==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM BINDING PROTEIN/ANTITUMOR PROTEI06-AUG-07 2JTT . COMPND 2 MOLECULE: PROTEIN S100-A6; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR Y.LEE,W.J.CHAZIN . 242 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 75.2 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 . 8 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 . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 1 2 3 0 2 0 0 0 1 1 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 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 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 1 A M 0 0 91 0, 0.0 135,-0.1 0, 0.0 196,-0.1 0.000 360.0 360.0 360.0 80.6 18.0 1.6 11.0 2 2 A A >> + 0 0 1 1,-0.2 4,-2.6 191,-0.2 3,-0.8 0.199 360.0 133.1 -80.3 14.3 17.1 -0.9 8.2 3 3 A S H 3> + 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.703 63.3 53.9 -42.0 -48.4 20.7 -2.2 7.6 4 4 A P H 3> S+ 0 0 52 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.908 121.4 29.7 -63.6 -44.5 20.1 -6.0 7.5 5 5 A L H <> S+ 0 0 3 -3,-0.8 4,-2.7 2,-0.2 5,-0.3 0.886 117.6 57.8 -79.0 -39.2 17.3 -5.9 4.8 6 6 A D H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 -3,-0.2 0.878 108.5 46.5 -62.0 -37.8 18.7 -2.8 3.1 7 7 A Q H X S+ 0 0 64 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.821 110.9 52.9 -74.8 -27.8 22.1 -4.5 2.5 8 8 A A H X S+ 0 0 4 -4,-0.8 4,-1.5 -5,-0.2 3,-0.4 0.943 112.7 42.4 -71.3 -45.5 20.3 -7.7 1.2 9 9 A I H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.859 111.7 58.6 -66.1 -28.3 18.2 -5.7 -1.4 10 10 A G H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.3 -2,-0.2 0.806 99.5 56.9 -66.2 -30.2 21.6 -3.8 -2.0 11 11 A L H X S+ 0 0 20 -4,-1.2 4,-2.2 -3,-0.4 -2,-0.2 0.959 107.0 47.6 -63.4 -50.5 23.1 -7.2 -2.9 12 12 A L H X S+ 0 0 3 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.881 114.6 47.2 -59.0 -39.9 20.5 -7.7 -5.7 13 13 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.947 112.2 48.8 -64.1 -49.3 21.1 -4.1 -6.9 14 14 A G H < S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.764 115.1 45.9 -67.7 -26.8 24.9 -4.6 -6.9 15 15 A I H >X S+ 0 0 0 -4,-2.2 3,-0.8 -5,-0.2 4,-0.6 0.961 116.2 44.3 -70.7 -57.2 24.6 -7.9 -8.8 16 16 A F H >X S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-1.0 0.878 106.8 55.9 -59.6 -48.2 22.1 -6.6 -11.4 17 17 A H H 3X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.677 93.1 69.5 -72.8 -14.3 23.7 -3.2 -12.3 18 18 A K H <4 S+ 0 0 20 -3,-0.8 4,-0.3 -4,-0.4 -1,-0.3 0.908 102.9 45.8 -57.1 -43.9 27.1 -4.7 -13.3 19 19 A Y H << S+ 0 0 11 -3,-1.1 3,-0.4 -4,-0.6 -2,-0.2 0.841 115.1 43.1 -80.7 -34.2 25.4 -6.3 -16.4 20 20 A S H >X S+ 0 0 0 -4,-1.0 3,-2.6 1,-0.2 4,-2.3 0.920 106.7 64.3 -72.1 -38.8 23.4 -3.2 -17.6 21 21 A G T 3< S+ 0 0 38 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.581 83.8 76.8 -59.8 -12.3 26.6 -1.1 -16.9 22 22 A K T 34 S+ 0 0 113 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.715 118.2 11.6 -67.8 -22.3 28.3 -3.1 -19.7 23 23 A E T <4 S- 0 0 117 -3,-2.6 2,-0.3 1,-0.3 -2,-0.2 0.569 129.8 -43.2-128.1 -23.8 26.3 -0.9 -22.1 24 24 A G < - 0 0 30 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.1 -0.992 66.5 -63.9 175.4-172.6 24.8 2.1 -20.1 25 25 A D S S+ 0 0 110 -2,-0.3 -4,-0.1 -4,-0.1 -5,-0.1 0.446 78.0 136.2 -74.7 -4.4 23.0 3.5 -17.0 26 26 A K - 0 0 38 -6,-0.3 -2,-0.1 1,-0.1 -6,-0.1 -0.001 57.3-140.5 -59.4 153.0 19.7 1.5 -17.6 27 27 A H S S+ 0 0 77 -7,-0.1 43,-2.6 2,-0.0 2,-0.3 0.001 78.9 79.8 -96.3 22.2 17.6 -0.4 -15.1 28 28 A T E -A 69 0A 17 41,-0.2 2,-0.4 42,-0.1 41,-0.2 -0.883 64.2-144.9-127.6 158.2 16.9 -3.3 -17.6 29 29 A L E -A 68 0A 1 39,-2.3 39,-2.8 -2,-0.3 2,-0.1 -0.997 19.0-133.0-125.3 130.2 18.7 -6.4 -18.9 30 30 A S E >> -A 67 0A 26 -2,-0.4 4,-2.9 37,-0.3 3,-0.9 -0.428 36.3 -99.2 -76.5 155.2 18.4 -7.6 -22.5 31 31 A K H 3> S+ 0 0 80 35,-0.8 4,-1.7 34,-0.4 -1,-0.1 0.815 124.5 41.0 -52.8 -37.9 17.8 -11.4 -23.0 32 32 A K H 3> S+ 0 0 167 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.813 115.6 50.9 -78.0 -28.1 21.5 -12.3 -23.8 33 33 A E H <> S+ 0 0 24 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.851 108.7 52.3 -75.4 -34.9 22.8 -9.9 -21.0 34 34 A L H X S+ 0 0 2 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.928 108.8 50.1 -61.3 -46.5 20.3 -11.6 -18.6 35 35 A K H X S+ 0 0 48 -4,-1.7 4,-2.7 -5,-0.3 -2,-0.2 0.893 107.6 54.1 -62.6 -37.0 21.9 -14.9 -19.6 36 36 A E H X S+ 0 0 63 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.948 107.3 50.7 -58.2 -49.5 25.3 -13.4 -19.0 37 37 A L H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 5,-0.4 0.942 111.8 48.0 -51.8 -51.0 24.2 -12.5 -15.4 38 38 A I H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.944 115.9 41.9 -59.0 -50.2 23.0 -16.1 -14.9 39 39 A Q H < S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 119.7 43.9 -67.9 -33.1 26.2 -17.7 -16.2 40 40 A K H < S+ 0 0 107 -4,-2.6 3,-0.3 -5,-0.2 -1,-0.2 0.769 122.7 36.4 -85.0 -27.2 28.5 -15.2 -14.4 41 41 A E H < S+ 0 0 2 -4,-2.6 52,-1.8 -5,-0.3 2,-1.0 0.909 124.7 39.9 -83.9 -52.0 26.6 -15.3 -11.0 42 42 A L S < S- 0 0 30 -4,-2.6 2,-2.4 -5,-0.4 -1,-0.2 -0.758 86.0-158.3-101.3 79.8 25.7 -19.0 -11.1 43 43 A T + 0 0 104 -2,-1.0 2,-0.9 -3,-0.3 -4,-0.1 -0.338 28.8 159.8 -70.9 68.1 29.0 -20.3 -12.5 44 44 A I > + 0 0 10 -2,-2.4 3,-2.1 -5,-0.1 6,-0.2 -0.119 23.8 179.7 -76.1 35.6 27.9 -23.7 -13.9 45 45 A G T 3 - 0 0 59 -2,-0.9 3,-0.1 1,-0.3 -2,-0.0 -0.201 65.3 -2.4 -55.6 124.8 31.1 -23.7 -16.1 46 46 A S T 3 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.294 103.4 126.2 74.1 -2.8 31.4 -26.9 -18.4 47 47 A K S X S- 0 0 98 -3,-2.1 3,-0.7 1,-0.1 -1,-0.3 -0.429 70.0-121.5 -79.7 159.9 28.1 -28.4 -16.9 48 48 A L T > S+ 0 0 157 1,-0.2 3,-1.3 -2,-0.1 4,-0.2 0.548 90.1 95.5 -75.6 -9.5 25.1 -29.6 -19.1 49 49 A Q T >> + 0 0 36 1,-0.2 4,-2.2 2,-0.2 3,-1.3 0.527 53.4 90.3 -68.9 -5.2 22.6 -27.2 -17.3 50 50 A D H <> S+ 0 0 54 -3,-0.7 4,-2.5 1,-0.3 -1,-0.2 0.854 83.4 59.7 -60.2 -28.9 22.9 -24.3 -19.9 51 51 A A H <> S+ 0 0 64 -3,-1.3 4,-0.5 2,-0.2 -1,-0.3 0.775 107.3 45.3 -64.9 -27.2 20.0 -26.1 -21.7 52 52 A E H <> S+ 0 0 58 -3,-1.3 4,-2.6 -4,-0.2 -2,-0.2 0.830 109.3 56.4 -81.0 -34.8 18.1 -25.4 -18.4 53 53 A I H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.898 102.1 54.3 -65.5 -39.5 19.4 -21.8 -18.3 54 54 A V H X S+ 0 0 59 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.828 112.8 44.7 -65.1 -26.8 18.0 -21.1 -21.8 55 55 A K H X S+ 0 0 64 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.887 111.6 51.3 -77.9 -38.1 14.6 -22.3 -20.4 56 56 A L H X S+ 0 0 7 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.902 109.3 52.4 -60.6 -40.0 15.2 -20.2 -17.2 57 57 A M H X S+ 0 0 33 -4,-3.0 4,-3.2 2,-0.2 -1,-0.2 0.896 107.5 50.9 -59.8 -43.6 15.9 -17.2 -19.6 58 58 A D H X S+ 0 0 70 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.840 109.6 50.5 -64.7 -33.2 12.5 -18.0 -21.3 59 59 A D H < S+ 0 0 4 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.864 115.4 42.9 -68.7 -36.6 10.8 -17.9 -17.8 60 60 A L H >< S+ 0 0 6 -4,-2.0 3,-1.6 1,-0.2 4,-0.4 0.923 111.4 53.7 -72.0 -46.3 12.5 -14.5 -17.1 61 61 A D H 3< S+ 0 0 11 -4,-3.2 3,-0.2 1,-0.3 -1,-0.2 0.633 87.4 82.5 -64.6 -16.8 11.8 -13.1 -20.7 62 62 A R T 3< S+ 0 0 112 -4,-0.7 -1,-0.3 1,-0.2 3,-0.2 0.726 87.5 56.3 -62.6 -20.5 8.0 -14.0 -20.0 63 63 A N S < S- 0 0 69 -3,-1.6 -1,-0.2 1,-0.3 2,-0.2 0.895 138.7 -22.3 -71.5 -42.9 7.9 -10.6 -18.2 64 64 A K - 0 0 120 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 -0.783 56.3-151.0-170.8 126.5 9.2 -8.9 -21.4 65 65 A D S S+ 0 0 80 -2,-0.2 -34,-0.4 1,-0.2 3,-0.2 0.819 93.2 52.9 -74.8 -34.2 11.2 -10.5 -24.3 66 66 A Q S S- 0 0 132 1,-0.3 -35,-0.8 -36,-0.1 2,-0.3 0.950 130.9 -17.6 -69.8 -51.0 13.2 -7.4 -25.5 67 67 A E E -A 30 0A 67 -37,-0.2 2,-0.5 -6,-0.1 -1,-0.3 -0.928 63.2-130.5-160.8 134.7 14.6 -6.6 -22.0 68 68 A V E -A 29 0A 0 -39,-2.8 -39,-2.3 -2,-0.3 2,-0.1 -0.754 27.9-132.5 -90.5 124.2 13.7 -7.6 -18.4 69 69 A N E > -A 28 0A 37 -2,-0.5 4,-2.3 -41,-0.2 3,-0.5 -0.451 19.2-112.0 -79.0 151.2 13.4 -4.7 -15.9 70 70 A F H > S+ 0 0 0 -43,-2.6 4,-2.0 1,-0.2 5,-0.1 0.814 115.3 53.1 -47.0 -43.5 14.9 -4.8 -12.4 71 71 A Q H > S+ 0 0 58 2,-0.2 4,-2.2 -44,-0.2 -1,-0.2 0.924 112.3 44.2 -66.6 -40.4 11.6 -4.9 -10.6 72 72 A E H > S+ 0 0 66 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.831 109.0 57.4 -73.1 -32.3 10.4 -8.0 -12.6 73 73 A Y H X S+ 0 0 8 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.898 109.7 45.7 -61.0 -39.1 13.9 -9.6 -12.1 74 74 A I H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.909 108.4 55.5 -71.7 -39.0 13.2 -9.2 -8.3 75 75 A T H X S+ 0 0 23 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.882 109.6 48.4 -55.2 -40.0 9.6 -10.6 -8.8 76 76 A F H X S+ 0 0 16 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.902 107.8 52.0 -69.3 -42.0 11.4 -13.7 -10.4 77 77 A L H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.836 105.4 58.5 -61.9 -28.1 13.9 -14.0 -7.5 78 78 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.905 108.3 43.7 -65.3 -41.3 10.7 -13.9 -5.2 79 79 A A H X S+ 0 0 7 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.934 112.2 53.4 -64.8 -44.9 9.5 -17.1 -7.1 80 80 A L H X S+ 0 0 22 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.882 110.8 46.4 -57.6 -41.3 13.0 -18.6 -6.9 81 81 A A H < S+ 0 0 1 -4,-2.4 -1,-0.2 2,-0.2 7,-0.2 0.816 114.3 48.0 -70.8 -32.3 13.0 -18.0 -3.1 82 82 A M H >< S+ 0 0 70 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.871 109.7 51.8 -74.3 -38.9 9.5 -19.5 -2.8 83 83 A I H 3< S+ 0 0 40 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.627 83.2 90.8 -75.6 -12.9 10.3 -22.6 -5.0 84 84 A Y T 3< S- 0 0 4 -4,-0.7 2,-2.5 -5,-0.2 -1,-0.2 0.610 75.5-162.9 -57.6 -16.7 13.4 -23.3 -2.7 85 85 A N S < S+ 0 0 84 -3,-1.0 -1,-0.2 1,-0.3 3,-0.1 -0.297 75.5 52.8 72.0 -60.0 10.9 -25.5 -0.7 86 86 A E S >> S+ 0 0 75 -2,-2.5 4,-2.7 1,-0.2 3,-1.8 0.774 94.3 71.0 -76.3 -29.9 12.9 -25.8 2.6 87 87 A A T 34 S+ 0 0 1 1,-0.3 -1,-0.2 2,-0.2 -5,-0.1 0.894 100.2 45.1 -58.8 -44.2 13.4 -22.0 3.1 88 88 A L T 34 S+ 0 0 12 -7,-0.2 -1,-0.3 -6,-0.2 -2,-0.1 0.154 118.1 46.4 -86.0 15.5 9.7 -21.4 3.9 89 89 A K T <4 0 0 142 -3,-1.8 -2,-0.2 0, 0.0 -1,-0.2 0.605 360.0 360.0-121.4 -36.6 9.8 -24.5 6.3 90 90 A G < 0 0 53 -4,-2.7 -2,-0.1 0, 0.0 -3,-0.1 0.222 360.0 360.0 116.9 360.0 13.1 -23.9 8.3 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 1 B M > 0 0 93 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 170.5 28.2 -14.4 -7.1 93 2 B A H > + 0 0 24 -52,-1.8 4,-2.9 1,-0.2 3,-0.2 0.901 360.0 42.8 -47.3 -62.4 26.0 -17.4 -6.2 94 3 B S H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.887 113.1 53.1 -60.7 -43.1 26.7 -17.6 -2.4 95 4 B P H > S+ 0 0 28 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.868 116.4 40.0 -55.9 -39.7 26.5 -13.8 -1.9 96 5 B L H X S+ 0 0 15 -4,-2.1 4,-2.7 -3,-0.2 5,-0.3 0.920 111.5 56.5 -74.3 -43.8 23.0 -13.8 -3.7 97 6 B D H X S+ 0 0 12 -4,-2.9 4,-1.0 1,-0.2 -3,-0.2 0.841 110.5 44.6 -60.5 -36.3 21.8 -17.1 -2.0 98 7 B Q H X S+ 0 0 87 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.835 111.6 53.9 -74.6 -32.3 22.4 -15.6 1.5 99 8 B A H X S+ 0 0 6 -4,-1.0 4,-1.4 2,-0.2 3,-0.5 0.928 109.3 45.9 -70.4 -42.9 20.7 -12.3 0.5 100 9 B I H X S+ 0 0 12 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.828 110.5 57.5 -66.0 -25.8 17.5 -14.0 -0.7 101 10 B G H X S+ 0 0 0 -4,-1.0 4,-2.2 -5,-0.3 -2,-0.2 0.753 99.2 58.4 -71.9 -25.5 17.9 -16.0 2.7 102 11 B L H X S+ 0 0 36 -4,-1.1 4,-1.9 -3,-0.5 5,-0.2 0.946 103.7 51.2 -66.2 -47.5 17.8 -12.6 4.5 103 12 B L H X S+ 0 0 4 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.895 116.2 40.2 -59.1 -42.3 14.3 -11.8 3.0 104 13 B I H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 5,-0.3 0.880 111.5 57.2 -74.2 -36.0 12.9 -15.2 4.1 105 14 B G H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 4,-0.2 0.771 116.8 36.8 -64.1 -28.5 14.8 -15.0 7.5 106 15 B I H X S+ 0 0 2 -4,-1.9 4,-0.5 -5,-0.1 3,-0.5 0.921 121.1 44.5 -80.2 -56.6 12.9 -11.7 8.1 107 16 B F H >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-1.3 0.879 105.4 54.8 -62.7 -50.3 9.5 -12.6 6.5 108 17 B H H 3X S+ 0 0 20 -4,-2.2 4,-2.0 1,-0.3 -1,-0.2 0.742 97.2 64.6 -70.2 -20.0 8.8 -16.1 7.8 109 18 B K H 34 S+ 0 0 28 -3,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.822 112.7 36.6 -63.7 -35.1 9.1 -15.2 11.5 110 19 B Y H X< S+ 0 0 13 -3,-1.3 3,-1.4 -4,-0.5 4,-0.2 0.893 118.2 46.9 -84.4 -47.0 6.1 -12.9 11.1 111 20 B S H >< S+ 0 0 1 -4,-2.1 3,-0.5 1,-0.3 6,-0.3 0.928 118.8 42.6 -63.5 -41.6 3.9 -15.0 8.6 112 21 B G T 3< S+ 0 0 25 -4,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.151 82.8 107.7 -86.3 15.0 4.5 -18.1 10.8 113 22 B K T < S+ 0 0 120 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.796 97.0 16.6 -68.2 -28.1 3.9 -16.3 14.1 114 23 B E S < S- 0 0 139 -3,-0.5 2,-0.3 -4,-0.2 -1,-0.2 0.048 136.3 -16.3-132.1 21.9 0.4 -17.9 14.7 115 24 B G S S- 0 0 45 -3,-0.4 -1,-0.0 2,-0.1 0, 0.0 -0.980 88.6 -63.1 173.2-163.1 0.5 -20.9 12.3 116 25 B D S S+ 0 0 139 -2,-0.3 -4,-0.2 -3,-0.1 -5,-0.1 0.295 81.8 145.7 -86.6 3.5 2.3 -22.5 9.2 117 26 B K - 0 0 54 -6,-0.3 -2,-0.1 1,-0.1 -4,-0.1 -0.012 43.4-161.2 -58.5 147.3 1.1 -19.4 7.1 118 27 B H + 0 0 63 -7,-0.1 43,-1.0 -6,-0.1 2,-0.3 0.042 65.4 80.2-118.2 19.4 3.1 -17.8 4.3 119 28 B T E -B 160 0B 21 -8,-0.2 2,-0.5 41,-0.2 41,-0.2 -0.887 68.9-131.5-124.3 156.3 1.3 -14.4 4.1 120 29 B L E -B 159 0B 1 39,-3.0 39,-2.4 -2,-0.3 2,-0.1 -0.956 16.8-155.4-111.5 120.8 1.7 -11.1 6.2 121 30 B S E > -B 158 0B 31 -2,-0.5 4,-2.2 37,-0.3 5,-0.3 -0.311 42.7 -88.0 -78.6 173.2 -1.4 -9.4 7.6 122 31 B K H > S+ 0 0 93 35,-0.5 4,-1.5 1,-0.2 5,-0.1 0.868 130.5 46.1 -56.1 -38.7 -1.4 -5.6 8.4 123 32 B K H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.898 110.2 54.6 -70.7 -39.5 -0.2 -6.2 12.0 124 33 B E H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.934 109.4 45.6 -58.8 -51.4 2.6 -8.7 10.8 125 34 B L H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.920 114.4 47.7 -66.1 -41.6 4.1 -6.3 8.3 126 35 B K H X S+ 0 0 60 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.2 0.929 114.2 46.5 -63.4 -43.6 4.1 -3.4 10.7 127 36 B E H X S+ 0 0 112 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.888 110.9 54.3 -65.1 -38.2 5.7 -5.6 13.5 128 37 B L H X>S+ 0 0 1 -4,-2.7 4,-2.9 -5,-0.2 5,-0.6 0.950 113.6 40.7 -58.1 -52.7 8.3 -6.9 11.0 129 38 B I H X>S+ 0 0 18 -4,-2.5 4,-2.0 1,-0.2 5,-1.6 0.969 116.0 48.3 -64.3 -52.4 9.4 -3.4 10.0 130 39 B Q H <5S+ 0 0 33 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.780 123.3 34.1 -64.3 -27.3 9.4 -1.9 13.6 131 40 B K H <5S+ 0 0 131 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.902 129.2 30.0 -86.9 -50.4 11.3 -5.0 15.0 132 41 B E H <5S+ 0 0 30 -4,-2.9 -3,-0.2 -5,-0.3 -127,-0.2 0.830 139.2 17.9 -85.6 -35.5 13.7 -5.9 12.1 133 42 B L T < - 0 0 55 -3,-0.1 3,-2.5 1,-0.0 -1,-0.4 -0.973 64.5-126.9-147.8 139.3 12.2 8.6 13.3 138 47 B K G > S+ 0 0 139 -2,-0.3 3,-1.4 1,-0.3 4,-0.2 0.716 106.9 72.9 -60.2 -18.3 9.0 7.3 15.1 139 48 B L G > S+ 0 0 154 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.724 87.8 63.6 -63.1 -23.4 7.2 10.3 13.6 140 49 B Q G X> S+ 0 0 29 -3,-2.5 4,-1.8 1,-0.2 3,-1.4 0.472 71.3 98.2 -80.1 -4.8 7.3 8.5 10.2 141 50 B D H <> S+ 0 0 40 -3,-1.4 4,-2.5 1,-0.3 -1,-0.2 0.821 76.5 60.4 -60.1 -28.4 5.1 5.5 11.6 142 51 B A H <> S+ 0 0 61 -3,-0.6 4,-0.7 2,-0.2 -1,-0.3 0.817 107.8 44.9 -64.5 -31.7 2.0 7.2 9.9 143 52 B E H <> S+ 0 0 73 -3,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.789 108.0 58.7 -80.7 -28.6 3.9 6.8 6.6 144 53 B I H X S+ 0 0 7 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.934 105.5 48.5 -64.3 -43.1 4.8 3.1 7.6 145 54 B V H X S+ 0 0 50 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.801 111.7 50.5 -67.8 -24.0 1.1 2.3 7.9 146 55 B K H X S+ 0 0 94 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.906 110.0 48.9 -75.4 -38.7 0.6 3.9 4.5 147 56 B L H X S+ 0 0 4 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.893 111.1 51.4 -60.9 -39.3 3.5 1.7 3.1 148 57 B M H X S+ 0 0 26 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.905 109.9 48.3 -62.5 -43.2 1.7 -1.2 4.8 149 58 B D H X S+ 0 0 37 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.854 110.8 50.9 -66.3 -35.4 -1.6 -0.2 3.0 150 59 B D H < S+ 0 0 25 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.749 110.7 49.9 -72.9 -24.9 0.4 0.0 -0.3 151 60 B L H >< S+ 0 0 4 -4,-1.5 3,-1.2 -5,-0.2 -2,-0.2 0.923 110.9 47.8 -73.4 -48.2 1.8 -3.5 0.4 152 61 B D H >X S+ 0 0 6 -4,-2.5 4,-3.2 1,-0.2 3,-2.0 0.659 87.3 91.4 -67.3 -13.9 -1.7 -4.9 1.0 153 62 B R T 3< S+ 0 0 131 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.757 78.9 63.0 -49.9 -28.9 -2.8 -3.1 -2.2 154 63 B N T <4 S+ 0 0 85 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.1 0.747 126.2 4.9 -67.9 -29.5 -2.0 -6.4 -4.0 155 64 B K T <4 S- 0 0 97 -3,-2.0 -2,-0.2 -4,-0.1 -1,-0.1 0.537 83.7-133.0-140.2 -19.0 -4.7 -8.5 -2.1 156 65 B D S < S+ 0 0 133 -4,-3.2 -3,-0.1 1,-0.2 -4,-0.1 0.791 95.7 42.0 66.3 35.3 -6.9 -6.2 0.1 157 66 B Q S S- 0 0 108 -5,-0.3 -35,-0.5 -35,-0.0 2,-0.3 0.094 125.5 -7.8-166.0 -56.3 -6.7 -8.4 3.3 158 67 B E E -B 121 0B 35 -37,-0.2 2,-0.3 -6,-0.2 -37,-0.3 -0.958 69.0-118.2-157.0 142.9 -3.1 -9.8 3.8 159 68 B V E -B 120 0B 4 -39,-2.4 -39,-3.0 -2,-0.3 2,-0.1 -0.649 25.2-136.2 -92.7 135.0 0.0 -9.6 1.4 160 69 B N E > -B 119 0B 33 -2,-0.3 4,-2.4 -41,-0.2 3,-0.3 -0.459 25.6-102.5 -91.3 160.9 1.7 -12.8 0.0 161 70 B F H > S+ 0 0 0 -43,-1.0 4,-2.1 1,-0.2 5,-0.2 0.847 116.7 45.1 -53.8 -48.6 5.5 -13.6 -0.2 162 71 B Q H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 114.9 49.6 -67.3 -35.8 6.1 -12.9 -3.9 163 72 B E H > S+ 0 0 54 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.876 108.8 52.7 -70.1 -38.3 4.1 -9.6 -3.8 164 73 B Y H X S+ 0 0 4 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.919 112.6 45.0 -59.6 -43.6 6.1 -8.5 -0.7 165 74 B I H X S+ 0 0 5 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.901 110.2 54.4 -69.6 -37.6 9.4 -9.2 -2.6 166 75 B T H X S+ 0 0 29 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.908 109.4 48.3 -59.9 -42.1 7.9 -7.4 -5.7 167 76 B F H X S+ 0 0 16 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.883 106.2 55.7 -66.5 -38.5 7.3 -4.3 -3.4 168 77 B L H X S+ 0 0 9 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.820 103.2 57.9 -62.0 -26.3 10.9 -4.7 -2.1 169 78 B G H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.868 108.0 44.6 -67.8 -36.8 11.8 -4.4 -5.8 170 79 B A H X S+ 0 0 11 -4,-1.2 4,-1.4 -3,-0.2 -2,-0.2 0.893 113.0 50.9 -70.7 -39.3 10.0 -1.0 -5.9 171 80 B L H X S+ 0 0 7 -4,-2.5 4,-0.8 2,-0.2 3,-0.3 0.917 110.5 49.2 -63.1 -41.4 11.7 -0.0 -2.5 172 81 B A H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.851 106.2 57.1 -63.9 -35.7 15.0 -1.0 -4.1 173 82 B M H 3< S+ 0 0 52 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.796 94.6 65.8 -66.5 -28.5 14.1 1.2 -7.2 174 83 B I H 3< S+ 0 0 31 -4,-1.4 2,-1.5 -3,-0.3 3,-0.2 0.861 89.8 66.0 -61.0 -31.9 13.7 4.2 -4.7 175 84 B Y S XX S+ 0 0 19 -4,-0.8 3,-1.4 -3,-0.6 4,-0.5 -0.271 73.5 160.1 -78.2 50.2 17.5 3.9 -4.2 176 85 B N G >4 + 0 0 54 -2,-1.5 3,-0.8 -3,-0.4 -1,-0.2 0.699 56.7 67.3 -55.6 -28.7 17.7 4.9 -7.9 177 86 B E G >> S+ 0 0 149 1,-0.2 4,-2.6 -3,-0.2 3,-1.6 0.898 98.5 52.6 -61.0 -40.2 21.4 6.1 -7.8 178 87 B A G <4 S+ 0 0 21 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.715 110.4 49.5 -67.2 -20.7 22.6 2.4 -7.2 179 88 B L G << S+ 0 0 3 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.054 115.3 43.8-103.3 18.1 20.5 1.5 -10.4 180 89 B K T <4 0 0 108 -3,-1.6 -2,-0.2 -153,-0.1 -3,-0.2 0.547 360.0 360.0-127.1 -36.4 22.1 4.4 -12.4 181 90 B G < 0 0 111 -4,-2.6 -3,-0.1 -5,-0.1 -4,-0.1 0.878 360.0 360.0 67.1 360.0 25.8 4.0 -11.4 182 !* 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 0.0 183 189 C S 0 0 144 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.6 2.2 12.4 -9.1 184 190 C E - 0 0 155 1,-0.1 2,-1.8 2,-0.0 0, 0.0 0.700 360.0-155.5 -66.4 -23.7 2.2 8.6 -8.8 185 191 C G S > S+ 0 0 37 1,-0.2 4,-0.5 4,-0.0 -1,-0.1 -0.276 75.3 78.8 79.2 -48.6 1.8 8.9 -4.9 186 192 C L H >> S+ 0 0 44 -2,-1.8 3,-2.6 1,-0.2 4,-1.6 0.963 91.1 47.2 -53.0 -65.4 3.4 5.4 -4.2 187 193 C M H 3> S+ 0 0 96 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.783 104.1 63.5 -56.1 -29.4 7.1 6.4 -4.7 188 194 C N H 34 S+ 0 0 88 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.668 106.5 43.8 -69.7 -16.2 6.6 9.5 -2.4 189 195 C V H X< S+ 0 0 21 -3,-2.6 3,-0.9 -4,-0.5 4,-0.3 0.844 114.5 48.7 -91.8 -40.9 5.8 7.2 0.6 190 196 C L H >X S+ 0 0 0 -4,-1.6 3,-1.8 1,-0.2 4,-0.8 0.851 99.8 67.8 -64.6 -35.4 8.7 4.7 -0.2 191 197 C K H 3X S+ 0 0 130 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.742 89.3 65.8 -58.7 -22.9 11.0 7.8 -0.5 192 198 C K H <4 S+ 0 0 57 -3,-0.9 -1,-0.3 1,-0.2 3,-0.2 0.774 95.1 57.0 -69.8 -24.1 10.5 8.3 3.3 193 199 C I H X4 S+ 0 0 20 -3,-1.8 3,-1.7 -4,-0.3 -1,-0.2 0.810 94.9 65.1 -80.1 -27.6 12.3 4.9 4.0 194 200 C Y H >< S+ 0 0 119 -4,-0.8 3,-1.0 1,-0.3 4,-0.2 0.861 93.1 63.6 -54.1 -37.8 15.5 6.2 2.1 195 201 C E T 3< S+ 0 0 126 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.368 70.4 100.7 -72.5 0.6 15.8 8.8 4.9 196 202 C D T < S- 0 0 20 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.1 0.800 87.1-131.6 -58.9 -30.5 16.4 5.9 7.4 197 203 C G < + 0 0 56 -3,-1.0 -2,-0.1 -4,-0.2 -3,-0.1 0.723 36.7 176.7 89.3 26.5 20.2 6.8 7.2 198 204 C D - 0 0 31 -4,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.174 21.8-171.9 -62.9 154.9 21.8 3.3 6.7 199 205 C D S S+ 0 0 64 2,-0.1 4,-0.3 3,-0.0 -1,-0.1 0.487 76.3 62.1-121.9 -16.5 25.6 2.8 6.1 200 206 C D S > S+ 0 0 60 2,-0.2 4,-2.5 3,-0.1 3,-0.5 0.823 92.2 61.8 -88.0 -33.0 25.9 -1.0 5.2 201 207 C M H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.947 104.3 49.6 -59.2 -46.8 23.8 -1.0 2.0 202 208 C K H > S+ 0 0 111 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.702 113.3 48.1 -67.3 -18.6 26.2 1.4 0.2 203 209 C R H > S+ 0 0 125 -3,-0.5 4,-2.2 -4,-0.3 -2,-0.2 0.858 110.8 50.0 -82.6 -39.1 29.1 -0.9 1.4 204 210 C T H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.868 106.8 53.8 -72.8 -36.6 27.4 -4.2 0.2 205 211 C I H X S+ 0 0 21 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.948 109.6 49.6 -58.2 -47.4 26.6 -2.7 -3.3 206 212 C N H X S+ 0 0 100 -4,-0.7 4,-3.1 -5,-0.2 3,-0.5 0.932 110.6 49.4 -59.4 -45.7 30.4 -1.9 -3.6 207 213 C K H X S+ 0 0 149 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.937 109.7 51.7 -56.7 -46.9 31.3 -5.5 -2.5 208 214 C A H < S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.729 116.3 41.0 -66.1 -22.8 28.8 -7.0 -5.1 209 215 C W H >< S+ 0 0 94 -4,-1.5 3,-1.8 -3,-0.5 -2,-0.2 0.873 110.2 57.6 -82.1 -44.5 30.5 -4.8 -7.8 210 216 C V H >< S+ 0 0 61 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.750 91.6 69.3 -67.7 -26.4 34.1 -5.4 -6.6 211 217 C E T 3< S+ 0 0 57 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.695 102.8 46.8 -59.0 -21.4 33.9 -9.2 -7.0 212 218 C S T < 0 0 67 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.113 360.0 360.0-111.5 17.0 33.8 -8.7 -10.8 213 219 C R < 0 0 277 -3,-1.4 -3,-0.0 0, 0.0 -4,-0.0 -0.257 360.0 360.0 -59.6 360.0 36.7 -6.2 -11.1 214 !* 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 0.0 215 189 D S 0 0 175 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.5 0.6 -23.7 -17.3 216 190 D E - 0 0 113 1,-0.1 2,-1.7 -157,-0.0 3,-0.3 -0.393 360.0-111.2 -69.5 151.2 4.4 -23.7 -17.9 217 191 D G > + 0 0 39 1,-0.2 4,-0.8 2,-0.1 3,-0.4 -0.248 61.2 149.8 -79.2 48.0 6.6 -26.0 -15.8 218 192 D L H >> + 0 0 57 -2,-1.7 4,-2.3 1,-0.2 3,-2.3 0.933 66.6 45.9 -48.8 -67.5 8.2 -23.1 -13.9 219 193 D M H 3> S+ 0 0 117 1,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.763 107.6 60.0 -54.7 -26.3 9.0 -24.8 -10.5 220 194 D N H 34 S+ 0 0 72 -3,-0.4 -1,-0.3 2,-0.2 4,-0.2 0.705 112.4 37.8 -76.3 -19.0 10.5 -27.8 -12.4 221 195 D V H << S+ 0 0 13 -3,-2.3 3,-0.5 -4,-0.8 4,-0.2 0.786 115.8 52.1 -97.0 -36.8 13.2 -25.5 -14.1 222 196 D L H >X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 3,-1.7 0.841 99.0 66.1 -68.8 -30.1 13.7 -23.3 -11.0 223 197 D K H 3X S+ 0 0 79 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.869 91.1 63.8 -55.7 -35.6 14.3 -26.6 -9.0 224 198 D K H 34 S+ 0 0 64 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.2 0.684 107.3 42.7 -65.3 -17.2 17.5 -27.0 -11.1 225 199 D I H X> S+ 0 0 13 -3,-1.7 4,-1.9 -4,-0.2 3,-1.3 0.811 109.9 54.3 -95.2 -39.8 18.7 -23.7 -9.4 226 200 D Y H 3< S+ 0 0 41 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.934 111.4 47.6 -51.6 -47.5 17.6 -24.6 -5.9 227 201 D E T 3< S+ 0 0 144 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.412 113.7 48.0 -79.7 -0.1 19.6 -27.8 -6.3 228 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