==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 02-JUL-10 3NSO . COMPND 2 MOLECULE: PROTEIN S100-A3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.UNNO,H.TAKAHARA,K.KIZAWA . 185 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 70.8 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 51.9 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+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 0 0 2 0 2 0 2 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 2 A A 0 0 135 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.6 37.1 36.1 -11.4 2 3 A R > - 0 0 99 1,-0.1 4,-2.3 131,-0.0 3,-0.3 -0.900 360.0-139.4-106.1 134.4 33.9 37.9 -10.4 3 4 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.843 101.6 49.4 -64.6 -37.4 33.0 38.1 -6.8 4 5 A L H > S+ 0 0 0 2,-0.2 4,-2.8 129,-0.2 5,-0.2 0.884 109.6 52.4 -67.9 -40.5 29.3 37.5 -7.3 5 6 A E H > S+ 0 0 25 128,-0.6 4,-2.4 -3,-0.3 5,-0.2 0.926 111.5 46.1 -58.4 -45.7 29.9 34.4 -9.6 6 7 A Q H X S+ 0 0 116 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.909 113.5 50.3 -66.1 -37.8 32.2 32.9 -7.0 7 8 A A H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.925 111.1 46.1 -65.6 -48.2 29.6 33.6 -4.2 8 9 A V H X S+ 0 0 2 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.922 111.8 52.0 -67.4 -37.9 26.7 32.1 -6.1 9 10 A A H X S+ 0 0 39 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.919 109.4 51.3 -59.9 -37.7 28.7 29.0 -7.0 10 11 A A H X S+ 0 0 22 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.884 104.8 55.8 -65.5 -37.5 29.6 28.7 -3.3 11 12 A I H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.909 110.9 44.8 -60.9 -38.9 25.9 28.9 -2.3 12 13 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.927 109.6 56.3 -72.7 -38.6 25.2 25.9 -4.7 13 14 A C H X S+ 0 0 75 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.925 107.7 47.5 -59.7 -43.7 28.2 24.0 -3.4 14 15 A T H X S+ 0 0 5 -4,-2.5 4,-1.8 1,-0.2 5,-0.3 0.929 111.7 50.7 -65.7 -41.6 27.0 24.2 0.2 15 16 A F H X S+ 0 0 0 -4,-1.8 4,-3.4 -5,-0.2 5,-0.4 0.945 109.9 50.4 -58.4 -47.5 23.5 23.1 -0.8 16 17 A Q H X S+ 0 0 93 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.882 106.0 56.9 -55.6 -44.1 24.9 20.1 -2.7 17 18 A E H < S+ 0 0 110 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.916 119.5 29.7 -57.3 -40.7 27.0 19.2 0.4 18 19 A Y H >< S+ 0 0 4 -4,-1.8 3,-1.3 -3,-0.2 4,-0.4 0.920 123.5 44.5 -87.4 -48.4 23.8 18.9 2.6 19 20 A A H >< S+ 0 0 2 -4,-3.4 3,-0.6 -5,-0.3 8,-0.3 0.835 108.2 59.9 -72.4 -22.5 21.2 17.9 0.1 20 21 A G T 3< S+ 0 0 45 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.1 0.478 80.0 90.9 -81.9 -2.3 23.5 15.3 -1.5 21 22 A R T < S- 0 0 119 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.951 104.5 -33.9 -56.6 -49.7 23.8 13.4 1.8 22 23 A C S < S+ 0 0 91 -3,-0.6 -1,-0.2 -4,-0.4 2,-0.0 -0.984 105.3 16.9-165.7 162.1 20.9 11.1 1.1 23 24 A G S S+ 0 0 75 -2,-0.3 2,-0.5 -3,-0.1 5,-0.0 -0.349 110.5 12.8 69.3-149.3 17.5 11.0 -0.5 24 25 A D > - 0 0 87 1,-0.2 3,-1.8 2,-0.1 -2,-0.2 -0.523 63.2-151.1 -71.9 117.5 16.4 13.6 -3.0 25 26 A K T 3 S+ 0 0 98 -2,-0.5 -1,-0.2 1,-0.3 -6,-0.1 0.551 93.2 57.2 -68.1 -6.2 19.4 15.6 -4.1 26 27 A Y T 3 S+ 0 0 26 -7,-0.1 45,-0.5 -6,-0.1 2,-0.3 0.386 103.5 56.8-103.1 2.3 17.2 18.6 -4.7 27 28 A K E < -A 70 0A 69 -3,-1.8 2,-0.3 -8,-0.3 43,-0.2 -0.927 55.8-161.4-133.6 156.1 15.7 19.0 -1.3 28 29 A L E -A 69 0A 1 41,-2.4 41,-1.3 -2,-0.3 2,-0.3 -0.883 25.1-121.2-121.7 158.6 16.6 19.4 2.4 29 30 A a > - 0 0 39 -2,-0.3 4,-2.2 39,-0.1 3,-0.4 -0.684 32.6-114.0 -82.4 150.3 14.6 18.8 5.6 30 31 A Q H > S+ 0 0 28 36,-1.3 4,-3.2 -2,-0.3 5,-0.2 0.869 120.5 59.6 -55.5 -32.0 14.2 21.9 7.8 31 32 A A H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 106.4 45.6 -62.7 -37.5 16.4 20.1 10.3 32 33 A E H > S+ 0 0 36 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.876 111.4 52.2 -69.6 -40.8 19.1 19.9 7.7 33 34 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.922 109.8 49.1 -64.5 -41.1 18.6 23.6 6.8 34 35 A K H X S+ 0 0 21 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.942 111.5 49.2 -65.1 -37.1 19.0 24.6 10.5 35 36 A E H X S+ 0 0 49 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.926 111.8 50.4 -60.6 -48.3 22.2 22.4 10.8 36 37 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.4 0.941 112.3 44.5 -54.3 -53.0 23.5 24.1 7.7 37 38 A L H X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.906 115.2 49.4 -66.1 -36.5 22.8 27.7 8.9 38 39 A Q H < S+ 0 0 107 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.877 122.0 32.0 -69.1 -40.9 24.2 26.9 12.4 39 40 A K H >< S+ 0 0 110 -4,-2.6 3,-0.8 -5,-0.2 -2,-0.2 0.897 125.1 40.4 -81.4 -40.6 27.4 25.3 11.1 40 41 A E H 3< S+ 0 0 28 -4,-3.3 58,-0.6 -5,-0.3 -3,-0.2 0.704 127.3 31.2 -89.8 -20.4 28.0 27.3 7.9 41 42 A L T >< S+ 0 0 5 -4,-1.6 3,-1.8 -5,-0.4 -1,-0.3 -0.333 78.2 143.8-123.4 37.1 27.1 30.8 9.2 42 43 A A T < + 0 0 49 -3,-0.8 -2,-0.1 1,-0.3 -1,-0.1 0.815 67.6 50.8 -53.5 -34.2 28.2 30.1 12.7 43 44 A T T 3 S+ 0 0 87 -4,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.535 84.8 105.0 -83.4 -7.8 29.5 33.7 13.3 44 45 A W < + 0 0 35 -3,-1.8 42,-0.1 -6,-0.1 -3,-0.1 -0.655 43.9 172.2 -87.0 133.7 26.4 35.5 12.2 45 46 A T - 0 0 95 -2,-0.4 6,-0.0 40,-0.4 -2,-0.0 -0.939 35.6 -83.8-138.0 152.2 24.1 37.1 14.8 46 47 A P - 0 0 37 0, 0.0 39,-0.3 0, 0.0 5,-0.1 -0.145 37.7-124.8 -62.6 147.0 21.1 39.4 14.8 47 48 A T > - 0 0 8 37,-2.9 3,-2.1 36,-0.1 4,-0.4 -0.297 43.3 -78.9 -81.7 173.1 21.3 43.3 14.6 48 49 A E T 3 S+ 0 0 121 1,-0.3 3,-0.2 2,-0.2 37,-0.0 0.719 126.5 31.0 -49.7 -40.6 19.7 45.8 17.0 49 50 A F T 3 S+ 0 0 110 41,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.248 113.7 62.5-106.9 14.6 16.0 45.6 15.8 50 51 A R <> + 0 0 57 -3,-2.1 4,-2.5 34,-0.2 5,-0.2 0.316 61.1 104.5-122.7 9.1 16.0 42.0 14.6 51 52 A E H > S+ 0 0 110 -4,-0.4 4,-2.9 -3,-0.2 5,-0.2 0.909 87.8 44.8 -60.4 -40.2 16.6 39.7 17.5 52 53 A C H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.821 113.1 49.6 -77.9 -27.3 13.0 38.6 17.9 53 54 A D H > S+ 0 0 66 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.889 114.5 47.4 -69.9 -40.7 12.5 38.1 14.1 54 55 A Y H X S+ 0 0 37 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.952 111.4 48.7 -64.3 -52.2 15.7 36.0 14.1 55 56 A N H X S+ 0 0 90 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.912 112.6 48.6 -58.7 -41.0 14.8 34.0 17.1 56 57 A K H X S+ 0 0 132 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.922 110.5 52.1 -64.1 -45.0 11.3 33.2 15.6 57 58 A F H X S+ 0 0 32 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.928 112.8 44.7 -51.2 -48.2 12.9 32.3 12.3 58 59 A M H X S+ 0 0 12 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.880 110.7 53.4 -70.6 -33.4 15.3 29.9 14.1 59 60 A S H X S+ 0 0 58 -4,-2.5 4,-1.8 -5,-0.2 5,-0.2 0.856 103.9 56.9 -71.3 -32.1 12.6 28.4 16.3 60 61 A V H X S+ 0 0 71 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.910 106.8 48.6 -65.0 -41.1 10.4 27.6 13.2 61 62 A L H < S+ 0 0 7 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.921 112.4 49.1 -63.3 -40.6 13.1 25.5 11.6 62 63 A D H < S+ 0 0 91 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.793 118.3 38.4 -71.5 -32.9 13.7 23.6 14.8 63 64 A T H < S+ 0 0 95 -4,-1.8 2,-1.2 1,-0.2 -1,-0.2 0.901 105.0 70.8 -82.0 -41.8 10.0 22.8 15.3 64 65 A N < - 0 0 66 -4,-2.9 2,-0.4 -5,-0.2 -34,-0.2 -0.572 57.2-172.8 -97.4 99.6 9.0 22.2 11.9 65 66 A K + 0 0 112 -2,-1.2 -1,-0.1 -35,-0.1 2,-0.1 0.220 29.3 147.5 -74.4 17.8 10.3 19.0 10.4 66 67 A D - 0 0 101 -2,-0.4 -36,-1.3 -37,-0.1 2,-0.1 -0.284 38.5-153.7 -66.5 130.3 9.1 19.4 6.7 67 68 A a S S+ 0 0 67 -38,-0.2 2,-0.4 1,-0.1 -38,-0.1 -0.146 70.6 95.0-103.5 39.0 11.3 17.9 4.1 68 69 A E + 0 0 69 -2,-0.1 2,-0.4 -41,-0.1 -39,-0.1 -0.843 39.7 132.5-124.8 78.5 10.3 20.2 1.4 69 70 A V E -A 28 0A 0 -41,-1.3 -41,-2.4 -2,-0.4 2,-0.1 -0.943 37.2-171.0-116.0 112.6 13.0 22.8 1.5 70 71 A D E > -A 27 0A 72 -2,-0.4 4,-2.4 -43,-0.2 5,-0.2 -0.346 40.5 -89.7 -92.0-179.4 14.1 23.3 -2.1 71 72 A F H > S+ 0 0 5 -45,-0.5 4,-2.6 1,-0.2 5,-0.2 0.919 126.6 51.8 -57.0 -43.8 17.0 25.3 -3.4 72 73 A V H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 110.9 48.4 -62.3 -39.5 14.9 28.5 -3.7 73 74 A E H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.875 109.7 52.6 -66.2 -41.1 13.7 28.2 -0.1 74 75 A Y H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.933 110.6 46.9 -59.4 -43.4 17.2 27.6 1.1 75 76 A V H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.901 108.4 55.9 -71.1 -33.6 18.4 30.7 -0.7 76 77 A R H X S+ 0 0 137 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.893 103.7 54.9 -61.7 -37.9 15.5 32.7 0.8 77 78 A S H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.911 107.0 50.0 -63.0 -39.1 16.6 31.6 4.2 78 79 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.915 109.5 51.9 -59.6 -43.1 20.1 33.1 3.5 79 80 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 109.7 49.6 -60.6 -45.5 18.5 36.3 2.4 80 81 A C H X S+ 0 0 19 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.923 106.3 54.4 -60.4 -40.5 16.5 36.4 5.7 81 82 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.863 107.1 53.4 -61.5 -33.6 19.6 35.8 7.7 82 83 A C H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 7,-0.3 0.935 107.8 49.5 -61.0 -53.2 21.1 38.9 5.9 83 84 A L H < S+ 0 0 40 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.875 119.3 39.2 -56.1 -36.6 18.2 41.0 6.9 84 85 A Y H < S+ 0 0 35 -4,-2.2 -37,-2.9 -5,-0.2 -1,-0.2 0.839 129.5 23.3 -78.4 -33.8 18.5 39.9 10.4 85 86 A C H < S+ 0 0 16 -4,-2.5 2,-0.5 -39,-0.3 -40,-0.4 0.494 95.7 88.4-119.5 -9.0 22.3 39.8 10.9 86 87 A H >< - 0 0 48 -4,-2.5 3,-1.8 -5,-0.3 4,-0.1 -0.837 67.0-139.0-101.4 131.2 24.0 42.1 8.4 87 88 A E G > S+ 0 0 112 -2,-0.5 3,-1.8 1,-0.3 4,-0.3 0.744 96.0 74.3 -59.0 -25.9 24.5 45.7 9.5 88 89 A Y G 3 S+ 0 0 27 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.876 102.8 41.2 -56.2 -33.1 23.6 47.1 6.1 89 90 A F G X S+ 0 0 1 -3,-1.8 3,-1.8 -7,-0.3 -1,-0.3 0.291 76.4 116.5 -98.8 11.6 19.9 46.2 6.8 90 91 A K T < S+ 0 0 46 -3,-1.8 -41,-0.2 1,-0.3 -1,-0.2 0.868 90.6 29.3 -47.0 -44.5 19.8 47.4 10.5 91 92 A D T 3 S+ 0 0 99 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.209 89.7 129.3-103.1 11.9 17.2 50.1 9.5 92 93 A C < 0 0 26 -3,-1.8 -3,-0.1 1,-0.1 -4,-0.0 -0.444 360.0 360.0 -71.7 136.8 15.5 48.4 6.6 93 94 A P 0 0 151 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.435 360.0 360.0 -94.5 360.0 11.7 48.2 6.7 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 3 B R > 0 0 136 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 134.2 33.9 29.8 5.9 96 4 B P H > + 0 0 83 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.847 360.0 50.0 -63.9 -38.5 33.0 29.7 2.3 97 5 B L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.890 109.0 52.3 -66.7 -39.8 29.3 30.3 2.8 98 6 B E H > S+ 0 0 25 -58,-0.6 4,-2.4 -3,-0.3 -1,-0.2 0.923 111.7 46.1 -60.7 -45.2 29.9 33.3 5.1 99 7 B Q H X S+ 0 0 136 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.904 113.4 50.5 -65.7 -38.3 32.2 34.9 2.5 100 8 B A H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.922 111.0 46.1 -64.6 -48.7 29.6 34.2 -0.2 101 9 B V H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.922 111.6 52.0 -66.5 -38.0 26.7 35.7 1.6 102 10 B A H X S+ 0 0 40 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.919 108.8 52.7 -62.4 -34.7 28.7 38.8 2.5 103 11 B A H X S+ 0 0 21 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.881 104.8 53.9 -67.0 -36.2 29.6 39.1 -1.2 104 12 B I H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.904 110.7 46.5 -67.7 -32.8 25.9 39.0 -2.2 105 13 B V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.918 109.7 55.0 -71.5 -39.2 25.2 41.8 0.2 106 14 B C H X S+ 0 0 70 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 108.3 48.0 -58.3 -43.6 28.2 43.8 -1.1 107 15 B T H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 5,-0.3 0.933 111.3 50.3 -65.1 -42.7 27.0 43.5 -4.7 108 16 B F H X S+ 0 0 0 -4,-1.8 4,-3.4 -5,-0.2 5,-0.4 0.950 109.8 50.5 -58.2 -46.9 23.5 44.7 -3.7 109 17 B Q H X S+ 0 0 94 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.876 105.8 57.6 -58.0 -40.5 24.9 47.7 -1.8 110 18 B E H < S+ 0 0 110 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.910 119.1 29.3 -59.5 -40.5 27.0 48.6 -4.9 111 19 B Y H >< S+ 0 0 3 -4,-1.8 3,-1.3 -3,-0.2 4,-0.4 0.919 123.4 45.1 -87.0 -49.5 23.8 48.9 -7.1 112 20 B A H >< S+ 0 0 2 -4,-3.4 3,-0.6 -5,-0.3 8,-0.3 0.820 108.2 59.6 -70.7 -23.1 21.1 49.9 -4.6 113 21 B G T 3< S+ 0 0 44 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.1 0.476 79.8 90.7 -82.9 -1.4 23.4 52.5 -3.0 114 22 B R T < S- 0 0 119 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.948 104.5 -32.6 -56.0 -49.8 23.8 54.4 -6.3 115 23 B C S < S+ 0 0 90 -3,-0.6 -1,-0.2 -4,-0.4 2,-0.0 -0.985 105.1 15.0-164.3 162.9 20.9 56.6 -5.6 116 24 B G S S+ 0 0 75 -2,-0.3 2,-0.5 -3,-0.1 5,-0.0 -0.332 110.4 14.4 68.7-148.9 17.5 56.8 -4.0 117 25 B D > - 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0 0 48 -4,-2.6 3,-1.9 -5,-0.3 4,-0.1 -0.819 66.7-138.9-100.4 132.3 24.0 25.6 -12.9 180 88 B E G > S+ 0 0 110 -2,-0.5 3,-1.9 1,-0.3 4,-0.3 0.761 95.7 74.6 -60.0 -25.9 24.5 22.0 -14.0 181 89 B Y G 3 S+ 0 0 26 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.867 102.8 41.5 -54.8 -34.2 23.6 20.7 -10.6 182 90 B F G X S+ 0 0 1 -3,-1.9 3,-1.7 -7,-0.3 -1,-0.3 0.258 75.8 116.3 -98.1 12.5 19.9 21.5 -11.3 183 91 B K T < S+ 0 0 46 -3,-1.9 -41,-0.3 1,-0.3 -1,-0.2 0.885 90.5 30.0 -49.1 -41.9 19.8 20.3 -14.9 184 92 B D T 3 S+ 0 0 100 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.225 88.7 129.2-105.7 12.4 17.2 17.6 -14.0 185 93 B C < 0 0 27 -3,-1.7 -3,-0.1 -9,-0.1 -4,-0.0 -0.451 360.0 360.0 -72.2 134.8 15.5 19.4 -11.1 186 94 B P 0 0 147 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.076 360.0 360.0 -94.3 360.0 11.7 19.5 -11.3