==== 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 METAL BINDING PROTEIN 20-AUG-09 3IQO . COMPND 2 MOLECULE: PROTEIN S100-B; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.H.CHARPENTIER,D.J.WEBER,E.A.TOTH . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 69.3 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 2.3 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 56.8 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 0 2 2 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 1 A S > 0 0 86 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 164.6 8.6 -5.7 -2.9 2 2 A E H > + 0 0 149 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.885 360.0 54.2 -58.0 -35.6 5.9 -5.1 -0.3 3 3 A L H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 108.7 46.8 -64.5 -43.8 6.1 -1.4 -1.1 4 4 A E H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 111.7 51.5 -63.3 -40.5 5.6 -2.0 -4.8 5 5 A K H X S+ 0 0 149 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.847 108.6 52.2 -63.7 -34.1 2.6 -4.3 -4.0 6 6 A A H X S+ 0 0 37 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.939 108.6 49.7 -67.5 -45.2 1.2 -1.5 -1.8 7 7 A V H X S+ 0 0 74 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.923 111.9 48.5 -58.6 -45.3 1.5 1.0 -4.7 8 8 A V H X S+ 0 0 96 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.898 109.6 53.0 -62.6 -39.8 -0.3 -1.4 -7.0 9 9 A A H X S+ 0 0 54 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.877 106.0 52.7 -64.6 -37.6 -3.0 -2.0 -4.4 10 10 A L H X S+ 0 0 49 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.915 112.6 45.2 -66.0 -40.4 -3.7 1.7 -4.0 11 11 A I H X S+ 0 0 73 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.940 114.8 48.4 -65.4 -46.1 -4.2 2.1 -7.8 12 12 A D H X S+ 0 0 79 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.900 110.9 47.7 -64.3 -45.5 -6.3 -1.0 -8.1 13 13 A V H X S+ 0 0 29 -4,-2.7 4,-1.9 2,-0.2 5,-0.3 0.922 111.6 51.8 -67.0 -40.2 -8.7 -0.2 -5.2 14 14 A F H X S+ 0 0 1 -4,-1.9 4,-3.2 -5,-0.3 5,-0.2 0.939 112.6 45.1 -59.9 -45.4 -9.2 3.4 -6.5 15 15 A H H X S+ 0 0 85 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.823 106.7 58.5 -70.2 -31.4 -10.1 2.1 -9.9 16 16 A Q H < S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.932 119.1 31.8 -58.6 -47.6 -12.4 -0.7 -8.7 17 17 A Y H >< S+ 0 0 9 -4,-1.9 3,-1.3 1,-0.2 4,-0.4 0.892 116.3 53.2 -82.9 -39.4 -14.5 2.0 -6.9 18 18 A S H 3< S+ 0 0 0 -4,-3.2 8,-0.5 -5,-0.3 3,-0.4 0.809 103.9 60.4 -65.0 -28.4 -14.1 5.0 -9.2 19 19 A G T 3< S+ 0 0 40 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 0.467 82.4 84.5 -80.3 -3.0 -15.2 2.9 -12.2 20 20 A R S < S- 0 0 125 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.926 99.7 -1.7 -69.1 -48.4 -18.7 2.0 -10.9 21 21 A E S S- 0 0 108 -3,-0.4 7,-0.2 -4,-0.4 -1,-0.2 -0.943 109.0 -12.1-142.4 159.7 -20.6 5.0 -11.9 22 22 A G S S+ 0 0 64 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.140 119.2 25.2 54.3-135.9 -20.3 8.4 -13.7 23 23 A D S > S- 0 0 61 1,-0.2 3,-1.0 2,-0.1 -2,-0.3 -0.408 72.7-150.1 -59.6 124.7 -16.8 9.6 -14.2 24 24 A K T 3 S+ 0 0 90 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.1 0.607 93.2 50.5 -77.9 -6.5 -14.8 6.4 -14.3 25 25 A H T 3 S+ 0 0 88 -6,-0.1 45,-0.5 -7,-0.1 2,-0.3 0.245 105.9 58.8-112.8 10.8 -11.7 8.2 -12.8 26 26 A K S < S- 0 0 53 -3,-1.0 2,-0.6 -8,-0.5 43,-0.2 -0.979 76.6-121.8-136.2 154.0 -13.3 9.9 -9.8 27 27 A L B -A 68 0A 0 41,-3.0 41,-2.7 -2,-0.3 2,-0.1 -0.843 22.5-159.6 -94.1 118.4 -15.2 8.7 -6.8 28 28 A K > - 0 0 44 -2,-0.6 4,-2.6 39,-0.2 5,-0.3 -0.390 42.8 -89.7 -79.2 170.8 -18.7 10.2 -6.3 29 29 A K H > S+ 0 0 83 37,-0.3 4,-2.8 1,-0.2 5,-0.2 0.894 127.4 50.2 -51.3 -48.8 -20.2 10.1 -2.8 30 30 A S H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 112.8 47.5 -60.0 -37.7 -21.8 6.6 -3.2 31 31 A E H > S+ 0 0 2 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.913 113.0 47.2 -69.7 -41.2 -18.5 5.2 -4.5 32 32 A L H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.910 110.1 54.6 -65.6 -41.4 -16.4 6.8 -1.6 33 33 A K H X S+ 0 0 66 -4,-2.8 4,-2.6 -5,-0.3 14,-0.3 0.941 111.0 44.6 -57.7 -49.1 -19.0 5.5 0.9 34 34 A E H X S+ 0 0 75 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.877 110.3 54.4 -66.2 -38.1 -18.6 1.9 -0.3 35 35 A L H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 5,-0.5 0.964 112.9 42.9 -57.7 -50.3 -14.8 2.1 -0.5 36 36 A I H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.935 117.9 44.9 -61.3 -48.4 -14.7 3.2 3.2 37 37 A N H < S+ 0 0 24 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.851 123.9 33.0 -67.2 -35.4 -17.3 0.7 4.4 38 38 A N H < S+ 0 0 82 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.799 131.2 27.8 -90.7 -33.5 -15.9 -2.3 2.5 39 39 A E H < S+ 0 0 105 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.550 122.5 42.0-111.7 -10.8 -12.2 -1.6 2.5 40 40 A L >X + 0 0 32 -4,-1.7 4,-2.4 -5,-0.5 3,-1.4 0.054 66.7 127.3-127.4 29.8 -11.4 0.5 5.6 41 41 A S T 34 S+ 0 0 81 1,-0.3 5,-0.1 2,-0.2 -1,-0.1 0.709 75.1 51.8 -64.9 -24.7 -13.6 -1.3 8.2 42 42 A H T 34 S+ 0 0 174 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.684 119.6 33.5 -80.0 -20.6 -10.6 -1.7 10.6 43 43 A F T <4 S+ 0 0 126 -3,-1.4 2,-0.4 1,-0.2 -2,-0.2 0.644 117.7 42.0-110.0 -22.2 -9.6 2.0 10.5 44 44 A L S < S- 0 0 54 -4,-2.4 -1,-0.2 -8,-0.2 2,-0.1 -0.977 82.0-106.5-135.6 144.0 -12.8 3.9 10.2 45 45 A E - 0 0 181 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.0 -0.412 52.3 -95.0 -62.2 139.4 -16.3 3.7 11.7 46 46 A E - 0 0 126 -5,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.313 38.5-122.7 -56.0 136.1 -18.9 2.4 9.2 47 47 A I + 0 0 8 -14,-0.3 -1,-0.1 1,-0.1 -10,-0.1 -0.783 46.3 153.9 -87.8 118.2 -20.7 5.2 7.4 48 48 A K + 0 0 139 -2,-0.6 2,-0.4 1,-0.1 -1,-0.1 0.228 51.6 66.8-126.2 6.8 -24.4 5.0 8.0 49 49 A E S >> S- 0 0 127 1,-0.1 4,-1.8 0, 0.0 3,-0.9 -1.000 70.7-134.1-136.9 138.7 -25.7 8.6 7.6 50 50 A Q H 3> S+ 0 0 121 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.838 106.8 62.2 -53.8 -38.1 -25.8 11.0 4.7 51 51 A E H 3> S+ 0 0 158 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.855 105.3 45.6 -58.8 -37.2 -24.4 13.8 6.9 52 52 A V H <> S+ 0 0 65 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.904 111.6 50.7 -77.0 -42.1 -21.2 11.8 7.4 53 53 A V H X S+ 0 0 8 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.950 112.6 48.6 -55.5 -48.8 -20.9 10.9 3.7 54 54 A D H X S+ 0 0 58 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.906 112.0 47.5 -59.5 -44.4 -21.3 14.6 2.9 55 55 A K H X S+ 0 0 130 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.891 110.8 51.1 -70.0 -39.8 -18.7 15.7 5.5 56 56 A V H X S+ 0 0 35 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.948 113.1 45.8 -60.2 -50.1 -16.1 13.2 4.4 57 57 A M H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.921 110.5 53.3 -60.3 -45.9 -16.5 14.3 0.7 58 58 A E H < S+ 0 0 135 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.898 111.3 47.8 -54.2 -40.9 -16.3 17.9 1.7 59 59 A T H < S+ 0 0 80 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.6 38.9 -66.3 -45.3 -13.1 17.2 3.6 60 60 A L H < S+ 0 0 7 -4,-2.2 2,-1.9 1,-0.2 -2,-0.2 0.759 93.4 88.8 -79.9 -28.1 -11.4 15.2 0.8 61 61 A D >< + 0 0 24 -4,-2.7 3,-0.9 -5,-0.2 -1,-0.2 -0.477 45.8 163.5 -79.1 80.0 -12.6 17.3 -2.2 62 62 A S T 3 S+ 0 0 107 -2,-1.9 -1,-0.2 1,-0.2 6,-0.1 0.834 73.8 48.3 -64.1 -36.8 -9.8 19.9 -2.4 63 63 A D T 3 S- 0 0 88 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.407 104.0-128.0 -91.2 2.6 -10.7 21.1 -5.9 64 64 A G S < S+ 0 0 58 -3,-0.9 -2,-0.1 -6,-0.1 -3,-0.1 0.504 70.4 123.9 69.7 11.9 -14.4 21.5 -5.2 65 65 A D S S- 0 0 80 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.424 82.1-112.3 -81.9 3.2 -15.9 19.5 -8.1 66 66 A G S S+ 0 0 39 1,-0.3 -37,-0.3 -5,-0.1 2,-0.3 0.546 87.2 87.7 81.6 7.2 -17.9 17.3 -5.6 67 67 A E S S- 0 0 42 -39,-0.1 2,-0.7 -10,-0.1 -2,-0.3 -0.894 76.5-117.9-135.1 161.8 -15.9 14.2 -6.4 68 68 A C B -A 27 0A 0 -41,-2.7 -41,-3.0 -2,-0.3 -7,-0.1 -0.902 31.8-167.1-105.4 111.6 -12.7 12.6 -5.2 69 69 A D > - 0 0 37 -2,-0.7 4,-2.5 -43,-0.2 5,-0.2 -0.273 40.7 -88.7 -87.4-178.2 -10.0 12.2 -7.9 70 70 A F H > S+ 0 0 63 -45,-0.5 4,-2.5 1,-0.2 5,-0.2 0.909 126.4 49.0 -62.4 -40.1 -6.9 10.2 -7.6 71 71 A Q H > S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 112.4 48.7 -65.6 -38.3 -4.7 12.9 -6.1 72 72 A E H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.871 109.5 53.1 -68.2 -36.0 -7.4 13.6 -3.5 73 73 A F H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.909 106.3 52.8 -63.7 -46.3 -7.7 9.9 -2.7 74 74 A M H X S+ 0 0 55 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.893 107.5 52.2 -56.2 -39.8 -3.8 9.7 -2.2 75 75 A A H X S+ 0 0 50 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.894 109.2 50.2 -63.0 -40.1 -4.2 12.6 0.3 76 76 A F H X S+ 0 0 14 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.934 109.5 49.8 -59.6 -47.6 -6.9 10.6 2.1 77 77 A V H X S+ 0 0 27 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.916 108.6 53.7 -58.9 -41.6 -4.7 7.5 2.2 78 78 A A H X S+ 0 0 51 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.904 107.9 51.0 -62.1 -38.5 -1.9 9.7 3.7 79 79 A M H X S+ 0 0 99 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.931 113.4 44.3 -59.6 -47.9 -4.3 10.9 6.4 80 80 A I H X S+ 0 0 24 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.930 114.4 48.5 -63.7 -48.3 -5.3 7.3 7.3 81 81 A T H X S+ 0 0 83 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.909 111.9 48.8 -63.1 -42.3 -1.7 6.1 7.2 82 82 A T H X S+ 0 0 71 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.911 108.9 53.0 -65.0 -42.6 -0.5 9.0 9.4 83 83 A A H X S+ 0 0 64 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.824 113.5 45.2 -58.8 -33.4 -3.3 8.4 12.0 84 84 A C H X S+ 0 0 42 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.891 109.0 52.6 -77.3 -44.7 -2.2 4.8 12.1 85 85 A H H < S+ 0 0 150 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.734 118.6 41.0 -59.1 -24.6 1.6 5.5 12.4 86 86 A E H < S+ 0 0 147 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.608 93.6 73.3-106.7 -17.1 0.6 7.8 15.3 87 87 A F H < 0 0 181 -4,-1.2 -2,-0.2 -5,-0.1 -3,-0.1 0.850 360.0 360.0 -56.6 -34.7 -2.0 5.7 17.1 88 88 A F < 0 0 208 -4,-1.1 -3,-0.2 -5,-0.1 -2,-0.2 0.191 360.0 360.0-169.3 360.0 1.3 4.0 17.9 89 !* 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 90 1 B S > 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 155.2 10.1 4.4 -25.8 91 2 B E H > + 0 0 171 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.879 360.0 52.2 -57.0 -37.9 7.5 3.9 -28.6 92 3 B L H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 108.6 49.3 -67.7 -43.6 7.5 0.2 -27.9 93 4 B E H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.906 108.9 52.5 -61.9 -41.2 6.9 0.7 -24.2 94 5 B K H X S+ 0 0 113 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.873 109.0 51.3 -62.7 -32.8 4.0 3.0 -24.9 95 6 B A H X S+ 0 0 45 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.928 107.8 52.2 -67.8 -43.8 2.6 0.3 -27.2 96 7 B V H X S+ 0 0 77 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.945 112.6 44.3 -55.4 -50.5 2.9 -2.4 -24.4 97 8 B V H X S+ 0 0 79 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.891 109.2 57.4 -65.9 -34.3 1.0 -0.1 -22.0 98 9 B A H X S+ 0 0 44 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.863 104.3 52.3 -64.6 -37.2 -1.6 0.7 -24.6 99 10 B L H X S+ 0 0 53 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.912 113.6 42.9 -63.3 -43.2 -2.4 -3.0 -25.0 100 11 B I H X S+ 0 0 79 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.918 115.1 51.0 -66.6 -43.5 -2.9 -3.4 -21.3 101 12 B D H X S+ 0 0 87 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.932 111.5 45.1 -62.5 -48.1 -4.9 -0.2 -21.1 102 13 B V H X S+ 0 0 45 -4,-2.8 4,-1.4 1,-0.2 5,-0.2 0.910 110.9 54.0 -68.7 -38.2 -7.3 -0.9 -23.9 103 14 B F H X S+ 0 0 1 -4,-1.8 4,-3.2 -5,-0.3 3,-0.3 0.918 112.2 44.3 -59.2 -44.4 -7.9 -4.5 -22.6 104 15 B H H X S+ 0 0 78 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.837 104.8 61.8 -75.5 -26.1 -8.8 -3.2 -19.2 105 16 B Q H < S+ 0 0 55 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.844 119.2 28.8 -59.0 -34.7 -11.0 -0.4 -20.6 106 17 B Y H >< S+ 0 0 10 -4,-1.4 3,-1.3 -3,-0.3 4,-0.4 0.850 118.8 52.7 -96.2 -40.0 -13.2 -3.1 -22.2 107 18 B S H 3< S+ 0 0 0 -4,-3.2 8,-0.5 1,-0.3 3,-0.3 0.818 105.0 57.9 -69.1 -29.4 -12.8 -6.0 -19.8 108 19 B G T 3< S+ 0 0 27 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.410 85.1 85.0 -80.0 0.5 -13.7 -3.9 -16.8 109 20 B R S < S- 0 0 109 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.970 99.6 -0.6 -66.7 -53.6 -17.1 -2.9 -18.1 110 21 B E S S- 0 0 83 -4,-0.4 5,-0.2 -3,-0.3 -1,-0.2 -0.915 108.0 -15.6-139.0 155.6 -19.2 -5.9 -17.0 111 22 B G S S+ 0 0 63 -2,-0.3 2,-0.3 -3,-0.1 5,-0.0 -0.146 117.9 27.0 59.5-138.0 -18.9 -9.2 -15.2 112 23 B D S > S- 0 0 59 1,-0.2 3,-1.0 2,-0.1 -2,-0.3 -0.490 72.9-151.9 -57.8 120.9 -15.5 -10.6 -14.7 113 24 B K T 3 S+ 0 0 86 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.604 91.9 54.6 -75.2 -8.2 -13.3 -7.4 -14.7 114 25 B H T 3 S+ 0 0 113 -6,-0.1 45,-0.4 -7,-0.0 2,-0.3 0.354 105.8 56.3-107.1 -1.2 -10.3 -9.4 -16.0 115 26 B K S < S- 0 0 48 -3,-1.0 2,-0.6 -8,-0.5 43,-0.2 -0.949 74.7-123.1-135.3 152.9 -12.0 -10.9 -19.0 116 27 B L B -B 157 0B 0 41,-2.9 41,-2.8 -2,-0.3 2,-0.1 -0.872 23.5-159.4 -93.4 118.2 -13.9 -9.8 -22.2 117 28 B K > - 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0 0 34 -2,-0.7 4,-2.6 -43,-0.2 5,-0.2 -0.258 40.5 -90.1 -88.9-178.5 -8.7 -13.4 -21.1 159 70 B F H > S+ 0 0 69 -45,-0.4 4,-2.6 1,-0.2 5,-0.2 0.910 125.8 49.8 -65.3 -39.7 -5.6 -11.3 -21.4 160 71 B Q H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 112.6 48.1 -64.1 -40.3 -3.5 -14.1 -22.9 161 72 B E H > S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 110.2 52.3 -69.2 -38.4 -6.2 -14.9 -25.4 162 73 B F H X S+ 0 0 10 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.906 106.4 53.3 -61.7 -45.3 -6.4 -11.2 -26.3 163 74 B M H X S+ 0 0 63 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.892 106.9 52.7 -57.0 -38.6 -2.6 -11.0 -26.9 164 75 B A H X S+ 0 0 47 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.890 109.1 49.6 -63.0 -36.7 -3.0 -13.9 -29.3 165 76 B F H X S+ 0 0 16 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.936 109.9 50.3 -65.6 -44.3 -5.7 -11.9 -31.1 166 77 B V H X S+ 0 0 23 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.920 108.7 53.0 -60.8 -41.9 -3.3 -8.9 -31.2 167 78 B A H X S+ 0 0 51 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.902 107.0 52.5 -60.5 -40.6 -0.6 -11.1 -32.6 168 79 B M H X S+ 0 0 94 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.933 114.0 42.3 -59.0 -47.2 -3.0 -12.3 -35.4 169 80 B I H X S+ 0 0 23 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.928 115.9 47.3 -66.3 -47.2 -3.8 -8.8 -36.4 170 81 B T H X S+ 0 0 83 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.905 112.0 49.9 -65.2 -41.1 -0.3 -7.4 -36.2 171 82 B T H X S+ 0 0 79 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.887 109.4 52.8 -65.8 -38.3 1.2 -10.4 -38.2 172 83 B A H X S+ 0 0 58 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.898 110.9 46.8 -62.1 -41.1 -1.5 -9.9 -40.9 173 84 B C H X S+ 0 0 33 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.920 112.2 49.9 -68.4 -41.8 -0.5 -6.2 -41.2 174 85 B H H < S+ 0 0 149 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.917 111.3 49.0 -58.2 -46.6 3.2 -7.1 -41.3 175 86 B E H < S+ 0 0 159 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 107.1 56.8 -63.3 -34.6 2.5 -9.7 -44.0 176 87 B F H < 0 0 168 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.871 360.0 360.0 -66.3 -39.0 0.5 -7.1 -46.0 177 88 B F < 0 0 193 -4,-1.6 0, 0.0 -3,-0.2 0, 0.0 -0.740 360.0 360.0 -96.1 360.0 3.4 -4.7 -46.2