==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 09-SEP-11 3TRB . COMPND 2 MOLECULE: VIRULENCE-ASSOCIATED PROTEIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 184 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 74.5 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 . 0 0.0 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 . 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 . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.3 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 0 0 0 4 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 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 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 6 A X 0 0 198 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.6 25.0 32.8 19.3 2 7 A R - 0 0 138 1,-0.1 2,-0.2 74,-0.0 74,-0.1 -0.157 360.0 -85.7 -58.7 156.7 25.1 30.3 22.2 3 8 A P - 0 0 23 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.493 39.2-151.8 -64.0 132.3 22.9 27.2 22.1 4 9 A I - 0 0 46 -2,-0.2 68,-0.2 64,-0.2 71,-0.1 -0.921 9.2-143.4-109.9 106.3 19.4 27.8 23.4 5 10 A H >> - 0 0 16 -2,-0.7 3,-2.2 1,-0.1 4,-0.9 -0.462 19.3-123.5 -66.5 137.2 17.8 24.7 24.9 6 11 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 3,-0.2 0.808 110.3 67.4 -50.8 -33.3 14.1 24.5 24.1 7 12 A G H 3> S+ 0 0 0 32,-0.4 4,-2.3 1,-0.2 5,-0.1 0.805 94.5 57.5 -58.8 -31.3 13.5 24.3 27.9 8 13 A E H <> S+ 0 0 82 -3,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.933 110.6 41.6 -61.9 -47.9 14.7 27.9 28.1 9 14 A I H X S+ 0 0 48 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.867 113.1 53.7 -69.4 -38.1 12.0 29.0 25.7 10 15 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.912 107.0 52.4 -61.3 -43.1 9.4 26.8 27.3 11 16 A A H X S+ 0 0 45 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.917 107.7 51.0 -59.5 -45.8 10.2 28.3 30.7 12 17 A E H X S+ 0 0 150 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.894 110.8 49.4 -58.8 -42.1 9.7 31.9 29.3 13 18 A E H X S+ 0 0 84 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.917 109.6 50.4 -64.7 -45.3 6.4 30.8 27.8 14 19 A L H < S+ 0 0 7 -4,-2.5 6,-2.3 1,-0.2 3,-0.3 0.915 107.3 55.3 -58.1 -44.3 5.2 29.3 31.1 15 20 A G H X S+ 0 0 41 -4,-2.4 4,-1.9 4,-0.3 -1,-0.2 0.880 106.2 50.7 -56.3 -41.5 6.2 32.5 32.9 16 21 A F H < S+ 0 0 166 -4,-1.6 2,-1.7 1,-0.2 -1,-0.2 0.824 97.2 71.3 -67.7 -32.6 4.0 34.6 30.6 17 22 A L T < S- 0 0 23 -4,-1.5 -1,-0.2 -3,-0.3 3,-0.1 -0.424 136.2 -66.9 -85.6 63.1 1.0 32.3 31.2 18 23 A D T 4 S- 0 0 137 -2,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 90.8 -63.8 57.1 43.6 0.3 33.4 34.8 19 24 A K S < S- 0 0 182 -4,-1.9 -4,-0.3 -5,-0.2 -1,-0.2 0.927 72.9-157.9 47.8 57.2 3.6 31.9 36.1 20 25 A X - 0 0 17 -6,-2.3 -1,-0.2 -7,-0.2 -3,-0.1 -0.458 7.4-134.4 -69.0 133.4 2.6 28.3 35.2 21 26 A S > - 0 0 52 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.269 20.4-108.9 -83.2 170.7 4.5 25.6 37.2 22 27 A A H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.893 121.1 51.6 -64.7 -40.9 6.1 22.4 35.9 23 28 A N H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 107.9 51.6 -61.4 -44.4 3.3 20.4 37.6 24 29 A Q H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.931 113.0 44.5 -58.8 -48.5 0.6 22.5 36.0 25 30 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.918 110.2 55.3 -62.4 -44.8 2.1 22.0 32.5 26 31 A A H X>S+ 0 0 3 -4,-2.5 5,-2.2 1,-0.2 4,-1.3 0.889 109.6 46.8 -56.7 -42.6 2.7 18.3 33.2 27 32 A K H <5S+ 0 0 178 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.912 112.1 50.5 -65.0 -43.7 -1.0 17.8 34.0 28 33 A H H <5S+ 0 0 56 -4,-2.1 154,-1.2 1,-0.2 -2,-0.2 0.877 118.5 38.0 -60.6 -39.4 -2.1 19.8 31.0 29 34 A L H <5S- 0 0 2 -4,-2.7 -1,-0.2 152,-0.2 -2,-0.2 0.601 106.8-126.9 -89.0 -13.2 0.1 17.7 28.7 30 35 A A T <5 + 0 0 46 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.924 67.4 121.8 64.2 46.7 -0.6 14.4 30.6 31 36 A I S > - 0 0 67 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.264 33.9-129.0 -56.8 141.1 5.2 13.0 34.2 33 38 A T H 3> S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.858 109.7 65.0 -57.8 -35.0 6.3 16.2 36.0 34 39 A N H 3> S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 98.4 52.3 -54.2 -39.9 9.8 14.7 35.9 35 40 A R H <> S+ 0 0 99 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.910 111.5 45.3 -66.2 -43.7 9.7 15.0 32.1 36 41 A V H X S+ 0 0 2 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.939 114.1 49.0 -63.6 -48.3 8.7 18.6 32.1 37 42 A T H X S+ 0 0 52 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.896 109.9 52.0 -58.4 -42.9 11.3 19.5 34.8 38 43 A A H <>S+ 0 0 21 -4,-2.4 5,-3.1 -5,-0.2 6,-1.0 0.898 111.5 46.6 -62.1 -41.9 14.0 17.7 32.9 39 44 A I H ><5S+ 0 0 3 -4,-1.9 3,-1.3 4,-0.2 -32,-0.4 0.914 111.3 51.7 -66.2 -43.5 13.2 19.6 29.7 40 45 A L H 3<5S+ 0 0 44 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.846 111.3 47.8 -61.4 -35.0 13.1 22.9 31.6 41 46 A N T 3<5S- 0 0 125 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.390 115.1-116.0 -88.8 3.2 16.5 22.2 33.1 42 47 A G T < 5S+ 0 0 30 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.758 84.3 118.6 69.6 25.7 18.0 21.2 29.7 43 48 A A S - 0 0 76 -2,-0.8 4,-2.5 1,-0.1 5,-0.2 -0.325 33.2-101.5 -82.2 171.7 10.8 14.2 21.4 48 53 A A H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.871 123.7 53.8 -61.3 -37.6 8.1 14.0 18.7 49 54 A D H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 110.9 44.7 -63.0 -44.9 5.6 12.9 21.3 50 55 A T H > S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.886 110.5 55.5 -66.7 -39.1 6.3 15.9 23.5 51 56 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.899 107.1 49.8 -59.8 -42.3 6.2 18.2 20.5 52 57 A L H X S+ 0 0 18 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.880 112.7 47.0 -64.5 -39.3 2.8 17.0 19.5 53 58 A R H X S+ 0 0 8 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.922 113.2 47.6 -69.3 -45.3 1.5 17.6 23.1 54 59 A L H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 6,-0.4 0.893 110.6 53.5 -60.4 -41.4 3.1 21.1 23.3 55 60 A A H X>S+ 0 0 8 -4,-2.5 4,-1.3 -5,-0.2 5,-1.0 0.911 110.7 45.7 -60.5 -44.3 1.6 21.9 19.9 56 61 A K H <5S+ 0 0 44 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.877 118.3 42.9 -67.3 -39.2 -1.9 21.0 21.0 57 62 A F H <5S+ 0 0 2 -4,-2.2 127,-2.6 126,-0.2 128,-0.4 0.940 123.1 34.0 -74.1 -49.3 -1.6 22.8 24.3 58 63 A F H <5S- 0 0 39 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.565 106.7-120.0 -85.6 -9.7 0.1 26.0 23.1 59 64 A G T <5S+ 0 0 61 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.2 0.810 73.2 119.5 74.6 30.5 -1.7 26.0 19.8 60 65 A T < - 0 0 54 -5,-1.0 -1,-0.2 -6,-0.4 3,-0.0 -0.314 69.4 -87.3-105.8-167.6 1.5 25.9 17.8 61 66 A T > - 0 0 72 -2,-0.1 4,-0.8 1,-0.1 3,-0.2 -0.747 24.9-129.1 -97.3 154.2 2.9 23.4 15.3 62 67 A P H > S+ 0 0 21 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.818 109.4 65.4 -68.5 -28.0 4.9 20.3 16.4 63 68 A E H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.862 93.3 60.4 -59.6 -38.0 7.5 21.4 13.9 64 69 A F H > S+ 0 0 89 -3,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.916 108.4 42.1 -55.2 -46.9 8.1 24.6 15.9 65 70 A W H X S+ 0 0 3 -4,-0.8 4,-1.5 -3,-0.3 -1,-0.2 0.861 114.3 49.4 -73.5 -37.2 9.2 22.7 18.9 66 71 A L H X S+ 0 0 7 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.856 108.2 54.7 -70.3 -34.6 11.3 20.1 17.1 67 72 A N H X S+ 0 0 71 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.806 104.3 54.8 -67.9 -30.3 13.1 22.9 15.1 68 73 A L H X S+ 0 0 32 -4,-1.1 4,-1.8 -5,-0.2 -1,-0.2 0.911 110.3 46.1 -64.8 -42.5 14.0 24.5 18.5 69 74 A Q H X S+ 0 0 7 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.901 111.6 51.9 -66.1 -41.5 15.6 21.2 19.5 70 75 A D H X S+ 0 0 12 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.935 107.6 51.4 -58.9 -49.1 17.3 20.9 16.1 71 76 A A H X S+ 0 0 39 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.907 113.9 44.8 -55.6 -44.4 18.8 24.4 16.4 72 77 A Y H X S+ 0 0 50 -4,-1.8 4,-2.3 -68,-0.2 -1,-0.2 0.921 113.1 49.9 -66.1 -46.1 20.2 23.5 19.8 73 78 A D H X S+ 0 0 50 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.900 110.3 50.9 -60.2 -43.0 21.5 20.1 18.7 74 79 A I H X S+ 0 0 10 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.930 111.3 46.5 -61.6 -47.2 23.3 21.7 15.7 75 80 A K H X S+ 0 0 77 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.869 113.7 48.8 -65.4 -37.0 25.0 24.3 17.8 76 81 A X H X S+ 0 0 80 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.891 111.6 49.9 -67.1 -39.9 26.0 21.8 20.4 77 82 A A H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.859 109.1 52.2 -66.6 -36.2 27.3 19.5 17.6 78 83 A L H X S+ 0 0 85 -4,-2.3 4,-1.6 3,-0.2 5,-0.4 0.882 110.0 48.3 -67.1 -39.5 29.3 22.4 16.1 79 84 A K H < S+ 0 0 156 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.884 118.8 40.2 -66.2 -39.0 30.9 23.2 19.5 80 85 A K H < S- 0 0 183 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.850 141.2 -0.0 -80.2 -36.7 31.8 19.5 20.0 81 86 A S H X S+ 0 0 23 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.367 89.7 114.6-139.6 2.0 32.9 18.5 16.5 82 87 A G H X S+ 0 0 13 -4,-1.6 4,-1.6 -5,-0.5 -3,-0.1 0.894 85.6 41.6 -45.2 -55.8 32.6 21.5 14.2 83 88 A K H > S+ 0 0 168 -5,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.914 114.1 51.4 -62.4 -45.7 36.3 21.8 13.5 84 89 A K H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 108.4 52.6 -60.7 -37.7 36.9 18.1 13.1 85 90 A I H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.868 105.6 54.6 -66.4 -36.8 34.1 17.8 10.7 86 91 A E H < S+ 0 0 119 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.838 115.8 38.6 -64.0 -33.7 35.6 20.6 8.5 87 92 A K H < S+ 0 0 174 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.777 123.6 40.0 -87.1 -29.7 38.9 18.6 8.4 88 93 A E H < S+ 0 0 76 -4,-2.3 2,-0.4 -5,-0.2 -3,-0.2 0.916 94.2 81.1 -86.5 -48.9 37.4 15.2 8.0 89 94 A V S < S- 0 0 3 -4,-2.3 32,-0.2 -5,-0.2 31,-0.1 -0.493 74.8-128.7 -81.2 120.8 34.4 15.4 5.7 90 95 A T - 0 0 60 30,-1.4 2,-0.8 -2,-0.4 -1,-0.1 -0.453 16.5-136.0 -62.5 114.2 35.0 15.5 1.9 91 96 A P 0 0 85 0, 0.0 58,-0.2 0, 0.0 59,-0.1 -0.679 360.0 360.0 -71.2 111.6 33.1 18.4 0.4 92 97 A Y 0 0 160 57,-1.0 58,-0.1 -2,-0.8 57,-0.1 0.742 360.0 360.0 -75.7 360.0 31.7 16.6 -2.7 93 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 7 B R 0 0 234 0, 0.0 2,-0.8 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 119.8 3.3 9.2 3.7 95 8 B P - 0 0 64 0, 0.0 2,-0.6 0, 0.0 69,-0.1 -0.595 360.0-173.6 -75.8 106.8 6.1 8.7 6.2 96 9 B I - 0 0 69 -2,-0.8 68,-0.2 64,-0.1 67,-0.1 -0.894 15.6-143.3-104.9 114.5 9.4 9.0 4.3 97 10 B H >> - 0 0 7 -2,-0.6 3,-1.9 1,-0.1 4,-0.9 -0.547 19.2-125.4 -73.0 139.5 12.6 8.2 6.3 98 11 B P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.767 109.2 67.6 -56.2 -27.3 15.5 10.5 5.5 99 12 B G H 3> S+ 0 0 0 32,-0.3 4,-2.3 1,-0.2 5,-0.1 0.800 93.8 57.7 -62.9 -30.0 17.5 7.3 4.7 100 13 B E H <> S+ 0 0 98 -3,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.885 108.8 44.4 -67.1 -40.4 15.3 6.7 1.7 101 14 B I H X S+ 0 0 52 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.878 111.8 53.2 -70.4 -39.1 16.2 10.1 0.3 102 15 B L H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.920 108.2 51.1 -60.6 -44.4 19.9 9.5 1.1 103 16 B A H X S+ 0 0 43 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.908 108.3 51.3 -60.1 -44.7 19.8 6.2 -0.8 104 17 B E H < S+ 0 0 132 -4,-1.7 4,-0.3 1,-0.2 3,-0.3 0.907 111.6 47.2 -59.9 -43.4 18.2 7.8 -3.8 105 18 B E H >< S+ 0 0 94 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.867 106.6 58.0 -66.6 -37.4 21.0 10.5 -3.9 106 19 B L H >< S+ 0 0 9 -4,-2.2 3,-1.7 1,-0.3 6,-1.5 0.815 93.4 68.4 -62.5 -31.3 23.7 7.9 -3.4 107 20 B G T 3X S+ 0 0 25 -4,-1.4 4,-0.7 -3,-0.3 -1,-0.3 0.692 96.6 53.9 -62.4 -19.3 22.6 6.1 -6.6 108 21 B F T <4 S+ 0 0 171 -3,-1.4 2,-0.6 -4,-0.3 -1,-0.3 0.432 88.3 79.7 -97.0 -0.9 23.8 9.1 -8.7 109 22 B L T <4 S- 0 0 22 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.1 -0.479 130.6 -72.1-103.0 60.2 27.3 9.1 -7.3 110 23 B D T 4 S- 0 0 159 -2,-0.6 -2,-0.2 1,-0.2 -3,-0.1 0.898 91.8 -61.0 51.3 45.4 28.5 6.2 -9.4 111 24 B K S < S- 0 0 160 -4,-0.7 -1,-0.2 -5,-0.2 -4,-0.2 0.945 76.3-156.0 46.3 62.8 26.4 3.8 -7.3 112 25 B X - 0 0 27 -6,-1.5 -1,-0.1 1,-0.1 2,-0.1 -0.444 5.5-132.7 -70.5 136.4 28.3 4.6 -4.1 113 26 B S > - 0 0 53 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.421 21.0-111.2 -85.1 164.0 28.1 2.0 -1.4 114 27 B A H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.903 119.6 53.7 -59.8 -41.7 27.3 2.6 2.3 115 28 B N H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.883 108.6 48.5 -60.9 -40.9 30.9 1.7 3.2 116 29 B Q H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 113.3 46.8 -67.2 -41.9 32.3 4.3 0.7 117 30 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.907 107.6 57.2 -64.9 -42.4 29.9 7.0 2.0 118 31 B A H X>S+ 0 0 2 -4,-2.8 5,-2.2 1,-0.2 4,-0.9 0.853 106.5 50.7 -57.1 -36.3 30.8 6.1 5.6 119 32 B K H <5S+ 0 0 154 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.914 109.9 48.7 -67.0 -44.5 34.5 6.8 4.7 120 33 B H H <5S+ 0 0 58 -4,-1.7 -30,-1.4 1,-0.2 -2,-0.2 0.870 116.7 42.0 -63.9 -38.1 33.6 10.2 3.2 121 34 B L H <5S- 0 0 3 -4,-2.5 -1,-0.2 -32,-0.2 -2,-0.2 0.601 107.2-129.0 -84.5 -12.8 31.6 11.2 6.2 122 35 B A T <5 + 0 0 40 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.908 67.6 116.7 62.8 44.4 34.2 9.7 8.6 123 36 B I S > - 0 0 62 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.282 34.0-130.6 -60.8 142.6 31.1 3.9 11.1 125 38 B T H 3> S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.839 107.3 63.1 -60.3 -33.9 29.6 2.0 8.1 126 39 B N H 3> S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.822 100.8 51.7 -61.4 -32.9 27.1 0.5 10.5 127 40 B R H <> S+ 0 0 77 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.900 111.0 46.4 -71.5 -42.1 25.7 3.9 11.2 128 41 B V H X S+ 0 0 2 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.917 113.2 49.3 -66.0 -44.7 25.2 4.7 7.5 129 42 B T H X S+ 0 0 53 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.911 110.3 50.9 -60.7 -44.3 23.6 1.3 6.8 130 43 B A H <>S+ 0 0 13 -4,-2.0 5,-3.2 -5,-0.2 6,-1.0 0.900 112.0 47.4 -60.9 -41.9 21.2 1.7 9.7 131 44 B I H ><5S+ 0 0 3 -4,-2.0 3,-1.4 4,-0.2 -32,-0.3 0.930 110.9 50.5 -64.8 -46.8 20.2 5.1 8.4 132 45 B L H 3<5S+ 0 0 38 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.871 111.8 48.7 -58.3 -37.9 19.8 3.9 4.9 133 46 B N T 3<5S- 0 0 124 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.452 114.2-119.5 -83.0 -1.2 17.6 1.0 6.2 134 47 B G T < 5S+ 0 0 25 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.798 83.0 117.4 67.6 29.7 15.6 3.5 8.3 135 48 B A S - 0 0 80 -2,-0.6 4,-2.8 1,-0.1 5,-0.2 -0.408 33.1-101.9 -87.5 170.4 21.5 13.3 14.6 140 53 B A H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.892 124.3 55.0 -58.0 -40.4 22.8 16.8 14.3 141 54 B D H > S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.912 111.5 43.0 -59.7 -44.9 26.3 15.4 14.0 142 55 B T H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.900 111.3 55.4 -66.8 -41.8 25.2 13.3 11.0 143 56 B A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.866 105.8 52.2 -59.5 -38.5 23.2 16.1 9.5 144 57 B L H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.885 110.5 47.2 -65.7 -39.6 26.3 18.4 9.6 145 58 B R H X S+ 0 0 17 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.877 113.2 48.1 -71.3 -38.4 28.4 15.8 7.8 146 59 B L H X S+ 0 0 1 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.895 110.6 52.6 -65.9 -40.7 25.7 15.2 5.2 147 60 B A H X>S+ 0 0 8 -4,-2.4 5,-1.7 -5,-0.2 4,-1.4 0.929 112.6 44.3 -59.9 -46.9 25.4 18.9 4.7 148 61 B K H <5S+ 0 0 63 -4,-2.2 -56,-0.4 3,-0.2 -2,-0.2 0.921 118.7 43.4 -62.8 -46.1 29.1 19.3 4.1 149 62 B F H <5S+ 0 0 1 -4,-2.5 -57,-1.0 -58,-0.2 -2,-0.2 0.928 123.6 33.1 -68.9 -47.6 29.2 16.2 1.8 150 63 B F H <5S- 0 0 42 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.537 107.8-116.2 -90.3 -7.2 26.1 16.9 -0.3 151 64 B G T <5S+ 0 0 68 -4,-1.4 2,-0.2 -5,-0.3 -3,-0.2 0.925 74.7 115.6 71.2 45.4 26.3 20.7 -0.2 152 65 B T S - 0 0 73 -2,-0.2 4,-0.6 1,-0.1 3,-0.2 -0.662 29.8-124.9 -91.4 156.7 22.2 22.8 5.1 154 67 B P H >> S+ 0 0 21 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.836 110.6 62.2 -68.2 -30.0 22.1 20.5 8.2 155 68 B E H 3> S+ 0 0 81 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.842 91.1 66.3 -62.7 -35.3 18.5 21.6 8.8 156 69 B F H 3> S+ 0 0 112 -3,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.876 109.1 37.4 -54.1 -40.3 17.4 20.2 5.5 157 70 B W H S+ 0 0 185 -5,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.857 115.0 54.2 -64.8 -36.0 -5.6 9.7 19.0 176 89 B K H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.919 109.7 46.2 -63.4 -46.0 -4.4 9.4 22.5 177 90 B I H X S+ 0 0 7 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.896 108.3 55.8 -65.9 -42.1 -2.8 12.9 22.5 178 91 B E H < S+ 0 0 122 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.846 114.5 40.8 -57.7 -35.1 -5.9 14.5 20.9 179 92 B K H < S+ 0 0 176 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.850 118.8 42.8 -82.5 -37.1 -8.0 13.1 23.8 180 93 B E H < S+ 0 0 68 -4,-2.2 2,-0.4 -5,-0.1 -2,-0.2 0.804 96.1 81.3 -83.9 -32.1 -5.6 13.7 26.7 181 94 B V < - 0 0 5 -4,-2.3 -152,-0.2 -5,-0.2 -153,-0.1 -0.661 63.1-150.9 -90.7 126.9 -4.3 17.2 26.0 182 95 B T - 0 0 72 -154,-1.2 2,-0.1 -2,-0.4 -3,-0.1 -0.826 20.3-127.5 -93.5 116.8 -6.3 20.4 26.9 183 96 B P - 0 0 67 0, 0.0 -126,-0.2 0, 0.0 -125,-0.2 -0.444 18.8-127.7 -59.5 133.1 -5.6 23.3 24.6 184 97 B Y 0 0 90 -127,-2.6 -126,-0.1 -128,-0.1 -127,-0.1 0.842 360.0 360.0 -52.4 -37.0 -4.7 26.3 26.9 185 98 B D 0 0 188 -128,-0.4 -1,-0.1 0, 0.0 -128,-0.0 0.969 360.0 360.0 -58.9 360.0 -7.4 28.4 25.1