==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-APR-99 1QB4 . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.MATSUMURA,M.TERADA,S.SHIRAKATA,T.INOUE,T.YOSHINAGA,K.IZUI, . 874 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 693 79.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 4.7 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 . 33 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 486 55.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.6 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 1 2 2 0 2 3 2 4 0 2 2 2 2 2 1 1 2 1 3 0 0 1 0 1 0 1 1 RESIDUES PER ALPHA HELIX . 2 2 0 1 3 1 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 1 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 Q > 0 0 111 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -76.4 44.3 65.2 -9.8 2 5 A Y T >> + 0 0 63 1,-0.2 4,-2.5 2,-0.1 3,-0.7 0.538 360.0 102.9 -79.5 6.9 44.3 62.3 -12.3 3 6 A S H 3> S+ 0 0 80 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.874 75.7 51.6 -47.8 -54.7 47.8 63.6 -13.4 4 7 A A H <> S+ 0 0 43 -3,-0.6 4,-2.0 1,-0.2 -1,-0.3 0.789 111.2 48.6 -55.6 -38.2 49.7 60.8 -11.5 5 8 A L H <> S+ 0 0 1 -3,-0.7 4,-2.4 -4,-0.3 -1,-0.2 0.896 110.9 50.5 -70.7 -42.8 47.6 58.2 -13.1 6 9 A R H X S+ 0 0 105 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.891 110.4 50.6 -63.9 -35.8 48.1 59.7 -16.6 7 10 A S H X S+ 0 0 65 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.969 109.7 49.5 -64.7 -54.0 51.9 59.8 -16.0 8 11 A N H X S+ 0 0 29 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.889 109.6 50.3 -55.5 -44.2 52.0 56.1 -14.9 9 12 A V H X S+ 0 0 15 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.931 112.7 47.5 -64.1 -39.7 50.1 54.9 -17.9 10 13 A S H X S+ 0 0 67 -4,-1.7 4,-2.1 2,-0.2 3,-0.2 0.906 113.4 49.2 -63.6 -43.5 52.4 56.9 -20.2 11 14 A M H >X S+ 0 0 48 -4,-2.9 4,-2.4 1,-0.2 3,-0.7 0.987 111.9 45.9 -60.9 -56.9 55.4 55.5 -18.4 12 15 A L H 3X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.694 111.7 53.6 -57.9 -26.0 54.3 51.8 -18.6 13 16 A G H 3X S+ 0 0 13 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.2 0.823 106.9 50.7 -78.0 -36.9 53.4 52.3 -22.3 14 17 A K H S+ 0 0 0 -4,-2.0 5,-1.8 2,-0.2 4,-1.4 0.870 108.1 53.3 -73.9 -35.6 58.2 45.6 -28.5 21 24 A K H <5S+ 0 0 42 -4,-2.5 -2,-0.2 -3,-0.3 -3,-0.1 0.995 115.0 41.4 -61.9 -55.7 60.9 47.5 -30.4 22 25 A D H <5S+ 0 0 124 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.972 112.6 60.2 -49.5 -60.1 63.6 45.2 -29.0 23 26 A A H <5S- 0 0 33 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.849 130.0 -44.9 -30.6 -83.5 61.4 42.2 -29.4 24 27 A L T <5S+ 0 0 108 -4,-1.4 2,-0.4 1,-0.2 3,-0.2 0.474 104.5 29.2-140.0 -19.3 60.5 41.8 -33.1 25 28 A G < - 0 0 8 -5,-1.8 -1,-0.2 1,-0.1 4,-0.2 -0.965 18.7-177.1-168.6 163.1 59.6 45.1 -34.5 26 29 A E S > S+ 0 0 162 -2,-0.4 4,-0.8 2,-0.1 -1,-0.1 0.426 103.9 67.4-110.1 -16.7 59.3 48.7 -35.2 27 30 A H H > S+ 0 0 97 2,-0.2 4,-1.7 -3,-0.2 -2,-0.1 0.835 98.2 46.3 -72.5 -43.5 56.8 47.6 -37.8 28 31 A I H > S+ 0 0 12 2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.895 108.9 56.1 -70.2 -41.9 54.2 46.3 -35.4 29 32 A L H > S+ 0 0 41 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.833 109.8 46.2 -59.3 -31.7 54.6 49.5 -33.4 30 33 A E H X S+ 0 0 87 -4,-0.8 4,-2.7 2,-0.2 5,-0.3 0.886 107.8 56.7 -74.8 -38.8 53.7 51.2 -36.6 31 34 A R H X S+ 0 0 41 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.825 114.9 40.5 -56.5 -39.1 50.7 48.6 -37.0 32 35 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.945 115.1 47.9 -78.2 -53.7 49.5 49.9 -33.6 33 36 A E H X S+ 0 0 119 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.852 113.0 48.9 -62.7 -34.1 50.2 53.6 -34.1 34 37 A T H X S+ 0 0 28 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.958 110.1 52.0 -71.2 -46.0 48.5 53.7 -37.5 35 38 A I H X S+ 0 0 0 -4,-1.3 4,-1.6 -5,-0.3 5,-0.2 0.896 111.2 45.7 -60.4 -39.3 45.4 51.8 -36.2 36 39 A R H X S+ 0 0 75 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.976 114.2 48.4 -67.2 -50.3 44.9 54.3 -33.3 37 40 A K H X S+ 0 0 132 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.964 115.0 44.1 -48.6 -57.4 45.4 57.4 -35.5 38 41 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.792 113.5 51.4 -58.9 -34.6 43.0 56.1 -38.2 39 42 A S H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.872 111.5 46.2 -73.2 -42.1 40.4 55.0 -35.7 40 43 A K H X S+ 0 0 161 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.951 114.8 48.8 -68.5 -44.4 40.4 58.4 -33.9 41 44 A S H ><>S+ 0 0 23 -4,-3.0 5,-1.2 -5,-0.3 3,-0.5 0.989 110.4 49.5 -56.5 -61.9 40.2 60.1 -37.2 42 45 A S H ><5S+ 0 0 4 -4,-2.3 3,-1.0 7,-0.3 -1,-0.2 0.792 110.5 50.4 -45.3 -42.9 37.3 58.0 -38.5 43 46 A R H 3<5S+ 0 0 96 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.921 100.9 62.4 -65.3 -43.5 35.3 58.5 -35.4 44 47 A A T <<5S- 0 0 87 -4,-2.0 -1,-0.3 -3,-0.5 -2,-0.2 0.162 129.1 -91.3 -72.5 19.6 35.7 62.2 -35.5 45 48 A G T < 5S+ 0 0 49 -3,-1.0 2,-1.4 1,-0.2 -3,-0.2 0.145 79.2 141.1 92.8 -15.3 33.9 62.2 -38.7 46 49 A N >>< - 0 0 66 -5,-1.2 4,-0.6 1,-0.2 3,-0.6 -0.388 26.6-174.5 -65.2 97.6 36.6 61.9 -41.4 47 50 A D T 34 S+ 0 0 115 -2,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.486 79.6 60.7 -74.3 6.2 35.0 59.6 -43.9 48 51 A A T 3> S+ 0 0 54 2,-0.1 4,-1.6 1,-0.1 -1,-0.2 0.751 103.2 49.8 -95.6 -30.7 38.3 59.4 -46.0 49 52 A N H <> S+ 0 0 39 -3,-0.6 4,-1.4 1,-0.2 -7,-0.3 0.586 101.9 63.8 -77.5 -9.2 40.2 57.9 -43.1 50 53 A R H X S+ 0 0 26 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.835 104.3 46.5 -83.0 -31.8 37.4 55.3 -42.6 51 54 A Q H > S+ 0 0 135 -4,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.906 112.6 49.9 -70.4 -48.1 38.2 53.9 -46.0 52 55 A E H X S+ 0 0 92 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.812 109.8 51.3 -59.9 -40.2 41.9 54.0 -45.1 53 56 A L H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.936 109.8 49.9 -63.5 -51.4 41.1 52.2 -41.8 54 57 A L H X S+ 0 0 44 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.811 114.5 43.5 -58.8 -38.7 39.2 49.5 -43.7 55 58 A T H X S+ 0 0 62 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.930 111.7 54.3 -75.8 -41.8 42.0 49.0 -46.2 56 59 A T H >< S+ 0 0 14 -4,-2.7 3,-0.6 1,-0.2 4,-0.4 0.937 111.4 44.6 -52.9 -53.3 44.7 49.0 -43.5 57 60 A L H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.907 112.2 51.3 -60.4 -44.4 42.9 46.3 -41.5 58 61 A Q H 3< S+ 0 0 99 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.723 106.7 55.8 -65.3 -24.3 42.3 44.2 -44.6 59 62 A N T << S+ 0 0 120 -4,-1.6 -1,-0.3 -3,-0.6 2,-0.3 0.449 77.6 114.6 -88.4 -3.4 45.9 44.4 -45.6 60 63 A L < - 0 0 2 -3,-1.5 2,-0.1 -4,-0.4 -3,-0.0 -0.553 66.7-133.1 -67.5 129.1 47.1 43.0 -42.3 61 64 A S >> - 0 0 58 -2,-0.3 4,-1.7 1,-0.1 3,-1.4 -0.462 21.1-110.3 -78.0 162.8 48.7 39.6 -43.0 62 65 A N H 3> S+ 0 0 44 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.721 119.8 58.8 -63.9 -20.6 47.8 36.7 -40.7 63 66 A D H 34 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.753 105.5 48.8 -82.4 -20.0 51.2 36.8 -39.2 64 67 A E H <> S+ 0 0 21 -3,-1.4 4,-2.4 1,-0.1 5,-0.3 0.839 94.0 79.8 -84.3 -34.8 50.6 40.4 -38.1 65 68 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.828 94.3 38.8 -40.8 -63.5 47.2 39.7 -36.5 66 69 A L H X S+ 0 0 27 -4,-0.6 4,-3.6 2,-0.2 5,-0.3 0.941 116.3 48.7 -60.4 -52.2 48.2 38.2 -33.1 67 70 A P H > S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.916 114.9 47.3 -55.6 -40.4 51.2 40.4 -32.3 68 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.890 115.3 45.4 -64.6 -48.2 49.0 43.5 -33.2 69 72 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 -5,-0.3 5,-0.2 0.966 112.5 49.6 -59.0 -56.6 46.1 42.2 -31.1 70 73 A R H X S+ 0 0 31 -4,-3.6 4,-3.1 2,-0.2 5,-0.2 0.908 109.1 54.3 -53.5 -42.2 48.4 41.2 -28.1 71 74 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 5,-0.3 0.996 110.8 43.9 -55.7 -57.4 50.0 44.7 -28.3 72 75 A F H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.924 114.9 51.5 -55.2 -40.4 46.6 46.4 -28.1 73 76 A S H X S+ 0 0 25 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.884 109.8 49.3 -63.6 -36.5 45.7 43.9 -25.3 74 77 A Q H X S+ 0 0 25 -4,-3.1 4,-2.3 -5,-0.2 5,-0.3 0.930 106.2 53.5 -70.2 -44.5 48.9 44.7 -23.4 75 78 A F H X S+ 0 0 18 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.963 111.1 48.8 -57.7 -42.9 48.5 48.5 -23.5 76 79 A L H X S+ 0 0 2 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.946 107.1 56.0 -60.3 -42.8 45.1 48.0 -22.0 77 80 A N H X S+ 0 0 39 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.915 108.5 46.0 -56.9 -40.5 46.5 45.7 -19.4 78 81 A L H X S+ 0 0 8 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.914 108.6 57.6 -70.5 -36.9 49.0 48.4 -18.2 79 82 A A H X S+ 0 0 2 -4,-2.6 4,-3.5 -5,-0.3 5,-0.2 0.968 107.7 46.1 -55.9 -51.5 46.2 50.9 -18.2 80 83 A N H X S+ 0 0 2 -4,-2.8 4,-3.5 1,-0.2 -1,-0.2 0.878 112.7 50.2 -60.3 -37.8 44.1 48.8 -15.8 81 84 A T H X S+ 0 0 11 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.886 111.9 46.8 -69.8 -34.8 47.2 48.2 -13.5 82 85 A A H X S+ 0 0 1 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.949 115.0 49.9 -66.5 -46.2 47.9 51.9 -13.5 83 86 A E H X S+ 0 0 8 -4,-3.5 4,-1.5 -5,-0.3 -2,-0.2 0.959 113.9 42.5 -56.2 -53.2 44.1 52.3 -12.8 84 87 A Q H X S+ 0 0 12 -4,-3.5 4,-1.0 -5,-0.2 -1,-0.3 0.884 111.2 55.6 -65.1 -34.0 44.1 49.8 -9.9 85 88 A Y H >X S+ 0 0 11 -4,-2.2 4,-1.9 1,-0.2 3,-1.3 0.969 106.5 51.0 -61.7 -49.0 47.4 51.1 -8.4 86 89 A H H 3< S+ 0 0 10 -4,-2.2 8,-0.8 1,-0.3 7,-0.2 0.839 103.1 62.3 -50.6 -37.9 45.9 54.6 -8.2 87 90 A S H 3< S+ 0 0 20 -4,-1.5 8,-2.9 -5,-0.2 -1,-0.3 0.790 111.9 32.7 -67.1 -32.8 42.9 53.3 -6.4 88 91 A I H << S+ 0 0 14 -3,-1.3 8,-0.3 -4,-1.0 -1,-0.2 0.648 93.9 103.9-100.9 -12.5 44.7 51.9 -3.4 89 92 A S S <>S- 0 0 7 -4,-1.9 5,-0.8 -5,-0.2 3,-0.4 -0.456 73.9-131.8 -68.9 131.5 47.5 54.5 -3.2 90 93 A P T 5S+ 0 0 115 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.724 105.4 58.5 -56.3 -22.1 46.9 57.0 -0.4 91 94 A K T 5S+ 0 0 84 -87,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.541 112.2 40.3-106.7 62.1 47.6 59.9 -2.9 92 95 A G T 5S- 0 0 20 -2,-0.6 -5,-0.2 -3,-0.4 -6,-0.1 -0.844 130.5 -41.1-175.9-162.5 44.8 58.9 -5.2 93 96 A E T 5S- 0 0 119 -2,-0.3 -6,-0.2 -7,-0.2 -5,-0.1 0.739 70.4-151.6 -59.6 -16.6 41.3 57.6 -4.3 94 97 A A > < - 0 0 18 -8,-0.8 3,-1.9 -5,-0.8 -6,-0.3 0.815 17.7-176.3 53.2 41.0 42.8 55.4 -1.5 95 98 A A T 3 S+ 0 0 30 -8,-2.9 -7,-0.2 1,-0.3 -1,-0.1 0.639 75.5 50.1 -40.1 -32.8 40.3 52.5 -1.4 96 99 A S T 3 S+ 0 0 19 -8,-0.3 -1,-0.3 -9,-0.2 -2,-0.1 0.102 72.2 125.3-101.4 25.2 41.8 50.7 1.6 97 100 A N X - 0 0 88 -3,-1.9 3,-2.1 1,-0.1 2,-0.5 -0.750 67.1-128.2 -81.0 120.8 42.1 53.6 4.1 98 101 A P T 3> S+ 0 0 35 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.317 95.2 88.3 -52.1 6.8 40.3 52.5 7.2 99 102 A E H 3> S+ 0 0 76 -2,-0.5 4,-4.5 1,-0.2 5,-0.3 0.803 75.4 71.6 -76.3 -25.0 38.2 55.7 7.3 100 103 A V H <> S+ 0 0 22 -3,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.859 105.9 36.6 -52.9 -43.8 35.8 53.8 5.1 101 104 A I H > S+ 0 0 5 -3,-0.4 4,-3.1 -4,-0.2 5,-0.3 0.951 119.2 48.6 -73.8 -53.0 34.9 51.7 8.1 102 105 A A H X S+ 0 0 4 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.841 105.0 57.7 -55.6 -37.8 35.2 54.6 10.6 103 106 A R H X S+ 0 0 137 -4,-4.5 4,-2.4 2,-0.2 -1,-0.2 0.954 111.3 44.2 -60.4 -45.8 33.0 57.0 8.6 104 107 A T H X S+ 0 0 4 -4,-1.0 4,-2.1 -5,-0.3 -2,-0.2 0.976 115.4 47.4 -62.0 -52.6 30.3 54.3 8.7 105 108 A L H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.819 110.7 51.6 -61.1 -30.2 30.8 53.7 12.5 106 109 A R H X S+ 0 0 101 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.991 106.8 53.4 -70.1 -49.1 30.9 57.4 13.3 107 110 A K H < S+ 0 0 95 -4,-2.4 -2,-0.2 1,-0.2 3,-0.2 0.910 113.0 44.3 -44.7 -58.2 27.6 58.0 11.5 108 111 A L H >< S+ 0 0 1 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.976 109.2 54.9 -52.5 -63.0 26.0 55.2 13.5 109 112 A K H 3< S+ 0 0 66 -4,-1.9 2,-0.6 1,-0.3 -1,-0.2 0.814 111.5 44.2 -44.9 -41.1 27.4 56.2 16.9 110 113 A N T 3< S+ 0 0 114 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.416 84.1 110.5-112.8 68.4 26.1 59.7 16.8 111 114 A Q X - 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e 0 471A 11 76,-1.4 78,-1.0 -2,-0.3 -143,-0.1 -0.940 43.6 -98.6-137.0 154.6 21.9 21.5 -10.7 395 398 A E E > - e 0 472A 63 -2,-0.3 4,-0.9 76,-0.2 78,-0.2 -0.329 26.3-125.4 -75.8 160.0 18.7 22.3 -12.5 396 399 A S H >> S+ 0 0 9 76,-1.7 4,-2.1 1,-0.2 3,-0.8 0.912 109.0 63.2 -64.9 -44.2 15.3 21.3 -11.0 397 400 A T H 3> S+ 0 0 63 1,-0.3 4,-2.5 75,-0.2 -1,-0.2 0.899 97.1 56.7 -47.0 -43.2 14.4 19.5 -14.2 398 401 A R H 3> S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.908 106.4 49.3 -62.7 -35.4 17.3 17.1 -13.8 399 402 A H H S+ 0 0 0 -4,-1.6 5,-1.5 1,-0.3 6,-0.8 0.894 111.3 50.5 -52.0 -46.7 9.5 5.7 -9.9 408 411 A R H ><5S+ 0 0 112 -4,-2.6 3,-1.4 1,-0.2 -1,-0.3 0.944 108.7 53.5 -61.9 -41.3 8.8 4.0 -13.2 409 412 A Y H 3<5S+ 0 0 112 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.884 109.1 47.6 -61.5 -35.6 11.5 1.4 -12.5 410 413 A L H 3<5S- 0 0 69 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.526 111.5-122.1 -79.8 -7.4 9.8 0.5 -9.2 411 414 A G T <<5S+ 0 0 68 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.1 0.594 78.3 122.6 72.7 15.3 6.4 0.3 -10.8 412 415 A I S > - 0 0 45 -2,-0.3 3,-1.5 1,-0.1 4,-0.9 -0.829 34.3-161.7-130.7 92.7 5.6 8.2 -13.2 415 418 A Y G >4 S+ 0 0 0 -12,-0.4 3,-0.7 -2,-0.3 2,-0.2 0.845 86.2 64.3 -41.4 -41.5 6.6 11.2 -11.0 416 419 A E G 34 S+ 0 0 70 1,-0.2 -1,-0.3 -16,-0.2 -12,-0.1 0.277 105.3 45.5 -78.6 28.2 6.9 13.7 -13.9 417 420 A S G <4 S+ 0 0 91 -3,-1.5 -1,-0.2 -2,-0.2 -2,-0.2 0.491 87.7 101.4-133.2 -25.9 3.2 13.3 -14.7 418 421 A W S << S- 0 0 52 -4,-0.9 -5,-0.0 -3,-0.7 5,-0.0 -0.424 79.1-111.5 -67.4 143.2 1.8 13.6 -11.3 419 422 A S > - 0 0 61 1,-0.1 4,-2.2 -2,-0.1 3,-0.3 -0.113 38.3 -97.5 -60.0 167.2 0.3 17.0 -10.4 420 423 A E H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.806 121.9 57.0 -62.8 -33.6 2.2 19.0 -7.8 421 424 A A H > S+ 0 0 71 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.891 109.6 46.5 -71.6 -32.4 -0.0 17.9 -4.8 422 425 A D H > S+ 0 0 88 -3,-0.3 4,-3.2 2,-0.2 -2,-0.2 0.875 109.2 54.8 -71.5 -43.8 0.7 14.2 -5.6 423 426 A K H X S+ 0 0 27 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.930 111.2 44.2 -60.8 -42.8 4.5 15.0 -6.0 424 427 A Q H X S+ 0 0 23 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.905 112.7 53.3 -66.3 -35.8 4.5 16.5 -2.5 425 428 A A H X S+ 0 0 51 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.956 113.0 42.4 -59.5 -52.6 2.4 13.7 -1.2 426 429 A F H X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.945 115.9 49.9 -59.4 -48.7 4.9 11.1 -2.6 427 430 A L H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.885 111.7 46.1 -61.4 -44.7 7.9 13.2 -1.4 428 431 A I H X S+ 0 0 49 -4,-3.4 4,-1.5 -5,-0.2 -1,-0.2 0.902 111.7 52.8 -67.6 -35.3 6.6 13.7 2.2 429 432 A R H >X S+ 0 0 141 -4,-2.2 4,-1.0 -5,-0.3 3,-0.6 0.982 116.2 38.7 -59.5 -57.1 5.7 10.0 2.4 430 433 A E H 3< S+ 0 0 24 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.861 109.6 59.4 -62.3 -40.5 9.2 8.8 1.3 431 434 A L H 3< S+ 0 0 16 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.868 113.8 40.2 -58.4 -31.5 11.0 11.6 3.3 432 435 A N H << S+ 0 0 103 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.689 95.9 109.4 -91.0 -15.3 9.4 10.1 6.4 433 436 A S < - 0 0 36 -4,-1.0 -3,-0.0 -3,-0.4 -4,-0.0 -0.276 54.1-158.8 -64.2 142.4 9.9 6.5 5.3 434 437 A K S S+ 0 0 203 2,-0.1 -1,-0.1 -2,-0.0 -4,-0.1 0.486 72.2 82.1 -97.0 -10.2 12.3 4.2 7.0 435 438 A R S S- 0 0 194 1,-0.1 -2,-0.1 -5,-0.1 0, 0.0 -0.826 85.9-115.2-100.6 137.6 12.6 1.7 4.2 436 439 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.023 21.5-166.2 -58.8 172.6 15.0 2.7 1.4 437 440 A L + 0 0 15 1,-0.1 52,-0.0 52,-0.1 -2,-0.0 0.608 58.4 93.6-133.6 -30.5 13.9 3.5 -2.2 438 441 A L S S- 0 0 51 1,-0.1 2,-0.1 51,-0.1 -1,-0.1 -0.606 81.3-119.2 -76.1 120.0 17.0 3.5 -4.3 439 442 A P > - 0 0 33 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.381 18.5-130.6 -61.0 130.8 17.6 0.1 -5.7 440 443 A R T 3 S+ 0 0 105 1,-0.3 2,-0.5 -2,-0.1 -2,-0.0 0.881 97.4 21.6 -52.2 -49.0 20.9 -1.4 -4.6 441 444 A N T 3 S+ 0 0 162 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.783 89.2 160.9-130.3 88.6 22.2 -2.5 -8.0 442 445 A W < - 0 0 28 -3,-0.5 -4,-0.0 -2,-0.5 -2,-0.0 -0.654 37.5-143.5-107.2 163.8 20.4 -0.4 -10.5 443 446 A Q + 0 0 136 -2,-0.2 -2,-0.0 6,-0.0 6,-0.0 -0.445 33.1 165.7-123.6 53.6 21.0 0.5 -14.2 444 447 A P - 0 0 28 0, 0.0 2,-0.1 0, 0.0 -42,-0.0 0.079 42.1 -87.0 -67.1-175.0 19.8 4.1 -14.7 445 448 A S > - 0 0 49 1,-0.1 4,-2.4 -43,-0.0 5,-0.2 -0.407 45.0 -97.8 -87.1 166.2 20.6 6.3 -17.7 446 449 A A H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.956 121.9 49.0 -51.5 -56.4 23.7 8.5 -17.8 447 450 A E H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.944 112.7 45.8 -49.3 -59.4 21.9 11.6 -16.7 448 451 A T H > S+ 0 0 6 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.898 110.1 54.2 -53.9 -45.0 20.1 10.1 -13.7 449 452 A R H X S+ 0 0 140 -4,-2.4 4,-4.3 2,-0.2 5,-0.3 0.910 106.6 53.0 -56.5 -42.5 23.3 8.3 -12.5 450 453 A E H X S+ 0 0 48 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.956 109.2 47.7 -59.2 -51.2 25.0 11.7 -12.5 451 454 A V H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.983 116.9 44.7 -54.7 -47.6 22.3 13.2 -10.4 452 455 A L H X S+ 0 0 27 -4,-3.2 4,-1.3 -5,-0.2 -2,-0.2 0.928 113.0 49.0 -61.7 -44.5 22.6 10.1 -8.1 453 456 A D H X S+ 0 0 41 -4,-4.3 4,-2.4 1,-0.2 3,-0.4 0.955 105.4 57.8 -63.7 -42.6 26.4 10.0 -7.9 454 457 A T H X S+ 0 0 3 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.939 105.0 49.8 -54.0 -45.4 26.7 13.7 -7.1 455 458 A C H X S+ 0 0 2 -4,-1.7 4,-3.1 -5,-0.3 -1,-0.3 0.867 107.5 56.5 -63.9 -29.6 24.6 13.4 -4.0 456 459 A Q H X S+ 0 0 73 -4,-1.3 4,-2.9 -3,-0.4 -1,-0.2 0.919 106.5 48.7 -69.0 -37.6 26.8 10.4 -3.1 457 460 A V H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.988 111.7 48.8 -62.0 -54.3 29.8 12.7 -3.3 458 461 A I H >< S+ 0 0 1 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.959 116.8 43.1 -45.4 -57.6 28.1 15.3 -1.1 459 462 A A H 3< S+ 0 0 23 -4,-3.1 -1,-0.2 1,-0.2 34,-0.2 0.849 114.3 50.2 -57.6 -38.6 27.2 12.6 1.3 460 463 A E H 3< S+ 0 0 116 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.794 95.5 90.2 -69.3 -31.7 30.7 11.0 1.2 461 464 A A S << S- 0 0 14 -4,-2.7 5,-0.1 -3,-0.6 4,-0.1 -0.332 90.9 -93.5 -71.5 145.6 32.5 14.4 1.8 462 465 A P > - 0 0 38 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.308 51.2 -93.8 -60.4 143.8 33.3 15.6 5.2 463 466 A Q T 3 S+ 0 0 110 1,-0.2 -4,-0.0 2,-0.1 -5,-0.0 -0.370 113.2 33.9 -59.5 128.8 30.7 17.9 6.8 464 467 A G T 3 S+ 0 0 36 2,-0.4 -1,-0.2 -2,-0.1 3,-0.1 0.527 90.8 94.6 99.6 9.0 31.6 21.5 6.1 465 468 A S S < S+ 0 0 6 -3,-1.2 -75,-2.1 1,-0.2 2,-0.5 0.733 83.5 52.1 -93.0 -35.9 33.1 20.9 2.6 466 469 A I E -e 390 0A 11 -4,-0.3 -2,-0.4 -77,-0.2 -75,-0.2 -0.938 64.2-170.1-107.4 122.0 29.9 21.7 0.9 467 470 A A E - 0 0 7 -77,-2.9 2,-0.3 -2,-0.5 -76,-0.2 0.902 62.8 -22.8 -83.7 -42.6 28.1 25.0 1.7 468 471 A A E - 0 0 0 -78,-0.5 -76,-2.2 28,-0.1 2,-0.6 -0.990 48.6-119.7-162.9 162.5 24.8 24.5 -0.0 469 472 A Y E -ef 392 498A 2 28,-2.3 30,-2.6 -2,-0.3 2,-0.4 -0.936 34.2-159.1-107.9 117.9 22.8 22.7 -2.8 470 473 A V E -ef 393 499A 0 -78,-3.2 -76,-1.4 -2,-0.6 2,-0.7 -0.865 5.4-153.7 -98.2 135.2 21.4 25.4 -5.2 471 474 A I E > -ef 394 500A 0 28,-3.0 30,-2.3 -2,-0.4 3,-0.9 -0.845 10.1-157.1-112.2 94.6 18.5 24.5 -7.4 472 475 A S E 3 S+ef 395 501A 1 -78,-1.0 -76,-1.7 -2,-0.7 -75,-0.2 -0.313 78.7 23.6 -67.2 152.7 18.5 26.6 -10.5 473 476 A M T 3 S+ 0 0 59 28,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.846 79.9 173.9 60.6 33.2 15.0 26.9 -12.1 474 477 A A < + 0 0 1 27,-1.4 -1,-0.2 -3,-0.9 29,-0.2 -0.551 8.7 160.2 -70.6 123.3 13.1 26.2 -8.9 475 478 A K + 0 0 94 -2,-0.5 -1,-0.2 1,-0.2 39,-0.1 0.748 54.0 20.3-116.5 -25.4 9.4 26.7 -9.6 476 479 A T S >> S- 0 0 41 1,-0.1 3,-1.3 38,-0.0 4,-0.7 -0.889 80.4 -97.3-139.9 172.8 7.3 24.8 -7.0 477 480 A P H >> S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 3,-0.6 0.852 118.5 62.1 -64.0 -30.1 7.6 23.3 -3.4 478 481 A S H 3> S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.855 92.9 67.3 -66.8 -24.7 8.2 19.8 -4.8 479 482 A D H <> S+ 0 0 14 -3,-1.3 4,-0.9 2,-0.2 -1,-0.2 0.908 107.4 37.2 -60.9 -40.5 11.4 21.2 -6.4 480 483 A V H < S+ 0 0 68 -4,-1.9 3,-1.2 -3,-0.3 4,-0.3 0.914 110.8 47.5 -64.4 -43.3 18.3 11.3 2.1 489 492 A E H 3< S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 105.3 60.2 -65.2 -32.2 18.6 8.4 -0.3 490 493 A A T 3< S- 0 0 25 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.567 118.3-112.4 -75.5 -8.3 22.3 9.2 -0.7 491 494 A G < + 0 0 50 -3,-1.2 2,-0.4 -4,-0.4 -3,-0.1 0.901 48.9 174.0 79.6 93.3 22.8 8.7 3.0 492 495 A I - 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0 0 129 -4,-0.4 -3,-0.1 1,-0.2 -4,-0.1 0.848 68.0 -45.0 46.1 52.7 16.2 24.3 11.8 530 533 A G T 3 > + 0 0 1 -35,-3.2 4,-2.8 -2,-0.6 3,-0.7 -0.499 29.0 161.1 -89.1 72.3 18.3 35.3 -10.2 538 541 A Y H 3> S+ 0 0 17 -2,-1.4 4,-3.1 1,-0.3 5,-0.2 0.953 72.5 49.1 -52.4 -59.8 18.5 38.9 -11.3 539 542 A S H 3> S+ 0 0 11 39,-0.5 4,-0.6 -3,-0.2 -1,-0.3 0.753 114.5 43.5 -53.6 -33.5 20.5 38.3 -14.4 540 543 A D H X> S+ 0 0 14 -3,-0.7 4,-2.4 2,-0.2 3,-0.7 0.899 112.3 51.3 -85.3 -39.1 18.3 35.6 -15.8 541 544 A S H 3X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 5,-0.5 0.964 108.3 54.1 -59.9 -41.4 15.0 37.3 -15.0 542 545 A A H 3X S+ 0 0 8 -4,-3.1 4,-1.9 -5,-0.3 -1,-0.3 0.840 105.8 52.1 -60.9 -28.2 16.4 40.4 -16.8 543 546 A K H << S+ 0 0 32 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.877 114.9 45.3 -70.6 -35.6 17.1 38.1 -19.8 544 547 A D H < S+ 0 0 22 -4,-2.4 -2,-0.2 -41,-0.1 -3,-0.2 1.000 136.2 4.4 -65.4 -66.4 13.4 37.0 -19.5 545 548 A A H < S- 0 0 0 -4,-2.6 4,-0.4 1,-0.3 120,-0.2 0.317 105.8 -98.4-106.5 0.1 11.7 40.4 -19.0 546 549 A G X - 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