==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-08 3ESC . COMPND 2 MOLECULE: CUTINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM SOLANI F. PISI; . AUTHOR L.RUTTEN,J.P.B.A.MANNIE,M.LUTZ,P.GROS . 195 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 1 0.5 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 . 11 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 0 0 0 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 17 A R 0 0 209 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-152.2 15.6 -28.0 19.5 2 18 A T + 0 0 45 1,-0.1 30,-2.7 30,-0.1 29,-1.6 0.475 360.0 64.0 -84.2 -1.1 18.2 -27.1 17.0 3 19 A T + 0 0 28 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.983 59.8 169.3-123.8 122.9 15.6 -26.7 14.3 4 20 A R + 0 0 32 -2,-0.5 52,-2.7 1,-0.0 3,-0.1 -0.992 10.7 168.0-132.7 128.6 12.8 -24.1 14.6 5 21 A D B > +A 55 0A 57 -2,-0.4 4,-2.4 50,-0.2 5,-0.2 -0.283 26.3 137.7-128.6 43.0 10.5 -23.2 11.7 6 22 A D T 4 S+ 0 0 41 48,-2.3 4,-0.4 1,-0.2 49,-0.2 0.835 75.0 45.0 -67.8 -29.8 7.9 -21.1 13.4 7 23 A L T >4 S+ 0 0 0 47,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.942 114.5 46.2 -75.5 -50.6 7.7 -18.5 10.7 8 24 A I T 34 S+ 0 0 64 1,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.873 119.2 42.5 -60.4 -34.2 7.6 -21.0 7.7 9 25 A N T 3< S+ 0 0 123 -4,-2.4 -1,-0.3 2,-0.0 -2,-0.2 0.515 103.6 83.2 -91.0 -4.8 5.0 -23.1 9.5 10 26 A G < - 0 0 12 -3,-0.8 2,-0.3 -4,-0.4 5,-0.1 -0.379 64.8-149.9 -87.3 174.0 2.9 -20.1 10.8 11 27 A N > - 0 0 86 -2,-0.1 3,-1.9 81,-0.0 4,-0.3 -0.905 33.4 -93.5-141.1 173.7 0.3 -18.2 8.9 12 28 A S T 3 S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.3 -2,-0.0 0.610 122.3 51.8 -62.3 -21.3 -1.1 -14.7 8.7 13 29 A A T 3 S+ 0 0 95 1,-0.2 -1,-0.3 80,-0.0 80,-0.0 0.530 112.1 46.3 -90.2 -8.6 -3.9 -15.6 11.2 14 30 A S S < S+ 0 0 57 -3,-1.9 -2,-0.2 2,-0.0 -1,-0.2 0.303 80.5 153.6-114.4 12.5 -1.6 -17.0 13.8 15 31 A a - 0 0 45 -4,-0.3 2,-0.2 -3,-0.2 -3,-0.1 -0.092 36.1-139.7 -47.3 133.0 1.1 -14.3 13.8 16 32 A A - 0 0 7 2,-0.1 35,-0.1 1,-0.1 36,-0.1 -0.481 20.0-121.1 -77.4 160.2 3.3 -13.8 16.9 17 33 A D S S+ 0 0 92 33,-0.3 80,-2.8 34,-0.2 2,-0.4 0.722 98.3 41.6 -74.4 -21.8 4.1 -10.2 17.9 18 34 A V E -bc 52 97A 2 33,-0.7 35,-2.6 78,-0.2 2,-0.4 -0.985 65.8-167.7-132.3 134.7 7.9 -10.8 17.6 19 35 A I E -bc 53 98A 0 78,-2.5 80,-2.4 -2,-0.4 2,-0.5 -0.992 4.9-164.4-128.9 121.6 9.7 -12.8 14.9 20 36 A F E -bc 54 99A 0 33,-3.0 35,-2.6 -2,-0.4 2,-0.5 -0.939 1.7-168.6-107.7 121.0 13.4 -13.8 15.4 21 37 A I E -bc 55 100A 0 78,-2.2 80,-1.8 -2,-0.5 2,-0.4 -0.957 13.2-176.6-112.3 123.2 15.4 -15.0 12.4 22 38 A Y E -bc 56 101A 0 33,-2.3 35,-2.2 -2,-0.5 2,-0.5 -0.967 18.2-152.0-129.9 136.2 18.8 -16.5 13.2 23 39 A A E - c 0 102A 0 78,-2.3 80,-1.8 -2,-0.4 87,-0.1 -0.897 19.4-140.7-110.5 125.2 21.7 -17.9 11.1 24 40 A R - 0 0 22 -2,-0.5 82,-0.2 7,-0.4 9,-0.1 -0.097 23.4 -97.2 -75.2 171.1 23.9 -20.6 12.5 25 41 A G > - 0 0 0 1,-0.2 3,-1.8 80,-0.2 79,-0.1 -0.291 60.7 -57.6 -80.9 173.1 27.7 -21.0 12.2 26 42 A S T 3 S- 0 0 22 1,-0.3 38,-0.2 38,-0.1 -1,-0.2 -0.275 119.1 -3.5 -53.8 137.0 29.5 -23.1 9.7 27 43 A T T 3 S+ 0 0 103 36,-3.0 -1,-0.3 35,-0.3 2,-0.1 0.627 94.7 152.7 55.6 24.6 28.6 -26.8 9.7 28 44 A E < - 0 0 31 -3,-1.8 -1,-0.2 35,-0.1 2,-0.1 -0.443 47.0 -96.9 -82.9 160.1 26.3 -26.5 12.6 29 45 A T S > S- 0 0 100 -2,-0.1 4,-2.2 3,-0.1 3,-0.5 -0.352 78.9 -16.7 -75.8 146.5 23.3 -28.7 13.3 30 46 A G T 4 S- 0 0 32 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.238 104.0 -61.6 63.2-145.9 19.7 -27.9 12.4 31 47 A N T 4 S+ 0 0 8 -29,-1.6 26,-0.7 2,-0.1 -7,-0.4 0.384 135.3 45.6-115.4 4.8 19.0 -24.3 11.5 32 48 A L T > S- 0 0 0 -30,-2.7 4,-1.8 -3,-0.5 3,-0.5 0.571 82.1-174.5-117.9 -16.2 19.9 -22.9 15.0 33 49 A G T < - 0 0 6 -4,-2.2 -1,-0.1 -31,-0.6 -2,-0.1 -0.157 56.0 -28.5 60.8-151.5 23.2 -24.6 15.8 34 50 A T T 4 S+ 0 0 91 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.813 138.8 30.6 -76.2 -31.4 24.9 -24.2 19.2 35 51 A L T > S+ 0 0 9 -3,-0.5 4,-2.0 2,-0.1 3,-0.4 0.737 100.1 75.5-104.0 -28.9 23.7 -20.7 20.2 36 52 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.872 92.3 53.2 -56.9 -47.0 20.3 -20.3 18.7 37 53 A P H > S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.885 108.4 51.7 -60.4 -36.1 18.3 -22.6 21.1 38 54 A S H > S+ 0 0 35 -3,-0.4 4,-1.9 -4,-0.3 -2,-0.2 0.913 111.1 46.6 -63.2 -46.1 19.7 -20.6 24.1 39 55 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.952 112.6 51.3 -60.9 -47.2 18.7 -17.3 22.6 40 56 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.893 107.3 51.5 -58.5 -44.4 15.2 -18.7 21.8 41 57 A S H X S+ 0 0 74 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.899 111.4 47.9 -63.7 -36.1 14.6 -20.1 25.3 42 58 A N H X S+ 0 0 42 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.927 112.3 48.5 -71.1 -41.5 15.4 -16.7 26.8 43 59 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.908 110.9 51.5 -59.9 -42.2 13.2 -14.8 24.4 44 60 A E H X S+ 0 0 29 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.860 106.1 54.7 -65.9 -34.1 10.4 -17.3 25.1 45 61 A S H < S+ 0 0 107 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.886 115.4 39.9 -63.7 -38.9 10.7 -16.7 28.8 46 62 A A H < S+ 0 0 38 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.944 128.4 27.4 -76.1 -51.3 10.3 -13.0 28.3 47 63 A F H < S- 0 0 46 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.560 113.2-109.2 -88.6 -8.4 7.6 -12.8 25.7 48 64 A G >< - 0 0 33 -4,-1.7 3,-1.9 -5,-0.3 4,-0.4 0.087 36.4 -81.1 86.9 148.1 5.9 -16.1 26.5 49 65 A K G > S+ 0 0 120 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.898 135.6 43.1 -56.2 -36.6 6.0 -19.2 24.3 50 66 A D G 3 S+ 0 0 149 1,-0.2 -1,-0.3 -6,-0.1 -33,-0.3 0.461 99.7 74.2 -95.6 12.1 3.3 -17.8 22.1 51 67 A G G < S+ 0 0 16 -3,-1.9 -33,-0.7 -7,-0.2 2,-0.3 0.521 98.5 40.5 -92.8 -6.0 4.8 -14.2 22.1 52 68 A V E < - b 0 18A 0 -3,-0.8 2,-0.5 -4,-0.4 -33,-0.2 -0.999 63.1-145.2-150.8 137.5 7.6 -15.0 19.7 53 69 A W E - b 0 19A 25 -35,-2.6 -33,-3.0 -2,-0.3 2,-0.5 -0.912 17.6-155.2 -98.8 133.6 8.3 -17.0 16.5 54 70 A I E + b 0 20A 0 -2,-0.5 -48,-2.3 -35,-0.2 2,-0.4 -0.941 16.9 174.8-110.7 126.3 11.8 -18.5 16.3 55 71 A Q E -Ab 5 21A 2 -35,-2.6 -33,-2.3 -2,-0.5 -50,-0.2 -0.953 14.9-157.6-137.7 114.3 13.0 -19.2 12.7 56 72 A G E - b 0 22A 0 -52,-2.7 2,-1.0 -2,-0.4 -33,-0.2 -0.510 32.1-107.9 -83.4 160.5 16.5 -20.5 11.8 57 73 A V + 0 0 0 -35,-2.2 -33,-0.3 -26,-0.7 25,-0.1 -0.767 61.2 142.2 -90.5 105.5 17.9 -19.9 8.4 58 74 A G > + 0 0 17 -2,-1.0 3,-2.6 23,-0.1 5,-0.1 0.169 31.3 74.1-110.0-130.4 17.8 -23.3 6.7 59 75 A G T 3 S+ 0 0 49 1,-0.3 19,-0.1 3,-0.1 -2,-0.0 -0.264 116.9 1.7 58.9-126.4 16.9 -23.9 3.0 60 76 A A T 3 S+ 0 0 32 17,-0.2 2,-1.2 18,-0.1 -1,-0.3 0.536 107.4 100.7 -74.4 -6.1 19.7 -22.9 0.7 61 77 A Y < + 0 0 3 -3,-2.6 -1,-0.1 1,-0.2 13,-0.0 -0.710 41.3 166.2 -83.6 105.6 21.9 -21.9 3.7 62 78 A R - 0 0 170 -2,-1.2 -35,-0.3 2,-0.0 -1,-0.2 0.509 37.2-138.3 -97.1 -7.5 24.2 -24.9 3.9 63 79 A A - 0 0 1 1,-0.2 -36,-3.0 -3,-0.1 2,-0.2 0.876 33.0-178.9 58.4 46.3 26.7 -23.2 6.2 64 80 A T > - 0 0 55 -38,-0.2 3,-0.6 1,-0.1 4,-0.5 -0.503 32.8-130.6 -83.3 147.1 29.7 -24.7 4.4 65 81 A L G > S+ 0 0 122 1,-0.2 3,-1.6 -2,-0.2 4,-0.3 0.915 104.2 58.1 -56.9 -43.4 33.2 -23.9 5.6 66 82 A G G > S+ 0 0 53 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.855 91.9 68.0 -62.3 -29.4 34.5 -22.9 2.2 67 83 A D G X S+ 0 0 40 -3,-0.6 3,-1.4 1,-0.3 -1,-0.3 0.740 80.4 77.8 -70.0 -10.8 31.9 -20.2 1.7 68 84 A N G < S+ 0 0 18 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.780 89.7 58.2 -58.5 -25.3 33.5 -18.2 4.5 69 85 A A G < S+ 0 0 83 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.573 82.0 105.1 -84.5 -6.1 36.2 -17.3 1.9 70 86 A L S X S- 0 0 69 -3,-1.4 3,-2.4 -4,-0.3 5,-0.1 -0.313 92.1 -96.6 -70.9 157.3 33.6 -15.7 -0.5 71 87 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.798 121.9 35.9 -49.3 -40.9 33.7 -11.9 -0.6 72 88 A R T 3 S- 0 0 83 2,-0.5 40,-0.2 37,-0.0 3,-0.1 0.244 119.2-102.6 -98.3 10.9 30.9 -11.2 1.9 73 89 A G S < S+ 0 0 0 -3,-2.4 2,-0.3 1,-0.2 36,-0.2 0.521 97.3 42.8 84.8 6.5 31.7 -14.2 4.1 74 90 A T S S- 0 0 4 34,-0.2 -2,-0.5 -6,-0.1 -1,-0.2 -0.918 93.7 -75.7-163.8 178.7 28.9 -16.4 2.8 75 91 A S > - 0 0 19 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.518 29.8-124.9 -87.8 155.7 27.2 -17.4 -0.5 76 92 A S H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.856 112.7 58.6 -61.1 -34.4 24.8 -15.4 -2.4 77 93 A A H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.880 105.1 50.1 -63.6 -37.8 22.3 -18.2 -2.3 78 94 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 109.5 50.8 -66.3 -40.5 22.4 -18.0 1.6 79 95 A I H X S+ 0 0 6 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.932 108.6 51.6 -61.4 -45.1 21.8 -14.3 1.5 80 96 A R H X S+ 0 0 158 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.896 108.9 52.8 -59.7 -37.8 18.8 -14.8 -0.8 81 97 A E H X S+ 0 0 61 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.965 111.5 42.7 -61.3 -50.2 17.4 -17.4 1.6 82 98 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.891 113.0 53.6 -68.4 -36.4 17.6 -15.1 4.7 83 99 A L H X S+ 0 0 25 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.919 107.2 52.4 -57.8 -43.0 16.3 -12.1 2.6 84 100 A G H X S+ 0 0 30 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.853 107.8 51.6 -62.2 -33.7 13.3 -14.3 1.6 85 101 A L H X S+ 0 0 6 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.917 108.9 49.3 -72.2 -39.4 12.7 -15.1 5.3 86 102 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.924 113.5 48.1 -60.6 -40.7 12.7 -11.4 6.3 87 103 A Q H X S+ 0 0 86 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.918 109.0 52.7 -66.2 -38.4 10.2 -10.8 3.4 88 104 A Q H X S+ 0 0 57 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.908 109.8 48.6 -62.6 -42.8 8.1 -13.7 4.5 89 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 7,-0.3 0.931 112.9 48.0 -61.4 -43.8 7.9 -12.2 8.0 90 106 A N H < S+ 0 0 45 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.859 118.0 41.4 -64.6 -38.1 7.0 -8.8 6.7 91 107 A T H < S+ 0 0 108 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.908 121.0 38.7 -77.6 -45.6 4.3 -10.2 4.3 92 108 A K H < S+ 0 0 41 -4,-3.1 -77,-0.2 1,-0.2 -2,-0.2 0.860 132.3 24.2 -72.6 -37.9 2.7 -12.8 6.7 93 109 A a >< + 0 0 3 -4,-2.5 3,-1.9 -5,-0.3 -1,-0.2 -0.653 64.8 172.1-133.3 70.7 2.9 -10.6 9.8 94 110 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.709 81.6 47.8 -54.7 -25.0 3.0 -6.9 8.9 95 111 A D T 3 S+ 0 0 143 2,-0.1 2,-0.1 -77,-0.0 -5,-0.1 0.540 86.6 111.6 -96.2 -4.9 2.7 -5.8 12.5 96 112 A A < - 0 0 8 -3,-1.9 2,-0.4 -7,-0.3 -78,-0.2 -0.359 66.9-127.9 -69.6 144.2 5.3 -8.1 14.0 97 113 A T E -c 18 0A 15 -80,-2.8 -78,-2.5 -2,-0.1 2,-0.3 -0.776 28.0-142.2 -82.8 136.4 8.6 -6.6 15.4 98 114 A L E +cd 19 125A 1 26,-2.4 28,-2.5 -2,-0.4 29,-0.6 -0.713 21.2 178.4-101.6 151.8 11.6 -8.4 13.9 99 115 A I E -cd 20 127A 0 -80,-2.4 -78,-2.2 -2,-0.3 2,-0.3 -0.964 9.0-169.9-142.5 156.6 14.9 -9.3 15.6 100 116 A A E +cd 21 128A 0 27,-1.9 29,-2.1 -2,-0.3 2,-0.3 -0.938 9.8 169.2-145.1 165.2 17.8 -11.1 14.1 101 117 A G E -cd 22 129A 0 -80,-1.8 -78,-2.3 -2,-0.3 2,-0.3 -0.991 5.3-174.5-166.6 168.9 21.1 -12.8 14.9 102 118 A G E -cd 23 130A 0 27,-1.6 29,-2.4 -2,-0.3 2,-0.4 -0.951 16.6-137.6-169.1 155.8 23.9 -15.0 13.7 103 119 A Y E > - d 0 131A 16 -80,-1.8 3,-2.4 -2,-0.3 29,-0.2 -0.981 66.8 -42.3-118.2 128.1 27.1 -16.8 14.7 104 120 A S T >> S+ 0 0 12 27,-2.7 4,-1.9 -2,-0.4 3,-1.1 -0.390 139.8 9.7 62.8-123.2 30.3 -16.9 12.7 105 121 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.876 132.7 58.3 -55.3 -32.7 29.4 -17.4 9.0 106 122 A G H <> S+ 0 0 0 -3,-2.4 4,-2.6 2,-0.2 -2,-0.3 0.792 101.6 53.6 -66.9 -28.4 25.8 -16.8 10.2 107 123 A A H <> S+ 0 0 0 -3,-1.1 4,-2.5 24,-0.3 -1,-0.2 0.904 109.4 47.6 -67.6 -43.4 26.9 -13.4 11.5 108 124 A A H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.914 112.7 51.1 -61.3 -38.5 28.3 -12.5 8.1 109 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.941 110.0 47.6 -65.4 -47.6 25.0 -13.8 6.6 110 126 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.911 113.2 49.3 -60.5 -43.9 22.8 -11.7 8.8 111 127 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.907 113.5 44.8 -63.7 -41.9 24.9 -8.6 8.1 112 128 A A H X S+ 0 0 4 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.880 113.9 49.0 -69.3 -38.7 24.8 -9.1 4.4 113 129 A S H X S+ 0 0 0 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.937 112.2 48.1 -66.7 -42.4 21.1 -9.8 4.3 114 130 A I H >< S+ 0 0 0 -4,-2.5 3,-0.6 -5,-0.3 -2,-0.2 0.918 110.4 52.9 -62.3 -41.7 20.3 -6.8 6.4 115 131 A E H 3< S+ 0 0 64 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.894 111.0 48.0 -56.0 -39.5 22.5 -4.6 4.2 116 132 A D H 3< S+ 0 0 72 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.557 91.9 100.2 -86.4 -9.4 20.6 -5.9 1.1 117 133 A L S << S- 0 0 9 -4,-1.0 2,-0.2 -3,-0.6 -3,-0.0 -0.249 78.9-106.2 -67.0 160.1 17.1 -5.3 2.5 118 134 A D > - 0 0 73 1,-0.1 4,-2.6 4,-0.0 3,-0.2 -0.480 34.8-110.2 -74.8 160.3 14.9 -2.4 1.6 119 135 A S H > S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.852 112.4 64.9 -65.0 -35.6 14.5 0.2 4.4 120 136 A A H 4 S+ 0 0 63 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.924 113.7 31.4 -59.4 -44.8 10.8 -0.6 5.1 121 137 A I H >4 S+ 0 0 6 -3,-0.2 3,-1.5 2,-0.2 4,-0.4 0.920 117.0 56.5 -80.0 -39.6 11.7 -4.1 6.3 122 138 A R H >< S+ 0 0 23 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.891 102.1 56.6 -57.6 -37.7 15.1 -3.2 7.7 123 139 A D T 3< S+ 0 0 89 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.668 98.0 63.2 -71.6 -15.5 13.5 -0.6 9.9 124 140 A K T < S+ 0 0 56 -3,-1.5 -26,-2.4 -4,-0.4 2,-1.1 0.554 79.3 93.0 -76.8 -9.8 11.3 -3.3 11.4 125 141 A I E < -d 98 0A 0 -3,-2.0 -26,-0.2 -4,-0.4 3,-0.1 -0.707 58.1-172.9 -90.5 99.9 14.3 -5.1 12.8 126 142 A A E - 0 0 8 -28,-2.5 2,-0.3 -2,-1.1 -1,-0.2 0.829 64.0 -4.8 -69.8 -26.7 14.5 -3.6 16.2 127 143 A G E -d 99 0A 0 -29,-0.6 -27,-1.9 -3,-0.1 2,-0.4 -0.980 55.7-158.6-164.8 154.6 17.8 -5.3 17.1 128 144 A T E -de 100 151A 0 22,-2.3 24,-2.2 -2,-0.3 2,-0.4 -0.998 8.1-156.6-137.6 133.1 20.4 -7.7 15.8 129 145 A V E -de 101 152A 0 -29,-2.1 -27,-1.6 -2,-0.4 2,-0.4 -0.938 8.4-168.9-113.7 133.1 23.0 -9.7 17.8 130 146 A L E -de 102 153A 0 22,-2.4 24,-3.5 -2,-0.4 2,-0.4 -0.971 1.6-166.1-120.3 133.2 26.2 -11.1 16.1 131 147 A F E S-de 103 154A 0 -29,-2.4 -27,-2.7 -2,-0.4 -24,-0.3 -0.985 75.6 -1.8-117.3 134.2 28.6 -13.6 17.7 132 148 A G S S- 0 0 0 22,-2.7 2,-0.7 -2,-0.4 -25,-0.2 0.965 84.7-155.6 56.4 50.7 32.1 -14.2 16.4 133 149 A Y > - 0 0 0 21,-0.3 3,-2.0 -3,-0.2 4,-0.3 -0.534 11.4-161.0 -72.7 109.1 31.4 -11.8 13.6 134 150 A T T 3 S+ 0 0 5 -2,-0.7 4,-0.2 -30,-0.6 -1,-0.2 0.610 91.3 45.6 -71.2 -13.5 33.7 -12.8 10.8 135 151 A K T 3> S+ 0 0 42 -31,-0.2 4,-2.7 1,-0.1 6,-0.3 0.083 78.1 114.6-113.0 25.3 33.4 -9.3 9.1 136 152 A N T <4>S+ 0 0 33 -3,-2.0 5,-2.5 25,-0.3 6,-0.2 0.936 83.2 36.6 -57.3 -52.4 33.8 -7.3 12.3 137 153 A L T >45S+ 0 0 101 24,-0.3 3,-1.3 -4,-0.3 -1,-0.2 0.953 117.4 52.2 -66.2 -46.3 37.1 -5.7 11.3 138 154 A Q T 345S+ 0 0 87 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.845 118.8 35.9 -60.3 -36.0 36.1 -5.4 7.6 139 155 A N T ><5S- 0 0 54 -4,-2.7 3,-1.7 3,-0.1 -1,-0.3 0.221 110.8-117.8-103.4 12.8 32.9 -3.6 8.5 140 156 A R T < 5S- 0 0 202 -3,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.853 71.6 -54.4 52.6 43.0 34.2 -1.7 11.5 141 157 A G T 3 - 0 0 0 3,-0.4 3,-2.0 -2,-0.2 -31,-0.1 -0.977 47.4-108.7-100.3 120.6 26.2 -4.0 9.9 144 160 A P T 3 S+ 0 0 29 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.258 99.2 8.3 -53.4 136.9 26.1 -1.9 6.6 145 161 A N T 3 S+ 0 0 107 1,-0.2 -23,-0.0 -29,-0.1 0, 0.0 0.422 110.8 101.5 74.2 7.7 23.0 0.2 6.2 146 162 A Y S < S- 0 0 2 -3,-2.0 -3,-0.4 -35,-0.0 -1,-0.2 -0.948 77.9-102.7-127.1 140.0 21.9 -0.5 9.8 147 163 A P > - 0 0 46 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.293 16.5-134.3 -68.2 143.8 22.2 1.7 12.9 148 164 A A G > S+ 0 0 54 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.848 104.6 63.3 -57.7 -34.8 24.9 1.0 15.5 149 165 A D G 3 S+ 0 0 110 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.648 104.1 47.0 -73.3 -9.0 22.3 1.4 18.3 150 166 A R G < S+ 0 0 62 -3,-1.5 -22,-2.3 -23,-0.1 2,-0.4 0.379 101.7 83.9-101.0 1.2 20.4 -1.6 17.0 151 167 A T E < -e 128 0A 19 -3,-1.8 2,-0.4 -4,-0.3 -22,-0.2 -0.872 50.0-178.1-108.5 133.9 23.5 -3.7 16.7 152 168 A K E -e 129 0A 81 -24,-2.2 -22,-2.4 -2,-0.4 2,-0.5 -0.934 9.4-166.5-134.2 112.8 25.3 -5.7 19.4 153 169 A V E -e 130 0A 39 -2,-0.4 2,-0.8 -24,-0.2 -22,-0.2 -0.868 9.0-159.2 -96.9 123.4 28.4 -7.6 18.4 154 170 A F E +e 131 0A 19 -24,-3.5 -22,-2.7 -2,-0.5 2,-0.5 -0.914 27.6 158.0 -97.7 101.9 29.9 -10.2 20.8 155 171 A b - 0 0 39 -2,-0.8 3,-0.1 -24,-0.2 17,-0.1 -0.906 29.9-147.0-130.3 96.8 33.5 -10.5 19.6 156 172 A K > - 0 0 74 -2,-0.5 3,-2.5 15,-0.2 6,-0.2 -0.270 27.8 -94.8 -66.9 145.6 35.6 -11.9 22.4 157 173 A T T 3 S+ 0 0 142 1,-0.3 -1,-0.1 14,-0.1 3,-0.1 -0.418 116.2 24.1 -51.2 131.2 39.2 -10.9 23.0 158 174 A G T 3 S+ 0 0 43 1,-0.2 2,-1.3 -2,-0.1 -1,-0.3 0.401 82.8 129.1 86.1 -3.7 41.3 -13.5 21.1 159 175 A D X - 0 0 2 -3,-2.5 3,-2.1 12,-0.2 -1,-0.2 -0.728 43.2-166.0 -83.0 98.8 38.6 -14.4 18.7 160 176 A L G > >S+ 0 0 62 -2,-1.3 5,-2.1 1,-0.3 3,-1.3 0.700 78.5 70.2 -65.9 -17.4 40.7 -14.0 15.6 161 177 A V G > 5S+ 0 0 3 6,-0.3 3,-0.7 1,-0.2 -25,-0.3 0.749 95.4 57.4 -70.6 -17.4 37.7 -14.0 13.2 162 178 A b G < 5S+ 0 0 4 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.463 104.4 52.4 -84.6 -4.8 36.8 -10.6 14.7 163 179 A T G < 5S- 0 0 92 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.1 -0.172 132.7 -80.0-124.4 32.4 40.2 -9.2 13.7 164 180 A G T < 5S+ 0 0 36 -3,-0.7 -3,-0.2 1,-0.3 2,-0.2 0.440 95.9 110.4 93.0 1.4 40.2 -10.2 10.0 165 181 A S < - 0 0 37 -5,-2.1 -1,-0.3 2,-0.1 -2,-0.1 -0.475 59.3-146.9-101.8 173.2 41.2 -13.9 10.3 166 182 A L + 0 0 95 -2,-0.2 2,-0.3 -3,-0.1 -5,-0.1 0.313 60.5 122.3-114.7 0.6 39.4 -17.2 9.7 167 183 A I - 0 0 105 -7,-0.1 2,-0.7 1,-0.1 -6,-0.3 -0.549 56.0-144.3 -64.4 130.4 41.4 -19.0 12.4 168 184 A V + 0 0 82 -2,-0.3 2,-0.2 -8,-0.1 -9,-0.1 -0.876 27.5 172.9 -98.8 110.1 38.9 -20.5 15.0 169 185 A A >> - 0 0 32 -2,-0.7 3,-1.6 -11,-0.1 4,-0.6 -0.585 49.7 -84.0-109.9 173.3 40.5 -20.3 18.5 170 186 A A G >4 S+ 0 0 75 1,-0.3 3,-1.7 -2,-0.2 4,-0.2 0.834 122.9 60.2 -54.0 -39.9 39.0 -21.0 21.8 171 187 A P G >4 S+ 0 0 36 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.848 99.0 59.9 -60.0 -28.0 37.3 -17.6 22.4 172 188 A H G <4 S+ 0 0 5 -3,-1.6 3,-0.3 1,-0.3 -2,-0.2 0.724 105.7 48.9 -64.6 -22.3 35.3 -18.2 19.2 173 189 A L G << S+ 0 0 118 -3,-1.7 3,-0.3 -4,-0.6 -1,-0.3 0.260 96.3 76.1 -97.5 4.3 33.8 -21.3 20.8 174 190 A A < + 0 0 41 -3,-1.4 4,-0.3 -4,-0.2 -1,-0.2 0.038 54.3 106.5-112.6 26.2 32.9 -19.5 24.1 175 191 A Y > + 0 0 2 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.425 48.2 101.5 -87.5 3.9 29.8 -17.5 23.2 176 192 A G H > S+ 0 0 20 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.926 81.3 47.2 -55.0 -51.3 27.4 -19.8 25.1 177 193 A P H > S+ 0 0 74 0, 0.0 4,-0.9 0, 0.0 3,-0.2 0.912 111.5 51.7 -58.4 -40.3 27.0 -17.5 28.1 178 194 A D H >4>S+ 0 0 28 -4,-0.3 5,-2.6 1,-0.2 3,-0.8 0.917 108.9 51.1 -62.2 -39.7 26.4 -14.5 25.9 179 195 A A H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -137,-0.2 0.785 112.0 47.2 -68.1 -26.4 23.7 -16.4 24.0 180 196 A R H 3<5S+ 0 0 145 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.600 131.7 3.4 -85.8 -12.7 22.0 -17.4 27.3 181 197 A G T 5S+ 0 0 50 0, 0.0 4,-2.0 0, 0.0 -3,-0.1 0.806 115.2 54.8 -59.9 -31.8 23.3 -10.5 27.3 183 199 A A H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.926 114.5 59.4 -60.4 -32.7 18.7 -12.1 24.3 185 201 A E H X S+ 0 0 111 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.910 106.2 47.6 -58.1 -42.0 18.6 -9.4 27.0 186 202 A F H X S+ 0 0 24 -4,-2.0 4,-2.2 -3,-0.2 -1,-0.2 0.936 112.2 48.5 -63.2 -45.9 19.6 -6.8 24.3 187 203 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.918 111.5 50.3 -61.0 -42.7 17.0 -8.1 21.8 188 204 A I H X S+ 0 0 12 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.928 108.5 51.9 -64.2 -39.1 14.3 -8.0 24.5 189 205 A E H X S+ 0 0 117 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.920 111.4 47.2 -62.5 -39.4 15.1 -4.4 25.5 190 206 A K H X S+ 0 0 44 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.922 113.2 47.7 -68.6 -39.3 14.9 -3.3 21.9 191 207 A V H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 3,-0.4 0.952 112.2 49.9 -67.5 -42.8 11.6 -5.1 21.3 192 208 A R H < S+ 0 0 151 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 107.2 54.7 -62.2 -36.0 10.1 -3.6 24.5 193 209 A A H < S+ 0 0 86 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.851 115.2 38.9 -67.3 -33.3 11.2 -0.1 23.6 194 210 A V H < 0 0 85 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.894 360.0 360.0 -84.8 -34.7 9.4 -0.3 20.3 195 211 A R < 0 0 132 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.676 360.0 360.0 -94.1 360.0 6.2 -2.2 21.3