==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-FEB-06 2FWN . COMPND 2 MOLECULE: BENZOYLFORMATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.K.BERA,M.S.HASSON . 524 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 42 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 1 1 3 2 1 1 5 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 3 4 3 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 . 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 2 A A 0 0 101 0, 0.0 165,-2.9 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 148.5 -32.1 34.9 9.0 2 3 A S B > -A 165 0A 41 163,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.453 360.0-110.5 -80.4 163.3 -30.0 37.9 9.8 3 4 A V H > S+ 0 0 0 161,-2.5 4,-2.5 158,-0.4 5,-0.2 0.903 121.4 55.5 -56.4 -41.0 -26.3 38.1 8.9 4 5 A H H > S+ 0 0 16 158,-2.6 4,-2.4 160,-0.3 5,-0.2 0.963 110.0 43.5 -58.0 -52.9 -25.7 38.0 12.7 5 6 A G H > S+ 0 0 33 157,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.911 115.5 47.9 -62.1 -42.0 -27.6 34.7 13.1 6 7 A T H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.881 111.6 50.6 -66.2 -37.8 -26.1 33.1 10.0 7 8 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.928 110.3 47.6 -70.2 -43.2 -22.6 34.1 11.0 8 9 A Y H X S+ 0 0 4 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.872 111.5 52.0 -65.4 -34.7 -22.9 32.7 14.6 9 10 A E H X S+ 0 0 55 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.918 109.5 50.6 -62.7 -42.6 -24.3 29.4 13.1 10 11 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.935 110.9 47.9 -57.2 -49.4 -21.4 29.2 10.8 11 12 A L H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 3,-0.3 0.941 113.9 46.3 -58.3 -48.2 -19.0 29.7 13.6 12 13 A R H ><5S+ 0 0 81 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.927 112.2 51.0 -59.2 -44.5 -20.7 27.1 15.8 13 14 A R H 3<5S+ 0 0 103 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.811 109.2 51.9 -66.4 -28.0 -20.9 24.6 12.9 14 15 A Q T 3<5S- 0 0 42 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.252 126.2 -99.5 -92.0 10.5 -17.2 25.2 12.3 15 16 A G T < 5S+ 0 0 44 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.572 78.0 134.3 90.6 9.1 -16.3 24.5 15.9 16 17 A I < + 0 0 8 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.816 8.3 148.8 -97.8 129.7 -15.9 28.0 17.2 17 18 A D + 0 0 69 -2,-0.5 22,-2.2 1,-0.1 2,-0.4 0.280 52.8 71.5-140.0 7.6 -17.5 28.7 20.5 18 19 A T E -b 39 0B 12 20,-0.2 47,-0.6 2,-0.0 2,-0.5 -0.993 54.8-160.4-134.3 133.0 -15.3 31.4 22.2 19 20 A V E -bc 40 65B 0 20,-3.0 22,-2.9 -2,-0.4 2,-0.5 -0.982 5.4-159.2-113.8 119.5 -14.7 35.0 21.3 20 21 A F E +bc 41 66B 1 45,-2.8 47,-2.4 -2,-0.5 2,-0.3 -0.862 38.6 147.1 -91.8 123.2 -11.5 36.7 22.6 21 22 A G E -bc 42 67B 0 20,-2.4 22,-1.8 -2,-0.5 47,-0.2 -0.973 55.7-150.6-155.6 163.1 -12.2 40.5 22.6 22 23 A N - 0 0 34 45,-1.6 47,-0.2 -2,-0.3 22,-0.1 -0.941 47.4-132.8-129.9 116.9 -12.0 44.0 23.7 23 24 A P + 0 0 58 0, 0.0 2,-0.3 0, 0.0 46,-0.1 -0.272 29.7 168.3 -79.7 160.7 -15.3 45.7 22.6 24 25 A G >> - 0 0 15 44,-0.1 3,-1.4 -2,-0.0 4,-1.0 -0.921 49.5 -87.1-153.6-178.5 -16.1 48.9 20.9 25 26 A X T 34 S+ 0 0 153 1,-0.3 3,-0.5 -2,-0.3 -1,-0.0 0.856 122.1 53.6 -67.7 -35.3 -18.9 50.8 19.3 26 27 A N T 34 S+ 0 0 1 1,-0.2 71,-0.3 70,-0.2 -1,-0.3 0.618 112.1 48.8 -71.6 -11.0 -18.5 49.2 15.8 27 28 A E T X> S+ 0 0 2 -3,-1.4 4,-2.6 69,-0.2 3,-1.2 0.588 83.9 86.7-104.6 -17.7 -18.6 45.8 17.4 28 29 A L H 3X S+ 0 0 97 -4,-1.0 4,-2.2 -3,-0.5 -2,-0.1 0.878 86.9 55.1 -56.0 -42.7 -21.8 46.1 19.6 29 30 A P H 34 S+ 0 0 22 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.755 112.7 43.6 -66.2 -18.7 -24.1 45.1 16.8 30 31 A F H <4 S+ 0 0 1 -3,-1.2 -2,-0.2 -4,-0.1 -3,-0.1 0.838 117.3 45.3 -80.8 -44.1 -22.0 41.9 16.4 31 32 A L H < S+ 0 0 24 -4,-2.6 3,-0.5 3,-0.1 -3,-0.2 0.696 90.7 98.8 -78.8 -21.1 -21.8 41.2 20.1 32 33 A K S < S+ 0 0 69 -4,-2.2 0, 0.0 -5,-0.2 0, 0.0 -0.216 85.5 24.7 -62.8 160.6 -25.4 41.9 21.0 33 34 A D S S- 0 0 128 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.909 90.4-165.4 50.6 39.6 -27.7 38.9 21.4 34 35 A F - 0 0 50 -3,-0.5 -1,-0.2 1,-0.1 -3,-0.1 -0.376 26.7-102.2 -61.4 129.4 -24.5 37.0 22.1 35 36 A P > - 0 0 19 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.258 18.0-133.1 -61.1 141.7 -25.3 33.3 21.9 36 37 A E T 3 S+ 0 0 188 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.743 106.0 56.0 -63.8 -26.8 -25.8 31.5 25.2 37 38 A D T 3 S+ 0 0 83 2,-0.0 -1,-0.3 -19,-0.0 2,-0.3 0.408 95.7 83.6 -87.8 1.2 -23.5 28.6 24.0 38 39 A F < - 0 0 14 -3,-1.9 2,-0.4 -20,-0.0 -20,-0.2 -0.723 68.4-141.9-102.0 156.6 -20.6 31.0 23.3 39 40 A R E -b 18 0B 113 -22,-2.2 -20,-3.0 -2,-0.3 2,-0.5 -0.946 6.2-153.8-111.5 134.8 -18.0 32.3 25.7 40 41 A Y E -b 19 0B 47 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.960 5.4-164.1-109.0 125.7 -16.6 35.9 25.6 41 42 A I E -b 20 0B 2 -22,-2.9 -20,-2.4 -2,-0.5 2,-0.3 -0.934 11.8-156.2-110.7 106.4 -13.2 36.4 27.1 42 43 A L E -b 21 0B 42 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.663 12.4-178.0 -82.6 136.2 -12.5 40.0 27.8 43 44 A A - 0 0 0 -22,-1.8 393,-0.1 -2,-0.3 6,-0.1 -0.943 29.7-128.3-128.8 157.1 -9.0 41.5 28.0 44 45 A L S S+ 0 0 68 391,-0.3 2,-0.3 -2,-0.3 392,-0.1 0.517 89.6 26.1 -86.0 -11.7 -8.1 45.1 28.7 45 46 A Q S >> S- 0 0 62 -24,-0.1 4,-1.9 388,-0.1 3,-0.7 -0.973 79.6-119.1-149.2 149.8 -5.8 45.8 25.8 46 47 A E H 3> S+ 0 0 16 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.747 110.1 60.1 -74.1 -23.9 -5.7 44.2 22.3 47 48 A A H 3> S+ 0 0 17 29,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.861 110.4 46.6 -61.4 -35.4 -2.1 42.9 22.5 48 49 A C H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 5,-0.3 0.912 109.3 53.2 -69.6 -45.0 -3.5 40.9 25.5 49 50 A V H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.942 115.0 40.6 -51.8 -54.5 -6.6 39.8 23.6 50 51 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.891 113.0 53.9 -68.5 -38.4 -4.6 38.5 20.8 51 52 A G H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.907 110.5 46.9 -57.9 -44.3 -1.9 36.9 23.0 52 53 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.952 113.6 47.8 -63.1 -48.1 -4.5 35.0 25.0 53 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.880 110.6 53.6 -59.1 -38.5 -6.3 33.8 21.8 54 55 A D H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.950 108.8 46.6 -63.5 -52.2 -2.9 32.8 20.4 55 56 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.915 113.7 50.6 -55.1 -42.9 -2.0 30.7 23.4 56 57 A Y H X S+ 0 0 31 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.936 112.8 45.1 -60.6 -48.0 -5.5 29.1 23.3 57 58 A A H X>S+ 0 0 1 -4,-2.9 4,-1.5 2,-0.2 5,-1.1 0.894 113.7 48.9 -63.2 -44.3 -5.2 28.3 19.6 58 59 A Q H <5S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.924 117.5 40.3 -63.7 -43.9 -1.7 26.9 19.8 59 60 A A H <5S+ 0 0 3 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.861 119.3 45.1 -71.8 -41.2 -2.5 24.7 22.8 60 61 A S H <5S- 0 0 35 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.639 98.5-136.3 -77.5 -18.0 -5.9 23.6 21.4 61 62 A R T <5S+ 0 0 72 -4,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.888 72.0 93.2 58.6 44.9 -4.6 23.0 17.9 62 63 A K S > - d 0 96B 28 -2,-0.3 4,-2.7 26,-0.2 5,-0.5 -0.759 58.5 -82.7 -93.9 104.7 -12.3 47.6 17.7 70 71 A S H >5S- 0 0 4 -2,-0.9 4,-1.6 26,-0.6 5,-0.1 0.091 89.5 -28.6 47.5-144.0 -11.6 49.1 14.3 71 72 A A H >5S+ 0 0 33 2,-0.2 4,-3.1 3,-0.2 -1,-0.2 0.885 136.8 51.4 -74.8 -43.0 -8.2 50.5 13.4 72 73 A A H >5S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.926 114.4 43.6 -66.7 -43.4 -7.0 51.5 16.9 73 74 A G H X5S+ 0 0 1 -4,-2.7 4,-0.7 2,-0.2 -3,-0.2 0.916 116.0 47.3 -65.2 -44.5 -7.8 48.1 18.4 74 75 A T H ><< S+ 0 0 35 -4,-3.1 3,-1.8 1,-0.3 4,-0.3 0.903 103.2 56.8 -60.1 -39.4 -3.3 48.4 15.6 76 77 A N H 3< S+ 0 0 78 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.701 109.1 49.5 -62.3 -20.2 -2.8 47.8 19.3 77 78 A A T S+ 0 0 35 -3,-1.8 4,-1.4 1,-0.2 -1,-0.1 0.817 79.8 53.6 -72.7 -25.6 -0.2 44.2 15.6 79 80 A G H > S+ 0 0 49 -4,-0.3 4,-1.4 -3,-0.2 -1,-0.2 0.902 109.1 51.3 -66.3 -37.1 2.9 43.2 17.7 80 81 A A H > S+ 0 0 14 1,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.907 106.5 54.2 -65.8 -37.7 1.0 40.2 18.8 81 82 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.828 99.0 62.4 -64.6 -30.9 0.2 39.4 15.2 82 83 A S H X S+ 0 0 31 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.941 108.7 41.8 -58.1 -46.4 4.0 39.5 14.4 83 84 A N H X S+ 0 0 5 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.944 112.3 54.3 -63.9 -47.1 4.4 36.5 16.8 84 85 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.4 0.856 105.2 54.2 -58.9 -36.9 1.3 34.7 15.5 85 86 A W H ><5S+ 0 0 72 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.956 110.4 46.0 -61.4 -47.3 2.5 34.9 11.9 86 87 A N H 3<5S+ 0 0 31 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.754 113.8 47.9 -70.4 -24.7 5.8 33.2 12.9 87 88 A S T 3<5S- 0 0 6 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.398 107.2-123.5 -95.3 4.1 4.1 30.5 14.9 88 89 A H T < 5 - 0 0 15 -3,-1.2 -3,-0.2 -4,-0.4 63,-0.2 0.909 45.2-179.6 54.2 42.0 1.6 29.7 12.2 89 90 A S < - 0 0 0 -5,-2.5 2,-1.7 -6,-0.2 -1,-0.2 -0.613 29.9-130.9 -81.1 127.6 -1.2 30.4 14.7 90 91 A P + 0 0 5 0, 0.0 -26,-2.2 0, 0.0 2,-0.5 -0.542 43.9 162.4 -81.4 89.3 -4.7 30.0 13.2 91 92 A L E -d 64 0B 0 -2,-1.7 62,-2.3 -28,-0.2 2,-0.9 -0.932 32.4-155.1-114.6 127.4 -6.3 33.3 14.4 92 93 A I E -de 65 153B 0 -28,-3.1 -26,-2.9 -2,-0.5 2,-0.7 -0.861 18.8-167.1-100.5 99.5 -9.4 34.7 13.0 93 94 A V E -de 66 154B 0 60,-2.4 62,-2.5 -2,-0.9 2,-0.4 -0.818 7.4-178.6 -94.8 112.3 -9.1 38.4 13.7 94 95 A T E -de 67 155B 5 -28,-2.2 -26,-2.9 -2,-0.7 2,-0.3 -0.863 3.2-176.7-109.4 146.9 -12.3 40.4 13.2 95 96 A A E -de 68 156B 2 60,-2.3 62,-2.2 -2,-0.4 2,-0.3 -0.996 24.3-119.1-138.7 140.9 -12.7 44.1 13.6 96 97 A G E -de 69 157B 4 -28,-1.4 -26,-0.6 -2,-0.3 2,-0.2 -0.616 24.9-159.2 -84.2 147.7 -15.8 46.3 13.3 97 98 A Q E - e 0 158B 2 60,-2.3 62,-2.1 -71,-0.3 13,-0.2 -0.725 29.7 -86.1-113.9 162.8 -16.0 49.1 10.8 98 99 A Q - 0 0 16 -2,-0.2 -1,-0.2 11,-0.2 62,-0.2 -0.181 62.5 -76.1 -61.0 161.7 -18.2 52.2 10.7 99 100 A T >> - 0 0 21 59,-0.2 3,-2.3 60,-0.1 4,-0.6 -0.350 47.6-113.8 -57.4 141.9 -21.7 52.0 9.2 100 101 A R H >> S+ 0 0 71 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.852 114.8 59.9 -55.0 -36.1 -21.4 51.9 5.4 101 102 A A H 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.690 109.5 43.0 -66.5 -16.8 -23.1 55.3 5.1 102 103 A M H <4>S+ 0 0 79 -3,-2.3 5,-1.7 1,-0.1 4,-0.4 0.387 88.7 87.6-111.0 1.9 -20.4 57.0 7.2 103 104 A I H X<5S+ 0 0 42 -3,-1.2 3,-1.3 -4,-0.6 -2,-0.1 0.908 84.3 55.3 -67.5 -42.6 -17.3 55.3 5.7 104 105 A G T 3<5S+ 0 0 74 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.863 106.7 48.2 -60.9 -41.1 -16.8 57.9 2.9 105 106 A V T 3 5S- 0 0 116 -4,-0.2 -1,-0.3 1,-0.0 -2,-0.2 0.561 110.2-124.6 -76.2 -6.6 -16.7 60.9 5.1 106 107 A E T < 5 - 0 0 124 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.963 36.7-166.5 53.0 59.3 -14.2 59.1 7.4 107 108 A A > < - 0 0 20 -5,-1.7 3,-2.1 1,-0.1 -9,-0.1 -0.256 39.3 -72.4 -57.6 155.6 -16.3 59.5 10.5 108 109 A L T 3 S+ 0 0 147 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.293 125.9 31.9 -50.0 142.1 -14.6 58.8 13.8 109 110 A L T 3 S+ 0 0 36 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.347 83.5 139.9 81.0 3.3 -14.0 55.0 14.1 110 111 A T < - 0 0 18 -3,-2.1 2,-1.0 -13,-0.2 -1,-0.3 -0.605 49.1-142.7 -72.2 128.3 -13.7 54.5 10.4 111 112 A N > - 0 0 5 -2,-0.4 3,-0.9 -3,-0.1 2,-0.3 -0.829 22.9-145.5 -92.0 100.8 -10.9 52.0 9.6 112 113 A V T 3 S- 0 0 79 -2,-1.0 5,-0.1 1,-0.3 4,-0.1 -0.529 74.7 -7.7 -75.9 133.5 -9.4 53.5 6.5 113 114 A D T >> S- 0 0 112 -2,-0.3 3,-1.8 1,-0.1 4,-0.6 0.926 87.2-177.7 49.9 45.6 -8.1 51.1 3.9 114 115 A A G X4 + 0 0 6 -3,-0.9 3,-1.3 1,-0.3 -2,-0.1 0.807 67.2 58.5 -52.1 -47.2 -8.8 48.5 6.5 115 116 A A G 34 S+ 0 0 21 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.798 105.1 53.5 -61.1 -23.4 -7.5 45.4 4.7 116 117 A N G <4 S+ 0 0 72 -3,-1.8 3,-0.5 1,-0.2 -1,-0.3 0.709 89.0 81.3 -81.2 -17.3 -4.0 47.0 4.4 117 118 A L S << S+ 0 0 62 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.933 97.2 35.3 -58.7 -56.9 -3.7 47.7 8.1 118 119 A P S > S+ 0 0 0 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.614 95.9 144.2 -78.5 -7.5 -2.6 44.3 9.3 119 120 A R T 3 + 0 0 120 -3,-0.5 4,-0.1 -4,-0.3 -3,-0.0 -0.473 55.7 28.3 -66.2 145.8 -0.5 43.5 6.2 120 121 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.880 115.2 64.5 -95.3 26.6 2.1 42.0 5.9 121 122 A L S < S+ 0 0 37 -3,-2.4 2,-0.3 30,-0.0 -2,-0.2 0.286 92.3 69.3 -98.4 12.7 1.3 39.9 9.1 122 123 A V - 0 0 15 29,-0.1 31,-0.2 1,-0.1 3,-0.1 -0.937 68.0-140.1-131.7 152.2 -1.8 38.1 7.8 123 124 A K S S+ 0 0 53 29,-3.1 2,-0.3 -2,-0.3 30,-0.2 0.764 94.1 8.2 -73.0 -28.3 -2.5 35.3 5.3 124 125 A W - 0 0 40 28,-0.5 30,-2.4 2,-0.0 2,-0.3 -0.964 64.7-174.5-157.7 139.8 -5.7 37.0 4.1 125 126 A S E +f 154 0B 4 -2,-0.3 2,-0.3 28,-0.2 30,-0.2 -0.987 18.4 157.5-147.3 130.9 -7.2 40.4 4.8 126 127 A Y E -f 155 0B 59 28,-1.8 30,-2.4 -2,-0.3 -2,-0.0 -1.000 34.6-157.9-160.7 147.6 -10.6 41.6 3.6 127 128 A E - 0 0 53 -2,-0.3 30,-0.1 28,-0.2 -12,-0.1 -0.984 38.8-122.5-126.1 120.4 -13.6 43.9 4.0 128 129 A P - 0 0 1 0, 0.0 6,-0.1 0, 0.0 3,-0.0 -0.254 5.9-136.4 -66.1 150.5 -16.8 42.6 2.3 129 130 A A S S+ 0 0 83 1,-0.1 2,-0.3 4,-0.0 3,-0.1 0.470 84.5 17.1 -84.0 -4.6 -18.6 44.7 -0.4 130 131 A S S > S- 0 0 53 1,-0.1 3,-0.7 28,-0.0 4,-0.4 -0.980 76.8-111.4-161.2 160.1 -22.0 44.0 1.0 131 132 A A G > S+ 0 0 13 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.910 113.8 57.6 -62.6 -42.0 -23.8 42.8 4.1 132 133 A A G 3 S+ 0 0 43 1,-0.3 35,-0.5 2,-0.2 4,-0.4 0.712 100.6 59.7 -67.0 -17.8 -25.0 39.5 2.5 133 134 A E G <> S+ 0 0 35 -3,-0.7 4,-2.6 1,-0.2 -1,-0.3 0.640 80.3 90.0 -77.6 -17.2 -21.3 38.6 1.7 134 135 A V H <> S+ 0 0 0 -3,-1.9 4,-2.5 -4,-0.4 5,-0.2 0.886 84.8 48.4 -54.6 -48.0 -20.3 38.7 5.4 135 136 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.918 113.7 48.1 -58.5 -42.2 -21.0 35.0 6.1 136 137 A H H > S+ 0 0 85 -4,-0.4 4,-2.4 -3,-0.2 -2,-0.2 0.916 111.4 49.9 -61.5 -42.2 -19.1 33.9 3.0 137 138 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.892 109.9 51.8 -63.3 -38.5 -16.2 36.2 4.0 138 139 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.901 107.5 52.4 -64.6 -42.6 -16.3 34.7 7.5 139 140 A S H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.942 109.2 49.8 -57.1 -46.1 -16.1 31.2 5.9 140 141 A R H X S+ 0 0 87 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.903 110.1 51.0 -58.6 -42.4 -13.1 32.3 3.9 141 142 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.919 109.0 50.2 -61.3 -47.4 -11.5 33.6 7.0 142 143 A I H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.950 116.7 40.6 -56.0 -49.5 -12.0 30.4 8.9 143 144 A H H X S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.897 112.3 53.8 -72.9 -39.6 -10.5 28.2 6.2 144 145 A M H < S+ 0 0 57 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.877 112.3 45.8 -59.8 -38.9 -7.7 30.6 5.3 145 146 A A H < S+ 0 0 0 -4,-2.2 6,-1.5 -5,-0.2 -1,-0.2 0.842 117.8 44.3 -66.2 -35.3 -6.6 30.5 9.0 146 147 A S H < S+ 0 0 34 -4,-1.5 -2,-0.2 -5,-0.2 4,-0.2 0.717 91.0 89.5 -91.2 -24.3 -7.0 26.8 9.3 147 148 A M S < S- 0 0 52 -4,-2.4 4,-0.1 2,-0.2 32,-0.1 -0.452 91.2 -62.4 -74.1 144.8 -5.4 25.5 6.1 148 149 A A S S+ 0 0 33 1,-0.3 -1,-0.1 -2,-0.2 152,-0.1 -0.468 127.3 42.6 -58.9 132.2 -1.6 24.7 6.1 149 150 A P S S- 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.460 96.9-150.8 -76.6 127.4 0.4 26.7 6.6 150 151 A Q + 0 0 58 -4,-0.2 -4,-0.2 -62,-0.2 -5,-0.1 -0.154 30.6 141.6 -63.4 156.9 -1.9 28.0 9.4 151 152 A G - 0 0 1 -6,-1.5 -60,-0.2 -63,-0.2 2,-0.1 -0.987 48.2 -61.8-179.9 172.7 -1.8 31.7 10.2 152 153 A P - 0 0 0 0, 0.0 -29,-3.1 0, 0.0 -28,-0.5 -0.440 43.3-173.0 -73.5 148.5 -3.7 34.8 11.2 153 154 A V E -e 92 0B 0 -62,-2.3 -60,-2.4 -31,-0.2 2,-0.4 -0.897 11.3-138.9-134.2 163.3 -6.3 36.4 9.0 154 155 A Y E +ef 93 125B 0 -30,-2.4 -28,-1.8 -2,-0.3 2,-0.4 -0.992 15.4 179.5-138.0 133.9 -8.3 39.6 9.1 155 156 A L E -ef 94 126B 0 -62,-2.5 -60,-2.3 -2,-0.4 2,-0.4 -0.990 9.4-162.3-134.3 122.4 -11.9 40.5 8.4 156 157 A S E -e 95 0B 0 -30,-2.4 -60,-0.2 -2,-0.4 -41,-0.1 -0.893 11.2-169.6-104.8 130.5 -13.4 44.0 8.8 157 158 A V E -e 96 0B 3 -62,-2.2 -60,-2.3 -2,-0.4 5,-0.1 -0.955 23.5-126.0-129.0 116.5 -17.2 44.3 9.0 158 159 A P E > -e 97 0B 0 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.332 28.8-126.0 -55.2 135.6 -19.3 47.5 8.8 159 160 A Y G > S+ 0 0 77 -62,-2.1 3,-0.7 1,-0.3 4,-0.3 0.719 103.6 61.2 -67.7 -23.7 -21.5 47.5 11.9 160 161 A D G 3 S+ 0 0 36 1,-0.2 3,-0.4 -62,-0.2 4,-0.4 0.559 87.4 77.2 -75.9 -8.8 -24.8 47.9 10.0 161 162 A D G X S+ 0 0 2 -3,-2.0 3,-1.3 1,-0.2 -158,-0.4 0.844 79.0 69.7 -68.9 -31.9 -24.3 44.6 8.2 162 163 A W T < S+ 0 0 10 -3,-0.7 -158,-2.6 -4,-0.4 -159,-0.3 0.819 98.4 46.7 -60.9 -36.6 -25.2 42.4 11.1 163 164 A D T 3 S+ 0 0 101 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.564 92.6 102.0 -84.6 -7.6 -28.9 43.2 11.2 164 165 A K S < S- 0 0 91 -3,-1.3 -161,-2.5 -4,-0.4 -160,-0.3 -0.331 85.5 -88.3 -73.9 160.3 -29.4 42.8 7.4 165 166 A D B -A 2 0A 134 -163,-0.2 -163,-0.3 -162,-0.1 2,-0.2 -0.437 41.9-134.6 -65.8 134.2 -30.9 39.7 5.8 166 167 A A - 0 0 12 -165,-2.9 -34,-0.1 -2,-0.2 -33,-0.1 -0.546 25.3 -99.8 -81.8 156.9 -28.6 36.9 5.0 167 168 A D > - 0 0 79 -35,-0.5 3,-2.4 -2,-0.2 4,-0.2 -0.658 25.1-140.5 -69.6 121.5 -28.5 35.0 1.8 168 169 A P G > S+ 0 0 104 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.819 101.1 68.3 -54.9 -28.0 -30.4 31.7 2.4 169 170 A Q G > S+ 0 0 109 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.641 75.8 85.3 -71.4 -6.8 -27.7 30.1 0.2 170 171 A S G X + 0 0 8 -3,-2.4 3,-2.2 1,-0.3 4,-0.5 0.660 67.2 82.3 -64.7 -12.7 -25.3 30.8 2.9 171 172 A H G X S+ 0 0 95 -3,-1.9 3,-1.1 1,-0.3 4,-0.4 0.795 77.0 69.1 -64.0 -25.1 -26.4 27.5 4.5 172 173 A H G < S+ 0 0 112 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.657 92.9 61.4 -66.5 -16.0 -24.0 25.7 2.2 173 174 A L G X S+ 0 0 18 -3,-2.2 3,-1.4 1,-0.2 -1,-0.3 0.778 84.3 78.1 -73.2 -30.2 -21.1 27.3 4.2 174 175 A F T < S+ 0 0 23 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.838 101.8 28.2 -57.4 -45.9 -22.0 25.7 7.5 175 176 A D T 3 S+ 0 0 87 -4,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.135 79.2 142.7-108.6 20.5 -20.6 22.2 7.1 176 177 A R < - 0 0 120 -3,-1.4 2,-0.5 -4,-0.1 -3,-0.0 -0.432 34.8-157.0 -61.4 130.5 -17.8 22.7 4.6 177 178 A H - 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