==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE ESTERASE) 16-NOV-95 1CUI . COMPND 2 MOLECULE: CUTINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NECTRIA HAEMATOCOCCA MPVI; . AUTHOR C.MARTINEZ,C.CAMBILLAU . 197 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 68.0 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 . 11 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 15.7 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 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 0 234 0, 0.0 39,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-120.2 4.6 67.4 32.6 2 18 A T + 0 0 44 30,-0.1 29,-2.3 1,-0.1 30,-2.3 0.553 360.0 57.0 -84.4 -8.3 5.9 63.9 31.4 3 19 A T + 0 0 80 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.987 58.4 164.4-121.1 125.0 4.5 61.7 34.1 4 20 A R + 0 0 36 -2,-0.5 52,-2.4 49,-0.0 3,-0.1 -0.986 11.2 166.8-138.6 125.3 0.7 61.7 34.8 5 21 A D B > +A 55 0A 47 -2,-0.4 4,-2.7 50,-0.2 5,-0.3 -0.252 23.4 143.0-128.5 50.4 -1.0 58.9 36.8 6 22 A D H > S+ 0 0 32 48,-2.2 4,-1.5 1,-0.2 49,-0.2 0.829 72.9 47.9 -67.1 -33.0 -4.4 60.6 37.3 7 23 A L H 4 S+ 0 0 0 47,-0.2 -1,-0.2 2,-0.2 48,-0.1 0.953 114.4 45.1 -71.9 -46.4 -6.4 57.4 37.0 8 24 A I H 4 S+ 0 0 76 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.906 122.8 37.9 -63.3 -38.4 -4.2 55.4 39.4 9 25 A N H < S+ 0 0 126 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.707 96.5 107.8 -83.8 -21.2 -4.1 58.2 41.9 10 26 A G S < S- 0 0 14 -4,-1.5 2,-0.5 -5,-0.3 5,-0.1 -0.128 71.0-115.0 -70.1 150.9 -7.7 59.3 41.5 11 27 A N > - 0 0 113 3,-0.3 3,-1.6 1,-0.1 -1,-0.1 -0.749 10.8-147.1 -86.1 126.3 -10.5 58.9 43.9 12 28 A S G > S+ 0 0 73 -2,-0.5 3,-0.9 1,-0.3 -1,-0.1 0.801 99.7 62.2 -59.1 -30.1 -13.4 56.6 42.8 13 29 A A G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.735 112.3 36.7 -71.4 -18.0 -15.7 58.8 44.8 14 30 A S G < S+ 0 0 79 -3,-1.6 -1,-0.3 2,-0.0 -3,-0.3 -0.374 83.8 178.0-132.0 60.2 -14.8 61.7 42.6 15 31 A a < - 0 0 42 -3,-0.9 2,-0.1 77,-0.1 -3,-0.1 -0.244 28.7-121.4 -58.6 140.3 -14.4 60.3 39.1 16 32 A A - 0 0 1 1,-0.1 35,-0.2 2,-0.1 36,-0.2 -0.414 17.6-127.0 -70.0 161.5 -13.5 62.6 36.2 17 33 A D S S+ 0 0 73 34,-0.9 80,-2.7 1,-0.2 2,-0.4 0.718 94.7 38.7 -79.1 -25.6 -16.0 62.6 33.3 18 34 A V E -bc 52 97A 3 33,-1.7 35,-2.5 78,-0.2 2,-0.5 -0.996 66.4-167.0-130.3 130.2 -13.3 61.9 30.7 19 35 A I E -bc 53 98A 0 78,-2.2 80,-2.1 -2,-0.4 2,-0.5 -0.987 6.7-162.1-122.7 123.1 -10.3 59.6 31.1 20 36 A F E -bc 54 99A 0 33,-2.9 35,-2.5 -2,-0.5 2,-0.5 -0.909 2.3-167.0-105.2 124.8 -7.5 59.9 28.6 21 37 A I E -bc 55 100A 0 78,-2.2 80,-1.7 -2,-0.5 2,-0.4 -0.967 12.9-176.1-116.6 122.2 -5.0 56.9 28.3 22 38 A Y E -bc 56 101A 0 33,-2.2 35,-2.1 -2,-0.5 2,-0.5 -0.971 18.0-155.9-127.4 134.7 -1.9 57.6 26.3 23 39 A A E - c 0 102A 0 78,-2.2 80,-2.0 -2,-0.4 87,-0.1 -0.932 20.6-139.4-111.8 124.7 1.1 55.5 25.2 24 40 A R - 0 0 19 -2,-0.5 82,-0.3 7,-0.4 9,-0.1 -0.137 21.5-100.1 -73.5 170.3 4.5 57.3 24.4 25 41 A G > - 0 0 0 1,-0.2 3,-1.6 80,-0.2 79,-0.2 -0.261 57.7 -57.4 -83.8 178.2 6.9 56.6 21.6 26 42 A S T 3 S+ 0 0 25 1,-0.2 38,-0.2 38,-0.1 -1,-0.2 -0.280 118.5 0.6 -64.8 137.3 10.2 54.6 21.8 27 43 A T T 3 S+ 0 0 113 36,-2.7 -1,-0.2 35,-0.2 37,-0.1 0.528 95.0 143.3 66.5 10.6 12.8 55.8 24.2 28 44 A E < - 0 0 29 -3,-1.6 -1,-0.2 35,-0.2 2,-0.1 -0.420 47.0-110.9 -80.9 159.2 10.6 58.7 25.5 29 45 A T S > S- 0 0 92 -3,-0.1 4,-2.1 -2,-0.1 3,-0.4 -0.411 70.9 -1.1 -93.3 164.7 10.6 59.8 29.1 30 46 A G T 4 S- 0 0 31 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.264 105.4 -68.3 59.4-143.1 8.0 59.5 31.9 31 47 A N T 4 S+ 0 0 6 -29,-2.3 26,-0.8 2,-0.1 -7,-0.4 0.359 132.9 47.4-121.9 7.5 4.8 57.9 30.7 32 48 A L T > S- 0 0 0 -30,-2.3 4,-1.7 -3,-0.4 3,-0.5 0.597 82.2-171.8-115.6 -19.5 3.7 60.8 28.3 33 49 A G T < - 0 0 2 -4,-2.1 -1,-0.1 -31,-0.6 -2,-0.1 -0.176 54.5 -33.2 61.6-148.9 6.9 61.5 26.4 34 50 A T T 4 S+ 0 0 98 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.779 137.4 33.9 -83.2 -30.5 7.1 64.5 24.0 35 51 A L T > S+ 0 0 10 -3,-0.5 4,-1.5 2,-0.1 3,-0.4 0.788 100.4 73.5 -97.3 -31.6 3.6 64.8 22.6 36 52 A G H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.868 92.0 55.3 -53.3 -45.1 1.4 63.7 25.6 37 53 A P H > S+ 0 0 27 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.884 106.8 51.8 -61.4 -37.9 1.8 66.9 27.7 38 54 A S H > S+ 0 0 38 -3,-0.4 4,-1.4 -4,-0.3 -2,-0.2 0.914 112.6 44.1 -64.4 -41.9 0.6 69.1 24.9 39 55 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 3,-0.3 0.959 112.6 53.7 -67.1 -44.3 -2.5 67.1 24.3 40 56 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.913 105.2 52.5 -58.4 -44.7 -3.1 66.9 28.1 41 57 A S H X S+ 0 0 65 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.886 111.5 47.1 -61.9 -34.6 -2.9 70.7 28.6 42 58 A N H X S+ 0 0 63 -4,-1.4 4,-1.6 -3,-0.3 -1,-0.2 0.848 110.3 51.4 -79.9 -27.9 -5.6 71.3 25.9 43 59 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.916 109.4 51.5 -71.3 -39.4 -7.9 68.6 27.3 44 60 A E H X S+ 0 0 31 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.892 107.4 53.0 -63.4 -38.9 -7.6 70.3 30.7 45 61 A S H < S+ 0 0 101 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.889 114.5 42.7 -61.3 -37.2 -8.5 73.7 29.1 46 62 A A H < S+ 0 0 32 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.869 131.0 20.0 -77.4 -41.3 -11.6 72.1 27.6 47 63 A F H < S- 0 0 47 -4,-2.6 4,-0.2 1,-0.1 -3,-0.2 0.497 108.0-114.9-107.7 -10.1 -12.9 70.0 30.5 48 64 A G >X - 0 0 32 -4,-2.1 4,-1.1 -5,-0.4 3,-0.9 0.133 34.3 -79.7 86.3 155.7 -11.2 71.6 33.4 49 65 A K G >4 S+ 0 0 125 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.916 133.3 43.9 -56.7 -44.8 -8.6 70.0 35.7 50 66 A D G 34 S+ 0 0 150 1,-0.2 -1,-0.3 -6,-0.1 -33,-0.2 0.630 107.9 62.1 -76.3 -11.1 -11.2 68.1 37.7 51 67 A G G <4 S+ 0 0 13 -3,-0.9 -33,-1.7 -4,-0.2 -34,-0.9 0.681 104.1 42.6 -89.1 -20.4 -13.1 67.1 34.5 52 68 A V E << - b 0 18A 0 -4,-1.1 2,-0.5 -3,-0.5 -33,-0.2 -0.984 62.1-156.1-133.5 134.7 -10.4 65.0 32.8 53 69 A W E - b 0 19A 25 -35,-2.5 -33,-2.9 -2,-0.4 2,-0.5 -0.932 13.2-154.8-105.3 128.1 -7.9 62.5 34.2 54 70 A I E - b 0 20A 0 -2,-0.5 -48,-2.2 -35,-0.2 2,-0.4 -0.911 14.4-179.3-109.1 130.6 -4.8 62.0 32.1 55 71 A Q E -Ab 5 21A 0 -35,-2.5 -33,-2.2 -2,-0.5 -50,-0.2 -0.949 12.3-156.4-134.9 116.7 -3.0 58.7 32.4 56 72 A G E - b 0 22A 0 -52,-2.4 2,-0.9 -2,-0.4 -33,-0.2 -0.458 29.8-110.9 -87.1 157.3 0.1 57.6 30.7 57 73 A V + 0 0 0 -35,-2.1 -33,-0.3 -26,-0.8 25,-0.1 -0.783 59.6 142.0 -91.5 108.3 1.0 53.9 30.1 58 74 A G > + 0 0 15 -2,-0.9 3,-2.7 23,-0.1 5,-0.1 0.132 30.1 71.3-112.8-129.3 3.9 53.2 32.4 59 75 A G T 3 S+ 0 0 45 1,-0.3 19,-0.1 3,-0.1 -2,-0.0 -0.254 116.8 6.1 53.8-118.3 4.7 50.1 34.4 60 76 A A T 3 S+ 0 0 37 17,-0.2 2,-1.2 1,-0.1 -1,-0.3 0.605 106.5 99.8 -75.5 -10.9 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 -0.673 42.6 168.1 -84.4 105.2 5.7 49.5 29.1 62 78 A R - 0 0 164 -2,-1.2 -35,-0.2 2,-0.1 -1,-0.2 0.459 38.8-135.2 -86.4 -16.0 9.4 50.2 28.7 63 79 A A - 0 0 1 1,-0.2 -36,-2.7 -37,-0.1 2,-0.4 0.874 35.4-177.7 53.1 47.4 9.1 51.7 25.2 64 80 A T > - 0 0 65 -38,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.596 28.9-137.3 -78.7 126.6 12.1 49.8 24.1 65 81 A L G > S+ 0 0 102 -2,-0.4 3,-1.9 1,-0.3 4,-0.2 0.863 100.2 60.1 -50.8 -42.5 13.1 50.5 20.4 66 82 A G G > S+ 0 0 50 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.803 90.1 70.7 -60.7 -26.4 13.7 46.8 19.6 67 83 A D G X S+ 0 0 39 -3,-1.5 3,-1.5 1,-0.3 -1,-0.3 0.682 77.1 79.5 -72.4 -7.9 10.1 45.9 20.4 68 84 A N G < S+ 0 0 22 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.775 89.7 57.0 -65.1 -22.1 8.9 47.6 17.3 69 85 A A G < S+ 0 0 79 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.498 82.5 106.1 -88.7 -3.9 10.0 44.5 15.4 70 86 A L S X S- 0 0 67 -3,-1.5 3,-2.5 -4,-0.2 5,-0.1 -0.379 91.4 -94.5 -73.0 156.8 7.8 42.1 17.4 71 87 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.835 124.6 33.6 -43.4 -47.9 4.7 40.7 15.7 72 88 A R T 3 S- 0 0 83 2,-0.5 40,-0.2 -5,-0.1 3,-0.1 0.386 118.7-103.6 -95.0 8.8 2.2 43.4 17.0 73 89 A G S < S+ 0 0 0 -3,-2.5 2,-0.3 1,-0.2 36,-0.2 0.598 98.6 43.2 82.4 7.7 4.8 46.2 17.0 74 90 A T S S- 0 0 4 34,-0.1 -2,-0.5 -6,-0.1 -1,-0.2 -0.930 95.6 -75.1-163.3 179.4 5.2 46.1 20.8 75 91 A S > - 0 0 20 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.510 30.1-123.3 -86.4 158.0 5.7 43.5 23.6 76 92 A S H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 114.2 57.2 -62.2 -38.4 3.0 41.2 25.1 77 93 A A H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.882 105.4 50.1 -61.4 -39.6 3.9 42.7 28.5 78 94 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 109.1 50.4 -67.3 -40.9 3.2 46.2 27.2 79 95 A I H X S+ 0 0 8 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.927 108.7 52.9 -62.3 -42.5 -0.3 45.2 25.8 80 96 A R H X S+ 0 0 205 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.908 108.2 51.7 -60.1 -38.6 -1.1 43.6 29.2 81 97 A E H X S+ 0 0 53 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.956 113.2 42.1 -64.9 -46.6 -0.2 46.9 30.9 82 98 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.924 113.0 53.5 -73.4 -36.4 -2.5 49.1 28.7 83 99 A L H X S+ 0 0 28 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.924 107.8 52.6 -58.1 -41.8 -5.3 46.5 28.8 84 100 A G H X S+ 0 0 21 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.862 107.2 51.4 -64.0 -34.1 -5.1 46.7 32.6 85 101 A L H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.923 109.6 48.8 -73.6 -36.7 -5.4 50.5 32.6 86 102 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.920 113.1 49.1 -65.1 -40.5 -8.5 50.4 30.4 87 103 A Q H X S+ 0 0 94 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.915 109.5 51.4 -65.3 -40.3 -9.9 47.8 32.8 88 104 A Q H X S+ 0 0 81 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.891 109.9 50.1 -60.5 -40.1 -9.0 49.9 35.8 89 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 7,-0.2 0.945 110.2 49.9 -65.0 -41.8 -10.8 52.9 34.2 90 106 A N H < S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.844 117.4 40.3 -63.1 -39.1 -13.9 50.8 33.6 91 107 A T H < S+ 0 0 114 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.901 119.9 41.6 -75.9 -49.0 -14.0 49.5 37.2 92 108 A K H < S+ 0 0 49 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.892 133.1 18.0 -69.1 -38.9 -13.1 52.7 39.0 93 109 A a >< + 0 0 4 -4,-2.6 3,-1.8 -5,-0.3 -1,-0.2 -0.618 65.2 173.8-136.9 77.9 -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 -2,-0.1 0.759 80.2 49.3 -64.4 -21.0 -17.9 53.2 34.9 95 111 A D T 3 S+ 0 0 122 2,-0.1 2,-0.1 -77,-0.0 -5,-0.1 0.409 84.6 112.0 -99.0 6.1 -19.7 56.3 33.6 96 112 A A < - 0 0 5 -3,-1.8 2,-0.4 -7,-0.2 -78,-0.2 -0.493 67.7-127.7 -77.6 147.3 -16.6 58.1 32.3 97 113 A T E -c 18 0A 19 -80,-2.7 -78,-2.2 99,-0.2 2,-0.3 -0.787 29.2-144.5 -87.7 135.7 -16.1 58.5 28.6 98 114 A L E -cd 19 125A 1 26,-2.2 28,-2.5 -2,-0.4 29,-0.5 -0.742 19.5-178.7-103.9 153.8 -12.7 57.2 27.5 99 115 A I E -c 20 0A 0 -80,-2.1 -78,-2.2 -2,-0.3 2,-0.3 -0.967 9.8-166.7-143.0 155.3 -10.3 58.6 24.9 100 116 A A E +cd 21 128A 0 27,-2.0 29,-2.0 -2,-0.3 2,-0.3 -0.925 10.3 171.6-144.8 163.6 -7.0 57.2 23.9 101 117 A G E -cd 22 129A 0 -80,-1.7 -78,-2.2 -2,-0.3 2,-0.3 -0.989 4.7-175.4-165.2 165.5 -3.8 57.9 21.9 102 118 A G E -cd 23 130A 0 27,-1.8 29,-2.5 -2,-0.3 2,-0.5 -0.974 16.5-139.3-166.3 154.4 -0.4 56.8 21.1 103 119 A Y E > - d 0 131A 17 -80,-2.0 3,-2.3 -2,-0.3 29,-0.2 -0.977 66.0 -44.6-121.9 128.1 2.8 57.8 19.3 104 120 A A T >> S+ 0 0 4 27,-2.7 4,-2.0 -2,-0.5 3,-1.0 -0.317 138.5 9.9 58.3-121.4 4.9 55.4 17.2 105 121 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.885 133.1 57.0 -54.9 -36.6 5.4 52.2 19.2 106 122 A G H <> S+ 0 0 0 -3,-2.3 4,-2.5 -82,-0.3 -2,-0.3 0.807 103.2 52.8 -64.1 -28.4 2.7 53.6 21.6 107 123 A A H <> S+ 0 0 0 -3,-1.0 4,-2.5 24,-0.2 -2,-0.2 0.905 110.5 46.7 -75.1 -37.9 0.3 53.9 18.5 108 124 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.915 113.4 50.4 -65.6 -38.6 0.9 50.2 17.7 109 125 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -36,-0.2 5,-0.2 0.934 110.3 48.5 -62.0 -46.0 0.4 49.5 21.5 110 126 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.949 113.4 48.0 -62.9 -42.5 -2.9 51.5 21.5 111 127 A A H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.915 113.8 46.1 -64.4 -42.8 -4.1 49.6 18.4 112 128 A A H X S+ 0 0 4 -4,-2.6 4,-1.7 -40,-0.2 -1,-0.2 0.916 114.5 48.2 -66.9 -40.9 -3.1 46.1 19.8 113 129 A S H X S+ 0 0 0 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.945 112.4 47.4 -63.6 -47.4 -4.8 46.9 23.2 114 130 A I H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.914 109.8 53.8 -65.4 -38.2 -8.0 48.2 21.6 115 131 A E H < S+ 0 0 70 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.882 114.7 41.1 -59.5 -39.5 -8.2 45.2 19.3 116 132 A D H < S+ 0 0 76 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.607 92.4 112.2 -84.8 -16.0 -7.9 42.8 22.3 117 133 A L S < S- 0 0 4 -4,-1.4 2,-0.1 -3,-0.4 -3,-0.0 -0.187 81.3 -95.4 -60.3 146.4 -10.2 44.8 24.7 118 134 A D >> - 0 0 99 1,-0.1 4,-2.7 2,-0.1 3,-1.5 -0.455 37.9-121.8 -59.0 134.1 -13.5 43.5 25.8 119 135 A S H 3> S+ 0 0 59 1,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.826 108.2 59.3 -49.5 -40.8 -16.1 45.0 23.5 120 136 A A H 34 S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.787 113.4 37.9 -67.1 -24.5 -18.1 46.7 26.3 121 137 A I H X4 S+ 0 0 11 -3,-1.5 3,-1.9 2,-0.2 4,-0.4 0.857 113.5 55.7 -89.7 -41.6 -15.0 48.7 27.3 122 138 A R H >< S+ 0 0 25 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.921 102.0 59.2 -55.5 -39.5 -13.7 49.3 23.7 123 139 A D T 3< S+ 0 0 93 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.633 96.3 61.7 -68.1 -10.7 -17.1 50.8 22.9 124 140 A K T < S+ 0 0 57 -3,-1.9 -26,-2.2 -5,-0.1 2,-1.1 0.495 77.5 97.7 -89.7 -7.5 -16.6 53.5 25.6 125 141 A I E < -d 98 0A 0 -3,-1.9 -26,-0.2 -4,-0.4 3,-0.1 -0.707 55.9-172.3 -85.2 102.1 -13.5 54.9 23.8 126 142 A A E + 0 0 3 -28,-2.5 2,-0.3 -2,-1.1 -27,-0.2 0.686 64.3 0.3 -72.1 -20.9 -15.1 57.8 22.0 127 143 A G E - 0 0 0 -29,-0.5 -27,-2.0 -3,-0.1 2,-0.4 -0.938 57.2-160.9-165.8 146.0 -12.0 58.7 20.0 128 144 A T E -de 100 151A 0 22,-2.4 24,-2.2 -2,-0.3 2,-0.4 -1.000 7.1-159.4-132.9 131.5 -8.4 57.5 19.5 129 145 A V E -de 101 152A 0 -29,-2.0 -27,-1.8 -2,-0.4 2,-0.4 -0.937 7.1-170.3-111.5 135.1 -5.6 59.5 17.9 130 146 A L E -de 102 153A 0 22,-2.4 24,-2.9 -2,-0.4 2,-0.4 -0.984 2.1-166.5-125.5 127.6 -2.5 57.8 16.5 131 147 A F E S-de 103 154A 0 -29,-2.5 -27,-2.7 -2,-0.4 -24,-0.2 -0.933 76.1 -0.2-111.7 139.4 0.7 59.7 15.5 132 148 A G S S- 0 0 0 22,-2.4 2,-0.7 -2,-0.4 -1,-0.2 0.929 85.2-156.5 52.2 47.3 3.4 58.0 13.4 133 149 A Y > - 0 0 0 21,-0.4 3,-2.0 -3,-0.3 4,-0.3 -0.436 10.7-160.3 -65.9 109.6 1.4 54.8 13.4 134 150 A T T 3 S+ 0 0 6 -2,-0.7 4,-0.2 -30,-0.6 -1,-0.2 0.651 91.5 46.2 -71.0 -16.0 3.8 52.0 12.8 135 151 A K T 3> S+ 0 0 43 -31,-0.2 4,-2.8 1,-0.1 6,-0.3 0.118 78.9 116.5-108.0 24.3 1.1 49.6 11.6 136 152 A N T <4>S+ 0 0 35 -3,-2.0 5,-2.4 25,-0.4 4,-0.3 0.948 81.4 36.4 -57.1 -49.9 -0.5 52.2 9.3 137 153 A L T >45S+ 0 0 74 24,-0.3 3,-1.3 -4,-0.3 -1,-0.2 0.959 117.9 51.1 -71.4 -43.5 0.1 50.3 6.1 138 154 A Q T 345S+ 0 0 80 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.881 119.1 35.8 -61.2 -41.1 -0.4 46.8 7.5 139 155 A N T ><5S- 0 0 53 -4,-2.8 3,-1.4 3,-0.1 -1,-0.3 0.285 110.3-120.3 -95.7 9.3 -3.8 47.7 9.1 140 156 A R T < 5S- 0 0 177 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.868 71.4 -54.2 52.8 41.2 -4.8 50.0 6.2 141 157 A G T 3 - 0 0 1 3,-0.4 3,-1.8 -2,-0.3 -31,-0.1 -0.961 47.3-106.1-105.1 125.8 -7.5 49.9 14.4 144 160 A P T 3 S+ 0 0 35 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.281 100.0 6.4 -55.8 136.8 -8.9 46.3 14.2 145 161 A N T 3 S+ 0 0 108 1,-0.2 -23,-0.0 -29,-0.0 -3,-0.0 0.569 109.2 105.1 67.3 17.1 -12.5 46.0 15.6 146 162 A Y S < S- 0 0 4 -3,-1.8 -3,-0.4 -23,-0.0 -1,-0.2 -0.976 76.5-102.6-131.7 138.6 -12.8 49.8 16.1 147 163 A P > - 0 0 46 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.287 16.4-135.6 -66.5 143.1 -14.8 52.2 13.9 148 164 A A G > S+ 0 0 51 1,-0.3 3,-1.7 2,-0.2 -2,-0.0 0.857 103.2 61.1 -60.9 -35.4 -13.1 54.5 11.4 149 165 A D G 3 S+ 0 0 103 1,-0.3 -1,-0.3 -22,-0.0 -3,-0.0 0.713 105.4 48.8 -69.2 -16.6 -15.2 57.5 12.4 150 166 A R G < S+ 0 0 66 -3,-1.3 -22,-2.4 -23,-0.1 2,-0.4 0.368 101.3 80.7 -98.9 3.1 -13.7 57.3 15.9 151 167 A T E < -e 128 0A 17 -3,-1.7 2,-0.4 -4,-0.3 -22,-0.2 -0.885 52.0-177.6-110.9 136.5 -10.1 57.0 14.7 152 168 A K E -e 129 0A 82 -24,-2.2 -22,-2.4 -2,-0.4 2,-0.4 -0.971 8.8-165.3-131.1 128.5 -7.8 59.8 13.5 153 169 A V E -e 130 0A 39 -2,-0.4 2,-0.6 -24,-0.2 -22,-0.2 -0.889 7.3-161.2-112.8 134.8 -4.3 58.9 12.2 154 170 A F E +e 131 0A 17 -24,-2.9 -22,-2.4 -2,-0.4 2,-0.5 -0.972 22.4 163.3-113.1 107.2 -1.6 61.6 11.8 155 171 A b - 0 0 43 -2,-0.6 2,-0.1 -24,-0.2 17,-0.1 -0.976 27.6-142.4-130.8 111.1 1.0 60.1 9.4 156 172 A N > - 0 0 49 -2,-0.5 3,-2.0 15,-0.2 6,-0.2 -0.495 28.1 -98.4 -71.6 146.6 3.4 62.7 7.9 157 173 A T T 3 S+ 0 0 143 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.442 114.2 21.9 -61.3 130.5 4.6 62.5 4.2 158 174 A G T 3 S+ 0 0 41 1,-0.3 2,-1.2 -2,-0.1 14,-0.3 0.520 83.1 128.7 84.7 4.4 8.1 60.9 4.4 159 175 A D X - 0 0 3 -3,-2.0 3,-1.9 12,-0.2 4,-0.4 -0.813 46.7-160.8 -89.3 103.6 7.5 59.2 7.9 160 176 A L G > >S+ 0 0 65 -2,-1.2 5,-2.1 1,-0.3 3,-1.3 0.750 80.7 70.1 -62.3 -22.2 8.6 55.8 6.7 161 177 A V G > 5S+ 0 0 3 6,-0.4 3,-0.7 1,-0.3 -25,-0.4 0.781 95.5 57.2 -68.9 -18.7 7.0 54.0 9.6 162 178 A b G < 5S+ 0 0 8 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.639 104.6 52.1 -82.9 -10.5 3.6 54.9 8.0 163 179 A T G < 5S- 0 0 95 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 -0.011 130.5 -82.5-120.1 29.8 4.5 53.2 4.8 164 180 A G T < 5S+ 0 0 35 -3,-0.7 2,-0.2 1,-0.3 -3,-0.2 0.504 94.8 107.3 91.5 5.9 5.6 49.8 6.2 165 181 A S < - 0 0 38 -5,-2.1 -1,-0.3 2,-0.1 -2,-0.1 -0.556 59.9-145.1-107.0 169.0 9.2 50.4 7.3 166 182 A L + 0 0 82 -2,-0.2 2,-0.3 -3,-0.1 -5,-0.1 0.224 59.3 124.0-114.5 16.5 10.8 50.8 10.7 167 183 A I - 0 0 103 -7,-0.1 2,-0.7 1,-0.1 -6,-0.4 -0.543 57.4-137.1 -76.2 136.4 13.3 53.5 9.7 168 184 A V + 0 0 83 -2,-0.3 2,-0.2 -8,-0.1 -9,-0.1 -0.848 31.1 170.0 -97.7 112.9 13.2 56.7 11.6 169 185 A A > - 0 0 32 -2,-0.7 3,-2.0 -11,-0.1 4,-0.4 -0.740 50.2 -89.0-115.4 168.8 13.5 59.8 9.4 170 186 A A G > S+ 0 0 79 1,-0.3 3,-2.0 -2,-0.2 -11,-0.1 0.807 119.9 61.9 -52.0 -41.1 13.0 63.5 10.3 171 187 A P G > S+ 0 0 39 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.768 93.3 67.2 -59.7 -23.0 9.1 63.6 9.5 172 188 A H G < S+ 0 0 14 -3,-2.0 3,-0.2 -14,-0.3 -2,-0.2 0.735 101.6 48.0 -65.0 -23.5 8.6 61.0 12.3 173 189 A L G < S+ 0 0 120 -3,-2.0 3,-0.3 -4,-0.4 -1,-0.3 0.161 93.3 82.6-101.0 15.1 9.8 63.7 14.8 174 190 A A < + 0 0 51 -3,-1.4 4,-0.3 1,-0.2 -1,-0.2 -0.092 50.4 105.1-117.5 39.1 7.5 66.4 13.5 175 191 A Y > + 0 0 2 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.458 46.3 103.6 -97.5 4.1 4.2 65.7 15.1 176 192 A G H > S+ 0 0 17 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.903 80.2 49.7 -50.2 -53.7 4.4 68.6 17.6 177 193 A P H > S+ 0 0 78 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.905 111.5 50.0 -53.1 -43.2 1.9 70.9 15.7 178 194 A D H 4>S+ 0 0 33 -4,-0.3 5,-2.7 1,-0.2 3,-0.5 0.907 108.5 50.6 -64.1 -41.5 -0.6 68.1 15.5 179 195 A A H <5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.778 112.7 49.3 -68.2 -25.6 -0.4 67.3 19.2 180 196 A R H <5S+ 0 0 142 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.704 130.6 2.3 -82.9 -21.8 -1.0 71.0 19.9 181 197 A G T X5S+ 0 0 27 -4,-1.2 4,-2.4 -3,-0.5 -3,-0.2 0.562 125.2 33.4-131.6 -82.8 -4.0 71.5 17.7 182 198 A P H >5S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.829 113.5 54.6 -64.3 -33.9 -5.8 68.9 15.5 183 199 A A H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.903 114.7 57.6 -61.1 -37.5 -6.9 67.5 21.0 185 201 A E H X S+ 0 0 123 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.941 108.7 44.7 -55.8 -46.8 -9.5 69.2 18.7 186 202 A F H X S+ 0 0 20 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.929 114.0 49.2 -62.0 -46.5 -10.6 65.7 17.4 187 203 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.907 112.3 47.3 -62.4 -41.7 -10.7 64.2 20.9 188 204 A I H X S+ 0 0 25 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.922 112.2 51.0 -66.3 -42.2 -12.8 67.1 22.3 189 205 A E H X S+ 0 0 101 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.916 111.0 47.5 -62.4 -40.4 -15.2 66.9 19.4 190 206 A K H X S+ 0 0 46 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.859 112.4 48.9 -73.8 -33.9 -15.7 63.1 19.8 191 207 A V H >X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 3,-0.7 0.947 113.3 46.5 -66.6 -47.0 -16.2 63.4 23.5 192 208 A R H 3< S+ 0 0 124 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.820 102.7 66.0 -67.5 -26.2 -18.8 66.3 23.1 193 209 A A H 3< S+ 0 0 77 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.876 122.2 18.1 -60.8 -36.3 -20.5 64.3 20.3 194 210 A V H << S- 0 0 82 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.742 114.5-124.4-101.1 -29.6 -21.6 61.6 22.8 195 211 A R < - 0 0 162 -4,-3.0 2,-0.4 -5,-0.2 -4,-0.1 -0.266 16.7 -97.7 108.0 -29.2 -21.1 63.8 26.0 196 212 A G 0 0 11 1,-0.1 -99,-0.2 -5,-0.1 -4,-0.0 -0.861 360.0 360.0 120.9-111.6 -18.9 63.1 29.2 197 213 A S 0 0 96 -2,-0.4 -1,-0.1 -101,-0.1 -101,-0.1 0.308 360.0 360.0-163.8 360.0 -20.6 61.6 32.4