==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-NOV-09 3KK4 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN BP1543; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS TOHAMA I; . AUTHOR C.CHANG,G.CHHOR,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 500 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 7.2 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 . 4 0.8 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 . 31 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 0 4 0 4 0 0 0 0 0 4 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 4 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 . 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 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 S 0 0 99 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -3.4 0.1 26.0 -3.4 2 -1 A N > - 0 0 39 1,-0.0 4,-2.6 231,-0.0 5,-0.1 -0.936 360.0 -87.8-155.9 178.7 2.1 28.9 -2.1 3 0 A A H > S+ 0 0 16 226,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.839 124.2 55.5 -65.4 -30.9 5.2 30.9 -2.8 4 1 A X H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.943 110.2 44.5 -67.5 -47.4 7.3 28.5 -0.7 5 2 A X H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.925 112.8 53.1 -56.8 -46.8 6.1 25.5 -2.8 6 3 A E H X S+ 0 0 38 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.934 111.8 44.1 -56.8 -48.3 6.7 27.5 -6.0 7 4 A I H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 122.8 35.0 -64.9 -45.2 10.3 28.3 -5.1 8 5 A F H >< S+ 0 0 2 -4,-2.2 3,-0.5 -5,-0.2 -2,-0.2 0.885 114.9 51.1 -82.7 -40.1 11.3 24.9 -3.9 9 6 A I H 3< S+ 0 0 0 -4,-2.9 2,-1.1 -5,-0.3 -3,-0.2 0.843 97.9 71.6 -68.3 -31.7 9.4 22.5 -6.1 10 7 A R T 3< + 0 0 2 -4,-1.2 236,-2.1 -5,-0.5 -1,-0.3 -0.202 65.1 141.4 -86.8 45.4 10.6 24.3 -9.2 11 8 A A < - 0 0 1 -2,-1.1 2,-0.3 -3,-0.5 234,-0.2 -0.523 68.3 -94.9 -68.9 149.9 14.2 23.1 -9.0 12 9 A N >> - 0 0 42 231,-0.3 3,-0.8 -2,-0.2 4,-0.5 -0.576 36.9-134.1 -63.2 127.1 15.8 22.2 -12.4 13 10 A Q G >4 S+ 0 0 108 -2,-0.3 3,-1.2 1,-0.3 4,-0.2 0.908 102.8 50.0 -58.5 -42.6 15.2 18.4 -12.6 14 11 A R G >4 S+ 0 0 164 1,-0.2 3,-1.7 2,-0.2 22,-0.6 0.793 94.4 75.8 -64.6 -25.3 18.7 17.6 -13.8 15 12 A S G <4 S+ 0 0 1 -3,-0.8 22,-2.6 1,-0.3 23,-0.3 0.758 102.6 38.6 -62.1 -25.3 20.1 19.7 -10.9 16 13 A Y G << S+ 0 0 4 -3,-1.2 -1,-0.3 -4,-0.5 2,-0.3 0.238 90.6 107.3-111.8 12.4 19.2 16.9 -8.5 17 14 A S S < S- 0 0 24 -3,-1.7 19,-2.5 -4,-0.2 2,-0.4 -0.651 74.3-118.7 -78.2 146.9 20.1 13.9 -10.7 18 15 A V E -A 35 0A 38 -2,-0.3 2,-0.4 17,-0.3 17,-0.3 -0.748 30.0-173.1 -94.6 132.6 23.3 12.2 -9.6 19 16 A Q E -A 34 0A 69 15,-2.8 15,-1.7 -2,-0.4 2,-0.3 -0.989 15.7-136.5-129.9 131.7 26.3 12.1 -11.9 20 17 A A E -A 33 0A 50 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.646 19.6-177.4 -88.1 138.5 29.5 10.2 -11.2 21 18 A R E -A 32 0A 72 11,-2.7 11,-3.6 -2,-0.3 2,-0.5 -0.979 25.9-122.6-131.2 149.5 33.0 11.5 -11.8 22 19 A S E -A 31 0A 84 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.808 31.2-176.7 -96.2 126.6 36.3 9.8 -11.4 23 20 A L E -A 30 0A 6 7,-3.2 7,-2.8 -2,-0.5 2,-0.9 -0.948 27.9-127.7-126.7 143.6 38.8 11.4 -9.0 24 21 A R E -A 29 0A 154 -2,-0.4 2,-0.7 5,-0.2 3,-0.3 -0.775 30.6-176.6 -93.8 99.4 42.4 10.5 -8.1 25 22 A L E > S-A 28 0A 14 3,-2.6 3,-1.6 -2,-0.9 33,-0.1 -0.872 72.7 -27.0-108.3 111.2 42.4 10.3 -4.2 26 23 A H T 3 S- 0 0 112 -2,-0.7 -1,-0.3 1,-0.3 3,-0.1 0.920 131.3 -45.1 44.3 48.7 45.9 9.6 -2.8 27 24 A G T 3 S+ 0 0 63 -3,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.348 116.1 113.8 88.8 -5.9 46.6 7.8 -6.1 28 25 A V E < -A 25 0A 88 -3,-1.6 -3,-2.6 2,-0.0 2,-0.3 -0.883 65.5-130.8-110.4 119.3 43.4 5.8 -6.4 29 26 A A E +A 24 0A 68 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.510 38.4 179.6 -61.5 120.5 40.8 6.4 -9.1 30 27 A T E -A 23 0A 39 -7,-2.8 -7,-3.2 -2,-0.3 2,-0.7 -0.988 30.2-125.1-132.9 137.2 37.5 6.7 -7.2 31 28 A S E -A 22 0A 82 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.718 23.9-163.5 -83.5 115.2 34.0 7.4 -8.5 32 29 A V E -A 21 0A 3 -11,-3.6 -11,-2.7 -2,-0.7 2,-0.7 -0.907 4.7-157.4 -99.9 127.2 32.5 10.4 -6.7 33 30 A R E +A 20 0A 143 -2,-0.5 2,-0.3 -13,-0.2 -13,-0.2 -0.912 24.3 157.4-114.2 105.8 28.7 10.5 -7.0 34 31 A L E -A 19 0A 0 -15,-1.7 -15,-2.8 -2,-0.7 5,-0.1 -0.969 46.8-100.1-130.5 146.4 27.2 13.9 -6.6 35 32 A E E >> -A 18 0A 0 -2,-0.3 4,-1.4 -17,-0.3 3,-1.3 -0.380 44.3-111.0 -56.8 141.7 23.9 15.7 -7.6 36 33 A Q H 3> S+ 0 0 34 -19,-2.5 4,-2.6 -22,-0.6 5,-0.2 0.832 115.4 58.9 -49.4 -43.0 24.6 17.9 -10.7 37 34 A L H 3> S+ 0 0 4 -22,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.854 103.4 53.4 -61.5 -32.3 24.1 21.2 -8.7 38 35 A F H <> S+ 0 0 0 -3,-1.3 4,-2.9 -23,-0.3 5,-0.2 0.927 108.2 49.2 -65.6 -44.4 26.9 20.2 -6.4 39 36 A W H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.921 111.1 51.3 -57.2 -44.5 29.2 19.6 -9.3 40 37 A D H X S+ 0 0 40 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.898 112.2 45.7 -58.1 -42.6 28.1 23.1 -10.7 41 38 A V H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.913 111.2 51.5 -71.3 -41.6 28.9 24.7 -7.3 42 39 A L H X S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.869 108.5 53.2 -60.0 -37.2 32.3 22.9 -7.0 43 40 A E H X S+ 0 0 76 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.917 109.4 47.7 -66.5 -39.3 33.2 24.1 -10.5 44 41 A E H X S+ 0 0 71 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.901 111.8 50.5 -65.6 -41.6 32.4 27.7 -9.5 45 42 A I H X S+ 0 0 2 -4,-2.4 4,-0.9 2,-0.2 57,-0.3 0.947 112.1 47.1 -62.4 -47.5 34.5 27.4 -6.3 46 43 A A H ><>S+ 0 0 1 -4,-2.7 5,-3.0 1,-0.2 3,-0.8 0.920 111.6 51.3 -59.0 -44.6 37.4 26.0 -8.2 47 44 A A H ><5S+ 0 0 69 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.839 97.9 65.8 -62.9 -36.0 37.1 28.8 -10.9 48 45 A R H 3<5S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.846 112.6 35.0 -52.8 -34.5 37.1 31.5 -8.2 49 46 A D T <<5S- 0 0 7 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.119 117.6-106.6-112.3 19.6 40.7 30.5 -7.4 50 47 A G T < 5S+ 0 0 72 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.779 75.2 135.4 64.4 30.3 41.9 29.6 -10.9 51 48 A X < - 0 0 17 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.813 59.9-117.7-109.1 150.8 41.9 25.9 -10.2 52 49 A R >> - 0 0 170 -2,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.657 33.2-120.1 -77.3 140.4 40.6 22.9 -12.2 53 50 A V H 3> S+ 0 0 23 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.847 112.2 56.2 -54.2 -36.8 37.8 21.2 -10.3 54 51 A T H 3> S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 108.6 46.7 -65.3 -38.6 39.8 17.9 -10.2 55 52 A Q H <> S+ 0 0 53 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.892 109.5 54.6 -69.3 -40.0 42.7 19.6 -8.5 56 53 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.941 111.9 43.8 -53.4 -51.6 40.5 21.4 -6.0 57 54 A I H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.926 113.1 51.0 -65.8 -43.6 39.0 18.1 -4.9 58 55 A E H X S+ 0 0 64 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.899 112.3 47.1 -59.2 -42.0 42.4 16.3 -4.8 59 56 A R H X S+ 0 0 88 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.894 111.3 51.6 -67.0 -41.9 43.8 19.2 -2.6 60 57 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.941 110.0 49.0 -57.7 -49.6 40.7 19.0 -0.3 61 58 A Y H X S+ 0 0 47 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.926 111.0 50.5 -53.5 -49.7 41.2 15.3 0.1 62 59 A D H X S+ 0 0 65 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.903 114.3 43.3 -54.8 -48.6 44.9 15.8 0.9 63 60 A E H X S+ 0 0 29 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.813 110.4 54.7 -73.4 -31.7 44.2 18.4 3.5 64 61 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.4 0.904 107.6 50.9 -67.2 -42.8 41.3 16.6 5.1 65 62 A V H X S+ 0 0 29 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.942 112.5 47.2 -57.0 -46.0 43.5 13.5 5.6 66 63 A Q H < S+ 0 0 140 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.874 116.6 43.6 -62.2 -38.4 46.1 15.7 7.3 67 64 A Y H < S+ 0 0 23 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.900 130.5 20.2 -76.7 -44.4 43.5 17.4 9.5 68 65 A R H < S- 0 0 47 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.564 101.8-115.1-104.8 -11.7 41.4 14.5 10.6 69 66 A G S < S+ 0 0 61 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.058 94.6 29.5 92.3 -22.7 43.9 11.6 10.0 70 67 A E S S- 0 0 129 -6,-0.4 2,-0.3 2,-0.1 -2,-0.3 -0.942 78.6-120.9-154.0 167.8 41.6 10.2 7.3 71 68 A A > + 0 0 14 -2,-0.3 3,-0.6 -3,-0.1 -6,-0.1 -0.550 42.7 171.5-116.6 64.9 39.0 11.4 4.8 72 69 A A T 3 + 0 0 41 -2,-0.3 5,-0.1 1,-0.2 -2,-0.1 -0.343 64.9 16.6 -67.7 153.6 35.9 9.5 5.9 73 70 A N T 3> S+ 0 0 91 1,-0.1 4,-2.6 3,-0.1 -1,-0.2 0.838 77.4 165.2 53.0 44.4 32.5 10.4 4.4 74 71 A F H <> + 0 0 16 -3,-0.6 4,-2.4 1,-0.2 5,-0.1 0.857 68.8 49.3 -68.0 -39.1 34.3 12.3 1.6 75 72 A T H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 113.3 47.9 -64.5 -44.2 31.3 12.6 -0.8 76 73 A S H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.900 109.5 54.8 -58.8 -42.4 29.2 13.9 2.1 77 74 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.919 105.9 51.0 -55.8 -47.9 32.0 16.3 2.9 78 75 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.910 109.1 51.1 -58.8 -42.0 32.0 17.7 -0.6 79 76 A R H X S+ 0 0 22 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.924 110.9 48.1 -59.1 -44.6 28.2 18.3 -0.4 80 77 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.861 105.2 59.7 -69.0 -31.5 28.7 20.1 2.9 81 78 A C H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.928 108.4 45.3 -55.6 -45.4 31.5 22.2 1.2 82 79 A C H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.912 114.2 47.4 -66.5 -43.0 29.0 23.4 -1.3 83 80 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.934 113.2 47.7 -65.5 -45.8 26.3 24.1 1.3 84 81 A R H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.848 107.2 57.6 -63.0 -36.5 28.7 26.0 3.6 85 82 A Y H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.933 112.3 41.0 -56.7 -46.6 30.1 28.1 0.7 86 83 A Q H X S+ 0 0 9 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.907 113.0 53.1 -72.0 -41.8 26.5 29.3 0.0 87 84 A V H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.934 111.1 47.9 -54.6 -48.0 25.7 29.7 3.7 88 85 A L H <>S+ 0 0 3 -4,-2.9 5,-2.1 1,-0.2 6,-1.5 0.858 111.3 49.2 -66.7 -35.1 28.8 31.9 4.1 89 86 A Q H ><5S+ 0 0 15 -4,-1.8 3,-1.1 4,-0.2 7,-0.2 0.918 111.3 50.5 -65.0 -41.9 27.9 33.9 1.0 90 87 A A H 3<5S+ 0 0 18 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.872 110.1 50.1 -60.7 -38.2 24.4 34.4 2.5 91 88 A E T 3<5S- 0 0 108 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.524 114.9-119.0 -77.4 -9.8 25.9 35.5 5.7 92 89 A G T < 5S+ 0 0 63 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.597 84.6 115.5 79.0 13.2 28.1 38.0 3.9 93 90 A R S - 0 0 76 -2,-2.3 3,-1.6 3,-0.2 0, 0.0 -0.943 62.7-150.2-146.1 111.4 31.1 37.6 -6.3 98 95 A A T 3 S+ 0 0 50 -2,-0.4 -2,-0.1 1,-0.3 -1,-0.0 0.343 91.1 62.9 -77.4 8.9 32.6 34.7 -8.3 99 96 A T T 3 S+ 0 0 115 2,-0.1 -1,-0.3 -50,-0.1 0, 0.0 0.525 81.0 90.8-104.2 -10.5 35.7 36.6 -9.4 100 97 A V S < S- 0 0 45 -3,-1.6 -3,-0.2 -5,-0.1 -52,-0.1 -0.796 81.5-123.4 -89.5 115.4 37.1 37.2 -5.9 101 98 A P > - 0 0 45 0, 0.0 3,-1.0 0, 0.0 4,-0.3 -0.279 2.0-141.0 -57.5 139.7 39.5 34.3 -4.8 102 99 A I G > S+ 0 0 0 -57,-0.3 3,-2.0 1,-0.2 -53,-0.1 0.868 107.1 63.3 -64.7 -36.2 38.6 32.5 -1.6 103 100 A R G 3 S+ 0 0 114 1,-0.3 26,-0.3 26,-0.1 -1,-0.2 0.632 91.2 67.3 -62.4 -13.6 42.4 32.5 -1.1 104 101 A S G < S+ 0 0 79 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.684 89.2 91.0 -73.7 -20.2 42.1 36.3 -0.9 105 102 A L S < S- 0 0 35 -3,-2.0 2,-0.9 -4,-0.3 24,-0.2 -0.227 82.2-118.4 -84.1 164.5 40.1 36.1 2.3 106 103 A D >> - 0 0 93 1,-0.2 4,-2.2 23,-0.0 3,-0.6 -0.885 25.8-161.9 -97.8 100.3 41.0 36.2 6.0 107 104 A A H 3> S+ 0 0 10 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.820 87.4 58.8 -56.3 -34.9 39.8 32.7 7.0 108 105 A Q H 3> S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 108.7 45.1 -61.4 -42.3 39.8 33.7 10.7 109 106 A A H <4 S+ 0 0 39 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.879 111.0 54.8 -65.4 -38.9 37.4 36.6 9.9 110 107 A V H < S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.909 117.6 33.5 -60.6 -42.7 35.3 34.2 7.8 111 108 A L H >< S+ 0 0 3 -4,-2.3 3,-1.7 -5,-0.2 -1,-0.2 0.642 86.8 124.1 -91.2 -16.8 34.8 31.6 10.6 112 109 A R T 3< S- 0 0 85 -4,-1.5 -3,-0.0 1,-0.3 -4,-0.0 -0.218 85.9 -7.6 -57.2 118.3 34.7 34.0 13.6 113 110 A G T 3 S+ 0 0 9 1,-0.2 -1,-0.3 163,-0.1 3,-0.1 0.668 91.4 154.8 74.7 17.0 31.6 33.6 15.8 114 111 A L < - 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0 0 101 1,-0.2 3,-1.8 2,-0.1 -1,-0.0 -0.557 67.4-156.9 -70.0 109.6 5.0 57.3 36.9 476 95 D A T 3 S+ 0 0 48 -2,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.497 81.7 83.7 -70.8 -3.7 3.0 54.3 38.0 477 96 D T T 3 S+ 0 0 112 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.651 78.9 79.9 -69.9 -11.1 0.2 56.5 39.4 478 97 D V S < S- 0 0 42 -3,-1.8 -1,-0.1 -5,-0.1 2,-0.1 -0.867 85.8-138.2 -95.0 108.3 -0.9 56.5 35.7 479 98 D P > - 0 0 49 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.394 10.9-129.7 -63.4 145.0 -2.8 53.2 35.1 480 99 D I G > S+ 0 0 0 1,-0.3 3,-1.7 -57,-0.2 -221,-0.1 0.874 109.0 61.1 -61.5 -35.5 -2.0 51.4 31.8 481 100 D R G 3 S+ 0 0 110 1,-0.3 -226,-0.4 -226,-0.1 -1,-0.3 0.646 96.4 60.5 -66.4 -15.6 -5.8 51.2 31.2 482 101 D S G < S+ 0 0 76 -3,-1.4 -1,-0.3 -228,-0.1 -2,-0.2 0.552 90.2 95.1 -87.1 -7.6 -6.0 55.0 31.2 483 102 D L S < S- 0 0 31 -3,-1.7 2,-0.8 -4,-0.3 -228,-0.1 -0.385 82.9-114.2 -82.2 160.2 -3.6 55.3 28.3 484 103 D D >> - 0 0 92 1,-0.2 4,-2.0 -2,-0.1 3,-0.6 -0.856 26.2-157.6 -92.2 108.3 -4.5 55.6 24.6 485 104 D A H 3> S+ 0 0 10 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.855 88.4 53.2 -61.0 -39.4 -3.2 52.4 23.1 486 105 D Q H 3> S+ 0 0 142 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.807 110.9 47.9 -69.1 -25.7 -2.8 53.6 19.5 487 106 D A H <4 S+ 0 0 35 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.854 111.5 51.3 -74.3 -36.2 -0.7 56.6 20.8 488 107 D V H < S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.897 122.6 30.0 -65.2 -40.8 1.4 54.2 22.8 489 108 D L H >< S+ 0 0 1 -4,-2.3 3,-1.8 -5,-0.2 -2,-0.2 0.735 88.5 115.8 -94.8 -25.9 2.1 51.9 19.9 490 109 D R T 3< S+ 0 0 172 -4,-1.7 -4,-0.0 1,-0.2 -3,-0.0 -0.146 82.9 12.4 -58.4 137.4 2.0 54.1 16.8 491 110 D G T 3 S+ 0 0 69 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.427 90.0 139.3 81.5 -1.7 5.2 54.5 14.9 492 111 D L < - 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