==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-NOV-11 2LLU . COMPND 2 MOLECULE: PROTEIN S100-A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LENARCIC ZIVKOVIC,M.ZAREBA-KOZIOL,L.ZHUKOVA,J.POZNANSKI,I. . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 80.6 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 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 1 0.5 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 52.2 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 1 0 0 0 0 0 0 2 0 0 2 1 3 0 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 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 G 0 0 104 0, 0.0 2,-0.3 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0-173.3 2.6 -22.0 -37.4 2 2 A S >> - 0 0 3 1,-0.1 3,-1.5 133,-0.1 4,-1.0 -0.785 360.0-127.5-100.9 149.5 5.7 -20.4 -35.9 3 3 A E H 3> S+ 0 0 120 -2,-0.3 4,-0.9 1,-0.3 101,-0.2 0.797 108.2 71.1 -62.8 -24.3 9.1 -22.1 -35.6 4 4 A L H 3> S+ 0 0 1 100,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.792 97.4 48.7 -62.4 -28.9 8.9 -21.0 -32.0 5 5 A E H <> S+ 0 0 44 -3,-1.5 4,-0.7 1,-0.2 3,-0.4 0.829 102.4 59.5 -82.1 -30.2 6.2 -23.6 -31.4 6 6 A T H X S+ 0 0 61 -4,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.736 92.3 76.8 -65.7 -22.0 8.0 -26.5 -33.1 7 7 A A H >X S+ 0 0 2 -4,-0.9 4,-1.1 1,-0.2 3,-1.1 0.943 90.3 47.6 -55.1 -56.2 10.7 -25.8 -30.5 8 8 A M H 3X S+ 0 0 5 -4,-0.5 4,-2.3 -3,-0.4 -1,-0.2 0.809 102.4 66.3 -60.7 -26.8 8.9 -27.5 -27.5 9 9 A E H 3X S+ 0 0 103 -4,-0.7 4,-2.0 1,-0.2 -1,-0.3 0.856 99.0 51.7 -63.3 -34.1 8.1 -30.6 -29.7 10 10 A T H S+ 0 0 28 -4,-2.3 4,-2.5 1,-0.2 5,-0.5 0.908 101.6 61.0 -62.5 -40.1 9.3 -33.5 -26.0 13 13 A N H X5S+ 0 0 72 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.925 117.4 28.1 -54.6 -47.5 10.9 -35.9 -28.4 14 14 A V H X5S+ 0 0 2 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.824 123.2 52.2 -83.9 -31.6 13.9 -36.5 -26.0 15 15 A F H >X5S+ 0 0 3 -4,-2.8 4,-1.1 -5,-0.2 3,-1.0 0.985 114.0 39.3 -66.9 -59.5 12.0 -35.9 -22.8 16 16 A H H 3<5S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.2 0.692 105.9 68.6 -68.3 -18.4 9.1 -38.2 -23.3 17 17 A A H 3< + 0 0 39 7,-1.5 3,-1.1 4,-0.8 -1,-0.2 0.232 69.4 108.5 106.5 -8.3 8.0 -42.5 -16.9 21 21 A K T < S+ 0 0 129 -3,-0.7 7,-0.2 1,-0.3 -2,-0.1 0.833 81.8 52.7 -63.0 -30.9 11.0 -43.3 -14.8 22 22 A E T 3 S- 0 0 57 5,-0.8 2,-0.4 2,-0.4 -1,-0.3 -0.216 127.5 -90.7-106.7 41.6 9.4 -41.1 -12.2 23 23 A G S < S+ 0 0 77 -3,-1.1 2,-0.3 2,-0.1 -2,-0.1 0.014 102.4 59.1 87.6 -30.8 6.0 -42.5 -12.0 24 24 A D S > S- 0 0 59 -2,-0.4 3,-1.2 3,-0.2 -4,-0.8 -0.909 78.8-120.2-134.3 158.8 4.3 -40.4 -14.6 25 25 A K T 3 S+ 0 0 85 -2,-0.3 -6,-0.1 1,-0.3 -4,-0.1 0.677 114.9 44.2 -71.3 -20.4 4.6 -39.7 -18.4 26 26 A Y T 3 S+ 0 0 11 155,-0.1 45,-0.8 -7,-0.1 2,-0.4 0.231 107.5 77.0-104.0 8.6 5.1 -36.0 -17.8 27 27 A K E < +A 70 0A 54 -3,-1.2 -7,-1.5 43,-0.2 -5,-0.8 -0.928 47.7 161.3-128.2 147.3 7.5 -36.5 -15.0 28 28 A L E -A 69 0A 0 41,-2.3 41,-3.0 -2,-0.4 2,-0.2 -0.968 39.2-103.0-155.1 157.2 11.1 -37.4 -14.7 29 29 A S E >> -A 68 0A 1 -2,-0.3 4,-1.2 39,-0.2 3,-0.8 -0.557 34.2-113.3 -85.2 157.1 13.8 -37.1 -12.0 30 30 A K H 3> S+ 0 0 25 37,-1.8 4,-1.8 34,-0.4 3,-0.4 0.897 114.1 61.0 -56.0 -41.7 16.5 -34.5 -12.3 31 31 A K H 3> S+ 0 0 93 34,-2.4 4,-1.5 36,-0.4 -1,-0.2 0.842 100.2 53.7 -54.8 -38.6 19.2 -37.2 -12.8 32 32 A E H <> S+ 0 0 16 -3,-0.8 4,-3.0 33,-0.3 5,-0.3 0.901 107.0 51.1 -66.5 -40.3 17.5 -38.5 -16.0 33 33 A L H X S+ 0 0 3 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.901 108.7 50.8 -66.8 -38.2 17.5 -35.1 -17.6 34 34 A K H X S+ 0 0 49 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.847 114.2 46.3 -65.0 -33.7 21.2 -34.6 -16.9 35 35 A E H X S+ 0 0 115 -4,-1.5 4,-1.4 -5,-0.2 -2,-0.2 0.939 114.3 43.6 -77.1 -48.0 21.9 -37.9 -18.5 36 36 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.4 0.898 110.1 58.4 -67.1 -35.0 19.8 -37.6 -21.6 37 37 A L H X>S+ 0 0 31 -4,-2.2 4,-1.9 -5,-0.3 5,-0.7 0.922 110.0 41.2 -61.2 -44.8 21.0 -34.1 -22.2 38 38 A Q H <5S+ 0 0 117 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.762 118.3 48.0 -77.0 -22.5 24.7 -35.0 -22.4 39 39 A T H <5S+ 0 0 101 -4,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.777 118.7 36.3 -87.2 -29.9 23.9 -38.1 -24.4 40 40 A E H <5S+ 0 0 72 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.820 129.7 28.1 -91.5 -36.7 21.6 -36.6 -27.0 41 41 A L T <5 + 0 0 10 -4,-1.9 55,-0.2 -5,-0.4 -3,-0.2 0.937 61.0 166.6 -90.4 -62.4 23.3 -33.2 -27.4 42 42 A S < + 0 0 84 -5,-0.7 -4,-0.1 1,-0.2 -3,-0.0 0.750 67.5 69.4 45.4 34.8 27.1 -33.5 -26.6 43 43 A G S >> S+ 0 0 35 3,-0.0 3,-1.7 0, 0.0 4,-0.7 0.535 83.2 54.4-138.8 -50.8 27.7 -30.0 -28.2 44 44 A F H 3> S+ 0 0 26 1,-0.3 4,-0.8 2,-0.2 -6,-0.1 0.639 89.8 79.8 -72.4 -13.0 26.2 -27.1 -26.2 45 45 A L H 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.801 98.9 43.2 -62.6 -26.0 28.1 -28.3 -23.2 46 46 A D H <4 S+ 0 0 117 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.735 104.6 64.8 -88.3 -25.4 31.1 -26.6 -24.8 47 47 A A H < S+ 0 0 20 -4,-0.7 2,-0.4 2,-0.0 -2,-0.2 0.644 76.6 104.4 -74.3 -13.6 29.0 -23.6 -25.7 48 48 A Q < + 0 0 48 -4,-0.8 37,-0.2 1,-0.2 34,-0.1 -0.569 38.6 167.7 -71.3 121.8 28.5 -22.8 -22.0 49 49 A K + 0 0 92 35,-1.7 2,-1.3 -2,-0.4 36,-0.2 0.631 49.5 92.2-109.9 -20.4 30.7 -19.8 -21.1 50 50 A D > + 0 0 32 34,-0.5 4,-2.3 1,-0.2 5,-0.2 -0.622 47.1 178.0 -81.5 94.7 29.3 -18.9 -17.7 51 51 A V H > S+ 0 0 112 -2,-1.3 4,-2.3 1,-0.2 5,-0.2 0.854 79.8 57.4 -62.0 -36.3 31.4 -20.8 -15.2 52 52 A D H > S+ 0 0 103 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.872 110.9 43.0 -68.1 -33.1 29.5 -19.4 -12.3 53 53 A A H > S+ 0 0 27 -3,-0.2 4,-2.2 2,-0.2 5,-0.3 0.957 114.9 46.4 -74.6 -53.3 26.2 -20.7 -13.6 54 54 A V H X S+ 0 0 32 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.873 109.5 55.4 -62.8 -35.4 27.4 -24.2 -14.7 55 55 A D H X S+ 0 0 84 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.934 113.0 41.2 -61.8 -44.8 29.2 -24.7 -11.4 56 56 A K H X S+ 0 0 86 -4,-1.1 4,-1.0 -5,-0.2 -1,-0.2 0.836 118.6 44.9 -72.7 -35.8 26.1 -24.1 -9.3 57 57 A V H X S+ 0 0 42 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.879 109.5 52.7 -80.6 -39.9 23.7 -25.9 -11.6 58 58 A M H X S+ 0 0 74 -4,-2.6 4,-1.2 -5,-0.3 -2,-0.2 0.908 115.3 42.2 -66.8 -36.5 25.8 -29.1 -12.2 59 59 A K H X S+ 0 0 101 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.789 110.9 56.7 -77.5 -25.9 26.3 -29.5 -8.4 60 60 A E H X S+ 0 0 56 -4,-1.0 4,-2.4 1,-0.2 3,-0.3 0.973 110.5 45.0 -65.4 -48.5 22.6 -28.6 -7.8 61 61 A L H X S+ 0 0 5 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.794 107.8 58.9 -65.3 -29.4 21.7 -31.4 -10.1 62 62 A D H < S+ 0 0 124 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.907 116.3 32.4 -68.0 -38.8 24.2 -33.8 -8.5 63 63 A E H < S+ 0 0 167 -4,-1.7 3,-0.3 -3,-0.3 -2,-0.2 0.757 127.1 41.1 -87.0 -26.8 22.6 -33.5 -5.1 64 64 A N H >< S+ 0 0 83 -4,-2.4 3,-2.2 -5,-0.2 -34,-0.4 0.296 80.3 106.1-106.1 8.2 19.0 -33.0 -6.3 65 65 A G T 3< S+ 0 0 6 -4,-0.8 -34,-2.4 1,-0.3 -33,-0.3 0.795 76.2 58.5 -58.4 -29.7 19.2 -35.6 -9.1 66 66 A D T 3 S+ 0 0 128 -3,-0.3 -1,-0.3 -36,-0.2 2,-0.1 0.414 94.8 85.6 -84.0 2.8 17.0 -38.0 -7.0 67 67 A G S < S- 0 0 32 -3,-2.2 -37,-1.8 1,-0.1 -36,-0.4 -0.329 81.4-101.7 -94.8-176.7 14.3 -35.4 -6.8 68 68 A E E +A 29 0A 124 -39,-0.3 -39,-0.2 -2,-0.1 2,-0.2 -0.811 35.6 164.8-120.8 145.7 11.6 -34.9 -9.4 69 69 A V E -A 28 0A 10 -41,-3.0 -41,-2.3 -2,-0.3 2,-0.2 -0.830 18.8-138.0-145.7 178.6 10.8 -32.4 -12.2 70 70 A D E > -A 27 0A 33 -2,-0.2 4,-1.8 -43,-0.2 -43,-0.2 -0.681 42.8 -78.3-132.9-174.1 8.6 -32.1 -15.3 71 71 A F H > S+ 0 0 10 -45,-0.8 4,-2.4 2,-0.2 5,-0.2 0.877 126.4 55.0 -58.5 -40.9 8.7 -30.9 -18.9 72 72 A Q H > S+ 0 0 62 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 109.7 47.1 -63.7 -38.9 8.6 -27.2 -17.9 73 73 A E H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.831 108.3 56.1 -70.0 -29.7 11.6 -27.8 -15.7 74 74 A Y H X S+ 0 0 2 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.944 105.2 52.6 -67.4 -42.2 13.4 -29.6 -18.5 75 75 A V H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.889 110.2 46.4 -59.3 -40.6 12.9 -26.6 -20.8 76 76 A V H X S+ 0 0 30 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.856 107.3 58.8 -76.1 -26.5 14.5 -24.2 -18.3 77 77 A L H < S+ 0 0 31 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.818 108.2 45.3 -70.0 -27.8 17.4 -26.7 -17.7 78 78 A V H >X S+ 0 0 4 -4,-1.5 3,-1.1 1,-0.2 4,-1.0 0.848 107.7 57.5 -84.2 -29.5 18.2 -26.5 -21.4 79 79 A A H 3X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.3 5,-0.3 0.755 91.7 71.0 -70.7 -20.7 17.9 -22.7 -21.4 80 80 A A H 3X S+ 0 0 20 -4,-1.2 4,-1.5 1,-0.2 -1,-0.3 0.859 98.8 49.4 -59.0 -33.5 20.6 -22.7 -18.7 81 81 A L H <> S+ 0 0 9 -3,-1.1 4,-0.9 -4,-0.4 -1,-0.2 0.877 109.2 52.4 -73.1 -37.2 22.9 -23.6 -21.5 82 82 A T H >X>S+ 0 0 3 -4,-1.0 4,-3.0 2,-0.2 3,-0.6 0.922 109.1 46.5 -66.7 -45.9 21.6 -20.8 -23.7 83 83 A V H 3X>S+ 0 0 15 -4,-2.6 4,-1.1 1,-0.3 5,-0.7 0.901 108.7 56.4 -67.5 -33.9 22.1 -18.1 -21.1 84 84 A A H 3<5S+ 0 0 0 -4,-1.5 -35,-1.7 -5,-0.3 -34,-0.5 0.766 117.9 35.6 -67.5 -23.4 25.6 -19.3 -20.4 85 85 A C H <<5S+ 0 0 40 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.845 131.8 22.5 -92.5 -46.2 26.4 -19.0 -24.1 86 86 A N H ><5S+ 0 0 34 -4,-3.0 3,-0.8 -5,-0.1 -3,-0.2 0.779 119.0 53.1-100.9 -34.1 24.5 -15.9 -25.2 87 87 A N G >< < + 0 0 60 -5,-0.7 3,-0.9 1,-0.3 -1,-0.2 0.578 62.4 75.7 -41.1 -17.3 27.6 -14.1 -21.6 89 89 A F G < + 0 0 108 -3,-0.8 -1,-0.3 1,-0.2 4,-0.1 0.331 63.5 96.9 -86.3 10.9 28.0 -10.6 -23.0 90 90 A W G < S+ 0 0 130 -3,-1.8 -1,-0.2 2,-0.1 2,-0.2 0.640 94.6 30.9 -65.3 -16.9 26.8 -9.2 -19.7 91 91 A E S < S- 0 0 138 -3,-0.9 2,-0.2 -4,-0.1 0, 0.0 -0.779 116.6 -57.0-132.3 175.7 30.5 -8.8 -19.0 92 92 A N 0 0 153 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.420 360.0 360.0 -61.2 123.4 33.7 -8.1 -20.9 93 93 A S 0 0 78 -2,-0.2 -1,-0.1 -4,-0.1 -4,-0.1 0.207 360.0 360.0-100.2 360.0 33.8 -10.9 -23.4 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 0 113 0, 0.0 2,-0.2 0, 0.0 -54,-0.1 0.000 360.0 360.0 360.0 14.0 23.4 -32.2 -34.2 96 2 B S > - 0 0 14 -55,-0.2 4,-0.7 1,-0.1 3,-0.1 -0.512 360.0-134.1 -84.5 156.4 20.5 -32.9 -31.8 97 3 B E H > S+ 0 0 109 1,-0.2 4,-0.6 -2,-0.2 3,-0.3 0.857 102.9 62.5 -74.2 -34.3 16.9 -31.8 -32.5 98 4 B L H > S+ 0 0 0 -88,-0.2 4,-0.6 1,-0.2 3,-0.4 0.788 99.6 51.8 -65.8 -29.8 16.6 -30.6 -28.9 99 5 B E H > S+ 0 0 34 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.826 100.2 62.2 -78.0 -27.8 19.3 -27.9 -29.2 100 6 B T H X S+ 0 0 75 -4,-0.7 4,-1.1 -3,-0.3 -1,-0.2 0.721 90.1 76.0 -65.8 -22.3 17.7 -26.5 -32.4 101 7 B A H >X S+ 0 0 2 -4,-0.6 4,-1.2 -3,-0.4 3,-1.1 0.954 92.3 46.4 -54.8 -56.1 14.7 -25.7 -30.1 102 8 B M H 3X S+ 0 0 3 -4,-0.6 4,-2.4 -3,-0.4 -1,-0.2 0.800 103.1 66.4 -61.3 -26.0 16.2 -22.7 -28.4 103 9 B E H 3X S+ 0 0 107 -4,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.849 99.7 50.8 -63.5 -34.1 17.4 -21.3 -31.8 104 10 B T H X S+ 0 0 1 -4,-2.5 3,-1.3 -5,-0.2 4,-0.6 0.991 113.8 37.8 -68.3 -61.6 13.0 -13.2 -29.2 110 16 B H H 3< S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.664 104.8 72.6 -69.0 -14.7 16.0 -11.3 -30.5 111 17 B A H 34 S+ 0 0 66 -5,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.868 115.0 22.9 -65.5 -35.3 13.9 -10.2 -33.5 112 18 B H H X< S+ 0 0 70 -3,-1.3 3,-0.8 -4,-0.8 -2,-0.2 0.305 98.9 125.9-112.9 5.8 12.0 -7.8 -31.1 113 19 B S T 3< + 0 0 23 -4,-0.6 6,-0.2 1,-0.2 9,-0.2 -0.237 49.2 51.7 -66.7 155.4 14.7 -7.5 -28.4 114 20 B G T 3 + 0 0 33 7,-1.0 3,-0.5 4,-0.9 -1,-0.2 0.244 68.4 111.4 103.9 -9.0 16.1 -4.2 -27.1 115 21 B K S < S+ 0 0 136 -3,-0.8 7,-0.1 1,-0.2 -2,-0.1 0.714 81.4 52.0 -67.0 -19.4 12.7 -2.6 -26.4 116 22 B E S S- 0 0 58 2,-0.6 -1,-0.2 5,-0.3 3,-0.1 0.742 127.9 -99.0 -83.6 -27.3 13.7 -2.9 -22.7 117 23 B G S S+ 0 0 71 1,-0.5 2,-0.3 -3,-0.5 -2,-0.1 -0.121 105.3 66.1 126.8 -30.9 17.0 -1.2 -23.3 118 24 B D - 0 0 71 1,-0.1 -4,-0.9 0, 0.0 -2,-0.6 -0.862 69.3-147.0-117.6 151.0 19.1 -4.4 -23.4 119 25 B K S S+ 0 0 94 -2,-0.3 -6,-0.1 -6,-0.2 -4,-0.1 0.619 96.6 64.5 -93.1 -16.1 18.8 -7.0 -26.2 120 26 B Y S S+ 0 0 32 -7,-0.1 45,-0.7 -33,-0.1 2,-0.3 0.315 111.4 45.2 -83.3 7.0 19.6 -10.0 -23.9 121 27 B K E -B 164 0B 41 -3,-0.3 -7,-1.0 43,-0.2 -5,-0.3 -0.892 65.2-169.4-140.4 166.1 16.4 -9.0 -22.2 122 28 B L E -B 163 0B 0 41,-2.5 41,-2.1 -2,-0.3 2,-0.1 -0.957 31.1-104.0-159.8 150.4 12.9 -8.0 -23.0 123 29 B S E >> -B 162 0B 7 -2,-0.3 4,-1.2 39,-0.2 3,-0.6 -0.422 33.5-118.2 -72.3 150.6 9.9 -6.6 -21.1 124 30 B K H 3> S+ 0 0 20 37,-0.8 4,-1.5 34,-0.4 3,-0.4 0.899 112.3 57.5 -56.6 -42.2 7.1 -9.1 -20.3 125 31 B K H 3> S+ 0 0 91 34,-2.3 4,-1.4 36,-0.3 -1,-0.2 0.856 100.9 56.1 -58.6 -37.0 4.6 -7.1 -22.4 126 32 B E H <> S+ 0 0 20 -3,-0.6 4,-2.6 33,-0.3 5,-0.3 0.885 104.3 53.2 -65.3 -37.5 6.7 -7.4 -25.5 127 33 B L H X S+ 0 0 5 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.889 105.2 54.3 -66.1 -36.9 6.7 -11.2 -25.3 128 34 B K H X S+ 0 0 57 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.844 112.3 45.5 -64.7 -32.6 2.9 -11.2 -25.1 129 35 B E H X S+ 0 0 112 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.924 114.3 44.0 -79.0 -46.0 2.8 -9.2 -28.3 130 36 B L H X S+ 0 0 5 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.864 109.2 59.6 -69.9 -30.6 5.3 -11.1 -30.4 131 37 B L H X>S+ 0 0 35 -4,-2.1 4,-2.2 -5,-0.3 5,-0.8 0.904 109.4 41.4 -62.7 -42.0 3.9 -14.5 -29.3 132 38 B Q H <5S+ 0 0 125 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.763 112.2 56.1 -81.1 -22.4 0.4 -13.7 -30.7 133 39 B T H <5S+ 0 0 104 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.834 121.4 25.9 -75.0 -33.9 1.9 -12.2 -33.8 134 40 B E H <5S+ 0 0 74 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.855 129.6 31.6 -97.7 -45.2 3.9 -15.3 -34.7 135 41 B L T <5 + 0 0 5 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.978 57.3 162.7 -83.0 -63.5 2.2 -18.3 -33.2 136 42 B S < + 0 0 86 -5,-0.8 -4,-0.1 1,-0.2 -1,-0.1 0.754 66.6 72.1 42.9 35.0 -1.6 -17.6 -33.1 137 43 B G S > S+ 0 0 31 -135,-0.0 3,-1.8 3,-0.0 4,-0.3 0.563 81.2 55.1-136.4 -49.0 -2.1 -21.3 -32.6 138 44 B F G >> S+ 0 0 20 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.668 92.8 74.7 -72.4 -13.7 -1.2 -22.5 -29.1 139 45 B L G 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.748 101.8 42.7 -66.6 -22.0 -3.4 -20.0 -27.6 140 46 B D G <4 S+ 0 0 129 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.449 106.8 64.1 -99.8 -5.5 -6.3 -22.3 -28.7 141 47 B A T <4 S+ 0 0 21 -3,-0.5 2,-0.4 -4,-0.3 -2,-0.2 0.495 73.1 111.8 -96.2 -5.8 -4.3 -25.3 -27.6 142 48 B Q < + 0 0 52 -4,-0.5 37,-0.2 1,-0.2 3,-0.1 -0.563 32.1 166.5 -72.8 125.2 -4.3 -24.3 -23.9 143 49 B K + 0 0 98 35,-1.5 2,-1.5 -2,-0.4 36,-0.2 0.658 58.7 80.5-112.6 -24.9 -6.5 -26.8 -21.9 144 50 B D > + 0 0 37 34,-0.8 4,-2.0 1,-0.2 5,-0.2 -0.661 57.1 177.0 -82.6 90.1 -5.4 -25.8 -18.4 145 51 B V H > S+ 0 0 105 -2,-1.5 4,-2.3 1,-0.2 5,-0.2 0.841 75.8 56.3 -64.8 -33.7 -7.6 -22.7 -18.0 146 52 B D H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 107.9 48.2 -67.4 -39.0 -6.5 -22.1 -14.5 147 53 B A H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.972 115.9 41.7 -62.9 -56.1 -2.9 -21.9 -15.5 148 54 B V H X S+ 0 0 16 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.838 110.9 56.3 -67.5 -30.4 -3.4 -19.6 -18.4 149 55 B D H X S+ 0 0 79 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.942 111.6 43.2 -65.0 -43.3 -5.8 -17.4 -16.5 150 56 B K H X S+ 0 0 94 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.823 117.3 47.1 -73.4 -28.4 -3.3 -16.8 -13.7 151 57 B V H X S+ 0 0 51 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.885 109.4 52.1 -79.8 -40.3 -0.5 -16.3 -16.3 152 58 B M H X S+ 0 0 98 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.948 114.4 43.0 -63.2 -44.5 -2.4 -13.9 -18.5 153 59 B K H X S+ 0 0 92 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.825 111.2 56.3 -69.0 -30.1 -3.3 -11.7 -15.6 154 60 B E H X S+ 0 0 47 -4,-1.0 4,-2.5 1,-0.2 3,-0.5 0.969 108.9 46.4 -65.0 -48.1 0.3 -12.0 -14.3 155 61 B L H X S+ 0 0 12 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.812 108.4 56.9 -63.6 -31.4 1.6 -10.7 -17.6 156 62 B D H < S+ 0 0 115 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.865 115.5 35.7 -70.3 -33.2 -1.0 -7.9 -17.5 157 63 B E H < S+ 0 0 139 -4,-1.7 3,-0.3 -3,-0.5 -2,-0.2 0.788 127.0 38.1 -84.3 -33.4 0.3 -6.7 -14.1 158 64 B N H >< S+ 0 0 80 -4,-2.5 3,-2.1 -5,-0.2 -34,-0.4 0.296 81.1 107.0-104.9 6.3 3.9 -7.4 -14.7 159 65 B G T 3< S+ 0 0 5 -4,-0.9 -34,-2.3 1,-0.3 -33,-0.3 0.811 76.8 56.7 -57.8 -32.5 4.2 -6.5 -18.4 160 66 B D T 3 S+ 0 0 138 -3,-0.3 -1,-0.3 -36,-0.2 -2,-0.1 0.435 97.5 83.4 -82.1 1.3 6.1 -3.3 -17.6 161 67 B G S < S- 0 0 35 -3,-2.1 -37,-0.8 1,-0.1 2,-0.3 -0.068 82.0-100.8 -88.4-163.8 8.8 -5.4 -15.8 162 68 B E E +B 123 0B 129 -39,-0.3 2,-0.3 -38,-0.1 -39,-0.2 -0.919 34.9 164.5-129.9 146.9 11.7 -7.2 -17.3 163 69 B V E -B 122 0B 12 -41,-2.1 -41,-2.5 -2,-0.3 2,-0.2 -0.868 19.8-137.6-147.3 177.9 12.6 -10.8 -18.2 164 70 B D E > -B 121 0B 34 -43,-0.3 4,-2.3 -2,-0.3 -43,-0.2 -0.667 42.8 -78.8-130.7-174.2 15.2 -12.7 -20.3 165 71 B F H > S+ 0 0 1 -45,-0.7 4,-2.6 1,-0.2 5,-0.2 0.866 127.0 55.6 -57.0 -39.7 15.4 -15.6 -22.7 166 72 B Q H > S+ 0 0 64 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.930 110.8 43.3 -64.5 -42.1 15.2 -18.1 -19.9 167 73 B E H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 112.1 55.7 -69.4 -33.2 12.0 -16.6 -18.6 168 74 B Y H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.927 104.7 51.4 -65.1 -42.5 10.7 -16.4 -22.2 169 75 B V H X S+ 0 0 7 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.839 109.7 50.6 -65.8 -28.2 11.3 -20.1 -22.7 170 76 B V H X S+ 0 0 30 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.895 105.6 56.8 -74.4 -37.1 9.3 -20.9 -19.5 171 77 B L H < S+ 0 0 28 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.872 110.1 43.4 -64.0 -35.3 6.5 -18.6 -20.7 172 78 B V H >X S+ 0 0 6 -4,-1.8 3,-1.1 1,-0.2 4,-1.0 0.875 109.8 57.2 -77.4 -32.1 6.1 -20.7 -23.9 173 79 B A H 3X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.3 5,-0.2 0.765 93.7 68.0 -70.1 -20.7 6.5 -23.9 -21.9 174 80 B A H 3X S+ 0 0 16 -4,-1.6 4,-1.5 1,-0.2 -1,-0.3 0.840 99.4 51.1 -62.9 -31.3 3.5 -22.8 -19.8 175 81 B L H <> S+ 0 0 19 -3,-1.1 4,-1.3 -4,-0.5 -1,-0.2 0.862 107.3 53.4 -75.3 -33.8 1.5 -23.3 -23.0 176 82 B T H X>S+ 0 0 5 -4,-1.0 4,-3.2 2,-0.2 5,-0.8 0.919 108.9 46.7 -67.1 -44.5 2.9 -26.8 -23.4 177 83 B V H <>S+ 0 0 14 -4,-2.3 5,-0.7 1,-0.2 -1,-0.2 0.899 111.4 52.5 -68.0 -33.5 1.9 -28.0 -19.9 178 84 B A H <5S+ 0 0 0 -4,-1.5 -35,-1.5 -5,-0.2 -34,-0.8 0.785 119.4 36.0 -70.1 -27.5 -1.6 -26.5 -20.4 179 85 B C H <5S+ 0 0 45 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.859 135.0 14.4 -89.3 -47.2 -1.9 -28.5 -23.7 180 86 B N T ><5S+ 0 0 61 -4,-3.2 3,-1.4 -5,-0.2 -3,-0.2 0.859 120.9 55.4-103.3 -47.7 -0.1 -31.8 -23.1 181 87 B N G > < + 0 0 76 -5,-0.7 3,-1.1 1,-0.3 -1,-0.3 0.650 62.6 75.9 -41.0 -24.9 -3.3 -31.7 -19.1 183 89 B F G < + 0 0 118 -3,-1.4 -1,-0.3 1,-0.3 4,-0.2 0.304 62.0 102.3 -76.1 10.9 -3.7 -35.5 -18.9 184 90 B W G < S+ 0 0 110 -3,-1.7 2,-0.3 2,-0.1 -1,-0.3 0.645 87.7 41.7 -63.4 -15.7 -2.5 -35.1 -15.2 185 91 B E S < S- 0 0 144 -3,-1.1 2,-0.1 -4,-0.1 0, 0.0 -0.815 118.2 -66.1-126.8 165.6 -6.2 -35.5 -14.5 186 92 B N 0 0 160 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.361 360.0 360.0 -59.7 126.6 -8.8 -37.9 -16.0 187 93 B S 0 0 70 -4,-0.2 -1,-0.2 -2,-0.1 -4,-0.1 0.312 360.0 360.0-140.7 360.0 -9.3 -36.9 -19.7