==== 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 1CUV . 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) . 8528.0 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 . 26 13.2 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 . 29 14.7 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 1 1 0 0 0 0 0 0 1 0 1 0 1 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 0 222 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.3 23.9 5.0 26.9 2 18 A T + 0 0 33 30,-0.1 30,-2.9 34,-0.1 29,-1.6 0.403 360.0 63.8 -85.0 -0.1 25.8 6.2 30.0 3 19 A T + 0 0 69 27,-0.3 2,-0.4 28,-0.2 27,-0.1 -0.991 57.9 168.9-122.7 134.8 27.2 9.4 28.4 4 20 A R + 0 0 44 -2,-0.4 52,-1.9 49,-0.0 3,-0.1 -0.974 12.9 171.9-146.1 126.2 24.9 12.2 27.3 5 21 A D B > +A 55 0A 52 -2,-0.4 4,-2.6 50,-0.2 5,-0.2 -0.301 27.0 140.9-128.4 47.5 26.0 15.6 26.2 6 22 A D T 4 S+ 0 0 36 48,-2.0 49,-0.2 1,-0.2 -1,-0.1 0.866 75.6 46.2 -59.3 -35.7 22.8 17.0 24.9 7 23 A L T >4 S+ 0 0 0 47,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.965 114.6 42.7 -72.2 -56.1 23.5 20.4 26.4 8 24 A I T 34 S+ 0 0 76 1,-0.3 -2,-0.2 3,-0.0 -1,-0.1 0.968 122.8 40.6 -54.3 -52.9 27.1 20.8 25.3 9 25 A N T 3< S+ 0 0 132 -4,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.473 97.4 122.3 -73.5 -3.8 26.2 19.5 21.8 10 26 A G < - 0 0 11 -3,-1.0 2,-0.6 -5,-0.2 5,-0.1 -0.379 58.1-138.3 -69.7 140.3 23.0 21.5 22.0 11 27 A N > - 0 0 88 3,-0.3 3,-1.4 -2,-0.1 -1,-0.1 -0.842 4.5-146.8-101.5 122.5 22.1 24.0 19.4 12 28 A S G > S+ 0 0 71 -2,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.711 101.1 61.2 -56.5 -26.1 20.6 27.3 20.7 13 29 A A G 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.0 2,-0.1 0.835 112.3 38.2 -69.1 -33.1 18.5 27.4 17.5 14 30 A S G < S+ 0 0 67 -3,-1.4 -3,-0.3 2,-0.0 -1,-0.2 -0.387 84.8 174.2-116.5 55.5 16.9 24.1 18.5 15 31 A a < - 0 0 49 -3,-0.7 2,-0.2 77,-0.1 -3,-0.1 -0.181 26.0-128.5 -62.6 153.2 16.5 24.4 22.3 16 32 A A - 0 0 5 1,-0.1 36,-0.2 81,-0.0 35,-0.2 -0.462 13.7-125.9 -94.5 169.4 14.7 21.8 24.2 17 33 A D S S+ 0 0 84 34,-2.4 80,-2.9 1,-0.2 2,-0.4 0.844 95.5 33.3 -83.5 -33.2 11.9 22.6 26.6 18 34 A V E -bc 52 97A 0 33,-2.3 35,-2.7 78,-0.2 2,-0.5 -0.962 65.5-163.3-127.3 137.3 13.5 20.8 29.6 19 35 A I E -bc 53 98A 0 78,-2.5 80,-1.8 -2,-0.4 2,-0.5 -0.989 8.0-161.3-124.2 118.8 17.2 20.4 30.4 20 36 A F E -bc 54 99A 0 33,-3.1 35,-3.2 -2,-0.5 2,-0.6 -0.904 2.8-167.8-103.0 122.1 18.2 17.7 32.9 21 37 A I E -bc 55 100A 0 78,-2.1 80,-1.6 -2,-0.5 2,-0.4 -0.944 13.4-177.5-114.2 118.2 21.6 18.0 34.5 22 38 A Y E -bc 56 101A 0 33,-2.3 35,-2.1 -2,-0.6 2,-0.5 -0.967 16.4-155.9-123.5 138.4 22.7 14.8 36.3 23 39 A A E - c 0 102A 0 78,-2.2 80,-1.9 -2,-0.4 87,-0.1 -0.918 17.6-141.1-117.6 122.6 25.8 13.9 38.4 24 40 A R - 0 0 23 -2,-0.5 82,-0.3 7,-0.5 2,-0.1 -0.031 21.8 -99.9 -71.5 173.4 27.0 10.3 38.9 25 41 A G > - 0 0 1 80,-0.2 3,-1.7 1,-0.2 79,-0.2 -0.455 57.9 -63.8 -90.3 171.5 28.4 8.5 42.0 26 42 A S T 3 S+ 0 0 22 1,-0.2 38,-0.2 -2,-0.1 -1,-0.2 -0.247 120.9 8.0 -56.4 135.8 32.1 7.8 42.7 27 43 A T T 3 S+ 0 0 108 36,-3.0 -1,-0.2 35,-0.3 37,-0.1 0.257 91.5 143.3 80.0 -13.1 33.6 5.4 40.2 28 44 A E < - 0 0 28 -3,-1.7 -1,-0.2 35,-0.1 -4,-0.1 -0.306 48.5-116.1 -68.3 146.9 30.6 5.4 37.8 29 45 A T S > S+ 0 0 99 3,-0.1 4,-1.5 2,-0.1 3,-0.3 -0.312 73.0 3.4 -79.3 162.3 31.1 5.2 34.0 30 46 A G T 4 S- 0 0 31 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.226 103.7 -70.7 63.1-155.0 30.2 7.8 31.5 31 47 A N T 4 S+ 0 0 6 -29,-1.6 26,-0.8 2,-0.1 -7,-0.5 0.443 133.2 42.8-112.1 -0.0 28.7 11.0 32.8 32 48 A L T > S- 0 0 0 -30,-2.9 4,-1.6 -3,-0.3 3,-0.4 0.645 82.1-174.3-114.8 -27.9 25.4 9.3 33.8 33 49 A G T < - 0 0 2 -4,-1.5 -1,-0.1 -31,-0.8 -2,-0.1 -0.244 56.5 -32.3 65.1-149.6 26.5 6.1 35.4 34 50 A T T 4 S+ 0 0 95 1,-0.1 4,-0.4 2,-0.1 -1,-0.2 0.799 137.4 37.3 -78.6 -35.8 23.8 3.5 36.5 35 51 A L T > S+ 0 0 9 -3,-0.4 4,-1.8 2,-0.1 3,-0.2 0.794 102.1 70.8 -88.8 -30.7 20.8 5.7 37.5 36 52 A G H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 5,-0.2 0.891 93.3 53.7 -52.8 -51.5 21.0 8.4 34.9 37 53 A P H > S+ 0 0 20 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.883 109.0 51.5 -54.1 -39.7 20.0 6.3 31.8 38 54 A S H > S+ 0 0 32 -4,-0.4 4,-1.4 -3,-0.2 -2,-0.2 0.917 111.5 45.0 -63.8 -47.8 16.8 5.2 33.6 39 55 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.3 0.935 113.1 53.0 -63.3 -43.4 15.8 8.7 34.5 40 56 A A H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.881 103.5 55.6 -58.6 -46.6 16.6 9.8 31.0 41 57 A S H X S+ 0 0 70 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.885 109.5 46.5 -57.8 -37.8 14.4 7.2 29.3 42 58 A N H X S+ 0 0 61 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.863 110.4 50.5 -74.2 -38.1 11.3 8.3 31.3 43 59 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.871 109.3 52.6 -64.5 -39.3 11.8 12.0 30.7 44 60 A E H X S+ 0 0 29 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.823 106.4 55.3 -64.3 -33.1 12.2 11.3 26.9 45 61 A S H < S+ 0 0 103 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.885 115.4 36.8 -66.7 -42.5 8.9 9.3 27.1 46 62 A A H < S+ 0 0 48 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.726 132.5 26.0 -83.9 -24.3 7.1 12.3 28.5 47 63 A F H X S- 0 0 49 -4,-2.3 4,-0.5 -5,-0.1 -3,-0.2 0.454 102.9-121.2-118.5 -0.9 8.8 15.1 26.5 48 64 A G H >X - 0 0 35 -4,-2.1 3,-1.3 -5,-0.2 4,-1.3 0.255 37.6 -79.0 73.0 149.4 10.0 13.4 23.4 49 65 A K H 34 S+ 0 0 131 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.877 135.3 46.9 -50.5 -38.9 13.6 13.2 22.3 50 66 A D H 34 S+ 0 0 152 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.2 0.665 105.0 61.2 -81.8 -12.4 13.4 16.8 21.0 51 67 A G H << S+ 0 0 8 -3,-1.3 -34,-2.4 -4,-0.5 -33,-2.3 0.807 105.5 40.2 -85.2 -27.3 11.6 18.1 24.1 52 68 A V E < - b 0 18A 0 -4,-1.3 2,-0.5 -3,-0.2 -33,-0.2 -0.952 62.3-150.0-129.2 140.6 14.3 17.3 26.7 53 69 A W E - b 0 19A 27 -35,-2.7 -33,-3.1 -2,-0.4 2,-0.6 -0.939 14.7-154.1-105.7 123.3 18.1 17.6 26.7 54 70 A I E + b 0 20A 0 -2,-0.5 -48,-2.0 -35,-0.2 2,-0.4 -0.907 18.1 176.7 -98.4 121.1 19.9 15.1 29.0 55 71 A Q E -Ab 5 21A 0 -35,-3.2 -33,-2.3 -2,-0.6 -50,-0.2 -0.957 13.1-160.9-131.0 119.3 23.3 16.2 30.2 56 72 A G E - b 0 22A 0 -52,-1.9 2,-0.9 -2,-0.4 -33,-0.2 -0.494 31.2-108.5 -89.4 161.6 25.5 14.4 32.6 57 73 A V + 0 0 0 -35,-2.1 -33,-0.4 -26,-0.8 2,-0.1 -0.826 60.2 140.6 -93.7 104.1 28.3 16.2 34.6 58 74 A G > + 0 0 15 -2,-0.9 3,-2.4 23,-0.1 5,-0.1 0.037 32.5 68.1-111.1-132.4 31.6 15.0 33.0 59 75 A G T 3 S+ 0 0 69 1,-0.3 19,-0.1 -2,-0.1 -2,-0.0 -0.269 117.5 8.9 55.9-122.3 34.7 17.0 32.3 60 76 A A T 3 S+ 0 0 45 17,-0.2 2,-1.2 1,-0.1 -1,-0.3 0.595 110.1 93.7 -66.2 -15.4 36.4 18.1 35.5 61 77 A Y < + 0 0 2 -3,-2.4 -1,-0.1 17,-0.2 17,-0.0 -0.708 46.1 167.0 -83.2 100.1 34.0 15.9 37.6 62 78 A R - 0 0 186 -2,-1.2 -35,-0.3 -4,-0.0 -1,-0.2 0.511 41.0-131.8 -91.9 -6.2 36.1 12.7 37.9 63 79 A A - 0 0 2 1,-0.1 -36,-3.0 -37,-0.1 2,-0.1 0.923 38.9-171.4 53.6 51.1 33.9 11.1 40.6 64 80 A T - 0 0 39 -38,-0.2 4,-0.4 1,-0.1 -1,-0.1 -0.378 32.5-133.7 -77.6 144.9 36.9 10.2 42.6 65 81 A L S > S+ 0 0 114 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.956 106.4 51.6 -61.2 -50.9 36.9 8.0 45.7 66 82 A G G > S+ 0 0 44 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.794 95.5 69.3 -60.0 -28.5 39.1 10.5 47.7 67 83 A D G > S+ 0 0 36 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.671 83.0 71.8 -69.1 -14.3 36.8 13.5 47.0 68 84 A N G < S+ 0 0 19 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.766 94.3 57.7 -67.8 -24.9 34.1 12.1 49.1 69 85 A F G < S+ 0 0 141 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.401 83.4 102.8 -88.8 1.8 36.4 13.0 52.0 70 86 A L S X S- 0 0 69 -3,-1.4 3,-2.3 -4,-0.1 5,-0.1 -0.504 92.1 -95.8 -79.5 157.7 36.6 16.7 51.1 71 87 A P T 3 S+ 0 0 119 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.784 123.1 36.1 -41.3 -46.0 34.6 19.2 53.2 72 88 A R T 3 S- 0 0 82 2,-0.5 40,-0.2 -5,-0.1 3,-0.1 0.318 117.4-104.6 -97.3 10.2 31.6 19.4 50.9 73 89 A G S < S+ 0 0 0 -3,-2.3 2,-0.3 1,-0.2 36,-0.2 0.397 97.6 44.1 85.8 -5.7 31.7 15.7 49.8 74 90 A T S S- 0 0 4 34,-0.2 -2,-0.5 -6,-0.1 -1,-0.2 -0.907 91.6 -80.1-154.3-180.0 33.2 16.6 46.4 75 91 A S > - 0 0 17 -2,-0.3 4,-1.9 -3,-0.1 5,-0.2 -0.486 28.8-120.4 -91.6 162.9 35.9 18.7 44.8 76 92 A S H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 114.6 54.1 -67.4 -35.0 36.0 22.4 43.9 77 93 A A H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 106.8 51.1 -66.9 -39.6 36.6 21.5 40.3 78 94 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 110.7 48.1 -63.6 -45.0 33.5 19.3 40.2 79 95 A I H X S+ 0 0 8 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.888 110.5 53.0 -61.4 -40.3 31.3 22.0 41.6 80 96 A R H X S+ 0 0 196 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.907 107.9 50.6 -61.8 -45.2 32.8 24.4 39.1 81 97 A E H X S+ 0 0 48 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.964 113.4 43.5 -59.0 -54.7 31.9 22.0 36.2 82 98 A M H >X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 3,-0.5 0.914 113.2 51.9 -59.2 -45.7 28.3 21.6 37.3 83 99 A L H 3X S+ 0 0 30 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.941 107.1 55.9 -54.0 -44.2 27.9 25.3 38.0 84 100 A G H 3X S+ 0 0 21 -4,-2.7 4,-1.9 1,-0.2 -1,-0.3 0.817 105.8 50.0 -58.1 -34.9 29.3 25.8 34.5 85 101 A L H < + 0 0 3 -4,-2.8 3,-2.3 -5,-0.3 -1,-0.2 -0.558 61.5 170.2-130.8 76.0 18.0 28.2 26.4 94 110 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.700 84.2 49.2 -54.7 -25.1 16.7 31.0 28.7 95 111 A D T 3 S+ 0 0 140 -79,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.474 86.3 105.7 -96.4 -5.0 13.1 29.6 28.4 96 112 A A S < S- 0 0 6 -3,-2.3 2,-0.3 -7,-0.2 -78,-0.2 -0.518 71.5-124.6 -77.5 143.4 14.0 25.9 29.1 97 113 A T E -c 18 0A 14 -80,-2.9 -78,-2.5 -2,-0.2 2,-0.3 -0.704 26.2-140.7 -85.7 141.1 12.9 24.6 32.5 98 114 A L E +cd 19 125A 1 26,-2.2 28,-2.5 -2,-0.3 29,-0.6 -0.795 23.1 173.8-107.0 143.7 15.8 23.1 34.5 99 115 A I E -cd 20 127A 0 -80,-1.8 -78,-2.1 -2,-0.3 2,-0.3 -0.962 11.3-165.9-139.4 154.2 15.7 20.0 36.6 100 116 A A E +cd 21 128A 0 27,-2.1 29,-1.9 -2,-0.3 2,-0.3 -0.890 9.8 177.2-139.7 171.0 18.7 18.2 38.3 101 117 A G E -cd 22 129A 0 -80,-1.6 -78,-2.2 -2,-0.3 2,-0.3 -0.985 3.2-175.7-168.3 160.6 19.8 15.1 40.1 102 118 A G E -cd 23 130A 0 27,-1.6 29,-2.7 -2,-0.3 2,-0.4 -0.988 13.4-146.4-161.9 155.6 22.7 13.3 41.7 103 119 A Y E > - d 0 131A 16 -80,-1.9 3,-2.3 -2,-0.3 2,-0.3 -0.992 65.1 -40.7-129.7 128.8 23.7 9.9 43.2 104 120 A S T 3> S+ 0 0 14 27,-2.7 4,-1.8 -2,-0.4 30,-0.6 -0.405 139.9 7.8 59.8-118.4 26.1 9.4 46.1 105 121 A Q H 3> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 -1,-0.3 0.871 133.3 57.8 -62.5 -33.4 29.0 11.8 45.5 106 122 A G H <> S+ 0 0 0 -3,-2.3 4,-3.6 -82,-0.3 -1,-0.2 0.856 102.2 55.4 -62.8 -31.9 26.9 13.3 42.6 107 123 A A H > S+ 0 0 0 -3,-0.5 4,-2.5 24,-0.3 -2,-0.2 0.958 108.7 44.9 -64.7 -50.4 24.2 14.0 45.2 108 124 A A H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.924 115.4 51.5 -59.3 -37.9 26.6 16.0 47.4 109 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.941 108.1 48.4 -63.1 -49.1 27.8 17.6 44.1 110 126 A A H X S+ 0 0 0 -4,-3.6 4,-2.3 1,-0.2 5,-0.2 0.903 113.7 49.9 -57.7 -38.9 24.3 18.6 43.0 111 127 A A H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.853 111.3 45.6 -69.3 -40.0 23.7 20.0 46.4 112 128 A A H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.942 114.5 49.3 -69.5 -45.2 26.9 22.1 46.5 113 129 A S H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.917 112.8 45.4 -59.5 -49.0 26.3 23.4 43.0 114 130 A I H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.899 112.1 53.8 -62.6 -38.7 22.7 24.4 43.6 115 131 A E H < S+ 0 0 61 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.902 114.3 39.9 -61.1 -44.2 23.8 26.0 46.9 116 132 A D H < S+ 0 0 76 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.601 93.7 118.1 -79.6 -15.3 26.5 28.1 45.1 117 133 A L S < S- 0 0 2 -4,-1.3 -3,-0.0 -5,-0.2 -34,-0.0 -0.284 77.0-102.5 -58.8 134.9 24.2 28.8 42.1 118 134 A D >> - 0 0 110 1,-0.1 4,-2.4 -2,-0.1 3,-0.8 -0.274 36.3-115.7 -55.1 135.1 23.1 32.4 41.3 119 135 A S H 3> S+ 0 0 71 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.862 109.9 56.1 -39.6 -54.0 19.5 32.9 42.6 120 136 A A H 34 S+ 0 0 58 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.832 111.5 39.7 -52.3 -47.6 18.1 33.5 39.1 121 137 A I H X4 S+ 0 0 13 -3,-0.8 3,-2.1 2,-0.2 4,-0.4 0.946 113.8 56.0 -71.3 -41.5 19.3 30.3 37.5 122 138 A R H >< S+ 0 0 33 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.886 100.3 58.9 -55.3 -41.8 18.4 28.4 40.8 123 139 A D T 3< S+ 0 0 108 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.738 99.2 59.9 -59.1 -23.3 14.9 29.7 40.5 124 140 A K T < S+ 0 0 60 -3,-2.1 -26,-2.2 -4,-0.5 2,-1.2 0.534 78.2 99.6 -82.3 -9.9 14.7 28.0 37.2 125 141 A I E < -d 98 0A 0 -3,-2.3 -26,-0.2 -4,-0.4 3,-0.1 -0.693 54.1-172.3 -81.5 96.9 15.4 24.6 38.7 126 142 A A E - 0 0 3 -28,-2.5 2,-0.3 -2,-1.2 -27,-0.2 0.799 63.9 -14.6 -59.1 -33.9 11.9 23.1 39.0 127 143 A G E -d 99 0A 0 -29,-0.6 -27,-2.1 -3,-0.1 2,-0.4 -0.959 53.6-153.0-170.3 153.1 13.0 20.1 41.0 128 144 A T E -de 100 151A 0 22,-2.6 24,-2.0 -2,-0.3 2,-0.4 -0.997 6.7-157.6-136.3 133.6 16.0 18.0 42.1 129 145 A V E -de 101 152A 0 -29,-1.9 -27,-1.6 -2,-0.4 2,-0.4 -0.955 9.3-168.6-110.5 135.6 16.2 14.3 43.0 130 146 A L E -de 102 153A 0 22,-2.5 24,-3.6 -2,-0.4 2,-0.4 -0.985 2.1-164.3-126.7 121.6 19.1 13.0 45.2 131 147 A F E S-de 103 154A 0 -29,-2.7 -27,-2.7 -2,-0.4 -24,-0.3 -0.887 76.0 -3.1-104.8 138.9 19.8 9.3 45.8 132 148 A G S S- 0 0 0 22,-2.6 2,-0.8 -2,-0.4 -1,-0.2 0.928 84.3-156.4 48.0 50.3 22.1 8.1 48.6 133 149 A Y > - 0 0 0 21,-0.4 3,-2.1 -3,-0.3 4,-0.3 -0.497 9.3-159.3 -63.0 104.8 22.7 11.8 49.6 134 150 A T T 3 S+ 0 0 4 -2,-0.8 4,-0.2 -30,-0.6 30,-0.2 0.641 91.3 46.5 -63.7 -19.7 26.0 11.7 51.5 135 151 A K T 3> S+ 0 0 35 1,-0.1 4,-3.0 2,-0.1 -1,-0.3 0.162 77.0 115.9-108.2 21.4 25.3 15.0 53.2 136 152 A N T <4>S+ 0 0 34 -3,-2.1 5,-2.8 25,-0.4 6,-0.3 0.921 81.5 38.7 -57.0 -47.6 21.7 14.1 54.2 137 153 A L T >45S+ 0 0 86 24,-0.4 3,-1.7 -4,-0.3 -1,-0.2 0.977 118.1 49.4 -66.7 -52.1 22.4 14.3 57.9 138 154 A Q T 345S+ 0 0 80 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.848 119.2 36.4 -55.8 -41.8 24.6 17.3 57.7 139 155 A N T ><5S- 0 0 47 -4,-3.0 3,-1.5 3,-0.1 -1,-0.3 0.218 111.0-118.9 -96.8 9.2 22.2 19.3 55.6 140 156 A R T < 5 - 0 0 182 -3,-1.7 -3,-0.2 1,-0.3 -4,-0.1 0.848 69.3 -56.0 57.0 38.9 19.1 18.0 57.4 141 157 A G T 3 - 0 0 1 3,-0.5 3,-2.1 -2,-0.2 -31,-0.1 -0.985 45.1-110.9-114.3 120.9 19.8 21.4 49.7 144 160 A P T 3 S+ 0 0 32 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.302 99.6 8.9 -55.1 137.4 21.0 24.8 51.2 145 161 A N T 3 S+ 0 0 107 1,-0.2 -23,-0.0 -29,-0.1 -30,-0.0 0.383 109.3 102.4 73.8 -2.6 19.4 27.8 49.5 146 162 A Y S < S- 0 0 3 -3,-2.1 -3,-0.5 -35,-0.0 -1,-0.2 -0.920 79.1-105.8-115.6 134.9 16.9 25.5 47.6 147 163 A P > - 0 0 45 0, 0.0 3,-0.7 0, 0.0 4,-0.1 -0.253 17.3-132.8 -59.5 147.2 13.3 25.1 48.6 148 164 A A G > S+ 0 0 47 1,-0.2 3,-1.4 2,-0.2 -2,-0.0 0.816 101.7 63.7 -69.5 -35.2 12.1 21.8 50.2 149 165 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.666 106.5 45.5 -64.8 -17.3 9.0 21.4 48.0 150 166 A R G < S+ 0 0 52 -3,-0.7 -22,-2.6 -23,-0.1 2,-0.4 0.396 100.3 85.0-103.5 -3.2 11.3 21.1 45.0 151 167 A T E < -e 128 0A 18 -3,-1.4 2,-0.4 -24,-0.2 -22,-0.2 -0.859 50.9-178.6-104.8 135.1 13.7 18.7 46.7 152 168 A K E -e 129 0A 74 -24,-2.0 -22,-2.5 -2,-0.4 2,-0.5 -0.936 7.5-164.7-136.3 115.2 13.2 14.9 46.8 153 169 A V E -e 130 0A 37 -2,-0.4 2,-0.7 -24,-0.2 -22,-0.2 -0.830 9.4-159.2-104.6 130.9 15.7 12.7 48.6 154 170 A F E +e 131 0A 20 -24,-3.6 -22,-2.6 -2,-0.5 2,-0.4 -0.937 25.8 160.5-107.0 101.4 15.9 9.0 48.2 155 171 A b - 0 0 40 -2,-0.7 3,-0.1 -24,-0.2 17,-0.1 -0.884 29.7-142.5-127.7 98.5 17.7 7.6 51.3 156 172 A N > - 0 0 48 -2,-0.4 3,-2.3 15,-0.3 2,-0.2 -0.192 27.6 -98.0 -61.0 150.1 17.2 4.0 51.9 157 173 A T T 3 S+ 0 0 142 1,-0.3 -1,-0.1 14,-0.0 3,-0.1 -0.489 116.2 24.5 -67.2 129.2 16.8 2.6 55.4 158 174 A G T 3 S+ 0 0 43 1,-0.2 2,-1.5 -2,-0.2 -1,-0.3 0.355 83.2 133.3 95.9 -9.6 20.2 1.2 56.3 159 175 A D X - 0 0 2 -3,-2.3 3,-2.2 12,-0.2 4,-0.4 -0.626 42.1-162.7 -78.7 97.1 22.0 3.5 53.8 160 176 A L G > >S+ 0 0 68 -2,-1.5 5,-2.0 1,-0.3 3,-0.7 0.647 81.7 64.8 -54.4 -24.7 24.8 4.7 56.1 161 177 A V G > 5S+ 0 0 4 1,-0.2 3,-0.8 3,-0.2 -24,-0.4 0.751 96.3 59.9 -74.4 -18.3 25.8 7.7 54.0 162 178 A b G < 5S+ 0 0 7 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.674 107.1 46.7 -80.6 -15.1 22.4 9.2 54.8 163 179 A T G < 5S- 0 0 90 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 -0.013 132.2 -77.6-117.7 29.9 23.1 9.1 58.5 164 180 A G T < 5S+ 0 0 35 -3,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.665 92.8 112.6 90.3 15.9 26.6 10.6 58.6 165 181 A S < - 0 0 52 -5,-2.0 -1,-0.3 2,-0.1 -2,-0.1 -0.849 55.8-147.4-119.3 161.3 29.0 7.8 57.5 166 182 A L + 0 0 67 -2,-0.3 2,-0.3 2,-0.1 -5,-0.1 -0.506 66.7 106.4-120.6 51.8 31.1 7.3 54.4 167 183 A I - 0 0 108 -2,-0.0 2,-0.5 2,-0.0 -6,-0.2 -0.963 63.8-131.8-130.7 146.6 30.7 3.6 54.2 168 184 A V + 0 0 86 -2,-0.3 2,-0.3 -8,-0.1 -9,-0.1 -0.902 24.1 174.9-108.5 128.4 28.6 1.7 51.8 169 185 A A > - 0 0 32 -2,-0.5 3,-2.4 -11,-0.1 4,-0.4 -0.774 53.1 -84.9-118.6 168.3 26.2 -1.1 52.8 170 186 A A G > S+ 0 0 80 1,-0.3 3,-1.8 -2,-0.3 -11,-0.1 0.797 122.5 64.7 -43.7 -44.0 23.8 -3.0 50.4 171 187 A P G > S+ 0 0 36 0, 0.0 3,-1.1 0, 0.0 -15,-0.3 0.720 91.2 66.1 -55.8 -21.6 21.0 -0.3 50.7 172 188 A H G < S+ 0 0 4 -3,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.744 102.6 45.9 -73.5 -22.7 23.3 2.2 49.0 173 189 A L G < S+ 0 0 117 -3,-1.8 3,-0.3 -4,-0.4 -1,-0.2 0.137 93.1 85.6-105.9 23.9 23.2 0.2 45.7 174 190 A A < + 0 0 48 -3,-1.1 -1,-0.2 1,-0.2 4,-0.2 -0.261 50.8 102.4-120.9 44.6 19.4 -0.3 45.8 175 191 A Y > + 0 0 1 -3,-0.2 4,-2.3 1,-0.1 3,-0.3 0.391 46.5 104.6-104.3 -0.7 18.1 2.8 44.1 176 192 A G H > S+ 0 0 21 -3,-0.3 4,-1.6 1,-0.2 5,-0.2 0.912 82.4 46.1 -46.7 -55.5 17.5 1.2 40.7 177 193 A P H > S+ 0 0 72 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.858 110.8 53.8 -60.0 -33.0 13.7 1.1 41.2 178 194 A D H 4>S+ 0 0 30 -3,-0.3 5,-2.7 1,-0.2 3,-0.2 0.913 109.2 47.8 -66.4 -42.2 13.6 4.7 42.5 179 195 A A H <5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.1 0.770 114.4 47.4 -67.9 -31.2 15.4 5.9 39.4 180 196 A R H <5S+ 0 0 146 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.654 132.1 3.9 -83.6 -20.2 13.0 3.9 37.1 181 197 A G T X5S+ 0 0 25 -4,-1.3 4,-2.0 -3,-0.2 5,-0.2 0.475 124.8 32.3-125.0 -88.6 9.8 5.1 38.8 182 198 A P H >5S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 -3,-0.2 0.764 114.8 55.6 -47.8 -41.5 9.3 7.7 41.7 183 199 A A H > S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.902 114.5 58.8 -62.9 -30.2 11.4 10.8 37.1 185 201 A E H X S+ 0 0 131 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.923 107.3 46.2 -61.4 -45.6 7.7 10.9 38.2 186 202 A F H X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.901 114.2 48.1 -62.6 -42.9 8.6 13.7 40.7 187 203 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 111.9 48.1 -66.1 -43.2 10.6 15.5 38.1 188 204 A I H X S+ 0 0 18 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.937 110.7 53.9 -63.8 -39.5 7.9 15.3 35.4 189 205 A E H X S+ 0 0 112 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.919 110.9 43.6 -60.0 -48.7 5.3 16.5 38.0 190 206 A K H X S+ 0 0 49 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.890 112.9 51.5 -66.8 -40.8 7.3 19.6 38.9 191 207 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.985 111.6 47.5 -60.7 -53.0 8.1 20.5 35.3 192 208 A R H X S+ 0 0 130 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.905 110.8 53.2 -52.6 -46.3 4.5 20.2 34.3 193 209 A A H < S+ 0 0 73 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.913 112.9 42.1 -59.1 -42.4 3.5 22.3 37.3 194 210 A V H < S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.899 120.1 40.6 -75.7 -39.8 5.9 25.2 36.4 195 211 A R H < S- 0 0 105 -4,-2.9 2,-0.8 -5,-0.2 -1,-0.2 0.601 106.5-127.4 -81.7 -5.8 5.2 25.2 32.7 196 212 A G < 0 0 61 -4,-1.1 -1,-0.1 -5,-0.4 -4,-0.1 -0.338 360.0 360.0 89.5 -46.0 1.6 24.7 33.5 197 213 A S 0 0 119 -2,-0.8 -1,-0.2 -6,-0.1 -4,-0.1 0.274 360.0 360.0 109.6 360.0 1.9 21.7 31.1