==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-MAY-00 1E1D . COMPND 2 MOLECULE: HYDROXYLAMINE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR A.F.ARENDSEN,S.J.COOPER,S.BAILEY,C.D.GARNER,W.R.HAGEN, . 553 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 69.3 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 . 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 . 25 4.5 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 . 206 37.3 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 0 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 . 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 31 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 169.1 37.1 13.1 6.9 2 2 A F + 0 0 33 23,-0.1 134,-0.4 15,-0.1 2,-0.3 -0.855 360.0 151.6-149.4 124.1 36.2 16.7 7.6 3 3 A C B +A 15 0A 22 12,-1.5 12,-2.8 -2,-0.3 3,-0.0 -0.983 8.9 160.4-146.7 135.1 38.5 19.4 8.9 4 4 A F + 0 0 13 -2,-0.3 516,-0.4 10,-0.2 517,-0.3 0.158 38.9 116.0-134.2 22.3 38.3 23.2 8.4 5 5 A Q + 0 0 12 515,-0.1 2,-0.3 514,-0.1 66,-0.1 0.569 65.1 57.5 -87.3 -7.0 40.4 24.7 11.2 6 6 A C S > S- 0 0 15 488,-0.1 3,-1.4 1,-0.1 514,-0.2 -0.773 85.4-109.9-121.2 172.1 43.2 26.3 9.2 7 7 A Q T 3 S+ 0 0 3 486,-2.1 487,-0.1 1,-0.3 5,-0.1 0.798 111.2 60.1 -71.8 -24.1 43.5 29.0 6.5 8 8 A E T 3 S+ 0 0 12 485,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.217 71.8 143.0 -90.2 16.6 44.6 26.5 3.8 9 9 A T X - 0 0 6 -3,-1.4 3,-2.0 -5,-0.2 -5,-0.1 -0.254 66.2 -79.8 -63.9 149.2 41.5 24.3 4.0 10 10 A A G >> S- 0 0 27 1,-0.3 3,-2.5 2,-0.2 4,-2.4 -0.213 106.1 -14.5 -61.0 130.0 40.4 23.0 0.6 11 11 A K G 34 S- 0 0 195 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.642 113.1 -79.6 56.7 19.6 38.5 25.5 -1.5 12 12 A N G <4 S+ 0 0 57 -3,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.794 127.5 80.7 49.1 33.0 38.0 27.6 1.6 13 13 A T T <4 S- 0 0 95 -3,-2.5 -2,-0.2 1,-0.1 2,-0.2 0.600 100.0 -54.3-128.2 -38.2 35.2 25.1 2.5 14 14 A G < - 0 0 7 -4,-2.4 2,-0.5 -12,-0.0 -10,-0.2 -0.640 37.8-107.6 161.8 139.5 36.8 22.0 4.1 15 15 A C B +A 3 0A 12 -12,-2.8 -12,-1.5 -2,-0.2 4,-0.1 -0.745 40.7 163.9 -82.8 126.5 39.3 19.2 3.6 16 16 A T + 0 0 81 -2,-0.5 -1,-0.1 2,-0.3 3,-0.1 0.586 67.9 22.5-124.4 -13.5 37.3 16.0 3.0 17 17 A V S S- 0 0 109 1,-0.4 8,-0.5 7,-0.0 2,-0.3 0.717 132.2 -7.9-120.2 -52.1 39.6 13.3 1.6 18 18 A K S S- 0 0 123 6,-0.1 -1,-0.4 7,-0.1 -2,-0.3 -0.977 80.2-104.9-144.1 140.3 43.2 14.2 2.6 19 19 A G > - 0 0 8 4,-3.1 3,-1.5 -2,-0.3 -10,-0.1 -0.270 17.3-130.1 -65.4 149.0 44.2 17.4 4.3 20 20 A M T 3 S+ 0 0 119 1,-0.3 -1,-0.2 2,-0.1 -11,-0.1 0.740 114.1 57.2 -63.4 -23.5 46.1 20.1 2.3 21 21 A C T 3 S- 0 0 20 2,-0.1 -1,-0.3 293,-0.0 -2,-0.1 0.583 129.4-100.0 -78.2 -11.3 48.5 20.0 5.2 22 22 A G S < S+ 0 0 29 -3,-1.5 -2,-0.1 1,-0.3 -3,-0.1 0.284 72.0 148.2 108.8 -7.6 49.1 16.3 4.6 23 23 A K - 0 0 17 -5,-0.1 -4,-3.1 4,-0.1 -1,-0.3 -0.444 38.0-142.2 -74.3 121.2 46.8 14.9 7.3 24 24 A P > - 0 0 35 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.309 24.1-100.5 -81.1 164.1 45.3 11.6 6.2 25 25 A E H > S+ 0 0 59 -8,-0.5 4,-2.5 1,-0.2 5,-0.2 0.884 118.7 50.8 -46.0 -49.1 41.8 10.3 6.9 26 26 A E H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 113.0 44.2 -67.7 -37.9 42.7 8.0 9.7 27 27 A T H > S+ 0 0 5 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.911 112.4 52.6 -72.1 -39.8 44.7 10.6 11.6 28 28 A A H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.945 110.8 47.8 -61.0 -46.0 42.1 13.3 11.1 29 29 A N H X S+ 0 0 13 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.883 107.5 54.6 -65.4 -37.2 39.4 11.0 12.5 30 30 A L H X S+ 0 0 11 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.894 105.2 54.1 -64.3 -35.4 41.4 10.0 15.5 31 31 A Q H X S+ 0 0 11 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.919 106.9 52.1 -62.0 -40.5 41.8 13.7 16.4 32 32 A D H X S+ 0 0 26 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.895 108.5 50.4 -58.7 -42.9 38.0 14.0 16.3 33 33 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.886 107.7 53.0 -68.8 -33.9 37.6 11.1 18.7 34 34 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.943 108.2 49.8 -64.0 -42.2 40.1 12.5 21.1 35 35 A I H X S+ 0 0 12 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.927 108.6 55.0 -63.3 -36.3 38.1 15.8 21.2 36 36 A F H X S+ 0 0 15 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.940 108.7 46.9 -55.4 -50.2 35.0 13.7 21.8 37 37 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.910 108.2 55.5 -62.3 -39.5 36.6 12.1 24.8 38 38 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.878 103.8 54.5 -60.3 -35.5 37.8 15.5 26.2 39 39 A R H X S+ 0 0 36 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.878 106.3 53.7 -66.1 -33.1 34.1 16.7 26.1 40 40 A G H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 5,-0.2 0.916 108.1 47.6 -67.9 -43.8 33.3 13.6 28.2 41 41 A I H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.926 111.1 53.9 -54.8 -42.9 35.9 14.6 30.8 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.870 100.8 58.9 -66.1 -36.1 34.5 18.1 30.7 43 43 A I H X S+ 0 0 11 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.969 114.7 34.6 -58.3 -50.9 30.9 17.1 31.4 44 44 A Y H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 5,-0.2 0.885 115.7 56.4 -72.7 -35.3 31.8 15.4 34.7 45 45 A G H X S+ 0 0 7 -4,-2.4 4,-1.7 -5,-0.2 10,-0.3 0.903 109.1 46.3 -64.1 -39.5 34.5 17.9 35.6 46 46 A E H X S+ 0 0 34 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.911 111.7 51.6 -67.1 -42.5 32.1 20.8 35.3 47 47 A K H X S+ 0 0 43 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.880 107.4 52.4 -64.1 -37.6 29.4 19.0 37.4 48 48 A L H <>S+ 0 0 2 -4,-2.5 5,-2.8 2,-0.2 4,-0.3 0.934 108.8 50.3 -65.4 -41.0 31.9 18.2 40.2 49 49 A K H ><5S+ 0 0 93 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.927 108.7 53.2 -57.6 -45.4 32.8 21.9 40.3 50 50 A E H 3<5S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.866 107.3 50.7 -55.6 -40.6 29.1 22.8 40.5 51 51 A L T 3<5S- 0 0 52 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.380 122.7-107.4 -82.1 0.5 28.6 20.4 43.5 52 52 A G T < 5S+ 0 0 55 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.662 95.5 99.9 86.7 16.8 31.6 22.1 45.2 53 53 A Q < - 0 0 110 -5,-2.8 -4,-0.2 -6,-0.2 -3,-0.1 -0.447 53.4-176.3-132.3 61.8 34.1 19.3 44.8 54 54 A P - 0 0 68 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.216 13.3-150.2 -63.6 145.9 36.3 20.3 41.8 55 55 A D + 0 0 48 -10,-0.3 3,-0.3 1,-0.1 -6,-0.1 -0.985 16.4 179.1-123.2 119.5 39.0 17.9 40.6 56 56 A R > + 0 0 70 -2,-0.5 3,-1.6 1,-0.2 4,-0.3 0.183 51.7 107.7-101.1 9.8 42.1 19.4 39.0 57 57 A S T 3 S+ 0 0 62 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.640 79.1 48.6 -71.7 -13.0 43.9 16.2 38.3 58 58 A N T 3> S+ 0 0 11 -3,-0.3 4,-2.5 1,-0.1 -1,-0.3 0.329 75.6 110.6-106.6 10.3 43.3 16.3 34.5 59 59 A D H <> S+ 0 0 20 -3,-1.6 4,-1.9 1,-0.2 5,-0.2 0.919 83.9 38.6 -55.4 -48.6 44.5 19.9 33.9 60 60 A D H > S+ 0 0 70 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.891 112.6 57.3 -75.4 -32.5 47.6 19.1 32.0 61 61 A F H > S+ 0 0 16 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 107.7 48.2 -57.4 -45.5 46.1 16.2 30.1 62 62 A V H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.921 112.2 48.6 -64.4 -43.7 43.4 18.5 28.8 63 63 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.946 114.4 44.9 -61.5 -46.9 45.9 21.2 27.7 64 64 A Q H X S+ 0 0 63 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.885 110.8 54.0 -68.0 -35.4 48.1 18.6 25.9 65 65 A G H X S+ 0 0 1 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.905 110.6 44.9 -67.0 -40.4 45.3 16.9 24.2 66 66 A L H >< S+ 0 0 0 -4,-2.0 3,-1.2 -5,-0.2 4,-0.2 0.939 113.1 52.0 -66.2 -42.4 43.9 20.1 22.7 67 67 A F H >< S+ 0 0 4 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.872 101.3 60.9 -61.0 -39.6 47.5 21.1 21.6 68 68 A A H 3< S+ 0 0 2 -4,-2.2 6,-0.4 1,-0.3 -1,-0.3 0.719 101.4 54.6 -63.3 -20.6 48.1 17.8 19.9 69 69 A T T << S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.418 82.8 113.1 -94.8 3.7 45.2 18.5 17.6 70 70 A I S X S- 0 0 3 -3,-1.9 3,-1.7 -4,-0.2 4,-0.5 -0.384 85.1 -77.0 -72.1 153.0 46.5 21.8 16.4 71 71 A T T 3 S+ 0 0 9 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.222 113.6 0.7 -55.5 131.2 47.6 22.1 12.7 72 72 A N T 3 S+ 0 0 5 240,-0.1 241,-2.5 2,-0.1 240,-0.4 0.719 102.6 109.7 66.2 25.9 51.0 20.6 12.0 73 73 A A S < S+ 0 0 1 -3,-1.7 260,-1.1 1,-0.3 2,-0.4 0.884 78.0 10.1 -97.2 -49.2 51.5 19.4 15.6 74 74 A N B +b 333 0B 4 -4,-0.5 -1,-0.3 -6,-0.4 260,-0.2 -0.988 46.1 169.4-146.3 128.6 51.3 15.6 15.8 75 75 A W + 0 0 26 258,-2.5 2,-0.8 -2,-0.4 260,-0.2 0.229 47.4 108.7-119.8 4.4 51.2 13.1 13.0 76 76 A D >> - 0 0 34 1,-0.2 4,-1.4 257,-0.1 3,-1.2 -0.797 49.1-163.3-102.9 104.9 51.6 9.8 14.9 77 77 A D H 3> S+ 0 0 47 -2,-0.8 4,-2.6 1,-0.3 5,-0.2 0.830 89.3 61.4 -56.2 -31.7 48.5 7.7 15.1 78 78 A A H 3> S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.871 100.6 53.4 -66.0 -33.1 49.9 5.6 17.9 79 79 A R H <> S+ 0 0 60 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.895 109.4 48.5 -66.3 -41.9 50.1 8.7 20.1 80 80 A F H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.910 109.2 52.3 -66.0 -40.2 46.5 9.5 19.5 81 81 A E H X S+ 0 0 80 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.942 110.5 49.1 -63.2 -38.9 45.4 6.0 20.3 82 82 A A H X S+ 0 0 56 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.914 111.5 47.6 -63.8 -42.8 47.3 6.2 23.6 83 83 A M H X S+ 0 0 30 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.869 110.5 52.4 -69.7 -34.5 45.8 9.5 24.6 84 84 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.965 110.9 46.9 -64.2 -49.2 42.3 8.3 23.7 85 85 A S H X S+ 0 0 58 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.914 114.8 46.9 -54.3 -46.1 42.7 5.2 25.9 86 86 A E H X S+ 0 0 86 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.901 109.7 54.1 -65.9 -37.7 44.1 7.3 28.8 87 87 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.891 105.3 52.4 -66.5 -38.3 41.3 9.8 28.4 88 88 A L H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.916 111.0 48.0 -60.0 -42.6 38.6 7.2 28.7 89 89 A A H X S+ 0 0 63 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.905 112.3 48.5 -67.8 -38.8 40.2 5.9 31.9 90 90 A R H X S+ 0 0 71 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.903 110.9 51.6 -63.4 -41.1 40.5 9.5 33.3 91 91 A R H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.939 106.9 52.7 -63.2 -44.6 36.8 10.1 32.4 92 92 A D H X S+ 0 0 57 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.816 105.4 54.6 -64.2 -30.7 35.6 7.0 34.2 93 93 A K H X S+ 0 0 140 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.910 110.3 46.5 -65.9 -41.4 37.4 8.0 37.4 94 94 A L H X S+ 0 0 4 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.911 109.0 55.5 -65.1 -43.2 35.6 11.3 37.3 95 95 A R H X S+ 0 0 78 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.940 107.9 48.5 -53.8 -49.2 32.3 9.6 36.6 96 96 A N H X S+ 0 0 106 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.907 112.4 48.3 -60.4 -42.8 32.6 7.4 39.7 97 97 A A H X S+ 0 0 39 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.928 112.0 49.5 -61.4 -45.3 33.5 10.4 41.9 98 98 A F H X S+ 0 0 3 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.920 107.2 54.1 -61.5 -45.9 30.5 12.4 40.5 99 99 A L H X S+ 0 0 49 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.921 111.3 45.8 -59.4 -41.1 28.0 9.6 41.1 100 100 A A H X S+ 0 0 60 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.906 114.9 45.6 -69.2 -41.1 29.0 9.3 44.8 101 101 A V H X S+ 0 0 13 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.921 111.3 52.9 -70.3 -38.2 29.0 13.0 45.4 102 102 A Y H X S+ 0 0 30 -4,-3.1 4,-1.7 1,-0.2 6,-0.3 0.936 110.3 48.2 -59.0 -48.0 25.6 13.5 43.6 103 103 A K H X S+ 0 0 101 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.899 110.9 50.6 -61.4 -40.3 24.1 10.8 45.8 104 104 A A H < S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.865 116.8 40.0 -65.5 -34.8 25.4 12.2 49.0 105 105 A K H < S+ 0 0 134 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.652 127.2 31.0 -88.5 -18.3 24.1 15.7 48.2 106 106 A N H < S- 0 0 77 -4,-1.7 -2,-0.2 2,-0.2 -3,-0.2 0.562 93.9-127.0-120.0 -16.3 20.7 14.7 46.7 107 107 A G S < S+ 0 0 69 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.1 0.719 81.3 67.0 68.9 23.1 19.7 11.5 48.5 108 108 A K S S- 0 0 125 -6,-0.3 -2,-0.2 -5,-0.2 -1,-0.2 -0.972 89.6 -85.7-158.3 165.3 19.2 9.5 45.3 109 109 A D - 0 0 104 -2,-0.3 2,-0.2 1,-0.1 -9,-0.1 -0.465 48.9-102.9 -72.4 143.2 21.1 8.1 42.4 110 110 A F + 0 0 28 -11,-0.2 -1,-0.1 -2,-0.2 -7,-0.0 -0.467 48.1 164.5 -64.0 133.1 21.8 10.3 39.3 111 111 A S + 0 0 107 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.286 25.8 119.9-140.6 11.3 19.3 9.2 36.6 112 112 A E - 0 0 113 1,-0.1 2,-0.1 0, 0.0 -2,-0.0 -0.493 68.9-100.6 -82.3 153.3 19.3 12.0 34.0 113 113 A P - 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.433 39.4-160.9 -68.9 142.4 20.3 11.3 30.4 114 114 A L - 0 0 40 -2,-0.1 5,-0.1 1,-0.0 -71,-0.0 -0.903 26.3 -92.8-123.0 156.6 23.8 12.4 29.3 115 115 A P > - 0 0 48 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.306 41.5-109.3 -60.7 152.4 25.5 13.0 25.9 116 116 A E G >> S+ 0 0 90 1,-0.3 4,-2.7 2,-0.2 3,-1.6 0.777 115.2 70.4 -56.3 -30.9 27.2 10.0 24.4 117 117 A A G 34 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.2 -77,-0.2 0.826 97.1 54.4 -57.0 -28.7 30.6 11.6 25.0 118 118 A A G <4 S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.665 122.4 21.5 -78.3 -16.2 29.9 10.9 28.7 119 119 A T T <4 S+ 0 0 77 -3,-1.6 -2,-0.2 -4,-0.4 -3,-0.1 0.626 85.3 111.4-128.1 -26.6 29.3 7.2 28.3 120 120 A W < + 0 0 42 -4,-2.7 2,-0.3 1,-0.0 -80,-0.0 -0.271 38.4 169.3 -64.6 143.4 30.7 5.6 25.2 121 121 A T + 0 0 86 5,-0.0 2,-0.3 2,-0.0 -2,-0.0 -0.991 7.3 145.4-145.3 157.3 33.6 3.2 25.6 122 122 A G - 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0 0 5 -2,-1.2 4,-2.6 -153,-0.1 5,-0.3 -0.151 66.4 -80.2 -80.3-175.8 58.8 43.7 23.2 378 378 A H H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.909 127.5 49.8 -67.3 -39.4 56.8 45.8 25.7 379 379 A H H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.956 115.2 44.8 -61.3 -45.3 59.5 46.5 28.2 380 380 A Q H > S+ 0 0 32 -156,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.884 114.8 46.6 -65.1 -41.4 62.0 47.6 25.5 381 381 A V H >< S+ 0 0 18 -4,-2.6 3,-1.0 1,-0.2 7,-0.2 0.916 110.7 51.8 -71.3 -40.1 59.5 49.8 23.6 382 382 A L H >< S+ 0 0 50 -4,-2.6 3,-1.6 -5,-0.3 4,-0.3 0.842 102.5 61.3 -64.5 -32.0 58.3 51.5 26.7 383 383 A A H 3< S+ 0 0 68 -4,-1.7 -1,-0.3 -5,-0.3 3,-0.2 0.798 109.6 42.0 -60.3 -27.5 61.9 52.2 27.6 384 384 A L T + 0 0 22 -3,-1.6 4,-2.9 1,-0.2 5,-0.4 0.891 69.7 55.6 -59.3 -45.5 58.6 55.8 24.8 386 386 A D H > S+ 0 0 140 -4,-0.3 4,-2.5 -3,-0.2 -1,-0.2 0.946 112.4 43.7 -50.8 -49.2 59.9 59.4 24.9 387 387 A K H > S+ 0 0 135 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.912 114.9 46.8 -66.8 -43.1 61.6 59.0 21.6 388 388 A V H X S+ 0 0 17 -4,-2.4 4,-2.1 -7,-0.2 -1,-0.2 0.954 115.1 46.4 -65.8 -45.0 58.7 57.2 19.8 389 389 A V H X S+ 0 0 16 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.918 111.8 51.3 -62.4 -47.1 56.1 59.7 21.1 390 390 A E H X S+ 0 0 132 -4,-2.5 4,-1.8 -5,-0.4 -1,-0.2 0.904 109.2 51.6 -51.4 -46.2 58.3 62.6 20.1 391 391 A A H X>S+ 0 0 15 -4,-2.3 6,-1.6 1,-0.2 5,-1.4 0.861 109.1 49.8 -66.1 -34.6 58.7 61.1 16.6 392 392 A V H <5S+ 0 0 27 -4,-2.1 3,-0.5 4,-0.2 -1,-0.2 0.907 108.8 54.5 -64.7 -38.0 54.9 60.8 16.3 393 393 A K H <5S+ 0 0 154 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.843 107.9 46.3 -69.9 -36.4 54.6 64.4 17.4 394 394 A S H <5S- 0 0 94 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.617 113.6-115.7 -81.0 -13.7 56.9 65.8 14.7 395 395 A G T <5S+ 0 0 43 -4,-0.7 3,-0.2 -3,-0.5 -3,-0.2 0.600 82.0 122.8 88.8 10.7 55.2 63.7 12.0 396 396 A A S - 0 0 72 1,-0.1 3,-1.9 2,-0.1 -2,-0.2 -0.209 64.6-132.8 -69.7 142.3 49.7 30.3 -0.6 411 411 A K G > S+ 0 0 162 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.754 100.0 74.1 -62.7 -26.1 50.9 32.7 -3.4 412 412 A S G > S+ 0 0 58 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.691 78.3 79.3 -59.5 -17.7 48.3 35.3 -2.4 413 413 A R G X> + 0 0 0 -3,-1.9 3,-1.4 1,-0.3 4,-0.9 0.578 65.3 85.9 -73.8 -6.2 50.5 36.0 0.6 414 414 A S H <> S+ 0 0 49 -3,-1.9 4,-2.4 1,-0.3 -1,-0.3 0.803 72.8 79.0 -63.8 -19.4 52.8 38.1 -1.6 415 415 A Y H <> S+ 0 0 15 -3,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.874 89.7 51.9 -45.3 -42.7 50.3 40.8 -0.7 416 416 A Y H <> S+ 0 0 6 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.902 108.7 48.2 -72.9 -38.1 52.1 41.2 2.6 417 417 A T H X S+ 0 0 33 -4,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.907 113.7 48.1 -61.0 -42.6 55.5 41.6 1.1 418 418 A E H X S+ 0 0 80 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.856 108.6 52.5 -76.1 -36.0 54.2 44.2 -1.3 419 419 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 3,-0.4 0.955 109.7 50.5 -54.3 -48.9 52.4 46.1 1.3 420 420 A A H < S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.924 113.6 44.4 -58.8 -42.9 55.6 46.3 3.3 421 421 A E H < S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.727 117.1 44.5 -72.4 -25.6 57.6 47.5 0.3 422 422 A N H < S+ 0 0 83 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.401 82.1 112.2-110.3 -1.5 55.1 50.1 -0.8 423 423 A L S < S- 0 0 10 -4,-1.4 4,-0.1 -3,-0.4 123,-0.0 -0.427 81.1 -93.3 -60.2 151.3 54.1 51.7 2.5 424 424 A P > - 0 0 45 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.243 32.8-112.1 -68.4 159.3 55.3 55.3 2.7 425 425 A K T 3 S+ 0 0 181 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.589 111.0 64.9 -78.4 -9.5 58.7 55.9 4.3 426 426 A D T 3 S+ 0 0 65 -29,-0.1 -28,-3.4 2,-0.0 -27,-0.9 -0.024 86.9 91.1 -98.4 28.5 57.2 57.7 7.4 427 427 A T E < -i 399 0E 0 -3,-1.2 2,-0.4 -30,-0.2 -27,-0.2 -0.911 61.3-148.2-119.0 155.1 55.4 54.5 8.6 428 428 A V E -i 400 0E 0 -29,-2.1 -27,-2.4 -2,-0.3 2,-0.5 -0.973 10.8-139.9-120.7 136.7 56.6 51.8 11.0 429 429 A I E -ik 401 453E 0 23,-3.4 25,-3.0 -2,-0.4 2,-0.4 -0.828 11.6-158.9 -94.7 126.7 55.6 48.1 10.9 430 430 A L E +ik 402 454E 17 -29,-2.4 -27,-2.9 -2,-0.5 -26,-0.3 -0.906 23.5 169.5-104.1 133.7 54.9 46.4 14.2 431 431 A T E + k 0 455E 0 23,-2.3 25,-2.7 -2,-0.4 26,-0.3 -0.931 23.1 165.1-143.8 164.9 55.1 42.6 14.1 432 432 A A + 0 0 0 -2,-0.3 -27,-2.4 24,-0.2 3,-0.3 -0.873 53.2 39.8-169.0 150.9 55.1 39.3 16.0 433 433 A G S > S- 0 0 0 24,-2.0 3,-1.9 -2,-0.3 -27,-0.2 -0.092 103.7 -59.5 87.9 168.4 54.7 35.6 14.9 434 434 A C G > S+ 0 0 9 1,-0.3 3,-1.9 2,-0.2 -28,-0.2 0.616 116.5 86.2 -72.8 -6.1 56.0 34.0 11.7 435 435 A A G > S+ 0 0 5 -30,-2.2 3,-1.6 -3,-0.3 -1,-0.3 0.801 74.8 78.4 -55.7 -21.7 54.1 36.4 9.4 436 436 A K G X> S+ 0 0 0 -3,-1.9 3,-2.2 -31,-0.3 4,-1.6 0.782 73.9 74.4 -57.1 -28.5 57.2 38.4 9.9 437 437 A Y G <4 S+ 0 0 27 -3,-1.9 -1,-0.3 1,-0.3 4,-0.2 0.660 80.3 71.6 -71.0 -10.5 59.2 36.3 7.4 438 438 A R G <4 S+ 0 0 32 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.612 123.3 4.3 -71.0 -10.8 57.3 38.0 4.5 439 439 A Y T X4 S+ 0 0 3 -3,-2.2 3,-1.0 -4,-0.2 -2,-0.2 0.372 98.1 99.4-155.2 4.1 59.3 41.2 5.1 440 440 A N T 3< S+ 0 0 19 -4,-1.6 -67,-0.2 1,-0.2 -3,-0.1 0.555 85.6 52.5 -85.1 -2.8 61.9 40.9 7.8 441 441 A K T 3 S+ 0 0 74 -4,-0.2 -1,-0.2 -69,-0.1 2,-0.2 0.291 87.4 100.1-113.1 11.9 64.8 40.4 5.4 442 442 A L S < S- 0 0 57 -3,-1.0 2,-0.9 3,-0.0 3,-0.1 -0.592 78.2-123.4 -78.4 152.5 64.1 43.5 3.4 443 443 A N + 0 0 170 -2,-0.2 -3,-0.1 1,-0.2 -2,-0.1 -0.814 45.7 155.9 -99.5 97.0 66.1 46.6 4.1 444 444 A L - 0 0 39 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.505 39.1-147.8-101.2 -6.9 63.4 49.1 4.9 445 445 A G - 0 0 46 -3,-0.1 7,-2.4 6,-0.0 8,-0.4 -0.347 16.9 -76.7 79.0-150.4 65.7 51.3 6.9 446 446 A D E -O 451 0G 94 5,-0.3 2,-0.5 6,-0.1 -18,-0.0 -0.906 16.2-128.3-144.6 167.7 64.9 53.5 9.9 447 447 A I E > S-O 450 0G 23 3,-3.1 3,-1.7 -2,-0.3 -56,-0.1 -0.930 93.1 -28.8-123.6 107.1 63.4 56.7 11.1 448 448 A G T 3 S- 0 0 88 -2,-0.5 -1,-0.0 1,-0.3 -57,-0.0 0.771 128.8 -45.9 60.5 25.2 65.7 58.7 13.4 449 449 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 0, 0.0 -4,-0.0 0.443 113.4 118.1 94.1 -0.4 67.3 55.4 14.5 450 450 A I E < -O 447 0G 24 -3,-1.7 -3,-3.1 -63,-0.1 -1,-0.3 -0.895 69.7-120.5 -91.0 121.8 64.0 53.5 15.0 451 451 A P E -O 446 0G 33 0, 0.0 -5,-0.3 0, 0.0 -6,-0.0 -0.316 10.6-131.0 -58.3 144.1 63.9 50.5 12.7 452 452 A R S S+ 0 0 16 -7,-2.4 -23,-3.4 1,-0.2 2,-0.5 0.650 99.4 54.0 -72.8 -17.3 60.9 50.6 10.3 453 453 A V E S-k 429 0E 28 -8,-0.4 2,-0.6 -25,-0.2 -23,-0.2 -0.967 71.8-169.6-115.8 120.8 60.2 47.0 11.3 454 454 A L E -k 430 0E 11 -25,-3.0 -23,-2.3 -2,-0.5 2,-0.7 -0.913 6.5-159.0-111.4 110.1 59.9 46.4 15.0 455 455 A D E -k 431 0E 6 -2,-0.6 -79,-2.1 -82,-0.3 -80,-1.7 -0.744 13.3-179.6 -92.1 111.1 59.8 42.6 15.9 456 456 A A - 0 0 2 -25,-2.7 2,-0.4 -2,-0.7 -24,-0.2 0.685 47.5-109.9 -86.4 -14.5 58.2 42.0 19.3 457 457 A G + 0 0 0 -26,-0.3 -24,-2.0 -24,-0.1 -1,-0.2 -0.980 64.2 7.9 139.3-132.6 58.7 38.2 19.2 458 458 A Q S > S- 0 0 3 -2,-0.4 3,-1.8 -26,-0.3 4,-0.2 -0.202 82.4 -90.3 -84.0 176.9 56.6 35.0 18.8 459 459 A C G > S+ 0 0 2 1,-0.3 3,-1.9 -27,-0.2 4,-0.2 0.905 129.1 60.2 -59.2 -34.0 52.9 35.1 17.9 460 460 A N G > S+ 0 0 7 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.723 90.7 71.0 -61.0 -23.7 52.2 35.1 21.7 461 461 A D G X> + 0 0 6 -3,-1.8 4,-0.9 1,-0.3 3,-0.8 0.415 65.4 93.6 -80.6 3.5 54.1 38.4 21.8 462 462 A S H <> S+ 0 0 15 -3,-1.9 4,-1.7 -4,-0.2 -1,-0.3 0.800 74.6 72.7 -52.2 -25.9 51.2 40.1 20.0 463 463 A Y H <> S+ 0 0 58 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.910 90.1 54.2 -55.4 -44.5 50.4 40.7 23.7 464 464 A S H <> S+ 0 0 0 -3,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.870 103.1 57.0 -59.0 -37.9 53.2 43.3 23.8 465 465 A L H X S+ 0 0 18 -4,-0.9 4,-2.1 -3,-0.2 -1,-0.2 0.882 107.8 47.4 -61.2 -40.2 51.7 45.1 20.8 466 466 A A H X S+ 0 0 16 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.933 110.0 51.6 -63.6 -46.0 48.4 45.5 22.8 467 467 A V H X S+ 0 0 32 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.905 110.9 49.8 -60.4 -37.8 50.2 46.7 25.9 468 468 A I H X S+ 0 0 14 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.938 110.8 48.2 -64.8 -47.2 52.0 49.3 23.7 469 469 A A H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.912 109.6 53.3 -61.5 -40.1 48.8 50.5 22.1 470 470 A L H X S+ 0 0 85 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.881 110.3 48.0 -61.3 -37.8 47.1 50.8 25.5 471 471 A K H X S+ 0 0 68 -4,-1.8 4,-2.5 -5,-0.2 3,-0.2 0.928 109.2 51.2 -69.5 -43.8 50.0 52.9 26.7 472 472 A L H X S+ 0 0 22 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.887 105.9 57.7 -59.1 -37.2 49.9 55.2 23.7 473 473 A K H <>S+ 0 0 63 -4,-2.1 5,-2.0 -5,-0.2 4,-0.4 0.890 109.4 44.2 -58.0 -42.2 46.2 55.7 24.2 474 474 A E H ><5S+ 0 0 147 -4,-1.3 3,-0.7 -3,-0.2 -2,-0.2 0.904 112.2 52.1 -69.6 -43.6 46.8 57.0 27.8 475 475 A V H 3<5S+ 0 0 75 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.853 114.2 41.7 -61.2 -38.2 49.7 59.2 26.7 476 476 A F T 3<5S- 0 0 68 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.460 108.3-126.2 -93.5 -2.1 47.7 60.9 23.9 477 477 A G T < 5 + 0 0 58 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.837 49.8 160.3 64.7 39.5 44.7 61.1 26.1 478 478 A L < - 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