==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUN-09 2WLA . COMPND 2 MOLECULE: DPS-LIKE PEROXIDE RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR T.HAIKARAINEN,C.-C.TSOU,J.-J.WU,A.C.PAPAGEORGIOU . 167 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 73.7 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 . 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 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 3 A N 0 0 157 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.9 74.9 97.6 132.7 2 4 A T > - 0 0 76 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.138 360.0-110.8 -67.1 162.6 74.0 101.1 133.7 3 5 A L H > S+ 0 0 80 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.911 120.2 54.9 -58.7 -43.9 70.5 102.2 134.9 4 6 A V H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.915 109.0 47.0 -55.0 -46.8 70.0 104.1 131.7 5 7 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 112.6 49.8 -64.2 -41.2 70.8 101.0 129.6 6 8 A N H X S+ 0 0 74 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.908 111.8 47.3 -62.6 -45.7 68.4 98.9 131.7 7 9 A I H X S+ 0 0 1 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.944 112.3 50.5 -61.1 -48.1 65.6 101.5 131.4 8 10 A Y H X S+ 0 0 66 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.922 111.1 47.5 -54.8 -49.8 66.1 101.7 127.6 9 11 A A H < S+ 0 0 56 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.892 115.5 46.0 -60.7 -40.9 66.0 97.9 127.1 10 12 A S H >< S+ 0 0 57 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.895 112.8 48.3 -70.5 -42.5 62.9 97.6 129.2 11 13 A V H 3< S+ 0 0 16 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.874 118.1 39.9 -65.3 -39.0 61.0 100.5 127.6 12 14 A T T 3< S+ 0 0 38 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.339 91.0 94.8 -97.6 7.0 61.8 99.3 124.0 13 15 A H < 0 0 166 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.970 360.0 360.0 -64.4 -60.0 61.3 95.6 124.6 14 16 A N 0 0 138 -4,-0.5 -3,-0.0 -3,-0.2 -2,-0.0 0.655 360.0 360.0 -81.1 360.0 57.6 95.1 123.6 15 ! 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 16 23 A S > 0 0 100 0, 0.0 3,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.9 55.0 103.8 113.4 17 24 A K T 3 + 0 0 88 1,-0.2 3,-0.1 2,-0.1 4,-0.1 0.513 360.0 45.8 -74.9 -6.8 58.1 106.0 113.3 18 25 A N T 3> + 0 0 37 1,-0.1 4,-2.2 2,-0.1 -1,-0.2 0.016 69.6 119.5-127.7 31.2 57.6 107.1 116.9 19 26 A E H <> S+ 0 0 95 -3,-1.0 4,-1.9 1,-0.2 5,-0.1 0.865 79.0 48.3 -63.5 -40.6 56.9 103.9 118.8 20 27 A K H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 111.0 51.4 -69.5 -38.9 59.9 104.2 121.1 21 28 A T H > S+ 0 0 0 2,-0.2 4,-2.2 110,-0.2 -2,-0.2 0.915 110.7 48.2 -61.9 -44.6 59.0 107.9 121.9 22 29 A K H X S+ 0 0 37 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.899 111.6 51.2 -62.3 -40.0 55.4 106.9 122.8 23 30 A A H X S+ 0 0 35 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.877 110.8 46.3 -64.4 -41.5 56.7 104.1 125.0 24 31 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.892 112.1 51.1 -74.4 -36.7 59.1 106.2 127.0 25 32 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.921 111.2 48.9 -59.1 -44.6 56.5 109.0 127.5 26 33 A N H X S+ 0 0 22 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.869 107.2 54.2 -67.0 -35.1 54.1 106.3 128.7 27 34 A Q H X S+ 0 0 16 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.917 108.3 51.4 -60.0 -42.0 56.7 104.9 131.1 28 35 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.846 103.3 57.8 -65.2 -35.8 57.0 108.5 132.4 29 36 A V H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.968 112.5 41.1 -55.3 -51.7 53.2 108.7 132.9 30 37 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.921 117.2 47.1 -63.3 -47.8 53.4 105.6 135.2 31 38 A D H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.874 111.8 49.6 -66.2 -38.6 56.6 106.8 137.0 32 39 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.875 109.8 51.9 -67.3 -37.7 55.4 110.3 137.7 33 40 A S H X S+ 0 0 20 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.912 114.6 42.4 -64.9 -42.2 52.2 109.1 139.1 34 41 A V H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.929 112.4 53.5 -68.4 -45.0 54.1 106.8 141.5 35 42 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.901 108.0 51.2 -55.4 -43.8 56.6 109.5 142.3 36 43 A A H X S+ 0 0 8 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.906 109.3 50.4 -60.1 -43.4 53.8 111.9 143.2 37 44 A S H X S+ 0 0 53 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.908 111.0 49.0 -59.2 -46.3 52.3 109.2 145.5 38 45 A I H X S+ 0 0 5 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.905 111.5 48.8 -61.1 -45.0 55.7 108.7 147.2 39 46 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.914 109.6 52.6 -63.1 -42.2 56.2 112.4 147.7 40 47 A H H X S+ 0 0 58 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.894 104.6 56.6 -59.9 -40.1 52.7 112.7 149.2 41 48 A Q H X S+ 0 0 48 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.899 106.6 49.0 -59.0 -42.1 53.5 109.9 151.6 42 49 A V H X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.926 108.0 54.9 -61.7 -46.0 56.5 112.0 152.9 43 50 A H H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 117.9 35.6 -50.9 -43.0 54.2 115.0 153.3 44 51 A W H < S+ 0 0 152 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.898 122.7 37.6 -82.3 -43.4 51.8 113.0 155.5 45 52 A Y H < S+ 0 0 62 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.613 82.0 118.2 -93.7 -15.0 54.1 110.7 157.5 46 53 A M < + 0 0 6 -4,-1.8 2,-0.3 -5,-0.3 60,-0.1 -0.229 32.8 173.5 -58.8 137.2 57.1 112.8 158.3 47 54 A R + 0 0 156 58,-0.5 60,-0.3 56,-0.1 -2,-0.0 -0.989 31.4 68.2-139.2 141.7 58.0 113.6 162.0 48 55 A G S > S- 0 0 33 -2,-0.3 3,-2.1 58,-0.1 58,-0.0 -0.567 85.0 -37.2 135.5 164.3 61.1 115.4 163.3 49 56 A P T 3 S+ 0 0 130 0, 0.0 -2,-0.1 0, 0.0 58,-0.1 -0.240 123.0 34.3 -53.8 134.5 62.9 118.7 163.5 50 57 A G T >> S+ 0 0 22 4,-0.0 4,-2.6 57,-0.0 3,-1.6 0.223 77.4 122.6 100.0 -13.3 62.6 120.6 160.2 51 58 A F H <> + 0 0 62 -3,-2.1 4,-2.9 1,-0.2 -5,-0.1 0.860 65.9 64.0 -42.3 -45.0 59.0 119.3 159.5 52 59 A L H 34 S+ 0 0 154 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.714 115.9 27.4 -68.0 -19.6 57.7 122.9 159.3 53 60 A Y H <> S+ 0 0 125 -3,-1.6 4,-1.3 2,-0.1 -1,-0.2 0.681 121.8 51.8-104.5 -25.9 59.8 123.7 156.2 54 61 A L H X S+ 0 0 8 -4,-2.6 4,-1.7 2,-0.2 -3,-0.2 0.865 102.6 60.3 -77.3 -36.0 60.1 120.2 154.7 55 62 A H H X S+ 0 0 56 -4,-2.9 4,-1.1 -5,-0.3 3,-0.3 0.943 110.0 39.9 -56.5 -52.6 56.3 119.5 154.9 56 63 A P H > S+ 0 0 55 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.846 108.7 62.9 -68.8 -29.8 55.5 122.5 152.6 57 64 A K H X S+ 0 0 56 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.873 99.4 55.7 -55.0 -38.6 58.5 121.6 150.4 58 65 A M H X S+ 0 0 1 -4,-1.7 4,-2.6 -3,-0.3 -1,-0.2 0.865 103.7 53.1 -63.6 -37.6 56.8 118.3 149.7 59 66 A D H X S+ 0 0 64 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.876 108.8 49.9 -65.2 -36.4 53.7 120.2 148.4 60 67 A E H X S+ 0 0 115 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.910 112.2 46.7 -65.7 -44.6 55.9 122.2 146.0 61 68 A L H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.901 111.8 52.4 -62.3 -41.4 57.6 119.0 144.7 62 69 A L H X S+ 0 0 16 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.937 108.8 48.7 -61.4 -48.0 54.2 117.4 144.3 63 70 A D H X S+ 0 0 108 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.909 112.4 49.7 -57.6 -42.8 52.8 120.3 142.3 64 71 A S H X S+ 0 0 48 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.892 110.4 49.0 -65.2 -41.3 55.9 120.2 140.1 65 72 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.910 110.8 50.7 -64.2 -42.2 55.6 116.4 139.5 66 73 A N H X S+ 0 0 63 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.845 108.0 52.7 -65.4 -32.1 51.9 116.8 138.6 67 74 A A H X S+ 0 0 54 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.901 108.6 50.4 -68.0 -41.4 52.8 119.5 136.1 68 75 A N H X S+ 0 0 20 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.913 109.3 52.3 -57.8 -44.8 55.3 117.1 134.5 69 76 A L H X S+ 0 0 31 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.908 108.5 50.0 -59.1 -45.6 52.6 114.5 134.4 70 77 A D H X S+ 0 0 90 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.933 114.4 44.1 -57.7 -47.7 50.2 116.9 132.6 71 78 A E H X S+ 0 0 110 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.898 116.0 46.3 -68.4 -41.2 52.8 117.8 130.0 72 79 A V H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.934 115.3 45.5 -64.4 -49.3 54.0 114.3 129.4 73 80 A S H X S+ 0 0 23 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.922 114.9 47.3 -63.6 -45.8 50.5 112.8 129.1 74 81 A E H X S+ 0 0 118 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.875 111.5 51.0 -65.7 -35.8 49.3 115.6 126.8 75 82 A R H X S+ 0 0 70 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.925 109.6 51.4 -64.9 -42.4 52.4 115.3 124.6 76 83 A L H <>S+ 0 0 1 -4,-2.4 5,-2.9 2,-0.2 -2,-0.2 0.911 111.4 46.1 -59.8 -45.7 51.8 111.5 124.4 77 84 A I H ><5S+ 0 0 97 -4,-2.3 3,-1.6 3,-0.2 -1,-0.2 0.937 111.4 54.1 -58.9 -46.0 48.1 112.1 123.3 78 85 A T H 3<5S+ 0 0 103 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.837 106.4 49.4 -60.6 -40.0 49.3 114.7 120.8 79 86 A I T 3<5S- 0 0 29 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.297 130.7 -89.1 -88.1 9.0 51.8 112.5 119.0 80 87 A G T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.601 85.6 123.0 100.6 15.4 49.2 109.7 118.6 81 88 A G < - 0 0 21 -5,-2.9 -1,-0.2 -6,-0.2 -58,-0.0 -0.254 56.1-125.5 -98.1-172.7 49.6 107.6 121.8 82 89 A A - 0 0 79 -2,-0.1 3,-0.1 -60,-0.1 2,-0.1 -0.900 25.5-140.6-139.4 101.4 47.3 106.5 124.7 83 90 A P - 0 0 35 0, 0.0 -57,-0.1 0, 0.0 -10,-0.0 -0.353 26.0-103.3 -69.1 142.1 48.5 107.3 128.2 84 91 A Y + 0 0 47 -58,-0.2 3,-0.0 1,-0.1 -11,-0.0 -0.338 43.7 176.2 -48.9 142.7 48.0 104.9 131.1 85 92 A S + 0 0 92 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.084 44.0 76.4-153.7 27.7 45.0 106.3 133.1 86 93 A T S > S- 0 0 67 1,-0.1 4,-2.1 0, 0.0 3,-0.2 -0.981 76.8-122.3-137.3 151.5 44.2 103.9 135.9 87 94 A L H > S+ 0 0 142 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.861 112.8 55.7 -61.5 -36.0 46.0 103.4 139.3 88 95 A A H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 107.5 48.5 -63.0 -40.7 46.6 99.7 138.5 89 96 A E H > S+ 0 0 68 -3,-0.2 4,-2.4 2,-0.2 5,-0.3 0.916 111.8 49.4 -64.0 -45.2 48.4 100.6 135.2 90 97 A F H X S+ 0 0 33 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.955 114.8 44.4 -56.8 -50.9 50.6 103.2 137.0 91 98 A S H < S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.884 115.7 46.8 -63.2 -42.7 51.5 100.7 139.8 92 99 A K H < S+ 0 0 167 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.869 119.6 36.5 -68.9 -39.2 52.1 97.8 137.4 93 100 A H H < S+ 0 0 64 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.685 92.3 100.7 -95.2 -18.5 54.3 99.6 134.8 94 101 A S < - 0 0 13 -4,-2.0 -66,-0.1 -5,-0.3 -67,-0.0 -0.384 61.6-149.2 -64.6 144.2 56.2 102.0 137.1 95 102 A K S S+ 0 0 73 -68,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.343 74.1 94.7 -93.2 3.5 59.8 101.0 137.9 96 103 A L - 0 0 15 -5,-0.0 2,-0.3 -66,-0.0 -2,-0.1 -0.818 68.2-144.4 -96.5 133.1 59.4 102.7 141.3 97 104 A D - 0 0 131 -2,-0.4 2,-0.3 -63,-0.0 -2,-0.1 -0.721 8.9-151.9 -93.3 148.9 58.4 100.6 144.3 98 105 A E - 0 0 88 -2,-0.3 2,-0.3 -7,-0.1 -63,-0.0 -0.884 4.4-157.4-114.6 152.2 56.1 101.9 147.1 99 106 A A - 0 0 66 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.942 35.1 -88.2-124.0 151.5 56.0 100.8 150.7 100 107 A K - 0 0 193 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.228 55.0-101.3 -51.0 137.2 53.2 101.1 153.3 101 108 A G + 0 0 13 2,-0.0 2,-0.3 -3,-0.0 -1,-0.1 -0.381 44.9 177.9 -64.8 141.9 53.3 104.5 155.1 102 109 A T > - 0 0 46 -3,-0.1 3,-1.0 -61,-0.1 -57,-0.1 -0.979 32.3-144.2-146.6 137.4 54.8 104.5 158.6 103 110 A Y T 3 S+ 0 0 112 -2,-0.3 -56,-0.1 1,-0.2 -2,-0.0 0.557 93.2 75.2 -74.2 -7.0 55.4 107.4 161.1 104 111 A D T 3 + 0 0 124 -58,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.490 65.8 110.0 -91.2 -1.2 58.6 105.7 162.3 105 112 A K < - 0 0 84 -3,-1.0 -58,-0.5 -60,-0.1 2,-0.1 -0.515 69.6-124.9 -68.4 136.6 60.7 106.7 159.2 106 113 A T > - 0 0 72 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.381 17.5-111.8 -81.0 161.8 63.3 109.3 160.0 107 114 A V H > S+ 0 0 29 -60,-0.3 4,-2.5 1,-0.2 5,-0.2 0.928 121.2 54.3 -54.6 -45.4 63.7 112.7 158.2 108 115 A A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 106.3 51.3 -57.9 -40.2 67.0 111.3 156.9 109 116 A Q H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 109.5 49.7 -63.8 -43.2 65.2 108.3 155.4 110 117 A H H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.932 111.6 48.5 -60.9 -46.1 62.6 110.4 153.7 111 118 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.890 110.8 51.2 -61.9 -40.9 65.3 112.6 152.2 112 119 A A H X S+ 0 0 24 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.904 110.4 48.7 -61.3 -44.8 67.3 109.6 151.0 113 120 A R H X S+ 0 0 71 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.898 109.1 53.0 -62.5 -43.0 64.2 108.1 149.3 114 121 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.916 108.7 50.0 -58.4 -45.2 63.4 111.4 147.6 115 122 A V H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.926 109.3 51.3 -61.4 -44.3 66.9 111.5 146.1 116 123 A E H X S+ 0 0 108 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.912 110.1 50.9 -57.0 -42.9 66.6 107.9 144.9 117 124 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.938 112.8 43.5 -61.2 -49.1 63.3 108.9 143.2 118 125 A Y H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.842 111.6 54.5 -68.9 -32.8 64.8 111.9 141.4 119 126 A L H X S+ 0 0 55 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.942 110.3 47.4 -61.8 -46.1 67.9 110.0 140.4 120 127 A Y H X S+ 0 0 18 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.935 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