==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-APR-11 3RLZ . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.A.LIRIANO,D.J.WEBER . 180 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 67.8 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 . 4 2.2 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 . 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 . 9 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 54.4 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+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 0 0 0 4 0 0 0 0 1 2 1 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 . 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 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 0 A M 0 0 152 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.8 -8.9 15.0 21.6 2 1 A S > - 0 0 57 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.314 360.0 -98.6 -72.2 165.0 -10.0 14.2 25.3 3 2 A E H > S+ 0 0 158 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.905 127.4 49.9 -49.5 -48.7 -7.4 13.8 28.1 4 3 A L H > S+ 0 0 135 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.924 111.5 48.8 -58.6 -49.6 -7.6 9.9 27.7 5 4 A E H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.903 110.4 50.9 -56.4 -42.2 -7.0 10.3 23.9 6 5 A K H X S+ 0 0 73 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.882 110.2 50.6 -60.0 -36.9 -4.1 12.7 24.6 7 6 A A H X S+ 0 0 52 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.949 107.4 53.1 -71.8 -43.8 -2.6 10.1 27.0 8 7 A V H X S+ 0 0 74 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.942 113.3 42.7 -50.5 -51.8 -3.0 7.3 24.4 9 8 A V H X S+ 0 0 74 -4,-2.2 4,-3.4 1,-0.2 -1,-0.2 0.843 107.8 60.3 -71.3 -30.1 -1.1 9.4 21.8 10 9 A A H X S+ 0 0 43 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.899 101.8 54.5 -58.0 -42.8 1.5 10.5 24.4 11 10 A L H X S+ 0 0 53 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.881 113.8 40.5 -57.7 -40.3 2.4 6.8 24.9 12 11 A I H X S+ 0 0 79 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.938 114.1 53.8 -73.6 -46.4 3.0 6.4 21.2 13 12 A D H X S+ 0 0 92 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.925 112.3 43.3 -51.1 -52.3 4.8 9.8 20.9 14 13 A V H X S+ 0 0 38 -4,-3.1 4,-1.4 1,-0.2 5,-0.2 0.905 110.0 54.3 -69.4 -41.9 7.2 8.9 23.7 15 14 A F H X S+ 0 0 1 -4,-1.6 4,-3.3 -5,-0.3 3,-0.4 0.929 112.4 44.8 -54.8 -45.8 8.0 5.4 22.6 16 15 A H H X S+ 0 0 73 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.842 102.7 64.1 -73.6 -29.2 8.9 6.7 19.2 17 16 A Q H < S+ 0 0 91 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.831 118.8 28.1 -57.6 -31.9 11.0 9.6 20.6 18 17 A Y H >< S+ 0 0 8 -4,-1.4 3,-1.2 -3,-0.4 4,-0.4 0.839 119.6 51.4 -98.4 -44.2 13.3 6.8 22.0 19 18 A S H 3< S+ 0 0 0 -4,-3.3 8,-0.4 -5,-0.2 3,-0.4 0.817 104.3 61.5 -62.5 -29.4 12.9 3.9 19.6 20 19 A G T 3< S+ 0 0 33 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 0.549 84.8 80.9 -75.3 -8.3 13.6 6.3 16.6 21 20 A R S < S+ 0 0 115 -3,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.944 99.7 3.1 -65.0 -52.6 17.2 7.1 17.9 22 21 A E S S- 0 0 89 -4,-0.4 7,-0.2 -3,-0.4 -1,-0.2 -0.971 105.7 -19.3-143.7 155.1 19.1 4.1 16.7 23 22 A G S S+ 0 0 58 -2,-0.3 2,-0.2 -3,-0.1 5,-0.0 -0.288 119.3 25.5 59.1-134.6 19.0 0.8 14.8 24 23 A D S > S- 0 0 61 1,-0.2 3,-0.8 2,-0.1 -2,-0.3 -0.448 72.8-154.3 -61.2 123.5 15.5 -0.5 14.4 25 24 A K T 3 S+ 0 0 105 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.546 88.7 55.5 -86.5 -5.0 13.4 2.6 14.6 26 25 A H T 3 S+ 0 0 119 -6,-0.1 45,-0.4 -7,-0.0 2,-0.3 0.323 105.3 56.5-109.0 0.5 10.3 0.6 15.9 27 26 A K S < S- 0 0 40 -3,-0.8 2,-0.6 -8,-0.4 43,-0.2 -0.957 76.8-122.8-135.5 153.4 12.0 -1.0 18.9 28 27 A L B -A 69 0A 0 41,-3.0 41,-3.3 -2,-0.3 2,-0.1 -0.862 23.3-158.9 -94.3 121.0 13.9 0.1 21.9 29 28 A K > - 0 0 72 -2,-0.6 4,-2.9 39,-0.2 5,-0.3 -0.423 42.3 -86.5 -81.8 171.8 17.4 -1.2 22.4 30 29 A K H > S+ 0 0 82 37,-0.4 4,-3.0 1,-0.2 5,-0.1 0.893 128.2 45.8 -46.4 -53.0 19.0 -1.3 25.9 31 30 A S H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 114.6 48.5 -65.3 -38.6 20.4 2.3 25.7 32 31 A E H > S+ 0 0 1 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.913 113.6 46.6 -60.7 -47.6 17.1 3.7 24.3 33 32 A L H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.918 111.5 53.4 -61.3 -46.8 15.1 1.9 27.1 34 33 A K H X S+ 0 0 63 -4,-3.0 4,-2.7 -5,-0.3 14,-0.2 0.944 110.6 44.5 -52.7 -51.9 17.6 3.2 29.6 35 34 A E H X S+ 0 0 68 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.839 110.6 56.1 -65.0 -33.6 17.3 6.8 28.6 36 35 A L H X S+ 0 0 3 -4,-2.0 4,-2.8 2,-0.2 5,-0.5 0.968 113.2 39.5 -59.9 -52.7 13.4 6.5 28.4 37 36 A I H X S+ 0 0 3 -4,-2.4 4,-1.7 3,-0.2 8,-0.2 0.933 119.5 47.2 -63.4 -48.8 13.2 5.3 32.0 38 37 A N H < S+ 0 0 27 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.897 124.6 29.2 -61.4 -43.1 15.9 7.8 33.2 39 38 A N H < S+ 0 0 85 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.801 132.9 29.8 -86.7 -31.5 14.5 10.9 31.4 40 39 A E H < S+ 0 0 86 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.2 0.551 122.9 41.1-113.7 -11.2 10.8 10.1 31.4 41 40 A L >X + 0 0 29 -4,-1.7 4,-3.3 -5,-0.5 3,-1.1 0.003 70.0 124.4-125.8 31.4 10.1 7.9 34.5 42 41 A S T 34 S+ 0 0 70 1,-0.3 5,-0.2 2,-0.2 -1,-0.1 0.745 76.5 48.5 -66.5 -26.6 12.3 9.7 37.0 43 42 A H T 34 S+ 0 0 180 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.579 122.4 32.2 -90.1 -10.1 9.4 10.3 39.4 44 43 A F T <4 S+ 0 0 133 -3,-1.1 2,-0.4 1,-0.2 -2,-0.2 0.711 118.6 44.4-112.1 -37.1 8.2 6.6 39.3 45 44 A L S < S- 0 0 49 -4,-3.3 -1,-0.2 -8,-0.2 2,-0.1 -0.909 84.9-106.2-118.3 146.7 11.3 4.6 38.8 46 45 A E - 0 0 89 -2,-0.4 -3,-0.1 1,-0.1 -4,-0.0 -0.412 49.5 -95.4 -65.3 134.4 14.8 4.7 40.4 47 46 A E - 0 0 126 -5,-0.2 2,-0.6 -2,-0.1 -1,-0.1 -0.285 37.3-128.0 -48.0 130.8 17.4 6.1 38.1 48 47 A I + 0 0 11 -14,-0.2 -1,-0.1 1,-0.1 -10,-0.1 -0.771 45.0 151.4 -89.7 119.1 19.3 3.3 36.2 49 48 A K + 0 0 113 -2,-0.6 2,-0.4 -11,-0.0 -1,-0.1 0.160 52.2 71.2-129.4 10.3 23.1 3.7 36.6 50 49 A E S > S- 0 0 116 1,-0.1 4,-1.6 0, 0.0 3,-0.3 -0.972 70.7-135.7-132.8 146.2 24.4 0.1 36.4 51 50 A Q H > S+ 0 0 112 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.831 105.3 60.2 -66.8 -35.7 24.5 -2.3 33.4 52 51 A E H > S+ 0 0 151 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.808 106.4 48.9 -63.7 -26.7 23.1 -5.2 35.4 53 52 A V H > S+ 0 0 57 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.888 109.8 49.7 -79.9 -43.4 20.0 -3.1 36.0 54 53 A V H X S+ 0 0 6 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.946 113.6 47.1 -55.2 -51.0 19.7 -2.2 32.3 55 54 A D H X S+ 0 0 54 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.890 111.9 50.2 -59.2 -44.1 20.0 -5.9 31.3 56 55 A K H X S+ 0 0 111 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.884 110.1 49.0 -66.2 -40.8 17.5 -7.0 34.0 57 56 A V H X S+ 0 0 33 -4,-2.3 4,-2.4 2,-0.2 3,-0.4 0.988 113.7 46.9 -58.8 -55.1 14.9 -4.5 32.9 58 57 A M H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.3 -2,-0.2 0.920 111.0 51.8 -53.9 -50.7 15.3 -5.5 29.2 59 58 A E H < S+ 0 0 128 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.856 111.5 47.7 -50.7 -42.7 15.1 -9.2 30.1 60 59 A T H < S+ 0 0 101 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.910 119.0 38.0 -69.9 -42.2 11.9 -8.7 32.0 61 60 A L H < S+ 0 0 16 -4,-2.4 2,-2.1 1,-0.2 -2,-0.2 0.729 93.3 89.1 -78.5 -26.4 10.2 -6.6 29.3 62 61 A D >< + 0 0 22 -4,-2.6 3,-1.2 -5,-0.3 5,-0.2 -0.490 48.2 166.7 -86.1 76.2 11.5 -8.6 26.3 63 62 A S T 3 S+ 0 0 100 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.817 74.5 46.3 -58.9 -36.9 8.7 -11.2 26.1 64 63 A N T 3 S- 0 0 93 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.418 104.8-126.4 -93.0 1.0 9.7 -12.5 22.6 65 64 A G < + 0 0 60 -3,-1.2 -2,-0.1 -6,-0.1 -3,-0.1 0.658 69.5 127.2 69.1 19.2 13.5 -12.7 23.4 66 65 A D S S- 0 0 75 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.273 78.9-111.6 -89.9 11.1 14.8 -10.7 20.5 67 66 A G S S+ 0 0 38 1,-0.2 -37,-0.4 -5,-0.2 2,-0.3 0.462 88.6 81.9 79.9 -3.4 16.9 -8.3 22.7 68 67 A E S S- 0 0 43 -39,-0.1 2,-0.7 -10,-0.1 -2,-0.3 -0.855 77.6-118.9-129.3 165.9 14.8 -5.2 22.1 69 68 A C B -A 28 0A 0 -41,-3.3 -41,-3.0 -2,-0.3 -7,-0.1 -0.927 31.0-165.2-109.3 109.1 11.6 -3.8 23.4 70 69 A D > - 0 0 34 -2,-0.7 4,-2.4 -43,-0.2 -43,-0.1 -0.136 38.9 -91.1 -77.9 179.9 8.8 -3.5 20.8 71 70 A F H > S+ 0 0 68 -45,-0.4 4,-2.5 1,-0.2 5,-0.1 0.883 125.3 51.0 -65.6 -38.9 5.6 -1.4 21.2 72 71 A Q H > S+ 0 0 138 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.873 113.3 46.5 -62.0 -38.2 3.5 -4.3 22.5 73 72 A E H > S+ 0 0 6 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.854 109.6 53.6 -78.0 -31.7 6.2 -5.0 25.1 74 73 A F H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.907 106.5 53.4 -65.7 -41.9 6.4 -1.3 25.9 75 74 A M H X S+ 0 0 74 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.836 105.1 53.1 -55.9 -42.3 2.7 -1.3 26.5 76 75 A A H X S+ 0 0 60 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.839 110.0 50.4 -62.6 -32.2 2.9 -4.2 29.0 77 76 A F H X S+ 0 0 6 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.935 109.1 49.4 -72.0 -43.6 5.6 -2.1 30.7 78 77 A V H X S+ 0 0 18 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.909 110.1 52.9 -59.1 -42.4 3.3 0.9 30.9 79 78 A A H X S+ 0 0 48 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.913 108.2 48.8 -60.9 -44.3 0.6 -1.3 32.3 80 79 A M H X S+ 0 0 107 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.921 116.0 44.3 -64.5 -37.6 2.8 -2.6 35.1 81 80 A I H X S+ 0 0 18 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.939 114.3 47.9 -68.8 -48.1 3.8 1.0 35.9 82 81 A T H X S+ 0 0 85 -4,-3.3 4,-3.0 1,-0.2 -2,-0.2 0.926 112.4 49.6 -60.8 -45.8 0.3 2.4 35.7 83 82 A T H X S+ 0 0 73 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.852 108.5 52.9 -61.2 -37.5 -1.1 -0.5 37.9 84 83 A A H X S+ 0 0 56 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.896 112.2 45.3 -64.7 -36.5 1.6 0.1 40.5 85 84 A C H X S+ 0 0 40 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.917 112.0 53.4 -74.5 -40.1 0.6 3.8 40.7 86 85 A H H < S+ 0 0 139 -4,-3.0 3,-0.3 1,-0.2 -2,-0.2 0.930 111.5 43.0 -53.8 -53.4 -3.0 2.8 40.8 87 86 A E H < S+ 0 0 89 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.823 104.0 65.9 -67.7 -30.0 -2.6 0.4 43.7 88 87 A F H < S+ 0 0 165 -4,-1.7 2,-1.0 1,-0.3 -1,-0.2 0.936 105.4 47.3 -54.1 -43.5 -0.4 3.0 45.4 89 88 A F < 0 0 149 -4,-1.6 -1,-0.3 -3,-0.3 -4,-0.0 -0.680 360.0 360.0 -98.7 77.2 -3.5 5.1 45.6 90 89 A E 0 0 203 -2,-1.0 -3,-0.1 -3,-0.5 -4,-0.0 -0.889 360.0 360.0-104.5 360.0 -6.1 2.5 46.9 91 !* 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 92 0 B M 0 0 151 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.4 -7.8 2.8 6.5 93 1 B S > - 0 0 54 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.378 360.0-107.2 -83.3 166.8 -8.5 4.3 3.1 94 2 B E H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.834 121.3 53.7 -62.4 -34.1 -5.9 4.9 0.4 95 3 B L H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 110.8 44.5 -66.9 -47.8 -6.1 8.7 1.1 96 4 B E H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.896 112.3 53.2 -67.0 -38.2 -5.5 8.2 4.8 97 5 B K H X S+ 0 0 72 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.886 107.7 51.2 -56.5 -42.5 -2.8 5.8 4.0 98 6 B A H X S+ 0 0 47 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.901 108.8 51.4 -63.6 -43.5 -1.2 8.4 1.8 99 7 B V H X S+ 0 0 69 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.928 110.4 47.0 -59.0 -48.1 -1.4 11.0 4.5 100 8 B V H X S+ 0 0 81 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.846 110.3 54.3 -68.4 -28.1 0.3 8.8 7.1 101 9 B A H X S+ 0 0 56 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.885 105.7 53.4 -70.1 -39.9 3.0 7.9 4.5 102 10 B L H X S+ 0 0 48 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.933 112.5 43.1 -56.3 -53.8 3.7 11.7 4.0 103 11 B I H X S+ 0 0 78 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.965 113.9 53.1 -53.2 -53.2 4.2 12.2 7.7 104 12 B D H X S+ 0 0 93 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.920 110.7 43.9 -52.6 -52.3 6.3 8.9 7.9 105 13 B V H X S+ 0 0 25 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.900 111.6 53.6 -65.9 -39.5 8.8 9.8 5.1 106 14 B F H X S+ 0 0 1 -4,-1.8 4,-2.8 -5,-0.3 5,-0.3 0.921 113.3 43.1 -61.0 -41.7 9.3 13.4 6.3 107 15 B H H X S+ 0 0 81 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.851 105.8 60.3 -78.4 -29.8 10.2 12.2 9.8 108 16 B Q H < S+ 0 0 76 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.956 119.4 31.4 -51.6 -49.9 12.4 9.3 8.6 109 17 B Y H >< S+ 0 0 7 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.898 116.4 52.0 -80.2 -47.0 14.6 12.1 6.9 110 18 B S H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 8,-0.4 0.836 105.0 60.1 -59.6 -32.4 14.2 15.2 9.1 111 19 B G T 3< S+ 0 0 41 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.530 82.6 84.3 -80.1 -3.1 15.2 13.1 12.2 112 20 B R T < S+ 0 0 127 -3,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.898 99.3 3.6 -64.9 -43.1 18.6 12.1 10.9 113 21 B E S < S- 0 0 94 -3,-0.7 5,-0.2 -4,-0.3 7,-0.2 -0.979 109.1 -18.6-150.1 151.4 20.6 15.2 11.9 114 22 B G S S+ 0 0 72 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.147 120.8 27.4 54.9-136.8 20.3 18.5 13.8 115 23 B D S > S- 0 0 68 1,-0.2 3,-0.8 2,-0.1 -2,-0.3 -0.357 73.1-152.5 -54.0 121.2 16.8 19.7 14.2 116 24 B K T 3 S+ 0 0 82 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 0.524 92.2 51.0 -81.5 -3.2 14.8 16.4 14.2 117 25 B H T 3 S+ 0 0 114 -7,-0.1 45,-0.4 -6,-0.1 2,-0.3 0.299 104.7 61.5-112.2 2.5 11.7 18.3 12.8 118 26 B K S < S- 0 0 39 -3,-0.8 2,-0.6 -8,-0.4 -5,-0.2 -0.948 76.8-126.1-124.9 152.9 13.4 20.1 9.8 119 27 B L B -B 160 0B 0 41,-2.6 41,-2.4 -2,-0.3 -9,-0.1 -0.890 23.0-159.6 -92.6 116.7 15.2 18.8 6.7 120 28 B K > - 0 0 70 -2,-0.6 4,-2.9 39,-0.2 5,-0.2 -0.375 42.1 -88.4 -77.1 173.7 18.7 20.3 6.3 121 29 B K H > S+ 0 0 82 37,-0.3 4,-3.1 1,-0.2 5,-0.2 0.871 127.8 50.3 -49.6 -49.6 20.2 20.1 2.8 122 30 B S H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 113.5 46.1 -63.7 -41.7 21.8 16.7 3.2 123 31 B E H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.921 112.7 50.1 -64.0 -43.1 18.5 15.2 4.4 124 32 B L H X S+ 0 0 3 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.951 109.1 53.1 -60.0 -47.7 16.5 16.9 1.6 125 33 B K H X S+ 0 0 65 -4,-3.1 4,-2.7 1,-0.2 14,-0.3 0.927 110.3 46.1 -52.1 -46.6 19.0 15.5 -0.9 126 34 B E H X S+ 0 0 73 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.844 108.9 56.0 -70.4 -30.1 18.7 11.9 0.3 127 35 B L H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 5,-0.4 0.944 112.4 40.6 -67.2 -50.6 14.9 12.2 0.4 128 36 B I H X S+ 0 0 4 -4,-2.2 4,-1.7 3,-0.2 8,-0.2 0.922 118.7 47.4 -60.0 -47.1 14.7 13.2 -3.3 129 37 B N H < S+ 0 0 26 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.902 123.9 30.1 -67.0 -40.5 17.4 10.7 -4.4 130 38 B N H < S+ 0 0 83 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.812 132.2 28.8 -85.1 -34.0 15.9 7.8 -2.5 131 39 B E H < S+ 0 0 92 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.582 121.0 43.6-113.6 -13.1 12.2 8.5 -2.5 132 40 B L >X + 0 0 28 -4,-1.7 4,-2.8 -5,-0.4 3,-1.0 -0.019 66.5 128.6-125.6 34.7 11.5 10.5 -5.6 133 41 B S T 34 S+ 0 0 78 1,-0.3 5,-0.2 2,-0.2 -1,-0.1 0.658 76.4 47.9 -70.3 -21.5 13.6 8.6 -8.2 134 42 B H T 34 S+ 0 0 178 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.666 120.9 35.9 -89.6 -15.7 10.6 8.3 -10.6 135 43 B F T <4 S+ 0 0 123 -3,-1.0 2,-0.4 1,-0.2 -2,-0.2 0.711 116.8 38.9-109.1 -29.9 9.6 11.9 -10.4 136 44 B L S < S- 0 0 63 -4,-2.8 -1,-0.2 -8,-0.2 3,-0.1 -0.975 83.1-106.0-131.6 146.2 12.8 13.9 -10.1 137 45 B E - 0 0 186 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.0 -0.384 52.4 -93.6 -66.6 138.6 16.2 13.7 -11.6 138 46 B E - 0 0 115 -5,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.264 39.6-122.1 -53.2 139.1 18.8 12.3 -9.2 139 47 B I + 0 0 10 -14,-0.3 -1,-0.1 1,-0.1 -10,-0.1 -0.780 47.0 151.3 -92.4 120.4 20.7 15.1 -7.4 140 48 B K + 0 0 155 -2,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.397 51.2 70.2-124.9 -6.5 24.5 15.0 -7.9 141 49 B E > - 0 0 107 1,-0.1 4,-2.0 0, 0.0 3,-0.4 -0.965 68.2-138.3-119.2 140.3 25.7 18.7 -7.6 142 50 B Q H > S+ 0 0 117 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.829 106.4 62.7 -55.1 -37.6 25.8 20.9 -4.5 143 51 B E H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 105.7 44.5 -57.5 -41.6 24.5 23.7 -6.7 144 52 B V H > S+ 0 0 47 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.912 111.7 51.8 -71.0 -43.8 21.3 21.8 -7.3 145 53 B V H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.935 112.5 47.7 -53.0 -48.6 21.0 20.8 -3.6 146 54 B D H X S+ 0 0 58 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.901 113.4 46.1 -61.6 -46.9 21.4 24.6 -2.8 147 55 B K H X S+ 0 0 111 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.871 110.7 52.0 -66.9 -42.2 18.8 25.7 -5.3 148 56 B V H X S+ 0 0 32 -4,-2.8 4,-2.7 2,-0.2 3,-0.3 0.990 113.9 44.5 -56.8 -55.8 16.2 23.1 -4.4 149 57 B M H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.898 111.6 54.2 -53.3 -44.9 16.6 24.2 -0.7 150 58 B E H < S+ 0 0 121 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.911 110.9 45.0 -55.7 -45.6 16.5 27.8 -1.8 151 59 B T H < S+ 0 0 88 -4,-2.5 -2,-0.2 -3,-0.3 -1,-0.2 0.887 118.7 41.8 -67.4 -42.4 13.2 27.3 -3.7 152 60 B L H < S+ 0 0 7 -4,-2.7 2,-1.6 -5,-0.2 -1,-0.2 0.659 91.6 89.4 -76.8 -19.2 11.5 25.2 -0.9 153 61 B D >< + 0 0 23 -4,-1.8 3,-1.0 -5,-0.2 5,-0.2 -0.609 47.8 165.5 -91.5 79.6 12.7 27.4 2.0 154 62 B S T 3 S+ 0 0 101 -2,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.890 73.3 46.5 -60.0 -46.5 9.9 29.9 2.2 155 63 B N T 3 S- 0 0 95 -3,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.356 105.4-125.0 -87.8 6.9 10.6 31.3 5.7 156 64 B G S < S+ 0 0 61 -3,-1.0 -2,-0.1 -6,-0.1 -1,-0.1 0.674 71.7 124.7 63.7 24.4 14.4 31.7 4.9 157 65 B D S S- 0 0 70 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.255 79.6-113.4 -96.2 12.5 15.8 29.7 7.9 158 66 B G S S+ 0 0 38 1,-0.2 -37,-0.3 -5,-0.2 2,-0.3 0.499 87.4 84.8 73.2 1.3 17.9 27.4 5.6 159 67 B E S S- 0 0 48 -39,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.847 76.9-120.8-125.2 166.0 15.9 24.2 6.4 160 68 B C B -B 119 0B 0 -41,-2.4 -41,-2.6 -2,-0.3 -7,-0.1 -0.936 31.5-163.2-108.1 112.5 12.7 22.7 5.0 161 69 B D > - 0 0 29 -2,-0.6 4,-2.9 -43,-0.2 5,-0.2 -0.165 37.9 -91.0 -84.2-176.4 10.1 22.3 7.7 162 70 B F H > S+ 0 0 73 -45,-0.4 4,-2.4 1,-0.2 5,-0.1 0.912 127.1 49.0 -66.8 -39.0 6.9 20.1 7.5 163 71 B Q H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 113.3 46.7 -61.9 -46.9 4.8 22.9 6.0 164 72 B E H > S+ 0 0 6 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.863 110.9 52.9 -66.1 -35.3 7.5 23.7 3.5 165 73 B F H X S+ 0 0 7 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.898 105.8 53.6 -64.4 -41.3 7.8 20.0 2.7 166 74 B M H X S+ 0 0 66 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.880 105.9 53.3 -62.9 -38.7 4.0 19.8 2.1 167 75 B A H X S+ 0 0 42 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.855 109.2 49.9 -57.9 -37.6 4.3 22.7 -0.4 168 76 B F H X S+ 0 0 15 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.928 108.7 51.1 -70.9 -43.7 6.9 20.6 -2.2 169 77 B V H X S+ 0 0 23 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.927 107.8 53.1 -57.8 -44.2 4.7 17.6 -2.2 170 78 B A H X S+ 0 0 52 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.927 109.1 50.3 -57.3 -43.6 1.9 19.8 -3.7 171 79 B M H X S+ 0 0 98 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.928 113.8 43.1 -58.6 -49.8 4.3 20.9 -6.5 172 80 B I H X S+ 0 0 20 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.913 114.9 49.8 -65.0 -42.9 5.3 17.3 -7.4 173 81 B T H X S+ 0 0 81 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.919 111.0 50.1 -63.6 -40.8 1.7 16.1 -7.1 174 82 B T H X S+ 0 0 65 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.907 108.0 52.6 -66.0 -41.9 0.6 18.9 -9.4 175 83 B A H < S+ 0 0 51 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.906 113.4 45.0 -55.2 -43.4 3.3 18.1 -12.0 176 84 B C H >< S+ 0 0 28 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.864 112.2 51.0 -71.0 -35.9 2.1 14.5 -12.0 177 85 B H H >< S+ 0 0 115 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.851 105.7 55.5 -69.0 -37.8 -1.6 15.5 -12.2 178 86 B E T 3< S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.492 83.0 82.4 -80.7 -7.5 -1.0 17.8 -15.2 179 87 B F T < S+ 0 0 149 -3,-0.5 -1,-0.3 -4,-0.5 2,-0.2 0.635 103.9 36.2 -59.0 -18.9 0.6 15.0 -17.2 180 88 B F < 0 0 156 -3,-1.2 0, 0.0 -4,-0.1 0, 0.0 -0.735 360.0 360.0-124.8 173.5 -3.2 14.2 -17.9 181 89 B E 0 0 227 -2,-0.2 -1,-0.1 0, 0.0 -3,-0.1 0.223 360.0 360.0 152.9 360.0 -6.6 16.0 -18.4