==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-JUL-07 2QQY . COMPND 2 MOLECULE: SIGMA B OPERON; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR.; . AUTHOR Y.KIM,G.JOACHIMIAK,R.WU,S.PATTERSON,P.GORNICKI,A.JOACHIMIAK, . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 82.0 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 . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 0 1 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 1 A X 0 0 158 0, 0.0 66,-0.0 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 98.6 3.6 39.4 27.8 2 2 A S > - 0 0 56 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.102 360.0-108.6 -57.2 166.4 7.2 40.3 28.5 3 3 A H H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.868 121.9 53.8 -65.1 -41.1 9.0 42.5 26.1 4 4 A D H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.872 108.6 48.3 -62.5 -40.5 11.1 39.5 25.1 5 5 A V H > S+ 0 0 24 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.903 110.4 52.0 -68.3 -42.1 7.9 37.5 24.3 6 6 A K H X S+ 0 0 94 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.922 112.5 45.2 -54.6 -46.7 6.5 40.4 22.3 7 7 A E H X S+ 0 0 63 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.780 111.3 52.6 -71.2 -31.1 9.8 40.7 20.3 8 8 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.937 110.2 49.2 -69.5 -46.1 9.9 36.8 19.8 9 9 A I H X S+ 0 0 8 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.912 108.0 52.6 -58.2 -46.7 6.2 37.0 18.4 10 10 A E H X S+ 0 0 97 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.908 111.6 48.6 -52.2 -44.6 7.1 39.8 16.0 11 11 A G H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 3,-0.3 0.931 110.0 48.8 -59.7 -54.1 10.0 37.6 14.8 12 12 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.856 109.9 54.1 -53.2 -39.1 7.7 34.5 14.4 13 13 A N H X S+ 0 0 30 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.844 107.1 49.6 -67.4 -36.6 5.3 36.7 12.5 14 14 A E H X S+ 0 0 102 -4,-1.6 4,-2.4 -3,-0.3 -2,-0.2 0.945 112.3 49.3 -60.4 -51.5 8.1 37.8 10.1 15 15 A D H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.885 110.5 49.8 -51.8 -49.4 8.9 34.0 9.7 16 16 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.923 109.4 50.4 -59.8 -47.3 5.3 33.2 9.0 17 17 A A H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 58,-1.8 0.911 111.7 49.7 -55.7 -40.9 5.0 36.0 6.3 18 18 A G H X S+ 0 0 3 -4,-2.4 4,-1.9 56,-0.2 -1,-0.2 0.856 109.0 52.3 -66.7 -37.8 8.2 34.6 4.7 19 19 A E H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.913 109.9 46.8 -65.4 -44.3 6.8 31.1 4.8 20 20 A Y H X S+ 0 0 72 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.894 111.9 53.5 -62.4 -37.8 3.5 32.1 3.0 21 21 A S H X S+ 0 0 13 -4,-2.1 4,-3.0 -5,-0.3 -1,-0.2 0.913 108.2 48.7 -60.3 -43.9 5.7 34.0 0.6 22 22 A A H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.894 108.6 53.4 -65.3 -40.9 7.7 30.8 -0.1 23 23 A I H X S+ 0 0 35 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.935 112.5 44.9 -57.5 -48.3 4.5 28.7 -0.6 24 24 A I H X S+ 0 0 87 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.949 113.6 50.1 -58.1 -53.6 3.4 31.3 -3.2 25 25 A X H X S+ 0 0 14 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.906 111.6 47.3 -51.9 -49.3 6.9 31.4 -4.9 26 26 A Y H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.882 113.2 47.3 -68.1 -38.2 7.1 27.6 -5.2 27 27 A N H X S+ 0 0 99 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.952 113.9 49.5 -60.7 -50.3 3.6 27.2 -6.6 28 28 A H H X S+ 0 0 82 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.897 113.1 46.2 -54.0 -46.2 4.4 30.0 -9.0 29 29 A N H X S+ 0 0 5 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.877 110.0 52.9 -68.6 -37.4 7.7 28.4 -10.0 30 30 A A H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.941 114.2 44.2 -60.8 -42.5 6.1 25.0 -10.4 31 31 A A H < S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 122.5 34.2 -65.3 -40.7 3.5 26.5 -12.8 32 32 A T H < S+ 0 0 70 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.587 79.9 115.3-104.8 -14.4 5.9 28.7 -14.9 33 33 A V < - 0 0 4 -4,-1.8 2,-0.2 -5,-0.2 9,-0.0 -0.364 47.5-172.8 -63.1 140.0 9.2 26.8 -15.2 34 34 A S + 0 0 73 4,-0.0 3,-0.2 3,-0.0 4,-0.1 -0.684 31.6 55.3-131.5 179.9 9.8 26.0 -18.9 35 35 A G S > S- 0 0 50 -2,-0.2 3,-2.1 1,-0.2 4,-0.4 0.017 100.9 -54.6 75.1 174.3 12.2 24.0 -21.2 36 36 A I T > S+ 0 0 161 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.841 132.9 60.9 -57.1 -35.2 13.1 20.3 -20.9 37 37 A Y T >> S+ 0 0 120 1,-0.3 4,-3.6 2,-0.2 3,-0.9 0.598 79.3 86.2 -72.3 -11.2 14.2 20.5 -17.2 38 38 A R H <> S+ 0 0 72 -3,-2.1 4,-2.3 1,-0.3 -1,-0.3 0.898 84.9 59.2 -46.7 -41.2 10.7 21.7 -16.3 39 39 A Q H <4 S+ 0 0 165 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.845 114.0 36.5 -59.8 -33.7 10.1 17.9 -16.1 40 40 A V H <> S+ 0 0 100 -3,-0.9 4,-0.9 -4,-0.3 -2,-0.2 0.913 121.5 42.3 -79.8 -46.4 12.9 17.9 -13.4 41 41 A L H X S+ 0 0 11 -4,-3.6 4,-2.9 1,-0.2 5,-0.3 0.850 99.9 66.4 -82.5 -36.0 12.2 21.2 -11.6 42 42 A K H X S+ 0 0 78 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.930 104.5 45.5 -49.8 -54.3 8.4 21.2 -11.3 43 43 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.868 112.5 53.6 -58.7 -34.0 8.4 18.2 -8.9 44 44 A F H X S+ 0 0 38 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.980 111.6 43.4 -60.8 -56.7 11.3 19.8 -7.0 45 45 A F H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 3,-0.3 0.934 113.4 53.4 -52.0 -51.7 9.3 23.1 -6.5 46 46 A E H X S+ 0 0 94 -4,-2.8 4,-1.0 -5,-0.3 3,-0.3 0.872 104.4 54.6 -50.6 -43.1 6.2 21.1 -5.7 47 47 A S H X S+ 0 0 67 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.897 104.3 54.8 -63.7 -37.0 8.0 19.2 -2.9 48 48 A E H X S+ 0 0 5 -4,-1.7 4,-2.4 -3,-0.3 -1,-0.2 0.824 97.3 66.7 -64.9 -32.5 9.1 22.4 -1.2 49 49 A I H X S+ 0 0 17 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.944 102.6 44.2 -49.9 -55.2 5.4 23.6 -1.1 50 50 A S H X S+ 0 0 85 -4,-1.0 4,-1.7 -3,-0.2 -1,-0.2 0.863 112.4 53.8 -62.6 -35.7 4.4 20.8 1.4 51 51 A D H X S+ 0 0 40 -4,-1.3 4,-1.5 1,-0.2 3,-0.4 0.967 111.3 43.0 -62.4 -53.2 7.5 21.4 3.5 52 52 A E H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.814 108.1 60.4 -66.2 -33.6 6.8 25.2 3.9 53 53 A Q H X S+ 0 0 107 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.892 104.1 51.0 -56.8 -42.5 3.1 24.5 4.5 54 54 A G H X S+ 0 0 37 -4,-1.7 4,-2.2 -3,-0.4 -2,-0.2 0.877 111.1 47.3 -66.3 -36.8 4.2 22.5 7.6 55 55 A H H X S+ 0 0 11 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.925 110.6 52.4 -69.1 -42.3 6.4 25.3 8.8 56 56 A A H X S+ 0 0 5 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.939 111.0 47.4 -58.4 -46.0 3.6 27.9 8.3 57 57 A L H X S+ 0 0 109 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.926 112.2 49.1 -60.4 -47.9 1.2 25.7 10.3 58 58 A Y H X S+ 0 0 28 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.904 113.6 47.0 -58.3 -46.2 3.7 25.2 13.2 59 59 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.932 111.0 48.2 -66.6 -47.2 4.5 29.0 13.3 60 60 A A H X S+ 0 0 19 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.918 113.6 50.0 -63.2 -37.7 0.9 30.2 13.3 61 61 A E H X S+ 0 0 111 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.933 112.7 46.3 -62.7 -45.6 0.1 27.6 16.1 62 62 A K H X S+ 0 0 34 -4,-2.4 4,-2.1 2,-0.2 6,-0.2 0.906 110.2 52.9 -65.5 -42.3 3.1 28.8 18.1 63 63 A I H <>S+ 0 0 0 -4,-3.0 5,-2.8 2,-0.2 3,-0.3 0.964 112.5 44.7 -55.5 -53.2 2.2 32.5 17.7 64 64 A K H ><5S+ 0 0 151 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.933 111.3 53.8 -56.6 -45.4 -1.4 31.8 18.9 65 65 A T H 3<5S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.4 51.1 -59.9 -33.9 -0.0 29.7 21.8 66 66 A L T 3<5S- 0 0 40 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.380 126.0-101.7 -84.3 -0.7 2.3 32.5 22.9 67 67 A G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.557 82.5 121.9 92.3 11.3 -0.7 35.0 22.9 68 68 A G < - 0 0 15 -5,-2.8 -1,-0.3 -6,-0.2 -62,-0.0 -0.345 65.0-111.1 -93.0-178.4 0.0 36.7 19.6 69 69 A T - 0 0 117 -2,-0.1 2,-0.3 -5,-0.0 -9,-0.0 -0.967 30.3-130.5-113.8 118.0 -2.0 37.1 16.4 70 70 A P - 0 0 34 0, 0.0 -10,-0.1 0, 0.0 -57,-0.1 -0.512 25.6-123.5 -68.9 128.5 -0.6 35.1 13.3 71 71 A T - 0 0 36 -2,-0.3 -11,-0.0 1,-0.1 0, 0.0 -0.252 17.9-164.9 -65.4 154.5 -0.3 37.3 10.2 72 72 A T + 0 0 116 2,-0.1 -1,-0.1 -52,-0.0 0, 0.0 0.128 62.4 101.5-119.4 15.0 -2.0 36.4 6.9 73 73 A I - 0 0 125 0, 0.0 -52,-0.1 0, 0.0 2,-0.1 -0.882 62.4-149.7-105.6 112.7 0.1 38.8 4.9 74 74 A P - 0 0 51 0, 0.0 -56,-0.2 0, 0.0 -57,-0.1 -0.427 20.2-104.9 -75.7 154.7 2.9 37.2 2.9 75 75 A L - 0 0 73 -58,-1.8 -61,-0.0 -61,-0.2 2,-0.0 -0.337 52.4 -86.8 -61.0 160.3 6.3 38.8 2.0 76 76 A R - 0 0 192 1,-0.1 2,-0.5 -2,-0.0 -1,-0.1 -0.317 36.8-128.9 -66.9 150.0 6.6 39.9 -1.7 77 77 A V - 0 0 47 -3,-0.1 2,-0.1 -53,-0.0 -1,-0.1 -0.927 22.5-123.4-100.4 125.8 7.8 37.3 -4.2 78 78 A K - 0 0 80 -2,-0.5 2,-0.5 11,-0.1 11,-0.0 -0.466 29.5-117.3 -63.8 136.3 10.7 38.5 -6.3 79 79 A Q - 0 0 147 -2,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.694 25.8-151.5 -84.0 123.5 9.8 38.2 -10.0 80 80 A A - 0 0 17 -2,-0.5 3,-0.1 1,-0.1 6,-0.0 -0.836 11.7-167.0-101.2 124.3 12.0 35.8 -11.9 81 81 A E S S+ 0 0 128 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.497 72.6 2.2 -87.4 -8.0 12.6 36.4 -15.6 82 82 A D S > S- 0 0 81 1,-0.1 4,-2.2 -49,-0.0 5,-0.1 -0.962 85.1 -86.0-165.4 174.3 14.2 33.0 -16.3 83 83 A V H > S+ 0 0 15 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.871 120.8 53.9 -60.8 -44.3 15.1 29.6 -14.7 84 84 A R H > S+ 0 0 122 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.964 113.0 45.2 -53.6 -53.7 18.6 30.7 -13.4 85 85 A E H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.850 107.9 56.9 -55.4 -42.1 16.9 33.6 -11.7 86 86 A X H X S+ 0 0 11 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.931 112.0 42.7 -56.6 -44.8 14.1 31.4 -10.4 87 87 A L H X S+ 0 0 16 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.924 114.7 49.6 -71.7 -38.1 16.8 29.2 -8.7 88 88 A E H X S+ 0 0 74 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.910 112.3 46.9 -65.6 -42.0 18.8 32.1 -7.4 89 89 A Y H X S+ 0 0 61 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.843 111.4 50.7 -69.5 -34.5 15.8 33.9 -5.9 90 90 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.914 112.2 49.3 -64.1 -42.4 14.6 30.7 -4.2 91 91 A R H X S+ 0 0 70 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 111.8 47.4 -60.7 -45.2 18.2 30.3 -2.8 92 92 A Q H X S+ 0 0 63 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.916 109.7 53.1 -66.0 -43.5 18.2 33.9 -1.5 93 93 A S H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.933 111.2 47.1 -56.0 -45.4 14.7 33.4 0.0 94 94 A E H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.870 109.1 54.3 -62.0 -43.0 16.0 30.3 1.8 95 95 A Y H X S+ 0 0 127 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.939 111.7 43.8 -55.5 -49.7 19.1 32.2 3.0 96 96 A E H X S+ 0 0 73 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.860 110.7 55.5 -64.4 -36.6 17.0 34.9 4.5 97 97 A T H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.924 110.8 44.9 -62.4 -44.9 14.6 32.4 6.1 98 98 A I H X S+ 0 0 21 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.881 110.1 54.9 -65.6 -41.3 17.6 30.7 7.8 99 99 A K H X S+ 0 0 151 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.944 110.9 45.3 -56.7 -49.4 19.1 34.0 8.9 100 100 A R H X S+ 0 0 40 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.913 111.8 51.6 -56.2 -51.6 15.8 34.9 10.6 101 101 A Y H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.871 106.9 53.8 -59.0 -37.7 15.5 31.4 12.2 102 102 A E H X S+ 0 0 81 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.934 110.8 46.6 -61.3 -43.5 19.0 31.6 13.7 103 103 A K H X S+ 0 0 113 -4,-1.9 4,-1.7 -5,-0.2 3,-0.3 0.957 111.8 50.1 -62.0 -49.2 18.0 34.9 15.2 104 104 A R H X S+ 0 0 6 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.823 105.7 59.1 -55.7 -38.3 14.7 33.4 16.5 105 105 A K H X S+ 0 0 37 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.905 106.1 46.0 -58.2 -43.0 16.7 30.4 18.0 106 106 A E H X S+ 0 0 98 -4,-1.6 4,-1.9 -3,-0.3 -2,-0.2 0.806 113.6 50.2 -73.1 -31.0 18.8 32.8 20.2 107 107 A Q H X S+ 0 0 18 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.941 115.0 42.6 -60.2 -53.3 15.5 34.5 21.2 108 108 A A H <>S+ 0 0 0 -4,-3.2 5,-2.8 2,-0.2 3,-0.4 0.905 115.7 49.5 -61.2 -45.1 13.9 31.2 22.1 109 109 A A H ><5S+ 0 0 37 -4,-3.1 3,-2.5 1,-0.2 -1,-0.2 0.945 106.7 55.6 -60.3 -47.8 17.1 29.9 23.8 110 110 A N H 3<5S+ 0 0 122 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.771 109.4 47.0 -56.0 -28.3 17.3 33.1 25.8 111 111 A L T 3<5S- 0 0 46 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.136 116.2-115.8 -96.1 14.1 13.8 32.5 27.1 112 112 A N T < 5 + 0 0 142 -3,-2.5 2,-1.3 1,-0.2 -3,-0.2 0.815 56.3 162.0 55.7 36.9 14.6 28.9 27.9 113 113 A X >< + 0 0 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