==== 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 1CUJ . 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) . 8453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 69.5 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 . 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 . 12 6.1 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 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 0 238 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-123.3 4.8 67.3 32.6 2 18 A T + 0 0 43 1,-0.1 29,-2.3 30,-0.1 30,-2.2 0.512 360.0 58.5 -85.0 -6.1 6.0 63.9 31.3 3 19 A T + 0 0 80 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.984 57.8 163.5-120.4 127.4 4.5 61.7 34.0 4 20 A R + 0 0 37 -2,-0.5 52,-2.4 49,-0.0 3,-0.1 -0.989 11.4 168.1-141.7 126.4 0.7 61.7 34.8 5 21 A D B > +A 55 0A 48 -2,-0.4 4,-2.7 50,-0.2 5,-0.3 -0.286 23.9 143.1-127.4 50.4 -1.0 58.9 36.8 6 22 A D H > S+ 0 0 31 48,-2.2 4,-1.5 1,-0.2 49,-0.2 0.834 73.1 47.9 -67.6 -33.3 -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 0.940 114.5 45.0 -70.6 -46.6 -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 0.908 123.1 37.7 -63.6 -38.3 -4.1 55.3 39.3 9 25 A N H < S+ 0 0 123 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.719 96.4 110.3 -85.5 -19.4 -4.1 58.2 41.8 10 26 A G < - 0 0 13 -4,-1.5 2,-0.5 -5,-0.3 5,-0.1 -0.103 69.9-116.6 -67.9 148.5 -7.7 59.3 41.4 11 27 A N > - 0 0 114 3,-0.3 3,-1.8 1,-0.2 -1,-0.1 -0.743 11.0-146.6 -85.2 126.7 -10.4 58.9 43.9 12 28 A S G > S+ 0 0 72 -2,-0.5 3,-0.9 1,-0.3 -1,-0.2 0.804 99.3 60.8 -56.5 -33.9 -13.3 56.6 42.8 13 29 A A G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.695 112.4 37.5 -72.6 -14.7 -15.7 58.8 44.8 14 30 A S G < S+ 0 0 81 -3,-1.8 -1,-0.3 2,-0.0 -3,-0.3 -0.392 83.8 178.2-132.4 59.6 -14.8 61.8 42.6 15 31 A a < - 0 0 42 -3,-0.9 2,-0.1 77,-0.1 -3,-0.1 -0.268 28.8-119.9 -59.3 140.4 -14.3 60.3 39.1 16 32 A A - 0 0 1 1,-0.1 35,-0.2 2,-0.1 36,-0.2 -0.389 17.0-127.4 -69.6 159.9 -13.5 62.6 36.2 17 33 A D S S+ 0 0 73 34,-0.9 80,-2.7 33,-0.2 2,-0.4 0.732 94.4 37.1 -78.7 -26.7 -16.0 62.7 33.3 18 34 A V E -bc 52 97A 2 33,-1.7 35,-2.6 78,-0.2 2,-0.5 -0.995 66.8-165.9-130.2 134.1 -13.3 61.9 30.7 19 35 A I E -bc 53 98A 0 78,-2.2 80,-2.0 -2,-0.4 2,-0.5 -0.985 5.7-162.6-125.7 124.1 -10.2 59.6 31.1 20 36 A F E -bc 54 99A 0 33,-2.9 35,-2.7 -2,-0.5 2,-0.5 -0.918 2.6-168.6-107.6 125.3 -7.4 59.8 28.5 21 37 A I E -bc 55 100A 0 78,-2.1 80,-1.5 -2,-0.5 2,-0.4 -0.970 13.0-177.0-118.1 123.8 -4.9 56.9 28.3 22 38 A Y E -bc 56 101A 0 33,-2.0 35,-1.9 -2,-0.5 2,-0.5 -0.969 18.1-153.3-130.8 134.7 -1.8 57.6 26.2 23 39 A A E - c 0 102A 0 78,-2.2 80,-2.0 -2,-0.4 87,-0.1 -0.932 19.7-140.4-111.6 123.7 1.2 55.5 25.2 24 40 A R - 0 0 19 -2,-0.5 82,-0.3 7,-0.4 9,-0.1 -0.099 22.1 -99.1 -72.3 169.9 4.5 57.3 24.4 25 41 A G > - 0 0 1 80,-0.2 3,-1.8 1,-0.2 79,-0.1 -0.326 56.4 -59.6 -84.2 173.0 7.0 56.5 21.7 26 42 A S T 3 S+ 0 0 22 1,-0.3 38,-0.2 77,-0.1 -1,-0.2 -0.252 118.6 1.4 -58.4 136.6 10.3 54.5 21.8 27 43 A T T 3 S+ 0 0 114 36,-2.7 -1,-0.3 35,-0.3 2,-0.1 0.481 95.1 141.2 67.0 6.5 12.9 55.8 24.2 28 44 A E < - 0 0 30 -3,-1.8 -1,-0.2 35,-0.1 2,-0.1 -0.432 48.5-111.0 -78.4 158.9 10.7 58.7 25.4 29 45 A T S > S+ 0 0 93 -2,-0.1 4,-2.1 -3,-0.1 3,-0.5 -0.375 71.1 0.5 -92.4 165.9 10.6 59.7 29.1 30 46 A G T 4 S- 0 0 32 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.262 105.1 -69.1 59.1-145.4 8.0 59.6 31.8 31 47 A N T 4 S+ 0 0 7 -29,-2.3 26,-0.8 2,-0.1 -7,-0.4 0.334 132.8 47.5-121.1 8.6 4.9 57.9 30.7 32 48 A L T > S- 0 0 0 -30,-2.2 4,-1.6 -3,-0.5 3,-0.5 0.615 82.2-171.8-117.5 -18.1 3.8 60.7 28.3 33 49 A G T < - 0 0 1 -4,-2.1 -2,-0.1 -31,-0.5 -1,-0.1 -0.154 54.5 -33.7 58.6-147.5 7.0 61.5 26.3 34 50 A T T 4 S+ 0 0 96 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.764 136.9 34.0 -84.9 -29.0 7.2 64.5 24.0 35 51 A L T > S+ 0 0 10 -3,-0.5 4,-1.6 2,-0.1 3,-0.4 0.766 100.5 73.6 -98.6 -30.7 3.6 64.8 22.6 36 52 A G H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.869 91.8 55.0 -52.2 -45.6 1.4 63.6 25.5 37 53 A P H > S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.879 106.5 52.5 -61.4 -38.5 1.8 66.8 27.7 38 54 A S H > S+ 0 0 36 -3,-0.4 4,-1.5 -4,-0.3 -2,-0.2 0.917 112.1 44.3 -61.4 -44.5 0.6 69.1 24.8 39 55 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 3,-0.2 0.960 112.6 53.2 -66.9 -43.9 -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 0.912 105.0 52.9 -59.7 -43.9 -3.1 66.9 28.0 41 57 A S H X S+ 0 0 64 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.896 111.3 47.3 -61.0 -37.7 -2.9 70.7 28.6 42 58 A N H X S+ 0 0 63 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.860 110.3 51.5 -75.5 -29.6 -5.5 71.3 25.8 43 59 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.930 109.2 51.3 -71.0 -38.2 -7.8 68.6 27.3 44 60 A E H X S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.894 107.6 53.2 -64.3 -38.3 -7.6 70.3 30.7 45 61 A S H < S+ 0 0 102 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.897 114.2 42.4 -61.0 -38.4 -8.5 73.6 29.1 46 62 A A H < S+ 0 0 31 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.874 130.6 21.1 -77.5 -40.2 -11.6 72.1 27.6 47 63 A F H < S- 0 0 45 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.451 108.5-114.2-108.3 -9.0 -12.9 69.9 30.4 48 64 A G >X - 0 0 32 -4,-2.1 4,-1.0 -5,-0.4 3,-1.0 0.143 35.3 -78.8 86.3 155.2 -11.2 71.6 33.4 49 65 A K G >4 S+ 0 0 128 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.914 134.1 42.2 -56.1 -42.7 -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 0.620 106.9 64.8 -81.3 -8.1 -11.1 68.1 37.6 51 67 A G G <4 S+ 0 0 14 -3,-1.0 -33,-1.7 -35,-0.2 -34,-0.9 0.701 103.7 41.7 -88.2 -20.1 -13.1 67.1 34.5 52 68 A V E << - b 0 18A 0 -4,-1.0 2,-0.5 -3,-0.5 -33,-0.2 -0.983 62.3-155.6-133.5 135.0 -10.4 65.0 32.8 53 69 A W E - b 0 19A 25 -35,-2.6 -33,-2.9 -2,-0.4 2,-0.5 -0.924 13.7-155.7-103.7 127.1 -7.9 62.4 34.2 54 70 A I E + b 0 20A 0 -2,-0.5 -48,-2.2 -35,-0.2 2,-0.4 -0.903 14.3 179.6-107.3 132.1 -4.7 61.9 32.1 55 71 A Q E -Ab 5 21A 0 -35,-2.7 -33,-2.0 -2,-0.5 -50,-0.2 -0.956 12.8-156.2-136.0 114.9 -3.0 58.6 32.4 56 72 A G E - b 0 22A 0 -52,-2.4 2,-0.9 -2,-0.4 -33,-0.2 -0.472 30.7-109.2 -84.4 160.8 0.2 57.6 30.6 57 73 A V + 0 0 0 -35,-1.9 -33,-0.3 -26,-0.8 25,-0.1 -0.798 60.5 141.7 -92.9 107.5 1.0 53.9 30.1 58 74 A G > + 0 0 16 -2,-0.9 3,-2.6 23,-0.1 5,-0.1 0.142 30.0 73.4-112.5-126.6 4.0 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 -0.240 116.7 4.3 54.0-120.2 4.7 50.1 34.4 60 76 A A T 3 S+ 0 0 39 17,-0.2 2,-1.2 1,-0.1 -1,-0.3 0.590 106.6 101.3 -77.3 -8.4 5.8 47.2 32.2 61 77 A Y < + 0 0 1 -3,-2.6 -1,-0.1 1,-0.2 13,-0.0 -0.666 41.1 167.9 -84.9 105.1 5.8 49.5 29.1 62 78 A R - 0 0 165 -2,-1.2 -35,-0.3 2,-0.1 -1,-0.2 0.451 38.9-135.3 -86.2 -15.7 9.5 50.2 28.7 63 79 A A - 0 0 2 1,-0.2 -36,-2.7 -37,-0.1 2,-0.5 0.898 34.4-177.6 52.0 49.3 9.1 51.7 25.2 64 80 A T > - 0 0 66 -38,-0.2 3,-1.4 1,-0.1 4,-0.3 -0.643 27.0-138.1 -80.0 126.1 12.1 49.7 24.0 65 81 A L G > S+ 0 0 98 -2,-0.5 3,-2.1 1,-0.3 4,-0.2 0.869 98.9 59.2 -52.2 -45.0 13.0 50.5 20.4 66 82 A G G > S+ 0 0 53 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.782 89.7 73.0 -62.0 -23.9 13.7 46.9 19.4 67 83 A D G X S+ 0 0 41 -3,-1.4 3,-1.3 1,-0.3 -1,-0.3 0.674 76.0 79.8 -69.3 -7.9 10.2 45.8 20.4 68 84 A N G < S+ 0 0 17 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.776 88.6 58.3 -62.5 -24.2 8.9 47.6 17.2 69 85 A A G < S+ 0 0 79 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.565 82.5 103.7 -83.7 -11.2 10.0 44.5 15.4 70 86 A L S X S- 0 0 68 -3,-1.3 3,-2.4 -4,-0.2 5,-0.1 -0.327 92.0 -93.1 -69.5 158.6 7.9 42.1 17.4 71 87 A P T 3 S+ 0 0 121 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.821 125.0 33.5 -43.5 -47.9 4.6 40.7 15.7 72 88 A R T 3 S- 0 0 81 2,-0.5 40,-0.2 -5,-0.1 3,-0.1 0.399 118.3-104.5 -95.5 8.6 2.2 43.3 17.0 73 89 A G S < S+ 0 0 0 -3,-2.4 2,-0.3 1,-0.2 36,-0.2 0.596 98.6 43.5 80.3 9.9 4.8 46.1 17.0 74 90 A T S S- 0 0 5 34,-0.1 -2,-0.5 -6,-0.1 -1,-0.2 -0.937 96.0 -75.0-164.8 178.8 5.3 46.0 20.8 75 91 A S > - 0 0 23 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.481 29.9-123.4 -87.0 158.5 5.7 43.5 23.6 76 92 A S H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.875 113.8 57.4 -64.0 -36.5 3.0 41.3 25.1 77 93 A A H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 105.2 50.2 -62.2 -38.8 3.9 42.7 28.5 78 94 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 109.2 50.6 -68.1 -40.9 3.2 46.2 27.2 79 95 A I H X S+ 0 0 7 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.927 108.3 53.2 -60.8 -42.9 -0.2 45.2 25.8 80 96 A R H X S+ 0 0 203 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.925 108.3 51.6 -59.1 -40.2 -1.1 43.6 29.2 81 97 A E H X S+ 0 0 51 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.955 113.2 42.1 -63.2 -46.7 -0.2 46.9 30.9 82 98 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.921 113.1 53.3 -72.7 -36.1 -2.5 49.1 28.7 83 99 A L H X S+ 0 0 28 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.924 107.6 52.7 -59.5 -42.4 -5.3 46.6 28.8 84 100 A G H X S+ 0 0 21 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.868 107.1 51.7 -63.7 -34.2 -5.0 46.7 32.6 85 101 A L H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.928 109.2 48.8 -72.7 -37.9 -5.4 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 0.926 113.3 48.9 -63.9 -41.0 -8.5 50.4 30.4 87 103 A Q H X S+ 0 0 92 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 110.0 50.6 -64.6 -40.7 -9.9 47.8 32.8 88 104 A Q H X S+ 0 0 80 -4,-2.7 4,-2.8 2,-0.2 5,-0.4 0.911 110.4 50.3 -61.2 -41.4 -9.0 49.9 35.8 89 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 7,-0.2 0.941 110.6 49.5 -60.9 -43.9 -10.8 52.9 34.2 90 106 A N H < S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 117.2 40.6 -63.7 -38.9 -13.9 50.8 33.6 91 107 A T H < S+ 0 0 113 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.919 119.6 41.4 -75.2 -50.5 -14.0 49.6 37.1 92 108 A K H < S+ 0 0 50 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.915 132.8 19.2 -68.1 -39.5 -13.1 52.8 39.0 93 109 A a >< + 0 0 4 -4,-2.6 3,-1.7 -5,-0.4 -1,-0.2 -0.640 64.4 173.1-135.9 79.7 -15.3 55.1 36.8 94 110 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.776 80.1 50.1 -64.0 -23.0 -18.0 53.2 34.9 95 111 A D T 3 S+ 0 0 121 2,-0.1 2,-0.2 -77,-0.0 -5,-0.1 0.421 85.0 110.1 -96.6 5.0 -19.7 56.4 33.6 96 112 A A < - 0 0 5 -3,-1.7 2,-0.4 -7,-0.2 -78,-0.2 -0.503 67.8-127.2 -79.5 150.4 -16.6 58.1 32.2 97 113 A T E -c 18 0A 19 -80,-2.7 -78,-2.2 99,-0.2 2,-0.3 -0.792 28.6-145.2 -89.8 135.4 -16.0 58.5 28.5 98 114 A L E -cd 19 125A 2 26,-2.1 28,-2.5 -2,-0.4 29,-0.5 -0.706 19.1-179.5-103.7 154.6 -12.6 57.2 27.5 99 115 A I E -c 20 0A 0 -80,-2.0 -78,-2.1 -2,-0.3 2,-0.3 -0.963 9.8-166.6-144.5 155.3 -10.3 58.5 24.8 100 116 A A E +cd 21 128A 0 27,-2.0 29,-1.9 -2,-0.3 2,-0.3 -0.912 9.9 172.6-144.4 164.3 -6.9 57.1 23.9 101 117 A G E -cd 22 129A 0 -80,-1.5 -78,-2.2 -2,-0.3 2,-0.3 -0.987 4.0-176.5-165.2 166.6 -3.8 57.9 21.9 102 118 A G E -cd 23 130A 0 27,-1.7 29,-2.5 -2,-0.3 2,-0.5 -0.971 17.9-136.5-167.8 156.2 -0.2 56.8 21.1 103 119 A Y E > - d 0 131A 14 -80,-2.0 3,-2.3 -2,-0.3 29,-0.2 -0.978 66.1 -46.9-124.5 127.8 2.9 57.8 19.2 104 120 A C T >> S+ 0 0 8 27,-2.8 4,-2.0 -2,-0.5 3,-1.0 -0.342 139.0 11.6 54.6-123.0 4.9 55.4 17.1 105 121 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.898 132.9 56.0 -47.2 -39.6 5.4 52.2 19.2 106 122 A G H <> S+ 0 0 0 -3,-2.3 4,-2.4 -82,-0.3 -2,-0.3 0.797 103.7 52.8 -65.0 -28.0 2.8 53.6 21.5 107 123 A A H <> S+ 0 0 0 -3,-1.0 4,-2.7 24,-0.2 -2,-0.2 0.910 110.5 47.1 -72.1 -41.0 0.3 53.9 18.5 108 124 A A H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.933 113.3 50.0 -62.7 -41.1 0.9 50.2 17.8 109 125 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 -36,-0.2 5,-0.2 0.941 110.1 48.9 -61.5 -46.4 0.4 49.5 21.5 110 126 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.953 114.0 47.1 -60.8 -43.1 -2.9 51.5 21.5 111 127 A A H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.915 114.0 46.1 -66.0 -42.0 -4.1 49.6 18.4 112 128 A A H X S+ 0 0 5 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.929 114.7 48.0 -67.8 -41.3 -3.1 46.1 19.8 113 129 A S H X S+ 0 0 0 -4,-2.9 4,-1.2 -5,-0.2 -2,-0.2 0.937 112.4 47.5 -63.2 -46.3 -4.7 46.9 23.2 114 130 A I H >< S+ 0 0 0 -4,-2.7 3,-0.5 -5,-0.2 -1,-0.2 0.913 109.4 54.0 -66.5 -39.0 -7.9 48.2 21.6 115 131 A E H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.897 113.9 42.6 -58.1 -39.7 -8.2 45.2 19.3 116 132 A D H 3< S+ 0 0 73 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.601 91.9 113.4 -83.3 -15.3 -7.9 42.8 22.3 117 133 A L S << S- 0 0 4 -4,-1.2 2,-0.1 -3,-0.5 -3,-0.0 -0.235 80.3 -96.8 -61.1 145.7 -10.2 44.7 24.6 118 134 A D >> - 0 0 94 1,-0.1 4,-2.6 4,-0.1 3,-1.5 -0.418 38.6-122.0 -55.7 131.8 -13.5 43.5 25.8 119 135 A S H 3> S+ 0 0 59 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.809 107.6 59.0 -50.1 -39.2 -16.1 45.0 23.5 120 136 A A H 34 S+ 0 0 63 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.809 113.3 38.5 -69.2 -24.1 -18.1 46.7 26.2 121 137 A I H X4 S+ 0 0 9 -3,-1.5 3,-2.1 2,-0.2 4,-0.4 0.884 113.2 55.5 -87.8 -43.5 -15.0 48.7 27.3 122 138 A R H >< S+ 0 0 23 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.910 102.3 59.0 -51.7 -40.6 -13.7 49.3 23.7 123 139 A D T 3< S+ 0 0 91 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.581 96.8 61.1 -69.3 -9.6 -17.1 50.8 22.9 124 140 A K T < S+ 0 0 60 -3,-2.1 -26,-2.1 -5,-0.1 2,-1.2 0.467 77.3 97.7 -91.5 -7.0 -16.6 53.5 25.6 125 141 A I E < -d 98 0A 0 -3,-2.0 -26,-0.2 -4,-0.4 3,-0.1 -0.715 56.7-171.7 -84.6 101.9 -13.5 54.9 23.8 126 142 A A E - 0 0 4 -28,-2.5 2,-0.3 -2,-1.2 -1,-0.2 0.710 63.8 -0.9 -69.5 -23.1 -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 -0.945 57.4-160.3-166.0 146.1 -12.0 58.6 19.9 128 144 A T E -de 100 151A 0 22,-2.5 24,-2.3 -2,-0.3 2,-0.4 -1.000 6.9-158.3-132.7 133.9 -8.4 57.5 19.4 129 145 A V E -de 101 152A 0 -29,-1.9 -27,-1.7 -2,-0.4 2,-0.4 -0.925 7.3-170.3-113.9 135.2 -5.5 59.5 17.9 130 146 A L E -de 102 153A 0 22,-2.5 24,-2.9 -2,-0.4 2,-0.4 -0.985 2.1-165.9-125.0 125.8 -2.4 57.8 16.5 131 147 A F E S-de 103 154A 0 -29,-2.5 -27,-2.8 -2,-0.4 -24,-0.2 -0.938 76.5 -2.3-111.1 137.2 0.8 59.7 15.5 132 148 A G S S- 0 0 0 22,-2.6 2,-0.6 -2,-0.4 -1,-0.2 0.927 85.6-157.1 52.1 46.3 3.5 58.0 13.3 133 149 A Y > - 0 0 0 21,-0.4 3,-1.9 -3,-0.3 4,-0.2 -0.451 10.4-157.7 -64.4 109.1 1.4 54.8 13.4 134 150 A T T 3 S+ 0 0 6 -30,-0.6 4,-0.2 -2,-0.6 3,-0.2 0.642 92.4 47.4 -68.6 -17.6 3.9 51.9 12.7 135 151 A K T 3> S+ 0 0 44 -31,-0.2 4,-2.8 1,-0.1 6,-0.3 0.065 77.9 116.2-105.8 25.0 1.2 49.6 11.6 136 152 A N T <4>S+ 0 0 35 -3,-1.9 5,-2.3 25,-0.4 4,-0.3 0.954 81.6 36.2 -60.5 -47.9 -0.5 52.2 9.3 137 153 A L T >45S+ 0 0 77 24,-0.3 3,-1.4 -4,-0.2 -1,-0.2 0.968 118.4 51.1 -71.8 -43.7 0.2 50.3 6.0 138 154 A Q T 345S+ 0 0 81 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.882 119.3 35.3 -63.5 -39.4 -0.4 46.8 7.5 139 155 A N T ><5S- 0 0 55 -4,-2.8 3,-1.2 3,-0.1 -1,-0.3 0.306 109.7-120.5 -97.5 10.6 -3.7 47.7 9.1 140 156 A R T < 5S- 0 0 176 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.880 71.3 -53.8 50.8 44.4 -4.7 50.1 6.2 141 157 A G T 3 - 0 0 1 3,-0.4 3,-1.7 -2,-0.3 -31,-0.1 -0.970 47.5-106.3-105.3 124.2 -7.4 49.9 14.4 144 160 A P T 3 S+ 0 0 33 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.248 99.7 6.9 -52.8 135.3 -8.9 46.3 14.2 145 161 A N T 3 S+ 0 0 107 1,-0.2 -23,-0.0 -29,-0.0 -3,-0.0 0.583 108.8 104.0 68.9 17.3 -12.4 46.0 15.6 146 162 A Y S < S- 0 0 4 -3,-1.7 -3,-0.4 -23,-0.0 -1,-0.2 -0.982 77.2-101.4-133.2 137.5 -12.8 49.8 16.1 147 163 A P > - 0 0 47 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.244 17.3-134.1 -65.9 143.6 -14.8 52.2 13.9 148 164 A A G > S+ 0 0 54 1,-0.3 3,-1.5 2,-0.2 -2,-0.0 0.836 103.9 60.7 -57.7 -37.0 -13.1 54.4 11.3 149 165 A D G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.696 104.7 49.5 -71.7 -16.0 -15.1 57.5 12.4 150 166 A R G < S+ 0 0 62 -3,-1.3 -22,-2.5 -23,-0.1 2,-0.4 0.356 101.0 81.0 -97.9 2.7 -13.6 57.3 15.9 151 167 A T E < -e 128 0A 17 -3,-1.5 2,-0.4 -4,-0.3 -22,-0.2 -0.892 52.0-177.7-110.8 135.6 -10.0 56.9 14.6 152 168 A K E -e 129 0A 83 -24,-2.3 -22,-2.5 -2,-0.4 2,-0.4 -0.969 8.7-165.1-131.9 126.6 -7.7 59.8 13.5 153 169 A V E -e 130 0A 40 -2,-0.4 2,-0.6 -24,-0.2 -22,-0.2 -0.880 7.1-162.3-111.2 130.9 -4.2 58.9 12.2 154 170 A F E +e 131 0A 18 -24,-2.9 -22,-2.6 -2,-0.4 2,-0.5 -0.971 22.7 161.9-110.4 109.6 -1.5 61.5 11.8 155 171 A b - 0 0 42 -2,-0.6 2,-0.2 -24,-0.2 17,-0.1 -0.979 28.3-142.0-134.4 110.8 1.1 60.1 9.4 156 172 A N > - 0 0 46 -2,-0.5 3,-2.1 15,-0.2 6,-0.2 -0.520 27.3 -99.1 -72.4 147.3 3.5 62.6 7.8 157 173 A T T 3 S+ 0 0 142 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.436 114.3 21.5 -60.6 130.9 4.7 62.4 4.2 158 174 A G T 3 S+ 0 0 39 1,-0.2 2,-1.3 -2,-0.1 14,-0.3 0.517 83.7 127.9 84.2 3.9 8.2 60.8 4.4 159 175 A D X - 0 0 2 -3,-2.1 3,-2.2 12,-0.2 4,-0.4 -0.795 47.8-160.9 -89.2 99.9 7.6 59.3 7.8 160 176 A L G > >S+ 0 0 63 -2,-1.3 5,-2.0 1,-0.3 3,-1.4 0.733 80.2 69.6 -57.9 -23.5 8.7 55.8 6.7 161 177 A V G > 5S+ 0 0 2 6,-0.3 3,-0.7 1,-0.3 -25,-0.4 0.757 95.4 57.6 -70.2 -18.0 7.1 54.0 9.6 162 178 A b G < 5S+ 0 0 8 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.648 104.5 52.0 -82.1 -10.9 3.7 54.9 8.0 163 179 A T G < 5S- 0 0 96 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 -0.006 130.1 -82.7-119.7 27.9 4.6 53.2 4.8 164 180 A G T < 5S+ 0 0 36 -3,-0.7 -3,-0.2 1,-0.3 2,-0.2 0.497 95.7 104.7 92.3 4.3 5.7 49.8 6.2 165 181 A S < - 0 0 37 -5,-2.0 -1,-0.3 2,-0.1 -2,-0.1 -0.549 60.9-144.0-107.7 171.8 9.3 50.4 7.2 166 182 A L + 0 0 80 -2,-0.2 2,-0.3 -3,-0.1 -5,-0.1 0.151 58.9 123.9-119.3 21.0 10.9 50.9 10.7 167 183 A I - 0 0 104 -7,-0.1 2,-0.6 1,-0.0 -6,-0.3 -0.597 56.8-138.5 -79.2 137.9 13.5 53.5 9.6 168 184 A V + 0 0 86 -2,-0.3 2,-0.2 -8,-0.1 -9,-0.1 -0.896 30.3 170.6-102.0 116.6 13.3 56.8 11.6 169 185 A A > - 0 0 34 -2,-0.6 3,-1.9 -11,-0.1 4,-0.3 -0.756 50.3 -87.6-118.6 169.6 13.6 59.8 9.3 170 186 A A G > S+ 0 0 81 1,-0.3 3,-2.3 -2,-0.2 4,-0.1 0.827 119.4 63.9 -52.3 -40.9 13.1 63.6 10.2 171 187 A P G > S+ 0 0 39 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.762 91.7 68.5 -56.3 -22.7 9.3 63.7 9.4 172 188 A H G < S+ 0 0 9 -3,-1.9 3,-0.2 -14,-0.3 -2,-0.2 0.737 98.8 49.3 -66.7 -23.5 8.8 61.2 12.3 173 189 A L G < S+ 0 0 124 -3,-2.3 3,-0.3 -4,-0.3 -1,-0.3 0.171 91.1 84.1 -98.4 14.3 9.8 63.9 14.7 174 190 A A < + 0 0 53 -3,-1.4 4,-0.2 1,-0.2 -1,-0.2 -0.157 51.1 103.9-114.7 41.1 7.5 66.6 13.3 175 191 A Y > + 0 0 2 -3,-0.2 4,-2.2 1,-0.1 5,-0.2 0.441 47.2 102.2 -99.1 4.5 4.2 65.8 15.1 176 192 A G H > S+ 0 0 18 -3,-0.3 4,-1.6 1,-0.2 5,-0.2 0.914 80.8 49.6 -53.4 -52.3 4.4 68.7 17.6 177 193 A P H > S+ 0 0 78 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.912 111.6 50.2 -52.9 -44.5 1.8 71.0 15.6 178 194 A D H 4>S+ 0 0 32 -4,-0.2 5,-2.7 1,-0.2 3,-0.3 0.900 109.1 49.9 -61.3 -42.0 -0.6 68.1 15.4 179 195 A A H <5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.781 112.9 49.0 -68.6 -26.6 -0.4 67.3 19.1 180 196 A R H <5S+ 0 0 144 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.746 130.7 1.7 -82.3 -24.9 -1.0 71.0 19.9 181 197 A G T X5S+ 0 0 29 -4,-1.4 4,-2.4 -3,-0.3 -3,-0.2 0.611 125.0 34.0-129.8 -80.8 -4.1 71.5 17.7 182 198 A P H >5S+ 0 0 50 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.841 113.9 54.6 -66.1 -33.6 -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 0.899 114.9 58.0 -62.2 -34.1 -6.9 67.5 21.0 185 201 A E H X S+ 0 0 122 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.946 108.2 44.8 -59.0 -46.3 -9.5 69.1 18.6 186 202 A F H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.941 114.1 49.0 -62.2 -47.2 -10.6 65.7 17.4 187 203 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.916 112.5 47.2 -60.3 -43.3 -10.7 64.1 20.9 188 204 A I H X S+ 0 0 24 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.932 112.1 50.9 -65.6 -42.8 -12.7 67.0 22.3 189 205 A E H X S+ 0 0 102 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.921 110.9 48.3 -62.9 -39.5 -15.1 66.9 19.4 190 206 A K H X S+ 0 0 47 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.880 112.5 48.0 -72.0 -34.2 -15.6 63.1 19.8 191 207 A V H >X S+ 0 0 1 -4,-2.2 4,-3.1 -5,-0.2 3,-0.7 0.949 113.7 46.6 -68.2 -45.7 -16.2 63.4 23.6 192 208 A R H 3< S+ 0 0 122 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.823 102.6 65.9 -68.2 -27.4 -18.7 66.3 23.1 193 209 A A H 3< S+ 0 0 79 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.878 122.6 17.4 -60.9 -34.3 -20.5 64.3 20.3 194 210 A V H << S- 0 0 85 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.730 114.3-123.6-103.6 -29.3 -21.5 61.7 22.9 195 211 A R < - 0 0 161 -4,-3.1 2,-0.5 -5,-0.2 -4,-0.1 -0.215 16.6 -98.0 108.4 -26.2 -21.0 63.8 26.0 196 212 A G 0 0 11 1,-0.1 -99,-0.2 -5,-0.1 -4,-0.0 -0.893 360.0 360.0 117.9-114.5 -18.8 63.1 29.2 197 213 A S 0 0 93 -2,-0.5 -1,-0.1 -101,-0.1 -101,-0.1 0.240 360.0 360.0-164.2 360.0 -20.6 61.6 32.4