==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 08-JUN-10 2XGW . COMPND 2 MOLECULE: PEROXIDE RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR T.HAIKARAINEN,C.-C.TSOU,J.-J.WU,A.C.PAPAGEORGIOU . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 74.7 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 . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 68.1 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 0 0 1 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 4 A T > 0 0 106 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 159.1 73.1 100.2 132.5 2 5 A L H > + 0 0 76 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.881 360.0 59.5 -58.4 -39.9 69.5 101.0 133.5 3 6 A V H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.936 106.1 46.0 -57.0 -49.9 69.2 103.0 130.2 4 7 A E H > S+ 0 0 127 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.920 114.2 49.0 -57.8 -44.2 70.0 99.9 128.2 5 8 A N H X S+ 0 0 99 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.912 111.1 48.4 -64.6 -43.2 67.5 97.8 130.2 6 9 A I H X S+ 0 0 0 -4,-3.2 4,-3.3 2,-0.2 5,-0.2 0.936 113.4 48.8 -60.6 -46.5 64.7 100.4 129.9 7 10 A Y H X S+ 0 0 65 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.949 112.1 47.7 -57.5 -53.1 65.4 100.5 126.1 8 11 A A H X S+ 0 0 56 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.924 116.1 45.3 -52.8 -47.3 65.3 96.8 125.8 9 12 A S H >X S+ 0 0 57 -4,-2.8 3,-0.6 1,-0.2 4,-0.6 0.910 113.1 48.4 -67.5 -43.8 62.1 96.6 127.9 10 13 A V H 3< S+ 0 0 12 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.862 117.8 40.2 -62.5 -39.7 60.3 99.4 126.1 11 14 A T H 3< S+ 0 0 41 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.351 92.8 87.3-100.6 5.3 61.1 98.1 122.6 12 15 A H H << 0 0 79 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 0.983 360.0 360.0 -62.3 -58.0 60.6 94.4 123.3 13 16 A N < 0 0 143 -4,-0.6 -2,-0.1 -3,-0.2 -3,-0.1 0.856 360.0 360.0 -78.6 360.0 56.8 94.3 122.6 14 ! 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 15 23 A S > 0 0 108 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 148.8 55.0 102.0 112.0 16 24 A K T 3 + 0 0 89 1,-0.3 3,-0.1 2,-0.1 4,-0.1 0.632 360.0 31.9 -64.9 -20.7 57.4 104.9 111.8 17 25 A N T 3> S+ 0 0 37 1,-0.1 4,-2.3 61,-0.1 -1,-0.3 -0.003 77.3 121.8-127.0 30.9 57.0 106.1 115.4 18 26 A E H <> S+ 0 0 92 -3,-1.6 4,-2.1 1,-0.2 -2,-0.1 0.860 78.6 47.5 -62.1 -41.0 56.3 102.8 117.3 19 27 A K H > S+ 0 0 58 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.860 110.6 51.8 -72.7 -35.7 59.2 103.1 119.7 20 28 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.921 111.6 48.0 -63.3 -44.1 58.4 106.7 120.5 21 29 A K H X S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.910 112.0 49.8 -61.5 -42.2 54.8 105.7 121.3 22 30 A A H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 112.1 46.2 -64.6 -44.0 56.1 102.9 123.5 23 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.916 112.4 51.2 -69.1 -38.4 58.5 105.1 125.4 24 32 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.929 111.4 48.0 -60.0 -43.0 55.8 107.7 125.9 25 33 A N H X S+ 0 0 23 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.873 107.4 54.8 -68.3 -35.1 53.4 105.1 127.2 26 34 A Q H X S+ 0 0 13 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.931 107.9 50.8 -58.7 -44.4 56.1 103.8 129.5 27 35 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.869 104.5 57.9 -61.7 -36.7 56.4 107.3 130.9 28 36 A V H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.954 111.8 40.9 -55.1 -51.3 52.6 107.5 131.4 29 37 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.930 118.4 46.0 -63.5 -47.4 52.8 104.4 133.6 30 38 A D H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.860 111.0 50.9 -70.0 -38.0 55.9 105.6 135.4 31 39 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.879 110.1 52.0 -63.7 -37.6 54.8 109.2 136.0 32 40 A S H X S+ 0 0 17 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.924 113.6 42.0 -65.9 -43.0 51.6 107.8 137.5 33 41 A V H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.919 112.4 54.5 -70.3 -41.3 53.4 105.5 139.9 34 42 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.906 107.6 50.9 -56.6 -42.0 56.0 108.3 140.7 35 43 A A H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.912 109.5 50.3 -62.9 -42.5 53.1 110.6 141.6 36 44 A S H X S+ 0 0 54 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.925 111.1 48.9 -59.4 -44.7 51.6 107.9 143.9 37 45 A I H X S+ 0 0 3 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.900 111.3 49.4 -62.2 -43.0 55.1 107.5 145.6 38 46 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.924 109.2 52.4 -65.1 -42.6 55.5 111.2 146.1 39 47 A H H X S+ 0 0 57 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.895 105.1 56.1 -59.8 -40.6 52.0 111.4 147.6 40 48 A Q H X S+ 0 0 41 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.909 108.4 46.8 -60.1 -41.1 52.9 108.6 150.0 41 49 A V H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.920 108.8 55.8 -62.5 -47.0 55.9 110.7 151.2 42 50 A H H < S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.886 119.0 33.1 -48.7 -43.6 53.6 113.8 151.5 43 51 A W H < S+ 0 0 148 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.890 123.0 39.0 -86.0 -42.6 51.3 111.8 153.8 44 52 A Y H < S+ 0 0 62 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.609 81.8 119.7 -91.9 -13.9 53.5 109.4 155.8 45 53 A M < + 0 0 6 -4,-1.8 2,-0.3 -5,-0.3 60,-0.1 -0.225 33.0 174.6 -58.4 138.3 56.5 111.6 156.5 46 54 A R + 0 0 155 58,-0.5 60,-0.3 56,-0.1 -2,-0.0 -0.988 32.2 68.7-139.9 139.0 57.4 112.3 160.1 47 55 A G S > S- 0 0 33 -2,-0.3 3,-2.1 58,-0.1 58,-0.0 -0.584 85.8 -41.1 136.5 163.1 60.5 114.1 161.4 48 56 A P T 3 S+ 0 0 128 0, 0.0 -2,-0.1 0, 0.0 58,-0.1 -0.255 123.1 36.3 -54.6 134.1 62.2 117.5 161.5 49 57 A G T >> S+ 0 0 19 4,-0.0 4,-2.7 57,-0.0 3,-1.8 0.188 76.8 120.8 103.9 -15.8 61.8 119.3 158.2 50 58 A F H <> + 0 0 63 -3,-2.1 4,-3.3 1,-0.3 -5,-0.1 0.856 66.6 64.9 -43.8 -41.2 58.3 118.0 157.6 51 59 A L H 34 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.717 116.0 25.6 -70.5 -18.8 56.9 121.6 157.5 52 60 A Y H <> S+ 0 0 123 -3,-1.8 4,-1.4 2,-0.1 -1,-0.2 0.650 122.1 54.2-107.0 -22.2 58.9 122.4 154.4 53 61 A L H X S+ 0 0 6 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.890 102.7 58.2 -76.1 -37.8 59.2 118.9 152.9 54 62 A H H X S+ 0 0 56 -4,-3.3 4,-1.1 -5,-0.3 3,-0.5 0.959 111.2 39.4 -58.5 -54.4 55.5 118.2 153.0 55 63 A P H > S+ 0 0 59 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.866 109.6 62.5 -66.9 -29.8 54.6 121.2 150.8 56 64 A K H X S+ 0 0 59 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.878 98.6 56.9 -56.2 -37.0 57.6 120.4 148.7 57 65 A M H X S+ 0 0 1 -4,-1.9 4,-2.9 -3,-0.5 -1,-0.2 0.878 103.4 52.4 -63.2 -37.6 56.0 117.0 147.9 58 66 A D H X S+ 0 0 59 -4,-1.1 4,-2.8 -3,-0.3 -1,-0.2 0.871 109.1 50.4 -67.3 -32.9 52.9 118.9 146.5 59 67 A E H X S+ 0 0 115 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.920 113.1 45.0 -66.5 -43.3 55.2 120.9 144.2 60 68 A L H X S+ 0 0 8 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.922 114.0 51.0 -64.9 -42.5 56.9 117.8 143.0 61 69 A L H X S+ 0 0 14 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.934 107.6 51.6 -59.3 -49.2 53.4 116.1 142.6 62 70 A D H X S+ 0 0 107 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.906 112.7 46.5 -56.2 -43.6 52.1 119.1 140.6 63 71 A S H X S+ 0 0 46 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.926 111.0 50.7 -66.1 -45.6 55.0 118.9 138.2 64 72 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.929 112.6 48.0 -56.6 -43.3 54.8 115.1 137.9 65 73 A N H X S+ 0 0 68 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.868 110.2 50.7 -69.6 -34.2 51.1 115.5 137.0 66 74 A A H X S+ 0 0 61 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.941 111.5 49.2 -64.3 -43.9 51.8 118.2 134.5 67 75 A N H X S+ 0 0 20 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.927 110.1 52.4 -56.0 -47.1 54.4 115.9 133.0 68 76 A L H X S+ 0 0 36 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.931 110.4 45.2 -57.4 -52.1 51.8 113.1 132.9 69 77 A D H X S+ 0 0 91 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.921 116.0 47.5 -61.0 -41.4 49.2 115.1 131.1 70 78 A E H X S+ 0 0 109 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.918 114.0 45.8 -67.1 -43.6 51.7 116.4 128.6 71 79 A V H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.921 115.2 47.1 -62.4 -47.7 53.3 113.0 127.9 72 80 A S H X S+ 0 0 18 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.928 113.3 47.4 -67.2 -41.2 49.9 111.4 127.5 73 81 A E H X S+ 0 0 104 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.874 111.4 52.2 -67.6 -34.1 48.5 114.1 125.2 74 82 A R H X S+ 0 0 70 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.926 109.0 50.3 -62.4 -43.4 51.7 114.0 123.2 75 83 A L H <>S+ 0 0 1 -4,-2.6 5,-2.9 1,-0.2 -2,-0.2 0.938 113.0 45.4 -59.4 -47.8 51.2 110.2 122.9 76 84 A I H ><5S+ 0 0 92 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.933 110.5 55.4 -58.5 -46.6 47.6 110.7 121.7 77 85 A T H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.824 106.8 49.3 -58.5 -37.1 48.7 113.5 119.3 78 86 A I T 3<5S- 0 0 28 -4,-2.0 -1,-0.3 -3,-0.1 -2,-0.2 0.299 130.4 -90.0 -92.3 8.8 51.2 111.3 117.6 79 87 A G T < 5S+ 0 0 55 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.589 85.7 121.1 100.6 15.5 48.6 108.5 117.1 80 88 A G < - 0 0 20 -5,-2.9 -1,-0.2 -6,-0.2 -58,-0.0 -0.258 57.2-125.0 -99.0-168.3 49.0 106.3 120.2 81 89 A A - 0 0 78 -2,-0.1 3,-0.1 -60,-0.1 2,-0.1 -0.919 25.6-142.1-142.6 101.6 46.8 105.2 123.1 82 90 A P - 0 0 27 0, 0.0 -57,-0.1 0, 0.0 -56,-0.0 -0.374 26.4-101.7 -71.3 148.0 48.0 106.0 126.7 83 91 A Y + 0 0 41 -58,-0.2 3,-0.0 1,-0.1 -11,-0.0 -0.386 43.8 175.7 -55.6 145.3 47.5 103.7 129.6 84 92 A S + 0 0 93 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.078 44.9 75.7-155.6 26.9 44.5 105.1 131.5 85 93 A T S > S- 0 0 66 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.981 76.7-122.6-139.1 154.5 43.7 102.8 134.3 86 94 A L H > S+ 0 0 141 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.889 113.1 54.8 -63.2 -39.2 45.4 102.2 137.7 87 95 A A H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 108.6 48.6 -62.9 -38.5 46.0 98.5 136.9 88 96 A E H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.925 112.0 49.1 -65.3 -42.9 47.7 99.4 133.7 89 97 A F H X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.955 114.3 45.2 -58.1 -48.8 50.0 102.0 135.4 90 98 A S H < S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 116.5 44.7 -68.6 -35.5 50.9 99.5 138.2 91 99 A K H < S+ 0 0 164 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.888 120.6 37.4 -74.4 -42.4 51.6 96.6 135.8 92 100 A H H < S+ 0 0 62 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.735 93.2 98.6 -88.9 -19.3 53.6 98.5 133.2 93 101 A S < - 0 0 12 -4,-2.2 -66,-0.1 -5,-0.3 -67,-0.0 -0.374 62.0-149.6 -66.4 145.1 55.5 100.8 135.5 94 102 A K S S+ 0 0 76 -68,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.400 74.0 94.2 -92.6 2.5 59.1 99.8 136.3 95 103 A L - 0 0 14 -66,-0.0 2,-0.3 24,-0.0 -2,-0.1 -0.772 68.3-144.6 -92.9 137.0 58.7 101.6 139.7 96 104 A D - 0 0 128 -2,-0.4 2,-0.3 -63,-0.0 -2,-0.1 -0.741 8.6-153.2 -97.3 153.0 57.7 99.5 142.7 97 105 A E - 0 0 84 -2,-0.3 2,-0.3 -7,-0.1 -63,-0.0 -0.896 3.9-159.5-119.7 152.9 55.5 100.7 145.5 98 106 A A - 0 0 59 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.935 37.1 -86.1-125.1 155.0 55.3 99.6 149.1 99 107 A K - 0 0 189 -2,-0.3 2,-0.0 1,-0.1 -1,-0.0 -0.277 55.6-103.0 -53.0 136.7 52.5 100.0 151.6 100 108 A G + 0 0 24 2,-0.0 2,-0.3 3,-0.0 -1,-0.1 -0.351 43.3 180.0 -63.3 143.6 52.8 103.3 153.4 101 109 A T > - 0 0 47 -3,-0.1 3,-1.0 -61,-0.1 -57,-0.1 -0.986 31.0-142.2-146.5 138.9 54.2 103.3 156.9 102 110 A Y T 3 S+ 0 0 111 -2,-0.3 -56,-0.1 1,-0.2 -1,-0.0 0.569 93.7 74.3 -73.5 -9.1 54.8 106.2 159.4 103 111 A D T 3 + 0 0 126 -58,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.477 65.7 109.1 -92.1 1.1 58.1 104.6 160.6 104 112 A K S < S- 0 0 64 -3,-1.0 -58,-0.5 -60,-0.1 2,-0.1 -0.536 70.7-125.4 -67.3 140.4 60.1 105.5 157.5 105 113 A T > - 0 0 71 -2,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.423 18.6-109.7 -84.1 163.6 62.6 108.2 158.3 106 114 A V H > S+ 0 0 28 -60,-0.3 4,-2.6 1,-0.2 5,-0.2 0.922 121.8 56.3 -57.1 -42.9 62.9 111.5 156.4 107 115 A A H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 105.7 50.4 -57.9 -40.1 66.3 110.2 155.1 108 116 A Q H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 109.6 50.1 -66.0 -41.1 64.5 107.1 153.7 109 117 A H H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.935 111.7 48.7 -61.7 -43.8 61.9 109.2 152.0 110 118 A L H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.891 111.1 49.3 -63.8 -41.0 64.6 111.4 150.4 111 119 A A H X S+ 0 0 26 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.898 110.9 50.5 -64.0 -43.5 66.6 108.4 149.2 112 120 A R H X S+ 0 0 68 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.937 110.2 49.3 -60.3 -46.9 63.4 106.9 147.7 113 121 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.928 109.5 52.2 -58.0 -45.6 62.6 110.2 145.8 114 122 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.925 109.4 49.7 -57.6 -43.0 66.1 110.4 144.5 115 123 A E H X S+ 0 0 111 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.910 109.9 51.4 -63.7 -39.1 65.8 106.8 143.2 116 124 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.951 113.2 43.7 -61.1 -49.9 62.4 107.7 141.5 117 125 A Y H X S+ 0 0 10 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.846 111.5 53.6 -66.6 -34.8 63.9 110.8 139.8 118 126 A L H X S+ 0 0 53 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.919 111.2 47.7 -62.4 -43.0 67.1 108.8 138.8 119 127 A Y H X S+ 0 0 16 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.936 112.4 48.0 -61.1 -48.1 64.8 106.3 137.2 120 128 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.934 109.9 52.2 -61.4 -43.4 62.7 108.9 135.4 121 129 A S H X S+ 0 0 7 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.878 111.1 48.0 -61.6 -34.8 65.9 110.7 134.1 122 130 A S H X S+ 0 0 23 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.915 110.6 50.7 -71.2 -41.2 67.1 107.4 132.7 123 131 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.909 110.2 50.5 -57.0 -43.7 63.7 106.7 131.1 124 132 A Y H X S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.890 105.5 55.6 -67.5 -34.1 63.8 110.1 129.6 125 133 A Q H X S+ 0 0 57 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.929 107.8 49.1 -61.0 -44.4 67.3 109.4 128.2 126 134 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.920 109.2 53.2 -57.5 -42.9 65.8 106.4 126.5 127 135 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.894 108.4 50.3 -58.3 -41.0 63.1 108.7 125.2 128 136 A L H X S+ 0 0 23 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.943 112.4 45.8 -61.4 -48.1 65.9 111.0 123.8 129 137 A D H X S+ 0 0 67 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.928 115.9 45.7 -60.9 -47.7 67.6 108.1 122.0 130 138 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -110,-0.2 0.923 113.4 47.8 -64.1 -47.4 64.4 106.7 120.6 131 139 A T H X>S+ 0 0 1 -4,-2.6 5,-2.3 -5,-0.2 4,-0.7 0.829 112.5 50.3 -67.4 -33.0 63.0 110.1 119.4 132 140 A D H <5S+ 0 0 112 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.926 111.8 48.3 -63.3 -48.2 66.4 110.9 117.8 133 141 A E H <5S+ 0 0 106 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.915 118.6 39.5 -59.4 -43.5 66.4 107.5 116.1 134 142 A E H <5S- 0 0 46 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.497 110.0-119.8 -91.4 -0.7 62.8 108.0 114.9 135 143 A G T <5 + 0 0 63 -4,-0.7 2,-1.0 -3,-0.5 -3,-0.2 0.805 59.7 147.8 74.1 28.9 63.1 111.7 114.0 136 144 A D >< + 0 0 21 -5,-2.3 4,-2.1 1,-0.2 -1,-0.2 -0.754 15.6 172.6 -99.8 88.5 60.4 113.0 116.4 137 145 A A H > S+ 0 0 71 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.840 74.6 55.0 -65.1 -37.2 61.8 116.4 117.4 138 146 A G H > S+ 0 0 38 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 112.2 41.8 -65.7 -44.6 58.7 117.5 119.3 139 147 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.846 111.3 57.5 -72.2 -32.3 58.8 114.4 121.6 140 148 A N H X S+ 0 0 23 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.903 106.2 49.5 -60.3 -42.5 62.5 114.8 121.9 141 149 A D H X S+ 0 0 112 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.892 108.7 53.2 -63.7 -39.5 62.0 118.3 123.2 142 150 A L H X S+ 0 0 15 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.958 112.6 43.5 -58.7 -51.7 59.4 117.0 125.7 143 151 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.823 110.8 56.2 -63.3 -34.5 61.9 114.4 127.0 144 152 A T H X S+ 0 0 55 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.952 110.7 43.1 -62.7 -50.2 64.8 116.9 127.1 145 153 A A H X S+ 0 0 64 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.895 115.5 49.1 -63.0 -41.1 62.8 119.3 129.3 146 154 A A H X S+ 0 0 4 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.901 112.9 47.4 -67.3 -40.0 61.6 116.5 131.6 147 155 A K H X S+ 0 0 27 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.932 111.2 50.8 -64.6 -44.1 65.1 115.0 131.9 148 156 A T H X S+ 0 0 82 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.889 113.4 45.2 -60.5 -42.5 66.6 118.5 132.7 149 157 A E H X S+ 0 0 74 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.897 112.6 51.5 -68.6 -42.0 64.0 119.1 135.4 150 158 A A H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 110.6 49.0 -59.6 -46.1 64.5 115.5 136.8 151 159 A E H X S+ 0 0 76 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.894 110.9 49.1 -62.4 -42.7 68.2 116.1 137.0 152 160 A K H X S+ 0 0 127 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.921 110.4 51.7 -61.5 -43.7 67.8 119.4 138.7 153 161 A T H X S+ 0 0 16 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.911 108.6 51.2 -59.5 -43.1 65.4 117.8 141.2 154 162 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.951 108.7 51.4 -58.1 -48.8 68.0 115.0 141.8 155 163 A W H X S+ 0 0 132 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.945 114.0 43.7 -54.0 -48.2 70.7 117.7 142.5 156 164 A M H X S+ 0 0 84 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.891 115.3 46.1 -68.2 -41.5 68.4 119.5 145.0 157 165 A L H X S+ 0 0 7 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.903 113.2 51.2 -67.0 -42.1 67.1 116.4 146.8 158 166 A Q H <>S+ 0 0 8 -4,-3.0 5,-2.9 -5,-0.3 3,-0.3 0.915 108.9 51.8 -58.4 -43.3 70.7 115.1 147.0 159 167 A A H ><5S+ 0 0 51 -4,-2.4 3,-2.0 -5,-0.3 -2,-0.2 0.910 105.6 53.5 -60.9 -43.7 71.8 118.4 148.5 160 168 A E H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.3 51.9 -57.8 -34.0 69.1 118.1 151.1 161 169 A R T 3<5S- 0 0 83 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.439 122.1-110.2 -79.5 -2.0 70.6 114.7 151.9 162 170 A G T < 5S+ 0 0 72 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.640 82.2 115.3 80.3 17.0 74.1 116.3 152.3 163 171 A Q < - 0 0 90 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.2 -0.764 68.1-108.6-117.8 161.3 75.2 114.6 149.1 164 172 A G - 0 0 46 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.323 44.2 -98.0 -75.5 167.8 76.4 115.5 145.6 165 173 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.815 42.9-175.2 -62.9 -31.8 74.1 114.8 142.5 166 174 A A 0 0 88 1,-0.1 -2,-0.0 -11,-0.0 -11,-0.0 0.786 360.0 360.0 43.7 34.0 76.0 111.6 141.6 167 175 A L 0 0 94 -16,-0.1 -1,-0.1 -49,-0.0 -16,-0.0 0.927 360.0 360.0 -84.8 360.0 73.7 111.4 138.5