==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 30-SEP-09 2KOT . COMPND 2 MOLECULE: PROTEIN S100-A13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.G.RANI,S.K.MOHAN,C.YU . 196 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 55.6 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 . 4 2.0 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 . 2 1.0 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 . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 2 0 0 0 0 0 1 0 0 0 3 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 . 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 M 0 0 101 0, 0.0 2,-0.4 0, 0.0 187,-0.2 0.000 360.0 360.0 360.0 39.4 7.6 15.7 7.0 2 2 A A - 0 0 43 185,-0.6 2,-0.6 184,-0.2 195,-0.2 -0.984 360.0-136.3-138.5 124.4 6.7 13.9 10.2 3 3 A A - 0 0 19 -2,-0.4 184,-0.1 194,-0.2 180,-0.0 -0.700 25.1-173.9 -84.7 116.7 4.1 11.0 10.5 4 4 A E - 0 0 87 -2,-0.6 2,-0.1 182,-0.3 10,-0.0 -0.880 28.0-108.0-111.8 141.8 1.8 11.4 13.6 5 5 A P + 0 0 68 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.452 49.9 146.9 -69.9 136.8 -0.9 8.8 14.8 6 6 A L + 0 0 75 1,-0.5 2,-0.2 -2,-0.1 3,-0.0 0.530 58.6 6.7-130.1 -76.2 -4.6 9.7 14.2 7 7 A T S > S- 0 0 45 137,-0.1 4,-2.7 1,-0.1 -1,-0.5 -0.692 75.8-102.4-113.5 166.3 -7.1 6.8 13.5 8 8 A E H > S+ 0 0 114 -2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.875 124.0 41.4 -55.1 -42.0 -6.8 2.9 13.5 9 9 A L H > S+ 0 0 5 135,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.846 118.8 45.0 -75.4 -36.1 -6.6 2.8 9.7 10 10 A E H > S+ 0 0 3 134,-0.3 4,-0.9 1,-0.2 -2,-0.2 0.752 109.4 57.3 -76.9 -27.4 -4.3 5.9 9.4 11 11 A E H X S+ 0 0 93 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.829 99.2 59.5 -72.1 -34.0 -2.1 4.6 12.3 12 12 A S H X S+ 0 0 10 -4,-1.1 4,-1.3 1,-0.2 -2,-0.2 0.952 110.0 40.4 -59.7 -52.6 -1.3 1.3 10.4 13 13 A I H X S+ 0 0 15 -4,-1.0 4,-0.7 1,-0.2 -1,-0.2 0.741 116.6 52.9 -66.8 -24.1 0.3 3.2 7.4 14 14 A E H X S+ 0 0 12 -4,-0.9 4,-2.8 2,-0.2 5,-0.2 0.819 102.0 58.0 -78.5 -35.1 1.9 5.6 10.0 15 15 A T H X S+ 0 0 34 -4,-2.4 4,-1.6 1,-0.2 5,-0.2 0.876 103.9 52.0 -63.5 -38.8 3.5 2.6 12.0 16 16 A V H X S+ 0 0 25 -4,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.827 115.6 42.3 -67.1 -32.3 5.4 1.3 8.9 17 17 A V H X S+ 0 0 7 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.951 116.0 45.1 -78.8 -52.9 6.9 4.9 8.3 18 18 A T H < S+ 0 0 53 -4,-2.8 4,-0.2 1,-0.2 -2,-0.2 0.737 112.5 53.0 -65.1 -25.4 7.7 5.8 11.9 19 19 A T H < S+ 0 0 34 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.901 123.1 21.4 -80.4 -42.6 9.3 2.4 12.7 20 20 A F H >X S+ 0 0 15 -4,-0.9 4,-1.7 -5,-0.2 3,-1.4 0.704 108.0 73.4-100.6 -23.0 11.9 2.1 9.8 21 21 A F H 3X S+ 0 0 27 -4,-2.3 4,-1.4 1,-0.3 -3,-0.1 0.637 83.9 72.3 -67.6 -13.2 12.4 5.8 8.7 22 22 A T H 34 S+ 0 0 74 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.804 111.7 28.8 -67.3 -30.0 14.4 6.4 12.0 23 23 A F H X4 S+ 0 0 121 -3,-1.4 3,-1.0 2,-0.1 4,-0.3 0.688 114.2 63.2 -99.8 -27.7 17.2 4.3 10.3 24 24 A A H >< S+ 0 0 0 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.772 91.9 66.0 -68.4 -28.3 16.4 5.2 6.6 25 25 A R T 3< S+ 0 0 150 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.690 81.5 81.3 -65.6 -19.9 17.2 8.9 7.3 26 26 A Q T < S+ 0 0 142 -3,-1.0 -1,-0.2 4,-0.1 -2,-0.2 0.880 94.7 45.8 -53.0 -44.1 20.9 7.9 7.8 27 27 A E S < S- 0 0 102 -3,-0.8 5,-0.1 -4,-0.3 7,-0.0 -0.259 115.2 -48.6 -91.7-178.7 21.5 7.9 4.0 28 28 A G S S+ 0 0 38 -2,-0.1 -1,-0.2 5,-0.0 4,-0.1 -0.112 107.4 22.5 -52.3 147.9 20.4 10.5 1.4 29 29 A R - 0 0 174 -3,-0.1 -2,-0.1 2,-0.1 0, 0.0 0.621 67.0-131.7 64.9 137.0 16.7 11.8 1.4 30 30 A K S S+ 0 0 123 1,-0.1 -4,-0.1 -4,-0.1 -6,-0.1 0.861 106.6 43.4 -84.9 -40.1 14.5 11.7 4.5 31 31 A D S S+ 0 0 37 -6,-0.1 2,-0.3 2,-0.1 42,-0.2 0.628 101.7 87.5 -80.5 -15.6 11.4 10.2 2.7 32 32 A S S S- 0 0 5 40,-0.2 2,-0.3 -8,-0.1 40,-0.3 -0.639 71.3-136.3 -90.4 144.4 13.6 7.6 0.7 33 33 A L B -A 71 0A 6 38,-2.9 38,-2.5 -2,-0.3 -12,-0.1 -0.746 28.3-105.5 -96.2 145.0 14.6 4.1 2.0 34 34 A S > - 0 0 4 -2,-0.3 4,-1.2 36,-0.2 5,-0.1 -0.304 14.6-135.4 -70.0 152.9 18.2 2.8 1.6 35 35 A V T 4 S+ 0 0 60 34,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.724 105.3 39.4 -79.3 -24.5 19.0 0.1 -1.0 36 36 A N T > S+ 0 0 111 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.718 115.4 50.4 -96.3 -26.5 21.2 -1.9 1.4 37 37 A E H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.806 103.2 57.2 -82.8 -33.2 19.1 -1.5 4.6 38 38 A F H X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.843 104.6 54.0 -66.2 -33.5 15.7 -2.6 3.1 39 39 A K H > S+ 0 0 79 -4,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.844 110.2 46.6 -67.3 -35.8 17.3 -6.0 2.1 40 40 A E H < S+ 0 0 110 -4,-0.7 5,-0.2 2,-0.2 -2,-0.2 0.824 110.8 53.0 -74.0 -34.0 18.4 -6.5 5.7 41 41 A L H >X>S+ 0 0 23 -4,-1.8 5,-2.1 1,-0.2 4,-1.6 0.879 106.4 51.8 -67.9 -40.7 14.9 -5.5 7.1 42 42 A V H 3<5S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.690 114.2 44.7 -70.0 -19.3 13.1 -8.1 4.8 43 43 A T T 3<5S+ 0 0 78 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.222 128.2 24.3-108.0 13.3 15.5 -10.8 6.1 44 44 A Q T <45S+ 0 0 165 -3,-1.1 -3,-0.2 -5,-0.0 -2,-0.2 0.543 134.8 18.9-138.2 -56.7 15.2 -9.8 9.9 45 45 A Q T <5S+ 0 0 51 -4,-1.6 64,-0.4 -5,-0.2 63,-0.4 0.614 135.6 33.3 -98.7 -17.7 11.9 -7.9 10.8 46 46 A L S > + 0 0 2 -2,-1.5 4,-2.9 -3,-0.2 3,-0.3 0.350 40.7 96.0-104.5 2.5 14.6 -10.2 -3.9 57 57 A D H > S+ 0 0 96 -3,-0.2 4,-1.5 1,-0.2 5,-0.2 0.797 77.2 61.8 -63.5 -30.4 16.3 -9.3 -7.3 58 58 A E H > S+ 0 0 131 -3,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.913 116.6 29.0 -62.1 -45.1 12.9 -9.6 -9.1 59 59 A K H > S+ 0 0 28 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.813 111.3 68.1 -84.6 -33.3 11.3 -6.8 -7.0 60 60 A M H X S+ 0 0 65 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.835 106.8 41.2 -54.7 -37.0 14.7 -4.9 -6.4 61 61 A K H < S+ 0 0 145 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.875 114.5 50.5 -78.5 -40.6 14.8 -4.0 -10.2 62 62 A S H < S+ 0 0 47 -4,-0.9 3,-0.2 -5,-0.2 -2,-0.2 0.806 108.6 55.2 -66.5 -31.9 11.0 -3.2 -10.4 63 63 A L H < S+ 0 0 1 -4,-2.6 2,-1.7 1,-0.2 3,-0.2 0.980 104.2 50.7 -65.6 -60.0 11.2 -0.9 -7.3 64 64 A D < + 0 0 20 -4,-1.3 -1,-0.2 1,-0.2 7,-0.1 -0.593 64.7 154.6 -84.1 80.4 14.0 1.5 -8.6 65 65 A V S S+ 0 0 95 -2,-1.7 -1,-0.2 -3,-0.2 -2,-0.1 0.773 76.3 43.5 -76.9 -28.7 12.4 2.3 -12.1 66 66 A N S S- 0 0 117 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.734 99.2-143.0 -86.8 -27.1 14.4 5.7 -12.3 67 67 A Q + 0 0 153 -6,-0.1 4,-0.1 3,-0.1 -2,-0.0 0.988 48.0 137.0 58.8 84.1 17.7 4.2 -11.1 68 68 A D S S- 0 0 120 2,-0.3 3,-0.1 0, 0.0 -4,-0.0 0.675 72.9 -77.7-117.1 -70.6 19.3 6.9 -8.9 69 69 A S S S+ 0 0 82 1,-0.7 -34,-0.2 -41,-0.0 2,-0.2 0.165 101.0 31.3-164.4 -55.6 20.9 5.5 -5.7 70 70 A E S S- 0 0 32 -36,-0.1 2,-0.8 -35,-0.1 -1,-0.7 -0.591 84.5 -96.5-113.4 175.3 18.2 4.8 -3.0 71 71 A L B -A 33 0A 1 -38,-2.5 -38,-2.9 -2,-0.2 -7,-0.1 -0.823 36.9-158.0-100.0 99.7 14.5 3.6 -3.1 72 72 A K >> - 0 0 72 -2,-0.8 4,-3.9 -40,-0.3 3,-0.9 -0.247 35.4-103.4 -66.4 162.7 12.2 6.7 -2.8 73 73 A F H 3> S+ 0 0 4 1,-0.3 4,-1.1 2,-0.2 7,-0.1 0.819 126.3 55.0 -60.6 -29.1 8.6 6.0 -1.5 74 74 A N H 34 S+ 0 0 77 2,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.782 118.0 35.4 -70.9 -28.3 7.4 6.4 -5.2 75 75 A E H X4 S+ 0 0 19 -3,-0.9 3,-1.1 2,-0.1 -2,-0.2 0.849 117.4 50.6 -89.3 -43.3 9.9 3.6 -6.2 76 76 A Y H >X S+ 0 0 13 -4,-3.9 3,-2.1 1,-0.2 4,-1.1 0.648 87.2 89.4 -68.4 -17.5 9.6 1.5 -3.0 77 77 A W H 3X S+ 0 0 37 -4,-1.1 4,-1.5 -5,-0.3 -1,-0.2 0.709 73.1 69.5 -53.7 -25.1 5.8 1.6 -3.5 78 78 A R H <> S+ 0 0 94 -3,-1.1 4,-0.7 1,-0.2 -1,-0.3 0.756 105.1 40.3 -66.6 -25.1 6.1 -1.7 -5.6 79 79 A L H <> S+ 0 0 0 -3,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.694 105.8 64.6 -93.5 -25.9 7.0 -3.6 -2.4 80 80 A I H X S+ 0 0 8 -4,-1.1 4,-1.0 2,-0.2 -2,-0.2 0.859 105.7 45.5 -63.5 -37.7 4.4 -1.8 -0.2 81 81 A G H X S+ 0 0 0 -4,-1.5 4,-1.1 1,-0.2 3,-0.3 0.893 112.4 49.4 -71.5 -41.6 1.6 -3.4 -2.4 82 82 A E H X S+ 0 0 44 -4,-0.7 4,-2.3 1,-0.2 -2,-0.2 0.713 101.7 67.6 -67.9 -22.7 3.3 -6.9 -2.3 83 83 A L H < S+ 0 0 6 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.938 112.5 28.3 -61.7 -49.2 3.5 -6.4 1.6 84 84 A A H < S+ 0 0 4 -4,-1.0 4,-0.4 -3,-0.3 -2,-0.2 0.563 121.2 56.2 -89.3 -11.8 -0.3 -6.5 2.0 85 85 A K H X S+ 0 0 23 -4,-1.1 4,-1.2 2,-0.1 3,-0.3 0.830 110.7 40.9 -87.4 -37.4 -0.9 -8.8 -1.1 86 86 A E H X S+ 0 0 27 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.529 98.4 78.9 -87.2 -7.8 1.5 -11.7 0.0 87 87 A I H 4 S+ 0 0 0 -4,-0.3 16,-0.4 2,-0.2 -1,-0.2 0.888 113.7 16.5 -66.6 -38.7 0.3 -11.5 3.7 88 88 A R H 4 S+ 0 0 7 -4,-0.4 10,-0.2 -3,-0.3 -2,-0.2 0.723 141.4 28.7-105.3 -30.1 -2.9 -13.5 2.9 89 89 A K H < + 0 0 37 -4,-1.2 3,-0.5 1,-0.1 -2,-0.2 -0.500 64.2 135.5-134.0 65.7 -2.0 -15.0 -0.6 90 90 A K S < S+ 0 0 44 -4,-0.5 2,-0.1 1,-0.2 -1,-0.1 0.847 94.1 16.3 -76.2 -35.4 1.8 -15.6 -0.8 91 91 A K S >> S+ 0 0 99 4,-0.3 2,-2.2 -3,-0.1 4,-1.2 -0.610 74.7 178.7-137.3 70.5 1.2 -19.1 -2.3 92 92 A D T 34 S+ 0 0 108 -3,-0.5 4,-0.1 1,-0.2 -3,-0.1 -0.467 75.7 46.7 -77.2 72.1 -2.5 -19.2 -3.4 93 93 A L T 34 S+ 0 0 170 -2,-2.2 -1,-0.2 2,-0.4 3,-0.1 0.124 116.4 31.8-171.0 -48.4 -2.3 -22.8 -4.8 94 94 A K T <4 S+ 0 0 180 -3,-0.6 2,-0.5 1,-0.3 -2,-0.1 0.900 127.0 28.8 -89.9 -54.2 -0.5 -25.1 -2.2 95 95 A I < + 0 0 106 -4,-1.2 -2,-0.4 1,-0.1 -1,-0.3 -0.955 59.5 153.7-113.9 125.3 -1.6 -23.4 1.1 96 96 A R + 0 0 179 -2,-0.5 -1,-0.1 -3,-0.1 -4,-0.1 -0.120 53.2 76.9-142.7 40.4 -5.0 -21.5 1.3 97 97 A K 0 0 192 3,-0.1 -1,-0.1 4,-0.1 -9,-0.0 -0.425 360.0 360.0-152.7 69.3 -6.1 -21.6 5.0 98 98 A K 0 0 95 -10,-0.2 4,-0.2 3,-0.1 -10,-0.1 0.621 360.0 360.0-106.5 360.0 -4.2 -19.1 7.2 99 !* 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 0.0 100 1 B M 0 0 123 0, 0.0 2,-0.2 0, 0.0 -12,-0.1 0.000 360.0 360.0 360.0 -38.3 -6.5 -16.9 2.0 101 2 B A - 0 0 50 -14,-0.1 2,-0.5 -13,-0.1 -3,-0.1 -0.582 360.0-108.2 -98.0 161.5 -7.2 -14.7 5.1 102 3 B A - 0 0 16 -2,-0.2 -14,-0.1 -4,-0.2 -15,-0.0 -0.789 34.7-176.1 -93.9 125.0 -4.9 -12.3 6.9 103 4 B E - 0 0 97 -2,-0.5 11,-0.0 -16,-0.4 10,-0.0 -0.939 35.2 -92.4-120.4 141.5 -3.5 -13.3 10.4 104 5 B P + 0 0 74 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.165 54.1 154.2 -52.2 141.3 -1.3 -11.1 12.8 105 6 B L - 0 0 51 1,-0.4 2,-0.1 2,-0.0 0, 0.0 -0.125 47.2 -10.1-136.3-128.5 2.6 -11.6 12.4 106 7 B T S > S- 0 0 46 -2,-0.1 4,-3.9 -61,-0.1 -1,-0.4 -0.372 75.9 -94.5 -80.1 162.0 5.7 -9.3 13.2 107 8 B E H > S+ 0 0 113 1,-0.2 4,-1.0 2,-0.2 -61,-0.1 0.828 127.2 37.9 -41.4 -48.7 5.4 -5.5 14.1 108 9 B L H > S+ 0 0 4 -63,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.881 120.3 46.2 -73.6 -41.2 5.9 -4.3 10.4 109 10 B E H > S+ 0 0 0 -64,-0.4 4,-1.1 1,-0.2 -2,-0.2 0.856 109.1 55.9 -68.8 -37.3 3.9 -7.2 8.9 110 11 B E H X S+ 0 0 88 -4,-3.9 4,-2.4 2,-0.2 -1,-0.2 0.802 101.5 58.0 -66.4 -32.8 1.0 -6.7 11.4 111 12 B S H X S+ 0 0 11 -4,-1.0 4,-1.1 -5,-0.3 -1,-0.2 0.971 113.6 36.1 -63.0 -55.2 0.6 -3.0 10.4 112 13 B I H < S+ 0 0 16 -4,-1.2 4,-0.5 1,-0.2 -1,-0.2 0.670 117.4 57.0 -70.6 -18.1 -0.2 -3.8 6.7 113 14 B E H >X S+ 0 0 4 -4,-1.1 4,-1.5 2,-0.2 3,-0.6 0.860 100.9 54.6 -78.5 -40.5 -2.1 -6.9 7.9 114 15 B T H 3X S+ 0 0 37 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.833 99.5 61.7 -63.6 -34.7 -4.5 -5.0 10.2 115 16 B V H 3X S+ 0 0 27 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.821 105.6 48.7 -61.1 -32.1 -5.6 -2.7 7.2 116 17 B V H <> S+ 0 0 6 -3,-0.6 4,-2.1 -4,-0.5 -2,-0.2 0.962 111.6 46.0 -71.5 -53.9 -6.9 -5.9 5.4 117 18 B T H < S+ 0 0 57 -4,-1.5 4,-0.5 1,-0.2 -2,-0.2 0.745 108.8 57.5 -63.3 -28.1 -8.9 -7.4 8.3 118 19 B T H < S+ 0 0 27 -4,-1.8 3,-0.3 1,-0.1 -1,-0.2 0.941 119.1 25.5 -71.4 -49.4 -10.6 -4.0 9.2 119 20 B F H >X S+ 0 0 15 -4,-1.1 4,-1.9 1,-0.2 3,-1.3 0.680 106.9 75.6 -90.1 -19.6 -12.3 -3.2 5.8 120 21 B F H 3X S+ 0 0 39 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.728 82.8 70.9 -64.5 -21.2 -12.6 -6.9 4.5 121 22 B T H 34 S+ 0 0 67 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.805 112.6 27.8 -63.0 -31.1 -15.5 -7.4 6.9 122 23 B F H X4 S+ 0 0 124 -3,-1.3 3,-0.6 -4,-0.1 4,-0.3 0.691 116.0 60.5-101.6 -27.4 -17.7 -5.1 4.7 123 24 B A H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.740 90.0 72.7 -72.4 -24.2 -15.9 -5.8 1.3 124 25 B R T 3< S+ 0 0 151 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.791 83.4 69.0 -59.6 -32.1 -16.8 -9.6 1.5 125 26 B Q T < S+ 0 0 165 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.1 0.807 97.3 59.4 -58.9 -33.7 -20.5 -8.8 0.7 126 27 B E S < S- 0 0 102 -3,-1.0 5,-0.1 -4,-0.3 7,-0.0 -0.311 109.2 -58.7 -90.0 176.6 -19.5 -7.8 -2.9 127 28 B G S S+ 0 0 47 -2,-0.1 -1,-0.2 3,-0.0 4,-0.1 -0.239 108.4 17.5 -58.7 142.6 -17.9 -9.9 -5.7 128 29 B R - 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