18.8 71 71 A T T 34 S+ 0 0 7 1,-0.3 -1,-0.1 2,-0.1 423,-0.1 -0.234 114.3 0.8 -51.9 131.0 27.4 30.0 22.1 72 72 A N T 34 S+ 0 0 6 240,-0.1 241,-2.9 2,-0.1 240,-0.4 0.683 103.1 110.0 63.5 24.5 29.0 26.6 22.1 73 73 A A T <4 S+ 0 0 0 -3,-2.0 260,-1.1 1,-0.3 2,-0.4 0.895 79.4 9.2 -92.2 -51.9 30.0 26.9 18.4 74 74 A N B < +c 333 0C 3 -4,-0.5 -1,-0.3 -6,-0.5 260,-0.2 -0.983 45.2 169.3-146.9 127.3 33.9 27.2 18.3 75 75 A W + 0 0 28 258,-2.7 2,-0.9 -2,-0.4 260,-0.2 0.234 48.7 110.2-114.7 4.0 36.4 26.8 21.0 76 76 A D >> - 0 0 39 1,-0.2 4,-1.7 257,-0.2 3,-0.9 -0.769 47.2-166.7 -97.6 102.2 39.6 26.8 18.9 77 77 A D H 3> S+ 0 0 50 -2,-0.9 4,-2.8 1,-0.3 5,-0.2 0.844 89.3 59.4 -57.1 -32.3 41.6 29.9 19.5 78 78 A A H 3> S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.877 102.8 53.3 -66.4 -33.4 43.7 29.2 16.4 79 79 A R H <> S+ 0 0 59 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.917 109.5 48.0 -64.0 -42.3 40.5 29.3 14.3 80 80 A F H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.929 110.8 50.6 -67.0 -41.4 39.7 32.7 15.7 81 81 A E H X S+ 0 0 74 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.923 111.4 49.0 -59.8 -42.4 43.2 34.0 15.1 82 82 A A H X S+ 0 0 57 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.923 112.4 47.8 -62.1 -42.7 43.0 32.7 11.5 83 83 A M H X S+ 0 0 25 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.887 111.6 49.9 -66.9 -36.2 39.6 34.4 11.0 84 84 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.953 112.6 46.8 -64.3 -47.6 40.9 37.7 12.5 85 85 A S H X S+ 0 0 55 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.942 115.9 44.7 -60.6 -44.7 44.0 37.7 10.2 86 86 A E H X S+ 0 0 85 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.904 111.3 54.8 -67.9 -38.7 41.9 36.9 7.1 87 87 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.892 106.0 51.3 -60.2 -42.0 39.3 39.5 8.2 88 88 A L H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.915 111.4 48.3 -61.0 -41.8 41.9 42.2 8.3 89 89 A A H X S+ 0 0 58 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.923 113.0 46.6 -65.9 -41.5 43.1 41.3 4.8 90 90 A R H X S+ 0 0 68 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.926 112.2 52.4 -64.9 -40.3 39.5 41.3 3.5 91 91 A R H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.924 108.0 49.3 -60.4 -45.6 38.9 44.6 5.2 92 92 A D H X S+ 0 0 55 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.876 107.7 55.1 -66.8 -31.5 41.9 46.2 3.7 93 93 A K H X S+ 0 0 137 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.935 111.0 45.4 -61.9 -46.4 40.9 45.0 0.2 94 94 A L H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.904 111.2 53.7 -63.1 -41.4 37.6 46.7 0.7 95 95 A R H X S+ 0 0 75 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.942 109.3 47.0 -57.4 -48.2 39.3 49.8 2.0 96 96 A N H X S+ 0 0 107 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.907 113.5 48.5 -64.9 -36.4 41.5 50.1 -1.0 97 97 A A H X S+ 0 0 40 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.935 113.3 48.2 -65.4 -43.5 38.6 49.6 -3.4 98 98 A F H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.929 107.8 53.9 -61.4 -46.5 36.6 52.2 -1.5 99 99 A L H X S+ 0 0 46 -4,-3.3 4,-2.4 1,-0.2 11,-0.2 0.911 111.6 46.2 -56.7 -42.1 39.4 54.8 -1.5 100 100 A A H X S+ 0 0 63 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.922 115.0 44.7 -69.7 -41.5 39.7 54.5 -5.3 101 101 A V H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.924 113.5 51.3 -68.1 -43.0 35.9 54.7 -6.0 102 102 A Y H X S+ 0 0 25 -4,-3.0 4,-2.0 -5,-0.2 6,-0.3 0.937 109.9 49.6 -56.8 -50.0 35.5 57.6 -3.5 103 103 A K H X S+ 0 0 102 -4,-2.4 4,-2.2 -5,-0.3 5,-0.3 0.913 111.5 48.7 -61.0 -39.0 38.4 59.5 -5.1 104 104 A A H < S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.901 116.6 42.2 -65.6 -38.2 36.8 59.0 -8.6 105 105 A K H < S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.732 126.6 30.4 -80.6 -24.5 33.4 60.1 -7.5 106 106 A N H < S- 0 0 76 -4,-2.0 -2,-0.2 2,-0.3 -3,-0.2 0.571 94.1-127.5-114.7 -12.4 34.4 63.1 -5.3 107 107 A G S < S+ 0 0 71 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.1 0.730 82.6 70.0 73.0 20.6 37.6 64.4 -7.0 108 108 A K S S- 0 0 111 -6,-0.3 -2,-0.3 -5,-0.3 -1,-0.2 -0.972 90.4 -86.5-161.4 157.4 39.6 64.2 -3.7 109 109 A D - 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0 0 105 -2,-0.5 2,-0.4 -3,-0.1 3,-0.1 -0.985 27.0-159.3-145.4 150.3 20.9 33.5 -0.8 172 172 A K >> - 0 0 89 -2,-0.3 3,-1.4 1,-0.1 4,-1.3 -0.993 20.3-138.5-133.9 131.3 19.2 37.0 -0.9 173 173 A T H 3> S+ 0 0 58 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.813 101.2 63.2 -57.5 -33.3 21.2 40.2 -1.3 174 174 A E H 3> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.840 101.0 52.5 -64.0 -31.2 19.2 42.0 1.3 175 175 A I H <> S+ 0 0 3 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.960 113.0 41.2 -67.6 -51.4 20.4 39.5 4.0 176 176 A D H X S+ 0 0 5 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.892 114.7 52.8 -67.7 -37.7 24.1 40.0 3.3 177 177 A E H X S+ 0 0 48 -4,-2.7 4,-2.4 -5,-0.2 3,-0.4 0.936 107.8 51.8 -59.8 -43.5 23.6 43.7 2.9 178 178 A F H X S+ 0 0 4 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.837 99.2 63.9 -65.2 -32.2 21.9 43.9 6.2 179 179 A M H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.941 110.5 39.0 -54.5 -43.2 24.7 42.1 7.9 180 180 A L H X S+ 0 0 11 -4,-1.3 4,-2.7 -3,-0.4 5,-0.3 0.884 113.8 53.2 -78.2 -38.2 27.0 45.0 7.1 181 181 A E H X S+ 0 0 59 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.959 114.5 43.0 -56.8 -46.4 24.4 47.7 7.8 182 182 A A H X S+ 0 0 0 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.957 115.6 47.1 -68.4 -46.3 23.8 46.3 11.2 183 183 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 -5,-0.3 -1,-0.2 0.958 114.4 47.1 -59.4 -47.3 27.5 45.7 12.0 184 184 A A H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.867 102.1 65.1 -64.7 -33.8 28.5 49.2 10.8 185 185 A S H >< S+ 0 0 10 -4,-2.0 3,-1.9 -5,-0.3 -1,-0.3 0.824 90.5 66.0 -58.8 -28.3 25.6 50.8 12.8 186 186 A T T << S+ 0 0 6 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.468 98.6 52.3 -78.0 2.1 27.3 49.7 16.0 187 187 A T T < S+ 0 0 34 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.3 0.295 100.1 82.9-108.2 2.8 30.2 52.0 15.4 188 188 A K S < S- 0 0 78 -3,-1.9 2,-0.9 -4,-0.2 -3,-0.0 -0.769 82.6-118.0-112.9 154.1 27.8 55.0 14.8 189 189 A D + 0 0 157 -2,-0.3 2,-0.3 -3,-0.0 -3,-0.1 -0.803 48.7 171.8 -92.9 103.2 26.2 57.4 17.2 190 190 A L - 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0 0 64 1,-0.1 3,-1.8 2,-0.1 -2,-0.2 -0.285 67.7-126.2 -66.3 146.9 19.7 25.2 34.6 411 411 A K G > S+ 0 0 184 1,-0.3 3,-2.2 2,-0.2 4,-0.1 0.799 104.1 72.3 -60.5 -29.8 17.5 23.5 37.1 412 412 A S G > S+ 0 0 54 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.677 77.6 80.3 -59.5 -17.4 14.7 26.1 36.6 413 413 A R G X> + 0 0 0 -3,-1.8 3,-1.6 1,-0.3 4,-0.8 0.657 66.7 84.6 -67.2 -12.5 14.1 24.6 33.2 414 414 A S H <> S+ 0 0 46 -3,-2.2 4,-2.6 1,-0.3 -1,-0.3 0.775 73.6 78.6 -60.1 -22.9 12.0 21.8 34.9 415 415 A Y H <> S+ 0 0 12 -3,-2.1 4,-2.8 1,-0.2 -1,-0.3 0.873 89.4 51.6 -42.9 -49.0 9.3 24.5 34.6 416 416 A Y H <> S+ 0 0 2 -3,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.903 110.2 47.1 -67.1 -39.4 8.8 23.5 30.9 417 417 A T H X S+ 0 0 30 -4,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.937 113.8 48.9 -59.4 -47.3 8.4 19.8 31.7 418 418 A E H X S+ 0 0 80 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.856 109.8 51.1 -65.0 -38.4 6.0 20.7 34.5 419 419 A V H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.2 3,-0.3 0.964 111.8 47.9 -63.3 -45.3 4.0 23.0 32.2 420 420 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 3,-0.2 0.907 115.1 44.9 -60.2 -43.6 3.8 20.2 29.6 421 421 A E H < S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.772 118.5 42.2 -67.8 -31.1 2.7 17.6 32.2 422 422 A N H < S+ 0 0 100 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.500 82.9 113.3-103.8 -7.3 0.1 19.9 33.9 423 423 A L S < S- 0 0 2 -4,-1.7 4,-0.1 -3,-0.2 123,-0.0 -0.333 83.5 -90.8 -59.5 147.9 -1.5 21.5 30.9 424 424 A P > - 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0 0 52 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.637 39.8-151.9 -91.6 143.6 -9.4 37.3 12.7 479 479 A D S S+ 0 0 160 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.734 85.8 45.3 -81.4 -21.2 -8.0 40.8 12.4 480 480 A D > - 0 0 64 1,-0.1 3,-2.3 -7,-0.1 4,-0.2 -0.983 69.4-145.5-130.8 124.3 -5.2 40.2 14.9 481 481 A I G > S+ 0 0 14 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.791 98.8 66.5 -53.7 -29.3 -3.0 37.1 15.1 482 482 A N G 3 S+ 0 0 43 1,-0.3 -1,-0.3 26,-0.2 4,-0.2 0.673 85.8 70.0 -73.0 -13.7 -3.0 37.4 18.9 483 483 A D G < S+ 0 0 115 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.509 74.7 106.0 -84.1 -0.5 -6.7 36.6 19.1 484 484 A L S < S- 0 0 5 -3,-1.5 2,-2.2 -4,-0.2 -11,-0.0 -0.370 91.3-103.7 -63.7 156.3 -6.1 33.0 18.1 485 485 A P S S+ 0 0 33 0, 0.0 -85,-2.5 0, 0.0 2,-0.4 -0.451 85.5 118.7 -82.0 66.3 -6.4 30.4 20.9 486 486 A V E -k 400 0F 15 -2,-2.2 2,-0.3 -4,-0.2 -85,-0.2 -0.997 45.1-167.1-133.3 133.5 -2.6 30.2 21.0 487 487 A S E -k 401 0F 9 -87,-2.4 -85,-3.3 -2,-0.4 2,-0.5 -0.891 14.5-140.2-116.3 153.7 -0.3 31.0 23.9 488 488 A Y E +k 402 0F 20 -2,-0.3 25,-2.3 23,-0.3 2,-0.3 -0.974 26.5 165.3-121.4 116.1 3.5 31.4 23.6 489 489 A D E - n 0 513G 0 -87,-3.4 2,-0.4 -2,-0.5 25,-0.2 -0.748 23.9-177.5-131.7 79.2 5.8 30.0 26.4 490 490 A I E - n 0 514G 10 23,-2.4 25,-2.0 -2,-0.3 2,-0.4 -0.663 19.4-152.3 -94.2 132.7 9.2 30.1 24.7 491 491 A A E -mn 405 515G 1 -87,-1.3 -85,-1.8 -2,-0.4 2,-0.3 -0.813 18.3-169.3 -95.1 139.1 12.4 28.9 26.2 492 492 A W + 0 0 4 23,-2.3 25,-0.2 -2,-0.4 3,-0.1 -0.907 23.5 158.5-126.2 159.3 15.6 30.5 24.9 493 493 A Y + 0 0 1 1,-0.4 -486,-2.6 -2,-0.3 -485,-0.2 0.393 62.7 8.9-138.5 -63.8 19.3 29.8 25.2 494 494 A E S > S- 0 0 4 -488,-0.2 4,-1.2 -487,-0.1 -1,-0.4 -0.204 89.6 -70.5-119.2-154.5 21.5 31.3 22.5 495 495 A Q H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -338,-0.4 0.780 119.4 59.9 -81.0 -28.3 21.4 33.8 19.6 496 496 A K H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 105.8 51.8 -59.5 -44.8 19.3 31.8 17.1 497 497 A A H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.899 107.4 52.6 -58.9 -38.6 16.5 31.8 19.7 498 498 A V H X S+ 0 0 6 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.932 107.7 50.9 -63.8 -42.2 16.9 35.5 20.0 499 499 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -346,-0.2 -2,-0.2 0.918 109.6 50.9 -58.1 -42.6 16.5 35.8 16.2 500 500 A V H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.932 109.6 50.4 -61.3 -45.5 13.4 33.7 16.4 501 501 A L H X S+ 0 0 19 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.939 109.6 49.9 -58.1 -47.5 12.0 36.0 19.1 502 502 A L H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.878 108.5 53.4 -62.6 -34.8 12.7 39.1 17.0 503 503 A A H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.933 109.4 48.6 -59.6 -46.8 10.9 37.4 14.0 504 504 A L H <>S+ 0 0 16 -4,-2.5 5,-2.5 2,-0.2 4,-0.2 0.904 111.5 49.4 -62.2 -40.3 7.8 36.8 16.2 505 505 A L H ><5S+ 0 0 3 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.921 109.5 51.7 -65.5 -38.2 7.9 40.5 17.4 506 506 A F H 3<5S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.887 107.1 54.3 -62.1 -37.3 8.2 41.7 13.8 507 507 A L T 3<5S- 0 0 48 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.448 122.7-110.2 -78.3 -1.5 5.1 39.5 13.1 508 508 A G T < 5 + 0 0 28 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.624 59.1 159.8 88.2 17.3 3.3 41.3 15.8 509 509 A V < - 0 0 3 -5,-2.5 2,-0.3 -28,-0.1 -1,-0.3 -0.620 18.1-173.9 -75.8 123.0 3.0 38.5 18.4 510 510 A K + 0 0 113 -2,-0.4 25,-0.2 1,-0.1 -22,-0.1 -0.800 54.2 38.5-115.3 157.6 2.4 40.0 21.8 511 511 A G S S+ 0 0 15 23,-2.5 -23,-0.3 -2,-0.3 24,-0.2 0.638 71.2 167.0 84.8 11.1 2.2 38.6 25.3 512 512 A I - 0 0 0 22,-0.5 25,-2.8 -3,-0.2 2,-0.5 -0.434 30.7-141.6 -64.7 133.9 5.1 36.1 24.8 513 513 A R E -no 489 537G 17 -25,-2.3 -23,-2.4 23,-0.2 2,-0.4 -0.870 21.6-168.9 -90.2 126.7 6.5 34.4 28.0 514 514 A L E -no 490 538G 4 23,-2.6 25,-0.5 -2,-0.5 -23,-0.2 -0.983 27.2 -19.8-122.6 127.8 10.3 34.2 27.6 515 515 A G E -n 491 0G 0 -25,-2.0 -23,-2.3 -2,-0.4 -508,-0.1 -0.887 53.0 -98.2-160.3-172.7 12.4 32.1 30.0 516 516 A P S S- 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.992 122.8 -8.9 -80.3 -4.7 13.5 30.6 32.1 517 517 A T S S- 0 0 40 -25,-0.2 -25,-0.2 21,-0.1 3,-0.1 -0.899 78.0-105.8-135.7 168.0 15.1 34.0 32.7 518 518 A L - 0 0 61 -2,-0.3 -3,-0.1 1,-0.1 4,-0.0 -0.667 49.9 -81.5 -91.6 153.4 15.1 37.2 30.7 519 519 A P > - 0 0 11 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.168 23.4-143.7 -52.6 139.0 18.2 38.4 28.7 520 520 A A T 3 S+ 0 0 24 -516,-0.4 -515,-0.1 -514,-0.2 -513,-0.0 0.685 96.5 71.3 -70.7 -19.7 21.0 40.2 30.6 521 521 A F T 3 S+ 0 0 2 -517,-0.3 2,-0.7 -372,-0.1 -371,-0.3 0.211 74.8 93.1 -90.1 14.3 21.5 42.4 27.5 522 522 A L < - 0 0 35 -3,-1.0 -379,-0.1 -373,-0.1 -380,-0.0 -0.931 68.4-149.5-100.7 110.6 18.2 44.3 28.0 523 523 A S > - 0 0 11 -2,-0.7 4,-3.1 -381,-0.2 5,-0.3 -0.253 33.2 -98.6 -64.4 164.2 18.8 47.5 29.9 524 524 A P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.938 125.4 45.6 -50.4 -43.8 15.9 48.7 32.1 525 525 A N H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.889 113.6 47.6 -72.1 -34.8 14.8 51.2 29.5 526 526 A V H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.920 109.7 54.1 -71.2 -41.1 15.0 48.7 26.6 527 527 A A H X S+ 0 0 34 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.904 108.1 51.4 -54.3 -45.6 13.1 46.1 28.7 528 528 A K H X S+ 0 0 120 -4,-2.1 4,-3.2 -5,-0.3 5,-0.2 0.890 106.6 52.7 -62.6 -40.5 10.4 48.8 29.2 529 529 A V H X S+ 0 0 43 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.930 111.2 46.5 -58.3 -44.2 10.2 49.4 25.4 530 530 A L H X S+ 0 0 21 -4,-2.1 4,-2.2 2,-0.2 6,-0.9 0.851 113.6 49.3 -71.4 -32.3 9.7 45.7 24.7 531 531 A V H X S+ 0 0 75 -4,-2.2 4,-2.2 4,-0.2 -2,-0.2 0.962 115.1 43.5 -66.5 -50.1 7.1 45.5 27.5 532 532 A E H < S+ 0 0 142 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.889 123.9 35.2 -65.3 -37.4 5.2 48.5 26.2 533 533 A N H < S+ 0 0 88 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.826 138.4 12.8 -86.3 -30.1 5.3 47.5 22.6 534 534 A F H < S- 0 0 25 -4,-2.2 -23,-2.5 -5,-0.3 -22,-0.5 0.441 85.1-127.9-131.8 -1.6 5.1 43.7 22.9 535 535 A N < - 0 0 65 -4,-2.2 -4,-0.2 -5,-0.4 2,-0.1 0.855 37.9-176.2 53.2 41.8 4.0 42.8 26.4 536 536 A I - 0 0 20 -6,-0.9 -23,-0.2 -9,-0.2 -1,-0.2 -0.487 5.8-163.9 -67.0 143.4 6.9 40.4 26.8 537 537 A K E -o 513 0G 40 -25,-2.8 -23,-2.6 -2,-0.1 2,-0.1 -0.938 18.3-127.0-130.3 147.9 6.7 38.5 30.1 538 538 A P E -o 514 0G 78 0, 0.0 -23,-0.2 0, 0.0 2,-0.1 -0.475 44.4 -93.0 -78.4 165.2 8.9 36.4 32.4 539 539 A I - 0 0 37 -25,-0.5 2,-0.1 -2,-0.1 3,-0.1 -0.426 41.9-172.3 -75.3 159.6 7.8 33.0 33.5 540 540 A G - 0 0 39 1,-0.3 -1,-0.1 -2,-0.1 2,-0.1 -0.310 47.0 -37.2-123.1-155.1 5.9 32.7 36.8 541 541 A T > - 0 0 74 -2,-0.1 4,-3.1 1,-0.1 -1,-0.3 -0.379 57.6-115.5 -69.5 158.0 4.9 29.5 38.6 542 542 A V H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.943 116.6 46.4 -57.4 -48.0 3.6 26.6 36.6 543 543 A Q H > S+ 0 0 156 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 114.4 47.1 -67.7 -41.8 0.2 26.8 38.0 544 544 A D H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.945 114.0 46.3 -64.6 -43.5 -0.0 30.6 37.6 545 545 A D H X S+ 0 0 9 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.907 111.7 50.7 -68.5 -38.0 1.2 30.5 34.0 546 546 A I H X S+ 0 0 19 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.957 111.8 48.2 -61.4 -47.4 -1.1 27.7 33.0 547 547 A A H X S+ 0 0 63 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.916 114.0 46.4 -63.4 -39.4 -4.1 29.4 34.4 548 548 A A H <>S+ 0 0 24 -4,-2.6 5,-3.1 -5,-0.2 3,-0.4 0.939 112.6 49.1 -66.1 -45.1 -3.2 32.7 32.7 549 549 A M H ><5S+ 0 0 0 -4,-2.9 3,-2.3 1,-0.2 -2,-0.2 0.911 106.9 55.4 -60.6 -40.7 -2.5 31.1 29.3 550 550 A M H 3<5S+ 0 0 43 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.785 108.0 50.6 -63.0 -25.6 -5.8 29.2 29.5 551 551 A A T 3<5S- 0 0 76 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.384 123.8-108.2 -87.7 3.5 -7.5 32.6 29.9 552 552 A G T < 5 0 0 30 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.709 360.0 360.0 77.3 20.4 -5.6 33.9 26.9 553 553 A K < 0 0 138 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.0 -0.320 360.0 360.0-127.2 360.0 -3.3 36.1 29.2