==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-MAR-04 1SIJ . COMPND 2 MOLECULE: ALDEHYDE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR D.R.BOER,A.THAPPER,C.D.BRONDINO,M.J.ROMAO,J.J.G.MOURA . 907 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 72 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.5 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 2 2 3 2 4 0 1 2 2 2 0 1 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 0 2 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 PARALLEL BRIDGES PER LADDER . 5 3 0 5 0 2 2 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 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 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 0 186 0, 0.0 2,-0.3 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 147.1 34.4 17.0 3.2 2 2 A I E -A 17 0A 75 15,-2.5 15,-2.2 2,-0.0 2,-0.5 -0.983 360.0-128.4-134.9 146.4 37.8 18.6 3.1 3 3 A Q E -A 16 0A 101 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.831 26.4-175.2 -89.0 127.8 40.9 18.2 0.9 4 4 A K E -A 15 0A 15 11,-2.8 11,-2.1 -2,-0.5 2,-0.8 -0.946 12.0-159.7-127.7 109.7 44.1 17.7 3.0 5 5 A V E +A 14 0A 55 -2,-0.5 65,-2.2 9,-0.2 2,-0.2 -0.798 35.8 147.1 -89.0 107.7 47.4 17.6 1.2 6 6 A I E -A 13 0A 2 7,-2.2 7,-3.2 -2,-0.8 2,-0.5 -0.697 49.0-103.4-131.4 179.8 49.7 15.8 3.6 7 7 A T E -Ab 12 72A 25 64,-3.0 66,-3.3 5,-0.3 2,-0.5 -0.967 29.0-175.1-114.0 124.0 52.7 13.5 3.7 8 8 A V E > S-Ab 11 73A 4 3,-2.9 3,-1.8 -2,-0.5 66,-0.2 -0.975 75.5 -20.0-119.8 116.2 52.2 9.8 4.7 9 9 A N T 3 S- 0 0 35 64,-3.2 65,-0.1 -2,-0.5 -1,-0.1 0.861 128.6 -50.9 54.6 39.8 55.3 7.6 5.0 10 10 A G T 3 S+ 0 0 66 63,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.399 119.0 108.6 81.6 -2.3 57.3 10.1 2.9 11 11 A I E < S-A 8 0A 117 -3,-1.8 -3,-2.9 2,-0.0 2,-0.3 -0.923 73.4-118.5-113.3 129.5 54.8 10.2 0.1 12 12 A E E -A 7 0A 145 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.3 -0.453 32.1-162.2 -63.4 123.7 52.5 13.2 -0.6 13 13 A Q E -A 6 0A 56 -7,-3.2 -7,-2.2 -2,-0.3 2,-1.2 -0.950 17.6-148.8-114.1 129.4 48.9 12.1 -0.3 14 14 A N E -A 5 0A 87 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.754 33.0-165.6 -91.9 87.0 46.0 14.1 -1.7 15 15 A L E -A 4 0A 4 -11,-2.1 -11,-2.8 -2,-1.2 2,-0.5 -0.550 21.4-168.6 -87.5 138.0 43.5 13.2 1.0 16 16 A F E +A 3 0A 93 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.970 32.0 151.9-125.1 112.4 39.7 13.7 0.8 17 17 A V E -A 2 0A 1 -15,-2.2 -15,-2.5 -2,-0.5 2,-0.5 -0.904 52.2-104.7-141.6 155.6 38.2 13.2 4.2 18 18 A D > - 0 0 89 -2,-0.3 3,-1.7 -17,-0.2 46,-0.4 -0.772 33.4-135.5 -76.5 129.3 35.4 13.9 6.7 19 19 A A T 3 S+ 0 0 36 -2,-0.5 46,-1.9 1,-0.3 47,-0.2 0.784 107.2 52.0 -55.9 -28.7 36.8 16.3 9.3 20 20 A E T 3 S+ 0 0 94 44,-0.2 -1,-0.3 43,-0.2 2,-0.0 0.517 87.6 114.7 -84.9 -9.3 35.1 14.2 11.9 21 21 A A S < S- 0 0 22 -3,-1.7 43,-2.2 1,-0.1 2,-0.2 -0.294 72.1-111.2 -68.6 147.5 36.6 10.9 10.6 22 22 A L B > -E 63 0B 52 41,-0.2 4,-2.1 1,-0.1 41,-0.2 -0.567 14.3-134.4 -77.6 138.7 39.1 8.9 12.7 23 23 A L H > S+ 0 0 0 39,-2.8 4,-2.9 36,-0.7 5,-0.3 0.863 107.4 58.1 -60.0 -35.4 42.7 8.9 11.5 24 24 A S H > S+ 0 0 2 35,-2.1 4,-2.3 38,-0.2 5,-0.2 0.918 108.1 45.1 -60.1 -46.2 42.7 5.1 12.1 25 25 A D H >>S+ 0 0 53 34,-0.3 4,-2.8 2,-0.2 5,-0.9 0.883 114.3 49.4 -62.6 -42.5 39.7 4.6 9.7 26 26 A V H X>S+ 0 0 0 -4,-2.1 5,-1.8 3,-0.2 4,-0.8 0.961 114.4 43.1 -64.0 -53.6 41.3 6.9 7.1 27 27 A L H <5S+ 0 0 0 -4,-2.9 6,-3.2 3,-0.2 -2,-0.2 0.897 122.6 38.5 -59.2 -44.5 44.7 5.2 7.1 28 28 A R H <5S+ 0 0 16 -4,-2.3 4,-0.3 -5,-0.3 -2,-0.2 0.945 129.2 24.1 -75.0 -50.9 43.2 1.7 7.2 29 29 A Q H <5S+ 0 0 115 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.936 129.7 34.5 -88.0 -52.5 40.2 2.0 4.8 30 30 A Q T < + 0 0 26 -6,-3.2 3,-1.7 1,-0.2 -1,-0.2 -0.531 9.8 163.4 -86.7 75.1 47.4 0.9 5.6 34 34 A T T 3 + 0 0 6 -2,-1.8 -1,-0.2 1,-0.3 4,-0.1 0.455 58.9 86.3 -76.6 -1.0 46.3 -2.1 7.6 35 35 A G T 3 + 0 0 1 -3,-0.1 2,-1.1 155,-0.1 -1,-0.3 0.615 69.6 86.6 -69.3 -15.4 49.6 -2.0 9.4 36 36 A V S < S- 0 0 4 -3,-1.7 2,-0.3 -12,-0.1 12,-0.2 -0.810 81.2-153.3 -83.6 102.3 47.8 0.5 11.7 37 37 A K - 0 0 2 -2,-1.1 2,-0.5 10,-1.0 12,-0.1 -0.616 9.0-157.5 -87.4 138.8 46.2 -2.1 14.0 38 38 A V + 0 0 16 -2,-0.3 159,-0.1 1,-0.1 -2,-0.0 -0.968 28.7 142.7-121.5 123.7 43.0 -1.3 15.8 39 39 A G S S+ 0 0 2 -2,-0.5 411,-0.4 330,-0.1 -1,-0.1 0.595 73.5 18.9-117.7 -84.0 42.0 -3.0 19.0 40 40 A C S S- 0 0 5 409,-0.1 410,-0.2 1,-0.1 411,-0.2 0.711 74.3-152.7 -69.9 -24.4 40.2 -1.2 21.8 41 41 A E S S+ 0 0 67 1,-0.1 -1,-0.1 408,-0.1 -3,-0.0 0.672 75.9 88.7 55.9 19.6 39.1 1.8 19.6 42 42 A Q S S- 0 0 94 19,-0.0 -1,-0.1 408,-0.0 19,-0.1 0.096 106.0-102.2-133.9 22.7 39.1 3.9 22.8 43 43 A G S S+ 0 0 4 1,-0.1 15,-0.1 91,-0.0 18,-0.0 0.695 94.3 106.8 70.1 21.6 42.7 5.2 23.0 44 44 A Q S S+ 0 0 51 1,-0.1 -1,-0.1 92,-0.0 788,-0.0 0.602 72.8 41.0-109.4 -12.4 43.7 2.7 25.7 45 45 A C S S- 0 0 4 90,-0.1 91,-2.9 323,-0.1 4,-0.1 0.641 81.0-138.8-117.6 -20.2 45.9 0.2 24.0 46 46 A G > + 0 0 2 89,-0.2 3,-1.8 1,-0.1 64,-0.2 0.468 62.6 126.6 74.3 3.8 48.3 2.0 21.6 47 47 A A T 3 S+ 0 0 2 1,-0.3 -10,-1.0 87,-0.2 59,-0.3 0.809 75.3 52.0 -61.6 -28.8 48.0 -0.6 18.8 48 48 A C T 3 S+ 0 0 4 -12,-0.2 11,-1.8 57,-0.1 -1,-0.3 0.083 79.7 150.0 -95.2 19.1 47.0 2.3 16.4 49 49 A S E < +C 58 0A 5 -3,-1.8 2,-0.3 9,-0.2 9,-0.2 -0.338 16.2 168.5 -56.9 125.5 50.1 4.4 17.4 50 50 A V E -C 57 0A 0 7,-2.5 7,-2.7 25,-0.1 2,-0.6 -0.924 36.8-113.2-130.1 161.5 51.2 6.6 14.5 51 51 A I E -CD 56 74A 9 23,-2.5 23,-1.9 -2,-0.3 2,-0.5 -0.883 30.3-176.1 -96.7 118.8 53.6 9.5 14.3 52 52 A L E > S-CD 55 73A 19 3,-3.2 3,-2.2 -2,-0.6 21,-0.2 -0.976 72.5 -29.5-114.3 117.1 52.0 12.9 13.6 53 53 A D T 3 S- 0 0 87 19,-2.6 -1,-0.1 -2,-0.5 20,-0.1 0.872 127.8 -43.6 38.9 54.7 54.4 15.8 13.2 54 54 A G T 3 S+ 0 0 56 18,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.453 119.8 105.0 79.4 1.0 57.0 14.2 15.5 55 55 A K E < -C 52 0A 153 -3,-2.2 -3,-3.2 2,-0.0 2,-0.7 -0.917 69.7-126.0-115.6 143.6 54.4 13.2 18.2 56 56 A V E +C 51 0A 12 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.775 40.3 170.7 -85.4 116.6 53.1 9.7 18.9 57 57 A V E -C 50 0A 35 -7,-2.7 -7,-2.5 -2,-0.7 2,-0.8 -0.862 39.9-113.2-122.7 159.9 49.3 9.7 18.8 58 58 A R E > -C 49 0A 66 -2,-0.3 3,-1.8 -9,-0.2 -9,-0.2 -0.862 22.7-155.4 -92.9 110.8 46.6 7.1 18.8 59 59 A A G > S+ 0 0 0 -11,-1.8 -35,-2.1 -2,-0.8 3,-0.8 0.700 87.5 67.9 -60.2 -22.3 45.0 7.3 15.4 60 60 A C G 3 S+ 0 0 7 1,-0.2 -1,-0.3 -37,-0.2 -38,-0.0 0.650 110.8 32.3 -76.3 -16.5 41.7 5.8 16.8 61 61 A V G < S+ 0 0 83 -3,-1.8 2,-0.6 2,-0.1 -1,-0.2 0.068 97.7 99.5-123.3 19.4 41.0 9.0 18.8 62 62 A T < - 0 0 15 -3,-0.8 -39,-2.8 -4,-0.1 -38,-0.2 -0.930 62.0-153.0-108.2 110.2 42.6 11.4 16.4 63 63 A K B > -E 22 0B 82 -2,-0.6 3,-2.2 -41,-0.2 4,-0.2 -0.535 24.9-115.2 -82.1 151.2 40.0 13.2 14.2 64 64 A M G > S+ 0 0 0 -43,-2.2 3,-1.7 -46,-0.4 -44,-0.2 0.741 111.3 68.8 -61.6 -25.1 41.1 14.5 10.8 65 65 A K G 3 S+ 0 0 77 -46,-1.9 -1,-0.3 1,-0.3 -45,-0.1 0.749 94.7 57.7 -64.2 -22.5 40.5 18.1 11.8 66 66 A R G < S+ 0 0 172 -3,-2.2 2,-0.8 -47,-0.2 -1,-0.3 0.506 88.8 87.9 -84.5 -5.0 43.5 17.7 14.1 67 67 A V S < S- 0 0 0 -3,-1.7 3,-0.1 -4,-0.2 2,-0.1 -0.857 75.7-147.5 -96.2 110.8 45.6 16.8 11.1 68 68 A A > - 0 0 54 -2,-0.8 3,-1.8 1,-0.1 2,-0.2 -0.334 26.9 -87.7 -77.2 157.3 46.9 20.0 9.6 69 69 A D T 3 S+ 0 0 116 1,-0.3 -63,-0.2 -63,-0.1 -1,-0.1 -0.449 118.5 20.1 -57.9 129.8 47.6 20.7 5.9 70 70 A G T 3 S+ 0 0 48 -65,-2.2 -1,-0.3 1,-0.2 -64,-0.2 0.607 91.2 158.0 79.9 12.6 51.1 19.6 5.1 71 71 A A < - 0 0 2 -3,-1.8 -64,-3.0 -66,-0.1 2,-0.5 -0.219 37.8-130.5 -62.3 157.0 51.2 17.3 8.2 72 72 A Q E -b 7 0A 103 -66,-0.2 -19,-2.6 -64,-0.1 2,-0.4 -0.968 24.5-174.3-117.0 120.7 53.7 14.4 8.3 73 73 A I E -bD 8 52A 2 -66,-3.3 -64,-3.2 -2,-0.5 2,-0.4 -0.936 7.2-169.5-116.5 137.4 52.4 11.0 9.2 74 74 A T E + D 0 51A 30 -23,-1.9 -23,-2.5 -2,-0.4 2,-0.2 -0.996 9.1 175.2-122.6 125.0 54.5 7.8 9.8 75 75 A T >> - 0 0 0 -2,-0.4 3,-1.3 -25,-0.2 4,-0.9 -0.576 53.4 -85.9-109.8-177.7 52.9 4.4 10.2 76 76 A I H >> S+ 0 0 2 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.855 127.3 62.2 -58.6 -35.2 54.6 1.0 10.4 77 77 A E H 34 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.2 114,-0.0 0.757 105.5 47.4 -60.9 -27.3 54.7 0.8 6.6 78 78 A G H <4 S+ 0 0 30 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.623 102.4 62.1 -89.1 -17.8 56.9 3.9 6.7 79 79 A V H << S- 0 0 13 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.887 124.0 -47.5 -69.9 -41.5 59.2 2.6 9.4 80 80 A G < - 0 0 1 -4,-1.5 -1,-0.3 5,-0.1 5,-0.2 -0.917 47.3-134.2 172.9 161.4 60.3 -0.3 7.2 81 81 A Q B > -F 84 0C 77 3,-1.2 3,-2.8 -2,-0.3 110,-0.1 -0.817 45.3 -86.8-129.1 164.3 59.3 -3.2 4.9 82 82 A P T 3 S+ 0 0 59 0, 0.0 3,-0.3 0, 0.0 105,-0.0 0.760 129.4 37.1 -46.7 -36.6 60.3 -6.8 4.7 83 83 A E T 3 S+ 0 0 198 1,-0.2 -3,-0.0 0, 0.0 0, 0.0 0.424 125.1 42.6 -93.6 2.0 63.3 -6.1 2.3 84 84 A N B < S-F 81 0C 108 -3,-2.8 -3,-1.2 2,-0.0 -1,-0.2 -0.492 79.4-178.1-147.8 61.5 64.2 -2.9 4.2 85 85 A L - 0 0 32 -3,-0.3 -5,-0.1 -5,-0.2 105,-0.0 -0.458 22.7-130.4 -73.7 136.9 63.9 -3.4 7.9 86 86 A H >> - 0 0 40 -2,-0.2 4,-2.3 1,-0.1 3,-1.0 -0.515 30.6-108.0 -73.2 148.5 64.4 -0.6 10.4 87 87 A P H 3> S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.827 122.5 56.3 -45.7 -35.7 66.8 -1.4 13.3 88 88 A L H 3> S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 64,-0.1 0.833 108.4 45.9 -68.6 -33.3 63.7 -1.5 15.6 89 89 A Q H <> S+ 0 0 0 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.861 113.5 48.6 -76.2 -37.4 62.1 -4.2 13.4 90 90 A K H X S+ 0 0 44 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 112.0 50.3 -64.7 -44.1 65.3 -6.2 13.3 91 91 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.858 107.7 52.9 -63.1 -40.1 65.6 -5.9 17.0 92 92 A W H <>S+ 0 0 0 -4,-1.6 5,-2.5 2,-0.2 6,-0.5 0.911 111.0 47.3 -59.1 -46.2 62.0 -7.0 17.6 93 93 A V H ><5S+ 0 0 19 -4,-1.7 3,-0.8 1,-0.2 89,-0.3 0.923 113.4 47.3 -61.1 -48.9 62.6 -10.2 15.5 94 94 A L H 3<5S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.814 116.7 42.9 -65.4 -35.1 65.9 -11.0 17.3 95 95 A H T 3<5S- 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.367 110.7-118.4 -96.0 2.8 64.5 -10.5 20.7 96 96 A G T < 5 + 0 0 5 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.778 60.6 149.9 68.3 29.7 61.2 -12.3 20.0 97 97 A G < + 0 0 1 -5,-2.5 2,-0.9 47,-0.2 4,-0.2 0.699 53.6 75.5 -67.3 -24.5 59.0 -9.3 20.7 98 98 A A + 0 0 2 -6,-0.5 84,-0.2 1,-0.1 -1,-0.1 -0.822 48.5 145.0 -91.4 103.6 56.4 -10.4 18.1 99 99 A Q S S- 0 0 5 -2,-0.9 -1,-0.1 707,-0.1 557,-0.1 0.694 94.1 -5.0 -93.9 -89.3 54.4 -13.2 19.7 100 100 A C S S- 0 0 8 318,-0.1 -2,-0.1 555,-0.1 555,-0.1 0.804 95.1-148.7 -69.3 -28.7 50.8 -12.7 18.4 101 101 A G + 0 0 2 -4,-0.2 3,-0.3 553,-0.1 90,-0.1 0.444 60.1 121.6 80.5 3.0 52.3 -9.6 16.8 102 102 A F S S+ 0 0 3 1,-0.2 4,-0.3 2,-0.1 -65,-0.1 0.823 81.3 39.9 -67.5 -31.5 49.2 -7.4 17.0 103 103 A C S > S+ 0 0 9 1,-0.1 4,-2.6 2,-0.1 -1,-0.2 0.549 92.6 92.0 -91.8 -11.9 50.8 -4.8 19.2 104 104 A S H > S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.2 5,-0.3 0.887 82.9 48.7 -56.8 -50.6 54.1 -4.9 17.3 105 105 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.940 115.4 45.0 -55.0 -50.9 53.4 -2.1 14.7 106 106 A G H > S+ 0 0 0 -4,-0.3 4,-2.8 -59,-0.3 -2,-0.2 0.894 114.5 48.7 -58.1 -44.0 52.2 0.3 17.4 107 107 A F H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.921 114.1 45.1 -63.0 -46.7 55.1 -0.5 19.8 108 108 A I H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.902 115.0 47.5 -66.3 -43.5 57.7 -0.1 17.0 109 109 A V H X S+ 0 0 1 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.947 114.5 47.2 -61.3 -47.7 56.1 3.2 15.8 110 110 A S H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.912 110.6 52.1 -58.7 -45.3 55.9 4.5 19.4 111 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.801 105.5 55.7 -61.7 -31.9 59.5 3.4 20.0 112 112 A K H X S+ 0 0 46 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.885 105.8 50.6 -69.5 -40.1 60.6 5.4 16.9 113 113 A G H < S+ 0 0 2 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.876 110.9 51.2 -58.7 -41.0 59.0 8.5 18.3 114 114 A L H >X S+ 0 0 4 -4,-1.9 4,-3.2 1,-0.2 3,-1.4 0.946 110.5 46.0 -60.1 -51.5 60.9 7.8 21.5 115 115 A L H 3< S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.761 106.0 60.1 -70.0 -25.4 64.3 7.4 19.8 116 116 A D T 3< S+ 0 0 104 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.643 119.7 28.3 -72.6 -16.0 63.7 10.6 17.7 117 117 A T T <4 S+ 0 0 91 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.659 134.5 29.3-115.1 -31.5 63.4 12.6 21.0 118 118 A N < - 0 0 53 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.833 66.1-178.7-131.9 95.0 65.6 10.6 23.3 119 119 A A S S+ 0 0 50 -2,-0.3 38,-0.1 1,-0.3 -1,-0.1 0.776 80.1 33.5 -66.6 -31.4 68.4 8.8 21.4 120 120 A D S S+ 0 0 99 37,-0.0 -1,-0.3 34,-0.0 2,-0.0 -0.533 82.8 176.1-127.9 66.5 70.0 7.0 24.3 121 121 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 32,-0.1 -0.320 27.1-125.0 -74.9 150.2 67.2 6.1 26.8 122 122 A S > - 0 0 55 1,-0.1 4,-2.0 -2,-0.0 5,-0.1 -0.401 35.2-102.4 -76.2 167.8 67.5 4.1 30.0 123 123 A R H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.881 126.7 52.4 -58.6 -37.8 65.3 1.1 30.5 124 124 A E H > S+ 0 0 120 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.880 105.0 54.3 -67.0 -40.4 63.2 3.2 32.8 125 125 A D H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.927 108.5 50.0 -54.1 -48.4 62.9 5.9 30.1 126 126 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.946 113.1 45.2 -57.1 -52.1 61.6 3.2 27.7 127 127 A R H X S+ 0 0 23 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.921 111.8 52.6 -57.3 -48.3 59.0 2.0 30.3 128 128 A D H X S+ 0 0 67 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.894 111.1 48.1 -52.2 -45.7 58.0 5.6 31.0 129 129 A W H X S+ 0 0 44 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.921 111.6 46.9 -65.2 -47.6 57.4 6.2 27.3 130 130 A F H <>S+ 0 0 1 -4,-2.5 5,-2.1 1,-0.2 -1,-0.2 0.795 114.2 50.1 -66.7 -28.5 55.4 3.1 26.7 131 131 A Q H ><5S+ 0 0 54 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.921 111.5 46.6 -70.8 -48.3 53.3 3.9 29.8 132 132 A K H 3<5S+ 0 0 150 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.908 117.3 43.3 -60.9 -43.1 52.6 7.5 28.8 133 133 A H T 3<5S- 0 0 18 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.343 109.4-126.4 -90.9 5.7 51.7 6.4 25.2 134 134 A R T < 5 + 0 0 75 -3,-0.9 2,-0.8 1,-0.2 -3,-0.2 0.747 39.8 174.7 61.0 33.9 49.6 3.5 26.5 135 135 A N < - 0 0 2 -5,-2.1 706,-0.4 -6,-0.2 2,-0.3 -0.615 13.3-166.0 -74.4 108.1 51.3 0.7 24.5 136 136 A A - 0 0 1 -91,-2.9 2,-0.4 -2,-0.8 704,-0.1 -0.759 13.7-178.4-101.0 142.4 49.7 -2.5 25.8 137 137 A C - 0 0 7 702,-0.3 4,-0.2 -2,-0.3 -2,-0.0 -0.992 13.6-177.2-139.7 133.7 50.9 -6.0 25.2 138 138 A R S S+ 0 0 10 -2,-0.4 676,-0.1 2,-0.1 -1,-0.1 0.533 80.3 50.8-103.6 -9.9 49.2 -9.2 26.5 139 139 A C S S+ 0 0 8 -42,-0.1 671,-0.3 1,-0.1 672,-0.1 0.857 109.3 34.3 -95.5 -42.1 51.7 -11.7 25.2 140 140 A T S S- 0 0 1 670,-0.1 3,-0.3 669,-0.1 670,-0.2 0.531 84.6-124.4-105.3 -13.3 55.3 -10.8 26.2 141 141 A G - 0 0 3 -4,-0.2 2,-1.6 1,-0.2 -3,-0.1 0.718 54.4 -95.9 65.2 20.3 55.3 -9.1 29.6 142 142 A Y S >> S+ 0 0 1 1,-0.2 4,-2.2 -45,-0.1 3,-0.6 -0.030 104.3 102.2 72.0 -33.9 57.1 -6.1 28.0 143 143 A K H 3> S+ 0 0 35 -2,-1.6 4,-3.0 -3,-0.3 5,-0.2 0.886 81.5 48.2 -51.1 -50.4 60.6 -7.1 28.9 144 144 A P H 3> S+ 0 0 6 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.816 110.4 54.3 -61.9 -29.6 61.6 -8.4 25.4 145 145 A L H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.920 110.2 44.4 -70.6 -44.3 60.1 -5.2 23.9 146 146 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.936 110.9 55.9 -62.9 -46.4 62.3 -3.0 26.1 147 147 A D H X S+ 0 0 44 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.880 109.0 48.2 -47.2 -42.5 65.2 -5.4 25.3 148 148 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.903 109.5 50.3 -72.1 -42.2 64.5 -4.7 21.6 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.970 111.2 49.4 -58.0 -53.6 64.4 -0.9 22.0 150 150 A M H X S+ 0 0 56 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.879 112.6 47.6 -52.1 -45.1 67.7 -0.8 23.9 151 151 A D H X S+ 0 0 47 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.880 112.8 47.2 -67.5 -41.0 69.4 -2.9 21.3 152 152 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.872 108.6 56.7 -65.2 -38.9 68.1 -0.9 18.3 153 153 A A H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.915 103.6 52.7 -60.1 -45.4 69.1 2.3 20.1 154 154 A A H X>S+ 0 0 16 -4,-1.8 5,-2.6 1,-0.2 6,-1.1 0.873 111.6 47.5 -56.6 -40.6 72.7 1.2 20.4 155 155 A V H ><5S+ 0 0 15 -4,-1.3 3,-1.1 4,-0.2 -2,-0.2 0.936 111.3 48.2 -68.2 -49.0 72.8 0.5 16.6 156 156 A I H 3<5S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.812 110.0 54.9 -62.9 -30.0 71.2 3.9 15.7 157 157 A N H 3<5S- 0 0 55 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.639 115.2-115.1 -76.3 -18.3 73.7 5.6 18.0 158 158 A G T <<5S+ 0 0 67 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.717 85.5 116.6 86.2 24.9 76.7 4.0 16.2 159 159 A K S - 0 0 68 0, 0.0 3,-1.5 0, 0.0 -6,-0.1 -0.401 26.2-125.0 -70.8 148.4 77.1 -2.6 14.1 162 162 A E G > S+ 0 0 79 1,-0.3 3,-2.6 2,-0.2 4,-0.3 0.809 106.3 71.0 -64.0 -31.5 73.7 -3.3 12.5 163 163 A T G > S+ 0 0 81 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.698 84.1 72.2 -58.5 -18.4 74.8 -6.8 11.6 164 164 A D G < S+ 0 0 62 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.530 88.8 60.7 -74.0 -7.0 74.6 -7.6 15.3 165 165 A L G < S+ 0 0 5 -3,-2.6 2,-0.3 2,-0.1 -1,-0.2 0.509 88.8 89.7 -93.6 -8.7 70.8 -7.4 15.0 166 166 A E S < S- 0 0 97 -3,-1.1 2,-0.1 -4,-0.3 -75,-0.0 -0.713 91.0-103.4 -87.6 139.0 70.9 -10.3 12.5 167 167 A F - 0 0 61 -2,-0.3 2,-0.5 1,-0.1 -2,-0.1 -0.366 31.1-147.2 -63.5 136.7 70.6 -13.8 13.9 168 168 A K - 0 0 126 -4,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 -0.927 18.1-119.3-108.3 128.3 73.8 -15.8 14.1 169 169 A M - 0 0 91 -2,-0.5 6,-0.1 1,-0.1 5,-0.0 -0.376 22.8-118.8 -64.7 141.9 73.8 -19.5 13.6 170 170 A P - 0 0 56 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.427 45.6-116.1 -65.9 1.4 75.1 -21.6 16.6 171 171 A A S S+ 0 0 100 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.798 107.3 63.4 65.8 33.1 77.8 -23.0 14.4 172 172 A D S S- 0 0 101 2,-0.0 -1,-0.1 0, 0.0 3,-0.1 0.158 111.3-112.6-141.8 -14.7 76.8 -26.7 14.5 173 173 A G + 0 0 23 1,-0.2 2,-0.9 2,-0.0 -4,-0.0 0.442 67.5 144.8 95.9 5.4 73.5 -25.9 12.7 174 174 A R + 0 0 86 1,-0.2 -1,-0.2 3,-0.0 493,-0.0 -0.657 16.5 166.3 -83.7 103.4 71.3 -26.8 15.8 175 175 A I > + 0 0 0 -2,-0.9 3,-2.1 488,-0.1 5,-0.4 0.703 50.6 99.2 -87.9 -20.6 68.3 -24.5 16.0 176 176 A W T 3 S+ 0 0 4 1,-0.3 623,-0.2 487,-0.2 624,-0.2 -0.512 96.8 15.6 -60.4 127.9 66.5 -26.7 18.6 177 177 A G T 3 S+ 0 0 32 622,-2.3 -1,-0.3 1,-0.3 623,-0.2 0.375 111.1 113.1 86.0 -3.2 67.2 -25.0 21.9 178 178 A S B < S-g 800 0D 15 -3,-2.1 623,-2.7 621,-0.6 624,-0.5 -0.145 79.9-111.9 -93.9-174.0 68.3 -21.8 20.2 179 179 A K + 0 0 100 622,-0.2 -83,-0.1 621,-0.2 3,-0.1 -0.031 55.9 156.2-106.3 24.9 67.0 -18.2 19.8 180 180 A Y - 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0 0 22 -6,-0.5 2,-0.5 -5,-0.1 -1,-0.2 -0.802 49.3-154.2 -99.0 135.0 47.5 -9.6 55.9 890 890 A R - 0 0 19 -2,-0.4 2,-0.6 -3,-0.1 -9,-0.1 -0.916 5.3-150.0-105.7 122.0 46.2 -12.4 53.7 891 891 A I + 0 0 8 -2,-0.5 3,-0.1 -11,-0.2 5,-0.1 -0.824 17.5 176.3 -84.5 117.8 43.9 -11.7 50.8 892 892 A Y + 0 0 96 -2,-0.6 -533,-2.3 1,-0.2 2,-0.6 0.715 66.5 55.7 -92.0 -26.2 41.7 -14.7 50.3 893 893 A R B S-t 359 0H 106 -535,-0.2 -1,-0.2 2,-0.1 -533,-0.2 -0.940 94.7-100.5-119.7 113.1 39.5 -13.3 47.5 894 894 A L S S+ 0 0 6 -535,-2.5 -75,-0.1 -2,-0.6 -74,-0.1 -0.426 89.2 49.0 -75.5 149.6 41.2 -12.1 44.3 895 895 A P S S- 0 0 3 0, 0.0 2,-2.0 0, 0.0 -75,-0.3 0.598 70.3-139.9 -89.1 165.1 41.9 -9.6 43.2 896 896 A A - 0 0 3 -77,-3.4 -112,-0.3 -2,-0.1 -2,-0.1 -0.508 29.1-169.7 -81.0 70.4 43.8 -7.7 46.0 897 897 A Y > - 0 0 79 -2,-2.0 4,-2.9 1,-0.1 5,-0.2 -0.310 31.7-116.0 -55.2 144.1 42.3 -4.3 45.3 898 898 A P H > S+ 0 0 40 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.901 117.1 48.1 -50.6 -47.9 44.0 -1.4 47.2 899 899 A E H > S+ 0 0 133 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.925 111.8 50.2 -59.6 -46.1 40.8 -0.7 49.2 900 900 A K H > S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.914 113.1 45.7 -56.9 -47.7 40.4 -4.4 50.0 901 901 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.929 112.0 52.3 -61.0 -46.9 44.0 -4.5 51.2 902 902 A L H X S+ 0 0 37 -4,-3.2 4,-1.8 -121,-0.3 -2,-0.2 0.902 106.7 53.3 -54.3 -44.4 43.6 -1.3 53.1 903 903 A E H < S+ 0 0 116 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.873 112.9 43.3 -61.4 -38.9 40.5 -2.7 54.9 904 904 A A H >< S+ 0 0 33 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.882 110.5 56.4 -71.9 -40.8 42.5 -5.8 55.9 905 905 A L H 3< S+ 0 0 45 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.829 115.0 37.7 -56.7 -35.7 45.5 -3.6 56.9 906 906 A K T 3< 0 0 146 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.357 360.0 360.0-104.6 2.8 43.3 -1.6 59.3 907 907 A A < 0 0 144 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.849 360.0 360.0 -58.1 360.0 41.1 -4.4 60.7