==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 31-JAN-12 2LP2 . COMPND 2 MOLECULE: PROTEIN S100-A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.E.NOWAKOWSKI,L.JAREMKO,M.JAREMKO,K.ZDANOWSKI,A.EJCHART . 188 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 73.4 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 3.2 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.2 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 2 0 2 0 0 0 0 0 0 0 2 2 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 1 A G 0 0 90 0, 0.0 134,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -88.2 -8.2 8.9 12.7 2 2 A S > - 0 0 35 132,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.219 360.0-116.2 -62.7 154.9 -9.5 5.8 10.9 3 3 A E H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 116.1 56.6 -61.7 -37.6 -7.4 2.6 11.2 4 4 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 108.8 47.7 -61.1 -41.3 -6.8 2.6 7.4 5 5 A E H > S+ 0 0 40 129,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.888 106.7 56.8 -65.1 -37.6 -5.4 6.1 7.8 6 6 A T H X S+ 0 0 67 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.921 108.5 47.8 -59.3 -41.0 -3.3 4.9 10.7 7 7 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.937 110.9 49.7 -64.3 -45.9 -1.8 2.3 8.4 8 8 A M H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.921 111.5 49.7 -59.9 -41.1 -1.2 4.9 5.7 9 9 A E H X S+ 0 0 97 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.873 107.6 55.0 -65.2 -35.7 0.5 7.1 8.2 10 10 A T H X S+ 0 0 18 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.924 107.1 49.0 -64.0 -42.9 2.6 4.1 9.3 11 11 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.938 113.8 47.2 -61.7 -42.7 3.8 3.6 5.8 12 12 A I H X S+ 0 0 21 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.924 111.6 51.1 -61.9 -45.2 4.6 7.2 5.6 13 13 A N H X S+ 0 0 92 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.874 113.2 43.7 -62.0 -40.6 6.3 7.1 9.0 14 14 A V H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.936 115.4 47.5 -74.6 -41.6 8.6 4.2 8.1 15 15 A F H X>S+ 0 0 2 -4,-2.6 4,-3.0 -5,-0.3 5,-0.5 0.962 117.6 43.2 -60.4 -48.1 9.5 5.4 4.6 16 16 A H H X>S+ 0 0 86 -4,-2.8 4,-1.7 -5,-0.3 5,-0.6 0.845 107.3 62.7 -63.8 -35.0 10.2 8.8 6.1 17 17 A A H X5S+ 0 0 45 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.969 117.7 25.4 -57.8 -51.6 12.0 7.1 9.0 18 18 A H H X5S+ 0 0 17 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.962 126.7 43.6 -79.2 -52.2 14.6 5.6 6.6 19 19 A S H <5S+ 0 0 0 -4,-3.0 -3,-0.2 -5,-0.3 7,-0.2 0.931 123.4 42.2 -58.0 -40.9 14.6 8.0 3.7 20 20 A G H < - 0 0 120 1,-0.1 3,-1.3 2,-0.1 -2,-0.2 -0.447 68.5-132.0 -71.1 139.5 17.6 12.4 0.7 25 25 A K T 3 S+ 0 0 87 1,-0.3 -5,-0.3 -2,-0.1 -1,-0.1 0.793 106.0 39.4 -61.6 -32.5 14.3 12.4 2.6 26 26 A Y T 3 S+ 0 0 69 -7,-0.2 45,-0.7 -6,-0.1 2,-0.4 0.146 107.7 71.4-106.7 20.1 12.3 11.4 -0.4 27 27 A K E < -A 70 0A 52 -3,-1.3 2,-0.5 -8,-0.2 43,-0.2 -0.999 63.2-151.2-138.0 137.8 14.8 8.8 -1.9 28 28 A L E -A 69 0A 0 41,-2.9 41,-3.0 -2,-0.4 2,-0.2 -0.928 13.4-159.8-112.1 128.6 15.7 5.4 -0.6 29 29 A S > - 0 0 34 -2,-0.5 4,-3.5 39,-0.2 5,-0.4 -0.546 33.5-102.1-101.3 166.8 19.2 3.9 -1.4 30 30 A K H > S+ 0 0 106 37,-0.3 4,-2.4 1,-0.2 5,-0.2 0.920 122.2 46.4 -53.4 -48.4 20.3 0.3 -1.3 31 31 A K H > S+ 0 0 104 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.940 115.8 45.6 -61.0 -48.5 22.0 0.6 2.0 32 32 A E H >> S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 3,-0.8 0.953 113.2 47.3 -63.1 -49.9 19.1 2.4 3.6 33 33 A L H 3X S+ 0 0 10 -4,-3.5 4,-2.7 1,-0.3 5,-0.4 0.904 105.1 61.2 -61.0 -35.7 16.4 0.1 2.2 34 34 A K H 3X S+ 0 0 76 -4,-2.4 4,-1.2 -5,-0.4 -1,-0.3 0.905 110.5 41.7 -55.5 -37.0 18.5 -2.8 3.4 35 35 A E H S+ 0 0 76 -2,-0.4 4,-3.0 3,-0.1 5,-0.2 0.737 75.7 37.4-113.4 -68.3 11.9 -10.0 8.9 43 43 A G H > S+ 0 0 42 1,-0.2 4,-2.2 3,-0.2 5,-0.1 0.829 112.0 59.8 -58.4 -37.7 10.5 -13.1 7.1 44 44 A F H > S+ 0 0 52 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.970 119.6 25.6 -60.3 -53.0 10.0 -11.3 3.8 45 45 A L H >> S+ 0 0 28 -8,-0.2 3,-0.9 1,-0.2 4,-0.7 0.888 122.0 56.1 -75.8 -40.1 13.6 -10.3 3.3 46 46 A D H >< S+ 0 0 109 -4,-3.0 3,-0.8 1,-0.2 -3,-0.2 0.805 94.4 68.8 -60.5 -33.3 15.0 -13.2 5.4 47 47 A A H 3< S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.846 91.7 59.2 -58.1 -34.8 13.1 -15.7 3.2 48 48 A Q H << S- 0 0 105 -3,-0.9 2,-1.5 -4,-0.5 -1,-0.3 0.869 81.3-171.2 -61.7 -34.4 15.4 -15.0 0.3 49 49 A K << + 0 0 179 -3,-0.8 -1,-0.2 -4,-0.7 2,-0.1 0.029 46.1 114.9 67.6 -32.5 18.3 -16.0 2.5 50 50 A D > - 0 0 97 -2,-1.5 3,-0.8 1,-0.1 4,-0.3 -0.426 66.2-142.4 -70.5 142.7 20.7 -14.8 -0.2 51 51 A V T > S+ 0 0 115 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.803 104.6 53.7 -72.7 -29.6 22.8 -11.8 0.7 52 52 A D T 3> S+ 0 0 85 1,-0.2 4,-2.5 2,-0.1 -1,-0.2 0.400 81.0 98.3 -83.7 1.9 22.4 -10.4 -2.9 53 53 A A H <> S+ 0 0 4 -3,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.881 77.2 56.3 -58.2 -38.2 18.7 -10.7 -2.4 54 54 A V H <> S+ 0 0 9 -3,-0.7 4,-2.6 -4,-0.3 -1,-0.2 0.930 108.3 47.3 -59.8 -44.0 18.5 -7.0 -1.5 55 55 A D H > S+ 0 0 60 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.921 112.1 49.7 -62.9 -43.6 20.1 -6.1 -4.8 56 56 A K H X S+ 0 0 115 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.891 112.3 48.6 -62.0 -40.3 17.8 -8.4 -6.6 57 57 A V H X S+ 0 0 36 -4,-2.8 4,-1.4 -5,-0.2 3,-0.2 0.923 110.2 49.6 -66.8 -46.4 14.8 -6.9 -4.9 58 58 A M H X S+ 0 0 21 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.838 101.6 62.1 -65.0 -34.3 15.8 -3.2 -5.6 59 59 A K H < S+ 0 0 160 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.923 106.3 46.4 -58.9 -41.1 16.4 -3.8 -9.3 60 60 A E H < S+ 0 0 161 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.884 112.1 51.6 -65.5 -39.6 12.8 -4.7 -9.7 61 61 A L H < S+ 0 0 19 -4,-1.4 2,-3.3 1,-0.2 3,-0.4 0.834 87.3 84.0 -67.7 -35.4 11.7 -1.7 -7.7 62 62 A D < + 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 5,-0.1 -0.331 44.4 150.9 -72.2 72.6 13.7 0.8 -9.6 63 63 A E S S+ 0 0 179 -2,-3.3 -1,-0.2 1,-0.3 -2,-0.1 0.909 76.6 58.0 -62.9 -37.6 11.0 1.2 -12.3 64 64 A N S S- 0 0 100 -3,-0.4 -1,-0.3 4,-0.2 -2,-0.1 0.854 100.9-144.7 -57.9 -39.7 12.5 4.6 -12.5 65 65 A G + 0 0 56 3,-0.3 -2,-0.1 -6,-0.1 -1,-0.1 0.685 60.8 125.2 79.9 18.7 15.9 3.1 -13.3 66 66 A D S S- 0 0 48 2,-0.4 3,-0.1 1,-0.0 -3,-0.1 0.439 85.4-108.3 -89.5 2.3 17.8 5.7 -11.3 67 67 A G S S+ 0 0 45 1,-0.3 -37,-0.3 -5,-0.1 2,-0.3 0.400 93.5 91.3 87.1 -2.6 19.6 3.1 -9.2 68 68 A E S S- 0 0 69 -39,-0.1 2,-0.5 -9,-0.1 -2,-0.4 -0.855 76.8-121.8-121.2 160.3 17.5 4.2 -6.2 69 69 A V E -A 28 0A 1 -41,-3.0 -41,-2.9 -2,-0.3 2,-0.2 -0.864 30.9-149.7-102.9 130.2 14.2 3.1 -4.8 70 70 A D E > -A 27 0A 39 -2,-0.5 4,-3.2 -9,-0.2 5,-0.3 -0.613 27.7-106.9-100.6 160.9 11.6 5.8 -4.6 71 71 A F H > S+ 0 0 5 -45,-0.7 4,-2.9 1,-0.3 5,-0.2 0.903 123.6 50.5 -50.6 -44.1 8.7 6.3 -2.2 72 72 A Q H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.915 111.1 48.3 -61.8 -40.5 6.3 5.3 -4.9 73 73 A E H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.930 114.2 46.4 -64.3 -42.7 8.4 2.2 -5.6 74 74 A Y H X S+ 0 0 3 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.882 109.0 56.8 -63.3 -40.8 8.4 1.4 -1.9 75 75 A V H X S+ 0 0 3 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.937 108.5 44.3 -60.4 -47.8 4.7 2.1 -1.8 76 76 A V H X S+ 0 0 76 -4,-2.5 4,-3.4 1,-0.2 5,-0.5 0.902 109.7 59.1 -67.3 -35.0 3.9 -0.5 -4.4 77 77 A L H X S+ 0 0 18 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.958 111.3 38.6 -56.8 -51.4 6.4 -2.9 -2.7 78 78 A V H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.888 119.7 47.7 -68.4 -36.2 4.5 -2.9 0.6 79 79 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.961 114.6 43.5 -68.9 -49.0 1.1 -2.8 -1.1 80 80 A A H X S+ 0 0 48 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.918 115.5 50.5 -62.9 -39.5 1.8 -5.6 -3.5 81 81 A L H X S+ 0 0 40 -4,-2.4 4,-2.0 -5,-0.5 -1,-0.2 0.871 107.1 56.1 -65.2 -34.3 3.4 -7.5 -0.7 82 82 A T H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.963 111.1 40.9 -63.1 -49.9 0.3 -6.9 1.4 83 83 A V H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.918 116.5 50.3 -64.0 -39.2 -2.1 -8.5 -1.1 84 84 A A H X S+ 0 0 48 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.827 108.8 55.0 -65.5 -30.4 0.4 -11.2 -1.7 85 85 A C H X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.970 107.9 44.8 -67.8 -54.4 0.6 -11.7 2.0 86 86 A N H X>S+ 0 0 17 -4,-2.6 4,-2.6 1,-0.2 5,-0.5 0.932 113.4 53.9 -55.9 -41.3 -3.1 -12.2 2.5 87 87 A N H X5S+ 0 0 47 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.912 106.7 51.0 -59.3 -40.7 -2.9 -14.5 -0.5 88 88 A F H <5S+ 0 0 112 -4,-2.3 -1,-0.2 5,-0.2 -2,-0.2 0.921 111.9 47.9 -63.6 -40.7 -0.2 -16.4 1.3 89 89 A F H <5S+ 0 0 165 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.1 0.990 126.1 24.7 -64.8 -60.3 -2.3 -16.7 4.4 90 90 A W H <5S+ 0 0 136 -4,-2.6 2,-0.3 -5,-0.1 -3,-0.2 0.926 128.9 49.1 -68.7 -44.3 -5.6 -17.9 2.8 91 91 A E S < - 0 0 33 -56,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.219 360.0-116.2 -62.7 154.8 6.7 -4.5 13.3 97 3 B E H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 116.1 56.6 -61.7 -37.5 4.6 -1.4 12.8 98 4 B L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 108.8 47.6 -61.0 -41.3 4.9 -1.7 9.0 99 5 B E H > S+ 0 0 41 -59,-0.3 4,-3.2 1,-0.2 5,-0.2 0.888 106.7 56.9 -65.1 -37.5 3.4 -5.2 9.4 100 6 B T H X S+ 0 0 67 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.918 108.5 47.8 -59.3 -40.9 0.7 -3.8 11.6 101 7 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.936 110.9 49.7 -64.5 -45.8 -0.2 -1.4 8.8 102 8 B M H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.921 111.6 49.6 -59.9 -41.1 -0.2 -4.3 6.2 103 9 B E H X S+ 0 0 97 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.880 107.6 55.0 -65.1 -36.4 -2.4 -6.2 8.6 104 10 B T H X S+ 0 0 18 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.925 107.1 49.0 -63.2 -43.0 -4.7 -3.2 8.9 105 11 B L H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.938 113.8 47.2 -61.9 -42.5 -5.0 -3.0 5.1 106 12 B I H X S+ 0 0 20 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.924 111.5 51.1 -61.8 -45.2 -5.9 -6.7 5.1 107 13 B N H X S+ 0 0 90 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.874 113.1 43.7 -62.0 -40.6 -8.3 -6.3 8.0 108 14 B V H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.936 115.4 47.4 -74.6 -41.5 -10.2 -3.4 6.3 109 15 B F H X>S+ 0 0 2 -4,-2.6 4,-3.0 -5,-0.3 5,-0.5 0.962 117.6 43.3 -60.6 -47.9 -10.3 -5.1 2.9 110 16 B H H X>S+ 0 0 87 -4,-2.8 4,-1.7 -5,-0.3 5,-0.6 0.845 107.3 62.7 -63.8 -34.9 -11.5 -8.3 4.5 111 17 B A H X5S+ 0 0 45 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.969 117.7 25.5 -58.0 -51.6 -13.8 -6.3 6.6 112 18 B H H X5S+ 0 0 15 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.963 126.7 43.5 -79.2 -52.2 -15.8 -5.1 3.7 113 19 B S H <5S+ 0 0 0 -4,-3.0 -3,-0.2 -5,-0.3 7,-0.2 0.931 123.4 42.3 -58.0 -41.0 -15.2 -7.8 1.0 114 20 B G H < - 0 0 121 1,-0.1 3,-1.3 2,-0.1 -2,-0.2 -0.446 68.5-132.0 -71.0 139.4 -17.4 -12.5 -2.1 119 25 B K T 3 S+ 0 0 86 1,-0.3 -5,-0.3 -2,-0.1 -1,-0.1 0.794 106.0 39.4 -61.5 -32.5 -14.7 -12.3 0.5 120 26 B Y T 3 S+ 0 0 67 -7,-0.2 45,-0.7 -6,-0.1 2,-0.4 0.147 107.7 71.5-106.5 20.0 -12.0 -11.5 -2.1 121 27 B K E < -B 164 0B 50 -3,-1.3 2,-0.5 -8,-0.2 43,-0.2 -0.999 63.1-151.3-137.9 137.9 -14.0 -9.1 -4.3 122 28 B L E -B 163 0B 0 41,-2.9 41,-3.0 -2,-0.4 2,-0.2 -0.928 13.4-159.8-112.2 128.5 -15.2 -5.6 -3.7 123 29 B S > - 0 0 31 -2,-0.5 4,-3.5 39,-0.2 5,-0.4 -0.546 33.5-102.1-101.3 166.7 -18.4 -4.2 -5.3 124 30 B K H > S+ 0 0 108 37,-0.3 4,-2.4 1,-0.2 5,-0.2 0.920 122.2 46.4 -53.4 -48.4 -19.5 -0.6 -5.9 125 31 B K H > S+ 0 0 104 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.940 115.9 45.6 -61.0 -48.5 -21.9 -0.7 -3.0 126 32 B E H >> S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 3,-0.8 0.953 113.2 47.3 -63.0 -49.9 -19.4 -2.3 -0.7 127 33 B L H 3X S+ 0 0 12 -4,-3.5 4,-2.7 1,-0.3 5,-0.4 0.904 105.1 61.2 -61.0 -35.7 -16.5 -0.0 -1.6 128 34 B K H 3X S+ 0 0 75 -4,-2.4 4,-1.2 -5,-0.4 -1,-0.3 0.905 110.5 41.7 -55.4 -37.1 -18.7 2.9 -1.2 129 35 B E H S+ 0 0 79 -2,-0.4 4,-3.0 3,-0.1 5,-0.2 0.736 75.7 37.4-113.4 -68.1 -13.5 10.7 4.9 137 43 B G H > S+ 0 0 38 1,-0.2 4,-2.2 3,-0.2 5,-0.1 0.829 112.0 59.8 -58.4 -37.7 -11.7 13.6 3.2 138 44 B F H > S+ 0 0 55 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.970 119.6 25.6 -60.2 -53.1 -10.4 11.5 0.3 139 45 B L H >> S+ 0 0 31 -8,-0.2 3,-0.9 1,-0.2 4,-0.7 0.889 122.0 56.1 -75.7 -40.2 -13.9 10.4 -1.0 140 46 B D H >< S+ 0 0 113 -4,-3.0 3,-0.8 1,-0.2 -3,-0.2 0.806 94.3 68.8 -60.4 -33.2 -15.6 13.5 0.5 141 47 B A H 3< S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.846 91.7 59.2 -58.2 -34.6 -13.3 15.8 -1.4 142 48 B Q H << S- 0 0 107 -3,-0.9 2,-1.5 -4,-0.5 -1,-0.3 0.869 81.3-171.1 -61.8 -34.3 -14.9 14.8 -4.7 143 49 B K << + 0 0 178 -3,-0.8 -1,-0.2 -4,-0.7 2,-0.1 0.030 46.1 114.9 67.6 -32.5 -18.2 16.0 -3.4 144 50 B D > - 0 0 99 -2,-1.5 3,-0.8 1,-0.1 4,-0.3 -0.427 66.2-142.4 -70.5 142.8 -19.9 14.4 -6.4 145 51 B V T > S+ 0 0 117 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.803 104.6 53.7 -72.8 -29.6 -22.3 11.5 -5.8 146 52 B D T 3> S+ 0 0 88 1,-0.2 4,-2.5 2,-0.1 -1,-0.2 0.401 81.0 98.3 -83.7 1.8 -21.0 9.8 -8.9 147 53 B A H <> S+ 0 0 4 -3,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.880 77.2 56.3 -58.1 -38.2 -17.5 10.2 -7.6 148 54 B V H <> S+ 0 0 11 -3,-0.7 4,-2.6 -4,-0.3 -1,-0.2 0.930 108.3 47.3 -59.7 -44.0 -17.6 6.6 -6.4 149 55 B D H > S+ 0 0 58 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.922 112.2 49.7 -62.8 -43.5 -18.4 5.4 -9.9 150 56 B K H X S+ 0 0 115 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.890 112.3 48.6 -62.1 -40.3 -15.7 7.5 -11.3 151 57 B V H X S+ 0 0 37 -4,-2.8 4,-1.4 -5,-0.2 3,-0.2 0.922 110.2 49.5 -66.7 -46.5 -13.2 6.2 -8.8 152 58 B M H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.838 101.6 62.1 -65.0 -34.4 -14.1 2.5 -9.3 153 59 B K H < S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.922 106.3 46.4 -59.0 -41.1 -13.8 2.6 -13.1 154 60 B E H < S+ 0 0 163 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.884 112.1 51.6 -65.4 -39.6 -10.1 3.6 -12.8 155 61 B L H < S+ 0 0 21 -4,-1.4 2,-3.3 1,-0.2 3,-0.4 0.834 87.3 84.0 -67.7 -35.4 -9.6 0.8 -10.3 156 62 B D < + 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 5,-0.1 -0.331 44.4 150.9 -72.2 72.3 -11.1 -1.9 -12.4 157 63 B E S S+ 0 0 182 -2,-3.3 -1,-0.2 1,-0.3 -2,-0.1 0.910 76.6 58.0 -62.8 -37.5 -7.9 -2.6 -14.3 158 64 B N S S- 0 0 96 -3,-0.4 -1,-0.3 4,-0.2 -2,-0.1 0.853 100.9-144.7 -57.9 -39.8 -9.4 -6.0 -14.5 159 65 B G + 0 0 58 3,-0.3 -2,-0.1 -6,-0.1 -1,-0.1 0.685 60.7 125.2 79.8 18.8 -12.5 -4.6 -16.2 160 66 B D S S- 0 0 49 2,-0.4 3,-0.1 1,-0.0 -3,-0.1 0.438 85.4-108.3 -89.5 2.4 -14.8 -7.0 -14.5 161 67 B G S S+ 0 0 45 1,-0.3 -37,-0.3 -5,-0.1 2,-0.3 0.399 93.5 91.2 87.2 -2.7 -17.0 -4.3 -13.1 162 68 B E S S- 0 0 69 -39,-0.1 2,-0.5 -9,-0.1 -2,-0.4 -0.855 76.9-121.7-121.2 160.4 -15.7 -5.0 -9.6 163 69 B V E -B 122 0B 0 -41,-3.0 -41,-2.9 -2,-0.3 2,-0.2 -0.863 30.9-149.5-102.9 130.4 -12.7 -3.7 -7.6 164 70 B D E > -B 121 0B 39 -2,-0.5 4,-3.2 -9,-0.2 5,-0.3 -0.613 27.5-107.1-100.4 160.9 -10.2 -6.4 -6.5 165 71 B F H > S+ 0 0 5 -45,-0.7 4,-2.9 1,-0.3 5,-0.2 0.903 123.6 50.5 -50.6 -44.1 -8.0 -6.6 -3.5 166 72 B Q H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.916 111.0 48.3 -62.0 -40.3 -5.0 -5.8 -5.7 167 73 B E H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.930 114.2 46.4 -64.4 -42.7 -6.9 -2.8 -7.2 168 74 B Y H X S+ 0 0 3 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.882 109.0 56.8 -63.3 -40.9 -7.8 -1.7 -3.7 169 75 B V H X S+ 0 0 3 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.937 108.5 44.4 -60.3 -47.9 -4.2 -2.3 -2.6 170 76 B V H X S+ 0 0 76 -4,-2.5 4,-3.4 1,-0.2 5,-0.5 0.902 109.7 59.0 -67.2 -34.9 -2.8 0.0 -5.2 171 77 B L H X S+ 0 0 18 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.958 111.3 38.6 -56.9 -51.3 -5.5 2.6 -4.3 172 78 B V H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.888 119.7 47.7 -68.4 -36.2 -4.5 2.9 -0.7 173 79 B A H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.960 114.6 43.5 -68.8 -49.2 -0.8 2.7 -1.6 174 80 B A H X S+ 0 0 49 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.918 115.5 50.5 -62.7 -39.6 -0.9 5.2 -4.4 175 81 B L H X S+ 0 0 41 -4,-2.4 4,-2.0 -5,-0.5 -1,-0.2 0.871 107.1 56.1 -65.1 -34.5 -3.1 7.4 -2.2 176 82 B T H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.963 111.1 40.9 -62.9 -49.9 -0.5 7.0 0.6 177 83 B V H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.917 116.5 50.3 -64.0 -39.3 2.4 8.3 -1.5 178 84 B A H X S+ 0 0 48 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.827 108.8 55.1 -65.4 -30.5 0.1 11.0 -2.9 179 85 B C H X S+ 0 0 18 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.970 107.9 44.8 -67.8 -54.4 -0.9 11.8 0.7 180 86 B N H X>S+ 0 0 17 -4,-2.6 4,-2.6 1,-0.2 5,-0.5 0.932 113.4 53.9 -56.0 -41.3 2.6 12.4 1.9 181 87 B N H X5S+ 0 0 48 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.912 106.7 51.0 -59.3 -40.8 3.1 14.4 -1.3 182 88 B F H <5S+ 0 0 113 -4,-2.3 -1,-0.2 5,-0.2 -2,-0.2 0.921 111.9 47.9 -63.6 -40.6 0.1 16.5 -0.4 183 89 B F H <5S+ 0 0 167 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.1 0.990 126.1 24.7 -64.8 -60.2 1.5 17.1 3.1 184 90 B W H <5S+ 0 0 133 -4,-2.6 2,-0.3 -5,-0.1 -3,-0.2 0.926 128.9 49.1 -68.8 -44.3 5.0 18.1 2.2 185 91 B E S <