==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-MAY-05 2BTD . COMPND 2 MOLECULE: PTS-DEPENDENT DIHYDROXYACETONE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.E.OBERHOLZER,P.SCHNEIDER,C.BACHLER,U.BAUMANN,B.ERNI . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 76.6 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 . 3 1.4 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 . 1 0.5 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 0 0 0 1 0 0 1 1 1 2 2 0 1 0 0 0 0 0 0 0 0 0 0 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S 0 0 95 0, 0.0 2,-0.5 0, 0.0 100,-0.2 0.000 360.0 360.0 360.0 155.6 -18.4 -11.1 9.8 2 3 A L E -A 100 0A 2 98,-2.2 98,-0.9 148,-0.1 96,-0.1 -0.953 360.0-134.7-114.7 121.8 -16.0 -10.4 12.7 3 4 A S E > -A 99 0A 37 -2,-0.5 4,-2.3 96,-0.2 96,-0.2 -0.299 15.4-121.0 -80.6 151.7 -14.5 -13.5 14.3 4 5 A R H > S+ 0 0 27 94,-2.0 4,-2.1 1,-0.2 5,-0.2 0.919 117.0 51.9 -46.2 -45.3 -14.2 -14.2 17.9 5 6 A T H > S+ 0 0 92 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.863 104.1 55.3 -75.0 -30.6 -10.5 -14.5 17.4 6 7 A Q H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.914 107.9 50.9 -55.3 -44.0 -10.3 -11.1 15.7 7 8 A I H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.909 109.5 48.9 -62.8 -38.6 -12.0 -9.8 18.8 8 9 A V H X S+ 0 0 23 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.888 110.2 53.2 -65.4 -34.2 -9.4 -11.5 20.9 9 10 A N H X S+ 0 0 51 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.887 104.6 55.1 -70.4 -38.9 -6.8 -10.0 18.6 10 11 A W H X S+ 0 0 10 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.953 108.1 47.2 -44.4 -60.4 -8.3 -6.5 19.2 11 12 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.881 110.7 53.8 -62.3 -35.2 -7.9 -6.8 22.9 12 13 A T H X S+ 0 0 50 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.926 109.8 46.2 -59.3 -48.2 -4.4 -8.0 22.4 13 14 A R H X S+ 0 0 85 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.839 108.7 56.3 -66.9 -36.0 -3.5 -5.0 20.2 14 15 A C H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.917 102.9 55.5 -57.0 -48.5 -5.2 -2.7 22.9 15 16 A G H X S+ 0 0 6 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.922 111.8 44.8 -44.5 -47.2 -2.8 -4.3 25.4 16 17 A D H >X S+ 0 0 99 -4,-1.5 4,-3.0 2,-0.2 3,-0.8 0.986 113.0 46.4 -67.9 -56.0 -0.0 -3.1 23.1 17 18 A I H 3X S+ 0 0 24 -4,-3.1 4,-2.7 1,-0.3 -1,-0.2 0.878 112.3 51.6 -54.9 -40.0 -1.2 0.4 22.3 18 19 A F H 3< S+ 0 0 1 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.800 112.6 47.1 -71.7 -24.3 -1.9 1.0 26.0 19 20 A S H X< S+ 0 0 67 -4,-1.3 3,-1.2 -3,-0.8 4,-0.3 0.967 116.7 41.9 -71.0 -59.4 1.6 -0.1 26.8 20 21 A T H 3< S+ 0 0 105 -4,-3.0 3,-0.3 1,-0.2 4,-0.3 0.826 120.4 41.7 -54.2 -39.1 3.2 2.0 24.0 21 22 A E T 3X S+ 0 0 55 -4,-2.7 4,-3.0 -5,-0.3 5,-0.3 0.211 78.5 108.9-106.2 14.0 1.1 5.1 24.6 22 23 A S H <> S+ 0 0 15 -3,-1.2 4,-2.5 2,-0.2 5,-0.2 0.962 83.5 44.7 -44.2 -60.3 1.1 5.1 28.4 23 24 A E H > S+ 0 0 139 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.908 114.7 48.1 -55.1 -48.1 3.4 8.1 28.5 24 25 A Y H > S+ 0 0 97 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.939 112.8 46.7 -64.3 -49.3 1.6 10.0 25.8 25 26 A L H X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 12,-0.3 0.839 112.6 50.7 -61.9 -33.4 -1.8 9.4 27.4 26 27 A T H X S+ 0 0 4 -4,-2.5 4,-0.9 -5,-0.3 -1,-0.2 0.833 106.8 56.6 -73.7 -30.6 -0.4 10.4 30.7 27 28 A G H >X S+ 0 0 20 -4,-2.4 3,-1.7 -5,-0.2 4,-1.7 0.986 106.2 48.3 -54.5 -59.4 0.9 13.5 29.0 28 29 A L H 3X S+ 0 0 25 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.843 112.0 50.5 -49.7 -36.4 -2.5 14.5 27.9 29 30 A D H 3< S+ 0 0 20 -4,-1.3 6,-2.4 2,-0.2 4,-0.4 0.573 103.7 57.8 -88.7 -10.7 -3.9 13.9 31.4 30 31 A R H X< S+ 0 0 154 -3,-1.7 3,-1.0 -4,-0.9 -2,-0.2 0.947 104.6 51.9 -74.6 -61.1 -1.2 16.0 33.1 31 32 A E H 3< S+ 0 0 101 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.816 132.4 13.1 -36.4 -47.0 -2.2 19.1 31.0 32 33 A I T 3< S+ 0 0 2 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.2 0.039 130.4 11.6-133.4 29.3 -5.9 18.6 32.0 33 34 A G S < S- 0 0 22 -3,-1.0 143,-0.0 -4,-0.4 -4,-0.0 -0.883 100.7 -52.9-170.3-152.5 -6.1 16.2 34.9 34 35 A D S S- 0 0 77 -2,-0.3 -4,-0.2 1,-0.0 -5,-0.1 0.183 70.0-111.4 -93.9 18.9 -4.0 14.3 37.5 35 36 A A S S+ 0 0 23 -6,-2.4 -5,-0.2 -10,-0.1 -9,-0.1 0.933 88.0 105.6 60.3 47.2 -1.5 12.7 35.1 36 37 A D > + 0 0 38 -7,-0.2 4,-2.8 -11,-0.1 5,-0.2 0.520 37.6 97.2-132.3 -2.6 -2.7 9.2 35.6 37 38 A H H > S+ 0 0 9 -12,-0.3 4,-2.3 1,-0.2 -11,-0.2 0.821 88.5 46.4 -65.9 -34.8 -4.7 8.0 32.5 38 39 A G H > S+ 0 0 0 -16,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 114.5 48.3 -76.2 -40.6 -1.9 6.2 30.7 39 40 A L H > S+ 0 0 90 -17,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.935 114.0 48.5 -55.6 -46.2 -0.9 4.5 34.0 40 41 A N H X S+ 0 0 10 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.889 113.3 44.6 -64.5 -42.4 -4.6 3.6 34.5 41 42 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.780 113.3 50.3 -77.5 -27.0 -5.2 2.2 31.0 42 43 A N H X S+ 0 0 44 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.915 109.3 50.8 -80.3 -42.8 -2.0 0.2 30.9 43 44 A R H X S+ 0 0 110 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.911 114.9 45.5 -51.0 -50.8 -2.7 -1.4 34.2 44 45 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.928 117.5 38.7 -66.7 -48.2 -6.1 -2.3 33.1 45 46 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.800 109.7 59.3 -82.9 -22.9 -5.4 -3.7 29.6 46 47 A S H X S+ 0 0 39 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.926 111.3 44.0 -69.2 -37.7 -2.2 -5.4 30.6 47 48 A K H X S+ 0 0 82 -4,-1.6 4,-1.0 -5,-0.3 -2,-0.2 0.889 110.3 55.8 -62.5 -38.9 -4.4 -7.3 33.0 48 49 A V H < S+ 0 0 1 -4,-1.9 3,-0.4 1,-0.2 4,-0.4 0.915 111.3 44.0 -59.9 -38.0 -7.0 -7.8 30.3 49 50 A V H >< S+ 0 0 41 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.813 103.8 60.6 -86.7 -31.8 -4.4 -9.4 28.1 50 51 A E H 3< S+ 0 0 142 -4,-1.8 4,-0.3 1,-0.2 -1,-0.3 0.762 106.7 52.4 -61.9 -22.8 -2.8 -11.6 30.7 51 52 A K T 3X S+ 0 0 90 -4,-1.0 4,-1.8 -3,-0.4 3,-0.5 0.620 85.2 84.6 -90.6 -13.3 -6.2 -13.2 31.0 52 53 A L H <> S+ 0 0 9 -3,-0.9 4,-2.2 -4,-0.4 -1,-0.2 0.886 79.9 62.3 -61.1 -44.2 -6.8 -13.9 27.4 53 54 A P H 4 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.881 110.2 41.0 -50.5 -45.4 -4.9 -17.2 27.3 54 55 A A H 4 S+ 0 0 90 -3,-0.5 3,-0.3 -4,-0.3 -2,-0.2 0.865 127.0 31.8 -65.3 -41.1 -7.5 -18.7 29.8 55 56 A I H >< S+ 0 0 15 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.463 85.5 102.1-103.4 1.9 -10.6 -17.1 28.3 56 57 A A T 3< S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.3 -48,-0.1 0.614 82.4 49.7 -67.5 -13.9 -9.8 -17.0 24.6 57 58 A D T 3 S+ 0 0 135 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.582 90.2 91.9-103.2 -11.5 -11.8 -20.0 23.6 58 59 A K S < S- 0 0 87 -3,-1.3 2,-0.0 1,-0.2 -3,-0.0 -0.086 90.8 -76.4 -68.7 179.6 -15.1 -19.0 25.4 59 60 A D > - 0 0 38 1,-0.1 4,-2.2 4,-0.0 3,-0.2 -0.281 42.0-101.1 -85.6 172.1 -17.7 -17.1 23.4 60 61 A I H > S+ 0 0 0 37,-1.3 4,-2.8 1,-0.3 5,-0.3 0.907 121.3 52.4 -61.8 -46.4 -17.6 -13.4 22.5 61 62 A G H > S+ 0 0 8 1,-0.2 4,-2.5 36,-0.2 5,-0.3 0.897 109.6 51.1 -51.7 -44.2 -20.0 -12.4 25.3 62 63 A F H > S+ 0 0 77 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 111.6 46.2 -64.1 -40.1 -17.8 -14.2 27.8 63 64 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.948 115.7 44.4 -70.2 -46.2 -14.6 -12.5 26.7 64 65 A L H X S+ 0 0 1 -4,-2.8 4,-3.8 2,-0.2 -2,-0.2 0.943 115.2 47.9 -60.9 -48.1 -16.1 -8.9 26.6 65 66 A K H X S+ 0 0 97 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.936 114.5 46.5 -61.5 -42.0 -17.9 -9.3 29.9 66 67 A N H X S+ 0 0 38 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.924 113.2 48.4 -68.8 -42.9 -14.8 -10.7 31.5 67 68 A T H X S+ 0 0 2 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.949 107.9 57.5 -50.6 -55.7 -12.7 -7.9 29.9 68 69 A G H X S+ 0 0 0 -4,-3.8 4,-3.1 1,-0.2 -2,-0.2 0.920 109.0 44.1 -36.2 -59.6 -15.3 -5.5 31.2 69 70 A M H X S+ 0 0 79 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.843 109.2 55.2 -68.3 -34.7 -14.8 -6.6 34.8 70 71 A T H X S+ 0 0 8 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.972 113.4 42.6 -55.9 -51.9 -11.1 -6.7 34.6 71 72 A L H X>S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.6 0.956 112.8 53.8 -58.7 -54.2 -11.2 -3.0 33.5 72 73 A L H <5S+ 0 0 73 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.820 119.3 33.7 -41.2 -43.2 -13.8 -2.3 36.1 73 74 A S H <5S+ 0 0 97 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.716 128.9 35.0 -91.5 -19.1 -11.6 -3.7 38.8 74 75 A S H <5S+ 0 0 5 -4,-2.1 -3,-0.2 -3,-0.3 -2,-0.2 0.776 102.9 58.5-115.3 -32.7 -8.3 -2.7 37.4 75 76 A V T <5S- 0 0 0 -4,-3.0 -3,-0.1 -5,-0.2 -32,-0.1 0.948 76.8-177.4 -69.7 -50.1 -8.2 0.7 35.6 76 77 A G >< + 0 0 31 -5,-0.6 4,-1.6 -4,-0.2 3,-0.4 -0.104 37.3 67.2 76.7-179.8 -9.4 2.9 38.4 77 78 A G T 4 S- 0 0 48 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 -0.221 111.5 -46.9 56.6-154.8 -10.1 6.6 38.4 78 79 A A T > S+ 0 0 65 1,-0.2 4,-0.7 2,-0.1 -1,-0.2 0.772 134.5 53.8 -84.0 -28.8 -13.0 7.8 36.3 79 80 A S H > S+ 0 0 11 -3,-0.4 4,-3.5 2,-0.2 5,-0.3 0.850 94.8 69.1 -76.1 -37.1 -12.4 6.0 33.0 80 81 A G H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.3 5,-0.2 0.909 101.9 42.8 -49.3 -57.5 -12.2 2.5 34.5 81 82 A P H > S+ 0 0 36 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.843 116.9 51.2 -59.6 -33.4 -15.9 2.2 35.5 82 83 A L H X S+ 0 0 31 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.925 112.5 41.2 -74.8 -45.0 -16.7 3.7 32.1 83 84 A F H X S+ 0 0 0 -4,-3.5 4,-2.2 2,-0.2 5,-0.2 0.927 116.3 53.2 -65.7 -41.6 -14.7 1.4 29.9 84 85 A G H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.3 5,-0.3 0.938 109.5 46.5 -48.3 -55.0 -15.8 -1.5 32.1 85 86 A T H X S+ 0 0 7 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.888 108.6 57.7 -62.7 -36.0 -19.4 -0.6 31.7 86 87 A F H X S+ 0 0 2 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.961 112.2 38.8 -60.4 -46.5 -18.8 -0.2 28.0 87 88 A F H X S+ 0 0 1 -4,-2.2 4,-3.5 2,-0.2 -2,-0.2 0.927 115.1 51.9 -76.1 -42.9 -17.6 -3.8 27.6 88 89 A I H X S+ 0 0 31 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.941 114.2 43.7 -55.2 -49.0 -20.0 -5.3 30.1 89 90 A R H < S+ 0 0 88 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.785 112.2 53.6 -69.0 -26.2 -22.9 -3.7 28.2 90 91 A A H < S+ 0 0 1 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.916 103.5 58.9 -69.9 -43.1 -21.3 -4.7 25.0 91 92 A A H >< S+ 0 0 6 -4,-3.5 3,-2.2 2,-0.1 2,-0.3 0.957 99.2 58.5 -45.0 -65.9 -21.2 -8.3 26.3 92 93 A Q T 3< S+ 0 0 110 -4,-1.8 3,-0.1 1,-0.3 19,-0.0 -0.595 97.5 53.6 -69.1 129.0 -25.0 -8.5 26.8 93 94 A A T 3 S+ 0 0 35 -2,-0.3 2,-0.6 18,-0.0 -1,-0.3 -0.055 94.5 87.7 114.3 -26.7 -26.3 -7.8 23.2 94 95 A T S < S- 0 0 9 -3,-2.2 2,-0.7 -4,-0.2 -33,-0.2 -0.770 72.2-157.7-110.0 76.9 -23.9 -10.6 22.4 95 96 A Q - 0 0 158 -2,-0.6 -35,-0.1 1,-0.2 -3,-0.1 -0.485 64.1 -66.6 -38.9 97.9 -26.0 -13.8 22.8 96 97 A A S S+ 0 0 70 -2,-0.7 -1,-0.2 -37,-0.1 -4,-0.0 0.480 88.4 167.1 19.4 44.1 -23.1 -16.3 23.3 97 98 A R - 0 0 107 -3,-0.1 -37,-1.3 1,-0.1 -36,-0.2 0.013 38.2-156.5 -81.6-169.7 -22.1 -15.7 19.7 98 99 A Q S S+ 0 0 79 1,-0.6 -94,-2.0 -39,-0.2 2,-0.3 0.396 80.6 18.6-149.7 -27.2 -18.8 -16.7 18.0 99 100 A S E S-A 3 0A 36 -96,-0.2 -1,-0.6 -95,-0.1 2,-0.4 -0.832 75.9-133.3-132.4-175.7 -18.7 -14.2 15.2 100 101 A L E -A 2 0A 1 -98,-0.9 -98,-2.2 -2,-0.3 2,-0.1 -0.992 3.5-138.8-143.6 134.0 -20.5 -10.8 14.7 101 102 A T > - 0 0 65 -2,-0.4 4,-2.1 -100,-0.2 5,-0.2 -0.443 35.7-109.8 -74.4 158.7 -22.4 -9.1 11.9 102 103 A L H > S+ 0 0 16 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.951 123.7 54.3 -45.3 -50.7 -21.9 -5.4 11.2 103 104 A E H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.835 107.8 47.4 -59.8 -33.3 -25.4 -5.0 12.6 104 105 A E H > S+ 0 0 62 2,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.804 111.1 51.4 -80.6 -25.0 -24.5 -6.8 15.8 105 106 A L H X S+ 0 0 4 -4,-2.1 4,-2.9 -3,-0.4 5,-0.3 0.934 109.8 50.4 -70.6 -50.7 -21.3 -4.8 16.2 106 107 A Y H X S+ 0 0 18 -4,-3.0 4,-3.6 1,-0.2 3,-0.3 0.972 112.4 46.3 -44.8 -63.0 -23.4 -1.6 15.8 107 108 A Q H X S+ 0 0 77 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.833 113.0 50.5 -52.3 -35.0 -25.9 -2.7 18.4 108 109 A M H X S+ 0 0 6 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.871 113.5 43.7 -78.6 -33.2 -23.1 -3.7 20.7 109 110 A F H X S+ 0 0 2 -4,-2.9 4,-3.4 -3,-0.3 5,-0.2 0.928 112.0 55.5 -69.8 -42.3 -21.4 -0.4 20.3 110 111 A R H X S+ 0 0 61 -4,-3.6 4,-2.4 -5,-0.3 -2,-0.2 0.893 112.7 41.0 -54.4 -45.1 -24.8 1.3 20.7 111 112 A D H X S+ 0 0 49 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 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0.671 39.9 162.3 67.5 21.3 -23.9 11.5 32.0 122 123 A A - 0 0 9 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.504 24.7-150.1 -74.5 143.8 -21.7 13.3 29.5 123 124 A E > - 0 0 128 -2,-0.2 3,-2.5 1,-0.1 4,-0.2 -0.781 37.1 -79.4-103.8 157.5 -23.3 15.2 26.7 124 125 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.311 121.8 28.1 -50.4 133.3 -21.8 15.7 23.2 125 126 A G T 3 S+ 0 0 33 3,-0.1 47,-0.3 -3,-0.0 -3,-0.0 0.286 85.6 110.0 93.1 -8.8 -19.4 18.6 23.5 126 127 A D S < S- 0 0 17 -3,-2.5 48,-2.2 47,-0.1 49,-0.8 0.619 88.1-114.6 -68.7 -13.6 -18.5 18.0 27.2 127 128 A K S S+ 0 0 1 1,-0.2 2,-0.3 -4,-0.2 65,-0.1 0.944 71.0 115.0 80.5 52.4 -15.0 16.8 26.3 128 129 A T S > S- 0 0 21 -5,-0.2 3,-2.3 64,-0.1 4,-0.4 -0.809 85.6 -78.3-136.0 178.8 -15.0 13.1 27.3 129 130 A M T >> S+ 0 0 9 1,-0.3 4,-2.4 -2,-0.3 3,-2.1 0.809 121.5 72.0 -46.8 -34.1 -14.7 9.6 25.7 130 131 A C H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.703 83.6 66.8 -57.5 -23.8 -18.3 10.1 24.7 131 132 A D H <4 S+ 0 0 17 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.640 111.6 35.5 -75.0 -15.6 -17.3 12.6 22.1 132 133 A V H <> S+ 0 0 0 -3,-2.1 4,-2.1 -4,-0.4 -2,-0.2 0.780 114.6 55.6 -94.8 -43.0 -15.6 9.7 20.4 133 134 A W H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.905 104.7 53.8 -56.9 -45.3 -18.2 7.0 21.3 134 135 A V H X S+ 0 0 51 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.943 112.9 38.9 -61.2 -53.8 -21.1 8.9 19.8 135 136 A P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.871 116.0 53.6 -65.1 -34.3 -19.7 9.5 16.3 136 137 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.974 110.4 46.9 -61.8 -53.3 -18.1 6.0 16.3 137 138 A V H X S+ 0 0 1 -4,-3.3 4,-1.9 -5,-0.2 -1,-0.2 0.890 112.9 50.6 -50.0 -39.7 -21.5 4.5 17.1 138 139 A E H X S+ 0 0 93 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.845 107.6 52.3 -74.0 -35.1 -23.1 6.7 14.4 139 140 A S H X S+ 0 0 12 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.916 109.2 49.4 -59.4 -48.5 -20.5 5.6 11.8 140 141 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.892 108.3 55.9 -64.3 -36.4 -21.3 2.0 12.5 141 142 A R H X S+ 0 0 122 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.923 113.0 38.6 -61.3 -44.9 -25.0 2.8 12.2 142 143 A Q H X S+ 0 0 73 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.829 113.4 55.2 -78.2 -28.6 -24.6 4.2 8.7 143 144 A S H <>S+ 0 0 6 -4,-2.7 5,-2.0 1,-0.2 -2,-0.2 0.913 110.0 48.5 -67.6 -39.0 -22.0 1.6 7.7 144 145 A S H ><5S+ 0 0 13 -4,-2.7 3,-1.5 -5,-0.2 -2,-0.2 0.859 105.6 56.7 -64.2 -39.7 -24.6 -0.9 8.7 145 146 A E H 3<5S+ 0 0 134 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.916 111.9 43.8 -55.7 -43.1 -27.3 0.9 6.7 146 147 A Q T 3<5S- 0 0 107 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.313 107.4-128.4 -86.3 9.4 -25.1 0.5 3.6 147 148 A N T < 5 + 0 0 144 -3,-1.5 -3,-0.2 1,-0.1 -4,-0.1 0.881 44.8 170.8 38.2 50.6 -24.2 -3.1 4.4 148 149 A L < - 0 0 58 -5,-2.0 -46,-0.2 1,-0.1 2,-0.1 -0.357 41.9 -91.1 -71.4 165.2 -20.5 -2.5 4.1 149 150 A S > - 0 0 63 1,-0.1 4,-2.7 -2,-0.1 3,-0.5 -0.476 36.0-109.9 -74.2 155.9 -18.2 -5.3 5.2 150 151 A V H > S+ 0 0 5 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.924 115.9 53.0 -48.9 -52.1 -17.0 -5.4 8.8 151 152 A P H > S+ 0 0 41 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.850 113.2 42.3 -56.9 -37.3 -13.4 -4.4 7.9 152 153 A V H > S+ 0 0 72 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.911 114.8 49.3 -83.7 -39.4 -14.4 -1.4 5.9 153 154 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.916 112.5 50.0 -49.4 -47.3 -17.0 -0.2 8.4 154 155 A L H X S+ 0 0 0 -4,-3.2 4,-1.4 -5,-0.3 50,-0.3 0.859 110.0 49.3 -69.8 -31.5 -14.4 -0.7 11.1 155 156 A E H X S+ 0 0 102 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.802 112.7 48.1 -74.1 -29.3 -11.8 1.3 9.2 156 157 A A H X S+ 0 0 31 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.947 111.1 49.5 -73.9 -51.2 -14.4 4.1 8.7 157 158 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.829 108.6 58.4 -49.2 -35.4 -15.3 4.0 12.3 158 159 A S H X S+ 0 0 5 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.918 106.1 42.8 -70.0 -45.1 -11.6 4.2 13.0 159 160 A S H X S+ 0 0 45 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.854 111.7 54.8 -76.3 -29.3 -10.9 7.5 11.2 160 161 A I H X S+ 0 0 61 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.916 104.5 56.0 -58.4 -43.8 -14.0 9.1 12.6 161 162 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.897 107.0 49.8 -50.7 -42.4 -12.5 8.1 15.9 162 163 A E H X S+ 0 0 76 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.965 113.7 43.6 -63.7 -52.7 -9.4 10.1 15.0 163 164 A S H X S+ 0 0 71 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.881 113.7 51.6 -55.5 -41.6 -11.3 13.2 13.9 164 165 A A H < S+ 0 0 7 -4,-2.9 4,-0.4 2,-0.2 -1,-0.2 0.867 110.1 48.1 -72.9 -33.2 -13.6 13.0 16.9 165 166 A A H >< S+ 0 0 0 -4,-1.9 3,-1.4 -5,-0.3 25,-0.4 0.941 112.0 50.2 -68.7 -47.5 -10.7 12.8 19.3 166 167 A Q H >< S+ 0 0 129 -4,-2.5 3,-2.2 1,-0.3 4,-0.4 0.896 103.4 61.1 -52.2 -47.0 -9.0 15.7 17.6 167 168 A S T 3< S+ 0 0 65 -4,-2.8 4,-0.4 1,-0.3 3,-0.4 0.649 93.0 66.2 -61.2 -14.8 -12.2 17.7 17.9 168 169 A T T X S+ 0 0 0 -3,-1.4 3,-0.5 -4,-0.4 -1,-0.3 0.689 79.6 77.9 -80.0 -13.6 -12.0 17.4 21.6 169 170 A I T < S+ 0 0 52 -3,-2.2 18,-2.8 -4,-0.3 19,-1.1 0.925 100.6 42.1 -60.2 -33.1 -8.9 19.6 21.8 170 171 A T T 3 S+ 0 0 101 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.624 94.5 94.8 -88.1 -17.9 -11.2 22.6 21.3 171 172 A M S < S- 0 0 28 -3,-0.5 2,-0.4 -4,-0.4 17,-0.3 -0.439 75.1-124.3 -76.7 151.2 -14.1 21.6 23.6 172 173 A Q - 0 0 43 -47,-0.3 2,-0.4 14,-0.1 11,-0.1 -0.823 32.4-109.2 -94.8 137.3 -14.1 22.9 27.2 173 174 A A + 0 0 3 9,-0.5 -46,-0.2 -2,-0.4 9,-0.2 -0.496 40.8 168.2 -71.8 123.6 -14.4 20.2 29.7 174 175 A R + 0 0 151 -48,-2.2 2,-0.3 -2,-0.4 -1,-0.2 0.375 64.4 56.4-102.4 -1.9 -17.8 20.0 31.5 175 176 A K S S- 0 0 77 -49,-0.8 4,-0.5 -48,-0.1 3,-0.5 -0.970 94.1 -5.3-138.7 147.0 -17.1 16.6 33.1 176 177 A G S > S- 0 0 43 -2,-0.3 3,-2.0 1,-0.2 4,-0.5 0.061 106.8 -36.4 67.6-174.9 -14.6 14.9 35.3 177 178 A R G > S+ 0 0 136 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.684 130.4 66.3 -53.5 -24.3 -11.3 16.3 36.6 178 179 A A G > S+ 0 0 9 -3,-0.5 3,-1.6 1,-0.3 -1,-0.3 0.819 91.0 63.0 -71.7 -29.3 -10.6 18.2 33.4 179 180 A S G X S+ 0 0 36 -3,-2.0 3,-2.2 -4,-0.5 -1,-0.3 0.779 87.3 73.2 -64.0 -25.5 -13.6 20.5 34.1 180 181 A Y G < S+ 0 0 171 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.759 93.7 54.3 -60.1 -24.1 -11.7 21.6 37.2 181 182 A L G X S- 0 0 68 -3,-1.6 3,-2.4 -4,-0.3 -1,-0.3 0.505 88.1-174.2 -85.5 -5.2 -9.5 23.5 34.8 182 183 A G G X S+ 0 0 22 -3,-2.2 3,-2.4 1,-0.3 -9,-0.5 -0.176 70.3 6.1 41.0-124.2 -12.4 25.3 33.2 183 184 A E G > S+ 0 0 156 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.650 122.5 71.7 -62.8 -15.4 -11.3 27.5 30.3 184 185 A R G < S+ 0 0 201 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.559 83.2 70.0 -80.6 -7.8 -7.8 26.1 30.6 185 186 A S G X S+ 0 0 0 -3,-2.4 3,-1.3 -4,-0.1 2,-0.3 0.665 77.7 96.2 -78.5 -18.1 -9.0 22.7 29.3 186 187 A I T < S+ 0 0 77 -3,-1.0 -16,-0.2 -4,-0.3 -14,-0.1 -0.570 80.1 36.7 -70.4 134.3 -9.5 24.3 25.8 187 188 A G T 3 S+ 0 0 39 -18,-2.8 2,-0.4 -2,-0.3 -1,-0.2 0.378 100.2 95.7 103.4 -0.2 -6.5 23.7 23.6 188 189 A H S < S- 0 0 69 -3,-1.3 -1,-0.2 -19,-1.1 2,-0.1 -0.985 72.2-122.9-131.2 130.0 -5.9 20.1 25.0 189 190 A Q - 0 0 31 -2,-0.4 -157,-0.1 1,-0.1 -20,-0.1 -0.414 34.2-111.7 -63.2 133.9 -7.0 16.7 23.6 190 191 A D > - 0 0 19 -25,-0.4 4,-1.2 1,-0.1 -22,-0.1 -0.535 16.6-147.6 -66.8 129.9 -9.0 14.6 26.0 191 192 A P H >> S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 3,-0.6 0.965 97.1 49.7 -56.4 -59.0 -7.2 11.4 27.2 192 193 A G H 3> S+ 0 0 7 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.917 111.2 50.2 -50.9 -47.2 -10.3 9.2 27.5 193 194 A A H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.850 108.3 53.5 -63.0 -31.2 -11.3 10.2 24.0 194 195 A T H < S+ 0 0 71 -4,-2.1 3,-2.9 1,-0.2 -2,-0.2 0.985 108.8 54.2 -60.5 -63.0 -6.4 -3.5 12.5 206 207 A A H 3< S+ 0 0 9 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 115.1 42.9 -37.6 -33.6 -7.6 -6.7 14.2 207 208 A A T 3< S+ 0 0 1 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.483 84.3 133.8-101.2 -2.9 -10.2 -6.9 11.5 208 209 A K < 0 0 152 -3,-2.9 -3,-0.1 -4,-0.4 -56,-0.0 -0.170 360.0 360.0 -61.6 144.5 -8.0 -6.0 8.6 209 210 A E 0 0 215 -58,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.857 360.0 360.0 -57.0 360.0 -8.5 -8.2 5.5