==== 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 17-JUL-00 1FBW . 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) . 21677.0 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 . 83 13.2 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 . 28 4.5 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 . 190 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 0 1 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 . 13 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 0 123 0, 0.0 248,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 138.1 108.7 74.2 42.2 2 2 A S - 0 0 35 1,-0.1 3,-0.1 67,-0.1 243,-0.0 -0.493 360.0-110.8 -75.4 142.5 106.3 76.9 41.2 3 3 A S - 0 0 64 -2,-0.1 -1,-0.1 1,-0.1 245,-0.0 -0.301 46.6 -79.4 -66.9 157.6 106.5 78.3 37.6 4 4 A P - 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.269 45.4-152.9 -61.0 140.4 107.8 81.9 37.0 5 5 A A - 0 0 14 -3,-0.1 2,-0.4 622,-0.1 620,-0.2 -0.900 29.9 -94.1-118.1 147.4 105.3 84.7 37.5 6 6 A N > - 0 0 19 618,-2.7 4,-2.1 -2,-0.3 3,-0.2 -0.422 35.1-146.2 -58.7 112.8 105.2 88.2 35.9 7 7 A K H > S+ 0 0 162 -2,-0.4 4,-2.0 621,-0.3 -1,-0.2 0.777 90.8 56.9 -53.6 -38.4 107.1 90.4 38.5 8 8 A V H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.965 114.1 36.5 -60.2 -53.1 105.1 93.6 37.9 9 9 A Y H > S+ 0 0 9 -3,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.793 114.2 56.4 -74.2 -28.4 101.7 92.0 38.7 10 10 A Q H X S+ 0 0 39 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.904 106.5 51.2 -67.4 -40.3 103.1 89.8 41.4 11 11 A D H X S+ 0 0 91 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.846 108.3 52.2 -63.1 -35.8 104.4 93.0 43.1 12 12 A R H X S+ 0 0 31 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.887 108.8 49.4 -68.8 -38.6 100.9 94.5 42.8 13 13 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.950 112.2 48.9 -62.7 -49.0 99.4 91.5 44.5 14 14 A E H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.880 110.9 49.6 -58.3 -40.3 101.9 91.7 47.3 15 15 A S H X S+ 0 0 38 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.918 113.0 46.4 -65.3 -45.1 101.3 95.4 47.8 16 16 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.914 109.8 54.6 -64.1 -41.0 97.5 94.9 48.0 17 17 A Y H X S+ 0 0 27 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.926 108.9 48.6 -59.7 -42.8 98.0 92.0 50.4 18 18 A S H X S+ 0 0 76 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.885 111.6 48.9 -64.0 -40.4 100.0 94.2 52.7 19 19 A K H < S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.7 48.2 -67.4 -38.2 97.4 97.0 52.6 20 20 A I H < S+ 0 0 0 -4,-2.6 7,-0.3 1,-0.2 -2,-0.2 0.876 117.4 40.5 -70.3 -36.3 94.6 94.5 53.3 21 21 A K H < S+ 0 0 65 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.590 84.6 119.3 -88.9 -10.8 96.5 92.9 56.3 22 22 A D >X - 0 0 66 -4,-1.2 3,-2.4 -5,-0.2 4,-0.6 -0.410 59.3-147.4 -60.9 114.6 97.8 96.2 57.6 23 23 A P G >4 S+ 0 0 123 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.796 97.2 61.5 -51.2 -36.8 96.4 96.5 61.2 24 24 A A G 34 S+ 0 0 84 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.645 96.7 59.7 -67.3 -18.7 96.3 100.3 60.7 25 25 A N G <4 S- 0 0 12 -3,-2.4 -1,-0.2 -6,-0.1 -3,-0.1 0.700 96.1-138.6 -84.0 -23.5 93.8 100.0 57.8 26 26 A G << + 0 0 28 -4,-0.6 9,-0.1 -3,-0.6 -2,-0.1 0.775 57.2 134.4 74.0 31.2 91.1 98.2 59.8 27 27 A Y + 0 0 2 -5,-0.4 8,-2.7 -7,-0.3 2,-0.3 0.733 68.6 55.8 -79.1 -22.0 89.8 95.5 57.4 28 28 A F B S-A 34 0A 41 6,-0.2 2,-0.1 -6,-0.2 -2,-0.0 -0.838 78.4-128.9-116.3 150.5 89.9 93.0 60.3 29 29 A S > - 0 0 10 4,-2.3 3,-1.8 -2,-0.3 -2,-0.1 -0.263 41.5 -93.3 -82.1 175.9 88.3 92.9 63.8 30 30 A E T 3 S+ 0 0 161 1,-0.3 -1,-0.1 2,-0.1 129,-0.0 0.828 127.1 54.5 -62.1 -31.2 90.2 92.2 67.0 31 31 A Q T 3 S- 0 0 51 2,-0.1 -1,-0.3 127,-0.1 -3,-0.0 0.364 123.3-103.2 -85.0 6.4 89.3 88.5 66.7 32 32 A G S < S+ 0 0 20 -3,-1.8 -2,-0.1 1,-0.3 51,-0.1 0.693 75.2 138.9 81.7 20.8 90.8 88.3 63.1 33 33 A I - 0 0 0 50,-0.0 -4,-2.3 125,-0.0 -1,-0.3 -0.840 52.7-123.7-100.5 128.6 87.5 88.3 61.2 34 34 A P B -A 28 0A 0 0, 0.0 19,-0.2 0, 0.0 -6,-0.2 -0.505 23.5-134.8 -72.6 139.1 87.3 90.5 58.0 35 35 A Y - 0 0 21 -8,-2.7 575,-0.3 -2,-0.2 17,-0.2 -0.468 20.5-114.8 -85.9 163.3 84.5 93.1 57.9 36 36 A H S S- 0 0 4 15,-2.1 574,-2.3 13,-0.8 575,-0.4 0.914 98.2 -7.9 -61.9 -42.7 82.3 93.6 54.9 37 37 A S B -B 609 0B 1 12,-1.8 -1,-0.2 572,-0.3 572,-0.2 -0.982 61.1-122.7-152.1 154.0 83.8 97.1 54.6 38 38 A I S S+ 0 0 30 570,-1.7 2,-0.1 -2,-0.3 -1,-0.1 0.959 99.0 73.6 -60.3 -47.0 86.2 99.4 56.5 39 39 A E S S- 0 0 31 569,-0.2 -2,-0.1 1,-0.1 -3,-0.0 -0.417 70.7-155.8 -71.1 137.4 83.4 102.0 56.5 40 40 A T S S+ 0 0 25 -2,-0.1 9,-2.4 9,-0.1 2,-1.8 0.792 75.3 82.8 -85.1 -32.9 80.5 101.4 58.9 41 41 A L + 0 0 2 7,-0.2 2,-0.4 8,-0.1 -1,-0.1 -0.587 68.8 137.5 -74.7 91.4 77.7 103.4 57.2 42 42 A M + 0 0 0 -2,-1.8 2,-0.4 5,-0.2 8,-0.1 -0.947 24.0 161.2-151.2 114.3 77.0 100.6 54.7 43 43 A V + 0 0 4 -2,-0.4 4,-0.2 4,-0.1 503,-0.1 -0.981 35.3 101.7-135.8 122.3 73.7 99.2 53.4 44 44 A E S S- 0 0 64 2,-2.3 144,-0.2 -2,-0.4 3,-0.2 0.313 105.2 -15.9-164.5 -37.3 73.3 97.1 50.2 45 45 A A S S+ 0 0 44 1,-1.4 2,-0.1 143,-0.1 -2,-0.0 0.130 142.1 38.7-143.4 -71.0 73.1 93.3 51.1 46 46 A P S S- 0 0 4 0, 0.0 -2,-2.3 0, 0.0 -1,-1.4 -0.527 83.3-141.1 -76.0 167.6 74.2 93.4 54.7 47 47 A D S S+ 0 0 1 -4,-0.2 2,-0.3 -3,-0.2 -5,-0.2 0.232 79.7 47.4-114.4 15.5 72.9 96.6 56.5 48 48 A Y S > S- 0 0 21 -7,-0.1 3,-1.0 1,-0.1 -12,-0.2 -0.973 74.2-135.1-153.3 136.1 76.0 97.5 58.6 49 49 A G T 3 S+ 0 0 0 -9,-2.4 -12,-1.8 -2,-0.3 -13,-0.8 0.780 98.3 59.0 -67.4 -28.2 79.6 97.7 57.5 50 50 A H T 3 S+ 0 0 32 -10,-0.3 109,-0.6 -15,-0.2 108,-0.5 0.003 79.8 97.8 -94.8 25.1 81.0 95.8 60.4 51 51 A V < - 0 0 0 -3,-1.0 -15,-2.1 106,-0.2 2,-0.3 -0.529 67.9-137.3 -91.2 168.0 79.2 92.5 60.1 52 52 A T E -C 156 0C 0 104,-2.2 104,-2.3 -17,-0.2 2,-0.3 -0.866 14.9-155.0-120.0 162.9 81.1 89.7 58.3 53 53 A T E > -C 155 0C 5 -2,-0.3 4,-1.9 -19,-0.2 102,-0.3 -0.910 31.7-115.1-133.7 161.4 79.6 87.4 55.6 54 54 A S H > S+ 0 0 1 100,-1.9 4,-2.0 -2,-0.3 5,-0.2 0.797 119.3 61.4 -65.8 -24.3 80.4 83.9 54.4 55 55 A Q H > S+ 0 0 37 99,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.950 103.4 47.2 -63.2 -49.2 81.2 85.7 51.1 56 56 A A H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.893 111.0 51.5 -60.1 -43.8 83.9 87.8 52.8 57 57 A M H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.888 107.6 52.2 -62.7 -38.1 85.5 84.7 54.5 58 58 A S H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.817 111.2 47.5 -68.8 -29.4 85.6 82.8 51.2 59 59 A Y H X S+ 0 0 2 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.804 107.1 56.3 -77.0 -30.7 87.5 85.8 49.6 60 60 A Y H X S+ 0 0 11 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.896 108.2 49.3 -66.4 -37.4 89.8 85.8 52.7 61 61 A M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.920 110.6 49.2 -65.9 -44.8 90.6 82.2 51.8 62 62 A W H X S+ 0 0 4 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.904 111.0 49.8 -61.6 -45.4 91.2 83.0 48.2 63 63 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.920 112.6 46.4 -60.7 -47.4 93.5 85.9 49.1 64 64 A E H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 13,-0.3 0.817 108.9 54.8 -66.2 -34.2 95.6 83.8 51.5 65 65 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.934 110.0 47.5 -63.0 -46.6 95.9 80.9 49.1 66 66 A M H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.828 109.2 53.2 -64.5 -36.7 97.3 83.4 46.5 67 67 A H H X S+ 0 0 34 -4,-1.8 4,-2.5 1,-0.2 6,-0.4 0.882 107.0 52.6 -65.8 -37.6 99.7 84.8 49.1 68 68 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.857 104.0 57.8 -63.7 -36.7 101.0 81.2 49.8 69 69 A R H < S+ 0 0 16 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.859 117.3 31.7 -60.4 -39.9 101.6 80.8 46.1 70 70 A F H < S+ 0 0 26 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.698 129.5 35.0 -93.1 -24.4 104.0 83.8 46.0 71 71 A S H < S- 0 0 55 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.629 92.0-129.9-104.7 -16.8 105.5 83.6 49.5 72 72 A G S < S+ 0 0 10 -4,-2.2 2,-0.6 -5,-0.3 -4,-0.2 0.447 74.6 117.3 78.1 1.2 105.6 79.8 50.1 73 73 A D + 0 0 72 -6,-0.4 3,-0.2 1,-0.1 -1,-0.2 -0.895 31.2 166.7-107.5 112.6 103.9 80.5 53.5 74 74 A F >> + 0 0 11 -2,-0.6 4,-2.1 1,-0.1 3,-0.5 0.300 51.1 100.3-106.3 6.8 100.4 78.9 53.8 75 75 A T H 3> S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.845 82.2 56.8 -61.1 -30.0 100.0 79.4 57.6 76 76 A G H 3> S+ 0 0 13 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.831 105.7 49.4 -67.9 -35.5 97.7 82.4 56.6 77 77 A F H <> S+ 0 0 0 -3,-0.5 4,-1.4 -13,-0.3 -2,-0.2 0.905 110.1 49.9 -69.2 -43.5 95.5 80.1 54.6 78 78 A D H X S+ 0 0 52 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.877 109.4 53.1 -62.9 -35.4 95.2 77.6 57.4 79 79 A K H X S+ 0 0 112 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.857 101.8 58.1 -69.0 -34.9 94.3 80.5 59.8 80 80 A S H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.890 110.5 44.0 -62.6 -35.8 91.5 81.6 57.5 81 81 A W H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.844 111.0 54.1 -75.2 -34.9 90.0 78.2 57.8 82 82 A S H X S+ 0 0 63 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.948 110.6 46.1 -64.6 -43.5 90.5 78.1 61.5 83 83 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.4 0.904 111.6 52.9 -65.3 -40.7 88.7 81.4 61.9 84 84 A T H X>S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 5,-1.2 0.943 111.6 44.2 -59.8 -49.6 85.9 80.2 59.7 85 85 A E H <5S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 116.5 47.3 -65.3 -36.8 85.3 77.0 61.7 86 86 A Q H <5S+ 0 0 107 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.917 129.3 17.5 -72.0 -40.3 85.5 78.8 65.0 87 87 A Y H <5S+ 0 0 41 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.649 128.1 34.1-110.6 -25.3 83.2 81.7 64.1 88 88 A L T <5S+ 0 0 0 -4,-2.8 65,-2.8 -5,-0.4 -3,-0.2 0.590 101.1 70.1-110.3 -15.5 81.0 81.1 61.1 89 89 A I S > - 0 0 32 -5,-0.2 4,-1.5 1,-0.1 3,-0.7 -0.118 34.2 -86.5 -75.1-177.6 79.6 74.9 66.9 92 92 A E T 34 S+ 0 0 123 1,-0.2 5,-0.3 2,-0.2 -1,-0.1 0.732 131.5 53.4 -65.3 -24.6 78.0 72.1 69.0 93 93 A K T 34 S+ 0 0 106 1,-0.1 -1,-0.2 3,-0.1 0, 0.0 0.706 110.3 48.9 -78.5 -24.1 76.8 74.8 71.5 94 94 A D T <4 S+ 0 0 12 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.1 0.710 125.7 23.2 -87.6 -29.3 75.1 76.7 68.6 95 95 A Q S < S- 0 0 3 -4,-1.5 -1,-0.2 208,-0.1 5,-0.2 -0.546 90.9-145.9-135.7 68.4 73.3 73.7 66.9 96 96 A P >> - 0 0 25 0, 0.0 4,-2.1 0, 0.0 3,-1.5 -0.059 7.0-141.9 -40.9 121.8 72.9 71.2 69.8 97 97 A N H 3> S+ 0 0 62 -5,-0.3 4,-2.6 1,-0.3 5,-0.1 0.725 98.9 71.6 -61.9 -21.2 73.2 67.7 68.5 98 98 A T H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.2 211,-0.0 0.863 109.7 33.4 -61.4 -35.4 70.5 66.7 71.1 99 99 A S H X4 S+ 0 0 2 -3,-1.5 3,-1.3 2,-0.1 -2,-0.2 0.873 117.9 52.3 -85.5 -41.7 68.1 68.6 68.8 100 100 A M H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.848 102.7 58.9 -64.1 -35.4 69.8 67.8 65.4 101 101 A S T 3< S+ 0 0 66 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.560 95.6 65.2 -70.8 -9.7 69.7 64.0 66.1 102 102 A R T < S+ 0 0 164 -3,-1.3 209,-0.4 -5,-0.1 -1,-0.3 0.355 74.7 129.7 -92.1 6.6 65.9 64.2 66.4 103 103 A Y < - 0 0 21 -3,-1.6 2,-0.7 207,-0.2 209,-0.1 -0.363 52.6-144.9 -61.6 134.0 65.7 65.2 62.7 104 104 A D > - 0 0 84 207,-0.5 3,-1.8 3,-0.4 30,-0.1 -0.896 8.1-164.5-107.6 106.1 63.2 63.1 60.7 105 105 A A T 3 S+ 0 0 23 -2,-0.7 29,-2.8 1,-0.3 -1,-0.1 0.681 89.3 58.7 -64.3 -17.0 64.5 62.5 57.2 106 106 A N T 3 S+ 0 0 105 1,-0.3 -1,-0.3 27,-0.2 25,-0.1 0.556 120.5 25.8 -89.2 -7.1 61.0 61.4 56.1 107 107 A K S < S+ 0 0 96 -3,-1.8 -3,-0.4 27,-0.1 -1,-0.3 -0.513 73.0 174.6-152.4 71.3 59.5 64.7 57.1 108 108 A P - 0 0 1 0, 0.0 205,-1.3 0, 0.0 2,-0.3 0.785 64.2 -21.6 -51.0 -37.6 62.3 67.3 56.9 109 109 A A - 0 0 10 203,-0.2 2,-0.4 166,-0.1 203,-0.0 -0.938 68.2 -92.8-162.3 178.5 60.2 70.3 57.7 110 110 A T - 0 0 48 -2,-0.3 17,-0.1 18,-0.0 2,-0.1 -0.905 44.3-112.9-108.3 135.8 56.7 71.8 57.7 111 111 A Y B +E 126 0D 23 15,-0.5 15,-3.0 -2,-0.4 18,-0.1 -0.357 36.5 169.4 -69.5 143.5 55.4 73.7 54.7 112 112 A A - 0 0 9 13,-0.2 13,-0.2 -2,-0.1 11,-0.1 -0.953 32.8-115.5-149.4 136.7 54.6 77.4 54.8 113 113 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 268,-0.2 -0.345 19.2-131.2 -75.5 157.9 53.8 79.6 51.8 114 114 A E - 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0 0 6 4,-2.6 3,-2.6 -2,-0.3 -402,-0.1 -0.460 46.2 -96.2 -80.1 161.3 65.7 95.9 70.1 566 566 A P T 3 S+ 0 0 38 0, 0.0 -403,-0.1 0, 0.0 -1,-0.1 0.817 125.9 54.0 -50.4 -35.6 68.5 95.3 72.6 567 567 A N T 3 S- 0 0 71 -405,-0.3 -404,-0.1 2,-0.1 14,-0.0 0.364 125.6 -99.7 -81.3 3.8 69.4 99.0 72.8 568 568 A G < + 0 0 38 -3,-2.6 -1,-0.1 1,-0.3 12,-0.0 0.252 69.4 151.7 99.8 -13.4 65.8 99.9 73.6 569 569 A D - 0 0 24 -5,-0.1 -4,-2.6 1,-0.1 2,-0.3 -0.303 47.3-122.5 -53.8 129.3 64.6 101.0 70.2 570 570 A V E -M 564 0I 64 -6,-0.2 2,-0.6 9,-0.2 -6,-0.2 -0.588 18.1-153.6 -81.8 128.2 60.8 100.3 70.0 571 571 A I E +M 563 0I 0 -8,-2.8 -8,-1.9 -2,-0.3 2,-0.3 -0.929 41.0 123.8-101.7 120.0 59.6 98.0 67.2 572 572 A K > - 0 0 107 -2,-0.6 3,-1.9 -10,-0.2 -17,-0.1 -0.957 68.3 -59.2-165.0 165.2 56.0 98.7 66.3 573 573 A S T 3 S+ 0 0 58 -12,-0.4 -17,-0.1 -2,-0.3 -19,-0.0 -0.208 118.6 35.6 -53.7 132.1 53.9 99.7 63.3 574 574 A G T 3 S+ 0 0 36 -19,-0.5 -1,-0.2 1,-0.3 -18,-0.1 0.037 80.5 136.1 111.6 -25.6 55.1 103.0 61.8 575 575 A V < - 0 0 10 -3,-1.9 -20,-2.7 -20,-0.2 -1,-0.3 -0.132 41.8-143.9 -59.4 149.6 58.9 102.7 62.4 576 576 A K B >> -B 554 0U 74 -22,-0.2 4,-0.7 1,-0.0 3,-0.7 -0.611 35.3 -92.7-104.1 171.9 61.3 103.6 59.6 577 577 A F G >4 S+ 0 0 0 -24,-1.6 3,-0.9 -28,-0.5 -26,-0.1 0.916 126.7 48.2 -50.8 -48.9 64.7 101.9 58.9 578 578 A I G >4 S+ 0 0 10 -28,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.761 97.6 71.4 -67.7 -25.2 66.6 104.3 61.2 579 579 A D G <4 S+ 0 0 67 -3,-0.7 3,-0.4 1,-0.3 -1,-0.2 0.754 102.9 39.7 -64.5 -30.0 64.1 103.9 64.1 580 580 A I G << S+ 0 0 2 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.197 120.6 46.3-103.7 13.0 65.2 100.3 65.0 581 581 A R X + 0 0 5 -3,-1.3 3,-2.0 -4,-0.1 4,-0.2 -0.299 65.0 151.7-144.4 47.1 68.9 101.0 64.3 582 582 A S G > + 0 0 38 -3,-0.4 3,-1.7 1,-0.3 4,-0.2 0.705 60.5 77.4 -60.2 -18.3 69.3 104.4 66.2 583 583 A K G > S+ 0 0 69 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.756 77.8 75.4 -62.3 -23.4 73.0 103.6 66.9 584 584 A Y G X S+ 0 0 1 -3,-2.0 3,-1.7 1,-0.3 -1,-0.3 0.749 78.6 72.4 -60.2 -25.8 73.6 104.6 63.3 585 585 A K G < S+ 0 0 117 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.687 92.5 56.8 -65.3 -15.4 73.2 108.3 64.3 586 586 A Q G < S+ 0 0 154 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.472 79.0 119.6 -90.7 -7.6 76.6 108.0 66.1 587 587 A D S X S- 0 0 18 -3,-1.7 3,-1.3 -4,-0.2 4,-0.4 -0.345 72.7-126.5 -58.7 139.0 78.3 106.9 62.9 588 588 A P T 3 S+ 0 0 121 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.803 111.0 46.6 -57.6 -31.0 81.1 109.4 61.9 589 589 A E T 3> S+ 0 0 56 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.482 86.6 94.4 -89.5 -5.3 79.5 109.7 58.4 590 590 A W H <> S+ 0 0 16 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.912 84.4 45.3 -53.0 -55.9 75.9 110.2 59.6 591 591 A Q H > S+ 0 0 139 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.869 113.3 51.8 -57.6 -41.2 75.8 114.0 59.6 592 592 A T H > S+ 0 0 102 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.932 111.4 47.2 -61.0 -45.9 77.4 114.2 56.2 593 593 A M H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.952 114.7 45.2 -60.7 -52.2 74.9 111.7 54.8 594 594 A V H X S+ 0 0 27 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.867 108.2 57.1 -62.5 -38.0 71.9 113.5 56.3 595 595 A A H X S+ 0 0 62 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.907 108.1 48.3 -61.7 -40.2 73.2 117.0 55.2 596 596 A A H <>S+ 0 0 17 -4,-1.8 5,-2.8 2,-0.2 -1,-0.2 0.918 111.5 48.9 -66.1 -43.7 73.2 115.7 51.6 597 597 A L H ><5S+ 0 0 34 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.918 109.2 53.5 -62.2 -41.9 69.7 114.3 51.8 598 598 A Q H 3<5S+ 0 0 146 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.864 108.2 49.6 -59.1 -40.7 68.4 117.6 53.3 599 599 A A T 3<5S- 0 0 68 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.312 119.0-110.1 -82.3 5.9 69.8 119.6 50.4 600 600 A G T < 5S+ 0 0 72 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.787 75.5 131.3 70.4 27.0 68.2 117.2 47.8 601 601 A Q < - 0 0 129 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.752 64.1-109.7-108.5 156.5 71.6 115.7 46.7 602 602 A V - 0 0 70 -2,-0.3 -57,-0.1 -3,-0.1 2,-0.1 -0.739 39.6-121.2 -82.2 128.1 72.5 112.0 46.3 603 603 A P - 0 0 9 0, 0.0 -59,-3.1 0, 0.0 2,-0.3 -0.411 28.5-155.9 -67.5 152.6 75.0 111.1 49.1 604 604 A T E -A 543 0T 74 -61,-0.2 2,-0.3 -60,-0.1 -61,-0.2 -0.875 10.3-173.3-126.2 157.0 78.3 109.8 47.9 605 605 A Q E -A 542 0T 9 -63,-2.3 -63,-3.0 -2,-0.3 2,-0.6 -0.974 25.7-137.7-145.8 159.5 80.9 107.5 49.6 606 606 A R E -A 541 0T 121 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.964 40.3-165.5-118.3 104.4 84.5 106.2 48.9 607 607 A L - 0 0 7 -67,-0.7 2,-0.6 -2,-0.6 -67,-0.3 -0.756 28.5-161.3-107.0 144.5 84.2 102.6 50.0 608 608 A H - 0 0 7 -2,-0.3 -570,-1.7 -69,-0.1 2,-0.4 -0.806 19.9-173.1-118.7 81.4 86.7 99.8 50.8 609 609 A R B > -B 37 0B 17 -2,-0.6 4,-2.4 -572,-0.2 -572,-0.3 -0.695 23.4-137.5 -76.9 131.6 84.7 96.6 50.5 610 610 A F H > S+ 0 0 0 -574,-2.3 4,-2.2 -2,-0.4 5,-0.2 0.868 103.3 49.2 -57.0 -45.0 86.7 93.5 51.6 611 611 A W H > S+ 0 0 11 -575,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.897 111.5 49.8 -63.8 -38.7 85.5 91.3 48.7 612 612 A A H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.891 111.7 47.2 -66.9 -43.5 86.3 94.1 46.1 613 613 A Q H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.884 115.1 45.7 -66.0 -40.6 89.9 94.6 47.5 614 614 A S H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.888 109.4 56.7 -67.6 -37.7 90.6 90.9 47.6 615 615 A E H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.905 109.1 45.4 -58.4 -46.4 89.1 90.6 44.1 616 616 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.882 113.2 50.4 -66.5 -39.2 91.6 93.1 42.7 617 617 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 3,-0.3 0.963 113.8 43.9 -63.7 -51.1 94.5 91.5 44.6 618 618 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.886 108.6 58.3 -61.2 -40.6 93.6 88.0 43.2 619 619 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.870 107.3 48.4 -58.1 -38.0 93.0 89.4 39.7 620 620 A N H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.3 -1,-0.2 0.874 112.1 48.4 -69.3 -40.1 96.6 90.7 39.7 621 621 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.863 108.8 52.5 -67.9 -38.6 98.0 87.3 40.9 622 622 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.908 111.8 47.2 -62.1 -43.7 96.0 85.4 38.3 623 623 A Y H X S+ 0 0 6 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.925 109.4 53.0 -66.0 -43.3 97.5 87.6 35.6 624 624 A A H < S+ 0 0 0 -4,-2.3 -618,-2.7 1,-0.2 -1,-0.2 0.855 115.3 41.8 -59.3 -37.8 101.1 87.3 37.0 625 625 A I H < S+ 0 0 29 -4,-1.8 -1,-0.2 -620,-0.2 -2,-0.2 0.858 119.0 41.6 -79.2 -39.1 100.8 83.5 36.9 626 626 A L H < S+ 0 0 25 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.704 124.8 33.2 -84.0 -22.0 99.0 83.1 33.5 627 627 A F < + 0 0 43 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.518 67.8 164.1-133.5 67.7 101.1 85.7 31.6 628 628 A P 0 0 47 0, 0.0 -621,-0.3 0, 0.0 -1,-0.1 0.605 360.0 360.0 -61.6 -16.1 104.6 85.6 33.1 629 629 A D 0 0 204 -623,-0.1 -623,-0.1 -625,-0.1 0, 0.0 -0.792 360.0 360.0 -98.7 360.0 106.3 87.5 30.2