==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 25-OCT-12 4HQM . COMPND 2 MOLECULE: QSRR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR Q.JI,L.ZHANG,M.B.JONES,F.SUN,X.DENG,H.LIANG,P.BRUGAROLAS,N.G . 199 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 72.4 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 . 17 8.5 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 . 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 . 7 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 47.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 1 0 0 2 0 2 2 0 0 0 0 0 1 1 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 . 1 1 1 0 0 1 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 . 1 1 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 4 A V > 0 0 82 0, 0.0 4,-0.6 0, 0.0 199,-0.1 0.000 360.0 360.0 360.0 3.5 -54.1 28.1 -14.7 2 5 A C T >4 + 0 0 53 1,-0.2 3,-2.5 2,-0.1 2,-1.5 0.747 360.0 17.3 -78.1-120.6 -51.2 29.0 -12.5 3 6 A P T 3> S+ 0 0 83 0, 0.0 4,-3.9 0, 0.0 5,-0.2 0.337 104.9 78.4 -53.5 0.1 -49.8 27.8 -9.2 4 7 A Y H 3> S+ 0 0 52 -2,-1.5 4,-3.4 2,-0.2 5,-0.2 0.963 100.1 47.6 -52.2 -44.7 -51.8 24.6 -9.3 5 8 A L H S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 114.0 47.1 -60.5 -43.9 -46.5 25.0 -9.2 7 10 A E H X S+ 0 0 75 -4,-3.9 4,-1.8 2,-0.2 -2,-0.2 0.922 112.5 49.2 -64.5 -43.0 -48.2 23.1 -6.5 8 11 A T H X S+ 0 0 2 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.958 112.3 47.6 -61.4 -47.5 -48.3 20.0 -8.6 9 12 A F H X S+ 0 0 4 -4,-2.7 4,-2.8 -5,-0.2 104,-0.4 0.848 105.6 58.9 -60.2 -39.8 -44.6 20.3 -9.5 10 13 A K H X S+ 0 0 91 -4,-2.1 4,-0.7 103,-0.3 -1,-0.2 0.935 108.4 45.3 -57.4 -42.7 -43.7 20.8 -6.0 11 14 A I H >< S+ 0 0 7 -4,-1.8 3,-0.9 1,-0.2 6,-0.3 0.895 112.2 51.8 -64.5 -43.1 -45.2 17.5 -5.1 12 15 A L H 3< S+ 0 0 1 -4,-2.1 6,-0.7 1,-0.2 -2,-0.2 0.868 99.8 63.9 -67.4 -33.4 -43.5 15.9 -8.0 13 16 A G H 3< S+ 0 0 7 -4,-2.8 -1,-0.2 96,-0.3 -2,-0.2 0.691 84.5 104.6 -57.1 -24.2 -40.2 17.4 -6.8 14 17 A R S << S- 0 0 95 -3,-0.9 4,-0.4 -4,-0.7 96,-0.1 0.134 88.4 -99.2 -54.7 160.5 -40.5 15.2 -3.7 15 18 A S S S+ 0 0 61 1,-0.2 4,-0.2 2,-0.1 91,-0.1 0.917 105.7 6.8 -66.2 -48.6 -38.4 12.2 -3.4 16 19 A W S > S+ 0 0 56 2,-0.1 4,-2.4 32,-0.1 5,-0.2 0.456 101.6 94.9-103.4 -14.5 -40.6 9.2 -4.4 17 20 A N H > S+ 0 0 0 -6,-0.3 4,-2.1 2,-0.2 5,-0.2 0.898 83.9 46.5 -57.2 -45.4 -43.8 10.9 -5.6 18 21 A G H > S+ 0 0 15 -6,-0.7 4,-2.1 -4,-0.4 -1,-0.2 0.935 114.4 49.9 -63.6 -41.3 -43.2 11.0 -9.3 19 22 A L H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.910 107.6 52.7 -58.9 -45.8 -42.0 7.5 -9.3 20 23 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.917 109.7 49.9 -58.7 -43.6 -45.1 6.3 -7.4 21 24 A I H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.925 111.4 48.1 -59.5 -47.3 -47.3 7.9 -9.9 22 25 A N H X S+ 0 0 51 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.898 109.2 54.4 -62.0 -44.7 -45.4 6.3 -12.8 23 26 A Y H X S+ 0 0 33 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.944 108.9 47.0 -51.2 -54.8 -45.6 3.0 -11.1 24 27 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.831 107.4 56.5 -63.3 -31.7 -49.3 3.1 -10.8 25 28 A S H < S+ 0 0 33 -4,-1.8 -1,-0.2 1,-0.2 5,-0.2 0.927 111.2 44.5 -61.7 -44.3 -49.8 4.2 -14.3 26 29 A R H < S+ 0 0 199 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.686 99.2 89.7 -74.5 -23.6 -47.9 1.2 -15.5 27 30 A S S >< S- 0 0 27 -4,-1.4 3,-1.5 -5,-0.2 5,-0.1 -0.388 92.7 -87.4 -73.8 146.9 -49.8 -1.3 -13.0 28 31 A N G > S+ 0 0 147 1,-0.3 3,-2.5 2,-0.2 -1,-0.1 -0.276 114.7 6.3 -58.3 145.6 -53.1 -3.1 -14.1 29 32 A D G 3 S- 0 0 131 1,-0.3 49,-0.5 -3,-0.1 -1,-0.3 0.716 122.1 -85.8 47.8 21.0 -56.3 -1.0 -13.4 30 33 A S G < S+ 0 0 17 -3,-1.5 48,-1.9 -5,-0.2 2,-0.4 0.944 102.9 124.7 48.4 43.2 -53.7 1.6 -12.5 31 34 A S E < +A 77 0A 30 -3,-2.5 2,-0.4 46,-0.2 46,-0.2 -0.997 39.2 179.7-140.7 129.3 -53.9 -0.1 -9.1 32 35 A A E -A 76 0A 1 44,-2.1 44,-2.2 -2,-0.4 2,-0.1 -0.994 27.9-123.1-128.0 135.6 -51.3 -1.6 -6.8 33 36 A H E >> -A 75 0A 61 -2,-0.4 4,-1.8 42,-0.2 3,-0.8 -0.420 37.8-110.4 -57.9 145.7 -51.5 -3.3 -3.4 34 37 A F H 3> S+ 0 0 48 40,-1.0 4,-2.0 1,-0.2 -1,-0.1 0.846 116.7 48.7 -43.2 -48.7 -49.2 -1.6 -0.8 35 38 A S H 3> S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.756 103.9 59.0 -77.1 -23.8 -46.8 -4.5 -0.7 36 39 A D H <> S+ 0 0 53 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.975 110.5 43.4 -60.3 -52.6 -46.5 -4.8 -4.4 37 40 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.878 109.6 58.3 -58.7 -43.5 -45.2 -1.3 -4.5 38 41 A K H < S+ 0 0 86 -4,-2.0 6,-0.3 -5,-0.2 -1,-0.2 0.952 113.5 35.2 -59.9 -48.1 -43.0 -1.8 -1.6 39 42 A R H < S+ 0 0 152 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.941 116.2 55.6 -68.4 -43.9 -41.0 -4.6 -3.1 40 43 A D H < S+ 0 0 47 -4,-2.7 2,-0.4 -5,-0.3 -2,-0.2 0.968 103.5 55.0 -59.5 -51.6 -41.1 -3.2 -6.6 41 44 A L S < S- 0 0 12 -4,-2.2 -21,-0.0 -5,-0.2 3,-0.0 -0.585 88.7-155.6 -69.6 118.6 -39.6 0.2 -5.5 42 45 A K S S+ 0 0 173 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.782 74.3 32.3 -67.1 -44.7 -36.6 -1.3 -3.9 43 46 A T S S+ 0 0 112 2,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.403 81.1 115.7-108.4 -10.0 -35.4 1.2 -1.4 44 47 A I - 0 0 7 -6,-0.3 -3,-0.0 -5,-0.1 0, 0.0 -0.571 59.9-135.3 -71.9 131.8 -38.5 2.9 -0.1 45 48 A T >> - 0 0 68 -2,-0.4 4,-2.2 1,-0.1 3,-1.0 -0.558 20.9-122.5 -77.0 135.2 -39.1 2.3 3.5 46 49 A P H 3> S+ 0 0 47 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.827 111.4 64.5 -63.4 -17.8 -42.8 1.5 4.0 47 50 A R H 3> S+ 0 0 204 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.889 108.4 43.3 -51.9 -46.7 -43.0 4.5 6.4 48 51 A A H <> S+ 0 0 26 -3,-1.0 4,-2.6 2,-0.2 5,-0.3 0.929 106.3 57.8 -71.5 -46.7 -42.2 6.5 3.5 49 52 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.898 108.9 47.1 -51.3 -44.6 -44.5 4.8 1.0 50 53 A S H X S+ 0 0 54 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.871 110.8 51.6 -59.3 -44.4 -47.5 5.5 3.2 51 54 A L H X S+ 0 0 86 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.938 112.8 45.6 -63.8 -42.3 -46.5 9.1 3.7 52 55 A K H X S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.888 111.3 51.9 -64.9 -43.8 -46.1 9.6 -0.0 53 56 A L H X S+ 0 0 4 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.948 107.3 53.2 -65.1 -41.9 -49.3 7.9 -0.8 54 57 A S H X S+ 0 0 47 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.915 108.0 51.7 -55.4 -44.5 -51.1 10.1 1.7 55 58 A E H X S+ 0 0 31 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.930 111.5 44.4 -58.7 -49.3 -49.8 13.1 -0.1 56 59 A L H <>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 6,-1.1 0.796 113.3 54.7 -70.2 -19.6 -50.9 12.0 -3.5 57 60 A A H ><5S+ 0 0 41 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.2 0.899 105.7 49.3 -71.4 -48.4 -54.1 11.1 -1.9 58 61 A Q H 3<5S+ 0 0 148 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.948 110.0 52.7 -63.5 -41.1 -54.5 14.5 -0.5 59 62 A W T 3<5S- 0 0 49 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.653 116.0-119.3 -58.5 -19.3 -53.8 15.8 -3.9 60 63 A E T < 5S+ 0 0 127 -3,-1.1 22,-0.3 -4,-0.4 21,-0.2 0.873 84.8 111.9 71.8 42.1 -56.5 13.5 -5.3 61 64 A L S S- 0 0 72 4,-0.1 3,-2.7 2,-0.1 -2,-0.1 -0.720 70.5-135.9 -57.7 96.6 -63.0 -9.4 0.4 70 73 A S T 3 S+ 0 0 98 -2,-1.4 -2,-0.1 1,-0.3 3,-0.1 -0.847 104.0 72.6 -90.7 87.6 -62.0 -10.2 4.0 71 74 A P T 3 S- 0 0 134 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.543 117.7-129.4 -83.5 7.9 -58.9 -11.8 4.1 72 75 A V < - 0 0 74 -3,-2.7 2,-0.2 1,-0.1 -4,-0.1 -0.021 27.0-153.0 86.6 153.0 -58.8 -7.9 3.2 73 76 A Q E - B 0 67A 83 -6,-0.6 -6,-2.7 -2,-0.1 2,-0.5 -0.713 1.3-161.0-143.9 140.6 -57.0 -6.2 0.4 74 77 A I E + B 0 66A 51 -2,-0.2 -40,-1.0 -8,-0.2 2,-0.4 -0.982 19.5 177.6-113.4 120.0 -55.7 -2.6 0.4 75 78 A I E -AB 33 65A 21 -10,-2.4 -10,-2.7 -2,-0.5 2,-0.5 -0.942 24.7-145.9-124.9 150.8 -55.2 -1.1 -3.0 76 79 A Y E -AB 32 64A 27 -44,-2.2 -44,-2.1 -2,-0.4 2,-0.3 -0.916 24.5-171.7-114.5 123.5 -54.1 2.3 -4.2 77 80 A V E -AB 31 63A 25 -14,-2.6 -14,-2.4 -2,-0.5 2,-0.4 -0.871 24.9-114.6-115.3 154.8 -55.7 3.3 -7.4 78 81 A L E - B 0 62A 7 -48,-1.9 -16,-0.2 -49,-0.5 -17,-0.1 -0.774 30.3-136.1 -94.7 136.5 -55.0 6.2 -9.7 79 82 A T > - 0 0 24 -18,-2.5 4,-2.9 -2,-0.4 5,-0.3 -0.270 30.3-100.3 -81.0 167.6 -57.8 8.6 -9.9 80 83 A E H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.936 128.3 50.3 -59.1 -35.8 -58.9 10.0 -13.3 81 84 A K H > S+ 0 0 12 -21,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 111.3 48.0 -64.6 -41.6 -56.9 13.1 -12.4 82 85 A G H > S+ 0 0 0 -22,-0.3 4,-2.1 -21,-0.2 -2,-0.2 0.923 112.2 47.6 -64.2 -44.6 -53.9 11.0 -11.5 83 86 A K H X S+ 0 0 76 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.912 111.4 51.8 -63.4 -42.0 -54.1 8.9 -14.7 84 87 A A H X S+ 0 0 29 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.918 108.7 51.9 -61.9 -41.0 -54.5 12.0 -16.7 85 88 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.911 105.4 54.1 -58.7 -46.2 -51.4 13.4 -15.0 86 89 A A H X S+ 0 0 5 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.922 109.2 48.2 -58.8 -42.9 -49.4 10.4 -15.7 87 90 A E H >< S+ 0 0 133 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.919 110.1 53.5 -56.3 -46.7 -50.2 10.8 -19.4 88 91 A A H 3< S+ 0 0 6 -4,-2.1 4,-0.4 1,-0.2 104,-0.4 0.846 104.2 56.0 -62.0 -38.4 -49.3 14.5 -19.1 89 92 A L H >X S+ 0 0 12 -4,-2.3 4,-1.8 1,-0.2 3,-1.1 0.811 84.5 84.2 -60.4 -40.8 -45.9 13.6 -17.6 90 93 A H H S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.900 110.5 52.1 -63.7 -34.8 -43.5 14.3 -22.9 92 95 A I H <> S+ 0 0 0 -3,-1.1 4,-2.5 -4,-0.4 -2,-0.2 0.861 106.9 51.5 -65.5 -38.7 -41.5 15.5 -19.9 93 96 A E H X S+ 0 0 52 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.932 111.1 49.3 -59.1 -44.2 -40.0 12.0 -19.5 94 97 A A H X S+ 0 0 50 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.913 109.2 51.3 -64.1 -43.1 -39.1 12.1 -23.1 95 98 A W H X S+ 0 0 10 -4,-2.5 4,-0.9 2,-0.2 3,-0.3 0.944 109.5 49.1 -59.0 -48.3 -37.6 15.4 -22.8 96 99 A A H >< S+ 0 0 3 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.931 108.3 54.8 -60.1 -43.7 -35.4 14.4 -19.9 97 100 A Q H 3< S+ 0 0 128 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.867 99.8 60.8 -53.4 -42.4 -34.3 11.3 -21.8 98 101 A S H 3< 0 0 89 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.782 360.0 360.0 -59.2 -29.7 -33.1 13.4 -24.7 99 102 A Y << 0 0 115 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.1 -0.211 360.0 360.0 -99.3 360.0 -30.7 15.2 -22.4 100 !* 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 0.0 101 4 B V > 0 0 87 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.8 -33.7 10.4 -16.0 102 5 B C H > + 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.988 360.0 31.5 -76.4 -62.1 -35.1 9.8 -12.6 103 6 B P H > S+ 0 0 91 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.576 115.5 63.1 -77.4 -4.3 -33.4 12.5 -10.6 104 7 B Y H > S+ 0 0 49 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.927 109.5 39.1 -76.3 -43.8 -33.3 14.7 -13.7 105 8 B L H X S+ 0 0 23 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.921 114.6 52.9 -67.5 -46.4 -37.0 14.8 -13.7 106 9 B E H X S+ 0 0 51 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.927 113.7 44.5 -58.5 -42.7 -37.3 15.0 -10.0 107 10 B E H X S+ 0 0 69 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.858 111.6 51.7 -66.0 -40.9 -35.0 18.0 -10.0 108 11 B T H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.931 110.6 49.9 -68.0 -37.4 -36.7 19.6 -12.9 109 12 B F H X S+ 0 0 11 -4,-2.7 4,-2.9 2,-0.2 -96,-0.3 0.911 108.1 53.1 -55.1 -50.2 -40.0 19.2 -11.1 110 13 B K H X S+ 0 0 68 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.944 109.7 46.9 -62.8 -41.6 -38.5 20.7 -8.1 111 14 B I H < S+ 0 0 9 -4,-2.3 3,-0.4 1,-0.2 6,-0.3 0.913 113.6 49.3 -59.4 -44.5 -37.3 23.7 -10.0 112 15 B L H < S+ 0 0 5 -4,-2.3 6,-0.5 1,-0.2 -2,-0.2 0.852 102.9 62.7 -66.7 -35.1 -40.8 24.0 -11.6 113 16 B G H < S+ 0 0 9 -4,-2.9 -103,-0.3 -104,-0.4 -1,-0.2 0.812 86.0 88.0 -55.8 -40.0 -42.3 23.7 -8.2 114 17 B R S X S- 0 0 100 -4,-1.4 4,-0.9 -3,-0.4 -105,-0.1 -0.259 91.6-109.1 -70.2 149.5 -40.7 26.9 -7.2 115 18 B S H > S+ 0 0 38 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.919 97.8 28.4 -68.3 -53.5 -42.8 29.9 -8.1 116 19 B W H > S+ 0 0 54 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.786 102.4 77.9 -67.6 -38.0 -41.6 32.0 -10.8 117 20 B N H > S+ 0 0 0 -6,-0.3 4,-1.5 2,-0.2 5,-0.2 0.920 95.3 46.8 -51.6 -44.2 -39.8 29.4 -12.7 118 21 B G H X S+ 0 0 27 -4,-0.9 4,-0.8 -6,-0.5 3,-0.3 0.969 116.6 43.7 -61.9 -50.4 -42.8 27.9 -14.2 119 22 B L H X S+ 0 0 50 -4,-0.9 4,-1.6 1,-0.2 3,-0.3 0.843 108.4 60.1 -59.5 -38.4 -44.3 31.3 -15.2 120 23 B I H X S+ 0 0 9 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.903 103.5 47.0 -61.6 -44.3 -40.9 32.7 -16.6 121 24 B I H X S+ 0 0 8 -4,-1.5 4,-1.3 -3,-0.3 -1,-0.2 0.658 104.3 64.0 -82.1 -8.8 -40.4 30.1 -19.3 122 25 B N H X S+ 0 0 39 -4,-0.8 4,-2.6 -3,-0.3 5,-0.3 0.942 107.7 41.6 -64.3 -49.0 -43.9 30.6 -20.2 123 26 B Y H X>S+ 0 0 32 -4,-1.6 4,-1.7 1,-0.2 5,-1.6 0.964 111.5 54.4 -61.8 -50.9 -42.9 34.2 -21.1 124 27 B L H <5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 54,-0.2 0.863 116.7 37.7 -53.8 -41.4 -39.7 33.2 -22.8 125 28 B S H <5S+ 0 0 39 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.883 132.8 23.3 -71.6 -48.9 -41.4 30.8 -25.1 126 29 B R H <5S+ 0 0 168 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.808 120.8 42.5 -87.2 -60.0 -44.6 33.0 -25.7 127 30 B S T <5S+ 0 0 58 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.739 94.1 94.9 -70.1 -25.6 -44.2 36.8 -25.1 128 31 B N < - 0 0 25 -5,-1.6 5,-0.1 1,-0.2 -4,-0.0 -0.295 56.3-167.1 -55.8 150.3 -40.9 36.8 -26.9 129 32 B D S S+ 0 0 154 3,-0.3 -1,-0.2 0, 0.0 4,-0.1 0.518 94.1 25.3-113.9 -11.8 -41.1 37.7 -30.5 130 33 B S S S- 0 0 104 2,-0.4 3,-0.1 0, 0.0 -2,-0.1 0.094 117.4 -99.7-142.2 30.6 -37.6 36.5 -31.2 131 34 B S S S+ 0 0 35 1,-0.3 47,-2.0 -7,-0.1 2,-0.2 0.629 94.9 97.4 62.6 28.9 -37.2 34.0 -28.3 132 35 B A - 0 0 19 45,-0.2 -2,-0.4 1,-0.1 -3,-0.3 -0.791 59.5-152.2-140.2 158.1 -35.2 36.4 -26.2 133 36 B H - 0 0 12 42,-0.5 3,-0.3 -2,-0.2 43,-0.2 0.777 2.5-168.3-107.4 -38.8 -36.4 38.7 -23.4 134 37 B F S S- 0 0 123 41,-1.3 40,-0.2 1,-0.2 41,-0.2 0.619 72.9 -76.5 49.2 25.2 -34.1 41.8 -23.1 135 38 B S - 0 0 35 40,-0.9 2,-0.6 1,-0.2 -1,-0.2 0.994 67.0-163.0 43.2 82.1 -35.9 42.4 -19.7 136 39 B D S > S- 0 0 75 -3,-0.3 3,-1.0 1,-0.3 -1,-0.2 -0.878 77.2 -10.5-106.4 119.6 -39.1 43.8 -21.2 137 40 B M T 3 S- 0 0 130 -2,-0.6 4,-0.4 1,-0.3 -1,-0.3 0.414 111.4 -91.4 69.8 11.2 -41.1 45.6 -18.7 138 41 B K T 3 S- 0 0 66 -3,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.993 103.0 -25.2 35.2 68.5 -38.5 43.9 -16.6 139 42 B R S < S- 0 0 34 -3,-1.0 2,-1.2 -6,-0.1 3,-0.1 0.160 100.9 -73.8 75.8 155.2 -41.2 41.3 -16.6 140 43 B D S S- 0 0 66 1,-0.0 -3,-0.1 -2,-0.0 -1,-0.1 -0.754 73.2 -87.9 -79.2 93.0 -44.8 42.4 -17.1 141 44 B L S S+ 0 0 134 -2,-1.2 3,-0.4 -4,-0.4 -1,-0.0 -0.096 74.5 147.3 42.7-116.6 -45.6 44.1 -13.7 142 45 B K - 0 0 48 1,-0.2 -1,-0.1 -3,-0.1 0, 0.0 0.321 66.1 -71.5 64.1 164.0 -46.8 41.2 -11.5 143 46 B T S S+ 0 0 135 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.223 92.6 113.0 -76.2 11.6 -46.4 40.5 -7.8 144 47 B I - 0 0 10 -3,-0.4 0, 0.0 4,-0.0 0, 0.0 -0.752 60.4-134.9-112.2 133.7 -42.7 39.7 -7.9 145 48 B T >> - 0 0 82 -2,-0.4 4,-2.7 1,-0.1 3,-0.9 -0.579 17.7-134.8 -78.1 139.9 -39.6 41.4 -6.7 146 49 B P H 3> S+ 0 0 70 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.758 107.1 68.3 -66.5 -19.8 -36.7 41.6 -9.1 147 50 B R H 3> S+ 0 0 222 2,-0.2 4,-1.1 1,-0.2 -3,-0.0 0.930 113.4 30.0 -48.9 -44.1 -34.6 40.5 -6.0 148 51 B A H <> S+ 0 0 29 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.717 116.9 58.6 -93.9 -23.4 -36.4 37.2 -6.4 149 52 B L H X S+ 0 0 3 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.930 106.4 49.4 -61.5 -46.0 -36.9 37.5 -10.1 150 53 B S H X S+ 0 0 59 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.908 108.4 54.8 -62.0 -40.9 -33.1 37.8 -10.5 151 54 B L H X S+ 0 0 81 -4,-1.1 4,-1.7 -5,-0.3 -1,-0.2 0.916 109.7 45.6 -54.2 -49.4 -32.8 34.7 -8.3 152 55 B K H X S+ 0 0 21 -4,-1.8 4,-2.2 2,-0.2 3,-0.4 0.959 108.4 53.9 -69.4 -45.8 -35.1 32.7 -10.5 153 56 B L H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.3 5,-0.2 0.940 107.8 53.6 -51.7 -46.5 -33.6 33.7 -13.8 154 57 B S H X S+ 0 0 66 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.871 105.9 52.4 -48.6 -47.6 -30.3 32.5 -12.3 155 58 B E H X S+ 0 0 31 -4,-1.7 4,-2.0 -3,-0.4 -2,-0.2 0.933 109.2 50.0 -59.3 -43.8 -31.8 29.1 -11.5 156 59 B L H <>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 6,-1.0 0.914 110.6 49.7 -55.6 -47.2 -33.0 28.8 -15.1 157 60 B A H ><5S+ 0 0 43 -4,-2.3 3,-1.7 -5,-0.2 -1,-0.2 0.885 106.4 54.6 -64.0 -41.1 -29.6 29.6 -16.3 158 61 B Q H 3<5S+ 0 0 141 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.916 107.5 51.8 -62.8 -33.6 -27.9 27.1 -14.1 159 62 B W T 3<5S- 0 0 33 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.135 115.8-116.4 -94.3 24.4 -30.1 24.4 -15.5 160 63 B E T < 5S+ 0 0 126 -3,-1.7 22,-0.5 2,-0.2 21,-0.4 0.665 85.8 117.7 56.2 22.8 -29.2 25.4 -19.0 161 64 B L S -D 173 0C 39 5,-0.9 5,-1.3 3,-0.2 2,-0.3 -0.845 46.4-171.1-139.1 110.6 -23.6 46.2 -23.8 169 72 B T T 5S+ 0 0 108 -2,-0.4 -3,-0.0 3,-0.3 3,-0.0 -0.687 72.1 86.2 -76.8 169.9 -22.4 47.3 -20.5 170 73 B S T 5S+ 0 0 108 -2,-0.3 -1,-0.2 0, 0.0 2,-0.0 0.898 123.9 6.1 67.6 71.6 -21.9 51.0 -21.3 171 74 B P T 5S- 0 0 94 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.776 112.2-114.6 -49.2 149.4 -25.3 51.2 -20.4 172 75 B V T 5 + 0 0 92 -5,-0.1 2,-0.5 1,-0.1 -3,-0.3 -0.204 39.6 175.6 -71.4 120.8 -26.0 47.7 -19.2 173 76 B Q E < -D 168 0C 99 -5,-1.3 -6,-2.0 -2,-0.3 -5,-0.9 -0.955 7.9-169.8-131.4 122.2 -28.5 45.8 -21.5 174 77 B I E -D 166 0C 35 -2,-0.5 -8,-0.2 -40,-0.2 -10,-0.0 -0.941 10.9-168.2-125.0 127.4 -29.2 42.2 -20.7 175 78 B I - 0 0 10 -10,-2.0 -41,-1.3 -2,-0.5 -40,-0.9 0.990 8.6-160.3 -75.9 -53.2 -31.1 39.6 -22.8 176 79 B Y - 0 0 27 -11,-0.2 -12,-0.2 -43,-0.2 2,-0.1 0.904 23.3-173.7 63.0 47.2 -32.0 36.5 -21.1 177 80 B V - 0 0 29 -14,-0.5 -14,-2.5 -45,-0.2 -45,-0.2 -0.370 22.9-113.9 -73.5 147.6 -32.6 34.3 -24.4 178 81 B L B -C 162 0B 6 -47,-2.0 -16,-0.2 -16,-0.2 2,-0.1 -0.603 26.4-136.7 -88.4 148.3 -34.0 30.6 -24.1 179 82 B T > - 0 0 32 -18,-2.8 4,-2.2 -2,-0.2 5,-0.1 -0.332 29.2 -98.9 -91.7-176.7 -31.9 27.5 -25.0 180 83 B E H > S+ 0 0 138 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.906 126.3 51.1 -64.4 -40.5 -32.8 24.4 -27.0 181 84 B K H > S+ 0 0 31 -21,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.911 113.2 44.9 -63.5 -43.4 -33.3 22.6 -23.7 182 85 B G H > S+ 0 0 1 -21,-0.5 4,-2.2 -22,-0.5 -1,-0.2 0.826 112.3 50.4 -64.0 -42.7 -35.5 25.3 -22.5 183 86 B K H X S+ 0 0 69 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.948 113.2 46.5 -64.3 -47.6 -37.5 25.5 -25.7 184 87 B A H X S+ 0 0 29 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.862 109.2 54.9 -56.8 -45.5 -38.0 21.8 -25.6 185 88 B L H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.938 107.9 49.1 -62.5 -42.6 -39.0 21.9 -22.0 186 89 B A H X S+ 0 0 10 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.883 110.6 51.9 -59.5 -39.4 -41.7 24.5 -22.8 187 90 B E H < S+ 0 0 129 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.913 110.5 47.0 -64.5 -42.7 -42.8 22.2 -25.6 188 91 B A H < S+ 0 0 10 -4,-2.6 4,-0.5 1,-0.2 -96,-0.3 0.798 105.0 64.0 -66.8 -33.5 -43.1 19.3 -23.2 189 92 B L H >X S+ 0 0 28 -4,-2.1 4,-2.0 -5,-0.2 3,-0.7 0.787 77.8 85.1 -57.8 -43.6 -44.9 21.5 -20.7 190 93 B H H 3X S+ 0 0 84 -4,-1.0 4,-2.3 -3,-0.5 -1,-0.2 0.841 87.1 49.7 -38.6 -47.7 -48.0 22.1 -22.9 191 94 B P H 3> S+ 0 0 53 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.926 112.6 46.3 -64.7 -38.6 -50.0 18.9 -22.0 192 95 B I H <> S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.5 -2,-0.2 0.853 110.7 54.5 -72.5 -28.4 -49.6 19.3 -18.2 193 96 B E H X S+ 0 0 56 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.936 110.1 46.2 -64.6 -44.0 -50.6 22.9 -18.6 194 97 B A H X S+ 0 0 60 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.938 111.9 50.9 -62.1 -47.6 -53.7 21.8 -20.4 195 98 B W H X S+ 0 0 12 -4,-2.6 4,-1.8 2,-0.2 5,-0.2 0.883 104.5 58.0 -55.3 -43.6 -54.4 19.2 -17.7 196 99 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.921 104.7 51.4 -60.1 -42.7 -54.0 21.8 -15.0 197 100 B Q H < S+ 0 0 97 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.897 104.4 57.0 -62.4 -41.4 -56.7 23.9 -16.5 198 101 B S H < S+ 0 0 96 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.977 118.0 30.6 -56.6 -48.8 -59.2 21.0 -16.7 199 102 B Y H < 0 0 86 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.811 360.0 360.0 -80.6 -34.5 -59.0 20.2 -12.9 200 103 B V < 0 0 98 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 0.434 360.0 360.0 -6.9 360.0 -58.3 23.6 -11.1