==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-11 3QPC . COMPND 2 MOLECULE: CUTINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM SOLANI; . AUTHOR A.LU,Y.GOSSER,J.K.MONTCLARE,Z.LIU,X.KONG . 197 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 13.2 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 . 32 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 28.9 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 0 1 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 16 A G 0 0 86 0, 0.0 38,-0.1 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 -59.6 1.4 10.4 17.0 2 17 A R - 0 0 145 36,-0.1 3,-0.0 1,-0.1 0, 0.0 -0.231 360.0-158.2 -61.4 129.9 3.7 10.1 14.1 3 18 A T S S+ 0 0 55 1,-0.1 30,-2.3 30,-0.1 29,-1.7 0.538 78.6 56.8 -89.3 -6.2 2.0 10.4 10.7 4 19 A T + 0 0 70 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.992 62.2 167.3-123.7 124.2 4.7 8.5 8.8 5 20 A R + 0 0 11 -2,-0.4 52,-2.5 49,-0.0 3,-0.1 -0.997 13.8 166.7-135.3 131.2 5.7 5.0 9.8 6 21 A D B > +A 56 0A 57 -2,-0.4 4,-1.6 50,-0.2 50,-0.2 -0.324 23.7 143.4-132.4 45.7 7.8 2.6 7.7 7 22 A D T 4 S+ 0 0 27 48,-2.5 49,-0.2 1,-0.2 -1,-0.1 0.799 73.8 45.9 -65.7 -32.3 8.6 -0.0 10.3 8 23 A L T >4 S+ 0 0 0 2,-0.2 3,-3.0 47,-0.2 -1,-0.2 0.929 108.4 52.3 -72.3 -52.4 8.4 -2.9 7.7 9 24 A I T 34 S+ 0 0 67 1,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.843 120.2 39.0 -55.5 -26.4 10.4 -1.3 5.0 10 25 A N T 3< S+ 0 0 132 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.142 94.9 132.4-106.5 23.0 13.0 -0.8 7.7 11 26 A G < - 0 0 6 -3,-3.0 2,-0.9 1,-0.1 5,-0.1 -0.440 58.9-125.1 -86.3 141.6 12.4 -4.1 9.4 12 27 A N > - 0 0 89 3,-0.3 3,-2.0 -2,-0.2 -1,-0.1 -0.752 15.0-162.4 -84.5 107.5 15.0 -6.6 10.5 13 28 A S T 3 S+ 0 0 69 -2,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.649 90.6 59.2 -64.6 -16.3 14.2 -9.9 8.9 14 29 A A T 3 S+ 0 0 95 1,-0.2 -1,-0.3 80,-0.0 -2,-0.1 0.472 121.1 25.4 -88.7 -4.8 16.5 -11.7 11.5 15 30 A S S < S- 0 0 77 -3,-2.0 -3,-0.3 2,-0.0 -1,-0.2 -0.256 87.7-178.3-148.8 52.1 14.4 -10.3 14.3 16 31 A a - 0 0 35 -3,-0.4 2,-0.1 77,-0.1 -3,-0.1 -0.179 33.3-111.3 -50.7 140.5 10.9 -9.7 12.7 17 32 A A - 0 0 3 1,-0.1 35,-0.2 2,-0.1 36,-0.1 -0.465 25.2-126.3 -61.1 156.1 8.2 -8.3 14.9 18 33 A D S S+ 0 0 91 33,-0.2 80,-2.8 34,-0.2 2,-0.4 0.705 94.3 41.5 -75.5 -19.3 5.5 -11.0 15.5 19 34 A V E -bc 53 98A 2 33,-0.7 35,-2.4 78,-0.2 2,-0.4 -0.992 65.6-168.7-133.5 134.7 2.8 -8.6 14.1 20 35 A I E -bc 54 99A 0 78,-2.2 80,-2.3 -2,-0.4 2,-0.5 -0.996 6.6-160.5-128.2 124.6 2.9 -6.3 11.1 21 36 A F E -bc 55 100A 0 33,-3.0 35,-2.8 -2,-0.4 2,-0.5 -0.928 3.1-167.6-109.1 122.7 0.1 -3.7 10.6 22 37 A I E -bc 56 101A 0 78,-2.4 80,-1.8 -2,-0.5 2,-0.4 -0.959 13.2-176.6-115.7 122.1 -0.3 -2.2 7.1 23 38 A Y E -bc 57 102A 0 33,-2.0 35,-2.2 -2,-0.5 2,-0.5 -0.979 18.1-153.6-132.3 132.6 -2.6 0.9 6.9 24 39 A A E - c 0 103A 0 78,-2.4 80,-1.8 -2,-0.4 83,-0.1 -0.898 19.5-141.9-109.2 123.6 -3.9 3.1 4.1 25 40 A R - 0 0 23 -2,-0.5 82,-0.2 7,-0.4 9,-0.1 -0.112 23.2 -96.2 -75.8 169.6 -4.9 6.7 4.9 26 41 A G > - 0 0 0 80,-0.2 3,-1.9 1,-0.2 79,-0.1 -0.365 55.3 -66.4 -80.3 167.7 -7.8 8.7 3.5 27 42 A S T 3 S+ 0 0 9 1,-0.3 38,-0.2 77,-0.1 -1,-0.2 -0.266 119.4 6.5 -53.7 135.7 -7.8 11.1 0.5 28 43 A T T 3 S+ 0 0 112 36,-2.6 -1,-0.3 35,-0.3 37,-0.1 0.446 95.5 144.0 75.5 -0.3 -5.7 14.2 1.1 29 44 A E < - 0 0 29 -3,-1.9 -1,-0.2 35,-0.1 2,-0.1 -0.377 49.6-104.5 -81.5 157.4 -4.3 13.0 4.4 30 45 A T S >> S- 0 0 88 -3,-0.1 4,-2.1 -2,-0.1 3,-0.5 -0.322 73.6 -13.2 -80.5 154.9 -0.8 13.6 5.6 31 46 A G T 34 S- 0 0 32 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.230 104.4 -61.4 62.9-146.4 2.1 11.3 5.7 32 47 A N T 34 S+ 0 0 5 -29,-1.7 26,-0.8 2,-0.1 -7,-0.4 0.374 134.8 43.4-113.1 4.9 1.3 7.6 5.2 33 48 A L T <> S- 0 0 0 -30,-2.3 4,-1.7 -3,-0.5 3,-0.5 0.564 80.9-175.5-118.6 -20.2 -1.0 7.2 8.3 34 49 A G T < - 0 0 2 -4,-2.1 -1,-0.1 -31,-0.6 -2,-0.1 -0.181 56.4 -29.2 57.5-144.1 -3.2 10.3 8.2 35 50 A T T 4 S+ 0 0 91 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.759 137.7 30.4 -81.3 -33.8 -5.7 11.1 11.0 36 51 A L T > S+ 0 0 9 -3,-0.5 4,-2.1 2,-0.1 3,-0.5 0.765 102.5 73.0-100.3 -34.0 -6.6 7.6 12.2 37 52 A G H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.876 94.5 51.5 -54.8 -43.5 -3.6 5.5 11.6 38 53 A P H > S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.855 109.4 51.6 -66.6 -31.4 -1.4 6.9 14.4 39 54 A S H > S+ 0 0 32 -3,-0.5 4,-1.7 -4,-0.2 -2,-0.2 0.913 111.3 46.3 -69.1 -42.7 -4.1 6.3 17.0 40 55 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.956 113.8 51.5 -60.3 -45.9 -4.5 2.7 15.9 41 56 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.891 106.7 50.1 -59.6 -46.9 -0.8 2.4 16.0 42 57 A S H X S+ 0 0 48 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.883 112.4 48.9 -64.9 -35.3 -0.2 3.7 19.5 43 58 A N H X S+ 0 0 54 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.903 109.9 50.5 -69.9 -39.2 -2.9 1.4 20.8 44 59 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.899 110.2 51.3 -60.2 -42.3 -1.4 -1.6 19.1 45 60 A E H X S+ 0 0 39 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.881 105.9 55.0 -63.9 -36.8 2.0 -0.6 20.6 46 61 A S H < S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.0 38.8 -59.5 -38.1 0.4 -0.4 24.1 47 62 A A H < S+ 0 0 56 -4,-1.5 -2,-0.2 -3,-0.1 -1,-0.2 0.874 129.5 26.3 -81.1 -43.6 -0.8 -4.0 23.7 48 63 A F H < S- 0 0 52 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.580 108.8-111.8 -96.8 -14.1 2.1 -5.7 21.9 49 64 A G >X - 0 0 35 -4,-2.1 3,-1.4 -5,-0.3 4,-0.5 0.126 36.5 -82.8 84.8 151.0 5.0 -3.5 23.1 50 65 A K G >4 S+ 0 0 86 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.880 133.9 43.8 -54.6 -40.2 6.9 -1.2 20.7 51 66 A D G 34 S+ 0 0 144 1,-0.2 -1,-0.3 -6,-0.1 -33,-0.2 0.504 103.4 68.2 -86.7 -0.0 9.1 -4.1 19.5 52 67 A G G <4 S+ 0 0 18 -3,-1.4 -33,-0.7 1,-0.2 2,-0.3 0.502 103.4 38.0 -93.8 -7.7 6.1 -6.5 19.2 53 68 A V E << - b 0 19A 0 -3,-0.7 2,-0.5 -4,-0.5 -33,-0.2 -0.993 65.0-147.9-146.9 136.9 4.4 -4.8 16.3 54 69 A W E - b 0 20A 28 -35,-2.4 -33,-3.0 -2,-0.3 2,-0.5 -0.938 15.2-150.7-103.3 128.6 5.7 -3.0 13.1 55 70 A I E + b 0 21A 0 -2,-0.5 -48,-2.5 -35,-0.2 2,-0.4 -0.887 18.1 177.8-102.3 123.0 3.6 -0.2 11.9 56 71 A Q E -Ab 6 22A 2 -35,-2.8 -33,-2.0 -2,-0.5 -50,-0.2 -0.944 12.2-158.5-133.6 109.0 3.7 0.4 8.1 57 72 A G E - b 0 23A 0 -52,-2.5 2,-1.1 -2,-0.4 -33,-0.2 -0.464 31.2-108.5 -77.1 158.2 1.7 3.0 6.3 58 73 A V + 0 0 0 -35,-2.2 -33,-0.3 -26,-0.8 25,-0.1 -0.769 63.1 141.1 -90.4 99.6 0.9 2.8 2.6 59 74 A G > + 0 0 15 -2,-1.1 3,-2.6 23,-0.1 -1,-0.1 0.228 30.4 70.9-106.3-128.7 3.2 5.4 1.1 60 75 A G T 3 S+ 0 0 68 1,-0.3 19,-0.1 3,-0.1 -2,-0.0 -0.232 117.8 1.7 52.4-124.7 5.1 5.3 -2.1 61 76 A A T 3 S+ 0 0 43 17,-0.2 2,-1.2 18,-0.1 -1,-0.3 0.472 104.9 103.0 -77.6 -3.0 2.8 5.4 -5.1 62 77 A Y < + 0 0 4 -3,-2.6 -1,-0.1 1,-0.2 17,-0.0 -0.715 42.7 170.6 -82.7 101.4 -0.3 5.8 -3.0 63 78 A R - 0 0 205 -2,-1.2 -35,-0.3 2,-0.1 -1,-0.2 0.506 37.4-134.4 -90.1 -7.0 -1.0 9.5 -3.4 64 79 A A - 0 0 3 1,-0.2 -36,-2.6 -37,-0.1 2,-0.3 0.906 34.2-173.5 52.7 49.2 -4.5 9.4 -1.8 65 80 A T > - 0 0 59 -38,-0.2 3,-1.3 1,-0.1 4,-0.4 -0.604 25.5-139.7 -78.8 127.5 -5.9 11.6 -4.6 66 81 A L G > S+ 0 0 99 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.896 101.0 55.1 -56.7 -42.5 -9.4 12.7 -4.1 67 82 A G G > S+ 0 0 51 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.753 91.4 73.3 -66.2 -20.7 -10.4 12.2 -7.7 68 83 A D G X S+ 0 0 37 -3,-1.3 3,-1.6 1,-0.3 -1,-0.3 0.657 77.5 77.0 -70.1 -12.9 -9.3 8.5 -7.6 69 84 A N G < S+ 0 0 4 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.764 88.6 60.9 -60.1 -22.7 -12.3 7.7 -5.4 70 85 A A G < S+ 0 0 82 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.466 81.9 103.3 -85.6 -3.9 -14.2 7.9 -8.8 71 86 A L S X S- 0 0 67 -3,-1.6 3,-1.9 -4,-0.1 5,-0.1 -0.338 92.6 -95.4 -76.5 162.8 -12.2 5.1 -10.3 72 87 A P T 3 S+ 0 0 122 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.817 123.6 30.8 -55.8 -41.2 -13.9 1.6 -10.5 73 88 A R T 3 S- 0 0 79 2,-0.5 40,-0.2 37,-0.0 3,-0.1 0.233 119.8-102.4-101.9 13.5 -12.6 0.1 -7.2 74 89 A G S < S+ 0 0 0 -3,-1.9 2,-0.3 1,-0.2 36,-0.2 0.617 97.0 48.2 80.6 12.2 -12.4 3.5 -5.5 75 90 A T S S- 0 0 5 34,-0.2 -2,-0.5 -6,-0.1 -1,-0.2 -0.923 90.1 -80.0-162.2 179.7 -8.6 4.0 -5.9 76 91 A S > - 0 0 22 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.563 27.7-121.0 -91.9 159.4 -5.9 3.7 -8.6 77 92 A S H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 115.2 55.7 -59.1 -39.6 -4.1 0.7 -10.0 78 93 A A H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 107.1 49.1 -63.4 -40.1 -0.8 2.2 -8.9 79 94 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.910 109.6 51.6 -64.1 -45.1 -2.1 2.4 -5.3 80 95 A I H X S+ 0 0 8 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.925 108.3 51.9 -58.1 -43.6 -3.2 -1.2 -5.4 81 96 A R H X S+ 0 0 161 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.896 109.2 51.4 -59.7 -41.2 0.2 -2.3 -6.6 82 97 A E H X S+ 0 0 51 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.951 113.6 41.6 -60.9 -51.2 1.8 -0.4 -3.8 83 98 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 3,-0.3 0.924 114.1 51.8 -68.6 -40.2 -0.3 -2.0 -1.1 84 99 A L H X S+ 0 0 26 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.922 108.2 54.1 -54.1 -45.6 -0.1 -5.4 -2.6 85 100 A G H X S+ 0 0 15 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.810 106.5 50.8 -62.0 -32.9 3.7 -4.9 -2.7 86 101 A L H X S+ 0 0 1 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.901 109.7 48.9 -74.4 -40.5 3.7 -4.1 1.1 87 102 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.924 114.2 47.7 -59.0 -43.4 1.7 -7.3 1.9 88 103 A Q H X S+ 0 0 88 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.925 111.7 48.8 -64.3 -44.5 4.2 -9.2 -0.2 89 104 A Q H X S+ 0 0 88 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.856 110.2 53.1 -63.3 -34.1 7.2 -7.6 1.4 90 105 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 7,-0.2 0.951 112.6 42.7 -65.4 -46.8 5.8 -8.3 4.8 91 106 A N H < S+ 0 0 32 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.874 118.4 45.4 -73.3 -30.1 5.3 -11.9 4.1 92 107 A T H < S+ 0 0 115 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.940 119.3 38.5 -73.7 -47.7 8.7 -12.2 2.3 93 108 A K H < S+ 0 0 60 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.875 133.4 25.7 -71.0 -37.2 10.8 -10.3 4.9 94 109 A a >< + 0 0 0 -4,-2.4 3,-1.3 -5,-0.4 -1,-0.3 -0.706 63.6 169.5-132.2 80.7 8.8 -11.9 7.8 95 110 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.690 79.6 50.6 -68.0 -18.9 7.3 -15.1 7.0 96 111 A D T 3 S+ 0 0 136 -79,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.451 87.6 107.4 -97.0 -1.7 6.4 -15.9 10.6 97 112 A A < - 0 0 3 -3,-1.3 2,-0.4 -7,-0.2 -78,-0.2 -0.487 67.1-130.2 -76.9 145.1 4.6 -12.6 11.3 98 113 A T E -c 19 0A 15 -80,-2.8 -78,-2.2 -2,-0.2 2,-0.3 -0.799 27.1-141.7 -87.2 134.1 0.8 -12.3 11.6 99 114 A L E -cd 20 126A 0 26,-2.5 28,-2.5 -2,-0.4 29,-0.6 -0.714 20.0-178.7 -98.0 150.3 -0.5 -9.5 9.4 100 115 A I E -cd 21 128A 0 -80,-2.3 -78,-2.4 -2,-0.3 2,-0.3 -0.968 10.4-167.9-139.3 155.6 -3.3 -7.0 10.3 101 116 A A E +cd 22 129A 0 27,-2.1 29,-2.1 -2,-0.3 2,-0.3 -0.928 10.6 171.2-143.9 162.6 -4.6 -4.2 8.0 102 117 A G E -cd 23 130A 0 -80,-1.8 -78,-2.4 -2,-0.3 2,-0.3 -0.993 4.5-176.4-163.2 167.1 -6.7 -1.2 7.9 103 118 A G E -cd 24 131A 0 27,-1.8 29,-2.4 -2,-0.3 2,-0.4 -0.961 16.1-140.5-167.3 155.2 -7.8 1.8 5.9 104 119 A Y E > - d 0 132A 11 -80,-1.8 3,-2.5 -2,-0.3 29,-0.2 -0.976 67.3 -41.2-119.7 128.4 -10.0 4.9 6.0 105 120 A X T >> S+ 0 0 15 27,-2.7 4,-1.9 -2,-0.4 3,-1.1 -0.361 140.0 9.1 61.8-122.2 -12.1 6.2 3.1 106 121 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.863 132.5 58.6 -53.6 -36.5 -10.1 5.7 -0.1 107 122 A G H <> S+ 0 0 0 -3,-2.5 4,-2.5 2,-0.2 -1,-0.3 0.802 101.9 52.8 -65.0 -29.6 -7.7 3.8 2.0 108 123 A A H <> S+ 0 0 0 -3,-1.1 4,-2.5 24,-0.3 -2,-0.2 0.911 110.3 47.5 -68.6 -44.3 -10.5 1.4 3.0 109 124 A A H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.907 113.1 50.0 -58.2 -41.7 -11.3 0.9 -0.7 110 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.922 109.8 49.2 -65.5 -45.2 -7.5 0.4 -1.3 111 126 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.938 113.2 48.0 -58.2 -44.5 -7.3 -2.2 1.5 112 127 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.914 114.0 44.9 -64.6 -43.5 -10.3 -4.1 0.1 113 128 A A H X S+ 0 0 4 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.897 115.0 47.8 -68.4 -42.7 -9.0 -4.1 -3.5 114 129 A S H X S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.930 113.0 47.7 -64.0 -46.0 -5.5 -5.1 -2.4 115 130 A I H < S+ 0 0 0 -4,-2.6 3,-0.4 -5,-0.3 -2,-0.2 0.917 109.5 54.5 -63.0 -41.2 -6.7 -7.9 -0.2 116 131 A E H < S+ 0 0 63 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.906 114.6 40.2 -54.1 -45.0 -9.0 -9.1 -2.9 117 132 A D H < S+ 0 0 78 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.604 92.5 110.1 -84.6 -14.5 -6.1 -9.4 -5.4 118 133 A L S < S- 0 0 3 -4,-1.3 5,-0.0 -3,-0.4 -34,-0.0 -0.305 83.3 -91.0 -65.0 145.0 -3.5 -10.8 -2.9 119 134 A D >> - 0 0 89 1,-0.1 4,-2.8 2,-0.1 3,-1.2 -0.294 36.2-127.5 -45.9 128.4 -2.3 -14.4 -3.2 120 135 A S H 3> S+ 0 0 77 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.810 107.8 60.4 -55.5 -34.0 -4.6 -16.5 -1.0 121 136 A A H 34 S+ 0 0 54 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.825 112.5 37.6 -65.5 -31.7 -1.5 -17.9 0.9 122 137 A I H X4 S+ 0 0 16 -3,-1.2 3,-1.7 2,-0.2 4,-0.4 0.862 111.8 58.6 -82.6 -40.8 -0.6 -14.4 2.0 123 138 A R H >< S+ 0 0 35 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.871 97.5 62.5 -56.8 -35.1 -4.2 -13.3 2.5 124 139 A D T 3< S+ 0 0 100 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.736 95.1 61.1 -64.7 -22.1 -4.6 -16.1 5.0 125 140 A K T < S+ 0 0 79 -3,-1.7 -26,-2.5 -4,-0.2 2,-1.1 0.560 79.8 94.3 -80.5 -7.9 -1.9 -14.5 7.2 126 141 A I E < -d 99 0A 0 -3,-1.9 -26,-0.2 -4,-0.4 3,-0.1 -0.735 56.6-174.8 -87.2 98.5 -4.0 -11.3 7.6 127 142 A A E - 0 0 5 -28,-2.5 2,-0.3 -2,-1.1 -1,-0.2 0.796 62.9 -3.3 -67.0 -31.4 -5.8 -12.1 10.8 128 143 A G E -d 100 0A 0 -29,-0.6 -27,-2.1 -3,-0.1 2,-0.4 -0.977 55.1-159.1-161.5 152.2 -8.0 -9.0 10.8 129 144 A T E -de 101 152A 0 22,-2.5 24,-2.2 -2,-0.3 2,-0.4 -0.998 8.1-156.5-137.2 132.0 -8.8 -5.9 8.8 130 145 A V E -de 102 153A 0 -29,-2.1 -27,-1.8 -2,-0.4 2,-0.4 -0.916 8.2-168.4-110.0 133.5 -10.5 -2.7 10.0 131 146 A L E -de 103 154A 0 22,-2.4 24,-3.1 -2,-0.4 2,-0.4 -0.988 0.5-168.0-122.6 130.3 -12.3 -0.3 7.5 132 147 A F E S-de 104 155A 0 -29,-2.4 -27,-2.7 -2,-0.4 -24,-0.3 -0.972 75.4 -2.4-116.5 133.1 -13.5 3.2 8.5 133 148 A G S S- 0 0 0 22,-2.7 2,-0.6 -2,-0.4 -1,-0.2 0.951 84.9-155.5 57.5 47.5 -15.8 5.2 6.2 134 149 A Y > - 0 0 0 21,-0.3 3,-2.0 -3,-0.2 4,-0.3 -0.459 10.6-160.1 -69.9 109.1 -15.6 2.4 3.6 135 150 A T T 3 S+ 0 0 1 -30,-0.6 4,-0.2 -2,-0.6 -1,-0.2 0.660 91.7 44.9 -69.3 -17.2 -16.4 4.0 0.3 136 151 A K T 3> S+ 0 0 38 -31,-0.2 4,-2.8 1,-0.1 6,-0.3 0.117 79.1 115.2-110.8 23.5 -17.4 0.7 -1.3 137 152 A N T <4>S+ 0 0 36 -3,-2.0 5,-2.4 25,-0.3 6,-0.2 0.917 81.8 36.7 -57.5 -52.5 -19.5 -0.5 1.7 138 153 A L T >45S+ 0 0 102 24,-0.3 3,-1.4 -4,-0.3 -1,-0.2 0.964 119.1 49.2 -66.0 -47.2 -22.8 -0.5 -0.2 139 154 A Q T 345S+ 0 0 71 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.824 118.2 39.1 -64.0 -35.2 -21.4 -1.8 -3.5 140 155 A N T ><5S- 0 0 42 -4,-2.8 3,-1.7 3,-0.1 -1,-0.3 0.231 110.7-118.7-100.6 11.4 -19.4 -4.6 -1.8 141 156 A R T < 5 - 0 0 202 -3,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.823 69.5 -57.6 56.8 36.1 -22.2 -5.4 0.7 142 157 A G T 3 - 0 0 1 3,-0.4 3,-1.8 -2,-0.3 -31,-0.1 -0.968 46.4-110.2-102.0 122.0 -13.9 -7.4 1.3 145 160 A P T 3 S+ 0 0 35 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.229 98.4 10.9 -53.8 141.1 -13.9 -9.7 -1.7 146 161 A N T 3 S+ 0 0 105 1,-0.2 -23,-0.0 -29,-0.1 -3,-0.0 0.566 110.5 100.4 67.6 15.7 -12.2 -13.1 -1.1 147 162 A Y S < S- 0 0 4 -3,-1.8 -3,-0.4 -23,-0.0 -1,-0.2 -0.982 76.4-106.9-136.1 138.1 -11.9 -12.4 2.7 148 163 A P > - 0 0 48 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.301 16.1-130.8 -72.8 148.5 -14.1 -13.7 5.5 149 164 A A G > S+ 0 0 51 1,-0.3 3,-1.7 2,-0.2 -2,-0.0 0.862 105.7 62.8 -58.3 -37.4 -16.6 -11.6 7.4 150 165 A D G 3 S+ 0 0 110 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.676 104.8 46.6 -71.8 -12.4 -15.2 -12.7 10.7 151 166 A R G < S+ 0 0 48 -3,-1.3 -22,-2.5 -23,-0.1 2,-0.4 0.364 102.6 81.4 -99.8 -1.0 -11.9 -11.1 10.0 152 167 A T E < -e 129 0A 16 -3,-1.7 2,-0.4 -4,-0.3 -22,-0.2 -0.891 52.7-176.1-108.1 137.1 -13.4 -7.9 8.7 153 168 A K E -e 130 0A 83 -24,-2.2 -22,-2.4 -2,-0.4 2,-0.5 -0.942 9.6-165.0-133.5 115.7 -14.7 -5.1 10.9 154 169 A V E -e 131 0A 44 -2,-0.4 2,-0.6 -24,-0.2 -22,-0.2 -0.864 7.5-163.5-101.0 128.6 -16.4 -2.2 9.2 155 170 A F E +e 132 0A 17 -24,-3.1 -22,-2.7 -2,-0.5 2,-0.5 -0.941 22.7 160.4-110.9 103.2 -16.9 1.2 10.9 156 171 A b - 0 0 42 -2,-0.6 2,-0.2 -24,-0.2 17,-0.1 -0.963 28.4-144.8-129.2 108.0 -19.6 3.1 8.9 157 172 A N > - 0 0 46 -2,-0.5 3,-2.4 15,-0.2 6,-0.2 -0.467 27.4 -97.2 -74.3 146.9 -21.3 5.8 10.9 158 173 A T T 3 S+ 0 0 141 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.391 114.9 23.4 -57.8 130.5 -24.9 6.8 10.4 159 174 A G T 3 S+ 0 0 41 1,-0.2 2,-1.1 -2,-0.1 -1,-0.3 0.434 82.6 130.0 84.7 0.5 -25.0 9.7 8.0 160 175 A D X - 0 0 1 -3,-2.4 3,-1.9 12,-0.2 4,-0.3 -0.783 44.6-163.1 -84.3 100.0 -21.6 8.9 6.5 161 176 A L G > >S+ 0 0 61 -2,-1.1 5,-1.9 1,-0.3 3,-1.1 0.682 79.3 68.7 -65.2 -19.1 -22.8 9.2 2.9 162 177 A V G > 5S+ 0 0 0 6,-0.3 3,-0.6 1,-0.2 -25,-0.3 0.721 94.9 57.9 -72.3 -19.0 -19.8 7.3 1.5 163 178 A b G < 5S+ 0 0 5 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.526 103.6 52.8 -83.9 -9.2 -21.0 4.1 3.1 164 179 A T G < 5S- 0 0 97 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 -0.021 130.9 -77.8-122.0 30.8 -24.4 4.3 1.3 165 180 A G T < 5S+ 0 0 34 -3,-0.6 2,-0.2 1,-0.3 -3,-0.2 0.433 97.4 93.6 100.8 0.9 -23.1 4.6 -2.2 166 181 A S < - 0 0 44 -5,-1.9 -1,-0.3 2,-0.1 -2,-0.1 -0.539 65.4-133.4-115.5-178.3 -22.0 8.2 -2.7 167 182 A L + 0 0 74 -2,-0.2 2,-0.3 -3,-0.1 -5,-0.1 0.204 60.8 126.9-117.9 16.1 -18.8 10.2 -2.5 168 183 A I - 0 0 102 -7,-0.2 2,-0.5 1,-0.1 -6,-0.3 -0.578 53.9-138.1 -76.4 130.0 -20.2 13.1 -0.5 169 184 A V + 0 0 72 -2,-0.3 2,-0.3 -8,-0.1 -9,-0.1 -0.780 29.2 169.9 -89.7 125.5 -18.3 13.9 2.7 170 185 A A > - 0 0 31 -2,-0.5 3,-2.2 -11,-0.0 4,-0.5 -0.835 49.9 -88.6-127.1 169.7 -20.4 14.8 5.7 171 186 A A G > S+ 0 0 76 1,-0.3 3,-1.9 -2,-0.3 4,-0.1 0.806 120.2 61.2 -54.0 -39.4 -19.6 15.2 9.4 172 187 A P G > S+ 0 0 36 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.793 95.3 64.0 -60.9 -22.9 -20.0 11.5 10.4 173 188 A H G < S+ 0 0 0 -3,-2.2 3,-0.3 -14,-0.3 -2,-0.2 0.713 102.9 49.2 -69.2 -18.9 -17.2 10.7 8.0 174 189 A L G < S+ 0 0 124 -3,-1.9 3,-0.3 -4,-0.5 -1,-0.3 0.246 94.2 80.3-100.6 11.1 -14.9 12.8 10.2 175 190 A A < + 0 0 47 -3,-1.3 4,-0.2 1,-0.2 -1,-0.2 -0.159 52.9 104.1-116.6 37.2 -16.0 11.1 13.4 176 191 A Y > + 0 0 2 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.457 48.8 99.8 -95.9 -1.0 -14.0 7.8 13.4 177 192 A G H > S+ 0 0 15 -3,-0.3 4,-1.7 1,-0.2 5,-0.2 0.910 81.2 50.8 -52.2 -47.9 -11.4 8.9 16.0 178 193 A P H > S+ 0 0 78 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.918 111.7 47.8 -59.6 -38.7 -13.2 7.0 18.9 179 194 A D H 4>S+ 0 0 33 -4,-0.2 5,-2.7 -3,-0.2 3,-0.4 0.909 110.1 52.7 -64.9 -42.0 -13.3 3.8 16.9 180 195 A A H <5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -137,-0.2 0.790 112.7 44.5 -67.2 -27.9 -9.6 4.2 15.9 181 196 A R H <5S+ 0 0 133 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.672 131.6 7.2 -87.5 -18.0 -8.6 4.6 19.6 182 197 A G T X5S+ 0 0 13 -4,-1.1 4,-2.3 -3,-0.4 5,-0.2 0.513 124.4 29.7-129.7 -90.2 -10.8 1.7 21.0 183 198 A P H >5S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.811 116.0 55.8 -59.3 -32.8 -12.8 -0.9 19.2 184 199 A A H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.891 115.6 56.9 -62.8 -35.9 -7.3 -1.9 17.7 186 201 A E H X S+ 0 0 118 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.926 106.8 48.1 -57.6 -45.0 -9.1 -4.1 20.1 187 202 A F H X S+ 0 0 26 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.928 111.8 50.0 -58.9 -47.7 -10.6 -6.1 17.3 188 203 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.914 111.0 48.8 -60.3 -43.9 -7.2 -6.4 15.6 189 204 A I H X S+ 0 0 31 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.916 110.1 51.1 -63.9 -42.9 -5.6 -7.6 18.8 190 205 A E H X S+ 0 0 129 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.914 111.1 49.0 -58.8 -42.0 -8.3 -10.2 19.4 191 206 A K H X S+ 0 0 45 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.895 111.9 48.3 -67.1 -41.2 -7.8 -11.5 15.9 192 207 A V H >X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 3,-1.1 0.936 112.1 48.8 -62.0 -45.1 -4.1 -11.8 16.3 193 208 A R H 3X S+ 0 0 146 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.855 101.6 62.9 -68.4 -32.9 -4.3 -13.5 19.6 194 209 A A H 3< S+ 0 0 82 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.764 116.1 31.9 -63.0 -23.1 -6.8 -16.0 18.3 195 210 A V H << S+ 0 0 88 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.823 126.0 37.8-101.6 -39.2 -4.1 -17.3 15.8 196 211 A R H < 0 0 99 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.678 360.0 360.0 -85.1 -18.7 -0.9 -16.8 17.7 197 212 A G < 0 0 93 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.111 360.0 360.0 97.1 360.0 -2.2 -17.8 21.1