==== 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 REGULATOR 26-JUL-07 2QQA . COMPND 2 MOLECULE: DIPHTHERIA TOXIN REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR J.A.D'AQUINO,J.R.LATTIMER,A.DENNINGER,K.E.D'AQUINO,D.RINGE . 218 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 69.7 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 . 33 15.1 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 10 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.2 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 3 0 0 1 2 0 1 0 0 1 1 0 0 0 0 0 0 0 0 1 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 1 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 3 A D 0 0 189 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.7 23.9 -7.7 32.5 2 4 A L - 0 0 27 1,-0.2 2,-2.2 30,-0.0 6,-0.1 0.646 360.0-158.9 -74.0 -17.5 24.1 -5.3 29.4 3 5 A V S S+ 0 0 83 4,-0.1 2,-0.4 5,-0.0 -1,-0.2 -0.422 81.3 22.3 71.3 -64.9 25.0 -2.3 31.7 4 6 A D S > S- 0 0 67 -2,-2.2 4,-1.8 1,-0.1 5,-0.1 -0.917 74.7-171.8-126.1 105.9 23.9 0.3 29.1 5 7 A T H > S+ 0 0 55 -2,-0.4 4,-2.4 2,-0.2 3,-0.2 0.954 83.0 50.7 -68.9 -45.7 21.6 -1.4 26.7 6 8 A T H > S+ 0 0 13 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.903 111.5 48.3 -55.4 -47.3 21.4 1.5 24.2 7 9 A A H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.830 109.3 54.5 -66.0 -35.2 25.2 1.8 24.1 8 10 A M H X S+ 0 0 2 -4,-1.8 4,-2.1 -3,-0.2 -2,-0.2 0.889 106.3 50.3 -65.9 -43.8 25.4 -2.0 23.5 9 11 A Y H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 112.9 47.9 -55.6 -44.7 23.1 -1.9 20.6 10 12 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.905 110.9 49.1 -63.3 -44.8 25.3 0.9 19.1 11 13 A R H X S+ 0 0 8 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.840 111.9 49.9 -61.2 -37.3 28.5 -0.9 19.7 12 14 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.898 109.4 50.3 -70.2 -43.9 27.1 -4.0 18.1 13 15 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.959 111.5 51.3 -50.7 -52.7 25.9 -2.0 15.0 14 16 A Y H X S+ 0 0 18 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.907 111.2 45.1 -50.2 -48.1 29.4 -0.6 14.8 15 17 A E H X S+ 0 0 26 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.918 110.5 53.5 -79.5 -31.8 31.1 -3.9 14.9 16 18 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-0.5 0.961 110.9 47.5 -60.0 -47.4 28.7 -5.5 12.3 17 19 A E H ><5S+ 0 0 30 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.892 108.9 55.1 -60.1 -39.8 29.5 -2.6 9.9 18 20 A E H 3<5S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 108.5 47.6 -57.2 -38.1 33.2 -3.1 10.6 19 21 A E T 3<5S- 0 0 85 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.387 118.3-114.3 -84.4 -1.1 32.9 -6.7 9.6 20 22 A G T < 5S+ 0 0 21 -3,-1.2 2,-0.4 -4,-0.3 180,-0.3 0.731 71.0 137.7 68.8 24.9 30.9 -5.7 6.4 21 23 A V < - 0 0 31 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.829 63.5-108.1 -95.5 136.3 27.7 -7.4 7.6 22 24 A T - 0 0 55 -2,-0.4 2,-1.2 1,-0.1 5,-0.1 -0.465 33.1-120.4 -64.4 122.7 24.5 -5.5 7.1 23 25 A P + 0 0 10 0, 0.0 37,-2.9 0, 0.0 2,-0.3 -0.586 49.5 163.8 -71.4 97.6 23.3 -4.2 10.5 24 26 A L B >> -A 59 0A 63 -2,-1.2 4,-1.6 35,-0.2 3,-0.6 -0.851 49.5-114.3-115.9 154.5 19.9 -5.9 10.7 25 27 A R H 3> S+ 0 0 61 33,-0.5 4,-2.2 -2,-0.3 5,-0.1 0.826 114.4 54.8 -59.1 -35.5 17.8 -6.4 13.8 26 28 A A H 3> S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 106.7 51.7 -71.7 -31.9 18.1 -10.2 13.7 27 29 A R H <> S+ 0 0 98 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.874 111.0 47.1 -69.2 -37.9 22.0 -10.0 13.7 28 30 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 6,-0.2 0.906 111.9 51.5 -62.9 -42.9 21.9 -7.7 16.7 29 31 A A H <>S+ 0 0 10 -4,-2.2 5,-2.5 1,-0.2 4,-0.4 0.929 112.7 45.9 -61.2 -49.2 19.5 -10.0 18.4 30 32 A E H ><5S+ 0 0 140 -4,-2.2 3,-0.8 3,-0.2 -1,-0.2 0.926 113.3 48.0 -58.4 -49.2 21.7 -13.0 17.8 31 33 A R H 3<5S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.849 118.7 38.4 -64.6 -37.1 24.9 -11.2 18.9 32 34 A L T 3<5S- 0 0 17 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.314 107.3-122.1 -94.3 1.9 23.5 -9.9 22.2 33 35 A E T < 5 + 0 0 178 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.937 66.8 139.4 50.5 48.9 21.5 -13.0 22.8 34 36 A Q < - 0 0 61 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.874 58.5 -97.8-115.4 156.3 18.4 -10.9 22.9 35 37 A S > - 0 0 54 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.378 26.7-123.2 -68.0 148.1 14.9 -11.8 21.5 36 38 A G H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 114.1 49.4 -53.8 -48.8 14.0 -10.3 18.1 37 39 A P H > S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.885 110.6 50.2 -61.2 -40.9 10.9 -8.7 19.6 38 40 A T H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.921 111.4 48.8 -62.9 -46.2 12.9 -7.2 22.4 39 41 A V H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.920 109.6 52.4 -56.2 -42.6 15.4 -5.8 19.9 40 42 A S H X S+ 0 0 52 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.922 111.6 46.5 -67.5 -39.4 12.6 -4.4 17.8 41 43 A Q H X S+ 0 0 144 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.916 114.1 46.4 -67.7 -43.8 11.2 -2.6 20.9 42 44 A T H X S+ 0 0 25 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.893 110.6 54.0 -64.3 -41.2 14.6 -1.3 21.9 43 45 A V H X S+ 0 0 1 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.931 105.4 53.9 -54.8 -44.2 15.3 -0.2 18.3 44 46 A A H X S+ 0 0 49 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.891 109.9 47.8 -56.5 -41.3 12.0 1.8 18.4 45 47 A R H X S+ 0 0 115 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.797 107.8 53.7 -69.7 -35.1 13.2 3.6 21.5 46 48 A M H <>S+ 0 0 1 -4,-1.9 5,-2.6 2,-0.2 6,-0.5 0.847 108.9 51.0 -64.9 -35.8 16.6 4.3 20.0 47 49 A E H ><5S+ 0 0 86 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.943 109.3 48.9 -65.2 -50.3 14.7 5.9 17.1 48 50 A R H 3<5S+ 0 0 190 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.773 111.1 53.6 -54.3 -33.6 12.6 8.0 19.5 49 51 A D T 3<5S- 0 0 70 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.458 116.2-114.2 -84.3 -7.7 16.0 8.9 21.1 50 52 A G T < 5S+ 0 0 36 -3,-1.4 16,-0.4 -4,-0.3 15,-0.3 0.641 85.4 109.8 91.0 15.4 17.6 10.1 17.9 51 53 A L S - 0 0 16 4,-3.0 3,-2.5 -2,-0.7 -1,-0.0 -0.170 27.0 -99.4 -71.5 166.9 15.7 2.2 6.6 56 58 A S T 3 S+ 0 0 128 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.849 127.6 51.4 -58.1 -31.3 12.8 1.1 4.3 57 59 A D T 3 S- 0 0 107 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.172 122.4-109.3 -87.4 10.2 14.8 -2.2 3.6 58 60 A R S < S+ 0 0 159 -3,-2.5 -33,-0.5 1,-0.3 -2,-0.1 0.320 72.8 134.7 86.3 1.9 15.1 -2.7 7.4 59 61 A S B -A 24 0A 11 -35,-0.1 -4,-3.0 -5,-0.1 2,-0.4 -0.485 59.0-114.3 -76.1 148.3 18.9 -2.1 7.9 60 62 A L E -B 54 0B 4 -37,-2.9 2,-0.6 -6,-0.2 -6,-0.2 -0.757 26.3-165.2 -85.9 129.9 19.8 0.1 10.8 61 63 A Q E -B 53 0B 99 -8,-2.6 -8,-2.0 -2,-0.4 2,-0.2 -0.970 17.6-137.2-115.8 114.5 21.4 3.5 9.9 62 64 A M E -B 52 0B 8 -2,-0.6 -10,-0.3 -10,-0.2 -11,-0.1 -0.587 20.0-125.2 -69.7 136.6 23.1 5.2 12.8 63 65 A T > - 0 0 31 -12,-1.8 4,-3.0 -2,-0.2 5,-0.2 -0.391 33.1-101.5 -69.0 159.8 22.3 8.9 12.9 64 66 A P H > S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.890 128.7 49.5 -50.6 -36.3 25.5 11.1 13.0 65 67 A T H > S+ 0 0 97 -15,-0.3 4,-2.0 2,-0.2 5,-0.2 0.914 110.5 48.1 -69.0 -43.5 24.8 11.4 16.7 66 68 A G H > S+ 0 0 0 -16,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.915 113.0 50.1 -57.8 -44.6 24.3 7.7 17.2 67 69 A R H X S+ 0 0 26 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.880 107.1 52.3 -64.4 -45.6 27.5 7.1 15.2 68 70 A T H X S+ 0 0 73 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.906 114.1 44.0 -55.6 -44.3 29.5 9.5 17.3 69 71 A L H X S+ 0 0 67 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.936 111.9 52.4 -67.0 -46.3 28.3 7.7 20.5 70 72 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.904 110.7 49.0 -57.0 -40.4 29.0 4.3 19.0 71 73 A T H X S+ 0 0 27 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.920 110.6 49.4 -67.5 -46.4 32.5 5.4 18.2 72 74 A A H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.885 111.9 49.1 -51.7 -46.9 33.0 6.8 21.7 73 75 A V H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.925 112.6 48.2 -64.3 -43.5 31.8 3.4 23.2 74 76 A M H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.892 110.2 51.0 -64.7 -42.5 34.1 1.5 20.8 75 77 A R H X S+ 0 0 12 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.929 112.7 45.6 -60.3 -47.2 37.1 3.6 21.7 76 78 A K H X S+ 0 0 24 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.886 112.7 53.1 -60.7 -41.4 36.5 3.1 25.4 77 79 A H H X S+ 0 0 3 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.940 112.5 41.6 -61.5 -45.9 36.0 -0.6 24.8 78 80 A R H X S+ 0 0 7 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.808 113.8 51.6 -71.2 -36.4 39.2 -1.1 23.0 79 81 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.873 109.5 51.4 -70.8 -35.1 41.3 1.1 25.3 80 82 A A H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.918 108.6 51.5 -63.6 -45.8 39.9 -0.9 28.3 81 83 A E H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.928 110.8 47.4 -56.2 -44.9 40.9 -4.1 26.5 82 84 A R H X S+ 0 0 28 -4,-1.8 4,-4.0 2,-0.2 5,-0.5 0.927 113.7 48.7 -60.0 -48.2 44.5 -2.8 26.0 83 85 A L H X>S+ 0 0 28 -4,-2.6 5,-2.3 2,-0.2 4,-1.8 0.943 113.0 46.9 -54.0 -52.7 44.6 -1.7 29.6 84 86 A L H <>S+ 0 0 3 -4,-3.3 6,-2.3 3,-0.2 5,-1.0 0.893 123.0 35.0 -63.1 -37.8 43.4 -5.0 30.9 85 87 A T H <5S+ 0 0 40 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.933 124.7 36.9 -80.2 -48.6 45.8 -6.9 28.7 86 88 A D H <5S+ 0 0 56 -4,-4.0 -3,-0.2 -5,-0.2 -2,-0.2 0.868 133.7 14.6 -76.7 -39.2 48.9 -4.7 28.7 87 89 A I T <5S+ 0 0 89 -4,-1.8 -3,-0.2 -5,-0.5 -4,-0.1 0.831 129.5 41.4-105.5 -53.6 48.9 -3.3 32.2 88 90 A I T - 0 0 94 1,-0.1 3,-2.5 3,-0.1 4,-0.5 -0.331 35.7-123.5 -57.5 131.9 43.8 -13.5 31.3 92 94 A I G >> S+ 0 0 76 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.663 106.2 63.4 -52.5 -28.9 43.0 -13.0 27.6 93 95 A N G 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.649 110.0 41.1 -71.2 -17.4 39.9 -15.1 27.6 94 96 A K G <> S+ 0 0 129 -3,-2.5 4,-2.0 2,-0.1 -1,-0.2 0.488 91.3 89.1-103.1 -9.0 38.3 -12.7 30.1 95 97 A V H <> S+ 0 0 0 -3,-0.6 4,-2.7 -4,-0.5 5,-0.2 0.906 88.1 44.9 -60.7 -44.9 39.4 -9.4 28.6 96 98 A H H X S+ 0 0 62 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.911 112.8 50.9 -70.6 -39.8 36.6 -8.7 26.2 97 99 A D H > S+ 0 0 96 -4,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.880 112.9 47.1 -68.7 -37.2 33.8 -9.6 28.7 98 100 A E H >X S+ 0 0 51 -4,-2.0 4,-2.4 2,-0.2 3,-1.4 0.959 113.9 46.8 -63.6 -49.5 35.4 -7.3 31.3 99 101 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 -2,-0.2 0.829 100.2 67.9 -65.5 -25.9 35.8 -4.5 28.7 100 102 A D H 3< S+ 0 0 36 -4,-2.2 -1,-0.3 -5,-0.2 4,-0.2 0.834 111.1 34.8 -62.9 -33.1 32.2 -5.1 27.6 101 103 A R H X< S+ 0 0 112 -3,-1.4 3,-1.3 -4,-0.8 4,-0.3 0.906 115.5 54.3 -83.6 -42.7 31.2 -3.8 31.1 102 104 A W H >X S+ 0 0 76 -4,-2.4 3,-1.6 1,-0.3 4,-1.0 0.762 93.5 71.2 -62.3 -30.7 33.9 -1.1 31.5 103 105 A E T 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -27,-0.1 0.723 94.6 53.7 -63.1 -23.7 33.1 0.6 28.3 104 106 A H T <4 S+ 0 0 35 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.557 116.4 38.0 -88.6 -10.4 29.8 2.0 29.7 105 107 A V T <4 S+ 0 0 114 -3,-1.6 2,-0.4 -4,-0.3 -2,-0.2 0.454 84.3 107.5-121.5 -1.1 31.6 3.6 32.7 106 108 A M < - 0 0 23 -4,-1.0 2,-0.1 4,-0.0 -30,-0.1 -0.698 58.8-141.7 -82.1 127.6 35.0 5.0 31.5 107 109 A S > - 0 0 44 -2,-0.4 4,-1.5 1,-0.1 3,-0.2 -0.429 24.1-110.5 -78.9 162.2 35.1 8.8 31.3 108 110 A D H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.821 117.4 61.1 -50.9 -41.8 36.9 10.7 28.5 109 111 A E H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 102.6 50.0 -58.9 -43.0 39.6 11.8 31.1 110 112 A V H > S+ 0 0 64 1,-0.2 4,-2.8 -3,-0.2 -1,-0.2 0.926 110.3 51.2 -61.1 -43.7 40.5 8.1 31.8 111 113 A E H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.870 105.8 53.0 -58.8 -45.7 40.9 7.5 28.1 112 114 A R H X S+ 0 0 88 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.917 111.6 49.0 -58.9 -38.4 43.1 10.6 27.6 113 115 A R H X S+ 0 0 143 -4,-2.2 4,-3.2 1,-0.2 3,-0.3 0.928 108.3 51.9 -60.7 -47.5 45.3 9.0 30.4 114 116 A L H X S+ 0 0 13 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.884 102.6 59.6 -56.6 -43.5 45.3 5.6 28.8 115 117 A V H < S+ 0 0 31 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.3 37.4 -54.0 -38.6 46.5 7.2 25.5 116 118 A K H < S+ 0 0 147 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.860 120.0 46.9 -75.6 -41.8 49.6 8.5 27.4 117 119 A V H < S+ 0 0 77 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.920 97.4 75.9 -76.0 -40.0 50.1 5.4 29.6 118 120 A L S < S- 0 0 13 -4,-2.8 3,-0.2 -5,-0.2 -35,-0.1 -0.289 78.2-128.4 -70.9 154.7 49.8 2.6 27.1 119 121 A K S S+ 0 0 158 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.891 89.8 5.5 -64.9 -46.0 52.6 1.7 24.7 120 122 A D - 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