==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUL-00 1F9D . COMPND 2 MOLECULE: ENDO-1,4-BETA-GLUCANASE F; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR G.PARSIEGLA,C.REVERBEL-LEROY,C.TARDIF,J.P.BELAICH,H.DRIGUEZ, . 629 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 29 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 3 0 0 0 1 2 0 0 0 2 0 2 0 2 4 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 12 8 3 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 5 3 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 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 1 A A 0 0 129 0, 0.0 248,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 148.0 108.6 74.2 42.2 2 2 A S - 0 0 29 1,-0.1 3,-0.1 67,-0.1 243,-0.0 -0.514 360.0-101.2 -79.1 147.3 105.9 76.6 40.9 3 3 A S - 0 0 63 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.107 50.5 -82.1 -60.6 163.0 106.3 78.1 37.4 4 4 A P - 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.363 45.1-148.4 -69.3 149.8 107.6 81.7 37.0 5 5 A A - 0 0 22 -3,-0.1 2,-0.3 623,-0.1 620,-0.2 -0.897 28.4 -92.2-121.9 150.9 105.2 84.6 37.5 6 6 A N > - 0 0 18 618,-2.7 4,-1.9 -2,-0.3 5,-0.2 -0.442 35.3-147.7 -60.1 115.7 105.1 88.0 35.9 7 7 A K H > S+ 0 0 130 -2,-0.3 4,-2.1 621,-0.3 5,-0.2 0.837 90.2 57.6 -56.7 -40.4 107.1 90.2 38.4 8 8 A V H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.959 113.6 36.0 -58.2 -54.0 105.0 93.4 37.8 9 9 A Y H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.771 112.0 58.9 -75.1 -25.3 101.7 91.9 38.7 10 10 A Q H X S+ 0 0 41 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.946 106.9 49.8 -65.8 -44.6 103.0 89.6 41.5 11 11 A D H X S+ 0 0 60 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.860 108.7 52.1 -59.7 -38.1 104.3 92.8 43.2 12 12 A R H X S+ 0 0 32 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.883 110.2 48.2 -67.5 -37.2 100.8 94.4 42.7 13 13 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.961 111.8 49.7 -64.9 -50.3 99.2 91.4 44.4 14 14 A E H X S+ 0 0 74 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.832 110.0 51.1 -56.2 -36.1 101.8 91.5 47.3 15 15 A S H X S+ 0 0 39 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.928 111.9 46.0 -68.3 -46.0 101.1 95.3 47.8 16 16 A M H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.917 109.6 55.5 -62.8 -42.7 97.4 94.7 47.9 17 17 A Y H X S+ 0 0 27 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.895 108.5 48.5 -57.4 -40.7 97.9 91.8 50.3 18 18 A S H X S+ 0 0 76 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.872 111.6 48.7 -67.7 -38.7 99.8 94.1 52.6 19 19 A K H < S+ 0 0 46 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.894 112.3 48.8 -69.0 -38.5 97.2 96.8 52.5 20 20 A I H < S+ 0 0 0 -4,-2.8 7,-0.4 1,-0.2 -2,-0.2 0.909 117.7 39.3 -68.6 -40.1 94.4 94.3 53.3 21 21 A K H < S+ 0 0 66 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.585 85.6 119.7 -85.5 -10.4 96.3 92.7 56.2 22 22 A D >X - 0 0 65 -4,-1.1 3,-2.2 1,-0.2 4,-0.7 -0.410 59.4-146.8 -60.7 113.8 97.6 96.0 57.6 23 23 A P T 34 S+ 0 0 123 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.763 97.1 60.9 -51.5 -31.0 96.2 96.4 61.1 24 24 A A T 34 S+ 0 0 86 1,-0.2 -2,-0.1 2,-0.1 -5,-0.1 0.706 97.7 58.0 -72.7 -20.7 96.1 100.2 60.6 25 25 A N T <4 S- 0 0 13 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 0.709 97.2-140.4 -83.3 -20.5 93.7 99.8 57.7 26 26 A G < + 0 0 27 -4,-0.7 9,-0.1 -3,-0.4 -2,-0.1 0.794 53.5 138.8 69.5 33.7 91.0 98.0 59.8 27 27 A Y + 0 0 1 -5,-0.4 8,-3.0 -7,-0.4 2,-0.3 0.731 67.3 54.9 -78.1 -21.7 89.7 95.3 57.4 28 28 A F B S-A 34 0A 38 6,-0.3 2,-0.1 -6,-0.1 -2,-0.0 -0.836 79.7-126.1-116.3 151.8 89.7 92.8 60.3 29 29 A S > - 0 0 9 4,-2.7 3,-1.6 -2,-0.3 -2,-0.1 -0.253 43.2 -94.8 -79.7 176.3 88.1 92.7 63.7 30 30 A E T 3 S+ 0 0 166 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.751 126.5 58.5 -66.7 -22.3 90.2 92.0 66.8 31 31 A Q T 3 S- 0 0 54 2,-0.1 -1,-0.3 127,-0.1 -3,-0.0 0.437 123.1-103.9 -86.4 1.5 89.2 88.4 66.6 32 32 A G S < S+ 0 0 15 -3,-1.6 -2,-0.1 1,-0.3 51,-0.1 0.628 75.5 138.8 87.8 14.6 90.7 88.1 63.0 33 33 A I - 0 0 0 50,-0.0 -4,-2.7 125,-0.0 -1,-0.3 -0.778 52.5-124.2 -94.8 131.0 87.4 88.2 61.2 34 34 A P B -A 28 0A 0 0, 0.0 -6,-0.3 0, 0.0 19,-0.2 -0.538 22.7-133.0 -76.4 140.8 87.2 90.3 58.0 35 35 A Y - 0 0 20 -8,-3.0 575,-0.3 -2,-0.2 17,-0.2 -0.456 19.9-116.1 -84.9 161.4 84.4 92.9 57.8 36 36 A H S S- 0 0 5 15,-1.9 574,-2.3 13,-0.9 575,-0.4 0.901 98.0 -11.1 -62.2 -39.7 82.2 93.4 54.8 37 37 A S B -B 609 0B 0 12,-1.6 -1,-0.3 572,-0.3 572,-0.2 -0.984 62.0-120.4-157.4 154.1 83.7 96.8 54.5 38 38 A I S S+ 0 0 24 570,-1.8 2,-0.1 -2,-0.3 -1,-0.1 0.952 97.4 76.1 -60.7 -49.0 86.0 99.1 56.4 39 39 A E - 0 0 27 569,-0.2 -2,-0.1 1,-0.1 -3,-0.0 -0.409 68.6-156.9 -67.7 135.0 83.3 101.8 56.4 40 40 A T S S+ 0 0 25 -2,-0.1 2,-2.3 1,-0.1 9,-2.3 0.839 75.9 82.0 -82.9 -36.6 80.4 101.2 58.8 41 41 A L S S+ 0 0 1 7,-0.2 2,-0.4 8,-0.1 -1,-0.1 -0.487 70.7 139.3 -71.9 84.1 77.6 103.3 57.2 42 42 A M + 0 0 0 -2,-2.3 2,-0.4 5,-0.2 8,-0.1 -0.958 23.8 160.2-142.3 120.3 76.9 100.4 54.8 43 43 A V + 0 0 4 -2,-0.4 4,-0.2 4,-0.1 503,-0.1 -0.983 35.2 100.8-139.1 122.7 73.6 99.0 53.4 44 44 A E S S- 0 0 67 2,-2.2 144,-0.2 -2,-0.4 3,-0.2 0.301 104.9 -14.8-167.0 -34.7 73.3 96.9 50.2 45 45 A A S S+ 0 0 44 1,-1.4 2,-0.1 143,-0.1 -2,-0.0 0.155 141.8 37.1-145.2 -67.7 73.0 93.1 51.1 46 46 A P S S- 0 0 2 0, 0.0 -2,-2.2 0, 0.0 -1,-1.4 -0.527 84.1-139.1 -81.6 168.7 74.1 93.2 54.7 47 47 A D S S+ 0 0 2 -4,-0.2 2,-0.3 -3,-0.2 -5,-0.2 0.197 79.9 47.6-115.0 18.6 72.8 96.3 56.4 48 48 A Y S > S- 0 0 24 -7,-0.1 3,-1.1 1,-0.1 -12,-0.2 -0.952 74.8-133.2-154.4 135.2 75.9 97.3 58.5 49 49 A G T 3 S+ 0 0 0 -9,-2.3 -12,-1.6 -2,-0.3 -13,-0.9 0.798 99.4 55.6 -62.9 -32.3 79.5 97.5 57.4 50 50 A H T 3 S+ 0 0 31 -10,-0.2 109,-0.6 -15,-0.2 108,-0.4 0.025 81.3 96.6 -96.5 30.2 81.0 95.6 60.3 51 51 A V < - 0 0 0 -3,-1.1 -15,-1.9 106,-0.2 2,-0.3 -0.630 68.8-138.2 -97.8 167.5 79.0 92.3 60.1 52 52 A T E -C 156 0C 0 104,-2.7 104,-2.6 -2,-0.3 2,-0.3 -0.841 12.1-151.2-122.8 166.9 80.8 89.6 58.1 53 53 A T E > -C 155 0C 6 -2,-0.3 4,-2.0 102,-0.2 102,-0.2 -0.906 31.0-116.5-133.6 162.0 79.5 87.2 55.6 54 54 A S H > S+ 0 0 2 100,-1.6 4,-2.2 -2,-0.3 5,-0.2 0.808 119.5 62.4 -67.3 -24.0 80.4 83.7 54.4 55 55 A Q H > S+ 0 0 37 99,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.909 103.1 46.8 -63.6 -42.8 81.1 85.5 51.1 56 56 A A H > S+ 0 0 2 -3,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.909 110.8 52.1 -66.2 -43.5 83.8 87.5 52.8 57 57 A M H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.888 108.0 51.1 -61.0 -41.2 85.3 84.5 54.5 58 58 A S H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.827 110.7 48.8 -68.4 -29.3 85.5 82.6 51.2 59 59 A Y H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.804 107.4 56.0 -76.5 -28.4 87.3 85.6 49.6 60 60 A Y H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.861 107.2 49.9 -69.4 -35.0 89.6 85.6 52.6 61 61 A M H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.895 110.6 48.8 -68.8 -41.3 90.5 82.0 51.8 62 62 A W H X S+ 0 0 4 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.893 111.0 51.2 -65.1 -42.2 91.1 82.8 48.1 63 63 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.958 111.9 45.1 -60.9 -53.0 93.4 85.7 49.1 64 64 A E H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 13,-0.3 0.831 109.5 55.5 -62.5 -34.2 95.5 83.7 51.5 65 65 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.921 109.2 47.5 -63.9 -43.1 95.8 80.8 49.0 66 66 A M H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.872 110.4 52.6 -64.6 -38.8 97.2 83.2 46.4 67 67 A H H X S+ 0 0 32 -4,-2.0 4,-2.6 1,-0.2 5,-0.4 0.915 106.6 52.9 -63.9 -42.2 99.5 84.6 49.1 68 68 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.885 103.7 58.9 -59.5 -37.8 100.7 81.1 49.8 69 69 A R H < S+ 0 0 17 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.863 115.9 32.0 -59.1 -39.9 101.5 80.7 46.1 70 70 A F H < S+ 0 0 26 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.743 128.6 34.4 -93.0 -26.3 103.9 83.6 46.0 71 71 A S H < S- 0 0 59 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.661 92.9-129.8-102.7 -18.5 105.4 83.5 49.5 72 72 A G S < S+ 0 0 8 -4,-2.2 2,-0.6 -5,-0.4 -4,-0.2 0.452 72.9 118.2 82.9 -1.5 105.5 79.8 50.1 73 73 A D + 0 0 70 -6,-0.4 -1,-0.2 1,-0.1 3,-0.2 -0.891 32.3 169.8-104.2 116.9 103.8 80.4 53.5 74 74 A F > + 0 0 10 -2,-0.6 4,-2.2 1,-0.1 3,-0.3 0.302 50.5 101.4-107.8 8.9 100.4 78.7 53.9 75 75 A T H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.814 82.1 56.2 -62.4 -28.6 99.8 79.3 57.6 76 76 A G H > S+ 0 0 12 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 105.6 49.6 -70.7 -37.2 97.5 82.2 56.7 77 77 A F H > S+ 0 0 0 -13,-0.3 4,-1.5 -3,-0.3 -2,-0.2 0.932 111.3 48.8 -66.4 -46.1 95.3 80.0 54.5 78 78 A D H X S+ 0 0 52 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.853 110.1 53.7 -61.7 -32.9 95.1 77.4 57.3 79 79 A K H X S+ 0 0 105 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.865 101.6 56.7 -70.9 -34.1 94.2 80.3 59.6 80 80 A S H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.884 109.5 47.5 -64.0 -34.7 91.4 81.5 57.4 81 81 A W H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.874 109.3 53.1 -72.0 -36.6 89.9 78.0 57.7 82 82 A S H X S+ 0 0 67 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.886 110.6 46.5 -64.6 -39.9 90.3 78.0 61.5 83 83 A V H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 5,-0.4 0.900 111.0 53.5 -69.5 -39.6 88.5 81.3 61.8 84 84 A T H X>S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 5,-1.2 0.961 112.0 43.4 -57.8 -54.1 85.7 80.1 59.6 85 85 A E H <5S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.846 116.2 47.4 -63.2 -36.8 85.1 76.9 61.6 86 86 A Q H <5S+ 0 0 116 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.877 129.2 18.1 -74.5 -35.8 85.3 78.7 64.9 87 87 A Y H <5S+ 0 0 38 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.707 128.6 34.1-112.2 -24.5 83.0 81.6 64.0 88 88 A L T <5S+ 0 0 0 -4,-3.0 65,-2.8 -5,-0.4 -3,-0.2 0.605 101.9 69.8-109.7 -15.1 80.8 80.9 61.0 89 89 A I S > - 0 0 50 -5,-0.2 4,-1.8 1,-0.1 3,-0.7 -0.108 33.4 -84.3 -78.4-178.6 79.5 74.7 66.8 92 92 A E T 34 S+ 0 0 136 1,-0.3 5,-0.3 2,-0.2 -1,-0.1 0.783 132.3 51.5 -57.3 -30.7 78.0 71.9 69.0 93 93 A K T 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.779 110.2 48.7 -78.6 -27.4 76.7 74.6 71.3 94 94 A D T <4 S+ 0 0 15 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.741 126.4 23.3 -85.1 -26.5 75.0 76.5 68.5 95 95 A Q S < S- 0 0 3 -4,-1.8 -1,-0.2 208,-0.1 5,-0.1 -0.529 90.0-148.0-138.1 67.0 73.2 73.6 66.9 96 96 A P >> - 0 0 27 0, 0.0 4,-2.2 0, 0.0 3,-1.3 -0.039 9.4-140.5 -41.1 124.8 72.9 71.0 69.7 97 97 A N H 3> S+ 0 0 66 1,-0.3 4,-3.2 -5,-0.3 5,-0.2 0.754 98.9 72.6 -61.6 -24.1 73.1 67.4 68.4 98 98 A T H 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.886 109.2 31.7 -59.6 -36.6 70.4 66.6 70.9 99 99 A S H X4 S+ 0 0 3 -3,-1.3 3,-1.3 2,-0.1 -2,-0.2 0.880 119.5 51.9 -86.5 -41.4 68.0 68.5 68.7 100 100 A M H >< S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.851 102.4 60.1 -63.4 -36.2 69.6 67.7 65.4 101 101 A S T 3< S+ 0 0 60 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.1 0.578 95.4 64.1 -69.8 -8.0 69.6 64.0 66.1 102 102 A R T < S+ 0 0 158 -3,-1.3 209,-0.3 -5,-0.2 -1,-0.3 0.324 75.4 129.3 -94.9 6.5 65.8 64.0 66.3 103 103 A Y < - 0 0 22 -3,-1.7 2,-0.6 207,-0.2 209,-0.1 -0.350 52.8-144.0 -61.3 139.4 65.6 65.1 62.7 104 104 A D > - 0 0 82 207,-0.4 3,-1.9 3,-0.4 30,-0.1 -0.909 8.2-163.1-113.2 106.7 63.2 62.9 60.7 105 105 A A T 3 S+ 0 0 29 -2,-0.6 29,-3.0 1,-0.3 -1,-0.1 0.699 91.5 56.4 -60.4 -21.8 64.4 62.3 57.1 106 106 A N T 3 S+ 0 0 93 1,-0.3 -1,-0.3 27,-0.2 25,-0.1 0.595 120.5 29.3 -86.3 -10.7 60.9 61.2 56.0 107 107 A K S < S+ 0 0 74 -3,-1.9 -3,-0.4 1,-0.1 -1,-0.3 -0.523 72.2 171.4-146.4 69.0 59.4 64.5 57.2 108 108 A P - 0 0 1 0, 0.0 205,-1.1 0, 0.0 2,-0.3 0.821 64.0 -21.8 -48.8 -44.7 62.3 67.1 56.8 109 109 A A - 0 0 10 203,-0.2 2,-0.5 166,-0.1 203,-0.0 -0.937 67.8 -92.6-158.6 177.9 60.1 70.2 57.6 110 110 A T - 0 0 48 -2,-0.3 17,-0.1 -3,-0.0 18,-0.0 -0.908 45.0-113.8-107.5 129.1 56.6 71.6 57.7 111 111 A Y + 0 0 18 -2,-0.5 15,-2.9 15,-0.4 18,-0.1 -0.244 37.6 169.3 -61.1 144.8 55.3 73.4 54.6 112 112 A A - 0 0 9 13,-0.2 13,-0.2 15,-0.1 2,-0.1 -0.958 31.3-115.3-153.4 137.8 54.6 77.2 54.7 113 113 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 268,-0.2 -0.345 18.1-131.1 -78.0 160.5 53.8 79.4 51.7 114 114 A E - 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0 0 3 -7,-2.1 2,-0.3 -2,-0.3 69,-0.1 -0.977 17.9-164.3-170.6 167.4 88.5 102.9 45.7 540 540 A T - 0 0 36 -2,-0.3 67,-0.6 67,-0.3 2,-0.4 -0.936 38.5 -91.1-153.3 166.0 86.4 105.4 43.8 541 541 A V E -Z 606 0S 77 -2,-0.3 2,-0.3 65,-0.2 65,-0.2 -0.743 48.0-178.5 -87.6 131.4 83.5 107.8 44.6 542 542 A E E -Z 605 0S 48 63,-2.6 63,-2.2 -2,-0.4 2,-0.3 -0.958 26.6-114.8-132.1 151.3 80.1 106.2 44.1 543 543 A Q E -Z 604 0S 137 -2,-0.3 2,-0.7 61,-0.2 61,-0.2 -0.611 12.9-151.2 -84.4 141.1 76.6 107.4 44.5 544 544 A R > + 0 0 23 59,-3.1 3,-1.7 -2,-0.3 4,-0.2 -0.666 22.8 172.3-110.3 72.1 74.3 105.7 47.1 545 545 A G T 3 S+ 0 0 48 -2,-0.7 3,-0.4 1,-0.3 -1,-0.2 0.694 73.0 51.2 -54.9 -25.1 71.0 106.2 45.3 546 546 A D T > S+ 0 0 81 1,-0.2 3,-2.3 -3,-0.1 -1,-0.3 0.508 77.1 98.8 -93.6 -4.8 69.0 104.1 47.8 547 547 A Y T X + 0 0 3 -3,-1.7 3,-1.8 1,-0.3 4,-0.4 0.667 65.1 76.8 -59.1 -15.1 70.2 105.8 51.0 548 548 A H T >> S+ 0 0 76 -3,-0.4 4,-2.2 1,-0.3 3,-1.2 0.797 82.1 70.8 -64.6 -22.9 67.1 107.9 51.1 549 549 A R H <> S+ 0 0 24 -3,-2.3 4,-1.5 1,-0.3 28,-0.5 0.662 77.4 77.6 -67.2 -15.4 65.4 104.7 52.4 550 550 A F H <4 S+ 0 0 0 -3,-1.8 28,-1.6 -4,-0.2 -1,-0.3 0.905 113.9 20.4 -57.3 -41.1 67.4 105.1 55.7 551 551 A L H <4 S+ 0 0 62 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.766 132.2 38.5-101.1 -32.3 64.8 107.7 56.5 552 552 A D H < S+ 0 0 88 -4,-2.2 2,-0.7 24,-0.1 -3,-0.2 0.450 82.4 104.7-105.2 2.8 61.7 107.0 54.3 553 553 A Q < - 0 0 32 -4,-1.5 24,-1.9 -5,-0.2 2,-0.3 -0.735 58.6-149.8 -87.5 115.4 61.5 103.2 54.2 554 554 A E B -A 576 0T 113 -2,-0.7 2,-0.5 22,-0.2 22,-0.3 -0.605 8.7-141.8 -80.7 140.7 58.6 102.0 56.4 555 555 A V - 0 0 0 20,-2.9 19,-0.5 -2,-0.3 20,-0.2 -0.915 18.7-121.5-105.5 128.6 59.2 98.6 57.9 556 556 A F + 0 0 64 -2,-0.5 17,-0.1 -366,-0.3 20,-0.0 -0.490 32.7 174.9 -73.1 135.0 56.2 96.3 58.1 557 557 A V - 0 0 3 -2,-0.2 3,-0.1 -438,-0.0 17,-0.1 -0.994 37.2-104.4-138.4 128.6 55.2 95.0 61.6 558 558 A P > - 0 0 20 0, 0.0 3,-2.2 0, 0.0 15,-0.3 -0.174 47.6 -87.5 -55.4 144.9 52.0 93.0 62.1 559 559 A A T 3 S+ 0 0 100 1,-0.3 3,-0.1 13,-0.1 13,-0.0 -0.268 113.2 11.1 -54.6 129.2 49.0 94.7 63.7 560 560 A G T 3 S+ 0 0 78 1,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.332 94.9 126.3 85.0 -9.3 49.2 94.5 67.5 561 561 A W < + 0 0 26 -3,-2.2 12,-0.4 -357,-0.0 2,-0.3 -0.717 31.1 170.4 -87.0 127.3 52.8 93.2 67.6 562 562 A T + 0 0 98 -2,-0.5 -357,-0.3 10,-0.1 2,-0.3 -0.993 6.1 142.9-136.3 145.3 55.2 95.2 69.8 563 563 A G E - L 0 571H 9 8,-1.8 8,-3.8 -2,-0.3 2,-0.4 -0.960 35.5-112.8-164.2 178.5 58.7 94.5 70.9 564 564 A K E -KL 203 570H 123 -361,-1.7 -361,-2.3 -2,-0.3 6,-0.2 -0.976 15.4-132.7-131.7 143.2 62.2 95.9 71.6 565 565 A M > - 0 0 4 4,-2.6 3,-3.0 -2,-0.4 -402,-0.1 -0.523 47.2 -96.4 -80.5 157.2 65.6 95.7 70.0 566 566 A P T 3 S+ 0 0 40 0, 0.0 -403,-0.1 0, 0.0 -1,-0.1 0.807 125.9 54.7 -45.4 -36.3 68.4 95.0 72.6 567 567 A N T 3 S- 0 0 70 -405,-0.3 -404,-0.1 1,-0.1 14,-0.0 0.404 126.0 -98.3 -81.5 2.8 69.2 98.7 72.7 568 568 A G < + 0 0 38 -3,-3.0 2,-0.1 1,-0.3 -1,-0.1 0.314 69.7 152.5 100.3 -10.3 65.6 99.6 73.6 569 569 A D - 0 0 23 11,-0.1 -4,-2.6 -5,-0.1 2,-0.3 -0.357 45.9-124.4 -57.6 127.6 64.4 100.7 70.1 570 570 A V E -L 564 0H 62 -6,-0.2 2,-0.6 9,-0.1 -6,-0.2 -0.575 17.6-152.1 -78.8 133.1 60.7 100.0 70.0 571 571 A I E +L 563 0H 0 -8,-3.8 -8,-1.8 -2,-0.3 2,-0.3 -0.933 40.3 122.6-107.6 119.3 59.4 97.8 67.2 572 572 A K > - 0 0 103 -2,-0.6 3,-1.8 -10,-0.2 -17,-0.2 -0.973 67.6 -58.9-166.4 164.0 55.8 98.5 66.1 573 573 A S T 3 S+ 0 0 60 -12,-0.4 -17,-0.1 -2,-0.3 -19,-0.0 -0.206 117.6 34.8 -51.5 135.5 53.8 99.4 63.1 574 574 A G T 3 S+ 0 0 41 -19,-0.5 -1,-0.2 1,-0.3 -18,-0.1 0.184 80.5 136.0 105.1 -17.7 55.0 102.7 61.6 575 575 A V < - 0 0 10 -3,-1.8 -20,-2.9 -20,-0.2 -1,-0.3 -0.274 42.6-142.6 -67.0 150.9 58.7 102.4 62.3 576 576 A K B >> -A 554 0T 73 -22,-0.3 3,-0.8 1,-0.1 4,-0.8 -0.626 34.2 -92.8-104.6 168.7 61.2 103.4 59.6 577 577 A F G >4 S+ 0 0 0 -24,-1.9 3,-1.0 -28,-0.5 -26,-0.1 0.903 126.8 47.5 -46.1 -53.0 64.5 101.7 58.8 578 578 A I G >4 S+ 0 0 11 -28,-1.6 3,-1.5 1,-0.2 -1,-0.3 0.775 98.0 73.2 -64.5 -26.3 66.5 104.0 61.1 579 579 A D G <4 S+ 0 0 68 -3,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.787 102.0 38.8 -61.8 -30.8 63.9 103.6 63.9 580 580 A I G << S+ 0 0 2 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.241 120.6 47.0-104.3 15.1 65.0 100.1 64.8 581 581 A R X + 0 0 6 -3,-1.5 3,-2.0 -4,-0.1 -1,-0.2 -0.315 64.5 152.2-144.4 48.7 68.7 100.8 64.3 582 582 A S G > + 0 0 36 -3,-0.4 3,-1.6 1,-0.3 4,-0.1 0.684 61.6 75.4 -60.2 -18.5 69.1 104.1 66.2 583 583 A K G > S+ 0 0 69 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.740 77.5 77.2 -65.6 -21.0 72.8 103.5 66.9 584 584 A Y G X S+ 0 0 1 -3,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.751 79.1 71.5 -59.9 -23.3 73.5 104.4 63.2 585 585 A K G < S+ 0 0 116 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.660 91.4 57.1 -69.3 -13.7 73.1 108.0 64.3 586 586 A Q G < S+ 0 0 154 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.400 80.2 119.6 -94.3 0.6 76.4 107.8 66.1 587 587 A D S X S- 0 0 15 -3,-1.6 3,-1.9 -4,-0.2 4,-0.5 -0.455 72.6-126.3 -68.2 136.4 78.2 106.7 62.9 588 588 A P T 3 S+ 0 0 118 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.803 110.2 45.9 -52.1 -34.4 80.9 109.2 61.8 589 589 A E T 3> S+ 0 0 55 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.465 87.5 93.5 -89.9 -2.6 79.4 109.5 58.3 590 590 A W H <> S+ 0 0 16 -3,-1.9 4,-2.9 1,-0.2 5,-0.3 0.943 84.9 45.4 -55.9 -56.8 75.8 110.0 59.5 591 591 A Q H > S+ 0 0 139 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.888 113.8 51.1 -55.6 -42.3 75.6 113.8 59.6 592 592 A T H > S+ 0 0 101 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.928 111.7 47.3 -62.0 -44.7 77.3 114.0 56.2 593 593 A M H X S+ 0 0 6 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.954 114.0 45.9 -62.4 -51.1 74.8 111.5 54.7 594 594 A V H X S+ 0 0 30 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.873 107.8 57.4 -61.2 -38.7 71.7 113.3 56.2 595 595 A A H X S+ 0 0 60 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.914 107.5 48.9 -58.8 -42.1 73.0 116.7 55.2 596 596 A A H <>S+ 0 0 15 -4,-1.7 5,-2.7 1,-0.2 -1,-0.2 0.894 110.7 49.3 -65.2 -41.1 73.1 115.5 51.6 597 597 A L H ><5S+ 0 0 35 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.903 109.1 53.0 -65.9 -39.0 69.6 114.1 51.8 598 598 A Q H 3<5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.812 106.9 52.4 -64.9 -31.6 68.3 117.4 53.2 599 599 A A T 3<5S- 0 0 65 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.287 119.4-110.9 -88.2 10.3 69.8 119.3 50.4 600 600 A G T < 5S+ 0 0 73 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.688 75.9 132.2 69.9 18.9 68.1 117.0 47.9 601 601 A Q < - 0 0 126 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.619 63.4-110.2-101.8 162.0 71.4 115.5 46.8 602 602 A V - 0 0 65 -2,-0.2 -57,-0.1 -3,-0.1 -5,-0.0 -0.775 39.0-121.0 -88.4 127.0 72.4 111.9 46.3 603 603 A P - 0 0 9 0, 0.0 -59,-3.1 0, 0.0 2,-0.3 -0.344 27.7-156.1 -67.2 153.0 74.9 110.8 49.0 604 604 A T E -Z 543 0S 75 -61,-0.2 2,-0.3 -60,-0.1 -61,-0.2 -0.902 9.9-173.2-127.1 156.9 78.2 109.6 47.8 605 605 A Q E -Z 542 0S 9 -63,-2.2 -63,-2.6 -2,-0.3 2,-0.6 -0.974 25.9-138.5-147.0 158.3 80.8 107.3 49.5 606 606 A R E -Z 541 0S 129 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.958 40.4-166.6-118.5 103.8 84.3 106.0 48.9 607 607 A L - 0 0 7 -67,-0.6 2,-0.6 -2,-0.6 -67,-0.3 -0.773 29.1-163.4-108.0 143.9 84.0 102.4 49.9 608 608 A H - 0 0 8 -2,-0.3 -570,-1.8 -69,-0.1 2,-0.4 -0.803 18.9-173.1-118.3 84.8 86.5 99.6 50.7 609 609 A R B > -B 37 0B 18 -2,-0.6 4,-2.2 -572,-0.2 3,-0.4 -0.672 24.4-134.8 -80.0 130.9 84.5 96.4 50.5 610 610 A F H > S+ 0 0 0 -574,-2.3 4,-2.4 -2,-0.4 5,-0.2 0.902 103.5 49.1 -52.3 -49.9 86.5 93.4 51.6 611 611 A W H > S+ 0 0 12 -575,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.850 110.5 51.9 -61.9 -33.8 85.5 91.1 48.7 612 612 A A H > S+ 0 0 8 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.929 109.8 47.3 -68.5 -45.7 86.3 93.9 46.1 613 613 A Q H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.929 115.6 45.8 -61.8 -44.6 89.8 94.5 47.4 614 614 A S H X S+ 0 0 0 -4,-2.4 4,-3.3 -5,-0.2 5,-0.3 0.889 109.0 56.1 -64.8 -40.0 90.5 90.7 47.5 615 615 A E H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.924 110.0 45.8 -57.6 -45.1 89.0 90.3 44.0 616 616 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.935 113.8 48.4 -64.5 -47.1 91.4 93.0 42.7 617 617 A A H >X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.5 0.969 113.5 46.3 -56.4 -56.6 94.4 91.4 44.5 618 618 A V H 3X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.3 -1,-0.2 0.870 108.1 56.7 -55.2 -41.7 93.5 87.9 43.3 619 619 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.3 0.883 106.6 50.2 -60.1 -37.7 93.0 89.1 39.7 620 620 A N H