==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 09-DEC-05 2FBQ . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR V.V.LUNIN,T.SKARINA,O.ONOPRIYENKO,Y.KIM,A.JOACHIMIAK,A.M.EDW . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 77.5 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 . 0 0.0 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 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 1 0 2 0 0 1 0 1 1 0 0 0 0 1 0 0 0 1 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 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 2 A A > 0 0 101 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.6 16.3 74.2 -2.5 2 3 A Q H > + 0 0 124 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.732 360.0 40.7 -91.5 -44.5 13.5 73.6 -0.0 3 4 A S H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.923 117.9 49.6 -57.8 -47.4 15.1 70.1 0.1 4 5 A E H > S+ 0 0 94 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.820 104.4 55.5 -72.7 -32.2 18.5 71.8 -0.1 5 6 A T H X S+ 0 0 38 -4,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.935 112.8 44.4 -59.1 -44.6 17.7 74.3 2.8 6 7 A V H X S+ 0 0 28 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.929 114.0 50.2 -67.3 -42.0 16.9 71.3 4.9 7 8 A E H X S+ 0 0 53 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.911 109.7 49.7 -63.6 -41.9 20.0 69.4 3.7 8 9 A R H X S+ 0 0 110 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.892 113.2 47.4 -63.9 -39.1 22.3 72.4 4.4 9 10 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.945 114.2 45.5 -64.8 -47.7 21.0 72.7 7.9 10 11 A L H X S+ 0 0 9 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.882 112.2 52.3 -68.4 -34.0 21.2 68.9 8.6 11 12 A D H X S+ 0 0 70 -4,-2.9 4,-2.2 -5,-0.2 5,-0.2 0.935 113.1 44.5 -66.4 -42.3 24.8 68.8 7.1 12 13 A A H X S+ 0 0 4 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.942 116.2 45.9 -65.0 -47.3 25.9 71.7 9.3 13 14 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.916 111.7 50.8 -62.8 -45.7 24.2 70.3 12.4 14 15 A E H X S+ 0 0 11 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.942 114.2 44.3 -64.3 -42.3 25.5 66.7 11.9 15 16 A Q H X S+ 0 0 79 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.949 117.3 44.3 -65.5 -49.2 29.1 68.0 11.5 16 17 A L H X>S+ 0 0 12 -4,-2.7 4,-2.9 -5,-0.2 5,-0.5 0.899 113.7 49.0 -61.7 -45.0 29.0 70.4 14.4 17 18 A F H X5S+ 0 0 0 -4,-3.3 4,-2.0 -5,-0.2 -1,-0.2 0.914 112.6 49.8 -59.9 -43.3 27.3 67.9 16.7 18 19 A A H <5S+ 0 0 6 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.869 119.1 38.5 -63.1 -34.1 29.9 65.2 15.7 19 20 A E H <5S+ 0 0 117 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.856 134.4 16.3 -81.6 -41.6 32.8 67.7 16.4 20 21 A K H <5S- 0 0 93 -4,-2.9 4,-0.4 1,-0.2 -3,-0.2 0.517 101.5-119.6-115.5 -16.0 31.6 69.6 19.5 21 22 A G << - 0 0 1 -4,-2.0 4,-0.3 -5,-0.5 -1,-0.2 -0.162 37.0 -75.5 87.8 174.5 28.7 67.4 21.0 22 23 A F S > S+ 0 0 2 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.923 123.2 54.2 -75.2 -44.4 25.1 68.6 21.4 23 24 A A T 3 S+ 0 0 71 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.891 111.4 44.5 -60.2 -40.4 25.4 70.8 24.4 24 25 A E T 3 S+ 0 0 142 -4,-0.4 2,-0.7 -7,-0.1 -1,-0.2 0.457 95.4 87.4 -88.6 -0.8 28.1 73.0 23.0 25 26 A T < - 0 0 0 -3,-1.1 2,-0.2 -4,-0.3 -1,-0.0 -0.872 64.4-159.2-101.6 117.1 26.5 73.4 19.5 26 27 A S > - 0 0 43 -2,-0.7 4,-2.4 1,-0.1 5,-0.2 -0.505 27.5-122.4 -92.5 159.2 24.0 76.3 19.2 27 28 A L H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.848 114.8 55.3 -63.0 -31.9 21.3 76.8 16.7 28 29 A R H > S+ 0 0 156 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 107.6 49.1 -71.3 -34.1 22.9 80.1 15.7 29 30 A L H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.933 112.0 48.7 -64.9 -43.9 26.3 78.4 15.0 30 31 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.926 111.3 51.5 -56.9 -47.4 24.4 75.8 12.9 31 32 A T H X>S+ 0 0 13 -4,-2.6 5,-1.6 2,-0.2 4,-1.1 0.929 112.3 43.8 -55.5 -50.0 22.6 78.6 11.1 32 33 A S H ><5S+ 0 0 73 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.944 115.2 48.5 -66.9 -44.4 25.8 80.5 10.3 33 34 A K H 3<5S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.857 113.1 48.2 -58.3 -36.9 27.6 77.3 9.3 34 35 A A H 3<5S- 0 0 8 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.638 106.4-130.3 -78.1 -15.8 24.7 76.2 7.1 35 36 A G T <<5 + 0 0 49 -4,-1.1 2,-0.2 -3,-0.7 -3,-0.2 0.818 69.8 110.4 68.8 33.0 24.5 79.7 5.4 36 37 A V S > - 0 0 105 -2,-0.2 3,-1.7 1,-0.1 4,-1.1 -0.663 29.7-115.5 -93.5 158.3 18.7 82.2 8.3 38 39 A L H 3> S+ 0 0 78 1,-0.3 4,-2.7 -2,-0.2 3,-0.2 0.816 114.5 63.9 -53.4 -37.6 17.6 81.3 11.8 39 40 A A H 3> S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.801 97.4 56.8 -55.8 -31.8 13.9 81.4 10.6 40 41 A A H <> S+ 0 0 14 -3,-1.7 4,-2.4 2,-0.2 5,-0.3 0.926 108.5 45.7 -70.1 -39.6 14.7 78.5 8.2 41 42 A V H X>S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 5,-2.0 0.935 114.1 49.9 -63.9 -45.9 15.9 76.4 11.2 42 43 A N H <5S+ 0 0 83 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.918 113.5 45.9 -55.7 -46.8 12.7 77.5 13.1 43 44 A Y H <5S+ 0 0 178 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.923 120.7 34.6 -64.8 -47.4 10.5 76.6 10.2 44 45 A H H <5S+ 0 0 54 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.804 140.9 4.6 -86.1 -29.5 11.9 73.2 9.4 45 46 A F T <5 - 0 0 35 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.741 69.5-160.6-121.2 -55.6 12.8 72.0 12.9 46 47 A G < + 0 0 50 -5,-2.0 2,-0.3 -6,-0.1 -4,-0.2 0.232 68.4 33.3 87.1 -13.1 11.7 74.5 15.6 47 48 A S S > S- 0 0 53 -6,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.962 80.3-111.1-164.1 160.6 14.1 73.3 18.4 48 49 A K H > S+ 0 0 60 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.898 117.6 54.3 -63.4 -45.1 17.5 71.8 19.0 49 50 A K H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 108.1 48.7 -56.8 -41.5 16.0 68.5 20.1 50 51 A A H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 111.6 49.7 -67.3 -35.1 13.9 68.2 16.9 51 52 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.905 110.5 49.9 -66.8 -43.3 17.1 69.0 14.8 52 53 A I H X S+ 0 0 3 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.947 111.8 50.1 -56.7 -50.9 19.1 66.3 16.8 53 54 A Q H X S+ 0 0 40 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.923 110.5 48.6 -55.4 -44.5 16.2 63.9 16.0 54 55 A A H X S+ 0 0 22 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.856 106.5 55.6 -65.8 -36.9 16.2 64.7 12.3 55 56 A V H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.944 111.5 46.0 -59.9 -47.0 20.0 64.3 12.1 56 57 A F H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-0.6 0.908 110.7 52.7 -59.8 -42.7 19.5 60.7 13.5 57 58 A S H 3X S+ 0 0 19 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.805 96.5 64.8 -67.3 -30.8 16.6 60.0 11.2 58 59 A R H 3< S+ 0 0 34 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.892 114.7 34.5 -61.3 -34.9 18.5 60.9 8.1 59 60 A F H S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.890 119.3 54.3 -60.0 -42.1 16.7 54.4 5.0 63 64 A F H X S+ 0 0 28 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.914 112.4 41.7 -52.3 -54.0 18.5 51.8 7.1 64 65 A C H X S+ 0 0 7 -4,-3.4 4,-2.9 2,-0.2 5,-0.2 0.883 112.8 54.1 -69.9 -38.3 15.4 50.7 9.0 65 66 A A H X S+ 0 0 62 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.932 115.1 41.7 -54.5 -45.9 13.2 50.8 5.8 66 67 A S H X S+ 0 0 45 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.857 113.3 51.1 -75.2 -37.2 15.7 48.5 4.2 67 68 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.928 110.8 49.8 -64.8 -45.1 16.2 46.3 7.2 68 69 A E H X S+ 0 0 86 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.928 110.6 49.8 -60.1 -43.0 12.5 45.8 7.6 69 70 A K H X S+ 0 0 160 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.872 112.4 48.1 -63.4 -39.0 12.1 44.9 3.8 70 71 A E H X S+ 0 0 30 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.866 110.4 48.8 -72.7 -40.0 14.9 42.4 4.1 71 72 A L H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.927 113.2 49.2 -59.3 -47.3 13.6 40.7 7.2 72 73 A D H X S+ 0 0 80 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.944 113.7 47.7 -57.9 -45.5 10.1 40.5 5.5 73 74 A R H X S+ 0 0 122 -4,-2.4 4,-0.6 1,-0.2 3,-0.2 0.916 113.0 45.5 -64.1 -43.0 11.9 39.1 2.5 74 75 A R H >< S+ 0 0 92 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.879 113.8 48.9 -70.9 -33.7 13.9 36.5 4.4 75 76 A Q H 3< S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.630 104.3 60.9 -82.4 -13.4 10.9 35.4 6.5 76 77 A A H 3< S+ 0 0 77 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.615 75.9 116.8 -81.7 -15.3 8.7 35.0 3.4 77 78 A K X< - 0 0 106 -4,-0.6 3,-1.7 -3,-0.6 -3,-0.0 -0.306 69.5-134.6 -54.0 131.9 11.1 32.4 1.9 78 79 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.891 106.4 38.6 -58.5 -39.6 9.2 29.0 1.6 79 80 A E T 3 S+ 0 0 162 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 0.053 87.5 153.3 -99.2 26.5 12.0 27.0 3.2 80 81 A A < - 0 0 47 -3,-1.7 2,-0.2 -5,-0.1 -5,-0.1 -0.364 18.3-179.3 -64.6 117.8 12.9 29.8 5.7 81 82 A Q - 0 0 158 -2,-0.3 -4,-0.1 1,-0.1 -2,-0.0 -0.664 41.1 -64.8-110.3 174.5 14.5 28.5 8.9 82 83 A H - 0 0 170 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.263 51.7-116.0 -68.8 136.4 15.7 30.4 11.9 83 84 A A - 0 0 39 4,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.439 25.8-136.5 -66.7 140.6 18.5 33.0 11.5 84 85 A T > - 0 0 58 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.491 29.9-101.1 -85.2 166.3 21.7 32.2 13.4 85 86 A L H > S+ 0 0 0 62,-0.5 4,-2.3 1,-0.2 5,-0.3 0.904 126.0 52.5 -58.4 -39.3 23.6 35.0 15.3 86 87 A E H > S+ 0 0 61 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.929 108.7 50.2 -63.6 -43.7 26.0 35.3 12.5 87 88 A D H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 113.2 45.5 -52.3 -54.3 23.2 35.7 10.0 88 89 A L H X S+ 0 0 5 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.833 115.2 46.0 -63.9 -37.9 21.6 38.4 12.0 89 90 A L H X S+ 0 0 15 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.915 112.9 49.6 -74.7 -46.2 24.9 40.3 12.6 90 91 A H H X S+ 0 0 82 -4,-3.1 4,-3.2 -5,-0.3 5,-0.2 0.890 105.8 59.7 -53.2 -39.7 25.9 40.0 9.0 91 92 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.921 105.2 47.5 -54.6 -46.4 22.4 41.3 8.1 92 93 A L H X S+ 0 0 46 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.919 113.1 48.7 -64.5 -40.2 23.0 44.5 10.1 93 94 A V H X S+ 0 0 15 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.951 111.6 48.0 -60.7 -51.2 26.5 44.9 8.4 94 95 A S H X S+ 0 0 47 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.924 112.7 50.7 -58.2 -41.3 25.0 44.3 4.9 95 96 A Q H X S+ 0 0 15 -4,-2.5 4,-0.6 -5,-0.2 3,-0.3 0.926 109.9 48.5 -64.1 -41.5 22.3 46.9 5.7 96 97 A A H >< S+ 0 0 26 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.914 111.1 51.4 -63.3 -40.2 24.8 49.5 6.9 97 98 A M H 3< S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.776 104.6 58.5 -65.9 -25.6 26.9 48.9 3.7 98 99 A A H 3< S+ 0 0 69 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.2 0.614 77.5 109.2 -82.5 -11.8 23.8 49.4 1.6 99 100 A V S << S- 0 0 46 -3,-1.1 7,-0.1 -4,-0.6 -40,-0.0 -0.484 81.7-110.2 -71.4 126.5 23.1 52.9 2.9 100 101 A K - 0 0 181 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.412 36.9-116.9 -61.0 119.9 23.8 55.5 0.2 101 102 A P + 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.236 40.8 164.9 -58.2 143.4 26.9 57.5 1.1 102 103 A R S S+ 0 0 91 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.570 83.4 16.6-118.2 -66.5 26.6 61.3 1.7 103 104 A S S S- 0 0 59 1,-0.0 -92,-0.0 -92,-0.0 0, 0.0 0.650 95.9-124.7 -79.2 -17.7 29.8 62.5 3.5 104 105 A G S S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.355 108.1 68.3 79.2 -5.6 31.7 59.3 2.7 105 106 A N > + 0 0 67 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.078 63.4 130.6-122.8 28.6 32.2 59.0 6.5 106 107 A D H > + 0 0 18 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.856 67.9 45.4 -61.9 -46.9 28.6 58.3 7.2 107 108 A L H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.932 114.7 49.3 -65.1 -42.0 28.9 55.2 9.4 108 109 A S H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.916 112.9 46.7 -60.8 -47.6 31.7 56.8 11.5 109 110 A I H X S+ 0 0 30 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.945 111.9 50.8 -65.1 -43.3 29.7 60.0 12.0 110 111 A F H X S+ 0 0 27 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.959 113.5 45.9 -54.4 -47.6 26.5 58.1 12.9 111 112 A M H X S+ 0 0 22 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.865 110.4 52.7 -68.7 -34.1 28.4 56.1 15.5 112 113 A R H X S+ 0 0 83 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.938 113.5 44.4 -60.5 -49.9 30.2 59.3 16.8 113 114 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.880 109.6 55.8 -62.5 -40.9 26.8 60.9 17.3 114 115 A L H X S+ 0 0 23 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.914 108.4 48.0 -57.2 -45.0 25.3 57.7 18.8 115 116 A G H X S+ 0 0 33 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.901 110.7 51.4 -64.6 -41.0 28.1 57.7 21.5 116 117 A L H X S+ 0 0 31 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.843 102.0 60.9 -64.0 -31.0 27.4 61.4 22.2 117 118 A A H <>S+ 0 0 12 -4,-2.0 5,-2.8 1,-0.2 -1,-0.2 0.918 112.6 38.9 -63.0 -38.5 23.7 60.5 22.6 118 119 A F H ><5S+ 0 0 119 -4,-1.5 3,-1.7 3,-0.2 -2,-0.2 0.946 116.1 47.4 -74.8 -51.0 24.8 58.3 25.5 119 120 A S H 3<5S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.824 118.4 43.2 -67.0 -27.1 27.5 60.4 27.1 120 121 A Q T 3<5S- 0 0 58 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.169 109.3-125.8 -99.7 18.3 25.2 63.5 26.9 121 122 A S T < 5 - 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