==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-NOV-00 1G8J . COMPND 2 MOLECULE: ARSENITE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR P.J.ELLIS,T.CONRADS,R.HILLE,P.KUHN . 1898 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1247 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 232 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 141 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 209 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 2.2 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 8 5 8 13 2 2 2 1 5 0 2 2 0 1 3 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 3 7 10 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 . 13 9 10 7 5 6 3 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 . 5 0 6 2 0 5 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 6 A R 0 0 152 0, 0.0 2,-0.4 0, 0.0 945,-0.2 0.000 360.0 360.0 360.0 147.8 63.0 -20.2 -44.5 2 7 A I - 0 0 5 943,-2.8 2,-0.6 58,-0.0 58,-0.0 -0.984 360.0-132.6-130.3 138.8 64.1 -19.1 -41.1 3 8 A T - 0 0 42 -2,-0.4 31,-0.0 32,-0.0 32,-0.0 -0.778 23.6-139.9 -92.1 119.1 67.3 -17.2 -39.9 4 9 A L - 0 0 0 -2,-0.6 32,-2.5 32,-0.3 34,-0.1 -0.427 17.6-117.1 -76.6 148.4 69.0 -18.8 -36.9 5 10 A P - 0 0 0 0, 0.0 39,-2.3 0, 0.0 40,-0.4 -0.701 32.1-109.7 -86.1 135.7 70.4 -16.6 -34.1 6 11 A P B > -A 43 0A 24 0, 0.0 3,-2.6 0, 0.0 38,-0.3 -0.228 34.3-105.1 -59.2 155.3 74.2 -16.7 -33.5 7 12 A A T 3 S+ 0 0 60 35,-0.6 36,-0.1 1,-0.3 35,-0.1 0.772 123.0 50.5 -54.6 -26.8 75.2 -18.4 -30.3 8 13 A N T 3 S+ 0 0 143 34,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.326 80.6 140.4 -95.6 9.0 76.0 -15.0 -28.9 9 14 A A < - 0 0 14 -3,-2.6 21,-0.2 1,-0.1 2,-0.2 -0.150 64.5 -99.2 -52.1 142.4 72.7 -13.4 -29.8 10 15 A Q E -B 29 0B 94 19,-1.7 19,-2.4 538,-0.0 2,-0.4 -0.473 44.1-165.0 -64.3 133.2 71.2 -11.1 -27.2 11 16 A R E +B 28 0B 133 17,-0.2 2,-0.3 -2,-0.2 17,-0.2 -0.991 10.6 176.5-128.0 129.7 68.5 -12.9 -25.2 12 17 A T E -B 27 0B 14 15,-1.9 15,-2.3 -2,-0.4 2,-0.3 -0.870 31.7-108.1-126.4 161.4 65.9 -11.3 -22.9 13 18 A N E -B 26 0B 16 -2,-0.3 533,-2.5 13,-0.2 2,-0.3 -0.716 34.6-178.2 -90.3 140.9 63.0 -12.7 -20.9 14 19 A M E -B 25 0B 0 11,-2.5 11,-2.0 -2,-0.3 2,-0.2 -0.962 17.5-150.0-142.8 120.4 59.4 -12.0 -22.1 15 20 A T E -B 24 0B 4 -2,-0.3 9,-0.2 9,-0.2 8,-0.1 -0.616 47.9 -86.8 -82.2 148.9 56.1 -12.9 -20.4 16 21 A C - 0 0 9 7,-2.0 148,-0.1 -2,-0.2 -1,-0.1 -0.301 34.1-136.1 -54.5 140.1 53.3 -13.5 -23.0 17 22 A H S S+ 0 0 5 146,-0.1 147,-1.6 80,-0.1 402,-0.2 0.774 83.1 43.9 -69.2 -26.3 51.6 -10.1 -23.7 18 23 A F S S+ 0 0 5 145,-0.2 401,-0.7 400,-0.1 144,-0.1 0.852 89.8 36.9 -92.2-100.7 48.1 -11.5 -23.5 19 24 A C B > S-E 418 0C 11 399,-0.2 3,-1.9 1,-0.1 399,-0.3 -0.056 73.5-102.4 -69.4 159.5 46.3 -13.9 -21.2 20 25 A I T 3 S+ 0 0 0 397,-2.3 518,-1.1 1,-0.3 400,-0.2 0.667 109.2 75.7 -40.0 -34.1 46.4 -14.6 -17.5 21 26 A V T 3 S- 0 0 1 396,-0.2 -1,-0.3 516,-0.2 518,-0.1 0.903 81.7-157.2 -55.3 -40.8 48.5 -17.7 -17.9 22 27 A G < - 0 0 1 -3,-1.9 2,-0.2 1,-0.1 66,-0.1 0.988 9.7-157.7 60.0 62.5 51.6 -15.6 -18.5 23 28 A C - 0 0 8 -4,-0.2 -7,-2.0 65,-0.1 2,-0.3 -0.459 17.2-112.9 -70.8 140.3 53.6 -18.2 -20.4 24 29 A G E +B 15 0B 0 59,-0.2 59,-2.8 -9,-0.2 2,-0.3 -0.577 39.1 173.4 -82.3 138.6 57.4 -17.6 -20.4 25 30 A Y E -BC 14 82B 1 -11,-2.0 -11,-2.5 57,-0.3 2,-0.4 -0.887 23.8-137.8-135.9 166.4 59.3 -16.7 -23.6 26 31 A H E -BC 13 81B 18 55,-3.0 55,-1.8 -2,-0.3 2,-0.5 -0.935 13.9-148.2-123.0 146.4 62.8 -15.6 -24.7 27 32 A V E -BC 12 80B 0 -15,-2.3 -15,-1.9 -2,-0.4 2,-0.5 -0.982 8.4-159.2-119.7 121.9 63.5 -13.0 -27.2 28 33 A Y E -BC 11 79B 17 51,-3.1 51,-1.7 -2,-0.5 2,-0.4 -0.866 11.7-177.5-101.4 130.6 66.5 -13.3 -29.4 29 34 A K E +BC 10 78B 24 -19,-2.4 -19,-1.7 -2,-0.5 49,-0.2 -0.995 13.7 145.0-132.2 128.9 67.9 -10.2 -31.1 30 35 A W E - C 0 77B 7 47,-2.0 47,-3.2 -2,-0.4 3,-0.1 -0.983 53.5 -70.4-157.4 154.4 70.8 -9.9 -33.5 31 36 A P E > - C 0 76B 63 0, 0.0 3,-1.5 0, 0.0 45,-0.3 -0.097 55.4-104.9 -48.6 140.1 71.8 -7.8 -36.6 32 37 A E T 3 S+ 0 0 54 43,-2.4 3,-0.1 1,-0.2 43,-0.1 -0.424 106.0 28.1 -67.6 144.1 69.9 -8.5 -39.8 33 38 A L T 3 S+ 0 0 145 1,-0.3 2,-0.5 -3,-0.1 -1,-0.2 0.335 93.4 111.1 85.0 -3.9 71.9 -10.5 -42.3 34 39 A E < - 0 0 111 -3,-1.5 2,-0.4 -4,-0.1 -1,-0.3 -0.872 52.8-165.5 -98.0 130.9 74.0 -12.2 -39.6 35 40 A E - 0 0 121 -2,-0.5 -32,-0.0 -3,-0.1 -3,-0.0 -0.965 15.5-132.7-127.3 137.5 73.1 -15.9 -39.3 36 41 A G - 0 0 6 -32,-2.5 -32,-0.3 -2,-0.4 7,-0.2 -0.267 35.6-102.5 -73.7 168.1 73.8 -18.5 -36.7 37 42 A G - 0 0 18 5,-2.6 12,-0.2 2,-0.2 -1,-0.1 -0.543 16.9-123.4 -92.7 162.2 75.2 -21.9 -37.7 38 43 A R S S+ 0 0 81 -2,-0.2 11,-2.3 11,-0.1 12,-0.6 0.738 86.3 94.6 -74.1 -25.5 73.2 -25.2 -38.0 39 44 A A S > S- 0 0 7 9,-0.2 3,-2.1 10,-0.2 4,-0.2 -0.475 89.3-116.6 -66.3 139.0 75.5 -27.0 -35.6 40 45 A P G > S+ 0 0 38 0, 0.0 3,-1.1 0, 0.0 6,-0.4 0.798 113.9 48.2 -46.8 -42.3 74.0 -26.8 -32.1 41 46 A E G 3 S+ 0 0 137 1,-0.2 -34,-0.1 5,-0.1 -2,-0.1 0.613 103.2 67.9 -78.0 -9.0 76.8 -24.8 -30.5 42 47 A Q G < S+ 0 0 103 -3,-2.1 -5,-2.6 5,-0.1 -35,-0.6 0.384 98.0 51.5 -90.4 1.9 76.6 -22.5 -33.4 43 48 A N B X S-A 6 0A 4 -3,-1.1 3,-1.8 -37,-0.3 -36,-0.2 -0.993 81.9-119.3-140.3 148.9 73.1 -21.0 -32.6 44 49 A A T 3 S+ 0 0 26 -39,-2.3 -37,-0.1 -2,-0.3 -1,-0.0 0.654 111.3 61.9 -59.0 -14.7 71.5 -19.4 -29.5 45 50 A L T 3 S- 0 0 31 -40,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.705 94.6-139.9 -85.2 -20.8 68.9 -22.2 -29.5 46 51 A G < + 0 0 49 -3,-1.8 2,-0.3 -6,-0.4 -5,-0.1 0.837 56.5 136.2 65.2 30.0 71.4 -25.0 -29.0 47 52 A L - 0 0 30 -7,-0.2 2,-1.1 -8,-0.2 -1,-0.3 -0.856 61.6-117.5-112.3 149.2 69.4 -27.1 -31.5 48 53 A D > + 0 0 35 -2,-0.3 3,-0.7 1,-0.1 -9,-0.2 -0.703 35.8 167.7 -90.6 95.1 70.8 -29.2 -34.3 49 54 A F T 3 + 0 0 10 -11,-2.3 896,-0.3 -2,-1.1 -10,-0.2 0.244 59.1 88.4 -89.7 12.0 69.5 -27.8 -37.6 50 55 A R T 3 S+ 0 0 139 -12,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.788 101.3 23.2 -77.7 -27.9 71.9 -29.9 -39.7 51 56 A K S < S- 0 0 146 -3,-0.7 -1,-0.1 -13,-0.2 -3,-0.0 -0.947 108.5 -68.1-135.8 157.9 69.3 -32.6 -39.7 52 57 A Q - 0 0 33 -2,-0.3 892,-0.2 1,-0.1 891,-0.1 -0.029 53.7-123.4 -41.2 135.7 65.5 -32.8 -39.2 53 58 A L - 0 0 12 890,-1.8 -1,-0.1 889,-0.1 3,-0.1 -0.616 26.0-115.4 -84.4 149.5 64.5 -32.0 -35.7 54 59 A P > - 0 0 78 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.338 46.8 -72.2 -78.0 167.9 62.5 -34.6 -33.8 55 60 A P T 3 S+ 0 0 78 0, 0.0 825,-0.2 0, 0.0 826,-0.0 -0.296 117.0 14.2 -62.7 143.0 58.9 -34.0 -32.6 56 61 A L T 3 S+ 0 0 92 823,-3.8 824,-0.1 2,-0.2 3,-0.1 0.470 89.3 118.3 73.6 4.2 58.4 -31.6 -29.7 57 62 A A S < S- 0 0 21 -3,-1.5 2,-0.3 822,-0.2 823,-0.1 0.808 81.3 -5.5 -70.8 -30.4 62.0 -30.3 -30.0 58 63 A S - 0 0 18 -4,-0.3 2,-0.6 821,-0.2 -2,-0.2 -0.998 48.2-136.7-161.7 161.2 60.9 -26.8 -30.7 59 64 A T + 0 0 10 -2,-0.3 2,-0.3 23,-0.2 820,-0.1 -0.939 52.4 138.3-120.4 99.3 58.1 -24.3 -31.3 60 65 A L + 0 0 26 -2,-0.6 883,-0.3 817,-0.3 21,-0.1 -0.902 13.7 151.2-152.5 121.5 59.5 -22.2 -34.1 61 66 A T > - 0 0 8 -2,-0.3 3,-2.1 37,-0.2 -2,-0.0 -0.910 58.0 -96.4-141.5 165.7 57.8 -20.8 -37.3 62 67 A P G > S+ 0 0 61 0, 0.0 3,-1.6 0, 0.0 854,-0.0 0.794 121.6 61.9 -53.9 -31.4 58.2 -17.8 -39.5 63 68 A A G 3 S+ 0 0 22 1,-0.3 39,-1.0 38,-0.0 40,-0.2 0.700 96.4 61.3 -70.4 -17.9 55.4 -16.0 -37.6 64 69 A M G < S+ 0 0 2 -3,-2.1 16,-2.3 37,-0.2 2,-0.3 0.253 103.5 59.5 -92.0 12.9 57.6 -16.3 -34.5 65 70 A T E < +D 79 0B 35 -3,-1.6 2,-0.3 14,-0.2 14,-0.2 -0.886 57.0 158.3-133.7 166.9 60.3 -14.1 -36.2 66 71 A N E -D 78 0B 35 12,-1.8 12,-2.7 -2,-0.3 2,-0.5 -0.968 36.8-115.5-173.1 172.2 60.6 -10.7 -37.6 67 72 A V E -D 77 0B 28 -2,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.960 31.8-165.4-127.0 110.6 63.0 -7.9 -38.5 68 73 A V E -D 76 0B 0 8,-2.3 8,-2.5 -2,-0.5 2,-0.5 -0.555 14.5-135.9 -94.0 160.5 62.6 -4.7 -36.5 69 74 A T E -D 75 0B 47 36,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.958 21.1-147.1-119.7 110.8 64.1 -1.2 -37.3 70 75 A E > - 0 0 16 4,-2.7 3,-2.5 -2,-0.5 479,-0.0 -0.254 29.8-102.3 -74.1 163.1 65.6 0.6 -34.3 71 76 A H T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 478,-0.0 0.790 121.0 61.1 -56.4 -28.0 65.6 4.4 -33.9 72 77 A D T 3 S- 0 0 120 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.399 120.3-108.2 -81.8 6.3 69.2 4.5 -35.0 73 78 A G S < S+ 0 0 55 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.417 75.6 136.0 86.4 -4.1 68.2 3.0 -38.4 74 79 A A - 0 0 34 -5,-0.1 -4,-2.7 1,-0.0 2,-0.5 -0.619 48.1-137.9 -82.5 137.4 69.8 -0.4 -37.7 75 80 A R E - D 0 69B 109 -2,-0.3 -43,-2.4 -6,-0.2 2,-0.4 -0.806 21.3-170.1 -97.5 130.8 67.8 -3.5 -38.6 76 81 A Y E -CD 31 68B 60 -8,-2.5 -8,-2.3 -2,-0.5 2,-0.2 -0.962 20.9-131.1-126.6 139.3 67.7 -6.4 -36.3 77 82 A D E -CD 30 67B 16 -47,-3.2 -47,-2.0 -2,-0.4 2,-0.3 -0.586 29.9-169.6 -78.1 143.6 66.4 -10.0 -36.5 78 83 A I E -CD 29 66B 1 -12,-2.7 -12,-1.8 -2,-0.2 2,-0.4 -0.976 12.5-171.7-136.2 151.2 64.2 -11.0 -33.6 79 84 A M E -CD 28 65B 0 -51,-1.7 -51,-3.1 -2,-0.3 2,-0.6 -0.975 4.8-164.8-144.3 126.2 62.8 -14.4 -32.6 80 85 A V E +C 27 0B 1 -16,-2.3 21,-0.3 -2,-0.4 -53,-0.2 -0.932 22.7 161.5-118.8 107.4 60.3 -14.9 -29.8 81 86 A V E -C 26 0B 14 -55,-1.8 -55,-3.0 -2,-0.6 -21,-0.1 -0.885 41.0 -94.0-126.9 155.2 60.0 -18.4 -28.6 82 87 A P E -C 25 0B 13 0, 0.0 2,-0.6 0, 0.0 -57,-0.3 -0.339 37.1-117.6 -67.2 149.9 58.6 -20.2 -25.5 83 88 A D > - 0 0 18 -59,-2.8 8,-1.6 9,-0.2 3,-1.1 -0.791 15.0-159.3 -92.8 114.1 60.9 -21.0 -22.6 84 89 A K T 3 S+ 0 0 143 -2,-0.6 -1,-0.1 1,-0.2 8,-0.1 0.747 91.6 54.6 -63.9 -24.2 61.1 -24.8 -21.9 85 90 A A T 3 S+ 0 0 71 5,-0.1 2,-0.4 6,-0.1 -1,-0.2 0.554 78.5 106.2 -89.7 -8.2 62.3 -24.1 -18.4 86 91 A C <> - 0 0 0 -3,-1.1 4,-2.3 1,-0.2 5,-0.3 -0.595 64.2-148.0 -71.4 124.7 59.4 -21.9 -17.3 87 92 A V T 4 S+ 0 0 68 -2,-0.4 -1,-0.2 1,-0.2 547,-0.1 0.680 90.1 65.9 -68.9 -14.7 57.3 -24.0 -15.0 88 93 A V T 4 S+ 0 0 0 545,-0.1 -1,-0.2 1,-0.1 152,-0.1 0.987 125.0 4.9 -68.1 -57.0 54.1 -22.2 -16.2 89 94 A N T >4 S- 0 0 0 -6,-0.2 3,-2.8 -67,-0.1 -2,-0.2 0.442 82.4-141.1-107.9 -7.8 54.1 -23.4 -19.8 90 95 A S T 3< S- 0 0 62 -4,-2.3 -6,-0.2 1,-0.3 -3,-0.1 0.900 82.5 -42.8 44.6 46.6 57.0 -25.9 -19.9 91 96 A G T 3 S+ 0 0 4 -8,-1.6 -1,-0.3 -5,-0.3 -7,-0.2 0.471 105.9 139.8 82.8 -1.4 57.9 -24.6 -23.3 92 97 A L < - 0 0 16 -3,-2.8 2,-0.4 -9,-0.2 -1,-0.3 -0.517 32.3-165.6 -80.5 146.1 54.4 -24.5 -24.6 93 98 A S - 0 0 2 -2,-0.2 2,-0.1 -11,-0.1 -68,-0.0 -0.998 10.3-143.6-130.4 131.1 53.1 -21.6 -26.8 94 99 A S > - 0 0 9 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.464 34.6-103.3 -86.4 165.2 49.5 -20.8 -27.5 95 100 A T T 4 S+ 0 0 2 817,-0.2 4,-0.3 1,-0.2 818,-0.1 0.727 121.2 51.0 -61.1 -21.4 48.5 -19.5 -31.0 96 101 A R T >4 S+ 0 0 11 2,-0.2 3,-1.2 603,-0.1 -1,-0.2 0.942 113.9 38.8 -82.7 -51.9 48.1 -16.0 -29.5 97 102 A G G >4 S+ 0 0 0 1,-0.3 3,-2.4 2,-0.2 4,-0.2 0.863 106.9 69.0 -65.6 -32.6 51.5 -15.8 -27.7 98 103 A G G 3< S+ 0 0 1 -4,-2.8 3,-0.4 1,-0.3 -1,-0.3 0.716 95.2 55.4 -58.2 -21.5 53.0 -17.5 -30.7 99 104 A K G X> S+ 0 0 12 -3,-1.2 4,-1.8 -4,-0.3 3,-0.7 0.435 72.4 109.3 -91.4 -0.8 52.3 -14.5 -32.8 100 105 A M T <4 S+ 0 0 2 -3,-2.4 4,-0.4 1,-0.3 3,-0.3 0.858 78.7 49.6 -44.9 -43.4 54.2 -12.1 -30.5 101 106 A A T >4 S+ 0 0 1 -3,-0.4 3,-0.9 -21,-0.3 -1,-0.3 0.894 110.2 50.1 -64.4 -39.5 57.0 -11.6 -33.0 102 107 A S T <4 S+ 0 0 20 -39,-1.0 8,-0.5 -3,-0.7 9,-0.3 0.768 112.8 48.3 -69.2 -24.6 54.6 -10.9 -35.9 103 108 A Y T 3< S+ 0 0 7 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.394 85.4 105.1 -97.9 3.2 52.8 -8.3 -33.7 104 109 A M S < S- 0 0 0 -3,-0.9 7,-0.4 -4,-0.4 2,-0.1 -0.497 88.4 -85.3 -75.8 155.1 55.9 -6.5 -32.5 105 110 A Y + 0 0 37 -2,-0.1 -36,-0.3 5,-0.1 -1,-0.1 -0.401 60.5 149.0 -70.8 139.2 56.3 -3.2 -34.3 106 111 A T - 0 0 0 -38,-0.1 3,-0.3 -2,-0.1 8,-0.2 -0.932 51.0-119.9-157.4 147.5 57.9 -2.9 -37.7 107 112 A P S S+ 0 0 55 0, 0.0 -39,-0.1 0, 0.0 -2,-0.0 0.567 111.2 33.9 -72.0 -7.0 57.2 -0.4 -40.5 108 113 A T S S+ 0 0 119 3,-0.0 -3,-0.0 0, 0.0 4,-0.0 0.462 105.9 77.6-123.7 -7.2 56.2 -3.2 -43.0 109 114 A G S > S- 0 0 22 -3,-0.3 3,-1.8 -42,-0.1 4,-0.1 0.014 102.2 -66.6 -92.8-160.3 54.6 -5.9 -40.9 110 115 A D T 3 S+ 0 0 38 -8,-0.5 3,-0.4 1,-0.3 -7,-0.1 0.725 131.2 52.2 -60.0 -23.8 51.3 -6.6 -39.2 111 116 A G T > + 0 0 0 -7,-0.4 3,-1.8 -9,-0.3 -1,-0.3 0.176 69.5 113.5-101.4 19.5 52.0 -3.7 -36.8 112 117 A K T < S+ 0 0 110 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.681 72.6 60.4 -65.4 -14.4 52.7 -1.0 -39.4 113 118 A E T 3 S+ 0 0 78 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 0.333 75.2 129.8 -94.7 8.6 49.6 1.0 -38.4 114 119 A R S < S- 0 0 1 -3,-1.8 2,-0.5 -8,-0.2 397,-0.2 -0.159 73.8 -96.5 -54.4 157.8 50.7 1.4 -34.8 115 120 A L + 0 0 0 395,-2.1 -1,-0.1 1,-0.1 440,-0.1 -0.715 43.8 176.2 -81.3 123.3 50.5 5.0 -33.5 116 121 A S + 0 0 36 -2,-0.5 438,-2.6 1,-0.2 439,-0.2 0.402 66.7 8.4-108.0 -2.0 54.0 6.5 -34.0 117 122 A A S S- 0 0 18 436,-0.2 -1,-0.2 437,-0.1 13,-0.1 -0.971 97.4 -69.8-166.2 165.6 53.1 10.0 -32.8 118 123 A P - 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0 0 26 -11,-2.6 2,-0.2 -2,-0.1 -1,-0.0 -0.729 30.4 -91.8-139.9-171.6 51.1 16.3 -34.4 130 135 A T > - 0 0 84 -2,-0.2 4,-2.9 -13,-0.1 5,-0.2 -0.699 25.8-116.6-108.9 164.0 53.7 16.7 -31.7 131 136 A W H > S+ 0 0 26 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.861 116.0 54.1 -64.0 -35.4 53.7 15.8 -28.0 132 137 A D H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.902 112.7 42.4 -65.2 -42.6 54.0 19.5 -27.1 133 138 A H H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.960 114.7 51.1 -67.2 -50.9 51.0 20.4 -29.2 134 139 A A H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.885 112.8 45.3 -53.9 -44.3 49.0 17.4 -27.9 135 140 A M H X>S+ 0 0 5 -4,-2.7 4,-3.0 2,-0.2 5,-0.6 0.828 107.7 58.4 -70.4 -31.7 49.8 18.2 -24.3 136 141 A A H X5S+ 0 0 27 -4,-1.6 4,-0.6 -5,-0.2 -2,-0.2 0.892 115.6 35.6 -64.3 -39.5 48.9 21.9 -24.9 137 142 A L H X5S+ 0 0 5 -4,-2.0 4,-2.2 3,-0.2 -2,-0.2 0.926 123.0 44.3 -78.2 -46.4 45.4 20.9 -26.0 138 143 A Y H X5S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.2 -3,-0.2 0.918 120.4 37.5 -66.1 -50.1 45.1 18.0 -23.6 139 144 A A H X5S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.846 113.8 60.3 -71.8 -31.9 46.4 19.6 -20.4 140 145 A G H XS+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 5,-1.7 0.927 111.5 48.6 -58.2 -46.4 37.7 21.9 -16.8 146 151 A L H <5S+ 0 0 17 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.886 113.4 46.4 -62.2 -40.4 39.4 21.7 -13.4 147 152 A D H <5S+ 0 0 64 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.848 127.2 27.0 -72.3 -33.7 39.2 25.4 -12.8 148 153 A S H <5S+ 0 0 76 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.891 139.1 15.8 -94.2 -48.7 35.6 25.7 -13.9 149 154 A D T <5S- 0 0 62 -4,-2.9 3,-0.4 -5,-0.4 -3,-0.2 0.636 93.4-135.2-103.5 -18.3 33.9 22.4 -13.2 150 155 A G > < - 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