==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 27-SEP-01 1K2H . COMPND 2 MOLECULE: S-100 PROTEIN, ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR R.R.RUSTANDI,D.M.BALDISSERI,K.G.INMAN,P.NIZNER,S.M.HAMILTON, . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 76.3 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 . 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 . 6 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 53.8 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 2 0 0 0 0 0 2 0 2 2 0 0 2 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 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 G 0 0 85 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -22.8 55.5 5.5 -5.9 2 2 A S > - 0 0 21 132,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.338 360.0-105.7 -80.0 167.3 57.5 3.0 -8.0 3 3 A E H > S+ 0 0 123 2,-0.2 4,-1.3 1,-0.2 105,-0.1 0.960 123.1 37.1 -60.0 -49.2 58.5 -0.4 -6.5 4 4 A L H > S+ 0 0 7 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.921 118.3 51.1 -70.0 -40.4 62.2 0.7 -6.1 5 5 A E H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.903 104.8 57.7 -62.9 -39.3 61.2 4.2 -5.1 6 6 A T H X S+ 0 0 68 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.909 100.6 57.2 -59.8 -39.8 58.8 2.9 -2.5 7 7 A A H X S+ 0 0 10 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.901 101.4 56.7 -59.9 -39.2 61.7 1.0 -0.8 8 8 A M H X S+ 0 0 34 -4,-1.2 4,-1.3 -3,-0.3 -1,-0.2 0.940 107.6 47.0 -60.1 -45.8 63.6 4.3 -0.3 9 9 A E H X S+ 0 0 96 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.912 109.8 53.5 -64.9 -40.0 60.7 6.0 1.6 10 10 A T H X S+ 0 0 69 -4,-1.9 4,-1.9 1,-0.2 5,-0.2 0.909 103.6 56.6 -63.1 -40.2 60.3 2.9 3.9 11 11 A L H X S+ 0 0 21 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.908 104.4 52.3 -60.4 -39.9 63.9 2.9 4.9 12 12 A I H X S+ 0 0 53 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.921 107.5 52.4 -64.1 -40.8 63.8 6.5 6.1 13 13 A N H X S+ 0 0 110 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.913 110.2 46.8 -63.3 -41.6 60.7 5.7 8.3 14 14 A V H X S+ 0 0 10 -4,-1.9 4,-1.2 1,-0.2 3,-0.4 0.866 103.0 63.3 -70.9 -31.7 62.4 2.7 10.1 15 15 A F H X S+ 0 0 20 -4,-1.8 4,-3.2 1,-0.3 5,-0.5 0.929 98.8 56.7 -57.9 -38.6 65.6 4.8 10.7 16 16 A H H X S+ 0 0 97 -4,-1.4 4,-2.9 3,-0.2 -1,-0.3 0.888 94.4 68.3 -60.1 -36.0 63.4 7.0 12.8 17 17 A A H < S+ 0 0 53 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.968 118.6 18.8 -49.6 -57.6 62.5 3.9 14.8 18 18 A H H < S+ 0 0 60 -4,-1.2 3,-0.4 1,-0.2 -2,-0.2 0.932 138.0 36.9 -79.9 -47.8 66.1 3.6 16.2 19 19 A S H >< S+ 0 0 2 -4,-3.2 3,-1.2 -5,-0.2 -3,-0.2 0.592 85.4 101.0 -81.0 -9.9 67.3 7.2 15.5 20 20 A G T 3< + 0 0 18 -4,-2.9 -1,-0.2 -5,-0.5 -4,-0.1 0.421 40.6 115.8 -59.6 13.4 63.9 8.8 16.3 21 21 A K T 3 S- 0 0 161 -3,-0.4 -1,-0.3 3,-0.3 -2,-0.1 0.786 82.5-132.9 -53.5 -17.6 65.5 9.7 19.7 22 22 A E S < S+ 0 0 124 -3,-1.2 3,-0.2 2,-0.1 -1,-0.2 0.087 88.4 82.2 85.6 -21.3 64.9 13.1 18.2 23 23 A G S S+ 0 0 52 1,-0.3 2,-0.8 -4,-0.1 3,-0.1 0.938 103.8 11.2 -74.8 -84.4 68.4 14.1 19.2 24 24 A D - 0 0 112 1,-0.2 -1,-0.3 2,-0.1 -3,-0.3 -0.823 60.4-171.1 -98.4 110.0 70.7 12.8 16.4 25 25 A K + 0 0 125 -2,-0.8 -1,-0.2 -3,-0.2 -6,-0.1 0.746 60.5 105.7 -70.0 -18.2 68.6 11.6 13.5 26 26 A Y S S- 0 0 113 1,-0.2 44,-0.3 -3,-0.1 3,-0.1 0.064 99.9 -95.5 -50.0 173.0 71.9 10.2 12.1 27 27 A K S S- 0 0 3 42,-3.0 43,-0.2 1,-0.3 6,-0.2 0.286 70.4-113.6 -82.0 19.1 72.3 6.4 12.4 28 28 A L - 0 0 27 41,-0.5 41,-1.7 4,-0.1 -1,-0.3 -0.167 56.4 -27.8 81.6-176.1 74.1 7.1 15.7 29 29 A S > - 0 0 51 39,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.352 65.9-113.2 -67.7 150.9 77.8 6.6 16.5 30 30 A K H > S+ 0 0 34 34,-0.3 4,-1.7 37,-0.2 5,-0.2 0.882 115.5 60.3 -56.4 -36.7 79.4 3.7 14.6 31 31 A K H > S+ 0 0 132 34,-3.9 4,-1.1 33,-0.2 -1,-0.2 0.942 112.1 37.3 -60.1 -44.2 79.8 1.7 17.8 32 32 A E H >> S+ 0 0 98 33,-0.4 4,-2.0 -3,-0.4 3,-0.9 0.983 109.6 58.2 -73.5 -56.1 76.0 1.7 18.4 33 33 A L H 3X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.3 5,-0.4 0.872 106.9 52.3 -43.1 -39.4 74.7 1.3 14.8 34 34 A K H 3X S+ 0 0 19 -4,-1.7 4,-2.0 -5,-0.3 5,-0.3 0.925 105.6 52.9 -66.6 -40.3 76.7 -1.9 14.6 35 35 A D H < S+ 0 0 96 -4,-0.7 3,-1.2 -5,-0.3 -2,-0.2 0.843 115.4 54.5 -94.9 -41.7 71.9 -8.2 16.0 40 40 A E H 3< S+ 0 0 58 -4,-2.4 2,-0.5 1,-0.3 3,-0.4 0.903 106.1 54.5 -60.0 -38.0 68.8 -7.3 13.9 41 41 A L T >X S+ 0 0 11 -4,-3.2 3,-3.7 1,-0.2 4,-0.6 -0.102 70.5 145.8 -86.4 39.2 70.3 -9.2 11.0 42 42 A S H X> + 0 0 76 -3,-1.2 3,-1.5 -2,-0.5 4,-0.5 0.884 65.0 64.1 -46.0 -40.5 70.7 -12.3 13.3 43 43 A S H >> S+ 0 0 17 -3,-0.4 3,-1.1 1,-0.3 4,-0.5 0.766 87.0 75.3 -58.6 -16.7 70.0 -14.5 10.3 44 44 A F H X4 S+ 0 0 26 -3,-3.7 3,-1.6 1,-0.3 -1,-0.3 0.952 90.0 53.1 -60.0 -43.7 73.2 -13.0 9.1 45 45 A L H << S+ 0 0 119 -3,-1.5 3,-0.4 -4,-0.6 -1,-0.3 0.692 88.6 85.7 -63.9 -14.1 75.0 -15.3 11.5 46 46 A D H << S- 0 0 81 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.887 115.4 -9.4 -57.3 -35.7 73.0 -18.1 9.8 47 47 A V << - 0 0 37 -3,-1.6 40,-0.4 -4,-0.5 -1,-0.2 -0.431 68.1-159.1-166.2 87.1 75.7 -18.3 7.2 48 48 A Q + 0 0 140 -3,-0.4 37,-0.3 1,-0.1 3,-0.1 -0.418 14.5 177.9 -68.1 140.1 78.7 -15.8 6.9 49 49 A K + 0 0 102 35,-5.9 2,-0.9 1,-0.3 36,-0.2 0.728 63.3 25.9-109.0 -81.0 80.2 -15.9 3.4 50 50 A D > - 0 0 90 33,-0.6 4,-1.4 1,-0.2 -1,-0.3 -0.777 57.0-176.6 -93.8 108.7 83.1 -13.5 2.8 51 51 A A H > S+ 0 0 56 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.689 80.3 67.0 -75.9 -17.1 84.7 -12.7 6.2 52 52 A D H > S+ 0 0 108 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.904 101.3 45.5 -71.5 -40.0 87.0 -10.2 4.4 53 53 A A H > S+ 0 0 17 2,-0.2 4,-1.9 -3,-0.2 3,-0.2 0.971 117.1 43.7 -68.4 -49.7 84.1 -7.8 3.5 54 54 A V H X S+ 0 0 40 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.901 111.2 57.8 -59.5 -40.0 82.6 -8.0 7.0 55 55 A D H X S+ 0 0 85 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.889 105.4 48.1 -60.3 -40.5 86.1 -7.7 8.4 56 56 A K H X S+ 0 0 124 -4,-1.7 4,-1.1 -3,-0.2 3,-0.3 0.914 110.5 51.0 -69.7 -40.0 86.8 -4.4 6.7 57 57 A I H >X S+ 0 0 22 -4,-1.9 4,-1.3 1,-0.2 3,-0.6 0.927 107.3 53.5 -64.3 -40.4 83.5 -2.9 7.8 58 58 A M H 3X S+ 0 0 52 -4,-2.2 4,-1.7 1,-0.2 5,-0.3 0.800 99.3 66.4 -64.5 -25.6 84.2 -3.9 11.4 59 59 A K H 3X S+ 0 0 110 -4,-1.0 4,-2.0 -3,-0.3 -1,-0.2 0.896 100.4 46.9 -64.4 -40.0 87.5 -2.0 11.0 60 60 A E H < + 0 0 81 -4,-1.2 3,-4.4 -5,-0.2 -34,-0.3 -0.293 69.2 166.1-151.7 56.8 86.6 4.8 15.8 65 65 A G T 3 S+ 0 0 7 1,-0.3 -34,-3.9 -3,-0.3 -33,-0.4 0.725 80.6 67.9 -50.7 -14.0 83.3 3.3 16.9 66 66 A D T 3 S+ 0 0 127 -36,-0.2 -1,-0.3 -37,-0.2 -5,-0.1 0.478 81.1 100.4 -85.3 0.3 82.8 6.8 18.2 67 67 A G S < S- 0 0 11 -3,-4.4 2,-0.3 -7,-0.2 -37,-0.2 0.359 76.1-106.4 -62.2-150.7 82.6 8.1 14.6 68 68 A E - 0 0 130 -39,-0.3 2,-0.3 -38,-0.1 -39,-0.2 -0.991 24.2-164.8-145.7 154.6 79.2 8.7 13.1 69 69 A V + 0 0 2 -41,-1.7 -42,-3.0 -2,-0.3 -41,-0.5 -0.998 11.0 172.2-139.9 142.7 76.8 7.1 10.5 70 70 A D > - 0 0 35 -2,-0.3 4,-3.1 -44,-0.3 5,-0.3 -0.393 56.7 -57.6-128.2-154.7 73.7 8.5 8.7 71 71 A F H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.939 135.5 41.4 -61.3 -48.6 71.4 7.3 5.9 72 72 A Q H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.813 119.3 47.7 -70.0 -28.1 74.2 6.9 3.2 73 73 A E H > S+ 0 0 79 2,-0.2 4,-1.8 3,-0.2 5,-0.3 0.868 112.4 47.5 -80.8 -37.0 76.4 5.3 5.9 74 74 A F H X S+ 0 0 13 -4,-3.1 4,-1.4 2,-0.2 5,-0.2 0.881 117.9 42.6 -69.9 -38.3 73.7 3.0 7.2 75 75 A V H X S+ 0 0 20 -4,-2.1 4,-1.8 -5,-0.3 5,-0.2 0.902 118.6 42.2 -76.7 -42.6 72.7 1.9 3.7 76 76 A V H X S+ 0 0 41 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.898 119.6 43.5 -72.7 -40.0 76.2 1.5 2.3 77 77 A L H X S+ 0 0 26 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.893 116.5 46.1 -73.3 -39.9 77.7 -0.1 5.4 78 78 A V H X S+ 0 0 5 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.908 113.6 48.8 -72.0 -37.7 74.7 -2.5 5.9 79 79 A A H X S+ 0 0 1 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.906 107.4 57.4 -66.6 -36.7 74.6 -3.4 2.2 80 80 A A H >X S+ 0 0 10 -4,-1.6 3,-1.2 1,-0.2 4,-0.9 0.934 103.1 52.3 -60.2 -42.5 78.3 -4.0 2.5 81 81 A L H >X S+ 0 0 7 -4,-1.8 3,-1.3 1,-0.3 4,-1.2 0.943 97.4 66.8 -60.1 -41.0 77.7 -6.6 5.3 82 82 A T H 3< S+ 0 0 23 -4,-1.8 4,-0.4 1,-0.3 3,-0.4 0.847 92.6 62.8 -50.0 -30.0 75.2 -8.3 3.0 83 83 A V H X< S+ 0 0 14 -3,-1.2 3,-0.8 -4,-0.9 -33,-0.6 0.940 102.2 48.9 -60.0 -45.5 78.3 -9.1 0.9 84 84 A A H << S+ 0 0 1 -3,-1.3 -35,-5.9 -4,-0.9 -1,-0.2 0.738 131.1 19.4 -68.9 -21.9 79.7 -11.2 3.7 85 85 A C T 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 -0.016 76.5 136.6-135.9 29.7 76.3 -13.0 4.2 86 86 A N < + 0 0 43 -3,-0.8 -3,-0.1 -4,-0.4 2,-0.1 0.542 31.9 137.4 -57.6 -0.6 74.7 -12.4 0.8 87 87 A N > - 0 0 26 -40,-0.4 3,-1.4 1,-0.2 -40,-0.1 -0.280 46.0-159.5 -52.3 117.8 73.7 -16.1 1.0 88 88 A F T 3 S+ 0 0 118 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.809 92.0 66.0 -70.0 -25.9 70.1 -16.2 -0.2 89 89 A F T 3 + 0 0 175 1,-0.2 2,-3.8 -42,-0.1 -1,-0.3 0.587 67.5 108.0 -71.2 -7.0 69.9 -19.5 1.7 90 90 A W < + 0 0 31 -3,-1.4 2,-0.3 -5,-0.2 -1,-0.2 0.033 47.4 147.6 -63.6 41.6 70.4 -17.5 4.9 91 91 A E - 0 0 97 -2,-3.8 -2,-0.0 1,-0.1 -3,-0.0 -0.618 42.1-157.8 -80.4 134.4 66.7 -18.3 5.6 92 92 A N 0 0 103 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.1 0.476 360.0 360.0 -90.6 -0.0 65.9 -18.6 9.3 93 93 A S 0 0 154 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.948 360.0 360.0-168.4 360.0 62.7 -20.6 8.5 94 !* 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 95 1 B G 0 0 85 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -20.8 60.8 -10.1 10.4 96 2 B S > - 0 0 21 -56,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.336 360.0-105.9 -79.8 167.4 62.0 -6.9 12.0 97 3 B E H > S+ 0 0 120 2,-0.2 4,-1.3 1,-0.2 -83,-0.1 0.960 123.0 37.0 -60.5 -49.1 61.3 -3.5 10.5 98 4 B L H > S+ 0 0 6 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.922 118.4 51.2 -69.9 -40.6 64.9 -3.1 9.2 99 5 B E H > S+ 0 0 43 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.903 104.7 57.7 -62.7 -39.3 65.1 -6.8 8.4 100 6 B T H X S+ 0 0 67 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.908 100.5 57.2 -59.8 -39.9 61.9 -6.6 6.4 101 7 B A H X S+ 0 0 11 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.901 101.5 56.6 -59.9 -39.2 63.3 -3.9 4.2 102 8 B M H X S+ 0 0 32 -4,-1.2 4,-1.3 -3,-0.3 -1,-0.2 0.939 107.6 47.0 -60.1 -45.7 66.2 -6.2 3.1 103 9 B E H X S+ 0 0 98 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.915 109.8 53.4 -65.0 -40.1 63.8 -8.9 1.9 104 10 B T H X S+ 0 0 70 -4,-1.9 4,-1.9 1,-0.2 5,-0.2 0.909 103.6 56.8 -62.9 -40.0 61.7 -6.4 -0.1 105 11 B L H X S+ 0 0 23 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.906 104.4 52.2 -60.5 -40.1 64.7 -5.0 -1.9 106 12 B I H X S+ 0 0 53 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.923 107.5 52.4 -64.1 -41.2 65.6 -8.4 -3.3 107 13 B N H X S+ 0 0 113 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.913 110.2 46.8 -63.0 -41.6 62.1 -9.0 -4.7 108 14 B V H X S+ 0 0 9 -4,-1.9 4,-1.2 1,-0.2 3,-0.4 0.865 103.0 63.2 -71.2 -31.3 62.0 -5.7 -6.6 109 15 B F H X S+ 0 0 21 -4,-1.8 4,-3.2 1,-0.3 5,-0.5 0.929 98.9 56.7 -58.3 -38.4 65.5 -6.3 -8.0 110 16 B H H X S+ 0 0 97 -4,-1.4 4,-2.8 3,-0.2 -1,-0.3 0.887 94.4 68.3 -60.0 -35.8 63.9 -9.3 -9.7 111 17 B A H < S+ 0 0 52 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.969 118.6 18.7 -49.8 -57.6 61.4 -6.9 -11.3 112 18 B H H < S+ 0 0 62 -4,-1.2 3,-0.4 -3,-0.2 -2,-0.2 0.932 138.0 36.9 -80.0 -48.0 64.2 -5.3 -13.5 113 19 B S H >< S+ 0 0 3 -4,-3.2 3,-1.2 -5,-0.2 -3,-0.2 0.592 85.3 101.1 -80.9 -10.1 66.8 -8.2 -13.3 114 20 B G T 3< + 0 0 18 -4,-2.8 -1,-0.2 -5,-0.5 -4,-0.1 0.421 40.5 115.9 -59.4 13.3 64.2 -11.0 -13.3 115 21 B K T 3 S- 0 0 164 -3,-0.4 -1,-0.3 3,-0.3 -2,-0.1 0.783 82.4-133.0 -53.3 -17.2 65.1 -11.3 -17.0 116 22 B E S < S+ 0 0 127 -3,-1.2 3,-0.2 2,-0.1 -1,-0.2 0.094 88.4 82.2 85.0 -21.0 66.2 -14.7 -15.6 117 23 B G S S+ 0 0 53 1,-0.3 2,-0.8 -4,-0.1 3,-0.1 0.939 103.8 11.2 -75.1 -83.9 69.6 -14.3 -17.4 118 24 B D - 0 0 112 1,-0.2 -1,-0.3 2,-0.1 -3,-0.3 -0.826 60.5-171.1 -98.9 109.9 71.7 -12.1 -15.2 119 25 B K + 0 0 127 -2,-0.8 -1,-0.2 -3,-0.2 -6,-0.1 0.747 60.5 105.6 -70.0 -18.3 70.1 -11.6 -11.8 120 26 B Y S S- 0 0 114 1,-0.2 44,-0.3 -3,-0.1 3,-0.1 0.067 99.8 -95.5 -50.0 173.2 72.8 -9.0 -11.2 121 27 B K S S- 0 0 2 42,-3.0 43,-0.2 1,-0.3 6,-0.2 0.287 70.4-113.7 -82.3 19.2 71.6 -5.4 -11.4 122 28 B L - 0 0 25 41,-0.5 41,-1.7 4,-0.1 -1,-0.3 -0.166 56.3 -27.7 81.5-176.2 72.8 -5.5 -15.1 123 29 B S > - 0 0 51 39,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.354 65.9-113.4 -67.6 150.3 75.7 -3.6 -16.7 124 30 B K H > S+ 0 0 32 34,-0.3 4,-1.7 37,-0.2 5,-0.2 0.881 115.4 60.4 -55.8 -37.0 76.4 -0.3 -15.1 125 31 B K H > S+ 0 0 135 34,-3.9 4,-1.1 33,-0.2 -1,-0.2 0.944 112.1 37.2 -60.0 -44.2 75.3 1.6 -18.2 126 32 B E H >> S+ 0 0 97 33,-0.4 4,-2.0 -3,-0.4 3,-0.9 0.984 109.6 58.3 -73.3 -56.2 71.7 0.1 -17.9 127 33 B L H 3X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.3 5,-0.4 0.872 106.9 52.3 -42.9 -39.4 71.3 0.1 -14.1 128 34 B K H 3X S+ 0 0 20 -4,-1.7 4,-1.9 -5,-0.3 5,-0.3 0.926 105.6 52.9 -66.8 -40.2 71.9 3.9 -14.2 129 35 B D H < S+ 0 0 94 -4,-0.7 3,-1.2 -5,-0.3 -2,-0.2 0.844 115.3 54.6 -94.9 -41.7 64.8 7.8 -14.1 134 40 B E H 3< S+ 0 0 57 -4,-2.4 2,-0.5 1,-0.3 3,-0.4 0.902 106.1 54.5 -59.9 -38.0 62.9 5.9 -11.4 135 41 B L T >X S+ 0 0 13 -4,-3.2 3,-3.8 1,-0.2 4,-0.6 -0.102 70.5 146.0 -86.8 39.5 64.3 8.4 -8.8 136 42 B S H X> + 0 0 73 -3,-1.2 3,-1.5 -2,-0.5 4,-0.5 0.882 65.1 64.1 -45.7 -40.6 62.8 11.2 -11.0 137 43 B S H >> S+ 0 0 16 -3,-0.4 3,-1.1 1,-0.3 4,-0.5 0.766 86.9 75.2 -58.6 -16.9 62.1 13.1 -7.8 138 44 B F H X4 S+ 0 0 25 -3,-3.8 3,-1.6 1,-0.3 -1,-0.3 0.952 90.1 53.1 -60.1 -43.5 65.9 13.1 -7.5 139 45 B L H << S+ 0 0 120 -3,-1.5 3,-0.4 -4,-0.6 -1,-0.3 0.693 88.7 85.5 -64.1 -14.2 66.0 15.7 -10.2 140 46 B D H << S- 0 0 79 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.885 115.5 -9.3 -57.2 -35.7 63.5 17.6 -7.9 141 47 B V << - 0 0 37 -3,-1.6 40,-0.4 -4,-0.5 -1,-0.2 -0.431 68.0-159.2-166.4 87.2 66.5 19.0 -6.0 142 48 B Q + 0 0 141 -3,-0.4 37,-0.3 1,-0.1 3,-0.1 -0.423 14.5 177.8 -68.2 140.0 70.2 17.9 -6.5 143 49 B K + 0 0 102 35,-5.9 2,-0.9 1,-0.3 36,-0.2 0.727 63.4 25.9-108.9 -80.9 72.3 18.7 -3.5 144 50 B D > - 0 0 93 33,-0.6 4,-1.4 1,-0.2 -1,-0.3 -0.776 57.0-176.7 -94.0 108.6 76.0 17.5 -3.8 145 51 B A H > S+ 0 0 56 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.695 80.2 67.0 -75.9 -17.4 76.9 17.3 -7.4 146 52 B D H > S+ 0 0 110 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.905 101.3 45.4 -71.2 -39.9 80.3 16.0 -6.4 147 53 B A H > S+ 0 0 18 2,-0.2 4,-1.9 -3,-0.2 3,-0.3 0.972 117.0 43.8 -68.5 -49.8 78.9 12.7 -4.9 148 54 B V H X S+ 0 0 40 -4,-1.4 4,-2.3 1,-0.2 5,-0.2 0.900 111.1 57.9 -59.1 -40.0 76.6 12.1 -8.0 149 55 B D H X S+ 0 0 83 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.888 105.4 48.0 -60.4 -40.4 79.6 13.1 -10.2 150 56 B K H X S+ 0 0 125 -4,-1.7 4,-1.1 -3,-0.3 3,-0.3 0.912 110.5 51.0 -70.0 -40.0 81.8 10.4 -8.8 151 57 B I H >X S+ 0 0 21 -4,-1.9 4,-1.3 1,-0.2 3,-0.6 0.927 107.4 53.5 -64.1 -40.5 79.2 7.7 -9.2 152 58 B M H 3X S+ 0 0 52 -4,-2.3 4,-1.7 1,-0.2 5,-0.3 0.801 99.4 66.4 -64.2 -25.9 78.6 8.7 -12.8 153 59 B K H 3X S+ 0 0 108 -4,-1.0 4,-2.0 -3,-0.3 -1,-0.2 0.895 100.4 46.9 -64.2 -40.0 82.4 8.3 -13.3 154 60 B E H < + 0 0 81 -4,-1.2 3,-4.4 -5,-0.2 -34,-0.3 -0.292 69.3 166.1-151.6 56.4 83.1 1.4 -18.1 159 65 B G T 3 S+ 0 0 8 1,-0.3 -34,-3.9 -3,-0.3 -33,-0.4 0.725 80.5 67.8 -50.5 -14.2 79.2 1.5 -18.3 160 66 B D T 3 S+ 0 0 123 -36,-0.2 -1,-0.3 -37,-0.2 -5,-0.1 0.482 81.1 100.5 -85.1 0.0 79.8 -2.1 -19.6 161 67 B G S < S- 0 0 11 -3,-4.4 2,-0.3 -7,-0.2 -37,-0.2 0.361 76.1-106.6 -62.0-150.8 81.0 -3.1 -16.1 162 68 B E - 0 0 126 -39,-0.3 2,-0.3 -38,-0.1 -39,-0.2 -0.991 24.1-164.6-145.8 154.7 78.5 -4.9 -13.8 163 69 B V + 0 0 2 -41,-1.7 -42,-3.0 -2,-0.3 -41,-0.5 -0.998 11.1 172.2-140.0 142.7 76.4 -4.2 -10.7 164 70 B D > - 0 0 33 -2,-0.3 4,-3.0 -44,-0.3 5,-0.3 -0.392 56.6 -57.5-128.2-154.7 74.7 -6.6 -8.3 165 71 B F H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.941 135.4 41.3 -61.4 -48.8 72.8 -6.3 -4.9 166 72 B Q H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.813 119.3 47.7 -69.9 -28.0 75.7 -4.7 -3.0 167 73 B E H > S+ 0 0 77 2,-0.2 4,-1.8 3,-0.2 5,-0.3 0.869 112.4 47.4 -80.8 -36.9 76.5 -2.5 -6.0 168 74 B F H X S+ 0 0 13 -4,-3.0 4,-1.5 2,-0.2 5,-0.2 0.884 117.9 42.6 -70.0 -38.5 72.9 -1.5 -6.5 169 75 B V H X S+ 0 0 19 -4,-2.1 4,-1.8 -5,-0.3 5,-0.2 0.902 118.6 42.3 -76.3 -42.7 72.4 -0.6 -2.9 170 76 B V H X S+ 0 0 39 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.899 119.6 43.4 -72.8 -40.0 75.8 1.1 -2.3 171 77 B L H X S+ 0 0 28 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.891 116.6 46.1 -73.2 -40.0 75.6 3.1 -5.6 172 78 B V H X S+ 0 0 4 -4,-1.5 4,-1.8 -5,-0.3 -2,-0.2 0.909 113.6 48.7 -72.1 -37.8 72.0 4.0 -5.3 173 79 B A H X S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.904 107.5 57.5 -66.6 -36.7 72.4 5.1 -1.6 174 80 B A H >X S+ 0 0 11 -4,-1.6 3,-1.2 1,-0.2 4,-0.9 0.933 103.0 52.4 -60.3 -42.6 75.4 7.1 -2.8 175 81 B L H >X S+ 0 0 6 -4,-1.8 3,-1.3 1,-0.3 4,-1.2 0.943 97.4 66.8 -60.1 -40.9 73.2 9.0 -5.2 176 82 B T H 3< S+ 0 0 22 -4,-1.8 4,-0.4 1,-0.3 3,-0.4 0.850 92.5 62.6 -50.1 -30.0 70.9 9.7 -2.3 177 83 B V H X< S+ 0 0 14 -3,-1.2 3,-0.8 -4,-0.9 -33,-0.6 0.941 102.3 48.9 -60.0 -45.4 73.9 11.8 -0.9 178 84 B A H << S+ 0 0 0 -3,-1.3 -35,-5.9 -4,-0.9 -1,-0.2 0.738 131.0 19.5 -69.0 -21.7 73.6 14.1 -3.9 179 85 B C T 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 -0.019 76.6 136.5-136.1 29.9 69.8 14.5 -3.5 180 86 B N < + 0 0 39 -3,-0.8 -3,-0.1 -4,-0.4 2,-0.1 0.543 31.8 137.3 -57.8 -0.5 69.4 13.5 0.2 181 87 B N > - 0 0 28 -40,-0.4 3,-1.5 1,-0.2 -40,-0.1 -0.279 46.0-159.5 -52.3 117.8 67.1 16.5 0.4 182 88 B F T 3 S+ 0 0 114 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.806 91.9 66.1 -70.0 -25.5 64.1 15.3 2.4 183 89 B F T 3 + 0 0 172 1,-0.2 2,-3.6 -42,-0.1 -1,-0.3 0.583 67.4 107.9 -71.7 -6.6 62.2 18.2 0.8 184 90 B W < + 0 0 30 -3,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.045 47.5 147.6 -63.8 40.9 62.6 16.3 -2.5 185 91 B E - 0 0 95 -2,-3.6 -2,-0.0 1,-0.1 -3,-0.0 -0.606 42.0-157.8 -79.2 134.7 58.8 15.5 -2.2 186 92 B N 0 0 100 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.1 0.479 360.0 360.0 -90.8 -0.1 57.1 15.3 -5.6 187 93 B S 0 0 154 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.946 360.0 360.0-168.3 360.0 53.7 16.1 -4.0