==== 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 20-JUL-04 1VLB . COMPND 2 MOLECULE: ALDEHYDE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR J.M.REBELO,J.M.DIAS,R.HUBER,J.J.G.MOURA,M.J.ROMAO . 907 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 15.0 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 . 69 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 24.0 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 2 2 1 2 2 2 1 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 0 2 0 0 0 1 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 . 6 3 0 5 0 2 2 1 2 1 0 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 0 183 0, 0.0 2,-0.4 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 148.1 33.5 17.0 3.1 2 2 A I E -A 17 0A 79 15,-2.7 15,-2.4 2,-0.0 2,-0.4 -0.991 360.0-128.8-131.5 146.0 36.9 18.7 3.0 3 3 A Q E -A 16 0A 102 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.775 27.1-174.4 -84.0 132.2 40.0 18.2 0.8 4 4 A K E -A 15 0A 16 11,-3.0 11,-2.6 -2,-0.4 2,-0.7 -0.955 12.4-160.6-131.7 114.6 43.2 17.7 2.9 5 5 A V E +A 14 0A 55 -2,-0.4 65,-2.6 9,-0.2 2,-0.2 -0.885 33.6 146.5 -96.5 114.7 46.5 17.4 1.2 6 6 A I E -A 13 0A 2 7,-2.3 7,-3.1 -2,-0.7 2,-0.5 -0.714 47.9-107.0-130.5-176.8 49.0 15.8 3.6 7 7 A T E -Ab 12 72A 29 64,-2.8 66,-3.0 5,-0.3 2,-0.5 -0.978 29.0-173.4-119.4 125.5 52.0 13.4 3.5 8 8 A V E > S-Ab 11 73A 4 3,-2.5 3,-2.0 -2,-0.5 66,-0.2 -0.978 74.1 -16.5-119.4 122.1 51.5 9.8 4.7 9 9 A N T 3 S- 0 0 38 64,-3.4 -1,-0.2 -2,-0.5 65,-0.1 0.895 130.6 -51.8 53.2 36.6 54.6 7.6 5.0 10 10 A G T 3 S+ 0 0 63 63,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.450 117.9 106.2 87.0 -6.1 56.5 10.0 2.9 11 11 A I E < S-A 8 0A 107 -3,-2.0 -3,-2.5 2,-0.0 -1,-0.2 -0.933 73.6-114.2-116.7 128.5 54.0 10.2 0.0 12 12 A E E -A 7 0A 147 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.3 -0.367 32.6-162.5 -55.9 130.0 51.7 13.1 -0.7 13 13 A Q E -A 6 0A 55 -7,-3.1 -7,-2.3 -2,-0.1 2,-1.1 -0.989 16.1-151.5-120.7 125.1 48.1 12.1 -0.3 14 14 A N E -A 5 0A 91 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.789 32.1-167.4 -91.2 92.3 45.2 14.1 -1.8 15 15 A L E -A 4 0A 6 -11,-2.6 -11,-3.0 -2,-1.1 2,-0.5 -0.616 23.1-165.5 -96.2 142.2 42.6 13.1 0.9 16 16 A F E +A 3 0A 92 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.984 33.9 154.1-123.4 111.7 38.8 13.7 0.7 17 17 A V E -A 2 0A 1 -15,-2.4 -15,-2.7 -2,-0.5 2,-0.4 -0.908 51.0-107.2-138.7 159.2 37.4 13.2 4.2 18 18 A D > - 0 0 94 -2,-0.3 3,-1.6 -17,-0.2 46,-0.3 -0.790 33.9-131.4 -80.4 135.6 34.6 14.0 6.5 19 19 A A T 3 S+ 0 0 36 -2,-0.4 46,-2.2 1,-0.3 47,-0.2 0.775 108.3 50.8 -55.5 -33.0 36.0 16.4 9.2 20 20 A E T 3 S+ 0 0 92 44,-0.2 -1,-0.3 43,-0.2 2,-0.0 0.477 85.4 115.0 -87.2 -7.4 34.4 14.2 11.8 21 21 A A S < S- 0 0 23 -3,-1.6 43,-2.5 42,-0.1 2,-0.3 -0.287 71.2-113.5 -65.1 152.0 35.9 11.0 10.5 22 22 A L B > -E 63 0B 51 41,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.635 14.8-131.6 -85.3 139.5 38.4 9.1 12.7 23 23 A L H > S+ 0 0 1 39,-3.1 4,-3.1 36,-0.6 5,-0.3 0.836 106.4 60.6 -61.2 -32.8 41.9 8.9 11.4 24 24 A S H > S+ 0 0 3 35,-1.6 4,-2.5 38,-0.3 5,-0.3 0.924 108.0 44.0 -59.8 -45.9 41.9 5.2 12.0 25 25 A D H >>S+ 0 0 57 -3,-0.4 4,-2.5 34,-0.2 5,-1.1 0.881 113.6 50.9 -66.5 -40.7 39.0 4.7 9.7 26 26 A V H X>S+ 0 0 0 -4,-2.2 5,-1.8 3,-0.2 4,-0.6 0.947 114.6 42.4 -62.2 -45.3 40.6 7.0 7.1 27 27 A L H <5S+ 0 0 0 -4,-3.1 6,-2.9 3,-0.2 4,-0.2 0.947 123.0 37.4 -69.2 -43.1 43.9 5.3 7.1 28 28 A R H X5S+ 0 0 16 -4,-2.5 4,-0.5 -5,-0.3 6,-0.2 0.950 130.1 25.4 -71.7 -52.7 42.5 1.7 7.2 29 29 A Q H <5S+ 0 0 111 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.918 129.6 34.8 -84.8 -43.9 39.5 2.1 4.9 30 30 A Q T < + 0 0 26 -6,-2.9 3,-2.0 1,-0.2 -1,-0.2 -0.483 9.9 162.5 -92.2 71.9 46.8 1.0 5.6 34 34 A T T 3 + 0 0 5 -2,-1.9 -1,-0.2 1,-0.3 4,-0.1 0.526 57.4 84.8 -76.6 -0.8 45.6 -2.0 7.5 35 35 A G T 3 + 0 0 1 -3,-0.1 2,-1.0 155,-0.1 -1,-0.3 0.625 69.8 86.8 -70.5 -9.7 48.9 -2.0 9.4 36 36 A V S < S- 0 0 4 -3,-2.0 2,-0.3 -12,-0.1 12,-0.2 -0.835 81.6-152.5 -83.3 101.5 47.2 0.6 11.7 37 37 A K - 0 0 1 10,-1.0 2,-0.5 -2,-1.0 -2,-0.1 -0.591 9.3-154.2 -83.8 144.3 45.5 -2.0 14.0 38 38 A V + 0 0 18 -2,-0.3 159,-0.1 1,-0.1 -2,-0.0 -0.971 29.8 145.0-123.1 123.0 42.3 -1.2 15.8 39 39 A G S S+ 0 0 2 -2,-0.5 411,-0.2 330,-0.1 -1,-0.1 0.591 74.0 14.0-114.1 -91.0 41.4 -3.0 19.0 40 40 A C S S- 0 0 4 409,-0.1 410,-0.4 1,-0.1 411,-0.2 0.719 73.4-151.1 -69.5 -29.5 39.6 -1.1 21.8 41 41 A E S S+ 0 0 70 1,-0.1 -1,-0.1 408,-0.1 -3,-0.0 0.629 77.0 89.7 62.7 16.5 38.4 1.9 19.7 42 42 A Q S S- 0 0 93 19,-0.0 -1,-0.1 408,-0.0 19,-0.0 0.164 105.5-102.6-129.5 13.2 38.5 3.9 22.9 43 43 A G S S+ 0 0 9 1,-0.0 15,-0.1 91,-0.0 18,-0.0 0.635 94.4 105.6 79.9 14.4 42.1 5.3 23.1 44 44 A Q S S+ 0 0 45 1,-0.1 -1,-0.0 92,-0.0 90,-0.0 0.480 72.9 41.1-107.0 -11.0 43.1 2.7 25.7 45 45 A C S S- 0 0 5 90,-0.1 91,-2.7 91,-0.0 -1,-0.1 0.584 80.0-138.7-123.6 -15.0 45.3 0.2 23.9 46 46 A G > + 0 0 1 89,-0.2 3,-2.1 1,-0.1 89,-0.1 0.457 62.4 126.9 71.9 -0.4 47.7 2.0 21.5 47 47 A A T 3 S+ 0 0 2 1,-0.3 -10,-1.0 87,-0.2 59,-0.2 0.857 75.6 49.3 -58.6 -30.6 47.3 -0.5 18.7 48 48 A C T 3 S+ 0 0 4 -12,-0.2 11,-1.8 57,-0.1 -1,-0.3 0.084 80.5 149.3 -94.8 21.4 46.4 2.3 16.3 49 49 A S E < +C 58 0A 4 -3,-2.1 2,-0.3 9,-0.2 9,-0.2 -0.289 16.2 169.2 -58.7 133.7 49.3 4.5 17.3 50 50 A V E -C 57 0A 0 7,-2.4 7,-2.7 25,-0.1 2,-0.6 -0.948 36.9-113.2-135.2 162.0 50.5 6.7 14.4 51 51 A I E -CD 56 74A 10 23,-2.4 23,-2.1 -2,-0.3 2,-0.5 -0.877 31.6-176.0 -97.4 125.6 53.0 9.7 14.3 52 52 A L E > S-CD 55 73A 17 3,-3.2 3,-2.2 -2,-0.6 21,-0.2 -0.980 72.0 -27.4-120.7 111.8 51.2 12.9 13.5 53 53 A D T 3 S- 0 0 83 19,-2.8 -1,-0.1 -2,-0.5 20,-0.1 0.887 128.6 -45.1 44.6 48.9 53.6 15.9 13.1 54 54 A G T 3 S+ 0 0 43 18,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.308 119.0 105.8 85.6 -5.8 56.1 14.4 15.5 55 55 A K E < -C 52 0A 135 -3,-2.2 -3,-3.2 2,-0.0 2,-0.6 -0.876 69.1-127.7-108.6 138.3 53.6 13.3 18.1 56 56 A V E +C 51 0A 12 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.758 41.3 171.2 -80.0 119.0 52.4 9.7 18.8 57 57 A V E -C 50 0A 32 -7,-2.7 -7,-2.4 -2,-0.6 2,-0.7 -0.891 39.8-113.4-124.6 155.3 48.6 9.7 18.8 58 58 A R E > -C 49 0A 58 -2,-0.3 3,-1.8 -9,-0.2 -9,-0.2 -0.814 23.2-154.1 -87.9 117.6 46.0 7.1 18.8 59 59 A A G > S+ 0 0 0 -11,-1.8 -35,-1.6 -2,-0.7 3,-1.3 0.755 87.7 67.8 -64.2 -24.6 44.3 7.3 15.4 60 60 A C G 3 S+ 0 0 7 1,-0.3 -1,-0.3 -37,-0.2 -38,-0.0 0.644 109.2 35.8 -73.3 -15.6 41.0 5.9 16.8 61 61 A V G < S+ 0 0 81 -3,-1.8 2,-0.6 2,-0.1 -1,-0.3 0.035 97.6 96.9-120.5 23.9 40.4 9.0 18.9 62 62 A T < - 0 0 16 -3,-1.3 -39,-3.1 -5,-0.1 -38,-0.3 -0.945 62.5-151.5-116.9 111.8 41.8 11.5 16.4 63 63 A K B > -E 22 0B 89 -2,-0.6 3,-2.4 -41,-0.2 4,-0.2 -0.534 25.1-116.4 -83.7 153.1 39.3 13.2 14.2 64 64 A M G > S+ 0 0 0 -43,-2.5 3,-1.9 -46,-0.3 -44,-0.2 0.796 111.7 69.9 -61.4 -25.2 40.3 14.5 10.7 65 65 A K G 3 S+ 0 0 98 -46,-2.2 -1,-0.3 1,-0.3 -45,-0.1 0.721 94.4 57.8 -63.8 -15.5 39.7 18.1 11.8 66 66 A R G < S+ 0 0 163 -3,-2.4 2,-0.8 -47,-0.2 -1,-0.3 0.511 87.3 87.4 -90.8 -5.0 42.7 17.7 14.0 67 67 A V S < S- 0 0 0 -3,-1.9 3,-0.1 -4,-0.2 2,-0.1 -0.858 77.3-140.2 -98.0 111.6 45.0 16.9 11.1 68 68 A A > - 0 0 54 -2,-0.8 3,-2.2 1,-0.1 -2,-0.1 -0.344 25.9 -93.9 -72.3 153.3 46.3 20.0 9.6 69 69 A D T 3 S+ 0 0 107 1,-0.3 -63,-0.2 -63,-0.1 -1,-0.1 -0.388 118.6 24.6 -49.4 128.7 46.7 20.7 5.9 70 70 A G T 3 S+ 0 0 49 -65,-2.6 -1,-0.3 1,-0.2 -64,-0.2 0.485 90.7 155.1 90.8 -4.6 50.3 19.7 5.2 71 71 A A < - 0 0 2 -3,-2.2 -64,-2.8 -66,-0.1 2,-0.5 -0.163 39.9-130.0 -58.1 155.0 50.5 17.3 8.1 72 72 A Q E -b 7 0A 99 -66,-0.2 -19,-2.8 -64,-0.0 2,-0.4 -0.959 25.0-174.9-107.4 124.7 53.0 14.4 8.2 73 73 A I E -bD 8 52A 1 -66,-3.0 -64,-3.4 -2,-0.5 -63,-0.5 -0.970 6.0-169.2-119.5 140.8 51.7 11.0 9.2 74 74 A T E + D 0 51A 30 -23,-2.1 -23,-2.4 -2,-0.4 2,-0.2 -0.993 8.0 175.1-126.6 126.4 53.7 7.8 9.7 75 75 A T >> - 0 0 0 -2,-0.4 3,-1.9 -25,-0.2 4,-0.9 -0.619 53.6 -86.7-113.5 179.5 52.2 4.4 10.1 76 76 A I H >> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 3,-1.1 0.880 126.6 63.3 -58.1 -32.9 53.9 1.0 10.4 77 77 A E H 34 S+ 0 0 42 1,-0.3 -1,-0.3 2,-0.2 114,-0.0 0.779 105.8 45.7 -61.4 -24.6 54.0 0.8 6.6 78 78 A G H <4 S+ 0 0 30 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.602 103.0 62.5 -97.2 -6.8 56.2 3.9 6.6 79 79 A V H << S- 0 0 12 -3,-1.1 2,-0.3 -4,-0.9 -2,-0.2 0.906 124.3 -48.3 -77.5 -42.2 58.5 2.7 9.4 80 80 A G < - 0 0 1 -4,-1.8 -1,-0.3 5,-0.1 5,-0.2 -0.952 47.8-135.4 178.0 167.6 59.6 -0.2 7.2 81 81 A Q B > -F 84 0C 76 3,-1.2 3,-2.9 -2,-0.3 110,-0.1 -0.816 44.6 -83.2-130.8 163.0 58.6 -3.1 4.9 82 82 A P T 3 S+ 0 0 53 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.887 128.3 34.7 -49.9 -40.6 59.6 -6.7 4.6 83 83 A E T 3 S+ 0 0 204 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.573 125.8 43.9-103.9 34.9 62.6 -6.3 2.5 84 84 A N B < S+F 81 0C 103 -3,-2.9 -3,-1.2 2,-0.0 -1,-0.2 -0.401 77.2 179.6-155.7 59.4 63.5 -3.0 4.1 85 85 A L - 0 0 32 -3,-0.5 -5,-0.1 -5,-0.2 105,-0.0 -0.468 24.3-130.3 -74.2 138.4 63.1 -3.4 7.9 86 86 A H >> - 0 0 41 -2,-0.2 4,-2.6 1,-0.1 3,-0.7 -0.449 33.4-103.4 -70.9 153.5 63.8 -0.5 10.2 87 87 A P H 3> S+ 0 0 19 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.857 123.2 55.5 -49.4 -35.8 66.1 -1.3 13.2 88 88 A L H 3> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.872 108.9 46.9 -66.4 -36.0 63.0 -1.4 15.5 89 89 A Q H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.919 113.3 47.9 -69.7 -43.0 61.4 -4.0 13.3 90 90 A K H X S+ 0 0 42 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.915 112.5 49.4 -62.4 -41.0 64.6 -6.1 13.2 91 91 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 6,-0.2 0.890 107.5 55.4 -65.1 -38.0 65.0 -5.9 16.9 92 92 A W H X>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 4,-0.7 0.944 110.4 44.7 -58.8 -45.8 61.4 -6.9 17.4 93 93 A V H ><5S+ 0 0 18 -4,-2.2 3,-0.7 1,-0.2 89,-0.3 0.915 114.5 48.5 -63.0 -43.4 61.9 -10.0 15.4 94 94 A L H 3<5S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.866 115.2 44.4 -65.3 -35.4 65.2 -10.9 17.1 95 95 A H H 3<5S- 0 0 47 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.432 109.5-120.8 -94.1 -1.1 63.8 -10.4 20.6 96 96 A G T <<5 + 0 0 6 -3,-0.7 -3,-0.2 -4,-0.7 -4,-0.1 0.787 60.8 147.7 71.3 29.3 60.6 -12.3 19.9 97 97 A G < + 0 0 1 -5,-2.4 2,-0.9 -6,-0.2 4,-0.2 0.712 51.8 76.0 -76.5 -17.5 58.3 -9.3 20.6 98 98 A A + 0 0 1 -6,-0.5 84,-0.1 1,-0.1 -1,-0.1 -0.826 48.9 146.5 -92.3 104.7 55.7 -10.3 18.1 99 99 A Q S S- 0 0 5 -2,-0.9 -1,-0.1 554,-0.1 556,-0.1 0.680 93.7 -2.5 -92.1 -93.1 53.7 -13.2 19.6 100 100 A C S S- 0 0 8 1,-0.1 -2,-0.1 318,-0.1 319,-0.1 0.840 96.2-146.4 -65.6 -26.9 50.1 -12.6 18.3 101 101 A G > + 0 0 2 -4,-0.2 3,-1.0 553,-0.1 90,-0.1 0.396 62.5 119.5 86.0 -7.8 51.6 -9.5 16.7 102 102 A F T 3 S+ 0 0 6 1,-0.3 4,-0.3 315,-0.2 -65,-0.2 0.847 80.5 39.0 -69.8 -31.3 48.5 -7.4 17.0 103 103 A C T 3> S+ 0 0 9 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 0.487 93.7 91.7 -85.9 -7.7 50.1 -4.7 19.2 104 104 A S H <> S+ 0 0 0 -3,-1.0 4,-2.6 1,-0.2 5,-0.2 0.899 83.7 47.7 -69.1 -45.4 53.5 -4.8 17.3 105 105 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.940 114.9 48.0 -53.3 -47.9 52.7 -2.0 14.7 106 106 A G H > S+ 0 0 0 -4,-0.3 4,-2.3 -59,-0.2 -2,-0.2 0.923 113.9 45.4 -64.1 -46.0 51.5 0.3 17.4 107 107 A F H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.881 114.1 49.4 -63.8 -37.3 54.4 -0.4 19.7 108 108 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.904 113.5 43.9 -74.2 -38.8 57.0 0.0 16.9 109 109 A V H X S+ 0 0 2 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.924 115.2 50.5 -65.6 -43.6 55.5 3.3 15.6 110 110 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.934 110.2 50.3 -59.6 -44.6 55.2 4.5 19.2 111 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.849 105.8 55.0 -64.9 -36.4 58.9 3.5 19.9 112 112 A K H X S+ 0 0 46 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.946 107.3 51.0 -62.6 -40.8 60.0 5.4 16.8 113 113 A G H < S+ 0 0 2 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.903 111.4 49.3 -62.2 -35.0 58.3 8.5 18.2 114 114 A L H >X S+ 0 0 4 -4,-1.9 4,-2.6 1,-0.2 3,-2.2 0.969 112.0 45.2 -64.2 -53.7 60.2 7.9 21.5 115 115 A L H 3< S+ 0 0 15 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.775 106.8 60.7 -66.7 -23.3 63.6 7.5 19.8 116 116 A D T 3< S+ 0 0 100 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.596 118.1 30.4 -75.9 -10.4 62.9 10.5 17.7 117 117 A T T <4 S+ 0 0 84 -3,-2.2 2,-0.3 -4,-0.4 -2,-0.2 0.638 134.2 27.1-116.5 -24.6 62.6 12.5 20.9 118 118 A N < - 0 0 55 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.882 65.3-174.4-141.4 95.1 65.0 10.6 23.2 119 119 A A S S+ 0 0 52 -2,-0.3 38,-0.1 1,-0.3 -4,-0.1 0.798 81.9 33.8 -66.2 -30.6 67.7 8.9 21.2 120 120 A D S S+ 0 0 95 37,-0.0 -1,-0.3 34,-0.0 30,-0.1 -0.489 82.4 177.8-129.0 63.0 69.3 7.0 24.2 121 121 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 32,-0.1 -0.269 27.2-123.8 -70.7 152.2 66.5 6.2 26.6 122 122 A S > - 0 0 52 1,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.497 33.6-106.1 -77.5 159.8 66.9 4.3 29.8 123 123 A R H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 126.1 54.0 -55.2 -38.4 64.7 1.2 30.2 124 124 A E H > S+ 0 0 112 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.908 105.2 53.4 -62.2 -40.0 62.7 3.3 32.6 125 125 A D H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 108.0 50.6 -59.0 -41.2 62.2 5.9 29.9 126 126 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.946 112.4 46.1 -62.7 -48.0 61.0 3.2 27.6 127 127 A R H X S+ 0 0 22 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.927 111.2 51.8 -63.2 -41.5 58.4 2.0 30.2 128 128 A D H X S+ 0 0 63 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.908 110.5 50.1 -61.2 -35.9 57.3 5.5 31.0 129 129 A W H X S+ 0 0 42 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.939 110.9 45.8 -69.3 -46.9 56.7 6.2 27.3 130 130 A F H <>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 4,-0.3 0.790 113.0 53.6 -66.8 -25.7 54.7 3.1 26.6 131 131 A Q H ><5S+ 0 0 61 -4,-2.0 3,-1.3 -5,-0.3 -2,-0.2 0.965 111.5 43.1 -70.5 -47.4 52.7 3.8 29.8 132 132 A K H 3<5S+ 0 0 153 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.876 116.7 46.9 -68.0 -33.1 51.8 7.4 28.7 133 133 A H T 3<5S- 0 0 16 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.388 108.3-127.1 -87.8 2.5 51.0 6.3 25.2 134 134 A R T < 5 + 0 0 76 -3,-1.3 2,-0.9 -4,-0.3 -3,-0.2 0.808 40.0 175.0 58.9 37.5 48.9 3.4 26.5 135 135 A N < - 0 0 1 -5,-2.0 2,-0.4 -6,-0.2 706,-0.3 -0.676 14.2-164.9 -78.6 108.3 50.7 0.8 24.4 136 136 A A - 0 0 1 -91,-2.7 2,-0.4 -2,-0.9 -29,-0.1 -0.817 16.0-179.8-102.0 137.5 49.0 -2.4 25.6 137 137 A C - 0 0 7 -2,-0.4 4,-0.2 702,-0.3 -2,-0.0 -0.997 13.1-179.3-135.6 132.2 50.3 -6.0 25.1 138 138 A R S S+ 0 0 11 -2,-0.4 676,-0.1 2,-0.1 -1,-0.1 0.563 80.5 49.1-101.2 -11.2 48.6 -9.1 26.4 139 139 A C S S+ 0 0 7 -42,-0.1 671,-0.3 1,-0.1 672,-0.2 0.809 108.4 39.0 -94.6 -38.5 51.0 -11.7 25.1 140 140 A T S S- 0 0 0 670,-0.2 3,-0.2 669,-0.1 670,-0.2 0.569 84.4-125.3-103.5 -15.4 54.6 -10.6 26.0 141 141 A G - 0 0 3 1,-0.2 2,-1.6 -4,-0.2 -3,-0.1 0.645 53.2 -98.9 70.7 14.0 54.7 -9.2 29.5 142 142 A Y S >> S+ 0 0 2 1,-0.2 4,-2.0 -45,-0.1 3,-1.0 -0.097 104.1 101.6 68.3 -34.6 56.4 -6.1 27.9 143 143 A K H 3> S+ 0 0 35 -2,-1.6 4,-2.9 1,-0.3 5,-0.2 0.889 81.3 49.7 -52.6 -42.5 60.0 -7.1 28.8 144 144 A P H 3> S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.830 109.8 53.1 -64.0 -28.9 60.9 -8.3 25.3 145 145 A L H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.913 110.3 45.7 -68.9 -45.1 59.5 -5.1 23.8 146 146 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.929 111.1 54.0 -64.7 -43.7 61.7 -3.0 26.0 147 147 A D H X S+ 0 0 43 -4,-2.9 4,-2.2 -5,-0.3 -2,-0.2 0.941 109.5 48.8 -53.2 -44.9 64.6 -5.3 25.2 148 148 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.939 109.6 50.8 -66.3 -41.7 63.9 -4.6 21.5 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.927 110.6 49.0 -61.6 -44.4 63.7 -0.9 21.9 150 150 A M H X S+ 0 0 56 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.911 112.0 48.4 -62.2 -40.2 67.0 -0.7 23.7 151 151 A D H X S+ 0 0 43 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.931 112.2 48.2 -64.4 -45.1 68.8 -2.8 21.1 152 152 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.898 108.8 54.7 -62.4 -41.0 67.4 -0.8 18.2 153 153 A A H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 6,-0.3 0.908 104.8 53.2 -58.9 -44.9 68.4 2.5 19.9 154 154 A A H <>S+ 0 0 13 -4,-1.9 5,-1.9 1,-0.2 6,-1.1 0.897 112.3 45.4 -58.9 -39.8 72.0 1.3 20.3 155 155 A V H ><5S+ 0 0 13 -4,-1.7 3,-2.1 4,-0.2 -2,-0.2 0.943 111.8 49.3 -69.2 -45.6 72.1 0.6 16.5 156 156 A I H 3<5S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.896 108.9 57.0 -63.4 -32.7 70.5 3.8 15.5 157 157 A N T 3<5S- 0 0 49 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.552 114.1-117.8 -73.7 -6.5 73.0 5.5 17.8 158 158 A G T < 5S+ 0 0 65 -3,-2.1 -3,-0.2 2,-0.3 -2,-0.1 0.552 84.1 119.4 79.6 4.8 76.0 4.0 15.9 159 159 A K S - 0 0 66 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.435 26.9-130.6 -71.6 143.1 76.3 -2.6 13.9 162 162 A E G > S+ 0 0 75 1,-0.3 3,-2.7 2,-0.2 4,-0.1 0.815 104.6 72.4 -61.3 -30.3 72.8 -3.2 12.5 163 163 A T G > S+ 0 0 79 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.703 81.9 71.4 -62.0 -16.0 73.9 -6.7 11.6 164 164 A D G < S+ 0 0 65 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.543 88.5 64.0 -77.1 -2.6 73.8 -7.5 15.3 165 165 A L G < S+ 0 0 4 -3,-2.7 2,-0.4 -4,-0.1 -1,-0.3 0.331 88.3 86.2 -90.9 1.5 70.0 -7.3 14.8 166 166 A E S < S- 0 0 88 -3,-1.4 -75,-0.0 -4,-0.1 -76,-0.0 -0.875 90.3-105.7-108.7 138.3 70.1 -10.2 12.5 167 167 A F - 0 0 58 -2,-0.4 2,-0.6 1,-0.1 -2,-0.1 -0.300 28.0-144.2 -67.3 141.4 69.9 -13.7 13.9 168 168 A K - 0 0 143 -4,-0.1 -1,-0.1 2,-0.0 -4,-0.0 -0.901 17.9-123.7-107.8 119.9 73.1 -15.7 13.8 169 169 A M - 0 0 75 -2,-0.6 6,-0.1 1,-0.2 5,-0.0 -0.358 23.2-119.4 -61.6 132.2 72.8 -19.4 13.2 170 170 A P - 0 0 58 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.580 43.0-120.3 -53.9 -9.4 74.4 -21.4 15.9 171 171 A A S S+ 0 0 88 1,-0.1 -3,-0.0 3,-0.0 0, 0.0 0.921 106.2 64.5 66.8 89.9 76.8 -22.9 13.4 172 172 A D S S- 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.331 112.0-118.3 129.1 -29.1 76.1 -26.6 13.7 173 173 A G + 0 0 25 1,-0.2 2,-0.5 2,-0.0 -4,-0.0 0.501 62.4 148.4 76.2 6.7 72.8 -25.5 12.3 174 174 A R + 0 0 80 1,-0.2 -1,-0.2 -5,-0.0 489,-0.0 -0.584 16.8 171.4 -74.6 124.5 70.6 -26.7 15.3 175 175 A I > + 0 0 1 -2,-0.5 3,-2.2 488,-0.2 5,-0.4 0.711 49.0 102.9-104.9 -16.2 67.6 -24.4 15.7 176 176 A W T 3 S+ 0 0 5 1,-0.3 624,-0.2 487,-0.2 623,-0.2 -0.436 95.8 12.6 -55.9 127.5 65.9 -26.6 18.4 177 177 A G T 3 S+ 0 0 30 622,-2.0 -1,-0.3 621,-0.5 623,-0.2 0.312 111.2 109.5 89.7 -4.5 66.5 -24.9 21.7 178 178 A S S < S- 0 0 18 -3,-2.2 623,-2.0 621,-0.5 624,-0.6 -0.181 81.6-107.6 -95.2-174.1 67.7 -21.7 20.0 179 179 A K + 0 0 100 622,-0.2 -83,-0.1 621,-0.2 621,-0.1 -0.045 55.8 156.5-102.6 28.9 66.4 -18.1 19.6 180 180 A Y - 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