==== 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 PROTON TRANSPORT 28-MAR-05 1X0S . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR T.NISHIKAWA,M.MURAKAMI,T.KOUYAMA . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 89.0 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 . 6 2.6 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 . 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 . 11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.1 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 0 0 1 1 0 1 0 1 1 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 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 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 99 0, 0.0 2,-0.8 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-165.8 32.3 24.4 5.2 2 6 A G + 0 0 27 1,-0.1 60,-0.0 2,-0.1 196,-0.0 -0.789 360.0 65.5 -94.8 105.7 31.1 27.4 7.2 3 7 A R S > S+ 0 0 159 -2,-0.8 3,-1.9 0, 0.0 4,-0.4 -0.119 90.1 52.2-176.0 -65.4 27.6 28.4 6.2 4 8 A P T 3 S+ 0 0 77 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.841 118.0 42.8 -60.2 -29.6 24.9 25.8 7.0 5 9 A E T 3> S+ 0 0 0 -4,-0.4 4,-1.7 1,-0.2 5,-0.2 0.275 82.2 106.0 -97.1 10.9 26.2 25.6 10.6 6 10 A W H <> S+ 0 0 124 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.847 77.1 56.2 -56.6 -35.4 26.5 29.4 10.8 7 11 A I H > S+ 0 0 75 -3,-0.4 4,-2.7 -4,-0.4 5,-0.3 0.928 102.7 50.1 -66.2 -48.1 23.5 29.4 13.0 8 12 A W H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 112.7 49.8 -59.8 -36.6 24.7 27.0 15.7 9 13 A L H X S+ 0 0 2 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.944 109.9 51.1 -65.5 -45.8 27.9 29.1 15.9 10 14 A A H X S+ 0 0 25 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.907 112.0 45.2 -56.5 -46.8 25.7 32.3 16.2 11 15 A L H X S+ 0 0 80 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.849 112.9 52.3 -67.3 -35.7 23.6 30.8 19.1 12 16 A G H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.970 108.2 49.4 -64.5 -53.1 26.8 29.5 20.8 13 17 A T H X S+ 0 0 13 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.931 115.0 46.2 -49.8 -48.6 28.4 32.9 20.7 14 18 A A H X S+ 0 0 51 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.906 112.1 48.6 -63.7 -44.6 25.3 34.4 22.1 15 19 A L H X S+ 0 0 64 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.891 114.1 45.9 -64.9 -41.3 24.8 31.9 24.9 16 20 A M H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.971 112.6 52.9 -64.0 -51.1 28.4 32.1 26.0 17 21 A G H X S+ 0 0 15 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.913 113.4 40.6 -49.7 -52.6 28.2 35.9 25.9 18 22 A L H X S+ 0 0 111 -4,-2.8 4,-3.7 1,-0.2 -1,-0.2 0.906 111.3 59.5 -65.3 -37.4 25.1 36.1 28.0 19 23 A G H X S+ 0 0 6 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.884 107.1 46.3 -55.7 -41.8 26.6 33.4 30.2 20 24 A T H X S+ 0 0 21 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.980 112.9 49.9 -64.6 -54.7 29.6 35.7 30.9 21 25 A L H X S+ 0 0 97 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.912 111.3 48.2 -48.9 -51.3 27.2 38.6 31.6 22 26 A Y H < S+ 0 0 95 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.928 115.2 43.7 -59.5 -45.9 25.1 36.6 34.0 23 27 A F H X S+ 0 0 1 -4,-2.2 4,-0.8 -5,-0.2 3,-0.4 0.840 115.3 50.2 -68.1 -33.8 28.2 35.3 35.9 24 28 A L H >< S+ 0 0 98 -4,-3.2 2,-2.1 1,-0.3 3,-0.9 0.956 106.5 56.0 -65.9 -50.1 29.8 38.7 35.9 25 29 A V T 3< S+ 0 0 90 -4,-3.3 -1,-0.3 -5,-0.3 -4,-0.0 -0.453 110.4 44.2 -81.1 65.9 26.6 40.4 37.1 26 30 A K T 34 S+ 0 0 73 -2,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.252 105.4 52.8-175.5 -28.3 26.4 38.2 40.2 27 31 A G S X< S+ 0 0 21 -3,-0.9 3,-0.8 -4,-0.8 -2,-0.1 0.218 79.5 104.1-106.5 11.6 29.8 38.0 41.7 28 32 A M T 3 S+ 0 0 147 -4,-0.3 2,-0.9 1,-0.3 -1,-0.1 0.955 85.7 33.6 -56.7 -59.2 30.2 41.8 41.8 29 33 A G T 3 S+ 0 0 82 -3,-0.1 2,-0.6 2,-0.0 -1,-0.3 -0.497 84.1 136.6-100.1 64.6 29.7 42.3 45.5 30 34 A V < + 0 0 27 -2,-0.9 -3,-0.1 -3,-0.8 6,-0.0 -0.922 25.3 176.1-116.9 109.6 31.2 39.1 46.8 31 35 A S + 0 0 115 -2,-0.6 -1,-0.2 4,-0.0 5,-0.1 0.897 50.1 103.9 -74.9 -44.8 33.5 39.6 49.8 32 36 A D > - 0 0 34 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.167 63.5-150.6 -44.8 107.8 34.3 35.9 50.4 33 37 A P H > S+ 0 0 80 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.817 95.5 47.6 -53.9 -34.8 37.9 35.5 49.1 34 38 A D H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.920 111.4 48.4 -73.6 -45.2 37.2 31.8 48.1 35 39 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 106.8 59.9 -60.6 -37.3 33.9 32.5 46.4 36 40 A K H X S+ 0 0 117 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.906 104.0 49.4 -56.1 -44.6 35.8 35.3 44.6 37 41 A K H X S+ 0 0 101 -4,-1.3 4,-3.1 1,-0.2 5,-0.3 0.938 109.7 51.6 -61.0 -47.9 38.2 32.7 43.2 38 42 A F H X S+ 0 0 11 -4,-1.9 4,-2.7 187,-0.2 5,-0.3 0.887 110.8 47.1 -58.4 -42.6 35.4 30.5 42.0 39 43 A Y H X S+ 0 0 18 -4,-2.5 4,-3.7 2,-0.2 5,-0.3 0.941 113.1 49.7 -66.1 -45.5 33.6 33.4 40.2 40 44 A A H X S+ 0 0 55 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.977 116.1 40.6 -56.0 -58.9 36.9 34.4 38.6 41 45 A I H X S+ 0 0 17 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.967 121.2 43.3 -53.9 -57.1 37.7 30.9 37.3 42 46 A T H >< S+ 0 0 2 -4,-2.7 3,-0.7 -5,-0.3 -1,-0.2 0.895 112.6 50.9 -58.8 -44.7 34.2 30.1 36.3 43 47 A T H 3X S+ 0 0 21 -4,-3.7 4,-1.8 -5,-0.3 -1,-0.2 0.890 105.0 57.7 -61.9 -40.1 33.5 33.5 34.7 44 48 A L H 3X S+ 0 0 94 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.770 97.0 65.3 -63.0 -24.2 36.6 33.3 32.5 45 49 A V H S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -26,-0.2 0.877 113.5 60.0 -64.4 -34.0 32.4 31.4 29.2 47 51 A A H X S+ 0 0 27 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.913 109.0 42.3 -58.6 -44.7 34.2 34.6 28.3 48 52 A I H X S+ 0 0 38 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.950 111.1 56.2 -66.9 -46.9 36.9 32.7 26.4 49 53 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.872 105.1 55.0 -49.9 -40.0 34.2 30.5 24.9 50 54 A F H X S+ 0 0 78 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.912 107.3 46.9 -61.8 -47.5 32.6 33.7 23.6 51 55 A T H X S+ 0 0 72 -4,-1.5 4,-1.3 -3,-0.3 -1,-0.2 0.898 115.8 45.2 -65.2 -40.1 35.7 35.0 21.8 52 56 A M H X S+ 0 0 36 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.886 111.2 51.7 -73.5 -34.3 36.4 31.6 20.2 53 57 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -40,-0.2 0.895 108.5 53.3 -66.7 -33.5 32.8 31.1 19.2 54 58 A L H X S+ 0 0 59 -4,-2.0 4,-2.7 1,-0.2 6,-0.2 0.825 104.3 55.2 -68.0 -32.0 32.8 34.6 17.6 55 59 A S H <>S+ 0 0 13 -4,-1.3 6,-1.7 2,-0.2 5,-1.0 0.817 109.0 47.4 -71.6 -29.9 35.9 33.6 15.6 56 60 A M H ><5S+ 0 0 5 -4,-1.4 3,-1.2 4,-0.2 -2,-0.2 0.936 113.1 48.2 -75.1 -44.9 34.1 30.6 14.1 57 61 A L H 3<5S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.920 113.5 46.7 -59.5 -46.2 31.0 32.7 13.3 58 62 A L T 3<5S- 0 0 130 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.456 118.4-113.0 -76.9 -0.5 33.1 35.4 11.6 59 63 A G T X 5S+ 0 0 43 -3,-1.2 3,-0.6 -4,-0.2 -3,-0.2 0.302 89.3 106.5 90.3 -9.7 35.1 32.8 9.7 60 64 A Y T 3 +A 62 0A 5 -2,-0.6 3,-0.7 -13,-0.2 -13,-0.3 -0.655 22.4 174.4 -78.0 95.2 37.3 24.7 13.0 76 80 A W T >> + 0 0 77 -15,-1.5 3,-1.9 -2,-1.4 4,-1.1 0.777 62.7 81.7 -74.0 -27.4 40.7 25.0 14.8 77 81 A A H 3> S+ 0 0 0 -16,-1.5 4,-2.5 1,-0.3 -1,-0.2 0.755 77.1 72.7 -50.8 -26.3 39.5 27.7 17.2 78 82 A R H <> S+ 0 0 2 -3,-0.7 4,-3.0 -17,-0.2 -1,-0.3 0.886 97.9 46.7 -58.9 -37.8 38.0 24.9 19.4 79 83 A Y H <> S+ 0 0 5 -3,-1.9 4,-3.0 -4,-0.2 -1,-0.2 0.917 109.3 53.0 -72.0 -40.0 41.4 23.9 20.5 80 84 A A H < S+ 0 0 34 -4,-1.1 4,-0.5 2,-0.2 -2,-0.2 0.896 115.5 44.0 -58.6 -40.3 42.4 27.5 21.2 81 85 A D H >X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 3,-1.9 0.997 116.8 41.7 -65.2 -69.7 39.3 27.7 23.3 82 86 A W H 3X S+ 0 0 20 -4,-3.0 4,-2.7 1,-0.3 -2,-0.2 0.842 98.3 74.9 -49.4 -43.1 39.5 24.4 25.2 83 87 A L H 3< S+ 0 0 76 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.789 115.9 21.6 -42.6 -33.3 43.3 24.7 25.8 84 88 A F H <> S+ 0 0 126 -3,-1.9 4,-1.9 -4,-0.5 -1,-0.2 0.781 122.5 54.1-104.7 -41.3 42.4 27.3 28.5 85 89 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.870 103.7 55.7 -67.3 -36.1 38.8 26.6 29.4 86 90 A T H X S+ 0 0 14 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.923 109.8 44.5 -66.1 -41.2 39.3 22.9 30.2 87 91 A P H > S+ 0 0 23 0, 0.0 4,-3.9 0, 0.0 5,-0.2 0.960 111.8 54.5 -66.0 -45.3 42.0 23.5 32.8 88 92 A L H X S+ 0 0 31 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.922 109.7 46.7 -51.7 -48.0 40.0 26.3 34.3 89 93 A L H X S+ 0 0 5 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.961 113.5 49.0 -59.1 -47.6 37.1 24.0 34.7 90 94 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.922 107.2 55.1 -56.5 -46.0 39.4 21.4 36.2 91 95 A L H X S+ 0 0 58 -4,-3.9 4,-2.8 1,-0.2 5,-0.3 0.905 103.1 57.2 -54.6 -42.5 40.9 24.0 38.5 92 96 A D H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.938 108.4 45.9 -53.4 -50.9 37.3 24.7 39.8 93 97 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.907 112.0 51.9 -59.3 -42.8 36.9 21.1 40.8 94 98 A A H X>S+ 0 0 2 -4,-2.5 5,-2.0 2,-0.2 4,-0.7 0.920 111.4 45.3 -63.3 -43.2 40.3 21.0 42.5 95 99 A L H ><5S+ 0 0 55 -4,-2.8 3,-1.0 2,-0.2 -2,-0.2 0.950 111.8 52.4 -64.0 -49.1 39.6 24.2 44.6 96 100 A L H 3<5S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.901 120.1 34.0 -51.9 -45.1 36.2 22.9 45.6 97 101 A V H 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.414 107.9-123.0 -95.3 2.2 37.6 19.6 46.7 98 102 A D T <<5 - 0 0 101 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.959 40.7-169.0 53.9 60.0 41.0 21.0 48.0 99 103 A A < - 0 0 17 -5,-2.0 2,-0.1 1,-0.1 -1,-0.1 -0.362 26.0 -94.3 -78.6 158.4 43.2 18.8 45.8 100 104 A D > - 0 0 98 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.427 28.9-122.4 -71.2 144.4 47.0 18.5 46.2 101 105 A Q H > S+ 0 0 169 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.885 111.9 59.2 -54.1 -40.0 49.1 20.7 44.0 102 106 A G H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.963 107.1 43.9 -54.3 -55.1 50.8 17.6 42.6 103 107 A T H > S+ 0 0 36 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.894 112.2 53.2 -60.4 -38.5 47.5 16.3 41.3 104 108 A I H X S+ 0 0 39 -4,-2.3 4,-3.6 2,-0.2 5,-0.3 0.965 111.2 47.0 -59.7 -50.6 46.4 19.7 39.9 105 109 A L H X S+ 0 0 132 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.940 114.8 46.1 -55.0 -48.3 49.7 19.9 38.0 106 110 A A H X S+ 0 0 43 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.896 114.2 48.9 -60.8 -42.5 49.2 16.4 36.7 107 111 A L H X S+ 0 0 2 -4,-3.6 4,-2.2 -5,-0.2 -2,-0.2 0.923 111.8 47.4 -65.3 -44.6 45.6 17.1 35.8 108 112 A V H X S+ 0 0 56 -4,-3.6 4,-2.7 -5,-0.2 5,-0.2 0.931 112.8 50.5 -63.3 -42.9 46.6 20.3 34.0 109 113 A G H X S+ 0 0 37 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.954 109.1 49.8 -57.7 -52.5 49.3 18.5 32.2 110 114 A A H X S+ 0 0 14 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.910 112.1 49.8 -51.2 -46.3 47.0 15.7 31.1 111 115 A D H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.924 107.7 51.3 -60.6 -50.3 44.5 18.3 29.8 112 116 A G H X S+ 0 0 28 -4,-2.7 4,-3.4 1,-0.2 -1,-0.2 0.895 113.8 45.6 -56.7 -40.5 47.0 20.3 27.8 113 117 A I H X S+ 0 0 98 -4,-2.4 4,-4.0 -5,-0.2 5,-0.4 0.957 108.8 56.9 -67.8 -46.6 48.1 17.1 26.1 114 118 A M H X S+ 0 0 15 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.929 117.6 33.2 -49.7 -50.5 44.5 16.1 25.6 115 119 A I H X S+ 0 0 9 -4,-3.0 4,-3.3 2,-0.2 5,-0.3 0.950 117.3 53.9 -74.1 -44.8 43.8 19.3 23.7 116 120 A G H X S+ 0 0 30 -4,-3.4 4,-2.6 -5,-0.3 -2,-0.2 0.933 113.0 45.0 -51.0 -48.4 47.3 19.6 22.2 117 121 A T H X S+ 0 0 13 -4,-4.0 4,-3.0 1,-0.2 -1,-0.2 0.918 112.6 51.0 -61.8 -45.9 46.9 16.0 20.8 118 122 A G H X S+ 0 0 9 -4,-2.1 4,-2.6 -5,-0.4 -2,-0.2 0.892 111.0 48.7 -59.9 -40.8 43.3 16.7 19.6 119 123 A L H X S+ 0 0 58 -4,-3.3 4,-1.0 2,-0.2 -2,-0.2 0.956 111.5 48.3 -64.3 -50.3 44.5 19.8 17.8 120 124 A V H >X S+ 0 0 61 -4,-2.6 4,-1.8 -5,-0.3 3,-1.4 0.948 111.7 51.1 -55.3 -49.1 47.4 18.1 16.1 121 125 A G H >< S+ 0 0 0 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.953 105.4 55.2 -53.1 -51.9 45.0 15.3 15.1 122 126 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.703 116.6 38.8 -55.5 -19.0 42.5 17.7 13.6 123 127 A L H << S+ 0 0 66 -3,-1.4 -1,-0.2 -4,-1.0 -2,-0.2 0.617 83.9 113.3-109.6 -14.8 45.4 19.1 11.5 124 128 A T << - 0 0 26 -4,-1.8 6,-0.1 -3,-0.8 -59,-0.0 -0.353 55.6-148.4 -61.9 136.1 47.4 16.0 10.4 125 129 A K S S+ 0 0 141 1,-0.1 2,-1.2 4,-0.1 -57,-0.4 0.754 76.9 83.8 -79.3 -28.1 47.2 15.3 6.7 126 130 A V S >> S- 0 0 72 1,-0.2 3,-1.5 -59,-0.1 4,-1.3 -0.687 72.6-151.2 -79.8 101.3 47.4 11.5 6.7 127 131 A Y H >> S+ 0 0 91 -2,-1.2 3,-1.2 1,-0.3 4,-0.7 0.872 94.4 56.1 -33.7 -57.0 43.8 10.6 7.4 128 132 A S H >4 S+ 0 0 74 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.837 102.1 54.4 -46.8 -45.3 45.0 7.4 9.1 129 133 A Y H X> S+ 0 0 134 -3,-1.5 4,-1.7 1,-0.3 3,-1.2 0.798 90.9 73.0 -66.0 -29.1 47.2 9.3 11.5 130 134 A R H S+ 0 0 79 -3,-1.2 4,-2.5 -4,-0.5 3,-0.3 0.974 109.5 48.2 -71.0 -54.8 46.3 7.7 16.5 133 137 A W H X S+ 0 0 91 -4,-1.7 4,-3.0 1,-0.3 -2,-0.2 0.840 109.8 54.4 -51.6 -36.9 46.3 11.3 17.9 134 138 A W H X S+ 0 0 68 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.3 0.921 107.1 50.9 -63.7 -43.6 42.6 10.7 18.8 135 139 A A H X S+ 0 0 49 -4,-1.7 4,-2.4 -3,-0.3 -2,-0.2 0.947 113.1 44.0 -58.8 -50.5 43.6 7.6 20.6 136 140 A I H X S+ 0 0 73 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.957 113.2 51.4 -60.2 -51.0 46.3 9.4 22.6 137 141 A S H X S+ 0 0 19 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.883 112.0 46.5 -54.3 -42.9 44.0 12.4 23.3 138 142 A T H X S+ 0 0 20 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.871 108.8 55.0 -69.3 -37.1 41.3 10.1 24.6 139 143 A A H X S+ 0 0 59 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.955 110.2 46.9 -59.3 -48.1 43.7 8.2 26.7 140 144 A A H X S+ 0 0 17 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.943 111.8 51.2 -57.8 -49.5 44.8 11.5 28.3 141 145 A M H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 3,-0.5 0.951 107.2 52.8 -52.1 -54.1 41.1 12.4 28.8 142 146 A L H X S+ 0 0 99 -4,-3.1 4,-1.9 1,-0.3 -1,-0.2 0.847 104.1 56.4 -51.3 -41.2 40.3 9.1 30.5 143 147 A Y H X S+ 0 0 117 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.932 109.0 48.1 -56.7 -46.9 43.1 9.6 33.0 144 148 A I H X S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.5 -2,-0.2 0.941 110.6 48.0 -59.6 -52.9 41.5 12.9 33.9 145 149 A L H X S+ 0 0 13 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.806 110.9 55.0 -60.1 -28.3 38.0 11.6 34.4 146 150 A Y H X>S+ 0 0 146 -4,-1.9 4,-3.2 -5,-0.3 5,-0.8 0.978 110.0 42.9 -66.7 -59.0 39.4 8.7 36.4 147 151 A V H X>S+ 0 0 18 -4,-2.3 5,-2.9 1,-0.2 4,-0.8 0.889 116.0 50.3 -54.8 -43.0 41.2 11.0 38.9 148 152 A L H <>S+ 0 0 1 -4,-2.8 5,-1.0 3,-0.2 -1,-0.2 0.966 116.2 41.2 -61.1 -50.7 38.1 13.2 39.0 149 153 A F H <5S+ 0 0 70 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.908 132.9 16.3 -66.0 -48.5 35.8 10.3 39.7 150 154 A F H X5S+ 0 0 120 -4,-3.2 4,-0.8 -5,-0.2 -3,-0.2 0.805 132.1 41.2 -98.1 -34.7 37.8 8.2 42.2 151 155 A G H X< S+ 0 0 67 -4,-1.5 3,-0.8 1,-0.2 -1,-0.3 0.771 107.0 58.0 -67.7 -25.2 38.7 14.3 48.7 156 160 A A H >< S+ 0 0 0 -4,-1.9 3,-1.9 -3,-0.4 -1,-0.2 0.820 90.6 71.0 -73.1 -31.1 35.1 15.7 48.7 157 161 A E T 3< S+ 0 0 121 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.633 94.9 55.2 -61.1 -14.5 34.0 13.2 51.4 158 162 A S T < S+ 0 0 96 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.543 95.4 81.1 -96.3 -10.9 36.1 15.3 53.9 159 163 A M S < S- 0 0 55 -3,-1.9 -62,-0.0 -4,-0.2 -63,-0.0 -0.315 98.4 -74.9 -86.0 175.5 34.4 18.6 53.1 160 164 A R >> - 0 0 84 1,-0.1 4,-2.0 64,-0.1 3,-1.1 -0.417 50.7-102.4 -70.8 149.3 31.0 19.7 54.5 161 165 A P H 3> S+ 0 0 108 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.756 120.3 61.3 -40.5 -38.4 27.9 18.0 53.0 162 166 A E H 3> S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.955 110.0 39.7 -55.9 -53.1 27.2 21.1 50.8 163 167 A V H <> S+ 0 0 3 -3,-1.1 4,-2.8 2,-0.2 5,-0.3 0.895 112.6 55.3 -64.9 -43.9 30.5 20.7 49.0 164 168 A A H X S+ 0 0 11 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.928 112.9 42.6 -56.5 -45.4 30.4 16.9 48.8 165 169 A S H X S+ 0 0 64 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.918 113.5 48.8 -70.3 -44.4 27.0 17.1 47.1 166 170 A T H X S+ 0 0 16 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.952 112.6 50.0 -60.9 -47.3 27.7 20.0 44.7 167 171 A F H X S+ 0 0 0 -4,-2.8 4,-4.0 1,-0.2 5,-0.2 0.920 106.7 55.8 -55.1 -45.8 30.9 18.3 43.7 168 172 A K H X S+ 0 0 48 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.918 110.3 44.4 -52.6 -47.5 28.9 15.1 43.1 169 173 A V H X S+ 0 0 66 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.979 116.8 45.5 -60.7 -55.9 26.6 16.9 40.7 170 174 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.882 111.9 53.4 -52.4 -46.4 29.6 18.6 38.9 171 175 A R H X S+ 0 0 29 -4,-4.0 4,-2.5 -5,-0.2 5,-0.2 0.941 111.2 44.6 -56.3 -51.1 31.5 15.4 38.8 172 176 A N H X S+ 0 0 76 -4,-2.5 4,-2.1 -5,-0.2 5,-0.3 0.912 113.6 51.1 -62.4 -42.5 28.7 13.5 37.1 173 177 A V H X S+ 0 0 40 -4,-2.8 4,-2.1 -5,-0.2 5,-0.3 0.903 114.3 41.5 -64.7 -41.4 28.1 16.4 34.7 174 178 A T H X S+ 0 0 5 -4,-2.9 4,-2.7 -5,-0.2 5,-0.4 0.922 113.3 52.0 -74.6 -40.3 31.7 16.6 33.6 175 179 A V H X S+ 0 0 34 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.945 116.4 40.2 -58.3 -48.8 32.4 12.9 33.4 176 180 A V H < S+ 0 0 102 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.939 121.1 42.0 -65.9 -49.1 29.3 12.3 31.2 177 181 A L H >X S+ 0 0 29 -4,-2.1 3,-2.1 -5,-0.3 4,-0.8 0.947 110.0 54.2 -65.3 -52.8 29.8 15.4 29.0 178 182 A W H >< S+ 0 0 12 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.869 103.2 58.3 -51.3 -40.5 33.5 15.4 28.5 179 183 A S T 3X S+ 0 0 47 -4,-1.2 4,-0.5 -5,-0.4 -1,-0.3 0.597 95.7 64.5 -70.5 -7.8 33.4 11.8 27.2 180 184 A A H <> S+ 0 0 29 -3,-2.1 4,-2.7 -4,-0.3 3,-0.3 0.814 89.2 68.3 -82.1 -31.1 31.0 12.9 24.4 181 185 A Y H S+ 0 0 21 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.818 113.2 50.7 -59.2 -29.0 35.8 12.3 21.6 183 187 A V H X S+ 0 0 80 -4,-0.5 4,-2.0 -3,-0.3 -2,-0.2 0.894 112.4 45.4 -74.4 -40.5 32.8 10.5 20.2 184 188 A V H X S+ 0 0 11 -4,-2.7 4,-1.8 2,-0.2 7,-0.2 0.976 113.6 49.1 -65.0 -53.5 31.6 13.6 18.3 185 189 A W H >< S+ 0 0 14 -4,-3.4 6,-0.7 1,-0.2 3,-0.6 0.927 110.5 52.9 -49.5 -50.7 35.1 14.2 17.0 186 190 A L H 3< S+ 0 0 54 -4,-2.0 6,-1.7 -5,-0.3 -1,-0.2 0.890 117.9 33.8 -53.9 -47.1 35.4 10.6 15.9 187 191 A I H 3< S+ 0 0 46 -4,-2.0 8,-2.3 -3,-0.2 -1,-0.2 0.513 110.8 77.9 -90.1 -5.1 32.1 10.6 13.9 188 192 A G S X< S- 0 0 0 -4,-1.8 3,-1.0 -3,-0.6 6,-0.3 -0.026 104.6 -73.0 -90.9-162.9 32.4 14.2 12.7 189 193 A S T 3 S+ 0 0 22 1,-0.2 4,-0.2 4,-0.2 -4,-0.1 0.669 125.0 64.2 -67.3 -18.9 34.3 16.0 10.0 190 194 A E T 3 S+ 0 0 3 -5,-0.3 -1,-0.2 -6,-0.2 -4,-0.1 0.768 123.2 5.8 -75.5 -25.5 37.6 15.7 12.0 191 195 A G S < S- 0 0 3 -3,-1.0 2,-0.6 -6,-0.7 -4,-0.2 0.038 131.9 -3.5-122.7-128.7 37.4 11.9 11.7 192 196 A A S > S- 0 0 29 -6,-1.7 2,-3.0 1,-0.1 3,-0.5 -0.625 70.6-131.4 -72.3 115.9 35.1 9.6 9.8 193 197 A G T 3 + 0 0 61 -2,-0.6 -4,-0.2 1,-0.2 -5,-0.2 -0.015 63.5 133.8 -64.2 40.7 32.5 12.0 8.3 194 198 A I T 3 S+ 0 0 124 -2,-3.0 -1,-0.2 -6,-0.3 -6,-0.2 0.800 70.7 43.3 -60.2 -29.9 29.6 9.9 9.5 195 199 A V S < S- 0 0 26 -8,-2.3 2,-0.1 -3,-0.5 -1,-0.0 -0.935 93.3-112.9-119.6 141.2 27.9 13.1 10.7 196 200 A P > - 0 0 75 0, 0.0 4,-3.0 0, 0.0 3,-0.3 -0.405 23.5-117.8 -73.2 149.2 27.7 16.4 8.8 197 201 A L H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.800 115.0 66.7 -51.7 -28.9 29.5 19.5 10.1 198 202 A N H > S+ 0 0 54 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.982 109.5 30.4 -55.9 -63.2 26.0 20.9 10.4 199 203 A I H > S+ 0 0 73 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.858 116.4 61.0 -65.9 -37.3 24.9 18.5 13.1 200 204 A E H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.936 104.5 48.1 -56.0 -48.9 28.4 18.3 14.6 201 205 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.852 110.4 51.8 -61.6 -34.6 28.5 22.0 15.3 202 206 A L H X S+ 0 0 41 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.3 0.821 111.3 50.2 -71.7 -29.0 25.1 21.8 16.9 203 207 A L H X S+ 0 0 55 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.976 110.8 44.2 -73.0 -55.9 26.5 19.0 19.0 204 208 A F H X S+ 0 0 0 -4,-3.0 4,-3.6 1,-0.2 5,-0.2 0.903 111.7 58.4 -55.9 -37.3 29.6 20.8 20.2 205 209 A M H X S+ 0 0 6 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.944 109.3 41.0 -55.7 -52.8 27.4 23.8 20.8 206 210 A V H X S+ 0 0 71 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.903 117.6 48.6 -63.5 -43.4 25.1 21.9 23.2 207 211 A L H X S+ 0 0 24 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.935 113.6 46.8 -62.4 -50.1 28.1 20.2 24.9 208 212 A D H X S+ 0 0 2 -4,-3.6 4,-1.9 -5,-0.3 5,-0.4 0.988 113.4 45.6 -58.3 -62.5 30.0 23.4 25.3 209 213 A V H X>S+ 0 0 26 -4,-2.4 5,-2.0 -5,-0.2 4,-0.8 0.850 118.9 44.2 -51.1 -38.4 27.2 25.5 26.7 210 214 A S H <>S+ 0 0 47 -4,-1.9 5,-1.7 -5,-0.3 -1,-0.2 0.971 113.7 48.6 -68.5 -55.1 26.2 22.7 29.1 211 215 A A H <5S+ 0 0 5 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.619 129.8 21.6 -60.9 -18.3 29.8 21.9 30.1 212 216 A K H X5S+ 0 0 6 -4,-1.9 4,-3.8 -5,-0.2 5,-0.2 0.705 131.4 32.2-113.9 -68.1 30.5 25.6 30.8 213 217 A V H X5S+ 0 0 19 -4,-0.8 4,-3.4 -5,-0.4 -3,-0.2 0.957 125.9 44.5 -59.4 -47.7 27.4 27.6 31.4 214 218 A G H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 6,-0.4 0.964 115.6 48.9 -64.5 -56.7 28.5 25.7 40.9 220 224 A L H 3< S+ 0 0 2 -4,-3.8 -1,-0.2 -5,-0.3 -2,-0.2 0.547 108.4 55.0 -66.7 -5.2 27.9 29.4 41.2 221 225 A R T 3< S+ 0 0 177 -4,-1.2 -1,-0.3 -3,-0.5 2,-0.3 0.179 94.2 82.1-113.0 18.7 24.5 29.0 42.6 222 226 A S S X S- 0 0 26 -3,-1.7 3,-0.6 1,-0.0 -59,-0.0 -0.750 80.9-125.3-115.4 164.6 25.4 26.8 45.5 223 227 A R G > S+ 0 0 142 -2,-0.3 3,-1.3 1,-0.2 -60,-0.1 0.358 92.3 95.3 -88.6 5.4 26.8 27.7 48.9 224 228 A A G 3 S+ 0 0 5 1,-0.3 -1,-0.2 -5,-0.2 -61,-0.1 0.820 72.3 63.7 -64.3 -32.2 29.6 25.3 48.2 225 229 A I G < S+ 0 0 2 -3,-0.6 -1,-0.3 -6,-0.4 2,-0.2 0.470 89.7 89.4 -72.4 -3.3 31.9 28.1 46.9 226 230 A F < 0 0 59 -3,-1.3 -3,-0.0 -192,-0.1 0, 0.0 -0.646 360.0 360.0 -98.0 155.7 31.9 29.8 50.3 227 231 A G 0 0 81 -2,-0.2 -1,-0.1 0, 0.0 -4,-0.0 0.932 360.0 360.0 -75.5 360.0 34.3 29.3 53.1