==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-JUL-09 3IAE . COMPND 2 MOLECULE: BENZALDEHYDE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR G.S.BRANDT,G.A.PETSKO,D.RINGE,M.J.MCLEISH . 1108 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 812 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 158 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.1 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 . 110 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.1 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 6 4 2 4 0 4 6 2 3 7 0 3 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 10 2 12 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 6 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 2 A A 0 0 88 0, 0.0 170,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -37.3 31.8 -87.9 -13.6 2 3 A M E -A 170 0A 120 168,-0.2 2,-0.3 169,-0.1 168,-0.2 -0.865 360.0-178.0 -97.2 125.3 32.7 -84.8 -15.6 3 4 A I E -A 169 0A 16 166,-2.6 166,-2.4 -2,-0.5 2,-0.0 -0.890 24.1-110.0-124.6 154.6 29.7 -82.5 -16.3 4 5 A T E > -A 168 0A 30 -2,-0.3 4,-1.3 164,-0.2 164,-0.2 -0.238 26.8-114.9 -75.2 166.1 29.3 -79.2 -18.2 5 6 A G H > S+ 0 0 0 160,-1.6 4,-1.5 162,-0.8 161,-0.2 0.798 118.4 57.8 -69.0 -31.9 28.7 -75.8 -16.7 6 7 A G H > S+ 0 0 0 159,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.816 102.4 54.8 -65.9 -32.6 25.2 -75.8 -18.3 7 8 A E H > S+ 0 0 18 158,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.888 104.9 53.4 -65.3 -41.4 24.5 -79.0 -16.4 8 9 A L H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.856 106.9 52.8 -60.6 -38.3 25.4 -77.2 -13.2 9 10 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 3,-0.2 0.966 112.2 43.4 -59.5 -54.3 22.9 -74.4 -14.0 10 11 A V H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.896 111.7 52.5 -63.7 -44.2 20.0 -76.8 -14.6 11 12 A R H X S+ 0 0 76 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.836 112.4 47.3 -59.7 -34.4 20.8 -79.0 -11.5 12 13 A T H X S+ 0 0 0 -4,-1.5 4,-1.4 -3,-0.2 -2,-0.2 0.888 110.6 50.5 -73.7 -42.0 20.8 -75.7 -9.4 13 14 A L H X>S+ 0 0 3 -4,-2.4 5,-2.3 2,-0.2 4,-0.6 0.888 109.3 52.6 -61.6 -40.4 17.5 -74.5 -11.0 14 15 A I H ><5S+ 0 0 70 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.925 108.4 49.0 -60.4 -46.5 15.9 -77.9 -10.2 15 16 A K H 3<5S+ 0 0 100 -4,-1.6 164,-0.6 1,-0.3 -1,-0.2 0.764 108.0 55.8 -64.9 -26.5 17.0 -77.7 -6.5 16 17 A A H 3<5S- 0 0 21 -4,-1.4 -1,-0.3 162,-0.1 -2,-0.2 0.593 120.9-113.0 -79.0 -14.8 15.5 -74.1 -6.5 17 18 A G T <<5 + 0 0 49 -3,-1.2 2,-0.3 -4,-0.6 -3,-0.2 0.572 59.9 155.1 94.8 12.3 12.2 -75.7 -7.7 18 19 A V < + 0 0 18 -5,-2.3 -1,-0.3 1,-0.1 3,-0.1 -0.567 14.9 174.4 -75.7 132.6 11.9 -74.3 -11.2 19 20 A E + 0 0 113 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.526 62.3 40.6-114.8 -14.6 9.8 -76.5 -13.5 20 21 A H - 0 0 33 21,-0.1 2,-0.3 23,-0.0 48,-0.3 -0.994 56.9-168.6-138.6 144.4 9.7 -74.3 -16.6 21 22 A L E -b 43 0B 1 21,-2.1 23,-2.8 -2,-0.3 2,-0.4 -0.940 11.2-148.8-125.4 154.3 12.1 -72.1 -18.6 22 23 A F E +bc 44 69B 0 46,-2.5 48,-2.6 -2,-0.3 2,-0.3 -0.988 40.4 107.5-126.1 125.2 11.3 -69.6 -21.4 23 24 A G E -bc 45 70B 0 21,-1.5 23,-2.4 -2,-0.4 2,-0.3 -0.866 56.2-102.6-165.6-163.2 13.8 -68.9 -24.2 24 25 A L - 0 0 2 46,-1.3 48,-0.2 -2,-0.3 1027,-0.1 -0.964 47.9-101.6-150.1 130.3 15.2 -69.1 -27.7 25 26 A H + 0 0 10 1025,-0.5 2,-0.3 -2,-0.3 47,-0.1 -0.192 41.1 165.5 -64.7 142.6 18.0 -71.4 -28.7 26 27 A G > - 0 0 4 45,-0.1 3,-0.8 1009,-0.1 7,-0.2 -0.970 42.9-127.4-145.2 151.6 21.6 -70.5 -29.2 27 28 A S G > S+ 0 0 23 -2,-0.3 3,-1.3 1,-0.2 4,-0.3 0.831 110.8 64.6 -63.6 -32.7 24.8 -72.6 -29.5 28 29 A H G 3 S+ 0 0 7 1,-0.3 -1,-0.2 2,-0.1 72,-0.2 0.775 113.8 31.8 -58.7 -29.2 26.2 -70.5 -26.7 29 30 A I G X> S+ 0 0 0 -3,-0.8 4,-1.3 1,-0.1 3,-0.9 0.093 83.9 112.7-118.1 19.2 23.6 -71.8 -24.3 30 31 A D H <> + 0 0 5 -3,-1.3 4,-3.1 1,-0.2 5,-0.2 0.826 68.8 65.7 -63.4 -33.4 23.1 -75.3 -25.8 31 32 A T H 3> S+ 0 0 21 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.814 103.2 47.8 -59.6 -31.5 24.6 -77.0 -22.7 32 33 A I H <> S+ 0 0 0 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.882 111.9 49.6 -73.8 -41.1 21.5 -75.7 -20.7 33 34 A F H X S+ 0 0 2 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.908 112.3 47.9 -61.0 -44.6 19.2 -77.0 -23.5 34 35 A Q H X S+ 0 0 14 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.875 111.9 49.2 -64.8 -40.1 20.9 -80.4 -23.4 35 36 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.837 109.0 52.5 -69.5 -34.7 20.7 -80.6 -19.6 36 37 A C H <>S+ 0 0 3 -4,-2.0 5,-2.9 2,-0.2 4,-0.3 0.834 107.0 53.7 -67.6 -35.2 17.0 -79.6 -19.6 37 38 A L H ><5S+ 0 0 62 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.938 109.4 47.8 -61.4 -49.7 16.4 -82.5 -22.1 38 39 A D H 3<5S+ 0 0 87 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.831 116.9 42.4 -60.3 -36.5 18.0 -85.0 -19.8 39 40 A H T 3<5S- 0 0 73 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.303 110.2-117.8 -97.3 7.7 16.1 -83.8 -16.7 40 41 A D T < 5 + 0 0 145 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.846 60.0 153.7 55.8 38.8 12.7 -83.4 -18.5 41 42 A V < - 0 0 18 -5,-2.9 -1,-0.2 -6,-0.1 -21,-0.1 -0.885 41.7-129.8 -99.3 112.8 12.6 -79.7 -17.8 42 43 A P - 0 0 58 0, 0.0 -21,-2.1 0, 0.0 2,-0.6 -0.388 16.9-163.3 -66.7 130.9 10.5 -77.9 -20.5 43 44 A I E -b 21 0B 20 -23,-0.2 2,-1.4 -2,-0.1 -21,-0.2 -0.973 13.7-146.1-110.3 112.4 11.9 -74.9 -22.3 44 45 A I E -b 22 0B 17 -23,-2.8 -21,-1.5 -2,-0.6 2,-0.4 -0.669 19.4-156.8 -77.9 94.2 9.1 -73.0 -24.0 45 46 A D E -b 23 0B 4 -2,-1.4 -21,-0.2 -23,-0.2 418,-0.1 -0.643 13.0-169.3 -79.3 126.8 11.0 -71.8 -27.1 46 47 A T - 0 0 0 -23,-2.4 -21,-0.2 -2,-0.4 3,-0.1 -0.120 34.2-110.2-100.4-165.7 9.5 -68.7 -28.6 47 48 A R S S+ 0 0 1 1,-0.3 2,-0.3 959,-0.1 -23,-0.1 0.388 102.0 30.3-108.7 -2.3 10.0 -66.7 -31.9 48 49 A H S > S- 0 0 12 -25,-0.1 4,-1.7 1,-0.1 -1,-0.3 -0.967 71.6-132.9-154.8 139.1 11.5 -63.7 -30.2 49 50 A E H > S+ 0 0 5 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.816 109.5 58.7 -62.9 -32.5 13.6 -63.3 -27.0 50 51 A A H > S+ 0 0 6 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.937 105.8 48.0 -59.6 -48.5 11.4 -60.4 -25.9 51 52 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.873 112.8 49.2 -58.9 -39.1 8.4 -62.7 -26.0 52 53 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.879 112.5 47.5 -67.4 -40.3 10.4 -65.3 -24.1 53 54 A G H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.902 114.0 46.1 -66.8 -44.6 11.4 -62.6 -21.5 54 55 A H H X S+ 0 0 7 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.845 108.9 57.2 -64.8 -35.7 7.9 -61.3 -21.2 55 56 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.887 104.0 52.1 -61.7 -40.5 6.7 -65.0 -20.9 56 57 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.884 110.9 48.4 -61.7 -40.5 9.0 -65.4 -17.9 57 58 A E H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.941 112.0 48.2 -61.4 -51.6 7.4 -62.3 -16.3 58 59 A G H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.888 110.9 50.3 -58.5 -45.6 3.9 -63.6 -17.0 59 60 A Y H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 6,-0.3 0.905 114.4 45.6 -55.8 -46.2 4.6 -67.0 -15.6 60 61 A A H X>S+ 0 0 0 -4,-1.9 5,-1.2 -5,-0.2 4,-1.0 0.892 117.1 43.4 -65.5 -43.9 6.1 -65.3 -12.5 61 62 A R H <5S+ 0 0 17 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.914 120.0 40.2 -71.0 -46.0 3.2 -62.8 -12.1 62 63 A A H <5S+ 0 0 12 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.856 124.4 38.9 -70.5 -37.5 0.4 -65.4 -12.8 63 64 A G H <5S- 0 0 32 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.560 99.1-132.1 -89.6 -9.8 2.0 -68.1 -10.8 64 65 A A T <5S+ 0 0 42 -4,-1.0 2,-0.2 1,-0.2 -3,-0.2 0.895 74.8 97.4 52.3 46.3 3.3 -65.9 -7.9 65 66 A K S - 0 0 8 -2,-0.3 5,-0.9 26,-0.2 -1,-0.0 -0.288 43.7 -67.6 -90.6 177.2 21.8 -66.4 -26.1 73 74 A A T > 5S- 0 0 0 3,-0.2 3,-1.4 27,-0.2 2,-0.5 -0.198 98.3 -8.6 -59.4 151.5 24.9 -64.1 -26.6 74 75 A G T 3>5S+ 0 0 0 38,-0.4 4,-2.2 1,-0.3 3,-0.3 -0.458 138.8 22.5 70.9-110.9 24.6 -60.8 -28.3 75 76 A G H 3>5S+ 0 0 2 897,-0.7 4,-1.9 -2,-0.5 -1,-0.3 0.731 118.4 65.1 -64.0 -26.3 21.2 -60.3 -29.9 76 77 A G H <45S+ 0 0 2 -3,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.958 109.3 37.7 -58.2 -53.2 19.7 -62.8 -27.6 77 78 A F H >4< S+ 0 0 2 -4,-2.2 3,-0.9 1,-0.3 559,-0.3 0.800 106.9 54.1 -64.5 -29.7 19.6 -57.2 -26.4 79 80 A N T 3< S+ 0 0 14 -4,-1.9 -1,-0.3 1,-0.2 3,-0.2 0.659 105.6 55.5 -72.6 -17.6 16.2 -58.6 -27.5 80 81 A A T <> S+ 0 0 0 -3,-1.5 4,-1.6 -4,-0.5 -1,-0.2 0.362 80.8 94.0 -95.5 4.0 15.5 -59.4 -23.8 81 82 A V H <> S+ 0 0 3 -3,-0.9 4,-2.8 -4,-0.2 5,-0.2 0.858 79.1 54.0 -69.9 -40.2 16.1 -55.8 -22.6 82 83 A T H > S+ 0 0 4 551,-0.3 4,-3.0 -4,-0.3 -1,-0.2 0.942 109.0 49.9 -58.9 -50.2 12.5 -54.6 -22.7 83 84 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -2,-0.2 0.886 111.6 49.4 -51.4 -43.3 11.3 -57.6 -20.6 84 85 A I H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.950 113.2 45.3 -62.2 -50.8 14.1 -56.8 -18.1 85 86 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 5,-0.2 0.880 114.3 50.2 -58.7 -41.5 13.1 -53.1 -18.0 86 87 A N H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.939 112.0 46.0 -62.3 -49.8 9.5 -54.1 -17.6 87 88 A A H X>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 4,-1.0 0.808 108.8 58.9 -62.7 -33.2 10.2 -56.5 -14.8 88 89 A W H <5S+ 0 0 85 -4,-2.2 3,-0.3 2,-0.2 -1,-0.2 0.945 113.8 34.4 -60.5 -51.9 12.3 -53.9 -13.1 89 90 A L H <5S+ 0 0 10 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.808 119.9 50.8 -76.3 -30.2 9.5 -51.3 -12.8 90 91 A D H <5S- 0 0 10 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.582 104.4-129.6 -82.0 -12.5 6.8 -53.9 -12.3 91 92 A R T <5 + 0 0 8 -4,-1.0 62,-0.3 -3,-0.3 63,-0.2 0.935 48.9 159.8 62.1 50.3 8.8 -55.6 -9.4 92 93 A T < - 0 0 0 -5,-2.0 2,-1.0 60,-0.1 -1,-0.2 -0.904 44.5-120.6-109.6 132.6 8.5 -59.1 -10.9 93 94 A P + 0 0 4 0, 0.0 -26,-2.2 0, 0.0 2,-0.4 -0.549 48.4 155.0 -76.1 101.2 10.9 -61.9 -9.9 94 95 A V E -d 67 0B 0 -2,-1.0 62,-2.3 60,-0.5 2,-0.9 -0.993 36.2-148.5-130.4 127.4 12.6 -63.1 -13.1 95 96 A L E -de 68 156B 0 -28,-2.9 -26,-2.2 -2,-0.4 2,-0.9 -0.848 16.3-158.9 -89.7 105.7 16.0 -64.8 -13.4 96 97 A F E -de 69 157B 2 60,-3.1 62,-2.7 -2,-0.9 2,-0.6 -0.801 7.0-166.8 -86.3 106.2 17.3 -63.7 -16.8 97 98 A L E +de 70 158B 0 -28,-3.2 -26,-3.0 -2,-0.9 2,-0.4 -0.867 13.2 179.2 -93.7 120.9 19.9 -66.2 -17.8 98 99 A T E -de 71 159B 0 60,-2.4 62,-3.5 -2,-0.6 -26,-0.2 -0.963 22.8-137.9-126.5 142.2 22.0 -65.0 -20.8 99 100 A G E + e 0 160B 0 -28,-1.8 2,-0.3 -2,-0.4 -25,-0.3 -0.402 25.8 178.2 -79.1 167.3 24.9 -66.4 -22.8 100 101 A S E - e 0 161B 3 60,-0.8 62,-2.1 -27,-0.2 -27,-0.2 -0.944 39.6 -58.9-157.5 174.2 27.9 -64.2 -23.8 101 102 A G - 0 0 3 11,-0.3 11,-0.1 -2,-0.3 5,-0.1 -0.292 67.6 -92.1 -58.3 142.6 31.2 -64.5 -25.7 102 103 A A - 0 0 6 59,-0.2 -1,-0.1 1,-0.1 -74,-0.0 -0.234 27.7-126.4 -51.5 143.4 33.6 -67.0 -24.2 103 104 A L S > S+ 0 0 47 -3,-0.1 3,-0.9 2,-0.1 2,-0.2 0.875 101.1 69.5 -63.0 -39.8 36.1 -65.4 -21.7 104 105 A R T 3 S+ 0 0 146 1,-0.3 59,-0.1 3,-0.0 3,-0.1 -0.526 101.3 33.1 -70.7 151.7 38.9 -66.9 -23.8 105 106 A D T > S+ 0 0 71 1,-0.2 3,-0.9 -2,-0.2 5,-0.3 0.814 85.9 165.6 55.6 32.9 39.0 -65.0 -27.1 106 107 A D T < + 0 0 104 -3,-0.9 -1,-0.2 1,-0.2 -3,-0.1 -0.534 65.9 18.0 -64.9 142.4 37.9 -61.9 -25.2 107 108 A E T 3 S+ 0 0 117 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.820 89.9 120.7 59.6 36.6 38.4 -58.7 -27.3 108 109 A T S < S- 0 0 20 -3,-0.9 -2,-0.1 757,-0.0 -1,-0.1 0.259 79.9-119.0-110.7 10.9 38.7 -60.8 -30.6 109 110 A N + 0 0 22 726,-0.2 727,-2.5 1,-0.1 728,-0.2 0.849 60.6 160.8 52.0 38.5 35.8 -59.2 -32.5 110 111 A T > - 0 0 25 -5,-0.3 3,-1.4 725,-0.2 -1,-0.1 -0.253 46.3 -62.4 -86.2 174.3 34.1 -62.6 -32.6 111 112 A L T 3 S- 0 0 55 1,-0.2 861,-0.2 725,-0.1 -1,-0.2 -0.294 114.9 -5.6 -59.0 133.1 30.5 -63.6 -33.2 112 113 A Q T 3 S+ 0 0 28 859,-2.9 -38,-0.4 1,-0.2 -11,-0.3 0.561 113.5 100.1 60.7 13.7 27.9 -62.3 -30.7 113 114 A A < + 0 0 17 -3,-1.4 -1,-0.2 858,-0.3 3,-0.1 -0.553 37.9 72.7-114.7-177.8 30.6 -60.9 -28.4 114 115 A G S S+ 0 0 53 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.397 73.2 111.2 90.9 -2.4 32.0 -57.3 -27.8 115 116 A I - 0 0 16 -3,-0.2 2,-1.5 857,-0.0 -1,-0.2 -0.921 66.6-138.2-106.6 123.9 28.9 -56.2 -26.0 116 117 A D > + 0 0 91 -2,-0.5 4,-1.4 562,-0.3 5,-0.1 -0.654 29.2 174.0 -79.4 90.8 29.0 -55.4 -22.2 117 118 A Q H > S+ 0 0 1 -2,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.824 73.3 55.7 -71.2 -34.7 25.7 -57.0 -21.4 118 119 A V H > S+ 0 0 29 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 107.5 49.0 -63.2 -45.7 26.1 -56.6 -17.6 119 120 A A H 4 S+ 0 0 32 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.847 109.9 52.3 -63.6 -35.8 26.6 -52.8 -17.9 120 121 A M H < S+ 0 0 4 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.824 116.4 39.2 -68.3 -32.6 23.5 -52.5 -20.2 121 122 A A H >< S+ 0 0 0 -4,-1.4 3,-1.5 -3,-0.2 4,-0.2 0.620 92.2 88.9 -94.2 -16.3 21.4 -54.4 -17.6 122 123 A A G >< S+ 0 0 58 -4,-1.7 3,-0.7 1,-0.3 -1,-0.2 0.832 87.4 49.8 -51.9 -41.4 22.9 -52.7 -14.5 123 124 A P G 3 S+ 0 0 35 0, 0.0 -1,-0.3 0, 0.0 548,-0.2 0.672 118.3 39.5 -73.5 -14.0 20.5 -49.8 -14.5 124 125 A I G < S+ 0 0 0 -3,-1.5 2,-0.3 -4,-0.1 -2,-0.2 0.063 104.7 72.4-125.1 24.1 17.4 -52.1 -14.8 125 126 A T < - 0 0 11 -3,-0.7 3,-0.2 -4,-0.2 31,-0.2 -0.958 69.2-134.7-135.3 155.0 18.3 -55.1 -12.5 126 127 A K S S+ 0 0 73 29,-2.6 2,-0.3 1,-0.3 30,-0.2 0.794 103.2 3.6 -70.1 -31.6 18.5 -55.8 -8.8 127 128 A W E -f 156 0B 58 28,-0.6 30,-2.4 -6,-0.1 2,-0.4 -0.906 64.3-175.6-158.4 124.9 21.8 -57.6 -9.6 128 129 A A E +f 157 0B 18 -2,-0.3 2,-0.3 -3,-0.2 30,-0.2 -0.996 23.0 158.0-123.8 125.7 23.7 -58.0 -12.9 129 130 A H E -f 158 0B 71 28,-2.3 30,-3.1 -2,-0.4 2,-0.5 -1.000 35.2-135.1-153.4 145.1 26.8 -60.1 -12.9 130 131 A R E -f 159 0B 70 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.891 28.1-124.7-105.3 129.0 29.0 -62.2 -15.2 131 132 A V - 0 0 0 28,-3.0 33,-0.2 -2,-0.5 3,-0.1 -0.578 24.1-175.7 -76.9 126.4 30.2 -65.7 -14.1 132 133 A M + 0 0 101 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.545 65.0 31.7-102.1 -13.5 34.0 -65.9 -14.1 133 134 A A > - 0 0 21 1,-0.1 3,-1.4 31,-0.0 4,-0.4 -0.992 67.2-132.4-150.5 140.6 34.4 -69.6 -13.2 134 135 A T G > S+ 0 0 3 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.847 108.5 59.7 -59.4 -36.3 32.5 -72.8 -13.9 135 136 A E G 3 S+ 0 0 103 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.682 99.2 58.8 -66.2 -20.6 32.8 -73.8 -10.2 136 137 A H G <> S+ 0 0 63 -3,-1.4 4,-2.3 1,-0.2 5,-0.3 0.574 80.0 93.1 -83.6 -12.7 31.0 -70.6 -9.2 137 138 A I H <> S+ 0 0 0 -3,-1.3 4,-2.6 -4,-0.4 5,-0.3 0.906 82.9 46.1 -52.6 -56.4 27.8 -71.5 -11.2 138 139 A P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.909 117.0 42.6 -57.7 -45.5 25.7 -73.2 -8.5 139 140 A R H > S+ 0 0 127 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.855 117.2 46.9 -70.6 -34.4 26.3 -70.6 -5.7 140 141 A L H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.827 111.1 50.7 -76.2 -34.7 25.9 -67.6 -8.1 141 142 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.903 113.5 46.3 -65.7 -42.1 22.7 -68.9 -9.6 142 143 A M H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.863 111.5 51.5 -69.1 -36.7 21.3 -69.5 -6.2 143 144 A Q H X S+ 0 0 71 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.886 109.3 51.2 -63.4 -41.3 22.4 -66.0 -5.1 144 145 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.880 110.2 48.9 -62.5 -41.9 20.7 -64.6 -8.2 145 146 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.897 108.8 52.2 -66.7 -43.1 17.5 -66.4 -7.3 146 147 A R H X S+ 0 0 90 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.886 111.2 49.0 -58.6 -40.8 17.6 -65.2 -3.6 147 148 A A H < S+ 0 0 29 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.913 112.7 45.9 -64.7 -46.8 18.0 -61.6 -5.0 148 149 A A H < S+ 0 0 0 -4,-2.2 6,-1.4 1,-0.2 -2,-0.2 0.891 114.3 47.7 -63.7 -41.9 15.0 -61.9 -7.4 149 150 A L H < S+ 0 0 40 -4,-2.4 -1,-0.2 4,-0.2 4,-0.2 0.630 95.5 88.4 -79.2 -18.0 12.7 -63.5 -4.9 150 151 A S S < S- 0 0 41 -4,-1.0 4,-0.1 -3,-0.3 35,-0.0 -0.488 89.3 -48.5 -89.0 158.5 13.2 -61.1 -2.0 151 152 A A S S+ 0 0 36 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.456 128.0 30.6 -77.3 132.5 11.4 -57.8 -1.3 152 153 A P S S- 0 0 29 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.557 98.3-137.3 -79.2 141.6 11.0 -55.9 -3.4 153 154 A R + 0 0 36 -62,-0.3 -4,-0.2 -4,-0.2 -5,-0.1 -0.198 37.8 148.3 -59.5 150.5 10.9 -58.5 -6.2 154 155 A G - 0 0 1 -6,-1.4 -60,-0.5 -63,-0.2 -66,-0.2 -0.987 44.6 -70.9-174.1 170.2 12.8 -57.8 -9.4 155 156 A P - 0 0 0 0, 0.0 -29,-2.6 0, 0.0 -28,-0.6 -0.433 36.0-163.1 -77.2 147.6 14.8 -59.0 -12.4 156 157 A V E -ef 95 127B 0 -62,-2.3 -60,-3.1 -31,-0.2 2,-0.6 -0.995 8.6-146.8-129.6 135.5 18.3 -60.4 -12.1 157 158 A L E -ef 96 128B 1 -30,-2.4 -28,-2.3 -2,-0.4 2,-0.6 -0.920 13.0-174.9-106.3 118.1 20.8 -60.8 -15.0 158 159 A L E -ef 97 129B 0 -62,-2.7 -60,-2.4 -2,-0.6 2,-0.5 -0.953 12.9-153.7-112.4 115.5 23.2 -63.7 -14.7 159 160 A D E -ef 98 130B 3 -30,-3.1 -28,-3.0 -2,-0.6 -60,-0.2 -0.804 9.4-170.7 -97.3 123.6 25.7 -63.7 -17.6 160 161 A L E -e 99 0B 1 -62,-3.5 -60,-0.8 -2,-0.5 5,-0.1 -0.857 15.1-142.4-121.7 95.1 27.1 -67.1 -18.6 161 162 A P E > -e 100 0B 0 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.234 21.6-121.2 -56.7 140.0 30.1 -67.1 -21.0 162 163 A W H > S+ 0 0 64 -62,-2.1 4,-2.3 1,-0.3 5,-0.2 0.832 116.2 57.2 -48.7 -40.2 30.1 -69.9 -23.6 163 164 A D H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.943 106.9 45.5 -47.5 -60.2 33.5 -70.8 -22.1 164 165 A I H 4 S+ 0 0 10 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.787 115.2 48.1 -63.0 -32.5 32.1 -71.2 -18.6 165 166 A L H < S+ 0 0 0 -4,-1.9 -159,-1.7 -160,-0.2 -160,-1.6 0.857 112.9 44.3 -80.6 -39.2 29.1 -73.3 -19.8 166 167 A M H < S+ 0 0 65 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.741 89.7 109.6 -77.0 -25.0 31.0 -75.7 -22.1 167 168 A N < - 0 0 69 -4,-1.7 -162,-0.8 -5,-0.2 2,-0.5 -0.238 62.0-144.0 -53.8 134.1 33.7 -76.2 -19.4 168 169 A Q E +A 4 0A 120 -164,-0.2 2,-0.3 -163,-0.1 -164,-0.2 -0.900 23.3 172.2-109.3 132.2 33.6 -79.6 -17.8 169 170 A I E -A 3 0A 15 -166,-2.4 -166,-2.6 -2,-0.5 2,-0.5 -0.885 43.8 -81.1-133.3 164.5 34.4 -80.2 -14.2 170 171 A D E >> -A 2 0A 65 -2,-0.3 3,-1.5 -168,-0.2 4,-0.9 -0.549 33.7-154.6 -69.8 114.5 34.3 -83.0 -11.6 171 172 A E T 34 S+ 0 0 53 -170,-2.7 -1,-0.2 -2,-0.5 -169,-0.1 0.708 89.8 61.7 -64.8 -22.4 30.6 -83.2 -10.4 172 173 A D T 34 S+ 0 0 135 -171,-0.4 -1,-0.3 1,-0.2 -170,-0.1 0.630 103.6 49.0 -79.5 -14.6 31.7 -84.8 -7.0 173 174 A S T <4 S+ 0 0 80 -3,-1.5 2,-0.5 1,-0.1 -1,-0.2 0.696 97.3 73.4 -97.9 -24.8 33.8 -81.7 -6.0 174 175 A V S < S- 0 0 20 -4,-0.9 2,-0.3 -5,-0.0 -1,-0.1 -0.832 74.2-143.0 -99.8 123.6 31.2 -79.0 -6.7 175 176 A I - 0 0 129 -2,-0.5 -36,-0.1 -40,-0.1 -3,-0.1 -0.650 1.9-143.7 -90.5 137.7 28.4 -78.6 -4.3 176 177 A I - 0 0 33 -2,-0.3 2,-0.0 -38,-0.1 -37,-0.0 -0.896 24.9-142.8 -98.3 113.0 24.8 -77.7 -5.3 177 178 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 -162,-0.1 -0.333 9.4-120.6 -76.0 156.3 23.3 -75.5 -2.6 178 179 A D - 0 0 99 -162,-0.0 2,-1.2 -2,-0.0 -162,-0.1 -0.483 31.9-101.9 -81.3 161.3 19.7 -75.6 -1.4 179 180 A L + 0 0 55 -164,-0.6 2,-0.8 -2,-0.2 -1,-0.0 -0.796 46.5 176.7 -81.9 98.0 17.4 -72.6 -1.6 180 181 A V + 0 0 124 -2,-1.2 2,-0.3 2,-0.0 -1,-0.0 -0.814 28.1 124.6-107.9 86.8 17.6 -71.6 2.0 181 182 A L - 0 0 70 -2,-0.8 -2,-0.0 -31,-0.0 0, 0.0 -0.945 64.0-110.3-146.4 121.4 15.5 -68.4 2.1 182 183 A S - 0 0 82 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.243 13.0-150.7 -57.3 134.3 12.5 -67.9 4.4 183 184 A A S S+ 0 0 65 2,-0.1 2,-0.7 1,-0.0 -1,-0.1 0.655 81.4 80.0 -77.9 -19.6 9.1 -67.8 2.7 184 185 A H S S- 0 0 134 139,-0.0 3,-0.1 138,-0.0 -2,-0.1 -0.834 80.7-140.7 -92.6 114.7 7.8 -65.6 5.5 185 186 A G - 0 0 24 -2,-0.7 -2,-0.1 1,-0.1 2,-0.1 -0.199 31.9 -79.4 -69.6 163.7 8.9 -62.0 4.9 186 187 A A - 0 0 73 1,-0.1 134,-2.1 137,-0.0 137,-0.3 -0.364 49.2-147.9 -64.4 140.9 10.0 -59.6 7.6 187 188 A R - 0 0 104 132,-0.2 137,-0.1 136,-0.2 134,-0.1 -0.752 21.2 -89.4-113.2 158.5 7.1 -58.0 9.6 188 189 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 131,-0.1 -0.223 49.5 -91.9 -62.8 152.5 6.7 -54.6 11.4 189 190 A D >> - 0 0 95 1,-0.1 4,-2.3 4,-0.0 3,-0.7 -0.391 38.9-115.5 -55.6 138.5 7.8 -54.0 15.0 190 191 A P H 3> S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.811 116.7 56.3 -49.0 -36.7 4.8 -54.6 17.3 191 192 A A H 3> S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.881 109.1 45.1 -64.4 -41.3 4.8 -50.9 18.3 192 193 A D H <> S+ 0 0 61 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.868 113.6 49.9 -68.3 -39.5 4.5 -49.9 14.6 193 194 A L H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.865 111.8 48.7 -67.1 -38.1 1.7 -52.5 14.1 194 195 A D H X S+ 0 0 102 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.925 111.1 49.1 -65.3 -47.2 -0.1 -51.2 17.2 195 196 A Q H X S+ 0 0 100 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.865 112.7 49.3 -58.8 -39.1 0.2 -47.5 16.0 196 197 A A H X S+ 0 0 7 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.915 113.8 44.1 -66.0 -45.7 -1.1 -48.6 12.6 197 198 A L H X S+ 0 0 10 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.774 111.0 55.4 -71.7 -28.0 -4.1 -50.5 14.1 198 199 A A H X S+ 0 0 55 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.849 109.8 45.7 -71.9 -37.0 -4.8 -47.7 16.5 199 200 A L H X S+ 0 0 15 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.851 112.3 52.1 -70.1 -37.1 -5.0 -45.2 13.6 200 201 A L H < S+ 0 0 2 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.771 107.1 54.2 -69.6 -28.3 -7.2 -47.7 11.7 201 202 A R H < S+ 0 0 65 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.857 112.4 39.7 -76.7 -38.2 -9.6 -48.0 14.7 202 203 A K H < S+ 0 0 139 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.511 91.6 113.5 -90.8 -6.0 -10.4 -44.3 15.2 203 204 A A < - 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