==== 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 DNA BINDING PROTEIN 19-DEC-06 2OBP . COMPND 2 MOLECULE: PUTATIVE DNA-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA EUTROPHA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 . 17 10.5 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 . 2 1.2 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 . 5 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 2 0 2 0 0 4 0 0 0 0 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 . 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 12 A G 0 0 139 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.1 15.2 38.7 41.6 2 13 A I - 0 0 131 1,-0.1 3,-0.1 2,-0.0 0, 0.0 -0.547 360.0-112.8 -90.3 140.0 17.6 38.1 38.7 3 14 A D > - 0 0 54 -2,-0.2 4,-1.8 1,-0.2 3,-0.5 -0.612 26.2-158.1 -68.0 111.5 20.5 40.4 37.8 4 15 A P H > S+ 0 0 95 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.775 86.9 60.7 -67.9 -26.7 19.4 41.7 34.4 5 16 A A H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.881 105.1 46.7 -67.8 -37.7 22.9 42.7 33.5 6 17 A I H > S+ 0 0 47 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.933 114.3 48.4 -68.4 -44.8 24.2 39.1 33.8 7 18 A V H X S+ 0 0 31 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.930 111.0 50.8 -57.1 -45.8 21.2 37.8 31.8 8 19 A E H X S+ 0 0 69 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.904 109.8 48.7 -65.6 -41.9 21.7 40.5 29.1 9 20 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.896 110.5 51.7 -63.3 -43.3 25.3 39.7 28.6 10 21 A L H X S+ 0 0 18 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.926 111.4 48.3 -58.1 -42.9 24.5 35.9 28.3 11 22 A L H X S+ 0 0 60 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 112.6 47.2 -62.2 -44.1 21.9 36.7 25.7 12 23 A V H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.925 112.9 48.8 -65.4 -43.8 24.3 38.9 23.7 13 24 A L H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 55,-0.3 0.874 109.1 53.2 -66.6 -36.0 27.1 36.3 23.8 14 25 A R H < S+ 0 0 74 -4,-2.2 4,-0.4 -5,-0.2 3,-0.3 0.940 109.8 48.2 -60.9 -47.6 24.7 33.6 22.8 15 26 A E H >< S+ 0 0 120 -4,-2.0 3,-1.4 1,-0.2 4,-0.4 0.912 108.2 55.5 -54.6 -47.6 23.7 35.7 19.7 16 27 A A H 3< S+ 0 0 15 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.844 110.1 46.2 -55.9 -35.4 27.4 36.3 18.9 17 28 A G T 3< S+ 0 0 56 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.387 81.7 95.0 -92.3 1.4 28.1 32.6 18.8 18 29 A I S < S+ 0 0 110 -3,-1.4 2,-0.7 -4,-0.4 -1,-0.2 0.886 74.3 69.4 -65.3 -38.5 25.2 31.4 16.7 19 30 A E S > S- 0 0 149 -4,-0.4 3,-1.9 -3,-0.4 -1,-0.1 -0.717 95.3-122.3 -81.8 116.1 27.3 31.5 13.5 20 31 A N T 3 S+ 0 0 165 -2,-0.7 -2,-0.1 1,-0.3 -1,-0.1 -0.262 92.7 13.0 -60.1 137.5 29.9 28.7 13.7 21 32 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -4,-0.1 -4,-0.1 0.506 90.1 153.0 72.0 6.0 33.5 30.0 13.4 22 33 A A < - 0 0 37 -3,-1.9 -1,-0.2 -5,-0.1 3,-0.0 -0.325 53.5-102.8 -66.3 146.3 32.4 33.6 13.9 23 34 A T - 0 0 27 92,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.530 43.3-106.1 -65.7 132.0 35.0 36.0 15.3 24 35 A P - 0 0 43 0, 0.0 43,-0.1 0, 0.0 -1,-0.1 -0.362 42.5-103.1 -61.8 146.3 34.3 36.7 19.0 25 36 A W - 0 0 29 41,-0.5 41,-1.8 1,-0.1 2,-0.1 -0.327 32.3-111.8 -72.9 145.7 32.8 40.2 19.6 26 37 A S B >> -A 65 0A 3 39,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.347 30.7-108.0 -69.1 155.0 35.0 42.9 20.9 27 38 A L H 3> S+ 0 0 2 37,-1.8 4,-2.7 1,-0.2 5,-0.2 0.913 117.4 51.5 -55.8 -45.7 34.2 44.3 24.4 28 39 A P H 3> S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.839 109.6 50.7 -62.1 -33.5 32.7 47.6 23.2 29 40 A K H <> S+ 0 0 54 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.909 110.7 48.2 -66.1 -43.2 30.4 45.8 20.8 30 41 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.933 113.2 49.0 -60.3 -46.3 29.2 43.5 23.6 31 42 A A H X>S+ 0 0 9 -4,-2.7 5,-2.4 -5,-0.2 4,-0.7 0.903 112.9 47.8 -60.4 -44.1 28.7 46.6 25.8 32 43 A K H ><5S+ 0 0 138 -4,-2.3 3,-0.7 -5,-0.2 -2,-0.2 0.944 114.4 44.0 -62.7 -47.5 26.8 48.4 23.1 33 44 A R H 3<5S+ 0 0 67 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.832 117.3 46.0 -72.7 -29.0 24.5 45.5 22.2 34 45 A A H 3<5S- 0 0 5 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.523 107.2-129.0 -81.5 -10.9 23.8 44.7 26.0 35 46 A Q T <<5 + 0 0 171 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.895 62.5 134.7 58.9 44.6 23.3 48.4 26.6 36 47 A L < - 0 0 32 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.933 61.5-111.0-121.7 141.6 25.7 48.4 29.5 37 48 A P >> - 0 0 79 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.405 38.0-110.5 -59.8 150.4 28.5 50.8 30.4 38 49 A X H 3> S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.837 117.2 57.9 -54.7 -37.7 32.0 49.2 30.0 39 50 A S H 3> S+ 0 0 91 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.911 108.9 45.1 -62.5 -40.1 32.6 49.1 33.8 40 51 A V H <> S+ 0 0 43 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.925 111.2 52.9 -68.7 -41.5 29.4 46.9 34.3 41 52 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.928 108.1 51.1 -58.6 -47.2 30.3 44.7 31.3 42 53 A R H X S+ 0 0 102 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.887 110.0 49.8 -59.4 -38.0 33.7 44.0 32.8 43 54 A R H X S+ 0 0 87 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.940 112.6 46.4 -63.7 -50.1 32.2 43.1 36.2 44 55 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.923 113.1 49.4 -60.3 -44.2 29.7 40.7 34.6 45 56 A L H X S+ 0 0 3 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.859 107.1 54.6 -66.3 -38.9 32.4 39.1 32.4 46 57 A T H X S+ 0 0 89 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.921 112.0 45.4 -57.1 -43.0 34.7 38.6 35.3 47 58 A Q H X S+ 0 0 89 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.896 114.3 46.7 -68.1 -42.1 31.9 36.8 37.1 48 59 A L H <>S+ 0 0 10 -4,-2.8 5,-2.3 2,-0.2 6,-1.1 0.844 112.4 51.0 -67.2 -34.8 31.0 34.7 34.0 49 60 A Q H ><5S+ 0 0 90 -4,-2.5 3,-1.5 4,-0.2 -2,-0.2 0.922 109.0 51.6 -65.8 -45.2 34.7 33.9 33.4 50 61 A A H 3<5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.895 108.4 52.4 -56.2 -36.5 35.0 32.8 37.1 51 62 A A T 3<5S- 0 0 67 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.516 114.8-116.5 -80.5 -5.7 32.0 30.6 36.6 52 63 A G T < 5S+ 0 0 35 -3,-1.5 20,-0.4 -4,-0.3 19,-0.3 0.564 89.0 106.9 81.5 12.1 33.6 28.9 33.5 53 64 A L S - 0 0 129 4,-2.4 3,-2.7 -2,-0.3 -1,-0.0 -0.364 48.7 -75.1 -99.0-175.1 45.9 42.1 25.3 60 71 A A T 3 S+ 0 0 114 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.803 130.5 55.5 -60.6 -31.5 48.5 44.2 27.1 61 72 A D T 3 S- 0 0 95 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.431 116.6-111.5 -80.8 1.6 46.4 47.3 26.8 62 73 A G S < S+ 0 0 25 -3,-2.7 2,-0.2 1,-0.3 -2,-0.1 0.403 80.1 121.6 87.1 -1.2 43.4 45.7 28.4 63 74 A R + 0 0 50 -5,-0.1 -4,-2.4 -36,-0.0 -1,-0.3 -0.624 30.8 99.3 -91.2 154.8 41.3 45.6 25.2 64 75 A G E - B 0 58A 8 -6,-0.2 -37,-1.8 -2,-0.2 2,-0.3 -0.857 56.6 -72.3 172.2-137.5 40.0 42.4 23.6 65 76 A H E -AB 26 57A 49 -8,-2.2 -8,-2.8 -39,-0.3 2,-0.3 -0.911 24.0-151.2-148.9 169.6 37.0 40.2 23.1 66 77 A A E + B 0 56A 1 -41,-1.8 -41,-0.5 -2,-0.3 2,-0.3 -0.982 15.0 165.5-150.2 158.2 34.8 37.7 24.9 67 78 A S E - B 0 55A 35 -12,-1.9 -12,-3.1 -2,-0.3 2,-0.2 -0.963 42.3 -82.0-160.7 165.1 32.6 34.7 24.0 68 79 A L E - B 0 54A 24 -55,-0.3 -14,-0.3 -2,-0.3 -15,-0.1 -0.571 41.5-127.8 -75.3 142.0 30.8 31.8 25.7 69 80 A T > - 0 0 36 -16,-1.5 4,-2.7 -2,-0.2 5,-0.2 -0.239 38.9 -93.1 -69.9 173.8 32.9 28.7 26.5 70 81 A Q H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.937 131.9 50.3 -58.1 -40.0 31.6 25.4 25.2 71 82 A E H > S+ 0 0 125 -19,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.924 111.9 45.3 -60.2 -49.4 29.9 25.1 28.6 72 83 A G H > S+ 0 0 2 -20,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.856 112.3 51.4 -63.2 -39.2 28.4 28.5 28.4 73 84 A A H X S+ 0 0 46 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.908 111.8 45.6 -66.5 -45.8 27.2 28.1 24.8 74 85 A A H X S+ 0 0 52 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.889 116.4 46.0 -65.2 -41.1 25.5 24.8 25.5 75 86 A L H >X S+ 0 0 75 -4,-2.1 4,-2.9 -5,-0.2 3,-0.9 0.909 107.9 56.5 -67.8 -41.7 23.8 26.1 28.6 76 87 A A H 3X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.877 102.5 56.0 -59.5 -36.8 22.7 29.4 27.0 77 88 A A H 3< S+ 0 0 39 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.772 115.2 38.8 -62.3 -31.5 20.8 27.4 24.3 78 89 A Q H << S+ 0 0 135 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.819 113.2 52.5 -86.9 -40.8 18.9 25.7 27.1 79 90 A L H < S+ 0 0 97 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.866 123.0 31.1 -66.2 -35.5 18.4 28.6 29.4 80 91 A F < 0 0 50 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.0 -0.722 360.0 360.0-122.9 75.0 17.0 30.7 26.6 81 92 A P 0 0 147 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.077 360.0 360.0 -68.8 360.0 15.2 28.1 24.3 82 !* 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 83 12 B G 0 0 144 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 25.7 26.7 40.0 -6.4 84 13 B I - 0 0 119 1,-0.0 3,-0.1 2,-0.0 0, 0.0 -0.786 360.0-109.8 -99.9 144.0 28.5 42.0 -3.6 85 14 B D > - 0 0 55 -2,-0.3 4,-1.8 1,-0.2 3,-0.3 -0.595 28.0-160.2 -70.4 111.2 32.2 41.6 -2.8 86 15 B P H > S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.771 85.6 58.1 -70.1 -23.0 32.0 39.9 0.6 87 16 B A H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.878 105.7 48.5 -72.2 -36.9 35.6 40.9 1.5 88 17 B I H > S+ 0 0 44 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.947 113.2 48.2 -70.2 -42.4 34.8 44.6 1.1 89 18 B V H X S+ 0 0 26 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.942 110.5 51.9 -56.8 -49.5 31.7 44.2 3.2 90 19 B E H X S+ 0 0 76 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.928 110.3 47.3 -58.1 -45.2 33.6 42.3 5.9 91 20 B V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.894 110.3 52.4 -65.2 -41.4 36.3 44.9 6.2 92 21 B L H X S+ 0 0 16 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.923 112.3 46.3 -59.4 -41.9 33.8 47.7 6.4 93 22 B L H X S+ 0 0 48 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.892 112.0 49.9 -69.1 -39.7 32.0 45.9 9.2 94 23 B V H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.939 113.5 45.3 -61.3 -48.0 35.2 45.1 11.1 95 24 B L H X S+ 0 0 3 -4,-2.7 4,-1.2 2,-0.2 55,-0.4 0.835 109.7 56.0 -66.5 -33.0 36.4 48.7 10.9 96 25 B R H >< S+ 0 0 89 -4,-1.9 3,-0.6 -5,-0.3 -2,-0.2 0.949 108.6 47.5 -60.8 -46.0 32.9 49.9 12.0 97 26 B E H >< S+ 0 0 21 -4,-2.2 3,-1.8 1,-0.2 4,-0.3 0.916 107.0 57.7 -59.2 -41.4 33.1 47.7 15.1 98 27 B A H 3< S+ 0 0 13 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.811 104.1 53.7 -59.4 -31.3 36.6 49.1 15.8 99 28 B G T << S+ 0 0 53 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.376 74.5 102.9 -88.9 7.1 35.2 52.6 15.9 100 29 B I S < S+ 0 0 58 -3,-1.8 2,-0.7 -4,-0.2 -1,-0.2 0.913 73.3 63.3 -59.1 -47.4 32.5 52.0 18.5 101 30 B E S > S- 0 0 86 -3,-0.4 3,-2.2 -4,-0.3 -1,-0.1 -0.701 95.6-122.1 -81.2 112.8 34.4 53.7 21.2 102 31 B N T 3 S+ 0 0 171 -2,-0.7 -2,-0.1 1,-0.3 -1,-0.1 -0.269 94.3 9.8 -55.9 132.4 35.0 57.4 20.4 103 32 B G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -4,-0.1 -3,-0.1 0.576 90.3 154.0 72.7 8.6 38.7 58.2 20.3 104 33 B A < - 0 0 34 -3,-2.2 -1,-0.2 -5,-0.1 3,-0.1 -0.332 54.2 -99.5 -66.5 149.2 39.8 54.5 20.5 105 34 B T - 0 0 97 1,-0.1 -1,-0.1 -2,-0.0 -4,-0.1 -0.545 46.6-106.1 -65.0 128.7 43.2 53.6 19.1 106 35 B P - 0 0 44 0, 0.0 43,-0.1 0, 0.0 2,-0.1 -0.228 37.3-104.9 -55.6 150.7 42.8 52.1 15.6 107 36 B W E -C 148 0B 10 41,-0.5 41,-1.5 1,-0.1 2,-0.0 -0.440 36.6-106.7 -74.0 149.5 43.3 48.4 15.4 108 37 B S E > -C 147 0B 50 39,-0.2 4,-2.4 -2,-0.1 39,-0.3 -0.313 28.2-110.2 -72.2 157.0 46.5 47.1 13.8 109 38 B L H > S+ 0 0 5 37,-2.0 4,-2.8 1,-0.2 5,-0.2 0.911 118.9 53.0 -55.0 -46.8 46.5 45.5 10.3 110 39 B P H > S+ 0 0 82 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.914 110.0 48.2 -55.5 -40.4 47.1 42.0 11.8 111 40 B K H > S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.899 112.6 47.7 -64.4 -45.5 44.2 42.3 14.2 112 41 B I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 6,-0.2 0.939 112.9 48.5 -64.0 -43.0 41.9 43.5 11.4 113 42 B A H X>S+ 0 0 9 -4,-2.8 5,-2.1 -5,-0.2 4,-0.7 0.933 113.4 48.1 -60.6 -45.6 43.0 40.7 9.2 114 43 B K H ><5S+ 0 0 163 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.938 114.9 43.4 -57.6 -50.7 42.5 38.2 11.9 115 44 B R H 3<5S+ 0 0 15 -4,-2.9 -92,-0.3 1,-0.3 -2,-0.2 0.854 115.4 48.5 -71.1 -32.2 39.0 39.4 12.9 116 45 B A H 3<5S- 0 0 6 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.569 105.7-131.2 -76.3 -12.0 37.9 39.7 9.2 117 46 B Q T <<5 + 0 0 117 -3,-0.7 -3,-0.2 -4,-0.7 -4,-0.1 0.865 62.1 135.0 58.8 39.5 39.3 36.2 8.6 118 47 B L < - 0 0 37 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.907 62.4-108.8-116.2 144.6 41.1 37.5 5.5 119 48 B P >> - 0 0 76 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.403 37.1-113.1 -58.7 148.2 44.7 36.9 4.3 120 49 B X H 3> S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.853 116.6 56.4 -55.4 -38.1 46.8 40.0 4.7 121 50 B S H 3> S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.885 109.4 45.8 -65.4 -35.5 47.1 40.4 0.9 122 51 B V H <> S+ 0 0 41 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.918 111.5 52.5 -70.1 -45.4 43.2 40.5 0.5 123 52 B L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.923 109.6 48.8 -53.9 -47.5 43.0 42.9 3.5 124 53 B R H X S+ 0 0 87 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.897 110.2 51.6 -67.3 -34.7 45.5 45.3 1.8 125 54 B R H X S+ 0 0 92 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.964 113.3 44.4 -60.2 -51.7 43.6 45.1 -1.5 126 55 B V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.901 112.4 51.9 -61.5 -42.2 40.3 46.0 0.2 127 56 B L H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.887 107.2 52.8 -65.4 -34.3 41.9 48.7 2.3 128 57 B T H X S+ 0 0 79 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.922 111.8 46.7 -65.1 -40.3 43.4 50.3 -0.8 129 58 B Q H X S+ 0 0 90 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.897 114.4 45.5 -67.3 -42.8 40.0 50.4 -2.4 130 59 B L H <>S+ 0 0 9 -4,-2.7 5,-2.4 2,-0.2 6,-1.0 0.865 113.5 50.9 -71.6 -34.0 38.3 51.8 0.7 131 60 B Q H ><5S+ 0 0 93 -4,-2.7 3,-1.7 4,-0.2 -2,-0.2 0.944 109.5 50.4 -62.1 -49.3 41.1 54.4 1.1 132 61 B A H 3<5S+ 0 0 86 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.886 109.1 52.4 -55.5 -36.4 40.7 55.4 -2.6 133 62 B A T 3<5S- 0 0 65 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.496 115.0-117.6 -78.9 -9.0 37.0 55.8 -2.0 134 63 B G T < 5S+ 0 0 34 -3,-1.7 20,-0.4 -4,-0.3 19,-0.3 0.596 88.2 108.0 83.6 11.7 37.6 58.1 1.0 135 64 B L S - 0 0 143 4,-2.2 3,-6.5 -2,-0.3 4,-0.4 -0.786 45.6 -77.9-120.9 167.7 55.2 53.1 8.4 142 71 B A T 3 S+ 0 0 113 1,-0.3 -2,-0.0 -2,-0.3 -1,-0.0 0.586 132.9 50.3 -39.7 -32.6 58.4 52.5 6.5 143 72 B D T 3 S- 0 0 101 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.498 116.7-115.5 -81.8 -3.7 58.2 48.8 7.4 144 73 B G S < S+ 0 0 30 -3,-6.5 2,-0.2 1,-0.3 -2,-0.2 0.413 71.5 137.6 80.6 1.9 54.5 48.7 6.0 145 74 B R + 0 0 182 -4,-0.4 -4,-2.2 -5,-0.1 -1,-0.3 -0.577 30.2 125.6 -81.9 153.5 53.2 47.9 9.5 146 75 B G E - D 0 140B 19 -6,-0.2 -37,-2.0 -2,-0.2 2,-0.3 -0.870 49.1-106.8 178.2 175.9 50.2 49.8 10.3 147 76 B H E -CD 108 139B 69 -8,-1.9 -8,-2.7 -39,-0.3 2,-0.3 -0.921 21.3-157.5-150.4 165.7 46.6 50.3 11.4 148 77 B A E +CD 107 138B 0 -41,-1.5 -41,-0.5 -2,-0.3 2,-0.3 -0.983 12.8 166.4-150.2 158.5 43.4 51.3 9.7 149 78 B S E - D 0 137B 32 -12,-2.1 -12,-2.8 -2,-0.3 2,-0.2 -0.959 40.7 -84.2-160.4 163.4 40.0 52.8 10.6 150 79 B L E - D 0 136B 25 -55,-0.4 -14,-0.3 -2,-0.3 -15,-0.1 -0.597 38.3-128.2 -75.2 147.8 37.0 54.3 8.9 151 80 B T > - 0 0 32 -16,-1.7 4,-2.8 -2,-0.2 5,-0.2 -0.311 37.6 -95.4 -74.0 174.6 36.9 58.0 8.0 152 81 B Q H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.922 131.2 50.3 -55.9 -42.2 34.0 60.1 9.2 153 82 B E H > S+ 0 0 116 -19,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.916 111.8 46.3 -62.0 -46.8 32.5 59.4 5.7 154 83 B G H > S+ 0 0 0 -20,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.885 111.0 52.0 -66.3 -42.1 33.0 55.7 6.1 155 84 B A H X S+ 0 0 47 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.923 112.3 44.3 -60.0 -45.4 31.7 55.5 9.6 156 85 B A H X S+ 0 0 46 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.938 117.0 46.1 -70.3 -44.2 28.4 57.3 8.8 157 86 B L H X S+ 0 0 76 -4,-2.2 4,-3.1 -5,-0.2 5,-0.3 0.904 108.5 54.6 -65.1 -42.5 27.9 55.3 5.6 158 87 B A H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.847 107.4 52.0 -61.0 -33.0 28.7 51.9 7.2 159 88 B A H < S+ 0 0 55 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.832 116.9 39.3 -69.9 -35.3 26.0 52.6 9.9 160 89 B Q H < S+ 0 0 130 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.849 112.5 52.7 -83.4 -39.9 23.4 53.3 7.2 161 90 B L H < S+ 0 0 100 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.817 122.8 30.5 -70.9 -29.7 24.4 50.7 4.6 162 91 B F < 0 0 48 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.0 -0.730 360.0 360.0-127.1 75.4 24.2 47.9 7.2 163 92 B P 0 0 152 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.066 360.0 360.0 -75.8 360.0 21.5 49.1 9.7