==== 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 11-MAR-09 2WCE . COMPND 2 MOLECULE: PROTEIN S100-A12; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.V.MOROZ,E.V.BLAGOVA,A.J.WILKINSON,K.S.WILSON, I.B.BRONSTEI . 182 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 78.0 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 . 6 3.3 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 0 0 0 0 2 2 0 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 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 ANTIPARALLEL 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 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 S 0 0 69 0, 0.0 181,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 162.1 20.7 35.7 -4.5 2 1 A T > - 0 0 29 130,-0.3 4,-2.4 179,-0.3 5,-0.2 -0.365 360.0-104.0 -78.1 167.7 19.7 35.2 -0.9 3 2 A K H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.923 124.3 52.7 -56.2 -46.1 21.0 32.3 1.2 4 3 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 109.1 48.7 -55.7 -49.3 17.6 30.6 0.8 5 4 A E H > S+ 0 0 0 127,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.873 109.4 52.4 -63.7 -36.7 17.7 31.0 -3.0 6 5 A E H X S+ 0 0 104 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.912 110.8 47.9 -64.2 -41.8 21.3 29.6 -3.1 7 6 A H H X S+ 0 0 43 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.923 111.9 48.9 -62.5 -45.7 20.2 26.6 -1.2 8 7 A L H X S+ 0 0 3 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.879 107.0 56.9 -60.4 -37.8 17.1 26.1 -3.4 9 8 A E H X S+ 0 0 105 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.943 107.9 48.3 -56.5 -46.5 19.4 26.4 -6.5 10 9 A G H X S+ 0 0 15 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.885 112.2 47.6 -64.5 -41.6 21.4 23.5 -5.2 11 10 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.915 110.3 52.3 -66.4 -43.6 18.4 21.4 -4.5 12 11 A V H X S+ 0 0 14 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.905 109.9 49.7 -55.5 -45.8 16.9 22.1 -7.9 13 12 A N H X S+ 0 0 91 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.914 111.2 47.8 -62.6 -44.5 20.1 21.0 -9.5 14 13 A I H X S+ 0 0 25 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.924 110.0 52.7 -64.2 -44.7 20.3 17.7 -7.5 15 14 A F H >X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 3,-0.9 0.928 109.6 49.0 -56.1 -48.0 16.7 16.9 -8.3 16 15 A H H 3X S+ 0 0 36 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.809 98.6 65.9 -67.9 -26.3 17.4 17.4 -12.1 17 16 A Q H 3< S+ 0 0 103 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.795 114.4 34.4 -61.0 -27.7 20.5 15.2 -12.0 18 17 A Y H X< S+ 0 0 11 -4,-0.9 3,-1.0 -3,-0.9 4,-0.4 0.833 115.6 53.7 -87.8 -44.4 18.0 12.4 -11.2 19 18 A S H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 8,-0.4 0.783 102.9 57.5 -69.3 -26.5 15.0 13.5 -13.2 20 19 A V T 3< S+ 0 0 82 -4,-2.1 -1,-0.3 1,-0.2 -3,-0.1 0.694 84.8 84.4 -76.9 -16.5 16.9 13.8 -16.5 21 20 A R T < S+ 0 0 154 -3,-1.0 2,-0.3 -5,-0.2 -1,-0.2 0.832 101.8 8.2 -57.7 -38.8 18.0 10.2 -16.4 22 21 A K S < S- 0 0 92 -3,-0.6 5,-0.2 -4,-0.4 -1,-0.1 -0.973 111.7 -21.5-140.7 155.1 14.9 8.7 -18.0 23 22 A G S S+ 0 0 78 -2,-0.3 2,-0.1 3,-0.1 5,-0.0 -0.080 114.5 23.4 54.1-140.8 11.7 9.9 -19.7 24 23 A H S > S- 0 0 109 1,-0.1 3,-1.3 2,-0.1 -2,-0.3 -0.364 79.4-129.6 -65.5 136.2 10.5 13.5 -19.1 25 24 A F T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -5,-0.1 -4,-0.1 0.665 99.0 39.9 -67.6 -22.8 13.5 15.5 -18.0 26 25 A D T 3 S+ 0 0 37 -6,-0.1 45,-0.4 -7,-0.1 2,-0.3 0.164 106.7 62.4-119.7 20.7 11.9 17.1 -14.9 27 26 A T < - 0 0 26 -3,-1.3 2,-0.3 -8,-0.4 -5,-0.3 -0.910 59.5-164.2-126.6 162.2 9.9 14.3 -13.4 28 27 A L E -A 69 0A 0 41,-1.9 41,-2.7 -2,-0.3 -9,-0.1 -0.981 27.9-100.7-139.7 157.0 11.1 11.0 -12.0 29 28 A S E > -A 68 0A 14 -2,-0.3 4,-2.5 39,-0.2 39,-0.2 -0.333 31.7-114.7 -69.1 157.3 9.3 7.7 -11.1 30 29 A K H > S+ 0 0 25 37,-1.8 4,-2.2 34,-0.5 35,-0.2 0.876 120.5 57.2 -60.4 -33.4 8.4 6.9 -7.5 31 30 A G H > S+ 0 0 26 34,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.922 108.4 45.4 -58.2 -45.6 10.9 4.0 -7.9 32 31 A E H > S+ 0 0 37 33,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.870 108.8 56.5 -68.4 -35.8 13.6 6.5 -8.8 33 32 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.901 102.6 55.9 -61.8 -40.8 12.5 8.8 -6.0 34 33 A K H X S+ 0 0 63 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.931 109.1 46.1 -57.8 -44.2 13.1 5.9 -3.6 35 34 A Q H X S+ 0 0 73 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.914 111.9 51.8 -61.2 -45.5 16.7 5.5 -4.8 36 35 A L H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.4 0.938 112.9 44.1 -57.1 -52.0 17.3 9.3 -4.6 37 36 A L H X S+ 0 0 4 -4,-2.8 4,-2.1 1,-0.2 8,-0.2 0.907 109.5 57.3 -64.1 -42.8 16.1 9.5 -1.0 38 37 A T H < S+ 0 0 73 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.893 120.7 26.9 -55.1 -42.9 18.0 6.4 -0.0 39 38 A K H >< S+ 0 0 131 -4,-2.0 3,-1.2 -3,-0.2 4,-0.2 0.919 125.2 43.4 -85.4 -50.8 21.3 7.9 -1.1 40 39 A E H 3< S+ 0 0 30 -4,-3.3 57,-0.5 1,-0.3 54,-0.3 0.716 123.6 36.5 -80.4 -18.3 20.8 11.7 -0.8 41 40 A L T 3X S+ 0 0 1 -4,-2.1 4,-3.3 -5,-0.4 5,-0.3 -0.069 78.2 127.4-113.2 28.2 19.1 11.5 2.6 42 41 A A H <> S+ 0 0 44 -3,-1.2 4,-1.8 1,-0.2 -2,-0.1 0.885 77.6 40.2 -52.5 -43.8 21.1 8.6 4.0 43 42 A N H > S+ 0 0 41 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 114.7 51.8 -76.5 -42.0 22.1 10.4 7.2 44 43 A T H > S+ 0 0 0 45,-0.3 4,-0.6 1,-0.2 -2,-0.2 0.934 110.9 49.4 -54.4 -49.5 18.7 12.0 7.7 45 44 A I H >< S+ 0 0 35 -4,-3.3 3,-1.1 1,-0.2 -1,-0.2 0.897 109.2 50.5 -60.5 -40.6 17.1 8.5 7.4 46 45 A K H 3< S+ 0 0 96 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.857 106.5 58.4 -66.1 -30.1 19.5 6.9 9.8 47 46 A N H 3< S+ 0 0 42 -4,-1.9 2,-0.7 41,-0.2 -1,-0.2 0.595 81.2 100.3 -75.4 -10.7 18.6 9.8 12.2 48 47 A I << - 0 0 3 -3,-1.1 37,-0.2 -4,-0.6 6,-0.1 -0.668 54.0-169.5 -79.2 116.2 14.9 8.9 12.2 49 48 A K S S+ 0 0 129 -2,-0.7 2,-1.0 35,-0.5 -1,-0.2 0.902 74.5 65.5 -75.2 -41.1 14.2 6.9 15.4 50 49 A D > - 0 0 102 34,-0.3 3,-1.3 1,-0.2 4,-0.4 -0.734 67.8-170.9 -84.9 104.3 10.7 5.7 14.3 51 50 A K T 3> S+ 0 0 132 -2,-1.0 4,-1.8 1,-0.3 3,-0.2 0.564 73.3 76.6 -79.1 -9.5 11.5 3.5 11.4 52 51 A A H 3> S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.714 84.5 69.2 -68.5 -21.1 7.8 3.0 10.4 53 52 A V H <> S+ 0 0 38 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.924 107.3 32.1 -67.0 -49.5 8.0 6.5 8.9 54 53 A I H > S+ 0 0 17 -4,-0.4 4,-3.6 2,-0.2 5,-0.4 0.892 115.0 61.9 -78.2 -39.4 10.3 5.7 6.0 55 54 A D H X S+ 0 0 39 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.938 109.4 42.3 -38.3 -59.1 8.7 2.1 5.9 56 55 A E H X S+ 0 0 61 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.892 114.4 49.3 -60.3 -47.4 5.4 3.8 5.1 57 56 A I H X S+ 0 0 21 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.968 115.9 43.2 -57.7 -53.0 6.9 6.4 2.6 58 57 A F H X S+ 0 0 38 -4,-3.6 4,-3.0 1,-0.2 -2,-0.2 0.846 109.7 56.2 -66.0 -36.0 8.8 3.6 0.7 59 58 A Q H X S+ 0 0 136 -4,-2.6 4,-2.0 -5,-0.4 -1,-0.2 0.923 109.6 47.9 -60.1 -41.7 5.8 1.3 0.8 60 59 A G H X S+ 0 0 37 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.884 111.3 48.8 -64.5 -40.3 3.8 4.1 -0.9 61 60 A L H >< S+ 0 0 6 -4,-2.1 3,-0.9 1,-0.2 6,-0.2 0.928 112.3 49.7 -65.1 -42.5 6.6 4.6 -3.5 62 61 A D H >< S+ 0 0 69 -4,-3.0 3,-1.0 1,-0.2 -2,-0.2 0.846 102.7 60.6 -62.2 -38.8 6.7 0.9 -4.1 63 62 A A H 3< S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.746 123.7 20.6 -62.1 -25.1 2.9 0.7 -4.6 64 63 A N T X< S+ 0 0 86 -3,-0.9 3,-1.8 -4,-0.8 -34,-0.5 -0.321 75.8 154.2-139.7 53.1 3.2 3.2 -7.5 65 64 A Q T < S+ 0 0 104 -3,-1.0 -34,-2.6 1,-0.3 -33,-0.4 0.710 74.2 48.8 -61.9 -24.7 6.8 2.8 -8.6 66 65 A D T 3 S+ 0 0 132 -37,-0.2 -1,-0.3 -36,-0.2 2,-0.2 0.513 84.5 110.3 -93.5 -4.0 6.1 3.9 -12.2 67 66 A E < - 0 0 81 -3,-1.8 -37,-1.8 -6,-0.2 2,-0.2 -0.478 69.7-122.7 -73.5 140.2 4.1 7.0 -11.3 68 67 A Q E -A 29 0A 89 -39,-0.2 2,-0.4 -2,-0.2 -39,-0.2 -0.559 26.2-168.6 -88.1 142.3 5.8 10.3 -12.1 69 68 A V E -A 28 0A 2 -41,-2.7 -41,-1.9 -2,-0.2 2,-0.1 -0.984 7.2-146.1-131.5 147.8 6.5 12.9 -9.5 70 69 A D > - 0 0 49 -2,-0.4 4,-2.5 -43,-0.2 5,-0.2 -0.330 38.4 -86.3-102.0-178.2 7.7 16.5 -9.9 71 70 A F H > S+ 0 0 1 -45,-0.4 4,-3.0 1,-0.2 5,-0.3 0.893 124.4 55.7 -54.2 -45.8 9.9 18.8 -7.9 72 71 A Q H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 111.1 43.3 -58.1 -44.7 7.0 19.9 -5.7 73 72 A E H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 113.0 53.8 -69.1 -39.3 6.1 16.3 -4.6 74 73 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.956 110.9 45.0 -53.1 -49.2 9.8 15.5 -4.2 75 74 A I H X S+ 0 0 6 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.867 110.5 55.3 -74.7 -32.8 10.4 18.4 -1.8 76 75 A S H X S+ 0 0 59 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.947 110.4 45.3 -54.1 -52.5 7.1 17.6 0.1 77 76 A X H X S+ 0 0 26 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.895 110.7 53.0 -61.6 -44.0 8.4 14.0 0.7 78 77 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.911 106.6 54.5 -55.0 -43.8 11.8 15.3 1.7 79 78 A A H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.894 106.1 52.0 -62.3 -40.5 10.0 17.6 4.2 80 79 A I H X S+ 0 0 59 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.937 111.4 45.9 -56.1 -50.1 8.2 14.6 5.8 81 80 A A H X S+ 0 0 2 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.903 111.4 53.7 -63.3 -42.0 11.5 12.7 6.2 82 81 A L H <>S+ 0 0 1 -4,-2.8 5,-3.3 1,-0.2 6,-0.4 0.892 108.5 47.9 -58.7 -45.0 13.1 15.9 7.7 83 82 A K H ><5S+ 0 0 112 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.897 108.7 53.9 -64.1 -42.3 10.5 16.3 10.3 84 83 A A H 3<5S+ 0 0 28 -4,-2.1 -35,-0.5 1,-0.3 -34,-0.3 0.819 107.7 52.4 -62.6 -31.2 10.7 12.6 11.3 85 84 A A T ><5S- 0 0 0 -4,-1.7 3,-1.3 -37,-0.2 -1,-0.3 0.307 116.5-114.3 -82.2 8.7 14.4 13.1 11.8 86 85 A H T < 5S- 0 0 123 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.817 71.3 -64.9 55.4 30.8 13.8 16.2 14.1 87 86 A Y T 3 - 0 0 28 -5,-0.3 4,-2.2 -54,-0.3 5,-0.2 -0.344 360.0-103.8 -74.5 168.3 25.3 14.9 1.4 95 2 B K H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.917 124.9 53.4 -62.1 -39.0 25.1 18.1 -0.6 96 3 B L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.947 108.9 49.4 -57.1 -47.9 21.2 17.8 -0.5 97 4 B E H > S+ 0 0 0 -57,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.883 108.5 52.4 -60.6 -39.2 21.4 17.5 3.3 98 5 B E H X S+ 0 0 112 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.917 111.9 46.7 -61.5 -45.4 23.6 20.6 3.6 99 6 B H H X S+ 0 0 44 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.917 111.6 50.1 -64.6 -43.0 21.2 22.6 1.6 100 7 B L H X S+ 0 0 3 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.913 107.3 55.2 -63.4 -38.2 18.2 21.3 3.6 101 8 B E H X S+ 0 0 55 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.921 107.2 50.8 -57.9 -45.2 20.0 22.2 6.9 102 9 B G H X S+ 0 0 11 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.910 111.3 47.3 -58.3 -45.0 20.4 25.8 5.6 103 10 B I H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.901 109.9 52.9 -68.5 -41.0 16.7 26.0 4.7 104 11 B V H X S+ 0 0 6 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.893 109.8 49.1 -59.9 -41.0 15.6 24.6 8.1 105 12 B N H X S+ 0 0 69 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.906 110.1 49.4 -67.4 -38.2 17.7 27.2 9.9 106 13 B I H X S+ 0 0 16 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.926 109.1 52.9 -71.3 -43.9 16.3 30.1 7.8 107 14 B F H >X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 3,-0.9 0.940 110.5 47.6 -52.4 -52.6 12.7 29.0 8.5 108 15 B H H 3X S+ 0 0 35 -4,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.805 99.7 65.5 -67.2 -27.7 13.3 28.9 12.2 109 16 B Q H 3< S+ 0 0 123 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.842 113.1 36.3 -56.7 -34.7 14.9 32.3 12.2 110 17 B Y H X< S+ 0 0 7 -4,-1.2 3,-1.1 -3,-0.9 4,-0.4 0.869 114.7 53.1 -81.1 -43.9 11.5 33.5 11.2 111 18 B S H >< S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 8,-0.4 0.804 102.1 59.3 -67.6 -28.1 9.3 31.1 13.2 112 19 B V T 3< S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.688 87.0 81.7 -72.7 -16.5 11.1 31.9 16.6 113 20 B R T < S+ 0 0 141 -3,-1.1 2,-0.3 -4,-0.2 -1,-0.2 0.858 101.2 8.3 -59.7 -44.9 10.1 35.7 16.3 114 21 B K S < S- 0 0 72 -3,-0.5 5,-0.2 -4,-0.4 -1,-0.1 -0.928 111.0 -21.5-136.7 157.2 6.5 35.6 17.6 115 22 B G S S+ 0 0 78 -2,-0.3 2,-0.1 3,-0.1 5,-0.0 -0.038 114.5 25.4 51.8-132.7 4.1 33.1 19.2 116 23 B H S > S- 0 0 133 1,-0.1 3,-1.2 2,-0.0 -2,-0.2 -0.411 77.7-130.1 -68.4 135.8 4.9 29.4 18.8 117 24 B F T 3 S+ 0 0 135 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.707 100.4 37.7 -63.2 -22.3 8.6 28.7 18.1 118 25 B D T 3 S+ 0 0 63 -6,-0.1 45,-0.4 -7,-0.1 2,-0.3 0.260 109.7 58.6-119.3 11.7 8.2 26.5 15.1 119 26 B T < - 0 0 24 -3,-1.2 2,-0.3 -8,-0.4 -5,-0.2 -0.908 58.7-160.9-129.4 164.0 5.2 28.1 13.2 120 27 B L E -B 161 0B 0 41,-2.1 41,-2.7 -2,-0.3 -9,-0.1 -0.981 27.3-101.6-140.1 156.5 4.6 31.5 11.7 121 28 B S E > -B 160 0B 15 -2,-0.3 4,-2.3 39,-0.2 39,-0.2 -0.350 32.7-114.6 -68.9 156.6 1.5 33.4 10.7 122 29 B K H > S+ 0 0 27 37,-1.8 4,-2.0 34,-0.4 35,-0.2 0.868 119.8 57.2 -60.3 -35.0 0.6 33.6 7.0 123 30 B G H > S+ 0 0 30 34,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.924 108.4 45.9 -59.1 -45.9 1.2 37.3 7.3 124 31 B E H > S+ 0 0 35 33,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.857 109.0 55.6 -66.1 -35.8 4.8 36.6 8.5 125 32 B L H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.874 103.3 55.3 -63.3 -37.0 5.2 34.0 5.7 126 33 B K H X S+ 0 0 57 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.931 109.8 46.2 -60.8 -45.1 4.3 36.7 3.2 127 34 B Q H X S+ 0 0 113 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.937 111.9 51.9 -60.1 -48.0 7.2 38.9 4.6 128 35 B L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.950 113.6 42.8 -52.2 -54.3 9.5 35.9 4.6 129 36 B L H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 8,-0.2 0.910 110.6 55.5 -62.8 -41.5 8.8 35.1 0.9 130 37 B T H < S+ 0 0 73 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.888 120.5 30.9 -59.0 -42.1 9.0 38.8 -0.2 131 38 B K H >< S+ 0 0 127 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.948 124.8 39.6 -81.3 -53.2 12.4 39.1 1.3 132 39 B E H 3< S+ 0 0 29 -4,-3.1 -127,-0.5 1,-0.3 -130,-0.3 0.689 124.3 38.2 -81.3 -19.9 14.1 35.7 1.0 133 40 B L T 3X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.4 -1,-0.3 -0.065 77.3 127.9-111.5 31.5 12.7 34.9 -2.5 134 41 B A H <> S+ 0 0 44 -3,-1.1 4,-1.7 1,-0.2 -2,-0.1 0.879 76.6 40.4 -56.7 -43.2 13.0 38.4 -3.9 135 42 B N H > S+ 0 0 44 2,-0.2 4,-1.7 46,-0.2 -1,-0.2 0.916 113.9 53.0 -73.4 -43.2 14.9 37.4 -7.0 136 43 B T H > S+ 0 0 0 45,-0.3 4,-0.7 2,-0.2 3,-0.2 0.925 109.5 50.3 -54.9 -49.0 12.8 34.3 -7.6 137 44 B I H >< S+ 0 0 34 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.923 108.0 51.2 -58.6 -42.4 9.6 36.4 -7.4 138 45 B K H 3< S+ 0 0 88 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.827 106.2 58.9 -63.2 -28.3 11.0 39.0 -9.9 139 46 B N H 3< S+ 0 0 55 -4,-1.7 2,-0.5 -3,-0.2 -1,-0.2 0.607 79.5 101.6 -77.8 -13.7 11.7 35.9 -12.2 140 47 B I << - 0 0 2 -3,-1.2 37,-0.2 -4,-0.7 3,-0.1 -0.592 54.1-167.0 -72.6 120.3 8.1 34.8 -12.3 141 48 B K S S+ 0 0 97 35,-0.6 2,-1.3 -2,-0.5 -1,-0.2 0.916 77.0 65.3 -75.2 -42.8 6.7 36.0 -15.7 142 49 B D > - 0 0 100 34,-0.3 3,-2.2 1,-0.2 4,-0.5 -0.649 65.1-174.3 -85.0 91.9 3.0 35.4 -14.7 143 50 B K T 3> S+ 0 0 107 -2,-1.3 4,-2.0 1,-0.3 5,-0.2 0.577 76.7 74.5 -62.8 -14.7 2.4 37.9 -11.9 144 51 B A H 3> S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.774 88.8 62.8 -67.0 -26.5 -1.0 36.5 -11.3 145 52 B V H <> S+ 0 0 40 -3,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.943 109.8 34.2 -63.3 -52.1 0.7 33.5 -9.6 146 53 B I H > S+ 0 0 15 -4,-0.5 4,-3.2 2,-0.2 5,-0.3 0.893 116.0 55.9 -77.6 -38.6 2.4 35.5 -6.7 147 54 B D H X S+ 0 0 117 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.948 111.1 47.2 -50.7 -46.7 -0.6 37.9 -6.5 148 55 B E H X S+ 0 0 61 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.926 112.1 47.1 -63.2 -46.9 -2.7 34.7 -6.0 149 56 B I H X S+ 0 0 22 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.924 115.9 47.0 -58.9 -43.2 -0.3 33.2 -3.4 150 57 B F H X S+ 0 0 31 -4,-3.2 4,-2.9 2,-0.2 5,-0.2 0.840 105.1 59.4 -69.9 -34.9 -0.3 36.5 -1.6 151 58 B Q H X S+ 0 0 80 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.936 107.1 47.6 -52.7 -49.4 -4.0 36.9 -1.8 152 59 B G H X S+ 0 0 32 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.892 111.7 49.5 -60.3 -41.0 -4.3 33.6 0.2 153 60 B L H < S+ 0 0 5 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.911 114.8 44.2 -67.9 -42.8 -1.8 34.8 2.7 154 61 B D H >< S+ 0 0 69 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.890 110.2 55.9 -63.8 -42.7 -3.6 38.2 3.2 155 62 B A H 3< S+ 0 0 72 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.844 125.0 22.2 -56.3 -37.5 -7.0 36.5 3.3 156 63 B N T >< S+ 0 0 72 -4,-1.5 3,-2.0 -5,-0.2 -34,-0.4 -0.352 79.4 152.0-128.0 47.1 -6.0 34.2 6.2 157 64 B Q T < + 0 0 99 -3,-1.1 -34,-2.5 1,-0.3 -33,-0.4 0.684 69.4 51.3 -66.0 -21.5 -3.1 36.3 7.6 158 65 B D T 3 S+ 0 0 135 -36,-0.2 -1,-0.3 -37,-0.2 2,-0.2 0.461 82.1 111.9 -94.2 -0.5 -3.4 35.0 11.2 159 66 B E < - 0 0 94 -3,-2.0 -37,-1.8 -6,-0.2 2,-0.3 -0.488 68.2-125.2 -71.5 139.1 -3.4 31.3 10.3 160 67 B Q E -B 121 0B 89 -39,-0.2 2,-0.4 -2,-0.2 -39,-0.2 -0.659 24.5-166.2 -89.7 141.7 -0.3 29.5 11.5 161 68 B V E -B 120 0B 3 -41,-2.7 -41,-2.1 -2,-0.3 2,-0.1 -0.963 6.2-146.6-128.7 143.8 1.9 27.5 9.1 162 69 B D > - 0 0 56 -2,-0.4 4,-2.3 -43,-0.2 3,-0.3 -0.390 39.8 -85.6-101.5-179.4 4.6 25.0 9.8 163 70 B F H > S+ 0 0 2 -45,-0.4 4,-2.7 1,-0.2 5,-0.2 0.881 125.2 56.2 -54.0 -43.5 7.8 24.1 8.0 164 71 B Q H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 110.3 44.6 -57.9 -41.4 6.0 21.6 5.7 165 72 B E H > S+ 0 0 73 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.878 109.8 54.4 -73.7 -37.1 3.6 24.3 4.5 166 73 B F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.935 108.5 50.8 -57.0 -45.3 6.4 26.8 4.1 167 74 B I H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.891 108.2 51.9 -61.2 -43.2 8.2 24.3 1.9 168 75 B S H X S+ 0 0 43 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.899 110.7 47.3 -59.2 -45.9 5.1 23.8 -0.2 169 76 B X H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.905 110.9 50.7 -65.0 -45.6 4.7 27.5 -0.8 170 77 B V H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.906 108.6 53.7 -56.0 -45.2 8.3 28.0 -1.7 171 78 B A H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.865 107.1 51.1 -59.1 -40.0 8.0 25.1 -4.2 172 79 B I H X S+ 0 0 51 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.932 113.0 44.3 -61.8 -46.9 5.0 26.8 -5.9 173 80 B A H X S+ 0 0 3 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.947 112.9 52.4 -65.7 -43.7 6.8 30.1 -6.3 174 81 B L H ><>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 3,-0.6 0.940 109.1 49.2 -58.3 -48.6 10.0 28.3 -7.5 175 82 B K H ><5S+ 0 0 101 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.896 107.7 54.0 -55.9 -44.6 8.0 26.4 -10.2 176 83 B A H 3<5S+ 0 0 29 -4,-2.0 -35,-0.6 1,-0.3 -34,-0.3 0.784 107.3 51.4 -63.2 -28.4 6.4 29.6 -11.4 177 84 B A T X<5S- 0 0 3 -4,-1.5 3,-1.5 -3,-0.6 -1,-0.3 0.246 119.2-113.3 -85.8 9.0 9.9 31.1 -11.8 178 85 B H T < 5S- 0 0 141 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.845 70.9 -62.3 53.7 35.5 10.9 27.9 -13.9 179 86 B Y T 3