==== 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 HYDROLASE (SERINE ESTERASE) 07-OCT-95 1FFB . COMPND 2 MOLECULE: CUTINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NECTRIA HAEMATOCOCCA MPVI; . AUTHOR C.CAMBILLAU,C.MARTINEZ,A.NICOLAS . 197 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 68.5 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 . 4 2.0 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 . 1 0.5 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 . 11 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 15.2 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 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 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 . 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 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 0 231 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.3 -11.3 4.7 -5.2 2 18 A T + 0 0 57 1,-0.1 29,-2.4 30,-0.1 30,-2.2 0.495 360.0 57.6 -83.3 -5.4 -9.6 6.8 -2.6 3 19 A T + 0 0 74 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.991 59.5 165.2-128.3 120.8 -12.3 6.5 0.1 4 20 A R + 0 0 53 -2,-0.4 52,-2.6 49,-0.0 3,-0.1 -0.998 13.2 168.3-136.5 129.0 -13.4 3.1 1.4 5 21 A D B > +A 55 0A 47 -2,-0.4 4,-2.8 50,-0.2 5,-0.3 -0.258 23.9 144.3-131.8 46.8 -15.4 2.6 4.6 6 22 A D H > S+ 0 0 32 48,-2.3 4,-2.0 1,-0.2 49,-0.2 0.802 72.6 50.1 -59.6 -35.3 -16.3 -1.1 4.2 7 23 A L H 4 S+ 0 0 0 47,-0.2 -1,-0.2 2,-0.2 48,-0.1 0.955 114.7 41.9 -68.6 -49.9 -16.1 -1.9 7.9 8 24 A I H 4 S+ 0 0 78 1,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.909 124.1 38.3 -63.2 -42.5 -18.3 1.0 9.0 9 25 A N H < S+ 0 0 127 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.795 91.9 115.7 -77.1 -31.7 -20.8 0.5 6.1 10 26 A G S < S- 0 0 12 -4,-2.0 2,-0.4 -5,-0.3 5,-0.1 -0.063 72.7-114.8 -51.1 136.6 -20.7 -3.3 6.2 11 27 A N > - 0 0 105 3,-0.2 3,-1.8 1,-0.1 -1,-0.1 -0.550 23.1-143.9 -70.9 120.1 -23.8 -5.4 7.1 12 28 A S G > S+ 0 0 76 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.708 96.2 60.4 -62.1 -24.8 -22.8 -7.2 10.4 13 29 A A G 3 S+ 0 0 94 1,-0.2 -1,-0.3 80,-0.0 -2,-0.1 0.521 110.4 44.2 -79.5 -7.1 -24.7 -10.4 9.5 14 30 A S G < S+ 0 0 69 -3,-1.8 -1,-0.2 2,-0.0 -3,-0.2 -0.224 82.4 172.8-130.4 48.2 -22.4 -10.7 6.5 15 31 A a < - 0 0 40 -3,-0.8 2,-0.1 77,-0.1 -3,-0.1 -0.195 32.7-119.0 -56.5 142.4 -19.0 -9.9 7.9 16 32 A R - 0 0 2 1,-0.1 35,-0.2 2,-0.1 36,-0.2 -0.454 14.6-129.5 -77.7 157.2 -16.0 -10.4 5.6 17 33 A D S S+ 0 0 87 34,-0.6 80,-3.1 33,-0.2 2,-0.4 0.704 95.0 45.9 -80.6 -19.3 -13.4 -12.9 6.8 18 34 A V E -bc 52 97A 3 33,-1.4 35,-2.5 78,-0.2 2,-0.5 -0.982 65.5-170.3-128.5 132.7 -10.7 -10.4 6.3 19 35 A I E -bc 53 98A 0 78,-2.4 80,-2.2 -2,-0.4 2,-0.5 -0.988 5.9-162.2-125.8 123.3 -10.6 -6.7 7.3 20 36 A F E -bc 54 99A 0 33,-2.9 35,-2.8 -2,-0.5 2,-0.6 -0.918 3.0-169.1-107.3 120.2 -7.9 -4.3 6.1 21 37 A I E -bc 55 100A 0 78,-2.2 80,-1.5 -2,-0.5 2,-0.4 -0.955 13.2-177.4-111.9 120.4 -7.4 -1.0 8.0 22 38 A Y E -bc 56 101A 0 33,-2.1 35,-2.2 -2,-0.6 2,-0.5 -0.952 17.9-154.7-126.9 137.4 -5.1 1.4 6.3 23 39 A A E - c 0 102A 0 78,-1.9 80,-1.7 -2,-0.4 9,-0.1 -0.925 19.5-138.7-112.0 127.0 -3.8 4.9 7.2 24 40 A R - 0 0 21 -2,-0.5 82,-0.4 33,-0.4 9,-0.1 -0.186 23.3 -98.3 -76.1 171.6 -2.7 7.4 4.4 25 41 A G > - 0 0 0 80,-0.2 3,-1.7 1,-0.2 79,-0.2 -0.298 55.8 -61.2 -86.8 172.7 0.3 9.7 4.3 26 42 A S T 3 S+ 0 0 19 1,-0.3 38,-0.2 -2,-0.1 -1,-0.2 -0.302 120.3 1.8 -59.3 132.6 0.6 13.4 5.1 27 43 A T T 3 S+ 0 0 103 36,-3.1 -1,-0.3 1,-0.2 37,-0.1 0.291 95.0 142.8 70.4 -2.2 -1.5 15.7 2.8 28 44 A E < - 0 0 27 -3,-1.7 -1,-0.2 35,-0.1 2,-0.1 -0.306 46.4-119.4 -69.9 153.6 -3.0 12.7 1.0 29 45 A T > + 0 0 97 -3,-0.1 4,-1.6 3,-0.1 3,-0.4 -0.333 69.0 8.6 -90.4 169.4 -6.6 12.7 -0.2 30 46 A G T 4 S- 0 0 30 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.272 103.3 -72.6 59.8-152.2 -9.6 10.5 0.6 31 47 A N T 4 S+ 0 0 7 -29,-2.4 26,-0.8 2,-0.1 -7,-0.3 0.336 132.2 45.3-118.4 5.8 -8.9 7.9 3.4 32 48 A L T > S- 0 0 1 -30,-2.2 4,-1.7 -3,-0.4 3,-0.4 0.562 83.9-169.6-117.9 -21.7 -6.6 5.7 1.3 33 49 A G T < - 0 0 4 -4,-1.6 -1,-0.1 -31,-0.6 -2,-0.1 -0.242 55.3 -36.3 63.9-148.8 -4.4 8.2 -0.4 34 50 A T T 4 S+ 0 0 91 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.820 137.4 36.3 -82.0 -35.1 -2.1 7.1 -3.3 35 51 A L T >> S+ 0 0 9 -3,-0.4 4,-1.6 2,-0.1 3,-0.6 0.802 99.8 71.8 -90.2 -37.1 -1.1 3.6 -2.1 36 52 A G H 3X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.871 93.2 54.6 -49.9 -45.9 -4.2 2.2 -0.4 37 53 A P H 3> S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.856 107.1 52.7 -60.4 -34.0 -6.3 1.7 -3.6 38 54 A S H <> S+ 0 0 32 -3,-0.6 4,-1.3 -4,-0.3 -2,-0.2 0.908 112.1 43.8 -66.0 -44.5 -3.5 -0.5 -5.1 39 55 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 3,-0.3 0.947 113.0 53.8 -64.9 -46.5 -3.3 -2.7 -2.1 40 56 A A H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.890 105.1 51.7 -55.9 -46.1 -7.1 -2.9 -1.9 41 57 A S H X S+ 0 0 57 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.859 111.0 48.5 -63.3 -34.3 -7.6 -4.0 -5.5 42 58 A N H X S+ 0 0 57 -4,-1.3 4,-1.4 -3,-0.3 -1,-0.2 0.890 110.4 50.4 -72.0 -37.9 -5.1 -6.9 -5.0 43 59 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.887 110.1 51.9 -65.5 -37.1 -6.8 -8.0 -1.8 44 60 A E H X S+ 0 0 22 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.830 103.4 57.3 -67.3 -34.1 -10.1 -8.0 -3.6 45 61 A S H < S+ 0 0 104 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.878 114.3 39.9 -64.4 -33.2 -8.6 -10.1 -6.4 46 62 A A H < S+ 0 0 52 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.938 132.5 18.3 -80.5 -50.8 -7.8 -12.7 -3.7 47 63 A F H < S- 0 0 58 -4,-2.6 4,-0.3 1,-0.1 -3,-0.2 0.540 101.1-126.3-103.1 -7.7 -10.8 -12.7 -1.4 48 64 A G >X - 0 0 30 -4,-2.0 4,-1.0 -5,-0.4 3,-0.7 0.065 38.3 -69.2 80.5 164.4 -13.4 -11.1 -3.6 49 65 A K T 34 S+ 0 0 128 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.822 136.3 43.8 -61.3 -32.6 -15.6 -8.0 -2.7 50 66 A D T 34 S+ 0 0 147 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.634 109.3 59.7 -88.2 -12.0 -17.5 -9.9 -0.1 51 67 A G T <4 S+ 0 0 18 -3,-0.7 -33,-1.4 -4,-0.3 -34,-0.6 0.656 107.4 35.5 -90.9 -18.7 -14.4 -11.6 1.4 52 68 A V E < - b 0 18A 0 -4,-1.0 2,-0.5 -3,-0.2 -33,-0.2 -0.999 65.0-150.7-139.4 132.5 -12.4 -8.5 2.4 53 69 A W E - b 0 19A 20 -35,-2.5 -33,-2.9 -2,-0.4 2,-0.5 -0.929 12.3-152.7-102.8 125.0 -13.5 -5.2 3.8 54 70 A I E + b 0 20A 0 -2,-0.5 -48,-2.3 -35,-0.2 2,-0.4 -0.870 16.9 178.8 -98.5 126.1 -11.3 -2.2 3.1 55 71 A Q E -Ab 5 21A 1 -35,-2.8 -33,-2.1 -2,-0.5 -50,-0.2 -0.943 12.4-158.1-134.1 113.0 -11.4 0.5 5.6 56 72 A G E - b 0 22A 0 -52,-2.6 2,-1.0 -2,-0.4 -33,-0.2 -0.500 30.8-109.2 -84.4 155.8 -9.3 3.7 5.4 57 73 A V + 0 0 0 -35,-2.2 -33,-0.4 -26,-0.8 25,-0.1 -0.781 62.3 139.2 -88.3 104.2 -8.6 5.7 8.5 58 74 A G > + 0 0 14 -2,-1.0 3,-2.6 23,-0.1 5,-0.1 0.141 28.6 74.8-112.3-126.8 -10.7 8.9 8.1 59 75 A G T 3 S+ 0 0 68 1,-0.3 19,-0.1 3,-0.1 -2,-0.0 -0.275 116.7 4.7 54.1-120.5 -12.8 10.7 10.7 60 76 A A T 3 S+ 0 0 43 17,-0.2 2,-1.1 18,-0.1 -1,-0.3 0.544 108.9 98.1 -72.3 -10.7 -10.4 12.7 13.0 61 77 A Y < + 0 0 3 -3,-2.6 -1,-0.1 1,-0.2 13,-0.0 -0.725 40.7 165.5 -85.7 101.6 -7.4 11.7 11.0 62 78 A R - 0 0 197 -2,-1.1 -35,-0.2 2,-0.0 -1,-0.2 0.447 43.1-131.7 -93.1 -3.0 -6.7 14.7 8.7 63 79 A A - 0 0 2 1,-0.2 -36,-3.1 -37,-0.1 2,-0.2 0.904 39.9-169.5 50.1 46.8 -3.2 13.7 7.7 64 80 A T > - 0 0 59 -38,-0.2 3,-1.5 1,-0.1 4,-0.5 -0.434 25.3-115.2 -73.9 136.8 -2.1 17.2 8.5 65 81 A L T 3 S+ 0 0 137 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 -0.442 105.3 30.0 -64.5 134.7 1.3 18.5 7.6 66 82 A G T > S+ 0 0 46 -2,-0.1 3,-1.3 -3,-0.1 -1,-0.2 0.035 93.1 90.5 102.7 -33.4 3.1 19.3 10.8 67 83 A D G X S+ 0 0 45 -3,-1.5 3,-1.5 1,-0.3 -2,-0.2 0.728 75.4 73.7 -69.2 -16.7 1.4 16.6 12.9 68 84 A D G 3 S+ 0 0 19 -4,-0.5 -1,-0.3 1,-0.3 -3,-0.1 0.810 90.2 57.4 -60.3 -33.6 4.3 14.5 11.7 69 85 A A G < S+ 0 0 71 -3,-1.3 -1,-0.3 4,-0.1 -2,-0.2 0.492 81.3 109.4 -78.8 -6.8 6.4 16.4 14.2 70 86 A L S X S- 0 0 71 -3,-1.5 3,-2.3 -4,-0.2 5,-0.1 -0.332 89.6 -95.3 -67.2 158.4 4.3 15.5 17.2 71 87 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.820 123.7 35.6 -41.1 -50.7 5.9 13.0 19.7 72 88 A R T 3 S- 0 0 80 2,-0.5 40,-0.2 1,-0.0 3,-0.1 0.298 120.1-101.8 -93.0 11.4 4.4 9.8 18.3 73 89 A G S < S+ 0 0 0 -3,-2.3 2,-0.3 1,-0.2 36,-0.2 0.574 98.6 35.9 83.4 7.5 4.5 11.0 14.7 74 90 A T S S- 0 0 4 34,-0.1 -2,-0.5 35,-0.1 -1,-0.2 -0.941 95.9 -69.2-170.7 178.3 0.8 11.9 14.5 75 91 A S > - 0 0 19 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.429 31.1-123.3 -86.2 157.8 -1.9 13.4 16.7 76 92 A S H > S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 114.7 57.8 -62.0 -35.5 -3.6 11.8 19.7 77 93 A A H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 105.8 48.8 -63.2 -38.1 -7.0 12.3 17.9 78 94 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 110.3 50.0 -68.7 -42.8 -5.7 10.3 14.9 79 95 A I H X S+ 0 0 10 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.934 109.6 52.1 -61.3 -43.3 -4.5 7.5 17.3 80 96 A R H X S+ 0 0 192 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.896 108.5 52.4 -59.6 -40.3 -7.9 7.5 18.9 81 97 A E H X S+ 0 0 47 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.957 112.3 42.3 -63.4 -52.7 -9.6 7.1 15.5 82 98 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.886 112.7 52.5 -65.2 -39.0 -7.6 4.1 14.4 83 99 A L H X S+ 0 0 30 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.894 108.3 54.5 -61.0 -37.0 -7.8 2.4 17.8 84 100 A G H X S+ 0 0 18 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.855 105.9 50.4 -64.3 -36.6 -11.6 3.0 17.5 85 101 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.898 109.4 50.5 -68.7 -40.7 -11.6 1.2 14.1 86 102 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.920 112.0 48.7 -62.7 -41.8 -9.8 -1.8 15.5 87 103 A Q H X S+ 0 0 90 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.913 110.1 50.7 -64.9 -41.9 -12.3 -1.9 18.3 88 104 A Q H X S+ 0 0 81 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.890 110.6 49.4 -62.4 -40.3 -15.2 -1.7 15.9 89 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 7,-0.3 0.927 109.7 52.3 -64.1 -44.0 -13.7 -4.6 13.8 90 106 A N H < S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 119.0 34.5 -60.4 -39.3 -13.3 -6.7 16.9 91 107 A T H < S+ 0 0 104 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.873 120.8 44.8 -86.0 -41.3 -16.9 -6.2 18.0 92 108 A K H < S+ 0 0 58 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.912 132.3 19.1 -70.6 -40.7 -18.7 -6.1 14.7 93 109 A a >< + 0 0 4 -4,-2.3 3,-1.9 -5,-0.4 -1,-0.2 -0.597 68.0 170.7-132.5 75.0 -16.8 -9.1 13.2 94 110 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.727 79.5 52.6 -56.1 -27.6 -15.2 -11.1 16.0 95 111 A D T 3 S+ 0 0 121 -79,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.538 86.5 111.0 -89.0 -5.8 -14.2 -14.0 13.7 96 112 A A < - 0 0 7 -3,-1.9 2,-0.4 -7,-0.3 -78,-0.2 -0.359 64.9-131.5 -73.9 145.5 -12.4 -11.8 11.2 97 113 A T E -c 18 0A 13 -80,-3.1 -78,-2.4 -2,-0.1 2,-0.3 -0.809 27.8-144.0 -90.9 135.8 -8.7 -11.8 10.6 98 114 A L E -cd 19 125A 2 26,-2.2 28,-2.3 -2,-0.4 29,-0.6 -0.763 19.8-179.8-104.1 147.9 -7.3 -8.2 10.6 99 115 A I E -cd 20 127A 0 -80,-2.2 -78,-2.2 -2,-0.3 2,-0.3 -0.960 10.4-170.8-138.2 151.7 -4.5 -6.8 8.5 100 116 A A E +cd 21 128A 0 27,-2.1 29,-1.8 -2,-0.3 2,-0.3 -0.893 10.2 172.2-141.9 170.1 -3.2 -3.3 8.6 101 117 A G E -cd 22 129A 0 -80,-1.5 -78,-1.9 -2,-0.3 2,-0.3 -0.978 4.4-174.7-169.1 165.7 -0.9 -0.8 6.8 102 118 A G E -cd 23 130A 0 27,-1.5 29,-2.6 -2,-0.3 2,-0.4 -0.964 11.8-148.4-167.5 156.3 0.2 2.8 6.7 103 119 A Y E > - d 0 131A 13 -80,-1.7 3,-2.1 -2,-0.3 29,-0.2 -0.983 64.8 -30.3-132.3 137.3 2.3 5.2 4.7 104 120 A S T >> S+ 0 0 9 27,-2.0 4,-1.6 -2,-0.4 3,-1.1 -0.281 139.1 1.7 60.7-128.2 4.2 8.2 5.9 105 121 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.865 135.0 61.2 -58.8 -32.5 2.4 9.8 8.9 106 122 A G H <> S+ 0 0 0 -3,-2.1 4,-2.5 -82,-0.4 -2,-0.3 0.790 99.4 53.8 -62.7 -29.2 -0.0 6.9 8.4 107 123 A A H <> S+ 0 0 0 -3,-1.1 4,-2.3 24,-0.2 -1,-0.2 0.905 109.5 47.2 -72.2 -41.1 2.8 4.4 9.1 108 124 A A H X S+ 0 0 2 -4,-1.6 4,-2.3 -35,-0.2 -2,-0.2 0.905 112.5 51.5 -65.4 -39.6 3.5 6.2 12.4 109 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -36,-0.2 -2,-0.2 0.943 109.2 48.5 -63.3 -47.5 -0.2 6.2 13.1 110 126 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.928 112.5 49.6 -59.6 -43.6 -0.5 2.4 12.5 111 127 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.900 112.4 45.5 -63.6 -43.5 2.5 1.8 14.7 112 128 A A H X S+ 0 0 5 -4,-2.3 4,-2.0 -40,-0.2 -1,-0.2 0.921 114.1 49.9 -65.2 -44.2 1.3 3.8 17.6 113 129 A S H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.941 112.5 45.6 -60.1 -50.4 -2.2 2.3 17.4 114 130 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.880 110.3 55.1 -63.5 -36.5 -1.0 -1.3 17.3 115 131 A E H < S+ 0 0 66 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.907 114.6 39.6 -61.3 -42.4 1.4 -0.5 20.2 116 132 A D H < S+ 0 0 73 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.599 92.3 115.0 -81.9 -16.6 -1.5 0.7 22.3 117 133 A L S < S- 0 0 6 -4,-1.4 2,-0.1 -3,-0.2 -3,-0.0 -0.138 79.3 -97.0 -59.5 148.1 -4.0 -1.9 21.3 118 134 A D >> - 0 0 93 1,-0.1 4,-2.6 4,-0.0 3,-0.7 -0.478 37.0-122.0 -61.2 137.5 -5.4 -4.4 23.7 119 135 A S H 3> S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.778 108.4 58.2 -57.1 -31.9 -3.4 -7.6 23.3 120 136 A A H 34 S+ 0 0 57 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.899 112.8 39.6 -66.9 -39.0 -6.4 -9.8 22.4 121 137 A I H X4 S+ 0 0 9 -3,-0.7 3,-1.5 2,-0.2 4,-0.4 0.913 111.9 56.8 -76.4 -39.5 -7.2 -7.6 19.4 122 138 A R H >< S+ 0 0 35 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.883 99.4 60.6 -59.2 -36.1 -3.5 -7.1 18.5 123 139 A D T 3< S+ 0 0 104 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.754 96.2 62.8 -63.2 -23.0 -3.2 -10.9 18.2 124 140 A K T < S+ 0 0 63 -3,-1.5 -26,-2.2 -4,-0.4 2,-1.1 0.613 77.8 95.7 -78.1 -11.9 -5.8 -10.8 15.5 125 141 A I E < -d 98 0A 0 -3,-1.8 -26,-0.2 -4,-0.4 3,-0.1 -0.718 54.2-174.5 -84.5 102.5 -3.7 -8.7 13.2 126 142 A A E - 0 0 3 -28,-2.3 2,-0.3 -2,-1.1 -27,-0.2 0.746 64.8 -4.2 -67.9 -29.5 -2.0 -11.3 10.9 127 143 A G E -d 99 0A 0 -29,-0.6 -27,-2.1 -3,-0.1 2,-0.4 -0.970 54.5-160.3-166.1 151.5 0.2 -8.8 9.2 128 144 A T E -de 100 151A 0 22,-2.6 24,-2.1 -2,-0.3 2,-0.4 -1.000 8.4-158.3-138.4 133.3 1.0 -5.1 8.9 129 145 A V E -de 101 152A 0 -29,-1.8 -27,-1.5 -2,-0.4 2,-0.4 -0.937 7.6-167.4-113.8 136.5 2.8 -3.3 6.0 130 146 A L E -de 102 153A 0 22,-2.8 24,-3.2 -2,-0.4 2,-0.4 -0.990 1.2-166.6-126.4 127.8 4.5 0.0 6.5 131 147 A F E S-de 103 154A 0 -29,-2.6 -27,-2.0 -2,-0.4 -24,-0.2 -0.934 75.8 -3.0-113.2 136.7 5.8 2.3 3.7 132 148 A G S S- 0 0 0 22,-2.4 2,-0.7 -2,-0.4 -1,-0.2 0.941 85.4-154.8 47.8 55.0 8.1 5.3 4.3 133 149 A Y > - 0 0 0 21,-0.4 3,-2.0 -3,-0.3 4,-0.3 -0.475 11.3-159.9 -67.4 104.8 7.9 4.5 8.0 134 150 A T T 3 S+ 0 0 2 -2,-0.7 4,-0.2 -30,-0.7 -1,-0.2 0.635 91.4 45.8 -63.7 -18.0 8.6 7.9 9.8 135 151 A K T 3> S+ 0 0 41 1,-0.1 4,-2.7 2,-0.1 6,-0.3 0.070 78.4 115.7-110.9 22.2 9.6 6.1 13.1 136 152 A N T <4>S+ 0 0 34 -3,-2.0 5,-2.6 25,-0.4 6,-0.3 0.923 81.1 37.1 -57.1 -49.2 11.8 3.5 11.4 137 153 A L T >45S+ 0 0 78 24,-0.4 3,-1.3 -4,-0.3 -1,-0.2 0.953 118.3 50.4 -71.0 -44.1 15.0 4.6 13.0 138 154 A Q T 345S+ 0 0 84 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.854 118.2 37.4 -61.0 -41.6 13.5 5.5 16.3 139 155 A N T ><5S- 0 0 52 -4,-2.7 3,-1.7 3,-0.1 -1,-0.3 0.230 110.4-119.2 -97.3 12.0 11.7 2.1 16.7 140 156 A R T < 5S- 0 0 184 -3,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.833 71.2 -55.1 53.2 38.5 14.6 0.2 15.1 141 157 A G T 3 -F 146 0B 0 3,-0.5 3,-2.2 -2,-0.2 -31,-0.1 -0.984 48.2-110.5-109.6 115.4 6.2 -1.8 15.7 144 160 A P T 3 S+ 0 0 32 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.243 98.6 8.9 -50.4 135.5 6.5 -1.9 19.6 145 161 A N T 3 S+ 0 0 106 1,-0.2 -23,-0.0 -29,-0.0 -3,-0.0 0.494 109.9 102.9 70.7 8.3 4.7 -4.9 21.1 146 162 A Y B < S-F 143 0B 3 -3,-2.2 -3,-0.5 -35,-0.0 -1,-0.2 -0.969 77.9-105.0-125.2 135.3 4.2 -6.5 17.7 147 163 A P > - 0 0 43 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.267 16.2-135.4 -62.0 139.1 6.2 -9.4 16.2 148 164 A A G > S+ 0 0 51 1,-0.3 3,-1.6 2,-0.2 -2,-0.0 0.830 102.0 63.6 -59.4 -36.1 8.8 -8.7 13.5 149 165 A D G 3 S+ 0 0 105 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.681 103.7 47.8 -66.7 -17.9 7.6 -11.7 11.5 150 166 A R G < S+ 0 0 59 -3,-1.4 -22,-2.6 -23,-0.1 2,-0.4 0.367 102.3 82.3 -99.9 2.9 4.2 -10.1 11.0 151 167 A T E < -e 128 0A 19 -3,-1.6 2,-0.4 -4,-0.2 -22,-0.2 -0.885 53.0-173.7-113.2 136.5 5.7 -6.8 10.0 152 168 A K E -e 129 0A 79 -24,-2.1 -22,-2.8 -2,-0.4 2,-0.5 -0.978 9.3-165.2-129.9 117.3 7.0 -5.7 6.6 153 169 A V E -e 130 0A 44 -2,-0.4 2,-0.6 -24,-0.2 -22,-0.2 -0.889 6.7-163.5-105.2 130.6 8.7 -2.4 6.3 154 170 A F E +e 131 0A 18 -24,-3.2 -22,-2.4 -2,-0.5 2,-0.4 -0.955 22.1 160.2-114.3 105.8 9.3 -0.7 2.9 155 171 A b - 0 0 45 -2,-0.6 2,-0.1 -24,-0.2 17,-0.1 -0.957 27.6-145.0-131.2 110.0 12.0 2.0 3.4 156 172 A N > - 0 0 47 -2,-0.4 3,-2.2 15,-0.2 6,-0.2 -0.393 28.2 -97.4 -75.8 151.4 13.8 3.1 0.2 157 173 A T T 3 S+ 0 0 144 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.476 115.7 23.7 -64.3 133.2 17.4 4.2 0.1 158 174 A G T 3 S+ 0 0 41 1,-0.3 2,-1.2 -2,-0.1 -1,-0.3 0.433 83.0 131.2 89.8 -7.5 17.3 7.9 0.2 159 175 A D X - 0 0 3 -3,-2.2 3,-1.6 12,-0.2 4,-0.4 -0.746 43.8-162.1 -81.1 103.9 13.9 8.1 1.9 160 176 A L G > >S+ 0 0 66 -2,-1.2 5,-2.0 1,-0.3 3,-1.4 0.768 80.8 67.1 -60.7 -27.5 14.9 10.5 4.7 161 177 A V G > 5S+ 0 0 3 6,-0.4 3,-0.8 1,-0.3 -25,-0.4 0.773 95.8 58.3 -67.1 -20.9 11.9 9.7 6.9 162 178 A b G < 5S+ 0 0 6 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.615 105.5 50.5 -81.1 -14.3 13.4 6.2 7.4 163 179 A T G < 5S- 0 0 97 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 -0.026 131.7 -80.0-113.9 28.3 16.6 7.7 8.8 164 180 A G T < 5S+ 0 0 36 -3,-0.8 -3,-0.2 1,-0.3 2,-0.2 0.468 95.5 106.6 95.5 2.4 15.2 10.0 11.4 165 181 A S < - 0 0 43 -5,-2.0 -1,-0.3 2,-0.1 -2,-0.1 -0.511 58.2-146.3-106.0 175.0 14.1 13.1 9.4 166 182 A L + 0 0 73 -2,-0.2 2,-0.2 -3,-0.1 -5,-0.1 0.360 60.2 120.7-119.9 1.1 10.7 14.3 8.4 167 183 A I - 0 0 102 -7,-0.1 2,-0.7 1,-0.1 -6,-0.4 -0.439 60.7-132.2 -72.2 137.9 11.8 15.7 5.0 168 184 A V + 0 0 88 -2,-0.2 2,-0.2 -8,-0.1 -1,-0.1 -0.809 32.4 172.1 -94.4 114.2 10.1 14.4 1.9 169 185 A A > - 0 0 30 -2,-0.7 3,-1.9 -11,-0.1 4,-0.4 -0.732 48.7 -88.3-115.8 170.1 12.6 13.4 -0.8 170 186 A A G > S+ 0 0 80 1,-0.3 3,-1.9 -2,-0.2 -11,-0.1 0.822 121.5 57.3 -47.3 -45.5 12.1 11.6 -4.2 171 187 A P G > S+ 0 0 38 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.740 96.4 66.1 -61.7 -22.6 12.5 8.0 -2.8 172 188 A H G < S+ 0 0 4 -3,-1.9 3,-0.3 -14,-0.3 -2,-0.2 0.671 100.8 50.1 -70.3 -17.7 9.7 8.6 -0.4 173 189 A L G < S+ 0 0 116 -3,-1.9 3,-0.3 -4,-0.4 -1,-0.2 0.203 91.7 81.7-105.8 16.4 7.3 8.9 -3.3 174 190 A A < + 0 0 50 -3,-1.2 4,-0.2 1,-0.2 -1,-0.2 -0.109 51.7 104.6-115.3 36.3 8.3 5.7 -5.0 175 191 A Y > + 0 0 2 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.394 47.7 102.2 -97.1 5.3 6.4 3.0 -3.1 176 192 A G H > S+ 0 0 13 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.906 80.9 49.2 -52.9 -51.0 3.8 2.4 -5.9 177 193 A P H > S+ 0 0 73 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.882 111.6 50.3 -59.0 -37.6 5.5 -0.8 -7.1 178 194 A D H 4>S+ 0 0 34 -4,-0.2 5,-2.5 1,-0.2 -2,-0.2 0.891 108.8 51.3 -67.5 -39.0 5.6 -2.1 -3.6 179 195 A A H <5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.1 0.782 112.3 47.5 -68.7 -26.9 2.0 -1.4 -3.0 180 196 A R H <5S+ 0 0 143 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.698 129.9 5.5 -88.3 -20.4 1.0 -3.2 -6.2 181 197 A G T X5S+ 0 0 25 -4,-1.3 4,-2.1 -3,-0.2 5,-0.2 0.579 124.3 31.4-126.3 -84.2 3.0 -6.3 -5.7 182 198 A P H >5S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.835 114.2 56.6 -53.2 -40.2 5.1 -7.4 -2.6 183 199 A A H > S+ 0 0 2 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.912 113.9 55.6 -66.6 -33.8 -0.4 -7.4 -0.9 185 201 A E H X S+ 0 0 148 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.893 108.7 49.3 -61.6 -37.1 1.4 -10.7 -1.5 186 202 A F H X S+ 0 0 35 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.962 113.5 45.3 -63.6 -51.8 2.8 -10.5 2.0 187 203 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.918 114.2 48.0 -58.6 -46.0 -0.6 -9.7 3.5 188 204 A I H X S+ 0 0 30 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.908 110.9 50.6 -63.5 -44.3 -2.4 -12.4 1.6 189 205 A E H X S+ 0 0 106 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.883 110.5 50.2 -62.4 -40.0 0.2 -15.1 2.5 190 206 A K H X S+ 0 0 44 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.890 112.7 46.1 -65.2 -39.8 -0.1 -14.1 6.2 191 207 A V H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.948 111.3 51.5 -66.5 -47.5 -3.9 -14.4 6.1 192 208 A R H < S+ 0 0 187 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.882 112.8 48.3 -56.9 -39.8 -3.8 -17.7 4.2 193 209 A A H >< S+ 0 0 56 -4,-2.0 3,-1.0 -5,-0.2 -2,-0.2 0.950 112.4 43.0 -69.4 -52.6 -1.4 -19.0 6.8 194 210 A V H 3< S+ 0 0 81 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.826 119.4 43.7 -65.2 -34.3 -3.2 -18.0 10.0 195 211 A R T 3< S+ 0 0 95 -4,-2.3 -1,-0.3 -5,-0.2 2,-0.2 0.376 106.6 87.3 -90.9 4.3 -6.6 -19.1 8.8 196 212 A G < 0 0 32 -3,-1.0 -3,-0.0 -5,-0.2 -4,-0.0 -0.675 360.0 360.0-108.6 163.3 -5.2 -22.3 7.3 197 213 A S 0 0 179 -2,-0.2 -1,-0.1 0, 0.0 -4,-0.0 0.089 360.0 360.0 157.8 360.0 -4.5 -25.8 8.5