==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-SEP-08 3EF3 . COMPND 2 MOLECULE: CUTINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM SOLANI F. SP. PISI; . AUTHOR L.RUTTEN,J.P.B.A.MANNIE,M.LUTZ,P.GROS . 196 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 13.3 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 . 9 4.6 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 . 57 29.1 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 17 A R 0 0 195 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.8 -0.5 32.1 27.7 2 18 A T + 0 0 48 1,-0.1 30,-2.6 30,-0.1 29,-1.7 0.456 360.0 62.6 -80.4 -1.8 -1.7 29.2 29.9 3 19 A T + 0 0 75 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.986 60.1 168.3-127.3 121.3 -4.1 28.0 27.2 4 20 A R + 0 0 59 -2,-0.4 52,-2.2 1,-0.0 3,-0.1 -0.998 12.9 166.9-134.0 130.0 -2.9 26.8 23.7 5 21 A D B > +A 55 0A 43 -2,-0.4 4,-2.4 50,-0.2 5,-0.2 -0.198 26.0 138.8-132.8 40.8 -5.0 25.0 21.1 6 22 A D T 4 S+ 0 0 41 48,-2.1 4,-0.2 1,-0.2 49,-0.2 0.811 76.3 44.6 -61.2 -33.6 -2.8 25.3 18.0 7 23 A L T >4 S+ 0 0 0 47,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.944 115.0 43.7 -76.7 -51.7 -3.6 21.7 17.0 8 24 A I T 34 S+ 0 0 74 1,-0.3 -2,-0.2 3,-0.0 -1,-0.1 0.815 121.7 41.1 -68.5 -26.6 -7.3 21.6 17.5 9 25 A N T 3< S+ 0 0 132 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.460 101.6 99.4 -91.6 -5.4 -7.8 25.0 15.9 10 26 A G < - 0 0 17 -3,-0.8 2,-0.4 -5,-0.2 5,-0.1 -0.357 63.6-138.9 -83.6 162.6 -5.2 24.2 13.2 11 27 A N > - 0 0 79 3,-0.2 3,-2.1 -2,-0.1 -2,-0.1 -0.943 19.5-122.5-126.8 146.2 -6.0 23.1 9.6 12 28 A S G > S+ 0 0 83 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.613 108.0 65.5 -60.5 -14.3 -4.3 20.4 7.5 13 29 A A G 3 S+ 0 0 86 1,-0.2 -1,-0.3 80,-0.0 80,-0.0 0.624 111.1 32.5 -84.9 -14.9 -3.6 23.0 4.8 14 30 A S G < S+ 0 0 82 -3,-2.1 -1,-0.2 2,-0.0 -3,-0.2 -0.303 82.8 170.7-137.2 52.3 -1.1 24.9 7.0 15 31 A a < - 0 0 46 -3,-0.5 2,-0.2 77,-0.1 -3,-0.1 -0.308 30.4-126.7 -62.5 140.8 0.5 22.3 9.3 16 32 A A - 0 0 4 1,-0.1 35,-0.2 2,-0.1 36,-0.1 -0.545 16.8-125.8 -78.3 156.4 3.5 23.2 11.5 17 33 A D S S+ 0 0 94 33,-0.3 80,-2.8 34,-0.2 2,-0.4 0.718 96.4 40.3 -73.1 -22.2 6.6 21.0 11.1 18 34 A V E -bc 52 97A 2 33,-0.8 35,-2.6 78,-0.2 2,-0.4 -0.988 65.8-167.5-133.0 134.7 6.5 20.3 14.9 19 35 A I E -bc 53 98A 0 78,-2.5 80,-2.2 -2,-0.4 2,-0.5 -0.988 5.0-164.1-129.3 122.0 3.6 19.6 17.2 20 36 A F E -bc 54 99A 0 33,-3.1 35,-2.7 -2,-0.4 2,-0.5 -0.930 1.7-168.7-109.6 122.9 3.9 19.6 21.0 21 37 A I E -bc 55 100A 1 78,-2.2 80,-1.6 -2,-0.5 2,-0.4 -0.962 13.0-176.6-115.4 123.4 1.2 18.0 23.2 22 38 A Y E -bc 56 101A 0 33,-2.3 35,-2.0 -2,-0.5 2,-0.5 -0.974 18.6-152.1-132.4 133.5 1.4 18.8 26.9 23 39 A A E - c 0 102A 0 78,-2.3 80,-1.8 -2,-0.4 87,-0.1 -0.920 19.8-142.3-109.5 123.5 -0.5 17.7 30.0 24 40 A R - 0 0 26 -2,-0.5 82,-0.2 7,-0.5 9,-0.1 -0.079 23.7 -95.8 -74.0 171.9 -0.7 20.0 33.0 25 41 A G > - 0 0 1 80,-0.2 3,-1.8 1,-0.2 79,-0.1 -0.361 57.4 -65.8 -82.3 168.1 -0.6 19.1 36.7 26 42 A S T 3 S+ 0 0 13 1,-0.3 38,-0.2 77,-0.1 -1,-0.2 -0.264 119.4 4.6 -55.4 137.5 -3.6 18.6 39.0 27 43 A T T 3 S+ 0 0 104 36,-2.7 -1,-0.3 35,-0.3 37,-0.1 0.349 94.1 146.9 69.6 -3.3 -5.6 21.8 39.6 28 44 A E < - 0 0 28 -3,-1.8 -1,-0.2 35,-0.1 2,-0.1 -0.251 48.0-109.8 -68.1 154.1 -3.5 23.8 37.2 29 45 A T S > S- 0 0 95 -3,-0.1 4,-2.0 3,-0.1 3,-0.4 -0.371 75.1 -3.9 -84.8 159.1 -5.0 26.6 35.1 30 46 A G T 4 S- 0 0 33 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.257 104.6 -68.2 60.7-148.6 -5.7 26.6 31.4 31 47 A N T 4 S+ 0 0 10 -29,-1.7 26,-0.7 2,-0.1 -7,-0.5 0.361 133.7 45.2-115.3 3.0 -4.4 23.6 29.5 32 48 A L T > S- 0 0 0 -30,-2.6 4,-1.8 -3,-0.4 3,-0.5 0.589 82.4-174.8-115.7 -16.4 -0.7 24.3 30.1 33 49 A G T < - 0 0 3 -4,-2.0 -1,-0.1 -31,-0.6 -2,-0.1 -0.149 56.8 -28.5 55.9-144.1 -0.5 25.3 33.8 34 50 A T T 4 S+ 0 0 91 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.798 138.4 31.0 -80.5 -32.6 2.7 26.6 35.3 35 51 A L T >> S+ 0 0 7 -3,-0.5 4,-1.7 2,-0.1 3,-0.5 0.802 101.4 72.4-100.5 -33.3 5.4 24.8 33.2 36 52 A G H 3X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.856 93.6 54.6 -55.1 -45.5 3.9 24.4 29.7 37 53 A P H 3> S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.878 107.7 50.8 -60.0 -36.9 4.1 28.1 28.7 38 54 A S H <> S+ 0 0 19 -3,-0.5 4,-1.6 -4,-0.3 -2,-0.2 0.893 111.5 47.2 -66.1 -41.2 7.8 28.2 29.4 39 55 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.958 112.4 51.2 -62.7 -47.0 8.4 25.1 27.3 40 56 A A H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.887 106.6 52.8 -57.0 -46.3 6.3 26.6 24.5 41 57 A S H X S+ 0 0 58 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.893 111.5 46.7 -58.9 -42.4 8.2 29.9 24.5 42 58 A N H X S+ 0 0 55 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.873 110.6 51.9 -69.6 -36.2 11.5 28.1 24.1 43 59 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.919 110.7 48.7 -64.1 -41.2 10.1 25.9 21.4 44 60 A E H X S+ 0 0 30 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.850 108.2 54.3 -67.6 -35.0 8.9 29.0 19.5 45 61 A S H < S+ 0 0 102 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.875 114.7 41.3 -62.5 -39.0 12.3 30.6 20.0 46 62 A A H < S+ 0 0 26 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.864 131.2 21.5 -77.0 -38.9 14.0 27.6 18.4 47 63 A F H < S- 0 0 48 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.549 108.4-109.2-109.9 -11.2 11.6 26.9 15.5 48 64 A G >X - 0 0 33 -4,-2.2 3,-1.6 -5,-0.3 4,-0.5 0.107 36.9 -83.9 87.5 150.6 9.8 30.2 15.0 49 65 A K G >4 S+ 0 0 162 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.879 134.6 47.1 -53.2 -39.8 6.1 30.8 15.9 50 66 A D G 34 S+ 0 0 159 1,-0.2 -33,-0.3 -6,-0.1 -1,-0.3 0.498 102.7 67.4 -80.8 -4.2 5.1 29.3 12.6 51 67 A G G <4 S+ 0 0 15 -3,-1.6 -33,-0.8 -7,-0.2 2,-0.3 0.552 101.8 39.2 -94.7 -9.2 7.4 26.3 13.1 52 68 A V E << - b 0 18A 0 -3,-0.7 2,-0.5 -4,-0.5 -33,-0.2 -1.000 61.2-147.2-146.1 139.7 5.6 24.7 16.0 53 69 A W E - b 0 19A 30 -35,-2.6 -33,-3.1 -2,-0.3 2,-0.5 -0.931 16.9-154.6-102.1 132.6 2.0 24.0 17.2 54 70 A I E + b 0 20A 0 -2,-0.5 -48,-2.1 -35,-0.2 2,-0.4 -0.937 16.9 175.6-108.7 126.5 1.5 24.0 21.0 55 71 A Q E -Ab 5 21A 2 -35,-2.7 -33,-2.3 -2,-0.5 -50,-0.2 -0.963 14.1-158.4-136.9 117.6 -1.4 22.0 22.3 56 72 A G E - b 0 22A 0 -52,-2.2 2,-0.8 -2,-0.4 -33,-0.2 -0.554 32.0-106.8 -86.6 159.7 -2.4 21.4 25.9 57 73 A V + 0 0 0 -35,-2.0 -33,-0.3 -26,-0.7 25,-0.1 -0.787 58.3 144.0 -91.8 110.3 -4.6 18.5 27.0 58 74 A G > + 0 0 20 -2,-0.8 3,-2.3 23,-0.1 5,-0.1 0.125 31.7 70.4-112.3-133.0 -8.0 19.7 27.8 59 75 A G T 3 S+ 0 0 69 1,-0.3 19,-0.1 3,-0.1 -2,-0.0 -0.252 116.0 5.9 59.8-125.2 -11.4 18.1 27.2 60 76 A A T 3 S+ 0 0 35 17,-0.2 2,-1.2 18,-0.1 -1,-0.3 0.583 106.5 100.0 -71.3 -11.0 -12.0 15.1 29.4 61 77 A Y < + 0 0 4 -3,-2.3 -1,-0.1 17,-0.2 13,-0.0 -0.686 43.6 169.6 -78.8 100.1 -8.8 15.7 31.3 62 78 A R - 0 0 195 -2,-1.2 -35,-0.3 2,-0.1 -1,-0.2 0.576 35.2-139.3 -87.0 -14.3 -10.1 17.4 34.4 63 79 A A + 0 0 2 1,-0.2 -36,-2.7 -37,-0.1 2,-0.3 0.903 36.1 175.5 54.4 46.7 -6.8 17.3 36.3 64 80 A T > - 0 0 67 -38,-0.2 3,-0.8 1,-0.1 4,-0.3 -0.647 36.3-131.8 -86.4 141.5 -8.5 16.3 39.5 65 81 A L G > S+ 0 0 110 -2,-0.3 3,-1.6 1,-0.2 4,-0.3 0.855 102.5 60.5 -60.1 -39.6 -6.3 15.5 42.6 66 82 A G G > S+ 0 0 53 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.821 91.0 69.0 -58.8 -32.7 -8.2 12.3 43.4 67 83 A D G X S+ 0 0 38 -3,-0.8 3,-1.3 1,-0.3 -1,-0.3 0.664 80.7 75.3 -66.9 -16.1 -7.3 10.8 40.1 68 84 A N G < S+ 0 0 17 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.778 89.9 60.3 -59.7 -26.5 -3.7 10.5 41.1 69 85 A A G < S+ 0 0 81 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.587 81.0 105.0 -82.2 -11.3 -4.7 7.6 43.3 70 86 A L S X S- 0 0 72 -3,-1.3 3,-2.1 -4,-0.2 5,-0.1 -0.339 90.1-103.2 -65.6 150.7 -6.1 5.6 40.3 71 87 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.818 122.1 40.6 -47.6 -39.5 -3.8 2.6 39.2 72 88 A R T 3 S- 0 0 87 2,-0.5 40,-0.2 -5,-0.1 3,-0.1 0.456 117.0-110.3 -91.0 0.3 -2.4 4.5 36.2 73 89 A G S < S+ 0 0 0 -3,-2.1 2,-0.3 1,-0.2 36,-0.2 0.532 93.9 41.3 85.4 6.8 -2.1 7.8 38.1 74 90 A T S S- 0 0 3 34,-0.2 -2,-0.5 -6,-0.1 -1,-0.2 -0.928 95.9 -74.2-164.6 179.1 -4.9 9.4 36.0 75 91 A S > - 0 0 21 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.506 29.3-125.1 -88.4 156.8 -8.3 8.5 34.6 76 92 A S H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.871 112.9 56.0 -64.3 -37.0 -9.1 6.4 31.6 77 93 A A H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.871 106.2 50.1 -61.7 -38.3 -11.1 9.2 30.1 78 94 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 108.9 52.1 -67.7 -40.6 -8.1 11.5 30.3 79 95 A I H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.930 108.2 50.5 -61.1 -44.7 -5.9 8.9 28.6 80 96 A R H X S+ 0 0 162 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.867 109.2 54.0 -60.6 -35.0 -8.4 8.6 25.8 81 97 A E H X S+ 0 0 67 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.954 111.3 41.7 -64.6 -50.7 -8.3 12.4 25.5 82 98 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.911 113.2 54.4 -66.6 -38.8 -4.5 12.6 25.1 83 99 A L H X S+ 0 0 25 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.914 106.3 53.9 -52.5 -47.0 -4.6 9.6 22.8 84 100 A G H X S+ 0 0 27 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.840 106.3 51.4 -58.5 -38.3 -7.1 11.4 20.6 85 101 A L H X S+ 0 0 7 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.903 109.2 48.7 -70.3 -41.5 -4.8 14.4 20.3 86 102 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.917 113.3 49.0 -60.3 -42.0 -1.8 12.4 19.2 87 103 A Q H X S+ 0 0 95 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.894 109.9 51.2 -64.7 -39.3 -4.1 10.7 16.7 88 104 A Q H X S+ 0 0 57 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.914 109.8 49.4 -63.7 -43.1 -5.4 14.1 15.5 89 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 7,-0.2 0.937 111.4 50.6 -60.2 -44.1 -1.8 15.3 15.0 90 106 A N H < S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.848 117.5 38.4 -62.0 -38.9 -1.0 12.2 13.1 91 107 A T H < S+ 0 0 113 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.907 120.0 43.1 -79.4 -46.7 -4.1 12.6 10.8 92 108 A K H < S+ 0 0 43 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.878 131.8 19.5 -70.4 -37.0 -4.0 16.3 10.3 93 109 A a >< + 0 0 3 -4,-2.3 3,-1.9 -5,-0.4 -1,-0.3 -0.650 65.8 173.2-138.8 73.1 -0.3 16.7 9.8 94 110 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.711 80.8 51.1 -61.7 -21.4 1.3 13.3 8.8 95 111 A D T 3 S+ 0 0 141 2,-0.1 2,-0.1 -77,-0.0 -5,-0.1 0.487 86.7 111.4 -94.3 -2.0 4.7 14.8 8.2 96 112 A A < - 0 0 7 -3,-1.9 2,-0.4 -7,-0.2 -78,-0.2 -0.423 66.6-129.3 -73.4 142.0 4.9 16.6 11.5 97 113 A T E -c 18 0A 10 -80,-2.8 -78,-2.5 -2,-0.1 2,-0.3 -0.773 28.0-143.3 -83.9 135.2 7.4 15.6 14.2 98 114 A L E +cd 19 125A 1 26,-2.3 28,-2.4 -2,-0.4 29,-0.6 -0.734 20.4 179.0-101.9 148.7 5.7 15.2 17.5 99 115 A I E -cd 20 127A 0 -80,-2.2 -78,-2.2 -2,-0.3 2,-0.3 -0.964 8.8-169.4-141.0 156.5 7.0 16.0 21.0 100 116 A A E +cd 21 128A 0 27,-2.0 29,-2.0 -2,-0.3 2,-0.3 -0.928 9.7 169.2-144.4 165.5 5.2 15.6 24.3 101 117 A G E -cd 22 129A 0 -80,-1.6 -78,-2.3 -2,-0.3 2,-0.3 -0.986 4.8-176.1-167.8 167.9 5.4 16.5 28.0 102 118 A G E -cd 23 130A 0 27,-1.6 29,-2.6 -2,-0.3 2,-0.4 -0.955 17.0-137.0-169.7 156.1 3.6 16.5 31.3 103 119 A Y E > - d 0 131A 19 -80,-1.8 3,-2.5 -2,-0.3 29,-0.2 -0.982 67.2 -42.2-121.3 129.0 3.8 17.5 35.0 104 120 A S T >> S+ 0 0 12 27,-2.6 4,-1.8 -2,-0.4 3,-1.1 -0.333 140.4 9.9 60.3-120.1 2.7 15.4 38.0 105 121 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.886 132.7 57.8 -55.3 -36.1 -0.6 13.9 37.0 106 122 A G H <> S+ 0 0 0 -3,-2.5 4,-2.5 2,-0.2 -1,-0.3 0.783 102.1 53.7 -66.6 -27.5 0.1 15.1 33.5 107 123 A A H <> S+ 0 0 0 -3,-1.1 4,-2.4 24,-0.2 -1,-0.2 0.908 109.6 46.8 -69.7 -43.8 3.4 13.1 33.5 108 124 A A H X S+ 0 0 2 -4,-1.8 4,-2.7 -35,-0.2 -2,-0.2 0.908 113.6 50.8 -59.7 -40.0 1.4 10.0 34.4 109 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.924 109.7 48.0 -65.2 -47.3 -1.1 10.9 31.7 110 126 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.932 114.0 48.1 -57.7 -44.8 1.6 11.4 29.0 111 127 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.918 113.7 45.9 -64.9 -42.4 3.2 8.1 30.0 112 128 A A H X S+ 0 0 6 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.925 114.9 46.6 -67.7 -44.4 -0.1 6.2 29.9 113 129 A S H X S+ 0 0 0 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.922 112.4 49.6 -63.2 -45.8 -1.2 7.7 26.6 114 130 A I H >< S+ 0 0 0 -4,-2.5 3,-0.9 -5,-0.3 -1,-0.2 0.922 108.6 53.3 -62.3 -42.3 2.2 7.1 24.9 115 131 A E H 3< S+ 0 0 70 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.890 110.1 48.7 -54.8 -40.2 2.2 3.5 26.0 116 132 A D H 3< S+ 0 0 74 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.516 90.2 104.4 -87.4 -6.2 -1.2 2.9 24.5 117 133 A L S << S- 0 0 3 -3,-0.9 2,-0.2 -4,-0.8 -3,-0.0 -0.285 80.8 -99.9 -67.0 155.2 -0.5 4.5 21.1 118 134 A D >> - 0 0 128 1,-0.1 4,-2.7 4,-0.0 3,-1.1 -0.547 35.7-116.8 -67.9 145.7 0.1 2.5 17.9 119 135 A S H 3> S+ 0 0 70 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.804 112.1 65.1 -57.7 -31.8 3.8 2.3 17.1 120 136 A A H 34 S+ 0 0 66 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.876 112.7 32.9 -60.5 -37.8 3.3 4.3 13.9 121 137 A I H X4 S+ 0 0 14 -3,-1.1 3,-1.3 2,-0.2 4,-0.4 0.899 117.5 53.7 -83.8 -44.9 2.2 7.3 15.9 122 138 A R H >< S+ 0 0 26 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.883 102.2 60.1 -55.5 -39.8 4.5 6.7 18.9 123 139 A D T 3< S+ 0 0 96 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.753 97.9 60.0 -62.3 -24.0 7.5 6.5 16.6 124 140 A K T < S+ 0 0 54 -3,-1.3 -26,-2.3 -4,-0.3 2,-1.2 0.576 79.8 95.6 -78.4 -13.0 6.8 10.1 15.5 125 141 A I E < -d 98 0A 0 -3,-1.9 -26,-0.2 -4,-0.4 3,-0.1 -0.712 56.6-173.9 -83.8 99.2 7.2 11.3 19.1 126 142 A A E - 0 0 5 -28,-2.4 2,-0.3 -2,-1.2 -1,-0.2 0.794 63.7 -4.6 -66.4 -31.7 10.9 12.4 18.9 127 143 A G E -d 99 0A 0 -29,-0.6 -27,-2.0 -3,-0.1 2,-0.4 -0.982 55.1-158.4-162.7 152.6 11.1 13.2 22.6 128 144 A T E -de 100 151A 0 22,-2.5 24,-2.3 -2,-0.3 2,-0.4 -0.999 8.4-158.0-136.6 132.6 9.0 13.4 25.8 129 145 A V E -de 101 152A 0 -29,-2.0 -27,-1.6 -2,-0.4 2,-0.4 -0.937 7.3-168.6-112.5 136.4 9.8 15.4 29.0 130 146 A L E -de 102 153A 0 22,-2.4 24,-3.4 -2,-0.4 2,-0.4 -0.987 1.6-165.6-126.4 127.9 8.2 14.5 32.4 131 147 A F E S-de 103 154A 0 -29,-2.6 -27,-2.6 -2,-0.4 -24,-0.2 -0.941 76.2 -1.3-112.5 136.8 8.4 16.7 35.5 132 148 A G S S- 0 0 0 22,-2.6 2,-0.6 -2,-0.4 -1,-0.2 0.953 86.0-155.6 52.7 51.4 7.6 15.4 38.9 133 149 A Y > - 0 0 0 21,-0.4 3,-2.0 -3,-0.3 4,-0.3 -0.488 12.2-160.1 -69.7 107.6 6.8 12.1 37.4 134 150 A T T 3 S+ 0 0 3 -2,-0.6 4,-0.2 -30,-0.6 -1,-0.2 0.635 92.3 46.2 -68.5 -14.9 4.4 10.3 39.8 135 151 A K T 3> S+ 0 0 43 -31,-0.2 4,-2.6 1,-0.1 6,-0.3 0.081 77.9 114.9-110.2 22.9 5.2 7.0 38.2 136 152 A N T <4>S+ 0 0 36 -3,-2.0 5,-2.6 25,-0.4 6,-0.3 0.939 82.5 36.6 -59.2 -50.6 9.0 7.5 38.3 137 153 A L T >45S+ 0 0 103 24,-0.3 3,-1.5 -4,-0.3 -1,-0.2 0.963 118.7 50.0 -66.8 -48.5 9.8 4.7 40.8 138 154 A Q T 345S+ 0 0 82 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.820 117.9 39.1 -59.5 -35.6 7.1 2.3 39.5 139 155 A N T ><5S- 0 0 41 -4,-2.6 3,-1.6 3,-0.1 -1,-0.3 0.236 109.8-118.7-103.0 11.4 8.2 2.7 35.9 140 156 A R T < 5S- 0 0 201 -3,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.858 72.2 -56.0 53.9 39.6 12.0 2.7 36.6 141 157 A G T 3 - 0 0 1 3,-0.5 3,-1.9 -2,-0.2 -31,-0.0 -0.980 44.6-114.1-104.5 119.0 7.7 5.3 29.8 144 160 A P T 3 S+ 0 0 40 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.273 99.3 13.4 -53.4 136.2 6.5 1.7 29.2 145 161 A N T 3 S+ 0 0 105 1,-0.2 0, 0.0 -29,-0.1 0, 0.0 0.553 111.9 95.2 77.1 12.2 6.6 0.8 25.5 146 162 A Y S < S- 0 0 4 -3,-1.9 -3,-0.5 -23,-0.0 -1,-0.2 -0.991 81.8 -96.4-139.4 139.1 8.8 3.9 24.6 147 163 A P > - 0 0 48 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.262 18.2-138.2 -63.6 138.0 12.6 4.3 24.3 148 164 A A G > S+ 0 0 52 1,-0.3 3,-1.8 2,-0.2 0, 0.0 0.864 102.7 62.5 -55.6 -38.8 14.7 5.5 27.2 149 165 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.635 103.8 48.4 -69.7 -10.0 16.7 7.7 24.9 150 166 A R G < S+ 0 0 65 -3,-1.5 -22,-2.5 -23,-0.1 2,-0.4 0.356 101.0 83.3-101.7 1.1 13.6 9.7 23.9 151 167 A T E < -e 128 0A 17 -3,-1.8 2,-0.4 -4,-0.2 -22,-0.2 -0.898 51.1-177.9-113.6 129.8 12.6 10.2 27.5 152 168 A K E -e 129 0A 84 -24,-2.3 -22,-2.4 -2,-0.4 2,-0.5 -0.959 9.5-164.7-129.3 118.7 13.9 12.9 29.9 153 169 A V E -e 130 0A 37 -2,-0.4 2,-0.7 -24,-0.2 -22,-0.2 -0.852 8.4-159.2-102.4 130.9 12.6 12.8 33.5 154 170 A F E +e 131 0A 16 -24,-3.4 -22,-2.6 -2,-0.5 2,-0.4 -0.944 27.3 156.8-108.6 105.1 13.0 15.8 35.8 155 171 A b - 0 0 42 -2,-0.7 3,-0.1 -24,-0.2 17,-0.1 -0.918 28.8-147.8-133.6 102.5 12.6 14.5 39.3 156 172 A K > - 0 0 83 -2,-0.4 3,-2.2 15,-0.2 6,-0.2 -0.347 29.3 -93.3 -73.8 150.9 14.3 16.6 42.0 157 173 A T T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.416 116.5 23.9 -55.6 131.9 15.8 15.2 45.1 158 174 A G T 3 S+ 0 0 42 1,-0.2 2,-1.3 -2,-0.1 14,-0.3 0.443 82.7 129.7 84.6 -0.4 13.1 15.4 47.8 159 175 A D X - 0 0 1 -3,-2.2 3,-1.8 12,-0.2 -1,-0.2 -0.763 43.4-165.2 -83.2 99.6 10.3 15.3 45.3 160 176 A L G > >S+ 0 0 62 -2,-1.3 5,-1.7 1,-0.3 3,-1.0 0.653 78.5 67.9 -65.9 -18.0 8.5 12.5 47.0 161 177 A V G > 5S+ 0 0 3 6,-0.3 3,-0.6 1,-0.2 -25,-0.4 0.722 96.1 58.2 -74.0 -16.6 6.2 11.7 44.1 162 178 A b G < 5S+ 0 0 6 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.495 102.9 54.0 -85.7 -7.7 9.2 10.5 42.2 163 179 A T G < 5S- 0 0 93 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.1 -0.075 130.3 -79.3-122.4 29.3 10.0 7.9 44.9 164 180 A G T < 5S+ 0 0 38 -3,-0.6 2,-0.2 1,-0.3 -3,-0.2 0.450 98.6 93.0 96.6 2.9 6.7 6.1 45.1 165 181 A S < - 0 0 37 -5,-1.7 -1,-0.3 2,-0.1 -2,-0.1 -0.587 66.9-134.3-112.6-179.0 4.4 8.3 47.1 166 182 A L + 0 0 83 -2,-0.2 2,-0.4 -3,-0.1 -5,-0.2 0.077 59.7 131.5-120.3 20.5 1.9 11.0 46.3 167 183 A I - 0 0 104 -7,-0.2 2,-0.6 1,-0.0 -6,-0.3 -0.633 51.2-141.6 -75.6 124.3 3.1 13.4 49.0 168 184 A V + 0 0 84 -2,-0.4 2,-0.2 -8,-0.1 -9,-0.1 -0.808 28.7 169.3 -90.9 117.6 3.7 16.9 47.6 169 185 A A > - 0 0 32 -2,-0.6 3,-1.7 -11,-0.1 4,-0.4 -0.719 50.5 -85.7-119.4 172.4 6.8 18.7 49.1 170 186 A A G > S+ 0 0 77 1,-0.3 3,-2.0 -2,-0.2 4,-0.1 0.817 121.3 60.0 -51.4 -44.0 8.6 21.9 48.1 171 187 A P G > S+ 0 0 36 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.794 96.1 64.3 -58.4 -25.4 10.9 20.3 45.4 172 188 A H G < S+ 0 0 4 -3,-1.7 3,-0.3 -14,-0.3 -2,-0.2 0.704 103.1 48.3 -66.2 -20.0 7.8 19.2 43.5 173 189 A L G < S+ 0 0 122 -3,-2.0 3,-0.3 -4,-0.4 -1,-0.3 0.251 94.7 79.5-102.2 8.8 7.0 22.9 43.0 174 190 A A < + 0 0 40 -3,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.078 53.3 105.9-110.4 23.1 10.4 23.8 41.8 175 191 A Y > + 0 0 3 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.454 47.9 100.6 -84.8 1.0 10.4 22.7 38.1 176 192 A G H > S+ 0 0 17 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.916 82.2 47.5 -51.5 -54.2 10.2 26.2 36.7 177 193 A P H > S+ 0 0 73 0, 0.0 4,-0.9 0, 0.0 3,-0.4 0.909 111.3 52.0 -57.4 -39.6 13.9 26.5 35.8 178 194 A D H >4>S+ 0 0 28 -4,-0.3 5,-2.4 1,-0.2 3,-0.6 0.900 108.5 51.4 -59.8 -41.7 13.9 23.0 34.2 179 195 A A H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -137,-0.2 0.739 113.4 44.6 -69.2 -23.1 10.9 24.1 32.1 180 196 A R H 3<5S+ 0 0 135 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.555 129.3 15.7 -93.1 -11.9 12.7 27.2 30.9 181 197 A G T 5S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.766 116.1 60.5 -65.8 -27.8 17.0 21.8 29.8 183 199 A A H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.924 115.2 58.8 -59.2 -38.0 12.7 22.4 26.0 185 201 A E H X S+ 0 0 84 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.898 104.0 50.4 -57.1 -42.3 16.3 22.0 25.0 186 202 A F H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.937 112.5 46.8 -58.0 -48.3 16.0 18.2 25.1 187 203 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.916 111.9 50.8 -60.9 -43.9 12.9 18.4 22.9 188 204 A I H X S+ 0 0 4 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.927 110.4 49.6 -61.4 -45.3 14.5 20.8 20.5 189 205 A E H X S+ 0 0 105 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.913 110.3 49.7 -59.5 -45.2 17.5 18.5 20.1 190 206 A K H X S+ 0 0 59 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.910 113.1 46.6 -64.1 -40.7 15.4 15.5 19.5 191 207 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 3,-0.4 0.945 111.6 50.5 -63.9 -48.2 13.4 17.3 16.8 192 208 A R H X S+ 0 0 120 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.861 107.9 54.2 -61.3 -35.1 16.5 18.7 15.1 193 209 A A H < S+ 0 0 87 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.851 114.5 40.1 -66.9 -33.6 18.1 15.2 15.0 194 210 A V H < S+ 0 0 102 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.900 122.4 38.4 -81.4 -43.1 15.1 13.7 13.2 195 211 A R H < 0 0 101 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.618 360.0 360.0 -85.3 -14.6 14.3 16.6 10.8 196 212 A G < 0 0 94 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.386 360.0 360.0 70.2 360.0 17.9 17.5 10.1