==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 20-JUL-07 2QOP . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR ACRR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR M.LI,R.GU,C.-C.SU,G.MCDERMOTT,E.W.YU . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 73.3 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 . 2 1.0 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 . 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 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 1 0 0 3 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 1 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 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 7 A Q > 0 0 170 0, 0.0 4,-0.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -24.7 30.5 58.7 36.7 2 8 A E H > + 0 0 126 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.586 360.0 68.0 -81.4 -12.2 27.2 60.3 37.8 3 9 A A H > S+ 0 0 49 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.849 104.6 41.6 -72.3 -37.4 26.7 61.6 34.3 4 10 A Q H > S+ 0 0 132 2,-0.2 4,-1.2 -3,-0.2 -2,-0.2 0.725 109.4 61.0 -78.2 -25.6 26.2 58.1 33.0 5 11 A E H X S+ 0 0 138 -4,-0.8 4,-0.6 1,-0.2 -2,-0.2 0.878 108.5 42.2 -65.6 -40.8 24.2 57.3 36.1 6 12 A T H X S+ 0 0 63 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.713 102.8 71.2 -77.1 -23.3 21.6 60.0 35.0 7 13 A R H X S+ 0 0 76 -4,-0.7 4,-1.1 1,-0.2 3,-0.2 0.893 102.1 41.2 -61.4 -44.3 21.8 58.8 31.4 8 14 A Q H X S+ 0 0 75 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.726 107.9 63.1 -75.4 -23.1 19.9 55.6 32.2 9 15 A H H X S+ 0 0 71 -4,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.787 100.5 52.5 -70.9 -29.4 17.6 57.6 34.4 10 16 A I H X S+ 0 0 3 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.898 108.6 50.8 -66.5 -43.0 16.5 59.5 31.3 11 17 A L H X S+ 0 0 10 -4,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.821 113.2 45.6 -63.6 -34.4 15.8 56.1 29.6 12 18 A D H X S+ 0 0 31 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.872 116.2 44.5 -75.4 -40.7 13.7 55.0 32.6 13 19 A V H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.878 113.4 49.9 -72.6 -40.9 11.8 58.3 32.9 14 20 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.947 111.3 48.2 -61.8 -50.0 11.1 58.6 29.2 15 21 A L H < S+ 0 0 4 -4,-1.4 -1,-0.2 -5,-0.2 4,-0.2 0.759 113.5 50.3 -61.9 -27.0 9.8 55.0 29.0 16 22 A R H >X S+ 0 0 129 -4,-0.9 4,-0.9 2,-0.1 3,-0.7 0.906 114.1 42.3 -75.1 -45.9 7.7 55.9 32.0 17 23 A L H 3X S+ 0 0 31 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.790 105.7 62.5 -73.7 -30.7 6.3 59.1 30.5 18 24 A F H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.594 104.3 51.2 -70.6 -11.2 5.7 57.6 27.0 19 25 A S H <4 S+ 0 0 8 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.792 111.2 43.6 -93.5 -35.3 3.2 55.1 28.6 20 26 A Q H < S+ 0 0 134 -4,-0.9 -2,-0.2 2,-0.1 -3,-0.1 0.913 137.4 7.8 -75.8 -46.1 1.0 57.6 30.5 21 27 A Q S X S- 0 0 85 -4,-1.9 4,-0.6 1,-0.3 -3,-0.2 0.267 103.6-122.9-124.8 8.5 0.7 60.3 27.8 22 28 A G T 4 - 0 0 11 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.187 27.0 -83.2 81.2-173.0 2.3 58.7 24.7 23 29 A V T >4 S+ 0 0 4 87,-0.2 3,-1.0 -5,-0.1 -1,-0.1 0.667 115.8 67.7-103.8 -26.3 5.1 59.9 22.4 24 30 A S T 34 S+ 0 0 87 1,-0.2 -2,-0.1 -6,-0.1 -1,-0.1 0.846 110.3 33.0 -64.2 -38.3 3.1 62.2 20.2 25 31 A S T 3< S+ 0 0 67 -4,-0.6 2,-0.4 1,-0.1 -1,-0.2 0.059 104.8 84.7-109.3 23.0 2.4 64.8 22.9 26 32 A T < - 0 0 1 -3,-1.0 2,-0.1 -8,-0.0 -1,-0.1 -0.917 56.5-174.0-132.0 106.2 5.7 64.3 24.9 27 33 A S >> - 0 0 53 -2,-0.4 4,-1.0 1,-0.1 3,-0.7 -0.321 43.3 -98.8 -88.5 174.7 8.8 66.3 23.8 28 34 A L H 3> S+ 0 0 5 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.727 122.3 61.8 -66.4 -23.8 12.4 66.0 25.2 29 35 A G H 3> S+ 0 0 20 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.782 100.2 52.8 -71.1 -30.2 11.7 69.1 27.3 30 36 A E H <4 S+ 0 0 76 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.788 109.5 48.8 -74.2 -30.6 8.9 67.2 29.2 31 37 A I H >X S+ 0 0 0 -4,-1.0 4,-1.0 1,-0.1 3,-0.8 0.788 104.2 64.1 -75.1 -30.4 11.4 64.4 29.9 32 38 A A H >X>S+ 0 0 3 -4,-1.3 5,-1.8 1,-0.3 2,-1.6 0.973 103.9 41.3 -59.3 -63.0 13.9 67.0 31.1 33 39 A K H 3<5S+ 0 0 195 -4,-1.3 -1,-0.3 1,-0.2 5,-0.1 -0.399 111.1 60.7 -85.1 58.9 12.0 68.3 34.1 34 40 A A H <45S+ 0 0 51 -2,-1.6 -1,-0.2 -3,-0.8 -2,-0.2 0.319 105.6 40.9-150.0 -28.5 10.8 64.8 35.1 35 41 A A H <<5S- 0 0 19 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.1 0.491 120.8-103.3 -97.1 -11.2 14.2 63.1 35.7 36 42 A G T <5S+ 0 0 73 -4,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.910 80.5 116.6 86.2 53.2 15.5 66.2 37.5 37 43 A V < - 0 0 38 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.962 64.2-100.0-147.2 159.0 17.7 67.6 34.7 38 44 A T >> - 0 0 98 -2,-0.3 4,-1.0 1,-0.1 3,-0.7 -0.415 28.1-122.8 -77.7 157.5 18.1 70.7 32.5 39 45 A R H 3> S+ 0 0 165 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.727 112.1 61.7 -72.0 -23.4 17.0 70.7 28.8 40 46 A G H 34 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.2 4,-0.0 0.697 106.6 45.4 -72.8 -20.9 20.5 71.6 27.8 41 47 A A H <> S+ 0 0 29 -3,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.681 104.3 60.1 -95.2 -23.6 21.8 68.3 29.3 42 48 A I H X S+ 0 0 0 -4,-1.0 4,-1.5 1,-0.2 -2,-0.2 0.772 105.3 49.2 -76.4 -27.1 19.1 66.0 27.8 43 49 A Y H < S+ 0 0 117 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.544 103.1 64.0 -85.1 -10.4 20.1 67.0 24.3 44 50 A W H 4 S+ 0 0 215 -3,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.864 109.6 36.9 -75.7 -41.0 23.8 66.3 25.3 45 51 A H H < S+ 0 0 31 -4,-1.1 2,-0.3 1,-0.2 -2,-0.2 0.897 126.9 30.9 -77.0 -44.5 23.0 62.6 25.8 46 52 A F < - 0 0 2 -4,-1.5 -1,-0.2 1,-0.1 6,-0.1 -0.919 63.0-147.6-124.3 145.3 20.5 62.1 23.0 47 53 A K - 0 0 160 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.961 68.8 -42.0 -74.1 -55.2 20.2 63.7 19.5 48 54 A D S > S- 0 0 61 -20,-0.0 4,-1.4 0, 0.0 5,-0.1 -0.632 79.0 -55.2-150.8-154.7 16.4 63.7 19.0 49 55 A K H > S+ 0 0 65 -2,-0.2 4,-1.3 2,-0.2 5,-0.1 0.885 131.2 44.3 -67.4 -42.5 13.2 61.7 19.4 50 56 A S H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.842 111.2 52.9 -73.2 -36.4 14.5 58.7 17.3 51 57 A D H > S+ 0 0 54 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.831 110.4 47.9 -69.5 -34.9 17.9 58.7 19.1 52 58 A L H < S+ 0 0 3 -4,-1.4 4,-0.3 2,-0.2 -1,-0.2 0.847 115.8 45.1 -69.8 -36.8 16.3 58.5 22.5 53 59 A F H < S+ 0 0 4 -4,-1.3 4,-0.4 1,-0.2 3,-0.4 0.773 111.2 52.0 -79.8 -29.2 14.0 55.7 21.3 54 60 A S H X S+ 0 0 43 -4,-2.1 4,-0.5 1,-0.2 3,-0.5 0.739 99.6 63.7 -78.4 -24.9 16.7 53.8 19.6 55 61 A E H X S+ 0 0 51 -4,-1.0 4,-0.9 1,-0.2 5,-0.4 0.653 88.5 71.9 -73.3 -16.9 19.0 53.8 22.7 56 62 A I H >>S+ 0 0 4 -3,-0.4 5,-2.4 -4,-0.3 4,-0.8 0.897 97.8 47.0 -63.7 -42.9 16.3 51.8 24.5 57 63 A W H 45S+ 0 0 28 -3,-0.5 -1,-0.2 -4,-0.4 6,-0.2 0.694 104.8 63.4 -71.8 -20.6 17.1 48.6 22.5 58 64 A E H <5S+ 0 0 144 -4,-0.5 -1,-0.2 -3,-0.1 -2,-0.2 0.789 124.7 3.1 -77.0 -30.3 20.9 49.1 23.1 59 65 A L H <5S+ 0 0 109 -4,-0.9 -2,-0.1 -3,-0.4 -3,-0.1 0.730 135.4 34.0-122.3 -56.9 20.8 48.7 26.9 60 66 A S T <5S+ 0 0 24 -4,-0.8 -3,-0.2 -5,-0.4 -4,-0.1 0.921 116.7 45.0 -76.4 -47.1 17.4 47.8 28.4 61 67 A E S + 0 0 90 -2,-0.5 4,-1.8 -6,-0.2 -1,-0.2 0.371 37.7 111.5 58.9 -4.7 19.5 41.0 26.4 64 70 A I H > S+ 0 0 63 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.781 72.8 54.4 -69.4 -29.7 18.3 37.7 24.7 65 71 A G H > S+ 0 0 35 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.842 111.0 45.4 -69.6 -36.4 21.8 36.8 23.7 66 72 A E H > S+ 0 0 127 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.789 108.2 57.7 -74.3 -31.3 22.9 37.2 27.3 67 73 A L H X S+ 0 0 7 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.789 102.0 56.1 -66.9 -30.4 19.8 35.2 28.3 68 74 A E H X S+ 0 0 65 -4,-1.2 4,-2.5 2,-0.2 5,-0.3 0.936 105.5 50.0 -64.0 -48.2 21.2 32.4 26.1 69 75 A L H X S+ 0 0 109 -4,-1.3 4,-0.7 1,-0.2 -2,-0.2 0.782 111.0 52.0 -59.5 -30.2 24.5 32.4 28.0 70 76 A E H X S+ 0 0 96 -4,-1.2 4,-0.8 2,-0.1 -2,-0.2 0.937 117.7 33.4 -72.0 -49.7 22.4 32.2 31.3 71 77 A Y H X S+ 0 0 21 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.671 111.4 61.5 -86.5 -19.7 20.2 29.2 30.4 72 78 A Q H < S+ 0 0 86 -4,-2.5 -1,-0.2 2,-0.2 -3,-0.2 0.795 106.3 48.2 -73.1 -30.2 22.8 27.3 28.2 73 79 A A H < S+ 0 0 80 -4,-0.7 -2,-0.2 -5,-0.3 -1,-0.2 0.797 114.2 46.7 -74.5 -32.4 25.0 27.1 31.4 74 80 A K H < S+ 0 0 126 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.807 122.4 36.7 -76.1 -33.4 21.9 25.9 33.3 75 81 A F S >< S- 0 0 61 -4,-1.9 3,-0.9 3,-0.1 2,-0.4 -0.809 77.6-168.6-125.0 89.0 21.1 23.4 30.5 76 82 A P T 3 S+ 0 0 108 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.652 75.8 5.5 -80.0 128.5 24.2 21.8 28.9 77 83 A G T 3 S+ 0 0 77 -2,-0.4 -5,-0.0 -5,-0.1 0, 0.0 0.728 105.0 105.6 74.1 25.0 23.5 19.9 25.7 78 84 A D <> + 0 0 46 -3,-0.9 4,-1.1 -6,-0.2 3,-0.2 -0.709 32.7 165.3-139.4 83.4 19.8 20.9 25.6 79 85 A P H > S+ 0 0 11 0, 0.0 4,-2.0 0, 0.0 63,-0.1 0.768 77.4 59.5 -68.3 -28.1 18.9 23.5 23.0 80 86 A L H > S+ 0 0 19 2,-0.2 4,-1.3 1,-0.2 62,-0.1 0.848 105.3 47.4 -72.3 -36.3 15.2 22.9 23.2 81 87 A S H > S+ 0 0 14 2,-0.2 4,-3.1 -3,-0.2 -1,-0.2 0.798 110.3 53.1 -73.1 -31.6 15.1 23.8 26.9 82 88 A V H X S+ 0 0 8 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.907 110.0 47.6 -66.9 -43.6 17.1 27.0 26.3 83 89 A L H X S+ 0 0 9 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.820 115.7 47.6 -62.6 -32.9 14.6 27.9 23.6 84 90 A R H X S+ 0 0 60 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.928 110.9 47.9 -73.2 -49.0 11.9 27.1 26.2 85 91 A E H X S+ 0 0 20 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.788 108.1 54.5 -68.7 -32.0 13.4 29.1 29.1 86 92 A I H X S+ 0 0 24 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.902 110.2 47.3 -65.2 -41.6 14.1 32.2 27.1 87 93 A L H X S+ 0 0 9 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.801 109.6 52.7 -71.6 -31.6 10.4 32.3 26.0 88 94 A I H X S+ 0 0 5 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.896 111.3 47.9 -65.7 -41.7 9.2 31.8 29.6 89 95 A H H X S+ 0 0 41 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.851 109.2 53.4 -66.6 -37.7 11.4 34.7 30.6 90 96 A V H X S+ 0 0 26 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.919 112.3 43.4 -64.1 -46.1 10.0 36.9 27.8 91 97 A L H < S+ 0 0 0 -4,-1.9 4,-0.2 1,-0.2 -2,-0.2 0.853 117.7 45.5 -67.7 -37.6 6.4 36.3 28.9 92 98 A E H >X S+ 0 0 65 -4,-1.9 4,-2.4 1,-0.2 3,-0.9 0.855 109.6 53.4 -75.7 -37.6 7.1 36.7 32.6 93 99 A S H 3X S+ 0 0 3 -4,-2.4 4,-1.2 1,-0.2 7,-0.3 0.839 100.8 60.0 -67.5 -35.1 9.3 39.9 32.2 94 100 A T H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.627 114.4 39.5 -67.1 -13.0 6.5 41.7 30.2 95 101 A V H <4 S+ 0 0 18 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.2 0.860 130.6 18.5 -98.3 -54.0 4.4 41.2 33.4 96 102 A T H < S+ 0 0 84 -4,-2.4 2,-0.3 5,-0.0 -3,-0.2 0.775 104.4 81.3 -99.2 -30.8 6.6 41.8 36.4 97 103 A E X - 0 0 81 -4,-1.2 4,-1.5 -5,-0.4 5,-0.2 -0.630 63.9-150.4 -81.0 135.7 9.7 43.7 35.0 98 104 A E H > S+ 0 0 118 -2,-0.3 4,-2.4 2,-0.2 5,-0.3 0.909 95.0 47.3 -71.7 -45.9 9.2 47.5 34.6 99 105 A R H > S+ 0 0 99 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.706 117.4 45.0 -70.0 -20.9 11.6 48.1 31.7 100 106 A R H > S+ 0 0 24 -7,-0.3 4,-0.9 2,-0.1 -1,-0.2 0.737 115.5 45.7 -92.3 -29.3 10.1 45.1 29.9 101 107 A R H X S+ 0 0 68 -4,-1.5 4,-1.0 -8,-0.3 -2,-0.2 0.921 114.6 45.2 -77.1 -49.0 6.5 46.0 30.5 102 108 A L H X S+ 0 0 30 -4,-2.4 4,-0.9 1,-0.2 -3,-0.1 0.814 108.7 56.8 -68.8 -33.8 6.7 49.7 29.6 103 109 A L H >X S+ 0 0 0 -4,-0.5 4,-1.3 -5,-0.3 3,-0.9 0.947 110.4 41.8 -63.3 -51.8 8.7 49.2 26.4 104 110 A M H 3X S+ 0 0 34 -4,-0.9 4,-1.6 1,-0.2 5,-0.2 0.690 105.9 66.0 -71.3 -19.2 6.2 46.8 24.8 105 111 A E H 3X>S+ 0 0 32 -4,-1.0 5,-2.2 2,-0.2 4,-1.0 0.797 102.9 49.4 -67.2 -30.0 3.4 49.0 26.0 106 112 A I H <<5S+ 0 0 0 -4,-0.9 -2,-0.2 -3,-0.9 3,-0.2 0.990 111.9 42.2 -71.4 -64.7 4.8 51.7 23.7 107 113 A I H <5S+ 0 0 29 -4,-1.3 4,-0.2 1,-0.2 -2,-0.2 0.889 122.4 38.7 -51.8 -50.2 5.1 49.8 20.4 108 114 A F H <5S- 0 0 69 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.792 140.7 -2.9 -75.3 -30.2 1.8 47.9 20.7 109 115 A H T <5S+ 0 0 55 -4,-1.0 2,-0.6 -5,-0.2 -3,-0.2 0.705 125.6 48.9-129.2 -51.4 -0.3 50.7 22.1 110 116 A K S S- 0 0 50 2,-0.1 3,-1.1 3,-0.1 4,-0.2 0.842 135.7 -7.1 -88.2-100.1 6.5 60.9 11.0 116 122 A E T >> S+ 0 0 129 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.605 130.0 68.2 -74.1 -13.1 9.9 60.6 12.7 117 123 A M H 3> S+ 0 0 4 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.434 84.5 70.4 -86.2 -2.1 8.6 57.4 14.4 118 124 A A H <> S+ 0 0 30 -3,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.662 89.8 62.6 -82.7 -20.4 8.6 55.7 11.0 119 125 A V H <> S+ 0 0 82 -3,-0.6 4,-1.0 -4,-0.2 -2,-0.2 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