==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE ESTERASE) 28-NOV-95 1XZD . COMPND 2 MOLECULE: CUTINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NECTRIA HAEMATOCOCCA MPVI; . AUTHOR S.LONGHI,C.CAMBILLAU . 197 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 12.7 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 . 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 . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 29.4 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 2 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 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 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 0 102 0, 0.0 2,-3.0 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 -70.7 4.2 66.6 32.3 2 18 A T + 0 0 53 31,-0.4 30,-2.5 28,-0.1 29,-2.3 -0.264 360.0 53.8 41.2 -38.9 5.9 63.5 31.1 3 19 A T + 0 0 76 -2,-3.0 2,-0.3 27,-0.3 27,-0.1 -0.972 60.9 156.7-119.0 129.2 4.4 61.6 34.1 4 20 A R + 0 0 32 -2,-0.5 52,-2.6 49,-0.0 3,-0.1 -0.955 10.8 168.0-148.3 121.3 0.6 61.6 34.8 5 21 A D B > +A 55 0A 45 -2,-0.3 4,-2.7 50,-0.2 5,-0.3 -0.294 25.3 141.3-127.0 46.4 -1.1 58.9 36.8 6 22 A D H > S+ 0 0 33 48,-2.0 4,-1.4 1,-0.2 49,-0.2 0.848 74.7 48.2 -65.2 -37.3 -4.5 60.6 37.4 7 23 A L H 4 S+ 0 0 0 47,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.969 115.7 44.7 -65.9 -44.6 -6.5 57.4 36.9 8 24 A I H 4 S+ 0 0 80 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.868 123.4 36.6 -67.5 -33.7 -4.2 55.5 39.3 9 25 A N H < S+ 0 0 123 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.636 96.2 111.2 -89.8 -16.6 -4.2 58.3 41.8 10 26 A G < - 0 0 10 -4,-1.4 2,-0.3 -5,-0.3 5,-0.1 -0.313 68.8-119.4 -72.8 138.3 -7.8 59.3 41.3 11 27 A N > - 0 0 116 3,-0.3 3,-1.1 1,-0.2 -1,-0.1 -0.586 9.3-146.9 -78.5 133.3 -10.5 58.9 43.9 12 28 A S G > S+ 0 0 73 -2,-0.3 3,-0.9 1,-0.3 -1,-0.2 0.832 98.1 63.0 -64.5 -33.3 -13.4 56.7 42.9 13 29 A A G 3 S+ 0 0 105 1,-0.3 -1,-0.3 80,-0.0 -2,-0.0 0.723 114.6 34.9 -69.5 -12.6 -15.8 58.7 44.9 14 30 A S G < S+ 0 0 80 -3,-1.1 -1,-0.3 2,-0.0 -3,-0.3 -0.475 81.8 178.1-140.0 66.7 -15.0 61.6 42.6 15 31 A a < - 0 0 46 -3,-0.9 -3,-0.1 77,-0.1 -8,-0.0 -0.404 29.1-121.3 -62.2 136.9 -14.4 60.2 39.1 16 32 A A - 0 0 3 -2,-0.1 35,-0.2 1,-0.1 36,-0.2 -0.241 19.5-122.7 -67.8 172.2 -13.6 62.7 36.4 17 33 A D S S+ 0 0 77 34,-1.2 80,-2.6 33,-0.2 2,-0.4 0.758 94.3 36.2 -86.9 -27.5 -16.0 62.7 33.3 18 34 A V E -bc 52 97A 3 33,-2.0 35,-2.4 78,-0.3 2,-0.5 -0.974 67.0-165.1-129.3 133.2 -13.4 62.0 30.6 19 35 A I E -bc 53 98A 0 78,-2.5 80,-2.1 -2,-0.4 2,-0.5 -0.976 4.3-162.7-127.1 120.2 -10.3 59.7 31.0 20 36 A F E -bc 54 99A 0 33,-2.9 35,-2.4 -2,-0.5 2,-0.5 -0.909 1.9-167.7-102.8 124.1 -7.5 59.9 28.5 21 37 A I E -bc 55 100A 0 78,-2.3 80,-1.4 -2,-0.5 2,-0.3 -0.984 15.3-175.8-113.9 120.5 -5.1 56.9 28.4 22 38 A Y E -bc 56 101A 0 33,-2.1 35,-1.7 -2,-0.5 2,-0.4 -0.961 15.7-155.2-123.8 139.2 -2.0 57.8 26.3 23 39 A A E - c 0 102A 0 78,-1.9 80,-2.1 -2,-0.3 83,-0.1 -0.952 18.0-138.0-117.3 130.4 1.1 55.7 25.2 24 40 A R - 0 0 20 -2,-0.4 82,-0.4 7,-0.4 9,-0.1 -0.138 19.0 -99.8 -83.9 171.7 4.5 57.2 24.3 25 41 A G > - 0 0 0 1,-0.2 3,-1.4 80,-0.2 79,-0.1 -0.211 58.2 -59.4 -80.3-179.3 7.0 56.6 21.6 26 42 A S T 3 S+ 0 0 22 1,-0.3 38,-0.2 38,-0.1 -1,-0.2 -0.364 117.9 0.1 -67.5 136.1 10.2 54.6 21.8 27 43 A T T 3 S+ 0 0 112 36,-2.8 -1,-0.3 35,-0.2 37,-0.1 0.418 92.3 143.4 69.5 9.9 12.7 55.8 24.3 28 44 A E < - 0 0 28 -3,-1.4 -1,-0.2 35,-0.1 2,-0.1 -0.363 46.4-114.6 -82.0 161.6 10.6 58.7 25.6 29 45 A T S > S+ 0 0 95 2,-0.0 4,-2.2 3,-0.0 3,-0.4 -0.363 72.6 8.6 -91.6 172.6 10.6 59.8 29.2 30 46 A G T 4 S- 0 0 31 1,-0.2 -27,-0.3 2,-0.2 -28,-0.1 -0.169 105.6 -72.4 53.9-152.5 7.9 59.7 31.9 31 47 A N T 4 S+ 0 0 7 -29,-2.3 26,-0.7 2,-0.1 -7,-0.4 0.330 132.5 48.4-111.9 8.3 4.8 57.9 30.8 32 48 A L T > S- 0 0 0 -30,-2.5 4,-1.3 -3,-0.4 3,-0.3 0.675 80.4-173.7-116.0 -21.2 3.8 60.7 28.4 33 49 A G T < - 0 0 3 -4,-2.2 -31,-0.4 -31,-0.4 -2,-0.1 -0.159 55.9 -32.6 59.3-150.8 7.0 61.6 26.3 34 50 A T T 4 S+ 0 0 93 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.862 136.7 35.4 -78.5 -38.0 7.1 64.5 23.9 35 51 A L T >> S+ 0 0 9 -3,-0.3 4,-1.5 2,-0.1 3,-1.0 0.863 100.7 72.7 -85.6 -38.7 3.5 64.7 22.5 36 52 A G H 3X S+ 0 0 0 -4,-1.3 4,-2.8 1,-0.2 -2,-0.1 0.861 91.6 53.2 -48.9 -53.5 1.3 63.7 25.5 37 53 A P H 3> S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.779 107.4 53.6 -55.8 -29.0 1.6 66.9 27.7 38 54 A S H <> S+ 0 0 37 -3,-1.0 4,-1.6 -4,-0.2 -2,-0.2 0.937 111.7 43.0 -76.6 -42.3 0.5 69.1 24.8 39 55 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.984 114.6 54.0 -63.2 -48.2 -2.7 67.1 24.2 40 56 A A H >X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 3,-0.6 0.883 104.9 50.6 -53.0 -53.9 -3.1 67.0 28.0 41 57 A S H 3X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.899 113.2 48.2 -48.2 -48.7 -2.9 70.8 28.6 42 58 A N H 3X S+ 0 0 60 -4,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.829 109.9 50.0 -68.4 -32.0 -5.5 71.3 25.9 43 59 A L H X - 0 0 32 -4,-1.8 3,-1.1 -5,-0.4 4,-0.9 0.135 36.6 -75.0 85.1 158.1 -11.1 71.6 33.5 49 65 A K G >4 S+ 0 0 118 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.930 133.4 45.1 -56.4 -48.4 -8.6 69.9 35.7 50 66 A D G 34 S+ 0 0 149 1,-0.2 -1,-0.3 -6,-0.1 -33,-0.2 0.641 107.5 62.4 -74.3 -6.3 -11.2 68.0 37.7 51 67 A G G <4 S+ 0 0 12 -3,-1.1 -33,-2.0 -4,-0.2 -34,-1.2 0.732 104.1 43.3 -92.0 -19.4 -13.1 67.0 34.5 52 68 A V E << - b 0 18A 1 -4,-0.9 2,-0.6 -3,-0.9 -33,-0.2 -0.978 59.8-158.0-138.6 127.9 -10.3 64.9 32.9 53 69 A W E - b 0 19A 24 -35,-2.4 -33,-2.9 -2,-0.4 2,-0.5 -0.898 13.4-157.1 -99.6 124.1 -7.9 62.3 34.2 54 70 A I E - b 0 20A 0 -2,-0.6 -48,-2.0 -35,-0.2 2,-0.4 -0.913 13.5-178.4-107.1 127.4 -4.8 61.9 32.0 55 71 A Q E -Ab 5 21A 1 -35,-2.4 -33,-2.1 -2,-0.5 -50,-0.2 -0.962 11.3-157.2-125.6 111.9 -3.1 58.6 32.4 56 72 A G E - b 0 22A 0 -52,-2.6 2,-0.8 -2,-0.4 -33,-0.2 -0.478 29.8-110.7 -84.8 161.0 0.1 57.6 30.6 57 73 A V + 0 0 0 -35,-1.7 -33,-0.4 -26,-0.7 25,-0.1 -0.837 60.1 140.7 -91.0 114.1 0.9 53.9 30.1 58 74 A G > + 0 0 16 -2,-0.8 3,-2.7 23,-0.1 5,-0.1 0.179 30.6 77.2-116.1-119.1 3.9 53.2 32.3 59 75 A G T 3 S+ 0 0 44 1,-0.3 19,-0.1 -2,-0.1 -2,-0.0 -0.104 117.2 1.9 44.1-127.3 4.5 50.0 34.4 60 76 A A T 3 S+ 0 0 37 17,-0.2 2,-1.1 1,-0.1 -1,-0.3 0.735 107.9 103.3 -60.3 -21.9 5.7 47.2 32.2 61 77 A Y < + 0 0 1 -3,-2.7 -1,-0.1 1,-0.2 13,-0.0 -0.570 40.4 167.7 -76.3 109.3 5.7 49.5 29.1 62 78 A R - 0 0 158 -2,-1.1 -35,-0.2 2,-0.1 -1,-0.2 0.467 37.4-136.4 -87.2 -21.3 9.3 50.2 28.6 63 79 A A - 0 0 2 1,-0.2 -36,-2.8 -37,-0.1 2,-0.4 0.860 34.4-179.9 52.5 46.9 9.1 51.8 25.1 64 80 A T > - 0 0 68 -38,-0.2 3,-1.7 1,-0.1 -1,-0.2 -0.638 29.7-137.7 -78.5 126.0 12.2 49.8 24.0 65 81 A L G > S+ 0 0 96 -2,-0.4 3,-2.1 1,-0.3 4,-0.3 0.881 99.8 62.1 -52.3 -44.9 13.1 50.6 20.4 66 82 A G G > S+ 0 0 52 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.779 87.9 72.9 -53.5 -27.0 13.8 46.9 19.6 67 83 A D G X S+ 0 0 39 -3,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.577 74.6 80.2 -74.4 -2.6 10.2 46.0 20.3 68 84 A N G < S+ 0 0 18 -3,-2.1 -1,-0.3 1,-0.2 5,-0.2 0.856 87.2 60.0 -69.5 -26.5 8.9 47.6 17.1 69 85 A A G < S+ 0 0 78 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.571 82.1 106.5 -77.4 -3.1 10.0 44.4 15.4 70 86 A L S X S- 0 0 66 -3,-1.2 3,-3.2 -4,-0.2 4,-0.1 -0.448 90.0 -97.1 -76.3 152.4 7.7 42.2 17.4 71 87 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.804 123.6 32.9 -36.5 -48.2 4.5 40.7 15.7 72 88 A R T 3 S- 0 0 81 2,-0.4 40,-0.2 1,-0.0 3,-0.1 0.311 119.1-101.9 -98.5 10.8 2.2 43.3 17.0 73 89 A G S < S+ 0 0 0 -3,-3.2 2,-0.3 1,-0.2 36,-0.2 0.636 98.8 38.8 80.3 12.6 4.7 46.3 17.1 74 90 A T S S- 0 0 4 34,-0.1 -2,-0.4 -6,-0.1 -1,-0.2 -0.957 96.2 -71.5-172.5 175.0 5.3 46.1 20.8 75 91 A S > - 0 0 23 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.529 31.8-125.1 -81.9 161.5 5.7 43.5 23.6 76 92 A S H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.850 113.2 60.6 -70.5 -32.9 2.9 41.3 25.0 77 93 A A H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 104.9 47.6 -60.6 -40.9 3.9 42.7 28.4 78 94 A A H > S+ 0 0 0 2,-0.2 4,-2.2 -18,-0.2 5,-0.3 0.889 107.2 54.0 -71.5 -40.7 3.1 46.2 27.2 79 95 A I H X S+ 0 0 9 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.945 109.8 52.1 -56.1 -41.5 -0.4 45.1 25.6 80 96 A R H X S+ 0 0 201 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.890 106.6 52.2 -62.9 -37.3 -1.1 43.7 29.2 81 97 A E H X S+ 0 0 54 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.969 114.2 40.3 -67.0 -46.6 -0.2 47.0 30.8 82 98 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.4 0.916 113.5 55.2 -72.9 -35.6 -2.6 49.2 28.6 83 99 A L H X S+ 0 0 29 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.947 107.0 51.1 -56.6 -43.0 -5.3 46.5 28.8 84 100 A G H X S+ 0 0 20 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.766 107.8 52.0 -69.0 -27.5 -5.2 46.7 32.5 85 101 A L H X S+ 0 0 2 -4,-1.2 4,-2.5 -3,-0.4 -1,-0.2 0.865 107.7 50.7 -78.1 -35.1 -5.5 50.5 32.6 86 102 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.936 112.9 48.6 -63.0 -41.2 -8.6 50.4 30.3 87 103 A Q H X S+ 0 0 93 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.856 109.6 51.3 -68.5 -37.5 -10.0 47.8 32.8 88 104 A Q H X S+ 0 0 88 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.933 110.0 49.4 -61.9 -42.9 -9.1 50.0 35.8 89 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.966 111.3 51.1 -58.6 -44.6 -10.9 53.0 34.1 90 106 A N H < S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.838 117.3 36.1 -61.4 -40.2 -13.9 50.9 33.6 91 107 A T H < S+ 0 0 112 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.929 120.3 44.9 -81.4 -51.7 -14.2 49.6 37.1 92 108 A K H < S+ 0 0 63 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.902 133.6 14.6 -59.9 -43.3 -13.1 52.8 39.0 93 109 A a >< + 0 0 3 -4,-2.8 3,-1.3 -5,-0.4 -1,-0.3 -0.675 64.9 172.7-133.7 80.4 -15.3 55.1 36.9 94 110 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.692 79.7 52.6 -68.9 -11.1 -18.0 53.3 34.8 95 111 A D T 3 S+ 0 0 116 2,-0.1 -5,-0.1 -77,-0.0 2,-0.1 0.551 83.7 107.4-102.6 0.2 -19.7 56.6 33.6 96 112 A A S < S- 0 0 6 -3,-1.3 2,-0.4 -7,-0.2 -78,-0.3 -0.333 70.3-128.0 -70.6 145.5 -16.6 58.2 32.4 97 113 A T E -c 18 0A 17 -80,-2.6 -78,-2.5 -2,-0.1 2,-0.3 -0.855 28.3-142.3 -93.9 139.7 -16.1 58.6 28.6 98 114 A L E -cd 19 125A 3 26,-1.8 28,-2.3 -2,-0.4 29,-0.4 -0.745 19.8-178.2-103.4 154.3 -12.6 57.2 27.5 99 115 A I E -c 20 0A 0 -80,-2.1 -78,-2.3 -2,-0.3 2,-0.3 -0.975 8.5-165.8-141.2 152.0 -10.3 58.6 24.9 100 116 A A E +cd 21 128A 0 27,-1.7 29,-2.0 -2,-0.3 2,-0.3 -0.968 10.6 172.5-141.3 158.1 -6.9 57.2 23.8 101 117 A G E -cd 22 129A 0 -80,-1.4 -78,-1.9 -2,-0.3 2,-0.3 -0.986 4.1-175.4-154.0 166.6 -3.8 58.0 21.9 102 118 A G E -cd 23 130A 0 27,-1.6 29,-2.5 -2,-0.3 2,-0.5 -0.978 14.6-143.5-164.1 150.3 -0.4 56.8 21.1 103 119 A Y E > - d 0 131A 15 -80,-2.1 3,-2.2 -2,-0.3 29,-0.2 -0.981 65.4 -40.7-121.2 130.8 2.7 57.8 19.3 104 120 A S T >> S+ 0 0 8 27,-2.5 4,-1.9 -2,-0.5 3,-1.0 -0.362 140.7 7.6 62.9-121.3 5.0 55.5 17.2 105 121 A Q H 3> S+ 0 0 0 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.882 132.6 59.4 -58.4 -35.8 5.3 52.3 19.3 106 122 A G H <> S+ 0 0 0 -3,-2.2 4,-2.8 -82,-0.4 -1,-0.3 0.852 102.4 53.1 -60.0 -31.3 2.6 53.7 21.6 107 123 A A H <> S+ 0 0 0 -3,-1.0 4,-2.7 24,-0.2 -2,-0.2 0.936 110.8 44.9 -70.9 -43.9 0.3 53.9 18.4 108 124 A A H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.941 115.1 49.3 -67.0 -36.1 1.0 50.2 17.7 109 125 A L H X S+ 0 0 0 -4,-3.2 4,-3.0 -36,-0.2 5,-0.2 0.925 110.7 50.3 -64.8 -42.1 0.4 49.5 21.5 110 126 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.965 113.3 45.2 -62.0 -47.1 -2.8 51.5 21.4 111 127 A A H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.931 113.9 49.3 -65.7 -40.5 -4.1 49.6 18.3 112 128 A A H X S+ 0 0 3 -4,-2.9 4,-1.5 -40,-0.2 -1,-0.2 0.929 113.6 46.5 -63.7 -42.5 -3.1 46.2 19.8 113 129 A S H X S+ 0 0 0 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.918 112.2 48.2 -62.7 -45.5 -4.8 47.0 23.2 114 130 A I H < S+ 0 0 0 -4,-2.4 3,-0.5 -5,-0.2 -1,-0.2 0.895 108.5 56.2 -69.1 -33.6 -8.0 48.2 21.6 115 131 A E H < S+ 0 0 69 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.874 113.8 39.0 -62.1 -40.0 -8.1 45.2 19.3 116 132 A D H < S+ 0 0 71 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.522 93.2 114.5 -86.9 -11.4 -8.0 42.8 22.3 117 133 A L S < S- 0 0 5 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.0 -0.215 79.1 -94.5 -61.8 151.3 -10.2 44.8 24.6 118 134 A D >> - 0 0 97 1,-0.1 4,-2.8 4,-0.0 3,-1.5 -0.520 35.9-122.8 -65.4 126.5 -13.6 43.6 25.7 119 135 A S H 3> S+ 0 0 57 -2,-0.3 4,-2.1 1,-0.3 -1,-0.1 0.780 108.3 57.6 -37.0 -42.7 -16.2 45.0 23.4 120 136 A A H 34 S+ 0 0 60 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.871 113.7 37.6 -70.2 -29.0 -18.0 46.7 26.3 121 137 A I H X4 S+ 0 0 8 -3,-1.5 3,-2.2 2,-0.2 4,-0.5 0.900 114.1 55.5 -83.0 -44.1 -15.0 48.8 27.4 122 138 A R H >< S+ 0 0 25 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.901 102.0 59.4 -51.8 -41.3 -13.8 49.3 23.8 123 139 A D T 3< S+ 0 0 90 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.546 95.9 62.2 -69.0 -7.9 -17.2 50.8 23.0 124 140 A K T < S+ 0 0 55 -3,-2.2 -26,-1.8 -5,-0.1 2,-1.0 0.583 78.1 96.1 -90.9 -10.8 -16.7 53.5 25.6 125 141 A I E < -d 98 0A 0 -3,-2.0 -26,-0.2 -4,-0.5 3,-0.1 -0.679 55.0-174.6 -83.1 107.2 -13.6 54.9 23.8 126 142 A A E + 0 0 3 -28,-2.3 2,-0.3 -2,-1.0 -1,-0.2 0.627 64.2 5.1 -81.6 -14.6 -15.2 57.7 21.9 127 143 A G E - 0 0 0 -29,-0.4 -27,-1.7 63,-0.1 2,-0.4 -0.899 58.6-166.4-164.6 139.2 -12.1 58.8 19.8 128 144 A T E -de 100 151A 0 22,-2.3 24,-2.2 -2,-0.3 2,-0.4 -0.999 7.1-161.5-129.8 133.2 -8.5 57.5 19.4 129 145 A V E -de 101 152A 0 -29,-2.0 -27,-1.6 -2,-0.4 2,-0.4 -0.951 4.8-168.9-118.1 135.0 -5.6 59.5 17.8 130 146 A L E -de 102 153A 0 22,-2.2 24,-3.1 -2,-0.4 2,-0.4 -0.989 3.5-163.0-126.7 126.3 -2.5 57.9 16.5 131 147 A F E S-de 103 154A 0 -29,-2.5 -27,-2.5 -2,-0.4 -24,-0.2 -0.916 77.5 -2.9-109.2 133.3 0.7 59.8 15.5 132 148 A G S S- 0 0 0 22,-2.5 2,-0.6 -2,-0.4 -1,-0.2 0.915 85.0-157.2 53.7 46.7 3.4 58.0 13.3 133 149 A Y > - 0 0 0 21,-0.4 3,-1.9 -3,-0.3 4,-0.2 -0.413 10.1-156.8 -64.6 107.1 1.4 54.8 13.5 134 150 A T T 3 S+ 0 0 4 -2,-0.6 4,-0.2 -30,-0.6 -1,-0.2 0.668 92.8 46.8 -63.3 -19.4 3.9 51.9 12.8 135 151 A K T 3> S+ 0 0 41 1,-0.1 4,-2.4 2,-0.1 6,-0.3 0.013 78.3 118.4-108.6 28.8 1.2 49.5 11.6 136 152 A N T <4>S+ 0 0 32 -3,-1.9 5,-2.7 25,-0.5 6,-0.3 0.963 81.2 33.2 -60.4 -55.3 -0.5 52.1 9.4 137 153 A L T >45S+ 0 0 77 25,-0.5 3,-1.3 24,-0.4 -1,-0.2 0.921 118.2 54.0 -69.1 -41.4 -0.0 50.3 6.1 138 154 A Q T 345S+ 0 0 85 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.904 119.6 33.7 -59.6 -41.3 -0.4 46.8 7.6 139 155 A N T ><5S- 0 0 53 -4,-2.4 3,-1.3 3,-0.1 -1,-0.3 0.342 109.9-121.8 -96.6 8.0 -3.7 47.7 9.1 140 156 A R T < 5 - 0 0 178 -3,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.884 69.2 -56.1 53.9 41.6 -4.8 50.1 6.3 141 157 A G T 3 - 0 0 0 3,-0.4 3,-1.6 -2,-0.3 -31,-0.1 -0.945 48.1-103.3 -97.0 127.0 -7.5 50.1 14.5 144 160 A P T 3 S+ 0 0 31 0, 0.0 -5,-0.0 0, 0.0 -1,-0.0 -0.293 101.0 5.9 -55.5 134.6 -8.9 46.4 14.3 145 161 A N T 3 S+ 0 0 102 1,-0.2 -23,-0.0 -29,-0.0 -3,-0.0 0.645 108.9 106.0 65.8 24.8 -12.5 46.1 15.6 146 162 A Y S < S- 0 0 3 -3,-1.6 -3,-0.4 -23,-0.0 -1,-0.2 -0.990 76.7-103.5-139.8 134.4 -12.8 49.9 16.1 147 163 A P > - 0 0 44 0, 0.0 3,-0.8 0, 0.0 4,-0.3 -0.176 17.0-133.9 -61.9 144.8 -14.8 52.2 13.9 148 164 A A G > S+ 0 0 49 1,-0.2 3,-1.3 2,-0.2 -2,-0.0 0.841 103.5 61.0 -62.9 -33.9 -13.1 54.5 11.3 149 165 A D G 3 S+ 0 0 106 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.686 105.7 47.6 -67.6 -18.4 -15.2 57.5 12.4 150 166 A R G < S+ 0 0 59 -3,-0.8 -22,-2.3 -23,-0.1 2,-0.4 0.430 101.7 79.2 -98.9 2.8 -13.7 57.4 15.9 151 167 A T E < -e 128 0A 16 -3,-1.3 2,-0.4 -4,-0.3 -22,-0.2 -0.870 52.9-176.5-111.2 139.7 -10.1 57.0 14.7 152 168 A K E -e 129 0A 81 -24,-2.2 -22,-2.2 -2,-0.4 2,-0.4 -0.989 8.3-163.3-134.8 131.0 -7.8 59.8 13.5 153 169 A V E -e 130 0A 41 -2,-0.4 2,-0.7 -24,-0.2 -22,-0.2 -0.903 7.7-159.8-119.7 133.2 -4.3 59.0 12.2 154 170 A F E +e 131 0A 21 -24,-3.1 -22,-2.5 -2,-0.4 2,-0.4 -0.964 23.5 162.7-111.4 107.6 -1.6 61.6 11.8 155 171 A b - 0 0 45 -2,-0.7 3,-0.1 -24,-0.2 2,-0.1 -0.952 27.3-142.2-132.0 111.5 1.0 60.2 9.4 156 172 A N > - 0 0 50 -2,-0.4 3,-1.8 15,-0.2 2,-0.2 -0.358 27.9-100.0 -68.5 146.9 3.4 62.7 7.8 157 173 A T T 3 S+ 0 0 143 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.531 115.1 24.0 -61.6 128.3 4.6 62.4 4.2 158 174 A G T 3 S+ 0 0 41 1,-0.3 2,-1.1 -2,-0.2 14,-0.3 0.520 82.3 129.0 91.5 3.2 8.0 60.8 4.5 159 175 A D X> - 0 0 2 -3,-1.8 3,-1.4 12,-0.2 4,-0.6 -0.834 44.7-162.9 -90.0 103.5 7.4 59.1 7.8 160 176 A L G >4>S+ 0 0 67 -2,-1.1 5,-2.0 1,-0.3 3,-0.7 0.757 80.8 69.2 -65.7 -23.1 8.6 55.7 6.7 161 177 A V G >45S+ 0 0 4 6,-0.3 3,-0.8 1,-0.2 -25,-0.5 0.814 97.0 54.8 -65.4 -23.8 6.9 54.0 9.6 162 178 A b G <45S+ 0 0 9 -3,-1.4 -25,-0.5 1,-0.2 -1,-0.2 0.745 105.5 54.8 -77.9 -18.9 3.5 54.9 8.0 163 179 A T G <<5S- 0 0 96 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.197 129.4 -87.7-108.1 25.0 4.6 53.2 4.9 164 180 A G T < 5S+ 0 0 36 -3,-0.8 2,-0.2 1,-0.4 -3,-0.2 0.616 93.1 107.3 90.0 12.8 5.5 49.8 6.3 165 181 A S < - 0 0 38 -5,-2.0 -1,-0.4 2,-0.1 -2,-0.1 -0.636 61.2-143.8-111.4 170.9 9.0 50.4 7.3 166 182 A L + 0 0 81 -2,-0.2 2,-0.3 -3,-0.1 -5,-0.1 0.136 59.3 123.4-118.2 16.8 10.6 50.8 10.7 167 183 A I - 0 0 104 -7,-0.1 2,-0.6 1,-0.0 -6,-0.3 -0.627 58.4-136.9 -75.9 133.8 13.3 53.4 9.7 168 184 A V + 0 0 79 -2,-0.3 2,-0.2 -8,-0.1 -9,-0.1 -0.851 31.5 173.0 -94.2 117.7 13.0 56.6 11.8 169 185 A A > - 0 0 28 -2,-0.6 3,-1.8 -11,-0.1 4,-0.4 -0.772 48.2 -90.0-116.9 167.4 13.4 59.6 9.4 170 186 A A G > S+ 0 0 74 1,-0.3 3,-2.7 -2,-0.2 4,-0.2 0.865 120.7 61.1 -53.4 -46.1 12.9 63.4 10.3 171 187 A P G > S+ 0 0 38 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.772 94.4 67.7 -49.0 -26.6 9.1 63.6 9.5 172 188 A H G < S+ 0 0 6 -3,-1.8 -2,-0.2 1,-0.3 3,-0.2 0.695 100.9 47.9 -66.8 -21.2 8.6 61.0 12.3 173 189 A L G < S+ 0 0 119 -3,-2.7 3,-0.3 -4,-0.4 -1,-0.3 0.166 93.7 81.5 -98.5 8.2 9.8 63.7 14.8 174 190 A A < + 0 0 53 -3,-1.8 4,-0.2 1,-0.2 -1,-0.1 -0.267 50.3 107.0-118.2 48.5 7.5 66.4 13.5 175 191 A Y > + 0 0 2 -3,-0.2 4,-2.4 1,-0.1 5,-0.3 0.525 45.8 102.2-100.4 -5.1 4.2 65.7 15.1 176 192 A G H > S+ 0 0 19 -3,-0.3 4,-1.4 1,-0.2 5,-0.1 0.870 79.3 52.1 -46.1 -52.0 4.3 68.6 17.6 177 193 A P H >> S+ 0 0 78 0, 0.0 4,-1.4 0, 0.0 3,-0.6 0.954 112.4 47.0 -53.2 -46.2 1.9 70.9 15.6 178 194 A D H >4>S+ 0 0 33 1,-0.3 5,-1.7 2,-0.2 3,-0.8 0.942 108.9 51.8 -62.1 -49.1 -0.7 68.1 15.5 179 195 A A H 3<5S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -3,-0.2 0.759 112.9 49.5 -58.1 -25.6 -0.4 67.2 19.1 180 196 A R H <<5S- 0 0 146 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.678 131.7 -1.1 -88.7 -20.4 -1.0 71.0 19.8 181 197 A G T 5S+ 0 0 50 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.872 114.1 52.0 -53.2 -45.7 -5.8 68.8 15.3 183 199 A A H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.934 115.1 56.0 -59.3 -40.1 -7.0 67.5 21.0 185 201 A E H X S+ 0 0 121 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.936 108.6 46.0 -54.9 -48.5 -9.7 69.1 18.7 186 202 A F H X S+ 0 0 21 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.946 115.6 46.5 -55.8 -52.6 -10.7 65.7 17.3 187 203 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.858 112.3 48.6 -59.5 -40.5 -10.8 64.2 20.9 188 204 A I H X S+ 0 0 27 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.899 112.8 51.0 -66.8 -39.1 -12.8 67.1 22.3 189 205 A E H X S+ 0 0 100 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.866 110.4 46.8 -65.2 -45.2 -15.2 66.8 19.4 190 206 A K H X S+ 0 0 40 -4,-2.4 4,-1.7 2,-0.2 5,-0.3 0.946 111.8 50.4 -67.9 -42.0 -15.7 63.1 19.9 191 207 A V H X S+ 0 0 3 -4,-2.3 4,-3.2 1,-0.2 3,-0.3 0.941 114.3 45.2 -61.8 -44.4 -16.2 63.4 23.6 192 208 A R H < S+ 0 0 122 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.859 103.6 63.4 -69.3 -33.5 -18.8 66.2 23.0 193 209 A A H < S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.900 123.7 20.1 -61.2 -38.3 -20.5 64.2 20.1 194 210 A V H < S- 0 0 83 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.816 113.6-128.3 -93.5 -30.6 -21.5 61.6 22.8 195 211 A R < - 0 0 164 -4,-3.2 2,-0.6 -5,-0.3 -3,-0.1 0.058 14.5-102.1 105.5 -10.4 -21.1 63.8 25.9 196 212 A G 0 0 12 -5,-0.2 -4,-0.0 1,-0.1 -180,-0.0 -0.828 360.0 360.0 108.8-113.5 -18.9 63.0 29.2 197 213 A C 0 0 99 -2,-0.6 -1,-0.1 -101,-0.1 -101,-0.1 0.257 360.0 360.0-165.1 360.0 -20.9 61.9 32.4