==== 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 TRANSFERASE 19-JUN-09 3HWW . COMPND 2 MOLECULE: 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE- . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR A.PRIYADARSHI,K.Y.HWANG . 1071 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 734 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 97 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 8 2 5 5 0 6 2 2 2 3 4 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 6 8 4 2 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 . 2 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 2 4 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 M 0 0 210 0, 0.0 2,-0.8 0, 0.0 176,-0.1 0.000 360.0 360.0 360.0 -50.8 -17.8 -12.8 -37.7 2 2 A S > - 0 0 5 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.607 360.0-175.8 -91.1 107.1 -20.5 -10.9 -35.6 3 3 A V H > S+ 0 0 68 -2,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.890 90.1 50.6 -56.5 -42.6 -19.9 -10.6 -31.8 4 4 A S H > S+ 0 0 8 2,-0.2 4,-1.9 171,-0.2 -1,-0.2 0.884 108.0 53.0 -69.9 -30.7 -23.3 -8.9 -31.3 5 5 A A H > S+ 0 0 3 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.925 113.5 43.6 -67.4 -45.4 -25.1 -11.7 -33.3 6 6 A F H >X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 3,-0.6 0.934 109.3 56.0 -60.2 -45.9 -23.5 -14.3 -31.1 7 7 A N H 3X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.876 105.8 53.6 -59.5 -35.5 -24.2 -12.3 -27.8 8 8 A R H 3X S+ 0 0 46 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.826 109.3 46.9 -65.4 -36.9 -27.9 -12.2 -28.7 9 9 A R H < S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.795 102.9 54.3 -56.3 -37.7 -33.8 -22.2 -20.2 18 18 A L H ><>S+ 0 0 0 -4,-1.2 3,-2.2 -3,-0.3 5,-1.5 0.868 98.8 65.9 -63.4 -34.1 -35.5 -20.2 -17.4 19 19 A T H ><5S+ 0 0 31 -4,-1.4 3,-0.9 -3,-0.5 -1,-0.2 0.799 93.4 59.2 -55.2 -31.7 -38.7 -20.8 -19.2 20 20 A R T <<5S+ 0 0 22 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.492 100.8 57.0 -82.5 2.9 -38.4 -24.5 -18.5 21 21 A H T < 5S- 0 0 36 -3,-2.2 -1,-0.2 -4,-0.1 -2,-0.2 0.143 125.3 -88.5-120.2 17.0 -38.4 -24.0 -14.7 22 22 A G T < 5S+ 0 0 41 -3,-0.9 2,-0.5 1,-0.3 -3,-0.2 0.481 73.3 151.7 91.2 2.0 -41.6 -22.2 -14.2 23 23 A V < + 0 0 5 -5,-1.5 -1,-0.3 1,-0.2 50,-0.2 -0.578 6.5 145.0 -72.5 117.3 -40.2 -18.6 -14.7 24 24 A R + 0 0 134 48,-0.7 24,-1.9 -2,-0.5 2,-0.2 0.663 53.2 60.5-119.4 -52.7 -43.2 -16.7 -16.1 25 25 A H E -a 48 0A 20 47,-0.4 49,-1.8 22,-0.2 2,-0.4 -0.500 61.4-174.7 -87.6 145.2 -42.8 -13.2 -14.5 26 26 A I E -ab 49 74A 0 22,-2.6 24,-2.3 -2,-0.2 2,-0.5 -0.995 11.4-152.8-143.6 133.2 -39.7 -11.1 -15.3 27 27 A C E -ab 50 75A 0 47,-2.5 49,-2.8 -2,-0.4 2,-0.4 -0.919 17.2-179.1-112.9 129.9 -38.7 -7.7 -13.8 28 28 A I E -ab 51 76A 7 22,-2.7 24,-0.9 -2,-0.5 49,-0.2 -0.971 23.8-164.2-133.6 134.6 -36.6 -5.3 -15.7 29 29 A A - 0 0 1 47,-1.2 49,-0.3 -2,-0.4 24,-0.1 -0.996 39.0-126.2-113.0 116.2 -35.1 -1.8 -15.1 30 30 A P + 0 0 93 0, 0.0 2,-0.2 0, 0.0 48,-0.2 -0.171 46.1 145.9 -63.5 159.8 -34.1 -0.7 -18.5 31 31 A G > - 0 0 31 46,-0.1 3,-1.9 0, 0.0 2,-1.2 -0.502 53.5-108.1 162.9 129.3 -30.5 0.5 -19.1 32 32 A S T 3 S+ 0 0 112 1,-0.3 142,-0.1 2,-0.2 4,-0.1 0.073 106.5 56.8 -81.2 29.2 -28.3 0.2 -22.2 33 33 A R T 3 S+ 0 0 18 -2,-1.2 -1,-0.3 46,-0.1 3,-0.1 0.353 103.3 53.0-123.2 0.6 -25.7 -2.5 -21.2 34 34 A S S X> S+ 0 0 0 -3,-1.9 3,-2.5 1,-0.1 4,-1.9 0.379 76.7 120.0-104.9 -8.1 -28.3 -5.3 -20.3 35 35 A T H 3> + 0 0 37 -4,-0.5 4,-3.4 1,-0.3 5,-0.3 0.762 66.6 54.4 -9.4 -62.9 -29.7 -4.6 -23.7 36 36 A L H 3> S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.867 112.9 41.8 -59.7 -36.4 -29.1 -8.2 -24.8 37 37 A L H <> S+ 0 0 0 -3,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.942 117.1 45.5 -77.4 -50.3 -31.0 -9.7 -21.9 38 38 A T H X S+ 0 0 36 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.870 115.2 50.6 -52.1 -43.8 -33.8 -7.2 -22.0 39 39 A L H X S+ 0 0 78 -4,-3.4 4,-2.0 -5,-0.3 -2,-0.2 0.904 110.4 46.2 -67.7 -42.6 -33.9 -7.7 -25.8 40 40 A A H X S+ 0 0 2 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.842 111.3 56.5 -67.8 -28.7 -34.0 -11.5 -25.5 41 41 A A H < S+ 0 0 0 -4,-2.2 6,-0.3 2,-0.2 -2,-0.2 0.842 106.6 47.2 -66.4 -39.3 -36.7 -11.0 -22.8 42 42 A A H < S+ 0 0 68 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.935 109.5 52.5 -72.8 -45.1 -38.9 -9.0 -25.2 43 43 A E H < S+ 0 0 133 -4,-2.0 2,-0.9 -5,-0.1 -1,-0.2 0.737 94.1 87.9 -55.0 -25.5 -38.6 -11.6 -28.1 44 44 A N >< - 0 0 25 -4,-0.9 3,-1.3 1,-0.2 -1,-0.1 -0.713 60.8-168.3 -91.2 107.5 -39.7 -14.3 -25.6 45 45 A S T 3 S+ 0 0 123 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.659 76.5 77.5 -68.1 -19.2 -43.5 -14.5 -25.6 46 46 A A T 3 S+ 0 0 35 2,-0.0 2,-0.4 -21,-0.0 -1,-0.3 0.713 80.6 85.1 -63.0 -23.2 -43.4 -16.7 -22.5 47 47 A F < - 0 0 12 -3,-1.3 2,-0.6 -6,-0.3 -22,-0.2 -0.674 63.3-149.2 -95.6 137.0 -42.7 -13.8 -20.1 48 48 A I E -a 25 0A 58 -24,-1.9 -22,-2.6 -2,-0.4 2,-0.3 -0.897 34.1-141.0 -89.5 124.9 -45.0 -11.4 -18.3 49 49 A H E +a 26 0A 83 -2,-0.6 2,-0.3 -24,-0.2 -22,-0.2 -0.665 25.0 176.4 -94.8 135.8 -43.0 -8.2 -18.0 50 50 A H E -a 27 0A 14 -24,-2.3 -22,-2.7 -2,-0.3 2,-0.3 -0.976 8.5-169.5-132.3 150.7 -42.8 -5.6 -15.2 51 51 A T E +a 28 0A 83 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.939 14.6 166.7-135.0 162.7 -40.6 -2.6 -14.9 52 52 A H - 0 0 9 -24,-0.9 399,-0.1 -2,-0.3 6,-0.0 -0.906 33.3-135.0-167.4 153.0 -39.5 0.1 -12.3 53 53 A F S S+ 0 0 25 -2,-0.3 2,-0.6 -24,-0.1 933,-0.1 0.565 89.5 74.9 -93.7 -13.5 -36.7 2.6 -12.5 54 54 A D > - 0 0 0 1,-0.2 4,-1.9 396,-0.1 3,-0.1 -0.920 66.9-159.2-104.5 113.3 -35.5 2.0 -8.9 55 55 A E H > S+ 0 0 16 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.855 91.4 57.0 -67.9 -35.6 -33.5 -1.4 -8.8 56 56 A R H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.946 111.9 42.4 -51.8 -50.2 -34.0 -1.7 -5.0 57 57 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.816 109.1 59.6 -69.8 -30.2 -37.8 -1.5 -5.5 58 58 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.943 103.3 51.4 -62.8 -46.9 -37.5 -3.8 -8.6 59 59 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.913 112.9 45.2 -51.7 -47.4 -36.1 -6.6 -6.4 60 60 A H H X S+ 0 0 4 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.856 108.3 56.2 -70.2 -33.8 -38.9 -6.1 -4.0 61 61 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.970 111.3 45.2 -55.7 -50.6 -41.4 -6.1 -6.8 62 62 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.862 109.9 55.5 -61.6 -36.8 -40.0 -9.5 -7.8 63 63 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.911 107.8 47.9 -63.6 -46.0 -40.1 -10.6 -4.3 64 64 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.914 110.8 50.4 -58.7 -49.6 -43.8 -9.8 -4.0 65 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.950 115.3 43.8 -55.0 -49.2 -44.6 -11.6 -7.3 66 66 A A H X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.945 108.3 58.7 -61.3 -52.2 -42.7 -14.8 -6.1 67 67 A K H < S+ 0 0 10 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.860 116.4 33.7 -42.1 -46.5 -44.2 -14.6 -2.5 68 68 A V H < S+ 0 0 22 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.953 123.0 41.1 -81.7 -50.1 -47.7 -14.9 -4.0 69 69 A S H < S- 0 0 34 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.781 89.2-142.0 -71.8 -21.5 -47.2 -17.2 -7.0 70 70 A K < + 0 0 148 -4,-3.0 -3,-0.1 -5,-0.3 -4,-0.1 0.708 65.7 115.5 63.6 17.6 -44.8 -19.5 -5.3 71 71 A Q S S- 0 0 60 -5,-0.3 -1,-0.3 -6,-0.3 28,-0.2 -0.816 78.0 -92.2-108.0 157.4 -42.9 -19.7 -8.6 72 72 A P - 0 0 14 0, 0.0 -48,-0.7 0, 0.0 2,-0.4 -0.418 40.1-158.1 -65.2 146.2 -39.4 -18.4 -9.5 73 73 A V E - c 0 100A 0 26,-2.3 28,-3.1 -50,-0.2 2,-0.2 -0.990 6.5-139.1-134.0 131.4 -39.3 -14.8 -10.8 74 74 A A E -bc 26 101A 0 -49,-1.8 -47,-2.5 -2,-0.4 2,-0.4 -0.569 11.5-165.4 -93.5 153.6 -36.5 -13.4 -12.9 75 75 A V E -bc 27 102A 0 26,-2.2 28,-4.0 -49,-0.2 2,-0.5 -0.988 2.2-164.8-139.2 125.3 -34.9 -9.9 -12.6 76 76 A I E +bc 28 103A 0 -49,-2.8 -47,-1.2 -2,-0.4 2,-0.3 -0.963 16.3 165.3-113.8 135.8 -32.7 -8.4 -15.2 77 77 A V E - c 0 104A 0 26,-1.8 28,-2.5 -2,-0.5 2,-0.1 -0.953 34.1-106.9-139.9 160.5 -30.5 -5.4 -14.5 78 78 A T - 0 0 8 -2,-0.3 5,-0.3 -49,-0.3 -46,-0.1 -0.317 48.9 -79.9 -84.9 169.9 -27.6 -3.6 -16.0 79 79 A S S S+ 0 0 1 3,-0.1 3,-0.4 -48,-0.1 2,-0.2 -0.237 90.2 33.7 -67.8 161.9 -24.0 -3.7 -14.8 80 80 A G S >> S- 0 0 0 1,-0.2 3,-2.3 25,-0.2 4,-0.8 -0.554 119.5 -15.2 96.1-153.7 -22.8 -1.5 -11.8 81 81 A T H 3> S+ 0 0 5 873,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.786 119.6 79.1 -67.0 -18.3 -24.6 -0.3 -8.7 82 82 A A H 34 S+ 0 0 8 -3,-0.4 4,-0.4 1,-0.2 3,-0.3 0.949 94.8 49.6 -41.1 -48.3 -27.8 -1.3 -10.3 83 83 A V H X4 S+ 0 0 0 -3,-2.3 3,-2.1 -5,-0.3 4,-0.3 0.919 103.6 56.8 -66.7 -38.3 -26.8 -4.8 -9.2 84 84 A A H >< S+ 0 0 0 -4,-0.8 3,-2.1 1,-0.3 -1,-0.2 0.845 94.3 68.1 -67.3 -30.3 -26.1 -3.9 -5.6 85 85 A N T 3< S+ 0 0 5 -4,-1.9 4,-0.4 -3,-0.3 -1,-0.3 0.636 87.6 68.4 -63.3 -15.2 -29.6 -2.5 -5.1 86 86 A L T <> S+ 0 0 1 -3,-2.1 4,-2.4 -4,-0.4 -1,-0.3 0.638 75.6 91.2 -71.3 -15.9 -30.9 -6.0 -5.4 87 87 A Y H <> S+ 0 0 0 -3,-2.1 4,-2.9 -4,-0.3 5,-0.3 0.894 80.5 51.1 -54.5 -50.4 -29.3 -7.1 -2.1 88 88 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.946 114.5 41.3 -53.8 -50.5 -32.2 -6.3 0.3 89 89 A A H > S+ 0 0 1 -4,-0.4 4,-2.5 1,-0.3 -2,-0.2 0.920 115.4 54.1 -71.9 -32.1 -34.8 -8.2 -1.6 90 90 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 73,-0.4 0.917 108.9 47.8 -60.1 -42.0 -32.2 -11.0 -2.2 91 91 A I H X S+ 0 0 1 -4,-2.9 4,-1.1 2,-0.2 3,-0.2 0.920 110.2 50.7 -66.7 -43.7 -31.5 -11.2 1.5 92 92 A E H >X S+ 0 0 4 -4,-2.5 4,-2.5 -5,-0.3 3,-0.9 0.935 108.6 52.7 -62.6 -46.7 -35.2 -11.4 2.4 93 93 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.807 102.9 58.3 -57.0 -35.6 -35.7 -14.2 -0.1 94 94 A G H 3< S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.787 112.7 40.9 -68.0 -28.5 -32.9 -16.2 1.5 95 95 A L H << S+ 0 0 55 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.858 126.3 30.3 -86.7 -37.4 -34.8 -16.1 4.7 96 96 A T H < S- 0 0 21 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.514 107.5-114.1-106.0 -4.5 -38.3 -16.7 3.5 97 97 A G < + 0 0 20 -4,-2.4 65,-1.0 -5,-0.3 -3,-0.1 0.499 51.9 160.5 94.6 7.3 -37.6 -18.8 0.5 98 98 A E - 0 0 14 63,-0.2 2,-1.1 -6,-0.2 -1,-0.3 -0.386 40.2-129.6 -55.5 136.0 -38.7 -16.7 -2.4 99 99 A K + 0 0 61 -28,-0.2 -26,-2.3 62,-0.1 2,-0.6 -0.745 34.9 173.9 -91.8 92.1 -37.0 -18.0 -5.7 100 100 A L E -c 73 0A 0 -2,-1.1 64,-2.8 -28,-0.2 2,-0.9 -0.884 18.5-158.0-104.6 122.9 -35.5 -14.9 -7.2 101 101 A I E -cd 74 164A 0 -28,-3.1 -26,-2.2 -2,-0.6 2,-0.6 -0.875 11.4-162.6-104.1 107.0 -33.4 -15.4 -10.3 102 102 A L E -cd 75 165A 2 62,-2.6 64,-3.5 -2,-0.9 2,-0.7 -0.794 7.1-170.4 -95.1 118.4 -31.2 -12.4 -10.6 103 103 A L E -cd 76 166A 0 -28,-4.0 -26,-1.8 -2,-0.6 2,-0.7 -0.926 9.7-172.8-111.5 108.2 -29.7 -11.9 -14.1 104 104 A T E -cd 77 167A 0 62,-2.3 64,-3.4 -2,-0.7 -26,-0.2 -0.894 16.7-139.8-110.4 115.8 -27.1 -9.3 -13.8 105 105 A A E - d 0 168A 0 -28,-2.5 2,-0.3 -2,-0.7 -25,-0.2 -0.424 26.7-171.9 -69.1 147.4 -25.5 -8.0 -16.9 106 106 A D E - d 0 169A 6 62,-2.0 64,-1.4 -27,-0.1 13,-0.1 -0.954 27.8-105.0-136.1 159.3 -21.8 -7.4 -16.5 107 107 A R - 0 0 39 -2,-0.3 64,-0.1 13,-0.2 -27,-0.1 -0.335 55.5 -90.1 -66.8 163.0 -19.0 -5.9 -18.5 108 108 A P > - 0 0 0 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.367 41.1-101.9 -73.3 162.6 -16.6 -8.5 -20.0 109 109 A P G > S+ 0 0 79 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 0.800 118.8 62.5 -61.3 -26.3 -13.6 -9.5 -17.9 110 110 A E G 3 S+ 0 0 76 1,-0.3 -3,-0.0 4,-0.0 0, 0.0 0.587 104.4 51.3 -70.2 -14.5 -11.2 -7.3 -19.8 111 111 A L G < S+ 0 0 30 -3,-2.3 3,-0.5 4,-0.0 5,-0.4 0.336 86.6 100.9-106.5 11.3 -13.1 -4.3 -18.7 112 112 A I S < S+ 0 0 26 -3,-1.4 8,-0.1 -4,-0.2 9,-0.1 -0.700 87.8 7.4 -95.7 146.0 -13.2 -5.0 -15.0 113 113 A D S S+ 0 0 80 -2,-0.3 741,-0.5 6,-0.1 -1,-0.2 0.888 102.5 97.7 63.8 39.1 -10.8 -3.1 -12.6 114 114 A C S S- 0 0 1 -3,-0.5 745,-0.2 741,-0.1 741,-0.1 0.174 103.8 -88.5-148.6 23.4 -9.4 -0.8 -15.2 115 115 A G S S+ 0 0 34 1,-0.2 712,-0.2 739,-0.2 740,-0.1 0.511 76.5 147.4 89.6 4.3 -11.2 2.5 -14.9 116 116 A A > - 0 0 10 -5,-0.4 3,-0.6 1,-0.1 2,-0.2 -0.230 51.3 -94.9 -74.8 166.0 -14.1 1.6 -17.3 117 117 A N T 3 S+ 0 0 43 1,-0.3 837,-0.1 -37,-0.0 -1,-0.1 -0.558 97.5 3.7 -93.4 144.0 -17.5 2.9 -16.8 118 118 A Q T 3 S+ 0 0 60 835,-0.4 2,-0.5 -2,-0.2 -1,-0.3 0.894 99.5 136.0 61.4 37.2 -20.4 1.3 -15.0 119 119 A A < + 0 0 6 -3,-0.6 2,-0.3 834,-0.4 -1,-0.2 -0.973 18.0 141.8-132.3 119.0 -17.9 -1.4 -14.2 120 120 A I - 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0 0 15 1,-0.1 3,-1.8 4,-0.1 338,-0.1 -0.896 50.5-171.5-112.8 98.7 -35.7 -21.8 17.1 318 318 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 337,-0.1 0.676 88.3 56.4 -67.8 -13.8 -33.8 -18.9 18.5 319 319 A A T 3 S- 0 0 32 335,-0.1 332,-0.0 -3,-0.1 -2,-0.0 0.438 102.6-134.0 -95.6 4.2 -34.0 -20.4 22.0 320 320 A H < - 0 0 98 -3,-1.8 3,-0.1 334,-0.2 -21,-0.0 0.786 32.3-175.0 52.9 40.9 -32.3 -23.7 20.9 321 321 A H - 0 0 30 1,-0.1 2,-0.2 3,-0.1 -1,-0.1 -0.301 33.7-103.1 -57.6 148.1 -34.7 -26.2 22.5 322 322 A R S S+ 0 0 228 -19,-0.1 -16,-1.0 1,-0.1 2,-0.3 -0.481 83.8 74.2 -65.9 131.6 -33.9 -29.9 22.4 323 323 A G E S-i 306 0B 39 -18,-0.2 2,-0.4 -2,-0.2 -16,-0.2 -0.957 78.6 -37.8 162.4-138.6 -36.2 -31.4 19.8 324 324 A R E -i 307 0B 53 -18,-2.4 -16,-2.4 -2,-0.3 2,-0.5 -0.931 20.8-159.1-135.0 143.7 -36.7 -31.6 16.1 325 325 A R E -i 308 0B 51 -2,-0.4 2,-0.6 -18,-0.2 -16,-0.2 -0.937 25.8-167.7-117.7 105.7 -36.3 -29.4 13.0 326 326 A L E -i 309 0B 8 -18,-2.6 -16,-2.2 -2,-0.5 2,-0.6 -0.849 12.2-149.6-109.6 116.4 -38.5 -30.9 10.3 327 327 A I E +i 310 0B 22 -2,-0.6 -119,-2.6 -18,-0.2 2,-0.3 -0.711 45.0 115.5 -85.2 115.7 -38.2 -29.9 6.7 328 328 A A S S- 0 0 4 -18,-1.9 2,-0.6 -2,-0.6 -16,-0.2 -0.985 71.9 -91.0-170.0 153.2 -41.6 -30.2 4.9 329 329 A N > - 0 0 48 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.734 46.3-134.7 -65.7 121.7 -44.5 -28.7 3.1 330 330 A I H > S+ 0 0 5 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.858 101.4 51.1 -53.3 -45.9 -46.8 -28.2 6.0 331 331 A A H > S+ 0 0 15 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.953 111.8 46.2 -60.9 -48.4 -49.8 -29.7 4.3 332 332 A D H >> S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.966 111.9 55.1 -55.9 -44.6 -48.0 -32.9 3.2 333 333 A W H 3X S+ 0 0 6 -4,-3.0 4,-1.7 1,-0.3 -2,-0.2 0.892 104.7 49.3 -55.9 -50.4 -46.6 -33.1 6.8 334 334 A L H 3< S+ 0 0 15 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.817 110.8 53.8 -58.7 -30.3 -50.1 -33.0 8.4 335 335 A E H << S+ 0 0 144 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.890 110.6 44.8 -66.8 -44.0 -51.0 -35.8 6.0 336 336 A L H < S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.717 122.2 39.3 -71.8 -24.5 -48.0 -37.8 7.2 337 337 A H S < S- 0 0 1 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.544 86.6-176.1-128.4 67.2 -48.9 -37.0 10.8 338 338 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.172 19.9-117.4 -73.5 157.3 -52.6 -37.2 11.0 339 339 A A - 0 0 27 -5,-0.1 2,-0.4 3,-0.0 -95,-0.1 -0.657 14.5-156.3 -90.8 147.2 -54.8 -36.4 14.0 340 340 A E - 0 0 108 -2,-0.3 0, 0.0 -122,-0.2 0, 0.0 -0.990 38.7 -96.7-111.5 134.0 -57.1 -38.6 16.0 341 341 A K + 0 0 121 -2,-0.4 2,-0.3 -96,-0.0 -97,-0.2 -0.173 52.7 165.3 -43.5 124.3 -60.0 -37.1 18.0 342 342 A R - 0 0 91 -99,-1.3 3,-0.1 -100,-0.3 -96,-0.0 -0.967 42.9-100.0-145.4 141.6 -59.0 -36.6 21.6 343 343 A Q - 0 0 158 -2,-0.3 -100,-0.0 1,-0.1 0, 0.0 -0.316 50.6 -93.9 -59.7 140.7 -60.7 -34.5 24.3 344 344 A P - 0 0 79 0, 0.0 -98,-0.2 0, 0.0 -1,-0.1 -0.297 28.4-158.6 -55.1 135.7 -59.0 -31.1 24.9 345 345 A W + 0 0 47 -100,-1.5 2,-0.5 -123,-0.2 -99,-0.1 0.552 69.1 84.8 -93.0 -5.8 -56.6 -31.1 27.8 346 346 A C + 0 0 11 -101,-0.4 -70,-0.0 1,-0.2 -71,-0.0 -0.823 43.5 163.5-101.2 135.2 -56.7 -27.4 28.4 347 347 A V S S+ 0 0 103 -2,-0.5 4,-0.5 2,-0.1 -1,-0.2 0.766 72.8 38.4-116.9 -47.7 -59.5 -26.0 30.5 348 348 A E S >> S+ 0 0 62 1,-0.1 4,-2.1 2,-0.1 3,-0.9 0.887 103.7 65.9 -78.4 -39.5 -58.6 -22.5 31.6 349 349 A I H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.896 95.4 55.1 -51.7 -52.1 -57.0 -21.2 28.4 350 350 A P H 3> S+ 0 0 60 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.794 111.8 47.1 -57.1 -30.8 -60.1 -21.2 26.2 351 351 A R H <> S+ 0 0 125 -3,-0.9 4,-2.4 -4,-0.5 -2,-0.2 0.923 109.9 50.2 -68.2 -54.8 -61.9 -19.0 28.8 352 352 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.805 108.0 56.0 -52.3 -34.9 -59.0 -16.5 29.3 353 353 A A H X S+ 0 0 2 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.973 109.2 44.7 -64.1 -56.2 -58.9 -16.1 25.5 354 354 A E H X S+ 0 0 125 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.878 113.4 50.9 -47.3 -50.7 -62.7 -15.2 25.3 355 355 A Q H X S+ 0 0 56 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.892 108.6 52.5 -61.7 -40.2 -62.3 -12.8 28.2 356 356 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.886 108.9 48.4 -66.9 -38.3 -59.3 -11.2 26.5 357 357 A M H X S+ 0 0 27 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.890 110.7 52.2 -67.9 -39.4 -61.2 -10.6 23.3 358 358 A Q H X S+ 0 0 116 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.898 106.8 53.6 -59.2 -42.6 -64.1 -9.1 25.4 359 359 A A H < S+ 0 0 8 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.902 109.8 46.4 -58.5 -44.3 -61.6 -6.8 27.1 360 360 A V H >< S+ 0 0 3 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.893 110.2 54.9 -64.6 -44.1 -60.3 -5.4 23.7 361 361 A I H >< S+ 0 0 78 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.856 96.8 61.9 -57.4 -41.4 -63.9 -5.0 22.6 362 362 A A T 3< S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.480 111.2 45.5 -59.6 1.7 -64.8 -2.8 25.6 363 363 A R T < S+ 0 0 72 -3,-1.4 3,-0.3 -5,-0.1 -1,-0.3 0.207 74.3 113.6-130.5 13.1 -62.1 -0.6 24.0 364 364 A R < + 0 0 79 -3,-1.8 11,-0.1 1,-0.2 -2,-0.1 0.535 65.9 67.1 -71.1 -3.5 -63.0 -0.5 20.3 365 365 A D + 0 0 111 -4,-0.1 -1,-0.2 -3,-0.1 133,-0.2 0.843 58.8 96.2 -97.5 -43.9 -64.0 3.2 20.1 366 366 A A S S- 0 0 66 -3,-0.3 2,-2.2 1,-0.2 5,-0.2 -0.284 83.5-113.5 -52.5 133.3 -61.2 5.8 20.6 367 367 A F S S+ 0 0 66 129,-0.1 2,-0.2 4,-0.1 -1,-0.2 -0.504 73.4 116.2 -77.7 80.8 -60.1 6.7 17.1 368 368 A G S > S- 0 0 6 -2,-2.2 4,-1.7 153,-0.1 5,-0.2 -0.809 78.3 -88.9-137.5-178.2 -56.5 5.2 17.3 369 369 A E H > S+ 0 0 8 -2,-0.2 4,-2.3 2,-0.2 5,-0.1 0.870 119.9 48.9 -53.8 -51.7 -54.0 2.8 16.1 370 370 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 113.3 49.0 -64.6 -36.2 -54.9 -0.1 18.5 371 371 A Q H > S+ 0 0 10 2,-0.2 4,-1.8 -5,-0.2 -1,-0.2 0.765 109.8 49.5 -77.3 -31.7 -58.5 0.3 17.6 372 372 A L H < S+ 0 0 2 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.878 111.9 50.8 -70.5 -42.5 -57.9 0.3 13.9 373 373 A A H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 4,-0.3 0.886 111.1 48.2 -58.3 -40.1 -55.8 -2.8 14.5 374 374 A H H 3< S+ 0 0 24 -4,-1.9 3,-0.4 1,-0.2 28,-0.3 0.896 117.9 39.8 -69.3 -38.9 -58.7 -4.4 16.5 375 375 A R T >< S+ 0 0 15 -4,-1.8 3,-2.4 1,-0.2 4,-0.5 0.337 82.6 110.6 -92.4 1.9 -61.3 -3.6 13.8 376 376 A I G X> + 0 0 0 -3,-0.6 3,-2.2 -4,-0.5 4,-0.7 0.853 67.1 64.0 -54.7 -36.0 -59.1 -4.4 10.9 377 377 A C G 34 S+ 0 0 46 -3,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.730 94.0 63.2 -70.2 -11.2 -61.0 -7.4 9.9 378 378 A D G <4 S+ 0 0 102 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.676 105.1 45.9 -71.2 -25.2 -64.1 -5.2 9.2 379 379 A Y T <4 S+ 0 0 13 -3,-2.2 -2,-0.2 -4,-0.5 -1,-0.2 0.440 80.2 123.7-102.7 0.1 -62.2 -3.4 6.4 380 380 A L < - 0 0 25 -4,-0.7 2,-0.1 -3,-0.2 6,-0.1 -0.380 68.6-112.0 -57.7 128.4 -60.7 -6.5 4.7 381 381 A P > - 0 0 5 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.391 35.1-103.2 -61.2 135.7 -61.7 -6.6 0.9 382 382 A E T 3 S+ 0 0 161 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.412 106.7 1.2 -56.8 131.2 -64.0 -9.5 -0.0 383 383 A Q T 3 S+ 0 0 146 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.836 114.6 123.8 51.6 33.9 -62.0 -12.2 -1.8 384 384 A G < - 0 0 1 -3,-1.8 2,-0.3 50,-0.2 52,-0.2 -0.269 57.3-126.6-104.8-163.8 -59.0 -10.0 -1.2 385 385 A Q E -k 436 0D 0 50,-1.7 52,-1.6 22,-0.1 2,-0.4 -0.956 15.1-131.2-143.7 156.0 -55.6 -10.5 0.5 386 386 A L E -kl 437 409D 0 22,-3.0 24,-3.0 -2,-0.3 2,-0.5 -0.907 11.3-163.2-111.9 134.3 -53.9 -8.4 3.3 387 387 A F E -kl 438 410D 0 50,-3.0 52,-2.2 -2,-0.4 2,-0.4 -0.988 13.3-166.0-118.2 132.7 -50.3 -7.2 3.2 388 388 A V E -kl 439 411D 1 22,-2.2 24,-0.5 -2,-0.5 52,-0.2 -0.951 4.4-148.0-130.6 124.4 -48.9 -6.2 6.5 389 389 A G - 0 0 0 50,-2.9 2,-0.4 -2,-0.4 51,-0.1 0.159 35.2 -85.3 -76.4-159.3 -45.7 -4.2 7.1 390 390 A N S S+ 0 0 19 27,-0.1 2,-0.2 51,-0.1 50,-0.1 -0.458 81.5 112.3-112.0 60.1 -43.2 -4.2 9.9 391 391 A S S > S- 0 0 25 -2,-0.4 4,-1.2 48,-0.1 3,-0.4 -0.567 81.6 -99.2-128.7 177.3 -44.8 -1.8 12.4 392 392 A L H >> S+ 0 0 43 1,-0.2 4,-3.0 2,-0.2 3,-0.5 0.922 117.4 66.6 -61.6 -43.9 -46.4 -1.5 15.9 393 393 A V H 3> S+ 0 0 1 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.755 99.9 47.9 -51.5 -33.8 -49.7 -1.6 14.1 394 394 A V H 3> S+ 0 0 2 -3,-0.4 4,-2.3 2,-0.2 -1,-0.3 0.839 107.6 52.3 -84.0 -29.8 -49.2 -5.1 12.9 395 395 A R H - 0 0 56 0, 0.0 3,-2.0 0, 0.0 -147,-0.3 -0.402 40.1-103.4 -73.0 136.9 -60.5 -15.0 9.4 405 405 A A T 3 S+ 0 0 50 -149,-0.3 -149,-0.2 1,-0.3 -150,-0.1 -0.302 105.1 14.2 -50.5 127.3 -59.3 -18.5 8.7 406 406 A G T 3 S+ 0 0 16 -151,-2.2 -1,-0.3 1,-0.3 -175,-0.1 0.346 86.4 134.0 90.5 -8.4 -58.1 -18.9 5.2 407 407 A Y < - 0 0 33 -3,-2.0 -1,-0.3 -176,-0.1 -22,-0.1 -0.633 64.3-108.6 -76.6 126.0 -57.9 -15.1 4.4 408 408 A P - 0 0 13 0, 0.0 -22,-3.0 0, 0.0 2,-0.4 -0.344 38.7-178.4 -69.6 132.1 -54.6 -14.4 2.7 409 409 A V E -l 386 0D 11 -24,-0.2 2,-0.3 -156,-0.2 -22,-0.2 -0.990 1.0-177.4-123.7 133.4 -52.0 -12.6 4.6 410 410 A Y E +l 387 0D 42 -24,-3.0 -22,-2.2 -2,-0.4 2,-0.3 -0.913 10.5 149.8-125.1 156.2 -48.6 -11.6 3.2 411 411 A S E -l 388 0D 7 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.1 -0.965 48.2-110.5-163.3 179.4 -45.5 -9.9 4.7 412 412 A N + 0 0 5 -24,-0.5 5,-0.1 -2,-0.3 4,-0.1 -0.690 54.6 141.9-121.5 74.8 -41.7 -9.4 4.7 413 413 A R + 0 0 16 -2,-0.4 245,-0.1 3,-0.2 -1,-0.1 0.083 40.6 95.6-111.3 19.8 -40.9 -10.9 8.1 414 414 A G S S- 0 0 11 1,-0.1 244,-0.4 243,-0.1 245,-0.3 0.982 121.2 -14.4 -67.1 -76.9 -37.7 -12.6 7.0 415 415 A A S S- 0 0 1 243,-0.2 206,-0.2 242,-0.1 -2,-0.1 0.360 93.7-127.1-103.6 0.8 -35.4 -9.8 8.2 416 416 A S - 0 0 6 -4,-0.1 -3,-0.2 1,-0.1 -26,-0.0 0.901 37.8-175.9 57.3 40.4 -38.3 -7.4 8.5 417 417 A G - 0 0 10 1,-0.1 3,-0.2 -5,-0.1 -5,-0.1 -0.313 23.0-155.2 -59.0 151.0 -36.7 -4.7 6.4 418 418 A I S S+ 0 0 52 1,-0.1 3,-0.3 -29,-0.1 30,-0.2 0.174 76.6 88.7-112.3 17.1 -38.8 -1.5 6.2 419 419 A D S S+ 0 0 4 1,-0.2 -1,-0.1 28,-0.1 -359,-0.1 0.485 91.6 30.5 -91.7 -5.7 -37.1 -0.7 2.9 420 420 A G S > S+ 0 0 0 -3,-0.2 4,-2.0 -8,-0.1 -1,-0.2 0.159 72.3 120.7-139.6 32.6 -39.4 -2.4 0.4 421 421 A L H > S+ 0 0 0 -3,-0.3 4,-2.5 23,-0.2 5,-0.1 0.858 78.0 44.0 -77.8 -33.4 -42.9 -2.6 1.6 422 422 A L H > S+ 0 0 2 22,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.899 115.8 45.1 -76.3 -42.4 -44.7 -0.7 -1.1 423 423 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.894 113.9 53.0 -66.0 -35.4 -43.0 -2.3 -4.0 424 424 A T H >X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 3,-0.6 0.977 108.5 48.1 -60.4 -54.0 -43.5 -5.6 -2.3 425 425 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.847 108.0 56.8 -54.7 -36.2 -47.2 -4.9 -1.9 426 426 A A H 3X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.904 110.2 43.4 -61.3 -42.5 -47.3 -4.0 -5.6 427 427 A G H - 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