==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 12-OCT-11 3U66 . COMPND 2 MOLECULE: PUTATIVE TYPE VI SECRETION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.DURAND,M.S.ASCHTGEN,A.ZOUED,S.SPINELLI,P.J.H.WATSON,C.CAMB . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 61.3 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 . 1 0.6 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 . 11 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 50.6 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 1 0 1 0 0 0 1 0 1 1 0 0 0 0 1 0 1 1 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 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 6 A I > 0 0 83 0, 0.0 4,-0.7 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0 162.9 14.4 3.2 19.4 2 7 A S H > + 0 0 82 2,-0.2 4,-2.7 3,-0.1 5,-0.1 0.746 360.0 63.4 -91.7 -31.4 17.5 1.0 19.7 3 8 A R H > S+ 0 0 146 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.862 105.4 49.3 -60.4 -35.6 19.8 3.3 17.6 4 9 A A H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.885 110.4 47.8 -68.3 -45.7 19.2 5.9 20.4 5 10 A E H X S+ 0 0 32 -4,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.895 107.5 58.0 -62.9 -40.2 20.0 3.4 23.2 6 11 A Q H < S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.801 106.5 49.3 -54.3 -41.9 23.2 2.4 21.1 7 12 A I H < S+ 0 0 12 -4,-1.0 4,-0.3 -3,-0.3 -1,-0.2 0.853 118.2 37.5 -68.3 -43.7 24.3 6.2 21.3 8 13 A F H X S+ 0 0 2 -4,-1.5 4,-3.2 1,-0.1 5,-0.2 0.605 90.4 92.6 -89.6 -13.5 23.8 6.5 25.1 9 14 A Y H X S+ 0 0 111 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.884 86.1 48.6 -49.8 -51.5 25.0 3.0 26.2 10 15 A P H > S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.925 118.1 42.0 -56.3 -43.6 28.7 4.0 26.9 11 16 A G H > S+ 0 0 0 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.900 113.2 52.4 -66.7 -45.3 27.5 7.0 28.9 12 17 A W H X S+ 0 0 9 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.875 110.3 48.3 -58.6 -40.4 24.7 5.0 30.7 13 18 A L H X S+ 0 0 118 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.901 110.1 53.2 -68.1 -39.1 27.3 2.3 31.7 14 19 A X H X S+ 0 0 12 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.893 110.5 45.6 -61.0 -45.9 29.6 5.1 33.0 15 20 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.906 111.3 53.7 -64.9 -40.2 26.9 6.7 35.2 16 21 A S H X S+ 0 0 51 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.863 110.6 46.7 -60.4 -39.2 26.0 3.1 36.4 17 22 A Q H <>S+ 0 0 107 -4,-2.1 5,-1.5 2,-0.2 3,-0.3 0.890 112.2 49.3 -70.2 -40.4 29.7 2.6 37.4 18 23 A L H ><5S+ 0 0 9 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.839 108.7 54.0 -64.9 -36.8 29.8 6.0 39.2 19 24 A R H 3<5S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.763 100.7 60.9 -67.4 -29.3 26.6 5.2 41.1 20 25 A S T 3<5S- 0 0 79 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.165 120.0-108.2 -84.4 13.7 28.2 1.9 42.3 21 26 A G T < 5 + 0 0 57 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.773 55.5 173.9 63.5 33.8 30.9 3.9 44.1 22 27 A Q < - 0 0 24 -5,-1.5 -1,-0.2 1,-0.1 2,-0.0 -0.397 44.5 -93.5 -67.9 144.2 33.8 3.0 41.7 23 28 A P - 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.404 44.0-172.5 -61.7 132.7 37.1 4.8 42.3 24 29 A V - 0 0 19 -3,-0.1 6,-0.1 -6,-0.0 -2,-0.1 0.685 6.3-178.3-107.2 -19.4 37.1 7.9 40.0 25 30 A E + 0 0 112 4,-0.1 2,-0.1 3,-0.0 0, 0.0 0.147 62.6 43.1 -28.3 119.3 40.6 9.6 40.0 26 31 A D > - 0 0 56 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.625 60.7-173.0-101.7 166.9 40.8 12.1 38.3 27 32 A G H > S+ 0 0 10 2,-0.2 4,-1.6 1,-0.1 5,-0.1 0.897 90.3 42.8 -77.5 -48.9 37.8 14.5 38.6 28 33 A K H > S+ 0 0 59 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.766 112.6 56.8 -69.8 -27.7 38.6 17.1 35.9 29 34 A A H > S+ 0 0 56 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.825 106.5 49.5 -70.1 -35.5 39.6 14.1 33.7 30 35 A L H X S+ 0 0 18 -4,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.876 106.6 54.8 -70.4 -42.1 36.1 12.6 34.1 31 36 A Y H X S+ 0 0 25 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.832 108.5 49.9 -59.0 -36.9 34.4 16.0 33.3 32 37 A R H X S+ 0 0 160 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.908 112.0 45.4 -69.7 -47.6 36.3 16.1 30.0 33 38 A R H X S+ 0 0 133 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.914 112.8 52.8 -61.4 -43.5 35.4 12.5 29.1 34 39 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.922 109.5 48.7 -55.3 -51.5 31.8 13.3 30.1 35 40 A C H X S+ 0 0 13 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.893 111.5 48.7 -54.5 -49.9 31.8 16.4 27.8 36 41 A Q H X S+ 0 0 95 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.835 110.3 52.2 -62.0 -37.0 33.2 14.3 24.8 37 42 A L H X S+ 0 0 23 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.895 110.5 46.8 -66.0 -43.3 30.5 11.7 25.4 38 43 A V H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.919 115.0 47.0 -64.4 -45.6 27.7 14.4 25.3 39 44 A K H X S+ 0 0 89 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.861 112.0 50.7 -64.3 -39.0 29.2 15.9 22.1 40 45 A Q H X S+ 0 0 107 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.890 111.0 49.0 -64.3 -43.3 29.6 12.4 20.5 41 46 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.884 109.2 53.1 -64.1 -40.8 25.9 11.7 21.4 42 47 A R H X S+ 0 0 110 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.916 112.4 42.8 -59.4 -51.6 24.8 15.1 19.8 43 48 A E H X S+ 0 0 55 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.863 116.5 48.9 -64.8 -40.2 26.6 14.4 16.5 44 49 A E H X S+ 0 0 72 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.901 109.3 50.1 -68.4 -45.1 25.3 10.8 16.4 45 50 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 4,-0.2 0.890 112.5 48.5 -60.1 -42.2 21.6 11.6 17.2 46 51 A A H ><5S+ 0 0 66 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.879 112.7 48.0 -64.6 -40.6 21.7 14.3 14.4 47 52 A E H 3<5S+ 0 0 113 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.823 105.7 59.0 -68.7 -34.1 23.3 11.7 11.9 48 53 A A T 3<5S- 0 0 40 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.480 122.9-106.3 -74.8 -4.1 20.7 9.1 13.0 49 54 A G T < 5 + 0 0 65 -3,-0.9 -3,-0.2 1,-0.3 2,-0.2 0.463 67.6 150.0 93.1 4.3 17.9 11.5 11.7 50 55 A F < - 0 0 33 -5,-2.2 -1,-0.3 1,-0.1 -2,-0.1 -0.486 47.3-114.4 -71.6 139.2 16.6 12.7 15.1 51 56 A S > - 0 0 59 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.197 23.1-111.2 -65.9 161.6 15.2 16.2 15.3 52 57 A Q H > S+ 0 0 156 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.896 118.1 58.1 -59.6 -40.8 16.9 19.0 17.4 53 58 A K H > S+ 0 0 169 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.912 113.3 35.6 -52.0 -58.6 13.8 18.8 19.7 54 59 A S H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 116.6 53.3 -68.1 -41.6 14.2 15.1 20.6 55 60 A S H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.942 110.1 50.2 -59.2 -45.6 18.1 15.2 20.6 56 61 A D H X S+ 0 0 65 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.832 111.4 45.8 -64.2 -39.1 17.9 18.1 23.1 57 62 A I H X S+ 0 0 7 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.930 114.9 48.1 -69.6 -44.6 15.5 16.4 25.5 58 63 A X H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.914 115.8 43.9 -59.3 -45.4 17.5 13.1 25.3 59 64 A L H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.794 112.0 54.3 -69.7 -32.2 20.8 14.9 25.9 60 65 A Y H X S+ 0 0 4 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.955 108.6 47.4 -65.2 -52.4 19.2 17.1 28.7 61 66 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.876 114.1 48.9 -57.2 -41.3 18.1 14.0 30.6 62 67 A F H X S+ 0 0 3 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.879 111.3 47.8 -65.8 -44.3 21.5 12.5 30.2 63 68 A C H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 21,-0.2 0.940 115.0 46.6 -60.1 -48.3 23.3 15.7 31.4 64 69 A A H X S+ 0 0 2 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.820 114.2 48.8 -61.4 -37.0 20.9 15.8 34.4 65 70 A L H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.959 115.3 42.1 -68.6 -53.6 21.5 12.1 35.1 66 71 A L H X S+ 0 0 0 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.876 114.3 51.4 -61.9 -43.7 25.4 12.3 34.9 67 72 A D H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 3,-0.4 0.911 111.7 47.8 -60.2 -46.6 25.5 15.6 36.9 68 73 A E H X S+ 0 0 32 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.872 109.3 51.7 -63.5 -42.3 23.4 14.1 39.7 69 74 A S H < S+ 0 0 10 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.717 114.6 44.6 -68.7 -21.7 25.4 10.8 40.0 70 75 A V H >< S+ 0 0 8 -4,-1.1 3,-0.9 -3,-0.4 -2,-0.2 0.850 114.0 47.0 -86.9 -43.3 28.6 12.9 40.3 71 76 A L H 3< S+ 0 0 91 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.817 109.9 52.0 -72.2 -31.4 27.4 15.5 42.9 72 77 A N T 3< S+ 0 0 115 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.182 92.3 109.4 -88.4 14.5 25.7 12.9 45.2 73 78 A R < 0 0 58 -3,-0.9 -54,-0.1 1,-0.1 -3,-0.1 -0.740 360.0 360.0 -95.0 140.0 29.1 11.0 45.3 74 79 A E 0 0 147 -2,-0.3 -1,-0.1 0, 0.0 -4,-0.0 0.994 360.0 360.0 -68.7 360.0 31.4 10.8 48.3 75 ! 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 76 85 A W 0 0 125 0, 0.0 -48,-0.1 0, 0.0 -49,-0.0 0.000 360.0 360.0 360.0-123.3 36.2 17.7 41.4 77 86 A R > + 0 0 70 1,-0.1 4,-0.8 4,-0.0 -6,-0.0 0.623 360.0 98.9 48.3 17.3 34.3 20.9 42.4 78 87 A T H > S+ 0 0 54 2,-0.2 4,-3.9 3,-0.2 -1,-0.1 0.826 89.3 36.1 -90.3 -44.7 34.5 21.5 38.6 79 88 A W H 4 S+ 0 0 1 2,-0.2 -8,-0.1 1,-0.2 -12,-0.0 0.939 116.6 54.2 -70.3 -51.0 30.9 20.2 38.2 80 89 A Q H 4 S+ 0 0 69 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.922 118.2 36.8 -48.3 -49.0 30.0 21.8 41.6 81 90 A Q H < S+ 0 0 61 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.984 144.1 0.5 -66.4 -61.9 31.3 25.1 40.0 82 91 A D S < S- 0 0 106 -4,-3.9 -1,-0.2 -5,-0.0 -2,-0.2 -0.872 77.3-167.7-134.2 97.6 30.0 24.4 36.4 83 92 A P >> - 0 0 8 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.205 39.1 -98.8 -79.0 176.7 28.0 21.2 35.7 84 93 A L H 3> S+ 0 0 0 1,-0.2 4,-2.7 -21,-0.2 5,-0.4 0.783 122.6 58.4 -64.3 -31.7 27.0 19.7 32.3 85 94 A Q H 3> S+ 0 0 18 -22,-0.2 6,-1.6 2,-0.2 4,-0.6 0.751 113.2 39.8 -68.2 -28.2 23.5 21.2 32.5 86 95 A A H <> S+ 0 0 29 -3,-0.7 4,-0.5 4,-0.3 -2,-0.2 0.833 118.1 47.9 -87.4 -38.8 25.1 24.7 32.9 87 96 A H H < S+ 0 0 114 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.2 0.906 128.0 22.7 -68.7 -47.4 27.8 24.0 30.3 88 97 A F H < S+ 0 0 47 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.704 139.9 21.1 -94.7 -25.9 25.5 22.6 27.6 89 98 A F H < S- 0 0 68 -4,-0.6 -3,-0.2 -5,-0.4 -2,-0.1 0.566 92.2-120.1-123.3 -13.8 22.1 24.0 28.5 90 99 A G S < S+ 0 0 67 -4,-0.5 2,-0.3 1,-0.3 -4,-0.3 0.859 73.2 108.0 73.4 39.5 22.5 27.1 30.7 91 100 A T - 0 0 35 -6,-1.6 -1,-0.3 -8,-0.1 -2,-0.2 -0.956 47.4-171.0-141.0 157.6 20.7 25.9 33.8 92 101 A L S S+ 0 0 131 -2,-0.3 3,-0.2 -6,-0.1 -6,-0.1 0.102 83.6 76.0-128.0 10.7 21.5 24.7 37.3 93 102 A N >> + 0 0 66 1,-0.1 4,-2.7 -8,-0.1 3,-0.7 -0.155 48.8 121.7-117.6 35.8 17.9 23.6 37.9 94 103 A A H 3> + 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.802 69.0 66.0 -70.1 -27.3 17.8 20.3 35.9 95 104 A G H 34 S+ 0 0 9 -3,-0.2 35,-2.5 2,-0.2 -1,-0.2 0.806 115.2 29.2 -61.4 -30.4 16.8 18.3 39.0 96 105 A E H X> S+ 0 0 71 -3,-0.7 4,-1.1 33,-0.2 3,-0.6 0.886 121.3 47.2 -95.4 -54.6 13.5 20.3 39.0 97 106 A E H 3X S+ 0 0 26 -4,-2.7 4,-1.9 1,-0.2 -3,-0.2 0.644 100.7 65.1 -72.6 -12.9 12.8 21.1 35.3 98 107 A L H 3X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.876 104.1 48.1 -72.6 -35.5 13.5 17.5 33.9 99 108 A W H <> S+ 0 0 3 -3,-0.6 4,-1.8 -5,-0.3 -2,-0.2 0.878 111.4 50.0 -65.3 -39.8 10.4 16.3 35.9 100 109 A E H X S+ 0 0 105 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.876 111.6 50.0 -63.8 -39.1 8.5 19.3 34.4 101 110 A R H X S+ 0 0 71 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.782 106.8 53.1 -71.3 -34.9 9.8 18.1 31.0 102 111 A I H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 3,-0.3 0.910 108.8 51.2 -66.9 -41.8 8.7 14.5 31.6 103 112 A R H X S+ 0 0 45 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.861 107.3 50.8 -64.3 -42.2 5.2 15.7 32.4 104 113 A E H < S+ 0 0 99 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.737 108.1 54.1 -70.9 -20.4 4.8 17.8 29.2 105 114 A Q H >< S+ 0 0 30 -4,-0.9 3,-0.9 -3,-0.3 -1,-0.2 0.834 106.5 52.3 -76.3 -35.2 6.0 14.8 27.2 106 115 A L H 3< S+ 0 0 22 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.719 99.4 63.2 -72.0 -23.9 3.1 12.8 28.8 107 116 A K T 3< S+ 0 0 152 -4,-1.0 -1,-0.2 2,-0.0 -2,-0.2 0.575 87.8 92.8 -74.5 -12.9 0.6 15.5 27.8 108 117 A L S < S- 0 0 76 -3,-0.9 -3,-0.0 -4,-0.2 0, 0.0 -0.653 74.7-139.6 -84.2 138.7 1.4 14.6 24.1 109 118 A P S S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.924 96.5 15.0 -63.9 -44.0 -0.8 12.0 22.2 110 119 A A S S- 0 0 92 2,-0.0 3,-0.1 0, 0.0 -4,-0.1 -0.591 79.8-176.3-130.2 70.1 2.2 10.3 20.4 111 120 A P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.341 46.7 -82.1 -66.3 151.7 5.5 11.3 22.0 112 121 A D > - 0 0 61 1,-0.1 4,-2.0 2,-0.1 3,-0.4 -0.343 35.1-143.5 -56.7 119.4 8.8 10.0 20.3 113 122 A V H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.865 100.6 56.8 -53.3 -38.8 9.2 6.4 21.7 114 123 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 106.8 48.4 -60.8 -42.8 13.1 7.0 21.7 115 124 A V H > S+ 0 0 2 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.929 111.9 49.1 -63.3 -48.7 12.6 10.1 24.0 116 125 A L H X S+ 0 0 5 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.780 109.6 53.4 -60.1 -34.7 10.3 8.1 26.4 117 126 A T H X S+ 0 0 9 -4,-1.8 4,-2.6 2,-0.2 3,-0.3 0.946 109.6 46.7 -65.7 -50.2 12.9 5.2 26.4 118 127 A C H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.849 110.7 52.2 -60.9 -38.6 15.7 7.6 27.4 119 128 A L H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.799 111.9 47.0 -67.9 -31.3 13.6 9.2 30.2 120 129 A C H X S+ 0 0 7 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.893 112.6 48.8 -74.4 -42.9 12.9 5.7 31.5 121 130 A R H X S+ 0 0 44 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.880 107.7 56.0 -63.3 -38.5 16.6 4.8 31.3 122 131 A T H <>S+ 0 0 2 -4,-2.4 5,-1.9 1,-0.2 4,-0.2 0.900 113.1 40.8 -59.7 -44.9 17.4 8.1 33.2 123 132 A L H ><5S+ 0 0 31 -4,-1.4 3,-0.7 3,-0.2 -2,-0.2 0.810 112.0 55.9 -73.5 -34.5 15.0 7.1 36.1 124 133 A Q H 3<5S+ 0 0 112 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.856 103.5 55.1 -65.2 -39.2 16.2 3.4 36.0 125 134 A L T 3<5S- 0 0 33 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.512 132.9 -83.7 -77.0 -4.8 19.9 4.5 36.5 126 135 A G T < 5 + 0 0 39 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.517 67.7 159.9 118.7 9.3 19.0 6.5 39.6 127 136 A F < + 0 0 9 -5,-1.9 -1,-0.2 1,-0.2 -62,-0.1 -0.483 4.5 154.4 -67.3 125.6 17.8 10.0 38.7 128 137 A T + 0 0 73 -2,-0.3 3,-0.2 -63,-0.1 -1,-0.2 0.724 15.8 168.2-112.9 -50.9 15.8 11.5 41.5 129 138 A G - 0 0 12 1,-0.1 2,-0.3 -65,-0.1 -33,-0.2 -0.262 54.7 -63.5 64.8-152.3 16.1 15.2 41.1 130 139 A Q - 0 0 84 -35,-2.5 2,-0.3 -37,-0.1 -1,-0.1 -0.838 54.6-158.6-134.4 88.8 13.8 17.6 43.1 131 140 A Y + 0 0 37 -2,-0.3 2,-0.3 -3,-0.2 -35,-0.1 -0.574 16.1 172.5 -74.8 132.3 10.2 16.9 42.1 132 141 A R + 0 0 151 -2,-0.3 2,-0.2 -36,-0.2 -2,-0.1 -0.978 8.2 164.1-138.0 143.8 7.7 19.8 42.8 133 142 A S - 0 0 30 -2,-0.3 2,-2.8 2,-0.1 4,-0.1 -0.652 29.7-149.9-165.8 102.0 4.0 20.0 41.8 134 143 A Q S S+ 0 0 207 -2,-0.2 2,-0.2 2,-0.1 -2,-0.0 -0.384 80.5 57.2 -74.6 62.2 1.6 22.5 43.4 135 144 A D S S- 0 0 104 -2,-2.8 -2,-0.1 2,-0.3 0, 0.0 -0.940 108.2 -67.7-169.4-177.9 -1.3 20.0 42.8 136 145 A D S S+ 0 0 101 -2,-0.2 2,-0.4 2,-0.0 -2,-0.1 0.325 92.2 107.9 -69.3 2.1 -2.5 16.4 43.4 137 146 A E - 0 0 63 -4,-0.1 -2,-0.3 4,-0.0 2,-0.2 -0.735 45.5-176.5 -92.5 133.8 0.3 14.8 41.3 138 147 A R > - 0 0 46 -2,-0.4 4,-1.6 1,-0.1 3,-0.5 -0.759 40.6-106.0-120.9 166.0 3.2 12.9 42.8 139 148 A R H > S+ 0 0 101 -2,-0.2 4,-3.1 1,-0.2 3,-0.4 0.937 117.8 60.6 -52.8 -54.5 6.4 11.2 41.5 140 149 A E H > S+ 0 0 41 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.803 108.8 44.3 -42.1 -41.9 4.9 7.7 42.0 141 150 A D H > S+ 0 0 82 -3,-0.5 4,-2.1 2,-0.2 -1,-0.3 0.862 113.0 48.9 -75.6 -41.0 2.1 8.6 39.6 142 151 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.4 -2,-0.2 0.894 112.5 49.5 -66.1 -42.7 4.4 10.3 36.9 143 152 A I H X S+ 0 0 45 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.955 112.4 47.3 -60.1 -51.9 6.7 7.2 37.0 144 153 A R H X S+ 0 0 95 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.871 113.6 48.1 -56.4 -44.5 3.7 4.8 36.5 145 154 A A H X S+ 0 0 38 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.860 114.9 44.2 -65.5 -41.7 2.2 6.9 33.7 146 155 A L H >< S+ 0 0 2 -4,-2.2 3,-0.6 2,-0.2 4,-0.3 0.882 113.8 51.6 -69.5 -42.0 5.6 7.1 31.8 147 156 A T H >< S+ 0 0 16 -4,-2.8 3,-1.1 1,-0.2 6,-0.3 0.860 104.9 57.2 -60.1 -42.0 6.2 3.4 32.5 148 157 A A H 3< S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.697 102.7 54.5 -65.7 -26.5 2.7 2.6 31.0 149 158 A R T << S+ 0 0 98 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.470 101.2 63.3 -91.8 -1.7 3.5 4.2 27.7 150 159 A V X - 0 0 5 -3,-1.1 3,-1.0 -4,-0.3 -1,-0.1 -0.987 64.0-157.6-125.1 121.3 6.7 2.2 26.9 151 160 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.881 91.9 60.7 -64.8 -35.8 6.6 -1.6 26.4 152 161 A A T 3 S+ 0 0 76 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 0.543 105.5 56.6 -65.5 -14.2 10.3 -2.1 27.3 153 162 A F < + 0 0 31 -3,-1.0 2,-0.2 -6,-0.3 -3,-0.2 -0.937 51.5 160.0-131.1 152.4 9.7 -0.6 30.8 154 163 A T - 0 0 114 -2,-0.3 2,-0.3 -34,-0.1 -6,-0.0 -0.817 35.6-101.7-148.3-178.6 7.7 -1.1 34.0 155 164 A F - 0 0 98 -2,-0.2 2,-0.3 -11,-0.1 -2,-0.0 -0.876 27.1-173.6-116.4 151.1 7.8 -0.2 37.7 156 165 A A - 0 0 102 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.986 8.5-154.7-146.0 132.8 8.8 -2.4 40.7 157 166 A Q - 0 0 166 -2,-0.3 2,-0.1 3,-0.0 -2,-0.0 -0.880 16.9-128.4-109.0 139.5 8.6 -1.6 44.4 158 167 A D - 0 0 157 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.491 37.4 -98.3 -77.7 155.4 10.8 -3.2 47.1 159 168 A A - 0 0 79 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.405 51.3 -90.4 -69.2 151.0 9.0 -4.7 50.2 160 169 A P - 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.237 43.3-145.3 -61.9 155.5 8.9 -2.3 53.3 161 170 A V - 0 0 117 -3,-0.1 2,-0.4 0, 0.0 -3,-0.0 -0.900 25.3 -96.1-121.6 152.9 11.7 -2.6 55.7 162 171 A V - 0 0 153 -2,-0.3 2,-0.3 1,-0.0 0, 0.0 -0.560 51.7-175.2 -66.7 116.5 11.8 -2.3 59.5 163 172 A V - 0 0 114 -2,-0.4 -1,-0.0 1,-0.0 0, 0.0 -0.881 30.1-103.7-114.3 151.6 12.9 1.3 60.0 164 173 A R - 0 0 189 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.299 39.3-122.5 -64.2 158.6 13.7 3.1 63.2 165 174 A A - 0 0 60 2,-0.0 3,-0.1 0, 0.0 -1,-0.1 -0.866 16.7-153.2-115.4 109.3 11.0 5.4 64.3 166 175 A P S S+ 0 0 128 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.390 81.8 67.4 -70.4 156.6 11.7 9.2 64.9 167 176 A G S S+ 0 0 89 1,-0.6 2,-0.3 2,-0.2 -2,-0.0 0.542 91.8 104.4 98.0 16.2 9.3 10.7 67.4 168 177 A Y 0 0 167 1,-0.2 -1,-0.6 -3,-0.1 -4,-0.0 -0.778 360.0 360.0-119.6 166.9 11.2 8.4 69.8 169 178 A R 0 0 142 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.942 360.0 360.0 49.8 360.0 13.9 9.0 72.4