==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 28-JUL-12 4GBY . COMPND 2 MOLECULE: D-XYLOSE-PROTON SYMPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.F.SUN,X.ZENG,C.Y.YAN,N.YAN . 475 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 83.8 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 . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 3.6 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 4 0 1 2 0 2 1 0 0 1 2 1 0 0 1 0 3 0 0 2 0 0 0 2 0 1 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 5 A Y 0 0 93 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 34.3 35.8 -46.4 12.3 2 6 A N + 0 0 120 3,-0.1 237,-0.1 238,-0.1 236,-0.0 -0.305 360.0 9.4-121.8 42.1 32.5 -48.3 12.3 3 7 A S S > S+ 0 0 69 237,-0.0 4,-2.3 0, 0.0 5,-0.2 -0.095 120.4 66.9-179.4 -55.3 30.7 -45.0 12.7 4 8 A S H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.788 98.7 62.2 -50.5 -29.9 33.5 -42.4 12.1 5 9 A Y H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.972 103.4 43.4 -62.3 -58.3 33.4 -43.7 8.6 6 10 A I H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.875 117.8 48.4 -57.6 -36.9 29.9 -42.8 7.8 7 11 A F H X S+ 0 0 107 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.962 112.0 46.0 -66.8 -52.3 30.5 -39.4 9.5 8 12 A S H X S+ 0 0 71 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.878 117.8 45.8 -59.6 -39.6 33.7 -38.6 7.7 9 13 A I H >X S+ 0 0 4 -4,-2.6 4,-2.3 -5,-0.2 3,-0.9 0.981 111.7 48.2 -65.6 -61.1 32.1 -39.7 4.4 10 14 A T H 3X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.886 109.4 55.6 -46.3 -45.4 28.8 -37.8 4.8 11 15 A L H 3< S+ 0 0 92 -4,-2.7 4,-0.4 1,-0.2 -1,-0.3 0.849 107.2 48.8 -60.8 -34.4 30.8 -34.6 5.8 12 16 A V H X< S+ 0 0 11 -4,-1.1 3,-1.1 -3,-0.9 4,-0.3 0.908 110.4 50.6 -75.1 -37.7 32.7 -34.8 2.5 13 17 A A H >X S+ 0 0 2 -4,-2.3 3,-2.3 1,-0.2 4,-0.6 0.874 99.2 67.6 -60.4 -37.8 29.6 -35.3 0.5 14 18 A T H 3X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.659 80.2 75.7 -63.8 -15.1 28.1 -32.2 2.3 15 19 A L H <> S+ 0 0 31 -3,-1.1 4,-2.8 -4,-0.4 -1,-0.3 0.795 87.4 63.7 -66.0 -25.1 30.6 -30.0 0.5 16 20 A G H <> S+ 0 0 0 -3,-2.3 4,-2.1 -4,-0.3 -1,-0.2 0.990 107.4 40.4 -50.1 -61.0 28.3 -30.5 -2.4 17 21 A G H X S+ 0 0 0 -4,-0.6 4,-2.7 1,-0.2 5,-0.2 0.863 112.5 56.2 -55.1 -41.6 25.6 -28.8 -0.4 18 22 A L H X S+ 0 0 14 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.935 111.2 43.3 -55.3 -49.6 28.1 -26.2 0.9 19 23 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.811 109.2 58.3 -71.1 -32.2 29.0 -25.3 -2.7 20 24 A F H X S+ 0 0 18 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.996 113.5 37.8 -55.9 -64.6 25.4 -25.3 -3.7 21 25 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.907 117.0 53.6 -54.6 -44.7 24.6 -22.6 -1.1 22 26 A Y H X S+ 0 0 7 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.894 109.5 44.7 -60.9 -46.2 27.8 -20.8 -1.7 23 27 A D H X S+ 0 0 1 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.882 114.5 48.3 -73.8 -35.1 27.5 -20.4 -5.5 24 28 A T H < S+ 0 0 22 -4,-2.3 3,-0.3 -5,-0.3 4,-0.2 0.932 117.5 43.7 -65.8 -39.7 23.9 -19.3 -5.3 25 29 A A H >< S+ 0 0 5 -4,-2.5 3,-1.6 -5,-0.3 4,-0.4 0.816 95.3 72.5 -77.4 -35.0 24.7 -16.8 -2.6 26 30 A V H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.867 88.2 63.8 -44.7 -46.2 28.0 -15.1 -3.8 27 31 A I G >X S+ 0 0 7 -4,-0.6 3,-1.7 1,-0.3 4,-0.5 0.736 87.3 70.7 -64.1 -21.5 26.4 -13.1 -6.5 28 32 A S G <4 S+ 0 0 55 -3,-1.6 3,-0.4 1,-0.3 -1,-0.3 0.777 95.8 53.2 -66.2 -27.4 24.3 -11.1 -4.0 29 33 A G G <4 S+ 0 0 31 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.261 109.2 50.1 -88.9 14.5 27.4 -9.2 -2.8 30 34 A T T <> S+ 0 0 1 -3,-1.7 4,-2.7 -4,-0.1 3,-0.3 0.455 74.0 106.7-125.7 -6.7 28.4 -8.2 -6.4 31 35 A V H X S+ 0 0 33 -4,-0.5 4,-2.2 -3,-0.4 5,-0.1 0.822 82.1 44.1 -54.3 -48.3 25.1 -6.7 -7.8 32 36 A E H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.889 114.5 51.5 -65.7 -37.9 26.1 -3.0 -7.8 33 37 A S H > S+ 0 0 3 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.932 109.9 49.1 -60.8 -46.8 29.5 -3.9 -9.2 34 38 A L H X>S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-1.7 0.899 111.2 51.6 -57.4 -42.3 27.9 -5.9 -12.0 35 39 A N H <>S+ 0 0 43 -4,-2.2 5,-4.9 -5,-0.3 -2,-0.2 0.936 113.6 41.3 -63.8 -45.8 25.6 -2.9 -12.6 36 40 A T H <5S+ 0 0 48 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.873 126.3 35.2 -68.0 -32.7 28.5 -0.4 -12.8 37 41 A V H <5S+ 0 0 0 -4,-2.5 82,-0.3 -5,-0.2 -2,-0.2 0.856 133.7 15.1 -95.4 -42.9 30.7 -2.7 -14.9 38 42 A F T <5S+ 0 0 0 -4,-2.8 -3,-0.2 -5,-0.3 84,-0.1 0.755 133.6 33.8-100.3 -36.2 28.5 -4.9 -17.2 39 43 A V T > - 0 0 80 -2,-0.2 4,-3.5 1,-0.1 5,-0.2 -0.298 44.1-111.2 -54.3 151.2 16.4 2.3 -20.5 46 50 A E H > S+ 0 0 161 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.890 121.0 49.7 -59.7 -38.3 16.0 1.8 -16.7 47 51 A S H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.981 114.6 42.2 -58.6 -59.3 13.5 -1.0 -17.5 48 52 A A H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.895 113.4 53.7 -57.2 -42.1 15.9 -2.7 -19.9 49 53 A A H X S+ 0 0 16 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.898 108.2 50.0 -59.0 -42.7 18.9 -2.1 -17.7 50 54 A N H X S+ 0 0 93 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.849 108.7 52.0 -65.1 -39.8 17.0 -3.8 -14.8 51 55 A S H X S+ 0 0 43 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.905 111.1 48.5 -58.0 -45.7 16.1 -6.8 -16.9 52 56 A L H X S+ 0 0 41 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.914 113.7 44.3 -67.3 -43.6 19.8 -7.2 -17.9 53 57 A L H X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.967 114.8 50.1 -65.9 -50.5 21.1 -6.9 -14.3 54 58 A G H X S+ 0 0 24 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.957 111.3 48.5 -44.8 -61.5 18.4 -9.3 -13.1 55 59 A F H X S+ 0 0 65 -4,-3.0 4,-1.4 1,-0.3 -1,-0.2 0.880 108.2 53.2 -53.2 -47.1 19.1 -11.8 -15.8 56 60 A C H >< S+ 0 0 2 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.939 113.0 45.9 -51.1 -46.7 22.9 -11.7 -15.1 57 61 A V H 3< S+ 0 0 47 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.820 119.3 40.1 -65.5 -30.9 22.0 -12.4 -11.4 58 62 A A H >< S+ 0 0 14 -4,-2.1 3,-1.8 -5,-0.2 4,-0.4 0.499 86.8 95.8 -97.7 -5.3 19.6 -15.2 -12.3 59 63 A S T XX S+ 0 0 0 -4,-1.4 3,-1.9 -3,-0.6 4,-1.1 0.833 71.5 66.8 -65.7 -33.9 21.5 -16.9 -15.1 60 64 A A H 3> S+ 0 0 7 -4,-0.4 4,-2.3 1,-0.3 -1,-0.3 0.761 88.6 70.2 -55.9 -24.8 23.1 -19.6 -13.0 61 65 A L H <> S+ 0 0 15 -3,-1.8 4,-2.2 2,-0.2 -1,-0.3 0.843 93.4 55.1 -63.4 -30.4 19.6 -21.0 -12.5 62 66 A I H <> S+ 0 0 48 -3,-1.9 4,-2.6 -4,-0.4 -1,-0.2 0.955 108.5 48.5 -64.5 -46.4 19.6 -22.0 -16.2 63 67 A G H X S+ 0 0 0 -4,-1.1 4,-3.2 1,-0.2 -2,-0.2 0.904 108.0 55.8 -52.1 -44.5 22.8 -23.9 -15.3 64 68 A C H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.888 107.5 47.8 -60.3 -41.9 21.0 -25.4 -12.3 65 69 A I H X S+ 0 0 37 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.951 113.2 47.1 -64.0 -51.1 18.3 -26.7 -14.5 66 70 A I H X S+ 0 0 73 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.963 111.9 52.0 -55.0 -55.5 20.8 -28.2 -17.0 67 71 A G H X S+ 0 0 0 -4,-3.2 4,-0.9 1,-0.2 -1,-0.2 0.884 109.1 48.8 -45.1 -51.9 22.8 -29.8 -14.2 68 72 A G H >X S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.927 113.1 47.7 -59.4 -43.5 19.8 -31.4 -12.6 69 73 A A H >< S+ 0 0 58 -4,-2.4 3,-0.7 1,-0.2 4,-0.5 0.909 112.3 47.8 -67.9 -37.5 18.7 -32.9 -15.9 70 74 A L H 3X S+ 0 0 86 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.578 91.6 88.1 -75.2 -10.8 22.3 -34.2 -16.7 71 75 A G H > S+ 0 0 140 -4,-0.5 4,-2.8 1,-0.2 3,-0.7 0.958 117.9 43.0 -50.2 -63.0 23.3 -39.5 -17.1 74 78 A C H 3X>S+ 0 0 16 -4,-2.7 4,-2.3 1,-0.2 5,-1.1 0.920 109.4 57.9 -50.5 -47.4 26.3 -38.6 -15.0 75 79 A S H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 5,-0.2 0.844 116.5 36.0 -56.5 -36.1 25.1 -40.5 -12.0 76 80 A N H <<5S+ 0 0 55 -4,-2.0 -1,-0.2 -3,-0.7 -2,-0.2 0.865 119.5 45.3 -83.3 -39.6 25.0 -43.6 -14.2 77 81 A R H <5S+ 0 0 147 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.941 134.7 11.5 -70.9 -49.9 28.1 -43.1 -16.4 78 82 A F T <5S- 0 0 63 -4,-2.3 4,-0.5 -5,-0.2 -3,-0.2 0.524 107.1-122.8-106.9 -12.2 30.6 -42.0 -13.9 79 83 A G >< - 0 0 2 -5,-1.1 4,-1.9 3,-0.1 -1,-0.2 -0.054 37.1 -66.8 80.6 167.1 28.7 -42.8 -10.7 80 84 A R H > S+ 0 0 8 -5,-0.2 4,-2.1 1,-0.2 5,-0.2 0.945 127.2 44.5 -54.8 -63.2 27.8 -40.5 -7.9 81 85 A R H > S+ 0 0 39 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.846 115.8 45.6 -55.3 -44.2 31.2 -39.6 -6.4 82 86 A D H > S+ 0 0 54 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.835 107.9 58.0 -78.1 -29.8 33.0 -39.0 -9.7 83 87 A S H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.908 103.8 53.5 -59.8 -42.2 30.0 -37.0 -10.9 84 88 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.767 104.6 55.1 -60.5 -27.4 30.7 -34.8 -7.8 85 89 A K H X S+ 0 0 26 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.900 107.6 48.6 -72.1 -40.4 34.3 -34.5 -9.0 86 90 A I H X S+ 0 0 57 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.953 111.8 51.1 -58.3 -46.6 33.0 -33.2 -12.3 87 91 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.941 107.5 51.1 -55.3 -55.1 30.8 -30.8 -10.3 88 92 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.905 110.1 50.3 -49.6 -47.3 33.7 -29.5 -8.2 89 93 A V H X S+ 0 0 63 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.918 110.0 50.2 -59.0 -44.7 35.7 -28.8 -11.5 90 94 A L H X S+ 0 0 35 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.911 109.8 50.9 -57.5 -47.4 32.6 -27.0 -12.9 91 95 A F H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.913 111.8 48.7 -51.6 -46.6 32.5 -24.9 -9.7 92 96 A F H X S+ 0 0 85 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.937 111.3 46.2 -66.6 -50.8 36.2 -24.1 -10.0 93 97 A I H >X S+ 0 0 73 -4,-2.8 4,-2.9 2,-0.2 3,-0.7 0.951 114.1 51.0 -54.9 -50.4 36.1 -23.1 -13.7 94 98 A S H 3X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.3 5,-0.3 0.919 106.1 54.4 -52.5 -52.3 33.0 -21.0 -12.9 95 99 A G H 3X S+ 0 0 1 -4,-2.7 4,-0.7 2,-0.2 -1,-0.3 0.789 113.7 42.8 -54.5 -31.8 34.8 -19.3 -9.9 96 100 A V H < + 0 0 65 -4,-3.2 3,-3.0 1,-0.1 -1,-0.2 -0.429 65.8 161.5-122.4 61.8 37.8 -12.8 -14.8 101 105 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.622 78.8 57.4 -59.7 -12.1 35.3 -13.3 -17.7 102 106 A E T >> S+ 0 0 0 -3,-0.1 3,-2.1 1,-0.1 4,-2.0 0.485 76.3 125.3 -92.6 -3.9 37.8 -11.4 -20.0 103 107 A L T <4 S+ 0 0 90 -3,-3.0 3,-0.4 1,-0.3 -1,-0.1 0.718 77.2 21.0 -25.8 -89.0 40.7 -13.9 -19.3 104 108 A G T 34 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.468 124.0 60.9 -68.9 4.4 42.0 -15.2 -22.7 105 109 A F T <4 S- 0 0 136 -3,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.854 112.3 -17.1-103.0 -44.6 40.5 -12.3 -24.5 106 110 A T S < S- 0 0 66 -4,-2.0 -1,-0.3 -3,-0.4 2,-0.2 -0.914 79.5 -67.0-153.7 178.2 42.1 -9.1 -23.2 107 111 A S - 0 0 82 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.0 -0.488 47.6-118.4 -79.5 146.0 44.1 -7.6 -20.3 108 112 A I S S- 0 0 61 1,-0.3 4,-0.1 -2,-0.2 -1,-0.1 -0.737 83.4 -16.8 -93.2 120.3 42.5 -7.3 -16.8 109 113 A N S > S- 0 0 23 -2,-0.5 3,-1.2 2,-0.1 -1,-0.3 0.975 73.9-161.5 50.7 69.4 42.2 -3.8 -15.3 110 114 A P T 3 S+ 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.837 83.4 13.0 -53.3 -47.9 44.6 -2.1 -17.7 111 115 A D T 3 S- 0 0 145 2,-0.1 3,-0.1 3,-0.1 -2,-0.1 -0.053 113.9 -95.7-120.7 34.1 45.3 1.1 -15.6 112 116 A N S < S+ 0 0 121 -3,-1.2 2,-0.2 1,-0.2 -3,-0.1 0.715 87.8 132.1 58.4 23.3 43.8 -0.1 -12.3 113 117 A T S S- 0 0 74 1,-0.1 -1,-0.2 79,-0.1 -2,-0.1 -0.605 72.5 -72.4 -97.5 162.6 40.6 1.7 -13.4 114 118 A V - 0 0 46 -2,-0.2 2,-2.0 1,-0.1 78,-0.2 -0.314 48.7-122.1 -56.2 132.6 37.1 0.3 -13.2 115 119 A P > + 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.391 50.2 154.8 -80.4 63.0 36.7 -2.3 -16.0 116 120 A V G > + 0 0 73 -2,-2.0 3,-0.7 1,-0.3 -2,-0.1 0.457 62.8 78.3 -76.3 3.7 33.7 -0.7 -17.9 117 121 A Y G > S+ 0 0 64 1,-0.2 3,-2.4 2,-0.1 -1,-0.3 0.654 74.6 78.3 -73.8 -18.7 35.0 -2.6 -20.9 118 122 A L G X + 0 0 0 -3,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.635 69.7 81.6 -67.6 -11.3 33.3 -5.7 -19.4 119 123 A A G < S+ 0 0 12 -3,-0.7 3,-0.5 -82,-0.3 -1,-0.3 0.777 92.0 52.5 -61.7 -22.8 30.1 -4.2 -20.6 120 124 A G G < S+ 0 0 59 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.504 103.7 58.9 -84.1 -6.5 31.3 -5.9 -23.8 121 125 A Y <> + 0 0 44 -3,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.015 61.3 119.1-116.0 26.6 31.8 -9.2 -22.0 122 126 A V H > S+ 0 0 18 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.930 74.9 54.2 -57.1 -47.7 28.3 -10.0 -20.7 123 127 A P H > S+ 0 0 75 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.917 108.7 48.7 -56.2 -45.9 28.0 -13.3 -22.6 124 128 A E H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 112.5 48.9 -55.7 -48.2 31.3 -14.7 -21.2 125 129 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.940 113.7 45.2 -58.2 -51.1 30.2 -13.7 -17.7 126 130 A V H X S+ 0 0 17 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.909 110.5 54.3 -58.6 -47.8 26.7 -15.4 -18.1 127 131 A I H X S+ 0 0 90 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.895 110.4 47.2 -55.8 -41.3 28.3 -18.5 -19.6 128 132 A Y H X S+ 0 0 54 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.944 110.1 51.7 -66.5 -46.2 30.6 -18.9 -16.6 129 133 A R H X S+ 0 0 3 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.944 112.4 46.6 -54.0 -50.4 27.8 -18.3 -14.2 130 134 A I H X S+ 0 0 34 -4,-2.8 4,-2.3 2,-0.2 3,-0.3 0.856 104.6 61.4 -55.0 -42.9 25.7 -21.1 -16.0 131 135 A I H X S+ 0 0 44 -4,-2.1 4,-1.3 1,-0.3 -1,-0.2 0.940 110.3 40.7 -55.6 -44.9 28.8 -23.3 -16.0 132 136 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.662 106.1 64.3 -74.4 -17.2 28.7 -23.2 -12.2 133 137 A G H X S+ 0 0 0 -4,-0.9 4,-2.6 -3,-0.3 -1,-0.2 0.890 100.9 51.7 -69.6 -38.6 24.9 -23.5 -12.3 134 138 A I H X S+ 0 0 31 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.903 106.7 54.0 -62.6 -42.8 25.4 -26.9 -13.8 135 139 A G H X S+ 0 0 0 -4,-1.3 4,-2.9 1,-0.2 5,-0.3 0.960 109.8 48.0 -48.8 -55.6 27.8 -27.6 -10.9 136 140 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.897 111.5 48.1 -56.9 -46.2 24.9 -26.6 -8.6 137 141 A G H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 5,-0.2 0.978 114.6 45.9 -60.2 -58.7 22.3 -28.8 -10.3 138 142 A L H >X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 3,-0.9 0.945 117.1 43.2 -42.0 -65.9 24.5 -31.8 -10.3 139 143 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.906 108.1 59.2 -51.0 -49.7 25.6 -31.4 -6.7 140 144 A S H 3< S+ 0 0 2 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.822 116.6 34.2 -51.9 -37.1 22.1 -30.6 -5.5 141 145 A M H S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.851 117.0 52.7 -67.1 -27.1 22.0 -36.4 -1.0 145 149 A M H X S+ 0 0 0 -4,-1.1 4,-1.8 -3,-0.3 -2,-0.2 0.928 110.1 47.7 -68.0 -46.0 21.8 -39.3 -3.4 146 150 A Y H >< S+ 0 0 4 -4,-3.6 3,-0.5 1,-0.2 4,-0.4 0.970 114.0 47.7 -52.7 -56.0 25.3 -40.4 -2.5 147 151 A I H >X S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.3 3,-1.4 0.892 110.7 50.6 -56.5 -43.1 24.5 -40.1 1.2 148 152 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.838 110.4 49.7 -66.0 -32.2 21.3 -42.1 0.9 149 153 A E T << S+ 0 0 0 -4,-1.8 72,-0.6 -3,-0.5 -1,-0.3 0.420 121.8 34.2 -86.6 2.8 23.0 -44.9 -1.0 150 154 A L T <4 S+ 0 0 5 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.543 96.2 93.1-131.0 -25.9 25.8 -45.0 1.7 151 155 A A S < S- 0 0 5 -4,-3.0 5,-0.1 -5,-0.2 88,-0.0 -0.283 77.2-119.7 -66.2 158.3 24.0 -44.2 4.9 152 156 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 88,-0.0 0.698 34.5-110.3 -59.6-122.3 22.6 -47.1 7.0 153 157 A A S > S+ 0 0 21 313,-0.1 3,-0.7 3,-0.0 311,-0.5 0.407 106.7 61.7-150.1 -34.6 18.9 -46.7 7.4 154 158 A H T 3 S+ 0 0 138 1,-0.2 4,-0.1 2,-0.1 311,-0.1 0.535 119.9 31.6 -78.5 -4.4 18.1 -45.8 11.0 155 159 A I T 3> S+ 0 0 35 309,-0.1 4,-1.9 2,-0.1 -1,-0.2 0.123 82.1 110.2-137.6 21.5 20.1 -42.6 10.4 156 160 A R H <> S+ 0 0 1 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.958 81.7 50.8 -64.4 -51.8 19.6 -41.8 6.7 157 161 A G H > S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.900 109.4 53.2 -46.8 -48.5 17.4 -38.7 7.5 158 162 A K H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.936 113.1 41.1 -52.5 -54.4 20.2 -37.4 9.9 159 163 A L H X S+ 0 0 9 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.898 115.9 47.4 -69.7 -44.8 22.9 -37.7 7.3 160 164 A V H >X S+ 0 0 2 -4,-2.9 3,-1.4 1,-0.2 4,-0.9 0.929 110.0 55.3 -62.0 -43.0 21.0 -36.3 4.3 161 165 A S H 3X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.816 94.5 66.1 -63.2 -28.9 19.8 -33.4 6.5 162 166 A F H 3X S+ 0 0 71 -4,-1.4 4,-2.0 1,-0.2 -1,-0.3 0.870 95.0 61.1 -60.1 -28.3 23.3 -32.5 7.3 163 167 A N H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 3,-0.8 0.974 115.6 48.8 -59.7 -55.1 22.5 -22.9 4.5 169 173 A F H 3X S+ 0 0 98 -4,-2.8 4,-2.7 1,-0.3 -1,-0.2 0.869 107.7 60.0 -49.3 -36.1 25.9 -22.6 6.2 170 174 A G H 3X S+ 0 0 0 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.3 0.878 107.4 42.7 -62.7 -41.8 27.2 -22.3 2.7 171 175 A Q H < S+ 0 0 31 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.897 108.2 55.6 -66.4 -40.3 36.0 -8.5 1.3 182 186 A A H >< S+ 0 0 43 -4,-3.1 3,-0.7 1,-0.3 2,-0.6 0.810 101.2 60.0 -61.2 -31.7 33.6 -5.5 0.9 183 187 A R T 3< S+ 0 0 74 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.1 -0.252 89.8 77.8 -90.2 46.7 35.2 -3.9 4.0 184 188 A S T < S+ 0 0 81 -3,-0.7 2,-0.3 -2,-0.6 -1,-0.2 0.283 91.1 9.4-139.9 7.7 38.7 -3.8 2.4 185 189 A G S < S- 0 0 41 -3,-0.7 -1,-0.2 -4,-0.0 5,-0.1 -0.979 78.7 -56.5-176.6 163.1 38.8 -0.9 -0.1 186 190 A D > - 0 0 108 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.044 56.1-111.3 -31.1 142.1 37.8 2.2 -2.0 187 191 A A H > S+ 0 0 76 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.764 123.5 53.5 -58.9 -25.4 34.4 2.0 -3.7 188 192 A S H 4 S+ 0 0 69 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.810 104.0 54.4 -77.9 -32.6 36.3 2.0 -6.9 189 193 A W H >>>S+ 0 0 63 -3,-0.3 4,-3.5 2,-0.2 5,-1.8 0.939 105.5 53.3 -62.3 -46.9 38.5 -0.9 -5.7 190 194 A L H 3<>S+ 0 0 42 -4,-2.2 5,-2.0 1,-0.3 6,-0.2 0.842 111.9 44.5 -56.4 -38.4 35.3 -2.9 -5.0 191 195 A N T 3<5S+ 0 0 28 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.412 121.3 41.9 -86.8 0.9 34.2 -2.3 -8.6 192 196 A T T <45S- 0 0 1 -3,-1.6 -2,-0.2 -4,-0.2 -3,-0.2 0.719 141.4 -12.9-111.6 -33.2 37.7 -3.1 -9.9 193 197 A D T X5S+ 0 0 30 -4,-3.5 4,-2.5 -5,-0.1 -3,-0.2 0.485 114.3 81.2-144.4 -30.1 38.8 -6.2 -7.8 194 198 A G H > S+ 0 0 1 -6,-0.2 4,-3.0 2,-0.2 5,-0.3 0.944 105.9 45.9 -56.9 -53.8 36.3 -10.5 -8.5 197 201 A Y H X S+ 0 0 106 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.821 109.5 58.3 -63.1 -30.2 37.8 -11.8 -5.2 198 202 A M H < S+ 0 0 2 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.944 112.9 37.9 -59.3 -50.2 34.2 -12.5 -4.1 199 203 A F H >< S+ 0 0 1 -4,-2.2 3,-2.0 1,-0.2 4,-0.3 0.974 116.7 49.2 -65.9 -57.0 33.7 -14.8 -7.1 200 204 A A H >< S+ 0 0 19 -4,-3.0 3,-1.7 1,-0.3 4,-0.4 0.719 93.5 79.0 -56.3 -22.7 37.2 -16.4 -7.1 201 205 A S T >< S+ 0 0 15 -4,-1.3 3,-1.1 -5,-0.3 -1,-0.3 0.799 83.2 64.4 -57.9 -28.3 36.8 -17.1 -3.4 202 206 A E T <> S+ 0 0 2 -3,-2.0 4,-1.2 -4,-0.4 -1,-0.3 0.718 83.5 74.9 -68.0 -23.3 34.6 -20.1 -4.3 203 207 A C H <> S+ 0 0 15 -3,-1.7 4,-2.2 -4,-0.3 -1,-0.2 0.792 88.2 63.7 -60.4 -27.4 37.6 -21.8 -6.0 204 208 A I H <> S+ 0 0 120 -3,-1.1 4,-2.2 -4,-0.4 3,-0.4 0.998 106.3 37.5 -62.7 -66.2 39.0 -22.5 -2.5 205 209 A P H > S+ 0 0 18 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.696 112.7 64.0 -64.1 -10.9 36.1 -24.8 -1.3 206 210 A A H X S+ 0 0 1 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.942 106.0 39.9 -71.8 -49.9 36.1 -26.2 -4.9 207 211 A L H X S+ 0 0 87 -4,-2.2 4,-3.4 -3,-0.4 5,-0.3 0.951 114.7 54.4 -57.0 -50.9 39.6 -27.6 -4.7 208 212 A L H X S+ 0 0 79 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.918 112.0 44.2 -52.1 -48.3 39.0 -28.8 -1.1 209 213 A F H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.940 113.1 51.3 -59.8 -50.6 35.9 -30.6 -2.4 210 214 A L H < S+ 0 0 38 -4,-2.8 4,-0.4 1,-0.2 3,-0.4 0.937 113.9 43.2 -54.3 -51.8 37.8 -32.0 -5.4 211 215 A M H >< S+ 0 0 114 -4,-3.4 3,-1.9 1,-0.2 -1,-0.2 0.934 111.0 53.2 -62.5 -47.8 40.7 -33.4 -3.4 212 216 A L H >< S+ 0 0 65 -4,-2.5 3,-1.3 -5,-0.3 -1,-0.2 0.752 95.5 69.6 -63.9 -22.4 38.6 -34.8 -0.5 213 217 A L G >< S+ 0 0 3 -4,-1.5 3,-0.9 -3,-0.4 -1,-0.3 0.746 88.5 66.2 -67.7 -19.3 36.5 -36.8 -3.1 214 218 A Y G < S+ 0 0 155 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.1 0.076 96.7 55.6 -85.4 21.9 39.6 -38.9 -3.7 215 219 A T G < S+ 0 0 99 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.276 95.2 76.9-133.1 1.8 39.4 -40.3 -0.1 216 220 A V S < S- 0 0 10 -3,-0.9 2,-0.0 -4,-0.1 -207,-0.0 -0.860 78.0-111.0-120.5 152.0 35.8 -41.6 -0.2 217 221 A P - 0 0 9 0, 0.0 -2,-0.1 0, 0.0 -136,-0.1 -0.288 31.5-103.9 -74.9 162.7 34.4 -44.8 -1.7 218 222 A E - 0 0 61 1,-0.1 -139,-0.1 -138,-0.1 3,-0.0 -0.268 54.6 -78.7 -66.1 166.5 32.0 -45.1 -4.7 219 223 A S > - 0 0 1 1,-0.1 4,-2.4 -2,-0.0 -1,-0.1 -0.589 33.5-147.4 -69.2 128.5 28.3 -45.8 -4.0 220 224 A P H > S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.930 98.5 53.1 -62.3 -46.6 27.8 -49.6 -3.2 221 225 A R H > S+ 0 0 19 -72,-0.6 4,-1.6 1,-0.2 5,-0.1 0.815 111.5 46.4 -57.6 -33.6 24.3 -49.5 -4.8 222 226 A W H > S+ 0 0 27 2,-0.2 4,-1.0 1,-0.1 -1,-0.2 0.932 111.1 51.8 -75.6 -44.8 25.8 -48.1 -8.0 223 227 A L H ><>S+ 0 0 3 -4,-2.4 3,-1.5 1,-0.2 5,-1.4 0.950 108.1 52.4 -49.1 -57.8 28.6 -50.6 -7.9 224 228 A M H ><5S+ 0 0 12 -4,-3.0 3,-2.3 1,-0.3 -1,-0.2 0.886 106.3 52.6 -43.7 -52.0 26.1 -53.5 -7.6 225 229 A S H 3<5S+ 0 0 56 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.699 106.6 55.6 -64.6 -20.1 24.1 -52.2 -10.6 226 230 A R T <<5S- 0 0 122 -3,-1.5 -1,-0.3 -4,-1.0 -2,-0.2 0.167 124.8-103.8 -95.5 18.7 27.4 -52.2 -12.5 227 231 A G T < 5S+ 0 0 70 -3,-2.3 -3,-0.2 1,-0.1 2,-0.2 0.842 83.1 128.4 67.7 35.9 28.0 -55.9 -11.6 228 232 A K >< + 0 0 103 -5,-1.4 4,-2.1 -8,-0.2 -4,-0.2 -0.480 11.5 148.6-125.2 62.0 30.6 -55.2 -8.9 229 233 A Q H > S+ 0 0 85 -2,-0.2 4,-2.9 2,-0.2 5,-0.4 0.836 70.9 63.2 -61.6 -37.4 29.6 -57.0 -5.8 230 234 A E H > S+ 0 0 174 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.974 110.4 33.1 -52.6 -69.9 33.1 -57.4 -4.8 231 235 A Q H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 118.6 57.4 -55.2 -42.3 34.0 -53.7 -4.3 232 236 A A H >X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 3,-0.7 0.971 110.6 39.1 -51.4 -65.3 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