==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-JUN-12 2LUX . COMPND 2 MOLECULE: PROTEIN S100-A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.RUSZCZYNSKA-BARTNIK,M.BUDZINSKA,K.ZDANOWSKI,A.EJCHART . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 79.0 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 . 4 2.2 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 55.9 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 0 0 0 2 0 2 0 0 0 0 0 0 0 2 0 2 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 G 0 0 102 0, 0.0 134,-0.1 0, 0.0 133,-0.1 0.000 360.0 360.0 360.0 149.0 156.4 -7.2 -8.8 2 2 A S > - 0 0 13 132,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.229 360.0-108.0 -69.7 163.1 156.1 -7.6 -5.0 3 3 A E H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 122.6 57.4 -60.0 -35.7 153.3 -9.5 -3.5 4 4 A L H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 107.1 47.6 -61.3 -41.2 151.9 -6.2 -2.3 5 5 A E H > S+ 0 0 33 129,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 110.1 52.7 -65.9 -39.3 151.8 -5.0 -5.9 6 6 A T H X S+ 0 0 85 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.921 112.0 45.1 -61.6 -42.9 150.2 -8.3 -7.0 7 7 A A H X S+ 0 0 7 -4,-2.7 4,-0.7 1,-0.2 3,-0.4 0.854 107.9 59.5 -67.1 -36.4 147.5 -7.8 -4.4 8 8 A M H >X S+ 0 0 11 -4,-2.2 3,-1.5 1,-0.2 4,-0.9 0.910 97.8 57.7 -59.8 -43.4 147.1 -4.2 -5.4 9 9 A E H 3X S+ 0 0 109 -4,-2.0 4,-2.1 1,-0.3 3,-0.3 0.837 95.4 67.1 -57.7 -32.4 146.2 -5.1 -9.0 10 10 A T H 3X S+ 0 0 32 -4,-0.8 4,-2.2 -3,-0.4 -1,-0.3 0.850 93.4 58.4 -57.4 -36.4 143.3 -7.1 -7.5 11 11 A L H - 0 0 44 -2,-0.5 4,-2.5 -7,-0.2 5,-0.2 -0.465 24.7-113.1 -83.8 159.7 127.7 4.8 -7.6 30 30 A K H > S+ 0 0 65 37,-0.4 4,-3.2 1,-0.2 5,-0.2 0.895 118.8 57.3 -58.4 -39.2 127.3 4.5 -3.8 31 31 A K H > S+ 0 0 159 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 108.7 45.6 -58.0 -42.4 124.5 2.0 -4.4 32 32 A E H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 113.2 51.1 -66.5 -38.8 127.0 -0.1 -6.4 33 33 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.911 108.0 51.1 -64.8 -43.9 129.6 0.4 -3.7 34 34 A K H X S+ 0 0 87 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.933 113.6 44.3 -60.3 -46.0 127.3 -0.7 -0.9 35 35 A E H X S+ 0 0 86 -4,-2.0 4,-2.2 -5,-0.2 5,-0.4 0.887 112.5 53.7 -65.1 -39.9 126.4 -3.9 -2.7 36 36 A L H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.953 115.9 36.2 -61.3 -51.9 130.0 -4.5 -3.6 37 37 A L H X S+ 0 0 18 -4,-2.7 4,-2.2 3,-0.2 7,-0.3 0.869 115.0 55.5 -70.9 -37.6 131.4 -4.3 -0.1 38 38 A Q H < S+ 0 0 54 -4,-2.5 6,-0.2 -5,-0.3 -2,-0.2 0.946 119.5 31.5 -61.7 -46.2 128.4 -5.9 1.6 39 39 A T H < S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.919 129.2 36.2 -75.8 -48.5 128.6 -9.0 -0.6 40 40 A E H < S+ 0 0 62 -4,-2.6 56,-0.9 -5,-0.4 2,-0.3 0.801 110.7 65.6 -76.7 -33.2 132.4 -9.1 -1.1 41 41 A L S >< S- 0 0 34 -4,-2.2 3,-2.2 -5,-0.4 4,-0.1 -0.735 87.5-121.0 -97.0 143.3 133.5 -7.9 2.3 42 42 A S G > S+ 0 0 87 -2,-0.3 3,-2.7 1,-0.3 4,-0.4 0.775 99.8 94.4 -49.2 -24.8 132.8 -9.9 5.5 43 43 A G G > + 0 0 20 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.639 55.4 95.7 -44.4 -11.6 131.0 -6.7 6.5 44 44 A F G X S+ 0 0 123 -3,-2.2 3,-2.3 1,-0.3 -1,-0.3 0.901 78.3 55.9 -49.3 -40.8 128.1 -8.8 5.1 45 45 A L G X S+ 0 0 132 -3,-2.7 3,-0.9 1,-0.3 -1,-0.3 0.864 103.0 54.7 -57.9 -35.8 127.4 -9.7 8.7 46 46 A D G < >S+ 0 0 85 -3,-1.3 5,-0.7 -4,-0.4 -1,-0.3 0.299 75.4 108.3 -80.4 9.4 127.2 -6.0 9.4 47 47 A A G < 5 + 0 0 24 -3,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.762 60.5 89.4 -58.1 -24.9 124.6 -5.9 6.7 48 48 A Q T X 5S- 0 0 138 -3,-0.9 3,-2.0 -4,-0.2 4,-0.3 0.415 116.3 -54.1 -53.2-157.4 122.1 -5.3 9.6 49 49 A K G > 5S+ 0 0 153 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.803 134.2 72.7 -57.0 -27.6 121.2 -1.8 10.8 50 50 A D G > 5S+ 0 0 71 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.849 81.7 71.3 -54.8 -34.6 125.0 -1.3 11.2 51 51 A V G X S+ 0 0 94 -3,-2.1 3,-1.9 -4,-0.3 4,-0.9 0.855 83.4 66.9 -54.3 -35.4 123.5 2.2 7.8 53 53 A A H <> S+ 0 0 45 -3,-2.1 4,-2.4 -4,-0.4 -1,-0.3 0.802 82.8 75.8 -56.6 -27.8 126.8 3.6 9.0 54 54 A V H <> S+ 0 0 32 -3,-2.0 4,-1.5 -4,-0.4 -1,-0.3 0.890 93.3 51.3 -52.6 -37.7 128.1 2.9 5.6 55 55 A D H <> S+ 0 0 85 -3,-1.9 4,-1.0 -4,-0.5 -1,-0.3 0.913 108.5 52.1 -64.2 -41.4 126.2 6.0 4.5 56 56 A K H X S+ 0 0 157 -4,-0.9 4,-0.8 1,-0.2 3,-0.3 0.856 107.7 49.7 -63.0 -40.3 127.9 8.0 7.3 57 57 A V H X S+ 0 0 62 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.839 100.7 64.6 -71.6 -31.7 131.5 7.0 6.4 58 58 A M H X S+ 0 0 6 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.863 96.0 58.7 -58.3 -37.3 131.0 7.9 2.7 59 59 A K H < S+ 0 0 162 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.916 107.7 44.5 -60.3 -44.4 130.5 11.6 3.7 60 60 A E H < S+ 0 0 169 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.900 114.7 48.6 -67.6 -40.5 133.9 11.8 5.3 61 61 A L H < S+ 0 0 51 -4,-2.0 2,-1.0 1,-0.1 -2,-0.2 0.859 100.5 72.7 -67.5 -36.6 135.7 10.0 2.5 62 62 A D < + 0 0 6 -4,-2.5 -1,-0.1 -5,-0.2 3,-0.1 -0.707 55.3 179.5 -85.9 105.4 134.1 12.1 -0.2 63 63 A E S S+ 0 0 184 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.881 84.5 58.5 -67.2 -37.4 135.6 15.6 -0.0 64 64 A N S S- 0 0 102 4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.836 95.6-143.3 -58.8 -37.5 133.4 16.6 -2.9 65 65 A G + 0 0 59 -7,-0.2 -1,-0.1 3,-0.2 -2,-0.1 0.558 63.2 128.8 79.6 6.9 130.3 15.7 -0.8 66 66 A D S S- 0 0 71 2,-0.2 3,-0.1 1,-0.1 -7,-0.1 0.796 72.2-128.2 -63.1 -33.8 129.0 14.5 -4.2 67 67 A G S S+ 0 0 23 1,-0.5 -37,-0.4 -9,-0.2 2,-0.3 0.336 79.7 100.2 95.5 -4.0 128.0 11.1 -2.8 68 68 A E - 0 0 89 -39,-0.1 -1,-0.5 -38,-0.1 2,-0.4 -0.788 63.0-141.4-111.2 154.1 129.9 9.5 -5.6 69 69 A V B -A 28 0A 1 -41,-1.2 -41,-0.9 -2,-0.3 2,-0.2 -0.920 4.9-153.0-124.4 149.7 133.4 8.0 -5.4 70 70 A D > - 0 0 75 -2,-0.4 4,-3.0 -43,-0.1 3,-0.3 -0.619 42.7 -95.9-106.9 166.5 136.4 7.9 -7.6 71 71 A F H > S+ 0 0 29 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.907 127.6 54.5 -51.3 -41.5 139.1 5.2 -7.7 72 72 A Q H > S+ 0 0 130 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.913 111.0 43.5 -59.6 -42.7 141.1 7.5 -5.4 73 73 A E H > S+ 0 0 16 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.893 113.2 53.9 -68.7 -38.1 138.3 7.7 -2.9 74 74 A Y H X S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.895 102.9 54.5 -62.2 -44.9 137.7 3.9 -3.2 75 75 A V H X S+ 0 0 3 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.903 114.6 40.7 -60.5 -39.3 141.2 2.9 -2.5 76 76 A V H X S+ 0 0 46 -4,-1.2 4,-2.0 -5,-0.2 -1,-0.2 0.851 110.5 59.5 -75.7 -33.5 141.2 4.8 0.8 77 77 A L H X S+ 0 0 8 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.914 110.4 40.9 -60.9 -42.5 137.6 3.7 1.5 78 78 A V H X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.835 108.9 61.7 -73.5 -32.3 138.7 0.0 1.4 79 79 A A H X S+ 0 0 3 -4,-1.4 4,-1.1 -5,-0.3 -2,-0.2 0.883 101.5 51.7 -61.7 -38.3 141.9 0.8 3.3 80 80 A A H >X S+ 0 0 54 -4,-2.0 4,-0.7 1,-0.2 3,-0.6 0.923 110.6 48.2 -64.7 -42.2 139.9 2.1 6.3 81 81 A L H >X S+ 0 0 62 -4,-1.2 4,-1.2 1,-0.2 3,-1.2 0.867 100.5 67.2 -64.4 -36.0 137.9 -1.2 6.3 82 82 A T H 3X S+ 0 0 6 -4,-2.3 4,-1.4 1,-0.3 3,-0.3 0.863 93.5 59.1 -52.8 -38.4 141.2 -3.1 6.1 83 83 A V H X S+ 0 0 124 -4,-2.4 3,-1.5 1,-0.2 4,-0.8 0.890 100.3 62.8 -60.6 -41.0 139.1 -9.1 13.8 89 89 A F H >< S+ 0 0 108 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.871 92.9 64.2 -53.0 -39.1 142.5 -10.9 13.7 90 90 A W H 3< S+ 0 0 214 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.849 94.4 60.3 -54.3 -35.6 142.9 -10.0 17.4 91 91 A E H << S+ 0 0 138 -3,-1.5 2,-0.5 -4,-0.7 -1,-0.3 0.847 102.9 59.9 -62.0 -33.1 139.9 -12.3 18.0 92 92 A N << 0 0 107 -3,-1.2 -1,-0.1 -4,-0.8 0, 0.0 -0.860 360.0 360.0-102.0 128.4 141.9 -15.2 16.5 93 93 A S 0 0 139 -2,-0.5 -1,-0.2 0, 0.0 -2,-0.1 0.660 360.0 360.0 89.0 360.0 145.2 -16.2 18.1 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 0 102 0, 0.0 -54,-0.1 0, 0.0 -55,-0.1 0.000 360.0 360.0 360.0 149.0 136.6 -14.5 1.2 96 2 B S > - 0 0 12 -56,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.230 360.0-108.0 -69.7 163.1 136.5 -12.2 -1.8 97 3 B E H > S+ 0 0 123 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 122.6 57.3 -59.9 -35.7 139.6 -11.7 -3.9 98 4 B L H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 107.1 47.6 -61.4 -41.1 139.9 -8.2 -2.4 99 5 B E H > S+ 0 0 33 -59,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.901 110.1 52.7 -65.9 -39.3 140.0 -9.8 1.0 100 6 B T H X S+ 0 0 83 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.921 112.0 45.1 -61.6 -42.9 142.6 -12.3 -0.2 101 7 B A H X S+ 0 0 7 -4,-2.7 4,-0.7 1,-0.2 3,-0.4 0.853 107.9 59.5 -67.1 -36.4 144.7 -9.4 -1.5 102 8 B M H >X S+ 0 0 12 -4,-2.2 3,-1.5 1,-0.2 4,-0.9 0.910 97.8 57.7 -59.8 -43.4 144.2 -7.5 1.7 103 9 B E H 3X S+ 0 0 108 -4,-2.0 4,-2.1 1,-0.3 3,-0.3 0.836 95.4 67.1 -57.7 -32.4 145.7 -10.2 3.9 104 10 B T H 3X S+ 0 0 32 -4,-0.8 4,-2.2 -3,-0.4 -1,-0.3 0.850 93.4 58.4 -57.3 -36.3 148.8 -9.8 1.8 105 11 B L H - 0 0 44 -2,-0.5 4,-2.5 -7,-0.2 5,-0.2 -0.468 24.7-113.2 -83.7 159.7 160.2 3.1 11.5 124 30 B K H > S+ 0 0 65 37,-0.4 4,-3.2 1,-0.2 5,-0.2 0.895 118.8 57.3 -58.4 -39.1 160.2 5.4 8.5 125 31 B K H > S+ 0 0 159 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 108.7 45.6 -58.1 -42.4 163.6 4.1 7.6 126 32 B E H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 113.2 51.1 -66.5 -38.8 162.1 0.6 7.4 127 33 B L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.910 108.0 51.1 -64.8 -43.8 159.2 2.0 5.4 128 34 B K H X S+ 0 0 86 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.933 113.6 44.3 -60.3 -46.0 161.4 3.7 2.9 129 35 B E H X S+ 0 0 87 -4,-2.0 4,-2.2 -5,-0.2 5,-0.4 0.888 112.5 53.7 -65.2 -39.8 163.4 0.6 2.3 130 36 B L H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.953 115.9 36.2 -61.3 -51.9 160.2 -1.5 2.1 131 37 B L H X S+ 0 0 18 -4,-2.7 4,-2.2 3,-0.2 7,-0.3 0.868 115.0 55.5 -71.0 -37.7 158.5 0.6 -0.5 132 38 B Q H < S+ 0 0 59 -4,-2.5 6,-0.2 -5,-0.3 -2,-0.2 0.946 119.5 31.5 -61.7 -46.3 161.6 1.4 -2.5 133 39 B T H < S+ 0 0 87 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.919 129.2 36.2 -75.7 -48.5 162.5 -2.2 -2.9 134 40 B E H < S+ 0 0 63 -4,-2.6 -132,-0.9 -5,-0.4 2,-0.3 0.801 110.7 65.5 -76.6 -33.1 159.1 -3.8 -3.1 135 41 B L S >< S- 0 0 34 -4,-2.2 3,-2.2 -5,-0.4 0, 0.0 -0.735 87.5-120.9 -97.1 143.4 157.3 -1.0 -4.9 136 42 B S G > S+ 0 0 84 -2,-0.3 3,-2.7 1,-0.3 4,-0.4 0.776 99.8 94.5 -49.1 -24.8 158.1 -0.0 -8.5 137 43 B G G > + 0 0 18 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.639 55.5 95.7 -44.4 -11.6 158.9 3.4 -7.0 138 44 B F G X S+ 0 0 124 -3,-2.2 3,-2.3 1,-0.3 -1,-0.3 0.902 78.3 55.9 -49.3 -40.9 162.4 1.9 -6.9 139 45 B L G X S+ 0 0 131 -3,-2.7 3,-0.9 1,-0.3 -1,-0.3 0.864 103.0 54.8 -57.9 -35.8 162.8 3.8 -10.2 140 46 B D G < >S+ 0 0 82 -3,-1.3 5,-0.7 -4,-0.4 -1,-0.3 0.299 75.4 108.2 -80.2 9.3 161.9 6.9 -8.2 141 47 B A G < 5 + 0 0 26 -3,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.762 60.5 89.4 -58.1 -24.9 164.7 6.0 -5.8 142 48 B Q T X 5S- 0 0 138 -3,-0.9 3,-2.0 -4,-0.2 4,-0.3 0.414 116.3 -54.1 -53.2-157.5 166.5 9.0 -7.3 143 49 B K G > 5S+ 0 0 155 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.803 134.3 72.7 -57.0 -27.6 166.1 12.5 -5.8 144 50 B D G > 5S+ 0 0 73 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.849 81.7 71.3 -54.8 -34.6 162.4 12.0 -6.3 145 51 B V G X S+ 0 0 97 -3,-2.1 3,-1.9 -4,-0.3 4,-0.9 0.854 83.4 66.9 -54.3 -35.4 163.2 12.6 -1.1 147 53 B A H <> S+ 0 0 44 -3,-2.1 4,-2.4 -4,-0.4 -1,-0.3 0.803 82.9 75.8 -56.7 -27.8 159.5 13.4 -1.6 148 54 B V H <> S+ 0 0 32 -3,-2.0 4,-1.5 -4,-0.4 -1,-0.3 0.890 93.4 51.3 -52.6 -37.7 158.9 10.2 0.4 149 55 B D H <> S+ 0 0 85 -3,-1.9 4,-1.0 -4,-0.5 -1,-0.3 0.913 108.5 52.1 -64.2 -41.4 159.9 12.3 3.4 150 56 B K H X S+ 0 0 157 -4,-0.9 4,-0.8 1,-0.2 3,-0.3 0.857 107.7 49.7 -63.0 -40.3 157.4 15.0 2.4 151 57 B V H X S+ 0 0 62 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.840 100.7 64.6 -71.6 -31.7 154.4 12.6 2.1 152 58 B M H X S+ 0 0 5 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.863 96.0 58.7 -58.4 -37.3 155.0 11.0 5.5 153 59 B K H < S+ 0 0 162 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.916 107.7 44.5 -60.4 -44.3 154.2 14.3 7.2 154 60 B E H < S+ 0 0 166 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.900 114.7 48.6 -67.7 -40.6 150.8 14.6 5.7 155 61 B L H < S+ 0 0 52 -4,-2.0 2,-1.0 1,-0.1 -2,-0.2 0.859 100.5 72.7 -67.4 -36.6 149.9 10.9 6.4 156 62 B D < + 0 0 6 -4,-2.5 -1,-0.1 -5,-0.2 3,-0.1 -0.707 55.2 179.5 -86.0 105.5 151.1 11.1 10.0 157 63 B E S S+ 0 0 179 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.881 84.5 58.5 -67.2 -37.3 148.6 13.1 12.0 158 64 B N S S- 0 0 102 4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.836 95.6-143.3 -58.8 -37.5 150.8 12.6 15.1 159 65 B G + 0 0 58 -7,-0.2 -1,-0.1 3,-0.2 -2,-0.1 0.559 63.2 128.8 79.5 7.0 153.7 14.3 13.3 160 66 B D S S- 0 0 73 2,-0.2 3,-0.1 1,-0.1 -7,-0.1 0.796 72.2-128.1 -63.1 -33.9 155.7 11.6 15.2 161 67 B G S S+ 0 0 24 1,-0.5 -37,-0.4 -9,-0.2 2,-0.3 0.338 79.7 100.2 95.6 -4.0 157.5 10.5 12.0 162 68 B E - 0 0 91 -39,-0.1 -1,-0.5 -38,-0.1 2,-0.4 -0.788 63.0-141.4-111.2 154.2 156.5 6.9 12.8 163 69 B V B -B 122 0B 1 -41,-1.2 -41,-0.9 -2,-0.3 2,-0.2 -0.921 4.9-153.0-124.5 149.8 153.6 5.0 11.3 164 70 B D > - 0 0 76 -2,-0.4 4,-3.0 -43,-0.1 3,-0.3 -0.617 42.7 -95.9-107.0 166.6 151.0 2.6 12.5 165 71 B F H > S+ 0 0 27 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.907 127.7 54.5 -51.2 -41.6 149.2 -0.1 10.6 166 72 B Q H > S+ 0 0 130 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.913 111.0 43.5 -59.7 -42.7 146.4 2.4 10.1 167 73 B E H > S+ 0 0 15 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.893 113.2 53.9 -68.7 -38.1 148.8 5.0 8.7 168 74 B Y H X S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.896 102.9 54.5 -62.2 -44.8 150.5 2.4 6.5 169 75 B V H X S+ 0 0 2 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.902 114.6 40.7 -60.5 -39.4 147.3 1.1 4.9 170 76 B V H X S+ 0 0 47 -4,-1.2 4,-2.0 -5,-0.2 -1,-0.2 0.851 110.5 59.5 -75.6 -33.5 146.4 4.6 3.7 171 77 B L H X S+ 0 0 6 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.914 110.4 40.8 -60.9 -42.4 150.0 5.3 2.8 172 78 B V H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.835 109.0 61.7 -73.6 -32.3 150.1 2.4 0.4 173 79 B A H X S+ 0 0 3 -4,-1.4 4,-1.1 -5,-0.3 -2,-0.2 0.882 101.5 51.6 -61.7 -38.4 146.6 3.3 -0.9 174 80 B A H >X S+ 0 0 57 -4,-2.0 4,-0.7 1,-0.2 3,-0.6 0.923 110.6 48.2 -64.7 -42.0 147.8 6.7 -2.1 175 81 B L H >X S+ 0 0 63 -4,-1.2 4,-1.2 1,-0.2 3,-1.2 0.867 100.5 67.2 -64.4 -36.0 150.6 5.0 -4.0 176 82 B T H 3X S+ 0 0 4 -4,-2.3 4,-1.4 1,-0.3 3,-0.3 0.863 93.5 59.1 -52.9 -38.3 148.2 2.6 -5.5 177 83 B V H X S+ 0 0 124 -4,-2.4 3,-1.5 1,-0.2 4,-0.8 0.891 100.3 62.8 -60.7 -41.0 151.0 4.1 -14.9 183 89 B F H >< S+ 0 0 111 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.871 92.9 64.2 -53.0 -39.0 148.3 1.8 -16.4 184 90 B W H 3< S+ 0 0 215 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.850 94.4 60.3 -54.4 -35.6 147.3 4.7 -18.6 185 91 B E H << S+ 0 0 138 -3,-1.5 2,-0.5 -4,-0.7 -1,-0.3 0.848 102.9 59.9 -62.0 -32.9 150.7 4.5 -20.3 186 92 B N << 0 0 109 -3,-1.2 -1,-0.1 -4,-0.8 0, 0.0 -0.859 360.0 360.0-102.2 128.4 149.8 0.9 -21.3 187 93 B S 0 0 138 -2,-0.5 -1,-0.2 0, 0.0 -2,-0.1 0.660 360.0 360.0 88.9 360.0 146.8 0.3 -23.5