==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 22-JUN-12 4FPD . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SP. NRC-1; . AUTHOR T.WANG,A.O.SESSIONS,C.S.LUNDE,S.ROUANI,R.M.GLAESER,M.T.FACCI . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 85.8 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 . 5 2.2 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 . 1 0.4 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 0.4 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 . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 2 0 1 0 1 0 0 0 0 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 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 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 5 A T 0 0 114 0, 0.0 6,-0.1 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 157.2 22.7 24.6 -14.9 2 6 A G + 0 0 69 4,-0.1 4,-0.1 3,-0.0 0, 0.0 0.899 360.0 108.1 -88.6 -51.6 24.2 27.4 -17.1 3 7 A R S > S- 0 0 69 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.022 76.8-126.0 -28.7 127.6 22.9 30.7 -15.5 4 8 A P T > S+ 0 0 81 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.749 104.2 61.0 -58.2 -28.1 26.0 32.1 -13.9 5 9 A E T >> S+ 0 0 7 1,-0.2 4,-2.0 2,-0.1 3,-1.1 0.600 72.7 94.9 -77.4 -14.6 24.4 32.4 -10.5 6 10 A W H <> S+ 0 0 103 -3,-1.8 4,-2.9 1,-0.3 5,-0.2 0.835 81.9 57.8 -45.9 -38.4 23.6 28.7 -10.1 7 11 A I H <> S+ 0 0 65 -3,-0.6 4,-2.0 -4,-0.3 -1,-0.3 0.875 108.2 43.4 -63.5 -39.2 26.8 28.3 -8.1 8 12 A W H <> S+ 0 0 65 -3,-1.1 4,-1.4 -4,-0.2 -1,-0.2 0.819 116.9 47.3 -75.7 -31.5 25.9 30.9 -5.5 9 13 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.854 113.4 48.3 -75.4 -36.0 22.4 29.5 -5.3 10 14 A A H X S+ 0 0 25 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.874 113.1 48.3 -68.7 -39.2 23.8 25.9 -5.0 11 15 A L H X S+ 0 0 66 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.815 112.2 49.3 -69.6 -32.0 26.2 27.1 -2.3 12 16 A G H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 5,-0.3 0.872 110.8 49.1 -74.8 -38.1 23.3 28.8 -0.5 13 17 A T H X S+ 0 0 14 -4,-2.0 4,-1.6 40,-0.2 -2,-0.2 0.875 113.4 47.5 -67.8 -39.6 21.2 25.7 -0.7 14 18 A A H X S+ 0 0 45 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.977 116.5 42.5 -64.2 -55.8 24.0 23.6 0.6 15 19 A L H X S+ 0 0 61 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.925 115.0 47.0 -59.5 -53.1 24.9 26.0 3.5 16 20 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.917 113.4 52.2 -56.4 -41.3 21.3 26.8 4.6 17 21 A G H X S+ 0 0 11 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.2 0.869 110.7 46.2 -61.0 -41.2 20.7 23.0 4.5 18 22 A L H X S+ 0 0 103 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.882 112.2 51.6 -68.4 -42.3 23.7 22.2 6.7 19 23 A G H X S+ 0 0 7 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.879 108.8 49.1 -64.4 -41.6 22.8 25.0 9.1 20 24 A T H X S+ 0 0 16 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.851 112.1 49.7 -68.4 -32.9 19.2 23.8 9.6 21 25 A L H X S+ 0 0 104 -4,-1.3 4,-2.1 -5,-0.2 3,-0.3 0.935 110.1 50.2 -69.5 -44.9 20.4 20.2 10.1 22 26 A Y H X S+ 0 0 108 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.868 112.5 47.5 -59.4 -36.7 22.9 21.4 12.7 23 27 A F H X S+ 0 0 1 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.729 108.2 55.3 -78.4 -24.1 20.1 23.3 14.5 24 28 A L H < S+ 0 0 93 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.878 114.2 39.9 -73.4 -41.1 17.8 20.3 14.4 25 29 A V H >< S+ 0 0 105 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.909 114.2 52.3 -73.9 -44.8 20.4 18.1 16.2 26 30 A K H 3< S+ 0 0 65 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.839 101.8 63.3 -59.1 -33.1 21.5 20.9 18.5 27 31 A G T >< S+ 0 0 25 -4,-1.1 3,-0.7 -5,-0.1 2,-0.7 0.343 80.9 98.1 -76.7 7.3 17.8 21.4 19.5 28 32 A M T < S+ 0 0 154 -3,-1.8 3,-0.1 1,-0.2 -3,-0.0 -0.882 78.7 37.1-101.9 115.5 17.6 17.9 20.9 29 33 A G T 3 S+ 0 0 84 -2,-0.7 2,-0.6 1,-0.4 -1,-0.2 0.355 85.8 124.3 121.9 6.3 18.0 17.9 24.7 30 34 A V < + 0 0 32 -3,-0.7 -1,-0.4 1,-0.1 -3,-0.0 -0.881 15.1 149.1 -99.6 121.5 16.1 21.1 25.1 31 35 A S + 0 0 98 -2,-0.6 -1,-0.1 -3,-0.1 -3,-0.0 0.405 37.3 111.5-128.2 -10.1 13.2 20.9 27.5 32 36 A D S >> S- 0 0 96 1,-0.1 4,-2.2 2,-0.0 3,-0.9 -0.568 70.9-132.8 -70.2 122.3 13.2 24.4 28.8 33 37 A P H 3> S+ 0 0 88 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.691 103.7 40.9 -51.0 -23.8 10.1 26.1 27.5 34 38 A D H 3> S+ 0 0 93 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.693 109.8 54.2 -99.9 -22.1 12.0 29.3 26.4 35 39 A A H <> S+ 0 0 21 -3,-0.9 4,-1.6 2,-0.2 5,-0.1 0.784 106.7 58.7 -74.9 -27.0 15.1 27.5 25.0 36 40 A K H X S+ 0 0 106 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.873 104.6 47.7 -67.1 -39.5 12.5 25.7 22.9 37 41 A K H X S+ 0 0 92 -4,-0.6 4,-2.5 -5,-0.2 5,-0.2 0.933 112.0 48.7 -67.3 -47.9 11.1 28.9 21.4 38 42 A F H X S+ 0 0 7 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.834 114.3 47.0 -61.9 -33.1 14.6 30.2 20.5 39 43 A Y H X S+ 0 0 45 -4,-1.6 4,-1.6 2,-0.2 5,-0.2 0.837 109.1 53.6 -78.0 -34.1 15.4 26.8 18.9 40 44 A A H X S+ 0 0 52 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.969 115.9 40.5 -61.0 -53.0 12.1 26.7 17.0 41 45 A I H X S+ 0 0 12 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.934 114.7 49.6 -58.3 -55.3 12.9 30.2 15.6 42 46 A T H < S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.754 116.7 42.8 -60.1 -29.6 16.7 29.7 14.9 43 47 A T H X S+ 0 0 15 -4,-1.6 4,-1.1 2,-0.1 -1,-0.2 0.853 110.7 53.0 -86.5 -39.2 16.0 26.4 13.1 44 48 A L H X S+ 0 0 86 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.886 99.6 64.1 -64.5 -41.6 13.0 27.4 11.0 45 49 A V H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 3,-0.5 0.952 108.3 37.3 -48.9 -64.7 14.8 30.5 9.5 46 50 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.771 113.1 60.8 -62.6 -22.7 17.5 28.5 7.6 47 51 A A H X S+ 0 0 30 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.895 109.2 41.0 -68.8 -41.0 14.9 25.8 6.8 48 52 A I H X S+ 0 0 36 -4,-2.4 4,-2.3 -3,-0.5 5,-0.2 0.885 114.3 52.8 -71.2 -41.3 12.7 28.3 4.9 49 53 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.855 106.0 55.4 -61.9 -36.1 15.8 29.9 3.4 50 54 A F H X S+ 0 0 70 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.922 109.3 45.4 -63.2 -45.7 16.9 26.4 2.2 51 55 A T H X S+ 0 0 65 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.888 114.5 47.4 -67.2 -40.4 13.6 25.8 0.3 52 56 A M H X S+ 0 0 44 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.835 111.2 51.1 -71.4 -32.4 13.6 29.3 -1.2 53 57 A Y H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -40,-0.2 0.862 110.1 49.9 -70.6 -36.4 17.2 29.0 -2.3 54 58 A L H X S+ 0 0 59 -4,-1.9 4,-3.1 2,-0.2 6,-0.2 0.859 107.2 54.6 -69.0 -36.0 16.5 25.6 -3.9 55 59 A S H <>S+ 0 0 16 -4,-1.7 6,-1.7 2,-0.2 5,-1.4 0.876 111.3 45.2 -65.8 -37.3 13.5 27.1 -5.8 56 60 A M H <5S+ 0 0 0 -4,-1.5 3,-0.3 4,-0.2 -2,-0.2 0.880 114.6 48.5 -71.4 -40.0 15.8 29.8 -7.2 57 61 A L H <5S+ 0 0 27 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.906 113.1 46.4 -64.7 -44.6 18.4 27.1 -8.1 58 62 A L T <5S- 0 0 128 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.527 118.9-115.1 -76.1 -7.7 15.9 24.9 -9.7 59 63 A G T > 5S+ 0 0 25 -4,-0.3 3,-0.8 -3,-0.3 -3,-0.2 0.388 88.8 107.5 90.9 -1.8 14.5 27.9 -11.6 60 64 A Y T 3 + 0 0 1 -2,-0.5 3,-1.1 -13,-0.2 4,-0.4 -0.598 21.3 176.5 -78.0 89.4 14.2 36.2 -8.3 76 80 A W T >> + 0 0 74 -2,-1.6 3,-1.1 1,-0.2 4,-0.9 0.785 68.0 77.8 -64.7 -25.2 10.8 36.8 -6.7 77 81 A A H 3> S+ 0 0 0 -16,-2.0 4,-1.9 1,-0.3 3,-0.3 0.774 80.2 66.4 -56.1 -32.4 11.6 33.8 -4.3 78 82 A R H <> S+ 0 0 0 -3,-1.1 4,-3.2 -17,-0.3 -1,-0.3 0.890 99.3 51.8 -56.8 -42.0 13.9 35.9 -2.1 79 83 A Y H <> S+ 0 0 6 -3,-1.1 4,-1.6 -4,-0.4 -1,-0.2 0.801 106.6 52.7 -66.7 -30.9 10.9 38.0 -1.0 80 84 A A H X S+ 0 0 28 -4,-0.9 4,-0.7 -3,-0.3 -1,-0.2 0.871 112.6 46.9 -70.8 -35.8 9.0 34.9 -0.1 81 85 A D H >X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 3,-2.0 0.997 115.0 43.4 -62.8 -67.8 12.0 33.9 2.0 82 86 A W H 3X S+ 0 0 18 -4,-3.2 4,-1.7 1,-0.3 -2,-0.2 0.747 102.7 70.7 -50.9 -28.3 12.5 37.2 3.7 83 87 A L H 3< S+ 0 0 73 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.828 115.2 21.4 -63.1 -31.3 8.7 37.5 4.2 84 88 A F H S+ 0 0 28 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.908 114.2 48.3 -60.1 -40.0 9.7 38.4 11.2 88 92 A L H X S+ 0 0 42 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.831 109.2 51.8 -69.0 -35.2 11.1 35.3 12.8 89 93 A L H X S+ 0 0 19 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.865 111.6 46.2 -70.7 -36.4 14.6 36.9 13.2 90 94 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.783 107.4 60.3 -72.9 -28.9 13.1 40.0 14.9 91 95 A L H X S+ 0 0 48 -4,-1.4 4,-2.2 -5,-0.2 5,-0.2 0.916 105.6 46.8 -63.4 -45.0 11.0 37.7 17.1 92 96 A G H X S+ 0 0 3 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.915 114.0 47.2 -63.8 -42.2 14.2 36.1 18.4 93 97 A L H X S+ 0 0 4 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.851 112.8 49.5 -67.6 -36.5 15.7 39.5 19.0 94 98 A A H <>S+ 0 0 3 -4,-2.4 5,-2.5 2,-0.2 -1,-0.2 0.843 108.7 50.3 -72.1 -37.5 12.6 40.8 20.7 95 99 A L H ><5S+ 0 0 51 -4,-2.2 3,-0.8 3,-0.2 -1,-0.2 0.832 111.2 55.0 -67.4 -31.1 12.2 37.8 23.1 96 100 A L H 3<5S+ 0 0 37 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.939 108.9 41.5 -62.8 -56.4 15.9 38.5 23.9 97 101 A V T 3<5S- 0 0 18 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.054 111.9-121.6 -84.6 23.9 15.5 42.1 24.9 98 102 A D T < 5 + 0 0 109 -3,-0.8 -3,-0.2 1,-0.1 -2,-0.1 0.781 48.4 179.8 32.7 46.3 12.3 41.0 26.7 99 103 A A < - 0 0 31 -5,-2.5 -1,-0.1 -6,-0.1 2,-0.1 -0.290 26.5-105.0 -67.7 154.7 10.4 43.5 24.6 100 104 A D > - 0 0 101 1,-0.1 4,-1.7 -2,-0.0 3,-0.4 -0.298 28.7-103.3 -80.3 167.9 6.6 43.9 25.1 101 105 A Q H > S+ 0 0 172 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.855 118.2 55.6 -57.7 -42.1 3.9 42.5 22.9 102 106 A G H > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.861 107.4 49.4 -61.3 -38.5 3.1 46.0 21.4 103 107 A T H > S+ 0 0 42 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.880 108.2 53.0 -68.1 -41.0 6.7 46.5 20.3 104 108 A I H X S+ 0 0 40 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.893 109.3 51.3 -60.2 -40.8 6.8 43.0 18.7 105 109 A L H X S+ 0 0 130 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.835 110.5 47.4 -66.4 -35.3 3.6 44.0 16.8 106 110 A A H X S+ 0 0 34 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.942 114.6 45.8 -71.7 -48.0 5.2 47.3 15.5 107 111 A L H X S+ 0 0 3 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.924 116.9 44.2 -59.1 -50.1 8.5 45.6 14.4 108 112 A V H X S+ 0 0 52 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.904 114.8 47.1 -65.3 -45.3 6.7 42.7 12.7 109 113 A G H X S+ 0 0 37 -4,-1.9 4,-2.2 1,-0.2 3,-0.2 0.933 114.0 48.3 -61.5 -46.1 4.1 44.9 10.9 110 114 A A H X S+ 0 0 15 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.778 110.8 53.0 -63.6 -28.9 6.7 47.3 9.8 111 115 A D H X S+ 0 0 1 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.791 106.0 51.6 -77.2 -32.4 8.8 44.4 8.6 112 116 A G H X S+ 0 0 32 -4,-1.8 4,-3.2 -3,-0.2 -2,-0.2 0.931 111.7 47.9 -67.8 -44.9 5.9 43.0 6.5 113 117 A I H X S+ 0 0 98 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.916 110.2 52.9 -59.1 -46.3 5.5 46.5 5.0 114 118 A M H X S+ 0 0 16 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.899 116.8 36.8 -58.0 -45.3 9.3 46.6 4.3 115 119 A I H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.879 116.0 54.4 -76.1 -38.7 9.3 43.2 2.5 116 120 A G H X S+ 0 0 30 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.888 111.1 44.3 -61.1 -41.0 6.0 43.8 0.8 117 121 A T H X S+ 0 0 18 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.688 109.5 57.3 -78.4 -18.9 7.1 47.1 -0.7 118 122 A G H X S+ 0 0 10 -4,-0.7 4,-2.5 -5,-0.2 -2,-0.2 0.875 107.1 48.2 -76.1 -38.8 10.4 45.6 -1.7 119 123 A L H X S+ 0 0 60 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.867 112.2 48.6 -68.0 -38.1 8.5 42.9 -3.7 120 124 A V H X S+ 0 0 62 -4,-1.5 4,-0.9 2,-0.2 3,-0.3 0.923 114.1 45.8 -68.1 -43.4 6.4 45.6 -5.4 121 125 A G H >< S+ 0 0 0 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.900 112.4 52.4 -63.1 -39.8 9.4 47.6 -6.2 122 126 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.736 117.3 38.3 -66.9 -24.0 11.1 44.4 -7.4 123 127 A L H 3< S+ 0 0 72 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.399 84.3 122.5-110.1 1.2 8.1 43.7 -9.6 124 128 A T << - 0 0 20 -4,-0.9 6,-0.1 -3,-0.6 -59,-0.0 -0.460 48.5-156.0 -68.0 133.3 7.3 47.3 -10.9 125 129 A K S S+ 0 0 148 -2,-0.2 2,-0.6 -58,-0.1 -57,-0.3 0.536 75.2 80.3 -88.7 -8.6 7.3 47.6 -14.6 126 130 A V S > S- 0 0 68 1,-0.1 4,-1.1 -59,-0.1 3,-0.5 -0.904 75.3-145.9-101.6 115.2 8.0 51.3 -14.6 127 131 A Y H >> S+ 0 0 98 -2,-0.6 3,-0.8 1,-0.2 4,-0.6 0.869 91.2 46.2 -44.6 -60.4 11.7 52.0 -13.9 128 132 A S H >> S+ 0 0 68 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.834 106.5 59.7 -57.0 -38.2 11.6 55.2 -11.8 129 133 A Y H >> S+ 0 0 133 -3,-0.5 4,-2.4 1,-0.2 3,-0.9 0.803 89.2 70.9 -63.1 -32.8 8.9 54.0 -9.5 130 134 A R H X S+ 0 0 8 -4,-2.2 4,-2.8 -5,-0.2 3,-2.0 0.912 103.1 57.1 -72.8 -46.9 15.9 47.6 17.7 149 153 A F H 3X S+ 0 0 73 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.856 114.1 41.0 -54.3 -36.1 18.9 49.9 18.5 150 154 A F H 3< S+ 0 0 100 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.357 110.4 58.5 -94.2 4.3 16.9 51.1 21.5 151 155 A G H <> S+ 0 0 16 -3,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.769 116.2 33.9 -95.0 -39.1 15.7 47.6 22.3 152 156 A F H X S+ 0 0 5 -4,-2.8 4,-4.9 2,-0.2 3,-0.4 0.901 118.8 50.4 -80.2 -47.1 19.3 46.4 22.6 153 157 A T H X S+ 0 0 48 -4,-2.1 4,-0.6 -5,-0.3 -3,-0.2 0.790 109.7 52.9 -63.0 -29.0 20.8 49.6 24.1 154 158 A S H 4 S+ 0 0 78 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.765 120.3 33.5 -76.3 -27.6 18.0 49.7 26.7 155 159 A K H < S+ 0 0 46 -4,-0.5 -2,-0.2 -3,-0.4 -3,-0.2 0.802 102.2 72.3 -94.2 -38.2 18.9 46.1 27.7 156 160 A A H >< S+ 0 0 6 -4,-4.9 2,-0.8 1,-0.2 3,-0.6 0.814 97.5 64.2 -43.9 -30.5 22.6 46.4 27.0 157 161 A E T 3< S+ 0 0 142 -4,-0.6 -1,-0.2 -5,-0.2 3,-0.1 -0.883 84.9 59.0-104.0 106.1 22.2 48.5 30.2 158 162 A S T 3 S+ 0 0 104 -2,-0.8 2,-0.3 1,-0.6 -1,-0.2 0.093 97.4 78.7 154.5 3.7 21.1 46.3 33.0 159 163 A M S < S- 0 0 31 -3,-0.6 -1,-0.6 1,-0.2 5,-0.0 -0.800 90.9 -81.5-127.7 166.5 24.1 44.2 32.7 160 164 A R > - 0 0 169 -2,-0.3 4,-3.2 1,-0.1 5,-0.5 -0.038 45.1-102.9 -64.0 170.6 27.7 44.4 33.7 161 165 A P T 4 S+ 0 0 113 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.696 123.0 48.4 -69.9 -15.2 30.2 46.4 31.7 162 166 A E T 4 S+ 0 0 153 2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.764 125.0 28.6 -91.4 -30.6 31.7 43.1 30.3 163 167 A V T > S+ 0 0 32 3,-0.1 4,-1.6 4,-0.1 3,-0.4 0.668 121.5 52.6-102.5 -20.4 28.3 41.7 29.3 164 168 A A T < S+ 0 0 8 -4,-3.2 2,-2.6 1,-0.3 4,-0.2 0.932 105.6 55.5 -74.7 -50.0 26.5 45.0 28.7 165 169 A S T 4 S+ 0 0 85 -5,-0.5 -1,-0.3 -4,-0.4 -8,-0.0 -0.376 111.7 46.3 -79.8 61.8 29.3 46.1 26.4 166 170 A T T >> S+ 0 0 54 -2,-2.6 3,-4.1 -3,-0.4 4,-0.6 0.150 90.1 67.8-163.7 -54.4 28.6 42.9 24.4 167 171 A C H 3X S+ 0 0 11 -4,-1.6 4,-1.3 1,-0.3 -11,-0.2 0.539 101.2 68.1 -57.0 3.9 24.9 42.6 23.9 168 172 A K H 3> S+ 0 0 43 -4,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.701 86.5 56.8 -92.8 -29.5 26.3 45.6 22.0 169 173 A V H <4 S+ 0 0 96 -3,-4.1 4,-0.2 2,-0.2 -2,-0.2 0.425 112.4 45.6 -84.1 8.1 28.3 43.5 19.5 170 174 A L H X S+ 0 0 14 -4,-0.6 4,-2.3 2,-0.1 5,-0.2 0.723 111.5 47.6-106.1 -52.7 24.9 41.8 18.7 171 175 A R H X S+ 0 0 23 -4,-1.3 4,-0.9 1,-0.2 -2,-0.2 0.956 117.5 47.5 -49.5 -49.5 22.9 45.0 18.4 172 176 A N H X S+ 0 0 71 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.825 110.6 47.2 -63.1 -41.1 25.7 46.3 16.3 173 177 A V H > S+ 0 0 58 -4,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.831 110.3 55.7 -72.0 -31.3 26.1 43.2 13.9 174 178 A T H X S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.734 108.6 45.0 -74.2 -23.4 22.5 43.1 13.4 175 179 A V H X S+ 0 0 33 -4,-0.9 4,-1.4 -3,-0.3 -1,-0.2 0.817 112.0 47.6 -92.8 -29.1 22.2 46.7 12.2 176 180 A V H X S+ 0 0 108 -4,-1.4 4,-0.5 2,-0.2 -2,-0.2 0.850 112.3 54.6 -73.6 -35.3 25.1 46.9 9.8 177 181 A L H >X S+ 0 0 18 -4,-1.3 3,-1.8 -5,-0.2 4,-0.7 0.966 107.5 44.1 -60.7 -60.3 24.0 43.7 8.4 178 182 A W H >< S+ 0 0 19 -4,-1.2 3,-0.8 1,-0.3 -1,-0.2 0.869 105.8 63.8 -55.5 -40.2 20.4 44.6 7.5 179 183 A S H 3X S+ 0 0 47 -4,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.659 92.7 66.5 -59.7 -18.2 21.6 47.9 6.1 180 184 A A H S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.919 113.7 47.2 -61.7 -41.0 19.1 48.0 0.6 183 187 A V H X S+ 0 0 72 -4,-0.9 4,-1.7 -3,-0.3 -2,-0.2 0.806 112.0 50.7 -69.6 -27.5 22.4 48.9 -0.9 184 188 A V H X S+ 0 0 11 -4,-2.2 4,-0.9 2,-0.2 7,-0.2 0.867 113.3 45.8 -75.9 -35.1 22.7 45.5 -2.5 185 189 A W H < S+ 0 0 15 -4,-2.2 6,-1.4 -5,-0.3 7,-0.3 0.879 113.7 49.9 -71.4 -38.7 19.2 45.9 -4.0 186 190 A L H < S+ 0 0 52 -4,-2.5 6,-0.5 5,-0.2 8,-0.2 0.873 119.8 33.1 -70.9 -41.1 20.0 49.5 -5.2 187 191 A I H < S+ 0 0 57 -4,-1.7 8,-2.7 4,-0.2 7,-1.1 0.616 111.0 86.2 -89.9 -12.0 23.3 48.8 -6.9 188 192 A G S X>S- 0 0 0 -4,-0.9 5,-2.6 6,-0.2 4,-1.0 0.210 101.2 -85.6 -72.4-165.0 22.1 45.3 -8.0 189 193 A S T 45S+ 0 0 26 3,-0.2 -4,-0.1 1,-0.2 8,-0.1 0.662 125.4 53.0 -81.8 -18.8 20.1 44.2 -11.0 190 194 A E T 45S+ 0 0 2 -5,-0.2 -1,-0.2 7,-0.0 -4,-0.1 0.859 122.6 28.3 -80.7 -37.5 16.7 44.9 -9.4 191 195 A G T 45S- 0 0 1 -6,-1.4 -5,-0.2 -7,-0.2 -4,-0.2 0.962 135.8 -21.9 -88.9 -71.6 17.7 48.5 -8.5 192 196 A A T <5 - 0 0 36 -4,-1.0 -3,-0.2 -6,-0.5 -5,-0.2 0.783 66.1-124.1-117.5 -40.7 20.3 50.1 -10.8 193 197 A G S > - 0 0 73 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.233 28.0-106.7 -69.8 162.3 26.0 42.4 -12.5 197 201 A L H 3> S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.829 116.4 52.5 -60.8 -39.0 23.3 39.7 -11.5 198 202 A N H 3> S+ 0 0 55 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.779 112.3 45.6 -71.3 -26.0 25.8 37.0 -10.6 199 203 A I H <> S+ 0 0 64 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.846 111.6 52.2 -82.0 -36.0 27.7 39.3 -8.2 200 204 A E H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.892 109.1 50.2 -63.9 -39.4 24.4 40.5 -6.7 201 205 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.875 111.0 49.7 -65.0 -38.7 23.4 36.9 -6.2 202 206 A L H X S+ 0 0 44 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.933 109.7 51.0 -65.2 -46.5 26.8 36.4 -4.5 203 207 A L H X S+ 0 0 60 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.881 113.1 44.6 -57.8 -44.7 26.3 39.5 -2.3 204 208 A F H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.845 111.7 53.2 -70.2 -35.6 22.8 38.4 -1.1 205 209 A M H X S+ 0 0 7 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.817 109.2 48.3 -70.1 -31.4 24.1 34.8 -0.5 206 210 A V H X S+ 0 0 74 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.804 116.3 45.4 -76.0 -30.5 26.9 36.0 1.7 207 211 A L H X S+ 0 0 27 -4,-1.3 4,-1.9 -5,-0.2 -2,-0.2 0.900 111.6 50.3 -77.4 -43.0 24.4 38.2 3.6 208 212 A D H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 5,-0.4 0.891 111.3 46.8 -65.3 -41.6 21.7 35.5 3.9 209 213 A V H X>S+ 0 0 28 -4,-1.6 5,-2.8 1,-0.2 4,-1.3 0.827 111.8 53.9 -70.3 -28.7 24.0 32.8 5.3 210 214 A S H <>S+ 0 0 49 -4,-0.8 5,-2.7 3,-0.2 -2,-0.2 0.859 113.5 40.5 -71.0 -37.6 25.5 35.4 7.7 211 215 A A H <5S+ 0 0 3 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.611 125.6 31.6 -90.9 -12.0 22.1 36.4 9.1 212 216 A K H <5S+ 0 0 4 -4,-1.2 -3,-0.2 -5,-0.2 -2,-0.2 0.792 135.4 15.8-112.1 -41.6 20.5 33.0 9.4 213 217 A V T X5S+ 0 0 23 -4,-1.3 4,-2.2 -5,-0.4 5,-0.2 0.906 129.9 42.0 -93.7 -63.7 23.1 30.6 10.0 214 218 A G H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.888 105.4 46.5 -52.4 -41.6 21.8 32.2 14.5 217 221 A L H X S+ 0 0 68 -4,-2.2 4,-2.5 -3,-0.2 -1,-0.2 0.938 116.1 45.3 -63.7 -48.1 24.8 30.5 16.0 218 222 A I H X S+ 0 0 93 -4,-1.7 4,-1.0 -5,-0.2 -2,-0.2 0.852 117.2 45.7 -63.0 -38.4 25.9 33.8 17.6 219 223 A L H < S+ 0 0 7 -4,-4.0 -2,-0.2 2,-0.2 -3,-0.2 0.983 112.3 47.0 -70.5 -60.5 22.4 34.5 18.7 220 224 A L H < S+ 0 0 7 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.935 115.2 51.8 -42.7 -58.1 21.6 31.1 20.1 221 225 A R H < S+ 0 0 174 -4,-2.5 2,-5.1 -5,-0.3 3,-0.4 0.926 93.5 62.0 -39.8 -97.6 24.9 31.2 22.0 222 226 A S < + 0 0 39 -4,-1.0 -1,-0.2 1,-0.2 -4,-0.1 0.097 67.4 127.9 -38.1 56.6 25.1 34.4 23.9 223 227 A R + 0 0 90 -2,-5.1 -1,-0.2 1,-0.2 2,-0.2 0.915 54.5 69.8 -77.2 -75.6 22.1 33.4 25.9 224 228 A A 0 0 85 -3,-0.4 -1,-0.2 1,-0.1 -3,-0.0 -0.127 360.0 360.0 -38.3 95.1 23.6 33.9 29.2 225 229 A I 0 0 95 -2,-0.2 -2,-0.1 -58,-0.0 -61,-0.1 -0.980 360.0 360.0 152.8 360.0 23.6 37.6 28.5