==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 15-NOV-09 3KP6 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR TCAR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS RP62A; . AUTHOR Y.M.CHANG,C.K.CHEN,Y.J.YEH,A.H.WANG . 276 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 76.8 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 . 9 3.3 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 . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 2 0 0 1 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 2 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 3 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 . 3 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 V 0 0 179 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -45.5 -46.9 69.0 27.4 2 3 A R > + 0 0 187 1,-0.2 3,-0.8 2,-0.1 4,-0.2 -0.484 360.0 138.5-109.9 65.8 -44.2 67.5 25.1 3 4 A R T >> + 0 0 164 -2,-0.5 4,-1.3 1,-0.2 3,-1.2 0.444 53.6 94.6 -81.1 0.4 -45.4 67.4 21.5 4 5 A I H 3> S+ 0 0 57 1,-0.3 4,-2.7 2,-0.2 3,-0.4 0.886 75.2 64.1 -58.7 -34.5 -41.9 68.5 20.4 5 6 A E H <> S+ 0 0 83 -3,-0.8 4,-2.0 1,-0.3 -1,-0.3 0.826 99.6 52.7 -56.8 -33.9 -41.2 64.8 19.9 6 7 A D H <> S+ 0 0 71 -3,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.857 109.2 47.9 -70.6 -37.8 -43.8 64.8 17.2 7 8 A H H X S+ 0 0 70 -4,-1.3 4,-3.0 -3,-0.4 5,-0.2 0.950 111.9 49.1 -68.5 -48.0 -42.1 67.8 15.4 8 9 A I H X S+ 0 0 24 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.927 111.4 51.5 -54.0 -46.7 -38.7 66.2 15.6 9 10 A S H X S+ 0 0 23 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.904 110.5 47.5 -58.1 -45.4 -40.2 62.9 14.3 10 11 A F H X S+ 0 0 24 -4,-2.1 4,-2.7 2,-0.2 3,-0.3 0.960 110.6 51.0 -61.0 -54.6 -41.8 64.7 11.3 11 12 A L H X S+ 0 0 44 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.884 112.7 47.7 -49.2 -42.7 -38.5 66.6 10.6 12 13 A E H X S+ 0 0 30 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.838 111.1 49.4 -69.7 -33.9 -36.7 63.2 10.6 13 14 A K H X S+ 0 0 69 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.850 112.6 49.7 -70.5 -37.4 -39.3 61.5 8.4 14 15 A F H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.930 111.4 46.3 -66.3 -50.6 -39.0 64.5 6.0 15 16 A I H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.928 112.6 52.7 -59.8 -43.5 -35.2 64.3 5.9 16 17 A N H X S+ 0 0 12 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.913 109.7 47.4 -59.4 -44.4 -35.5 60.6 5.4 17 18 A D H X S+ 0 0 10 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.869 108.8 54.1 -67.7 -35.7 -37.9 61.0 2.5 18 19 A V H X S+ 0 0 14 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.879 111.0 46.6 -63.9 -38.6 -35.7 63.6 0.8 19 20 A N H X S+ 0 0 59 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.930 111.2 51.1 -69.3 -45.2 -32.7 61.2 1.0 20 21 A T H X S+ 0 0 7 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.938 114.3 43.5 -58.0 -50.0 -34.7 58.3 -0.3 21 22 A L H X S+ 0 0 14 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.872 112.1 53.6 -65.2 -36.8 -36.0 60.4 -3.3 22 23 A T H X S+ 0 0 23 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.952 107.6 50.2 -64.0 -45.8 -32.6 61.9 -4.0 23 24 A A H X S+ 0 0 48 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.859 113.2 46.5 -58.3 -40.9 -30.9 58.4 -4.2 24 25 A K H < S+ 0 0 86 -4,-1.7 4,-0.4 -5,-0.2 3,-0.2 0.864 113.0 47.8 -69.3 -42.5 -33.5 57.1 -6.6 25 26 A L H < S+ 0 0 52 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.788 118.8 40.8 -71.5 -27.5 -33.4 60.2 -8.9 26 27 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.522 87.1 92.6-101.9 -2.2 -29.7 60.1 -9.0 27 28 A K H X S+ 0 0 138 -4,-0.8 4,-1.7 -3,-0.2 5,-0.2 0.904 87.8 47.0 -58.0 -48.2 -28.9 56.4 -9.3 28 29 A D H > S+ 0 0 139 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.897 114.3 47.3 -63.3 -40.1 -28.8 56.3 -13.1 29 30 A L H > S+ 0 0 23 -4,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.873 109.7 52.2 -68.6 -39.1 -26.6 59.4 -13.3 30 31 A Q H <>S+ 0 0 14 -4,-2.3 5,-3.5 2,-0.2 -1,-0.2 0.848 110.7 50.0 -64.4 -34.9 -24.1 58.2 -10.6 31 32 A T H ><5S+ 0 0 94 -4,-1.7 3,-2.5 3,-0.2 -2,-0.2 0.930 104.8 55.2 -69.4 -48.7 -23.8 54.9 -12.6 32 33 A E H 3<5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 113.3 44.1 -56.1 -27.4 -23.1 56.7 -15.9 33 34 A Y T 3<5S- 0 0 35 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.375 115.1-120.9 -97.7 5.5 -20.3 58.4 -14.0 34 35 A G T < 5S+ 0 0 60 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.869 71.3 120.0 59.2 40.5 -19.2 55.2 -12.4 35 36 A I < - 0 0 11 -5,-3.5 -1,-0.2 -6,-0.1 -2,-0.2 -0.926 56.5-124.3-134.0 158.4 -19.7 56.5 -8.8 36 37 A S > - 0 0 35 -2,-0.3 4,-1.8 -3,-0.1 3,-0.1 -0.477 31.3-105.8 -96.4 169.9 -21.7 55.6 -5.8 37 38 A A H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.830 120.1 53.9 -63.9 -35.9 -24.1 57.7 -3.8 38 39 A E H > S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.838 112.0 45.5 -68.4 -33.5 -21.7 58.0 -0.9 39 40 A Q H > S+ 0 0 21 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.800 110.5 55.0 -75.7 -32.6 -19.1 59.3 -3.3 40 41 A S H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.913 104.1 53.9 -65.9 -42.2 -21.8 61.5 -4.8 41 42 A H H X S+ 0 0 107 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.934 108.8 49.5 -52.4 -55.6 -22.4 63.0 -1.3 42 43 A V H X S+ 0 0 11 -4,-1.5 4,-1.5 1,-0.3 3,-0.4 0.855 109.1 50.1 -55.5 -42.5 -18.8 63.9 -0.9 43 44 A L H X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.2 -1,-0.3 0.840 103.9 60.8 -68.1 -30.2 -18.6 65.6 -4.3 44 45 A N H < S+ 0 0 21 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 103.9 52.1 -64.4 -28.9 -21.7 67.5 -3.3 45 46 A M H >X S+ 0 0 30 -4,-1.1 3,-1.5 -3,-0.4 4,-1.0 0.916 105.6 50.8 -71.1 -46.6 -19.6 68.9 -0.5 46 47 A L H 3< S+ 0 0 7 -4,-1.5 42,-0.3 1,-0.3 -1,-0.2 0.601 96.3 69.3 -69.5 -13.0 -16.6 70.1 -2.6 47 48 A S T 3< S+ 0 0 38 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.563 99.7 54.1 -79.7 -9.2 -19.0 72.0 -5.0 48 49 A I T <4 S- 0 0 107 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.938 130.6 -25.8 -84.4 -65.9 -19.5 74.3 -2.1 49 50 A E S < S- 0 0 109 -4,-1.0 -1,-0.3 37,-0.0 -2,-0.1 -0.962 72.0 -96.5-153.7 136.0 -15.9 75.2 -1.2 50 51 A A + 0 0 41 -2,-0.3 37,-0.2 -3,-0.1 2,-0.1 -0.375 55.7 167.7 -54.7 135.3 -12.5 73.4 -1.8 51 52 A L - 0 0 12 35,-0.5 2,-0.3 34,-0.0 -1,-0.1 -0.500 29.0-118.8-137.1-173.8 -11.4 71.4 1.4 52 53 A T > - 0 0 41 -2,-0.1 4,-1.9 33,-0.1 3,-0.4 -0.979 42.0 -92.4-130.6 167.9 -9.0 68.7 3.1 53 54 A V H > S+ 0 0 46 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.718 121.4 60.1 -55.8 -18.2 -9.4 65.2 4.9 54 55 A G H > S+ 0 0 41 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.985 108.0 38.0 -71.9 -60.2 -9.6 67.0 8.2 55 56 A Q H > S+ 0 0 74 -3,-0.4 4,-1.8 1,-0.2 5,-0.4 0.929 116.0 56.1 -55.8 -48.0 -12.6 69.2 7.5 56 57 A I H X S+ 0 0 8 -4,-1.9 4,-1.8 1,-0.2 5,-0.2 0.852 103.8 50.7 -53.3 -46.1 -14.3 66.3 5.6 57 58 A T H X S+ 0 0 28 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.874 113.1 47.7 -64.1 -38.3 -14.1 63.8 8.5 58 59 A E H < S+ 0 0 132 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.1 0.999 115.3 38.5 -64.6 -72.8 -15.6 66.2 11.0 59 60 A K H < S+ 0 0 73 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.890 117.3 54.1 -44.5 -49.4 -18.6 67.6 9.1 60 61 A Q H < S- 0 0 46 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 0.973 104.6-151.1 -49.6 -59.3 -19.2 64.1 7.7 61 62 A G < + 0 0 17 -4,-2.3 2,-0.9 -5,-0.2 -1,-0.2 -0.961 57.7 26.4 123.5-140.1 -19.2 62.8 11.2 62 63 A V S S+ 0 0 91 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 -0.471 74.6 135.3 -66.8 101.3 -18.2 59.4 12.4 63 64 A N + 0 0 48 -2,-0.9 -2,-0.1 -6,-0.1 -3,-0.0 -0.893 6.3 145.4-152.7 106.5 -15.7 58.2 9.8 64 65 A K S S+ 0 0 210 -2,-0.3 -2,-0.0 3,-0.0 -1,-0.0 0.030 70.9 22.7-137.0 30.5 -12.5 56.6 10.9 65 66 A A S S+ 0 0 93 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.272 122.3 23.8-154.6 -65.5 -11.5 54.0 8.3 66 67 A A S S+ 0 0 52 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.252 94.8 87.3-112.1 45.9 -12.8 54.1 4.7 67 68 A V S S+ 0 0 13 2,-0.1 4,-0.3 3,-0.1 -1,-0.2 0.626 93.7 45.8-107.6 -28.6 -13.6 57.8 4.3 68 69 A S S > S+ 0 0 51 -3,-0.3 4,-1.6 1,-0.2 3,-0.3 0.742 108.7 58.8 -82.7 -25.0 -10.1 58.6 3.2 69 70 A R H > S+ 0 0 138 1,-0.2 4,-1.4 -4,-0.2 -1,-0.2 0.639 101.2 54.2 -77.5 -17.2 -10.3 55.6 0.9 70 71 A R H 4 S+ 0 0 79 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.609 104.2 55.4 -89.2 -15.8 -13.3 57.2 -0.8 71 72 A V H >> S+ 0 0 29 -4,-0.3 3,-1.5 -3,-0.3 4,-1.2 0.912 106.7 51.6 -76.6 -46.3 -11.2 60.2 -1.4 72 73 A K H >X S+ 0 0 118 -4,-1.6 4,-1.7 1,-0.3 3,-0.9 0.929 104.4 54.1 -53.4 -54.6 -8.7 58.0 -3.1 73 74 A K H 3< S+ 0 0 87 -4,-1.4 4,-0.4 1,-0.2 -1,-0.3 0.520 102.9 60.7 -62.2 -5.4 -11.2 56.4 -5.5 74 75 A L H <4>S+ 0 0 2 -3,-1.5 5,-2.6 2,-0.2 6,-0.5 0.837 102.6 48.5 -88.0 -39.1 -12.3 59.9 -6.6 75 76 A L H X<5S+ 0 0 70 -4,-1.2 3,-1.4 -3,-0.9 -2,-0.2 0.908 110.0 52.7 -64.7 -43.3 -8.8 60.7 -8.0 76 77 A N T 3<5S+ 0 0 145 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 111.8 45.6 -63.4 -28.4 -8.7 57.4 -9.8 77 78 A A T 3 5S- 0 0 33 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.319 116.9-119.7 -95.5 4.7 -12.1 58.2 -11.4 78 79 A E T < 5S+ 0 0 118 -3,-1.4 13,-0.3 2,-0.1 14,-0.3 0.907 77.3 121.1 57.5 52.4 -10.8 61.7 -12.1 79 80 A L < + 0 0 2 -5,-2.6 10,-1.0 1,-0.2 2,-0.4 0.470 62.3 56.1-118.4 -9.8 -13.3 63.7 -10.1 80 81 A V E -A 88 0A 11 -6,-0.5 2,-0.4 8,-0.2 8,-0.2 -0.986 60.5-169.0-129.8 121.9 -11.1 65.5 -7.6 81 82 A K E A 87 0A 115 6,-2.9 6,-3.5 -2,-0.4 -6,-0.0 -0.936 360.0 360.0-108.5 133.9 -8.3 67.8 -8.7 82 83 A L 0 0 121 -2,-0.4 4,-0.2 4,-0.2 -1,-0.1 0.230 360.0 360.0 -77.9 360.0 -5.9 69.0 -6.0 83 ! 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 84 95 A K 0 0 174 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 162.1 -3.0 71.8 -0.3 85 96 A I - 0 0 80 -33,-0.0 2,-0.3 2,-0.0 -33,-0.1 -0.720 360.0-141.8-126.6 172.8 -6.5 72.1 -1.8 86 97 A I + 0 0 14 -4,-0.2 -35,-0.5 -2,-0.2 2,-0.3 -0.925 26.5 164.4-144.1 116.5 -9.3 69.9 -3.2 87 98 A K E -A 81 0A 93 -6,-3.5 -6,-2.9 -2,-0.3 2,-0.2 -0.796 39.9 -98.0-126.0 167.5 -11.5 70.9 -6.2 88 99 A L E -A 80 0A 18 -42,-0.3 -8,-0.2 -2,-0.3 2,-0.1 -0.553 38.0-132.4 -83.2 151.3 -13.8 69.2 -8.6 89 100 A S > - 0 0 2 -10,-1.0 4,-4.1 -2,-0.2 5,-0.4 -0.419 35.0 -92.1 -94.8 176.7 -12.4 68.3 -12.0 90 101 A N H > S+ 0 0 132 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.909 137.2 45.6 -52.0 -42.1 -14.1 69.1 -15.4 91 102 A K H > S+ 0 0 99 -13,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.877 115.0 47.6 -66.1 -41.6 -15.6 65.6 -14.9 92 103 A G H > S+ 0 0 0 -14,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.870 114.6 43.5 -69.5 -41.6 -16.4 66.4 -11.3 93 104 A K H X S+ 0 0 103 -4,-4.1 4,-2.0 2,-0.2 -2,-0.2 0.829 111.6 56.1 -72.7 -34.7 -18.0 69.8 -12.0 94 105 A K H X S+ 0 0 121 -4,-2.1 4,-2.2 -5,-0.4 5,-0.2 0.940 107.7 47.7 -63.5 -45.8 -19.9 68.3 -14.9 95 106 A Y H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.950 111.7 49.6 -58.3 -51.9 -21.4 65.6 -12.7 96 107 A I H X S+ 0 0 14 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.815 108.7 54.0 -58.3 -33.8 -22.5 68.2 -10.1 97 108 A K H X S+ 0 0 156 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.935 111.8 43.5 -66.7 -47.8 -24.0 70.4 -12.8 98 109 A E H X S+ 0 0 79 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.890 112.5 53.8 -63.6 -39.9 -26.1 67.5 -14.0 99 110 A R H X S+ 0 0 12 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.911 109.8 47.4 -60.6 -44.6 -26.9 66.6 -10.5 100 111 A K H X S+ 0 0 18 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.868 108.3 56.2 -63.6 -40.9 -28.1 70.1 -9.8 101 112 A A H X S+ 0 0 36 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.981 110.1 43.3 -55.4 -60.3 -30.2 70.2 -12.9 102 113 A I H X S+ 0 0 52 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.930 115.7 48.3 -50.6 -53.6 -32.2 67.1 -11.9 103 114 A M H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.910 114.1 46.4 -57.3 -45.5 -32.6 68.2 -8.3 104 115 A S H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.892 106.3 57.1 -66.4 -42.2 -33.8 71.7 -9.3 105 116 A H H X S+ 0 0 125 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.940 116.3 37.3 -52.5 -49.3 -36.2 70.5 -12.0 106 117 A I H X S+ 0 0 26 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.844 113.5 54.6 -71.7 -39.2 -38.0 68.4 -9.3 107 118 A A H < S+ 0 0 33 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.834 111.5 48.8 -65.2 -29.5 -37.6 70.9 -6.5 108 119 A S H >X S+ 0 0 56 -4,-2.5 4,-2.5 -5,-0.2 3,-1.4 0.928 110.0 49.0 -74.5 -47.3 -39.3 73.4 -8.8 109 120 A D H 3< S+ 0 0 86 -4,-2.0 4,-0.3 1,-0.3 -2,-0.2 0.905 111.9 48.5 -59.5 -44.3 -42.2 71.2 -9.8 110 121 A M T 3< S+ 0 0 13 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.469 124.6 32.5 -74.1 0.2 -43.0 70.3 -6.2 111 122 A T T X4 S+ 0 0 46 -3,-1.4 3,-1.8 -5,-0.1 -2,-0.2 0.607 81.4 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44.7 0.7 203 66 B A H 3> S+ 0 0 60 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.734 98.6 58.6 -79.1 -24.6 -32.0 42.5 2.0 204 67 B A H <> S+ 0 0 22 -3,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.810 110.9 45.4 -72.4 -25.5 -30.0 45.4 3.5 205 68 B V H X S+ 0 0 5 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.904 109.5 51.9 -80.9 -44.7 -33.1 46.0 5.6 206 69 B S H X S+ 0 0 22 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.858 107.1 56.8 -59.1 -34.6 -33.6 42.3 6.5 207 70 B R H X S+ 0 0 128 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.940 109.1 43.7 -61.7 -49.9 -30.0 42.4 7.6 208 71 B R H X S+ 0 0 41 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.899 115.0 49.7 -61.4 -43.9 -30.6 45.3 10.0 209 72 B V H X S+ 0 0 3 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.863 108.9 51.9 -64.5 -40.0 -33.8 43.6 11.3 210 73 B K H X S+ 0 0 143 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.932 110.8 47.3 -64.9 -43.8 -32.1 40.3 11.8 211 74 B K H X S+ 0 0 104 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.876 110.5 54.3 -64.2 -34.1 -29.4 41.9 13.9 212 75 B L H <>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 6,-0.9 0.805 109.0 47.0 -69.0 -29.4 -32.1 43.8 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