==== 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, MEMBRANE PROTEIN 10-JUN-00 1F4Z . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR H.LUECKE,B.SCHOBERT,J.P.CARTAILLER,H.T.RICHTER,A.ROSENGARTH, . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 85.6 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 . 6 2.7 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 0.5 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 0 1 1 0 1 1 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 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 0 119 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0-165.0 23.4 25.4 -15.6 2 6 A G + 0 0 77 4,-0.1 3,-0.1 3,-0.1 0, 0.0 0.581 360.0 87.9 -73.4 -17.4 23.1 28.4 -17.9 3 7 A R > - 0 0 50 1,-0.2 3,-2.4 2,-0.0 4,-0.3 -0.825 67.5-155.7 -89.3 114.1 22.4 30.8 -15.1 4 8 A P T > S+ 0 0 84 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.778 92.3 62.4 -62.9 -27.7 25.9 32.0 -13.9 5 9 A E T >> S+ 0 0 8 1,-0.2 4,-1.7 2,-0.1 3,-0.9 0.565 77.0 96.1 -72.8 -2.4 24.4 32.8 -10.5 6 10 A W H <> S+ 0 0 100 -3,-2.4 4,-3.4 1,-0.3 5,-0.3 0.894 75.6 57.9 -59.5 -39.2 23.5 29.1 -10.0 7 11 A I H <> S+ 0 0 68 -3,-0.7 4,-3.0 -4,-0.3 -1,-0.3 0.863 106.8 48.6 -61.6 -31.2 26.7 28.3 -8.1 8 12 A W H <> S+ 0 0 70 -3,-0.9 4,-2.5 -4,-0.3 -1,-0.2 0.865 113.3 47.6 -75.1 -34.8 25.7 30.9 -5.5 9 13 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 48,-0.2 0.846 114.2 47.2 -70.3 -35.1 22.2 29.5 -5.3 10 14 A A H X S+ 0 0 25 -4,-3.4 4,-3.0 -5,-0.2 5,-0.3 0.951 115.0 44.9 -72.5 -48.5 23.7 26.0 -5.0 11 15 A L H X S+ 0 0 65 -4,-3.0 4,-2.7 -5,-0.3 5,-0.3 0.920 113.9 50.4 -56.2 -42.1 26.1 27.0 -2.4 12 16 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.930 110.9 49.9 -63.7 -41.2 23.4 29.0 -0.6 13 17 A T H X S+ 0 0 13 -4,-2.1 4,-2.2 40,-0.2 -2,-0.2 0.944 111.7 47.7 -60.4 -47.8 21.1 26.0 -0.8 14 18 A A H X S+ 0 0 42 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.945 113.5 46.6 -61.7 -43.5 23.8 23.7 0.7 15 19 A L H X S+ 0 0 58 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.946 112.8 47.0 -74.6 -36.1 24.7 26.0 3.5 16 20 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 34,-0.2 0.909 114.1 51.4 -64.1 -35.3 21.2 26.8 4.6 17 21 A G H X S+ 0 0 10 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.942 112.3 44.0 -62.8 -43.6 20.6 23.0 4.4 18 22 A L H X S+ 0 0 102 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.918 113.0 52.6 -69.9 -40.8 23.6 22.3 6.5 19 23 A G H X S+ 0 0 5 -4,-2.9 4,-2.6 -5,-0.3 5,-0.3 0.916 107.7 51.2 -61.1 -42.2 22.7 25.0 8.9 20 24 A T H X S+ 0 0 18 -4,-2.5 4,-2.6 26,-0.2 -2,-0.2 0.963 111.8 46.5 -60.0 -49.0 19.2 23.6 9.3 21 25 A L H X S+ 0 0 111 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.859 111.5 52.8 -61.9 -37.9 20.5 20.2 10.1 22 26 A Y H X S+ 0 0 99 -4,-2.6 4,-3.8 2,-0.2 5,-0.3 0.979 113.8 40.7 -58.0 -58.4 23.1 21.6 12.5 23 27 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.869 113.3 56.5 -62.0 -32.3 20.5 23.5 14.5 24 28 A L H < S+ 0 0 97 -4,-2.6 4,-0.3 -5,-0.3 -1,-0.2 0.936 114.9 36.8 -64.4 -46.8 18.1 20.6 14.2 25 29 A V H >< S+ 0 0 96 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.958 116.5 53.9 -69.2 -45.3 20.6 18.3 15.8 26 30 A K H 3< S+ 0 0 53 -4,-3.8 -2,-0.2 1,-0.3 -1,-0.2 0.849 104.5 56.6 -54.7 -36.6 21.8 21.0 18.2 27 31 A G T >< S+ 0 0 22 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.3 0.592 80.6 112.5 -77.0 -6.5 18.2 21.6 19.3 28 32 A M T < S+ 0 0 144 -3,-2.1 3,-0.1 -4,-0.3 -3,-0.0 -0.473 81.0 18.3 -70.3 137.7 17.8 18.0 20.4 29 33 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -2,-0.2 2,-0.2 -0.072 84.5 137.1 97.3 -30.9 17.4 17.6 24.1 30 34 A V < + 0 0 32 -3,-1.0 -1,-0.3 -4,-0.2 -3,-0.0 -0.294 16.1 162.4 -56.7 115.8 16.6 21.2 24.8 31 35 A S + 0 0 95 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.615 34.1 112.5-109.5 -18.2 13.7 21.2 27.3 32 36 A D > - 0 0 42 1,-0.1 4,-2.8 2,-0.1 5,-0.2 -0.423 65.0-140.6 -56.9 120.6 13.9 24.8 28.6 33 37 A P H > S+ 0 0 86 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.912 102.0 44.5 -49.4 -52.8 10.6 26.4 27.3 34 38 A D H >> S+ 0 0 63 1,-0.2 4,-1.6 2,-0.2 3,-1.1 0.937 112.1 50.5 -57.6 -52.5 12.4 29.7 26.6 35 39 A A H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.896 105.8 59.5 -55.3 -37.4 15.5 28.0 24.9 36 40 A K H 3X S+ 0 0 108 -4,-2.8 4,-2.6 1,-0.2 -1,-0.3 0.812 100.7 53.4 -61.5 -33.2 13.0 26.0 22.8 37 41 A K H S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.792 113.3 62.6 -70.2 -17.3 17.4 28.5 7.5 47 51 A A H X S+ 0 0 27 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.963 109.0 41.0 -67.0 -47.0 14.9 25.6 6.9 48 52 A I H X S+ 0 0 33 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.961 115.1 50.4 -60.7 -50.9 12.7 28.1 5.0 49 53 A A H X S+ 0 0 0 -4,-2.6 4,-3.8 -5,-0.3 5,-0.3 0.880 106.1 57.4 -57.6 -38.4 15.7 29.7 3.3 50 54 A F H X S+ 0 0 75 -4,-2.8 4,-2.7 -34,-0.2 5,-0.3 0.962 110.3 42.9 -53.6 -52.4 16.9 26.2 2.3 51 55 A T H X S+ 0 0 69 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.913 116.8 47.6 -66.3 -34.0 13.6 25.7 0.5 52 56 A M H X S+ 0 0 34 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.896 112.1 48.7 -72.5 -39.7 13.6 29.1 -0.9 53 57 A Y H X S+ 0 0 1 -4,-3.8 4,-3.2 -5,-0.2 5,-0.2 0.923 111.6 51.0 -64.9 -39.8 17.3 28.8 -2.1 54 58 A L H X S+ 0 0 60 -4,-2.7 4,-2.6 -5,-0.3 6,-0.3 0.932 107.0 53.1 -65.7 -37.2 16.5 25.5 -3.6 55 59 A S H X>S+ 0 0 14 -4,-1.9 6,-2.2 -5,-0.3 5,-1.3 0.896 112.1 45.6 -64.0 -33.0 13.5 27.0 -5.5 56 60 A M H ><5S+ 0 0 0 -4,-1.8 3,-0.6 4,-0.2 -2,-0.2 0.945 112.1 51.5 -73.4 -41.7 15.8 29.7 -6.9 57 61 A L H 3<5S+ 0 0 36 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.902 112.5 45.3 -56.0 -45.0 18.4 27.1 -7.8 58 62 A L H 3<5S- 0 0 125 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.574 118.4-112.0 -78.3 -10.3 15.8 24.9 -9.6 59 63 A G T X<5S+ 0 0 31 -3,-0.6 3,-0.6 -4,-0.6 -3,-0.2 0.452 90.4 107.9 98.0 -4.5 14.4 28.0 -11.4 60 64 A Y T 3 +A 70 0A 15 3,-2.2 3,-2.1 -2,-0.5 59,-0.1 -0.906 63.1 30.6-170.2 156.4 11.7 47.4 -17.4 68 72 A G T 3 S- 0 0 58 1,-0.3 3,-0.1 57,-0.3 58,-0.1 0.731 128.7 -73.3 60.1 23.9 14.4 49.5 -19.1 69 73 A G T 3 S+ 0 0 89 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.678 114.5 112.6 63.1 16.4 13.0 47.7 -22.2 70 74 A E E < S-A 67 0A 130 -3,-2.1 -3,-2.2 -5,-0.1 2,-0.8 -0.827 76.0-117.4-119.7 154.7 14.8 44.7 -20.8 71 75 A Q E -A 66 0A 133 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.843 36.1-163.4 -92.3 104.8 13.8 41.3 -19.4 72 76 A N E -A 65 0A 20 -7,-2.8 -7,-2.4 -2,-0.8 2,-0.5 -0.817 16.3-133.0-100.0 115.5 15.1 41.3 -15.8 73 77 A P E -A 64 0A 35 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.527 26.1-169.2 -67.2 113.0 15.3 38.1 -14.0 74 78 A I E -A 63 0A 0 -11,-3.2 -11,-3.0 -2,-0.5 2,-1.9 -0.929 18.3-148.0-113.2 111.8 13.8 38.7 -10.5 75 79 A Y > + 0 0 0 -2,-0.6 3,-1.7 -13,-0.3 4,-0.5 -0.586 22.8 176.0 -74.3 82.2 14.2 36.0 -7.9 76 80 A W T >> + 0 0 78 -2,-1.9 4,-1.9 1,-0.3 3,-1.0 0.766 69.1 73.6 -61.4 -24.1 10.9 36.6 -6.2 77 81 A A H 3> S+ 0 0 0 -16,-2.2 4,-2.0 1,-0.3 -1,-0.3 0.749 83.9 65.7 -68.9 -16.6 11.6 33.8 -3.9 78 82 A R H <> S+ 0 0 2 -3,-1.7 4,-2.8 -17,-0.4 -1,-0.3 0.905 103.9 46.1 -67.2 -34.0 14.2 35.8 -2.0 79 83 A Y H <> S+ 0 0 4 -3,-1.0 4,-2.4 -4,-0.5 -2,-0.2 0.887 110.0 52.2 -72.6 -39.8 11.3 38.1 -0.9 80 84 A A H X S+ 0 0 21 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.894 111.6 49.3 -58.7 -40.2 9.2 35.2 0.0 81 85 A D H >X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.7 0.980 114.5 43.2 -61.0 -54.9 12.1 33.9 2.1 82 86 A W H 3X S+ 0 0 16 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.812 104.1 65.7 -60.5 -29.6 12.6 37.3 3.7 83 87 A L H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.899 115.6 28.4 -68.8 -30.0 8.9 37.7 4.3 84 88 A F H S+ 0 0 25 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.898 112.8 52.6 -67.9 -31.4 9.9 38.6 11.4 88 92 A L H X S+ 0 0 33 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.959 108.5 50.5 -60.9 -44.8 11.2 35.4 12.9 89 93 A L H X S+ 0 0 6 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.897 111.6 46.9 -56.6 -44.2 14.6 37.1 13.3 90 94 A L H X S+ 0 0 2 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.825 106.2 59.7 -68.1 -31.2 12.9 40.1 14.9 91 95 A L H X S+ 0 0 54 -4,-2.2 4,-3.1 -5,-0.2 5,-0.3 0.952 100.8 55.6 -62.6 -43.7 11.1 37.6 17.1 92 96 A D H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.900 111.8 42.3 -51.6 -47.3 14.5 36.4 18.3 93 97 A L H X S+ 0 0 1 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.921 114.1 51.6 -71.1 -39.7 15.4 39.9 19.4 94 98 A A H X>S+ 0 0 1 -4,-3.1 5,-2.7 1,-0.2 4,-0.6 0.901 111.3 45.7 -62.4 -42.5 12.0 40.6 20.9 95 99 A L H ><5S+ 0 0 50 -4,-3.1 3,-0.6 -5,-0.2 -1,-0.2 0.894 108.9 60.1 -67.6 -33.8 11.9 37.5 23.0 96 100 A L H 3<5S+ 0 0 8 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.929 116.8 28.9 -55.6 -52.4 15.5 38.3 24.0 97 101 A V H 3<5S- 0 0 25 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.299 109.2-117.1 -94.9 8.0 14.5 41.7 25.5 98 102 A D T <<5 - 0 0 137 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.943 44.1-157.2 52.8 52.6 11.0 40.6 26.5 99 103 A A < - 0 0 17 -5,-2.7 -1,-0.1 -6,-0.1 2,-0.1 -0.236 20.1-100.6 -57.4 149.6 9.6 43.2 24.2 100 104 A D > - 0 0 121 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.339 30.8-121.1 -63.6 151.4 6.1 44.6 24.7 101 105 A Q H > S+ 0 0 172 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.900 113.3 57.2 -67.3 -38.0 3.6 42.9 22.3 102 106 A G H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.872 107.7 48.6 -58.0 -38.6 2.6 46.3 20.9 103 107 A T H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 111.0 49.7 -69.8 -40.5 6.3 46.8 20.0 104 108 A I H X S+ 0 0 38 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.939 111.0 49.0 -62.4 -42.5 6.5 43.4 18.4 105 109 A L H X S+ 0 0 124 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.956 110.4 51.9 -63.9 -45.0 3.4 44.0 16.4 106 110 A A H X S+ 0 0 31 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.903 114.0 44.4 -49.4 -45.0 4.9 47.3 15.3 107 111 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.933 114.3 45.7 -72.4 -43.8 8.1 45.6 14.3 108 112 A V H X S+ 0 0 51 -4,-3.2 4,-2.4 2,-0.2 5,-0.2 0.903 115.4 48.5 -67.6 -39.7 6.5 42.6 12.5 109 113 A G H X S+ 0 0 32 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.946 112.5 46.8 -61.8 -50.9 4.1 45.0 10.7 110 114 A A H X S+ 0 0 11 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.863 112.6 53.0 -58.4 -36.5 6.8 47.4 9.6 111 115 A D H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.909 107.3 49.1 -64.9 -43.8 8.8 44.3 8.5 112 116 A G H X S+ 0 0 28 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.931 112.5 48.2 -67.9 -35.8 6.0 43.0 6.4 113 117 A I H X S+ 0 0 96 -4,-2.5 4,-3.1 -5,-0.2 5,-0.4 0.956 109.9 54.9 -63.5 -42.1 5.7 46.4 4.8 114 118 A M H X S+ 0 0 14 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.958 117.6 32.2 -53.7 -54.8 9.4 46.4 4.3 115 119 A I H X S+ 0 0 10 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.942 117.9 55.5 -72.8 -41.7 9.5 43.1 2.4 116 120 A G H X S+ 0 0 28 -4,-2.8 4,-2.6 -5,-0.4 -2,-0.2 0.944 112.4 41.4 -55.8 -48.7 6.1 43.6 0.8 117 121 A T H X S+ 0 0 15 -4,-3.1 4,-3.0 -5,-0.3 -1,-0.2 0.856 113.1 54.6 -72.0 -27.9 7.1 47.0 -0.7 118 122 A G H X S+ 0 0 7 -4,-1.6 4,-2.4 -5,-0.4 -1,-0.2 0.914 109.7 47.7 -69.1 -33.2 10.5 45.7 -1.6 119 123 A L H X S+ 0 0 53 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.962 111.6 49.8 -69.1 -43.2 8.8 42.8 -3.5 120 124 A V H X S+ 0 0 58 -4,-2.6 4,-1.1 -5,-0.3 3,-0.3 0.946 111.3 49.4 -58.2 -45.5 6.5 45.3 -5.2 121 125 A G H >< S+ 0 0 0 -4,-3.0 3,-0.7 1,-0.2 -1,-0.3 0.930 109.1 53.0 -56.7 -41.6 9.5 47.4 -6.1 122 126 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.811 116.6 38.2 -66.4 -27.3 11.2 44.2 -7.5 123 127 A L H 3< S+ 0 0 57 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.442 87.4 117.6-102.3 -4.8 8.2 43.4 -9.6 124 128 A T << - 0 0 21 -4,-1.1 6,-0.1 -3,-0.7 -3,-0.0 -0.384 49.7-158.7 -68.3 131.6 7.4 47.0 -10.7 125 129 A K S S+ 0 0 132 -2,-0.2 2,-0.8 1,-0.1 -57,-0.3 0.733 72.4 82.6 -90.7 -15.1 7.7 47.5 -14.4 126 130 A V S >> S- 0 0 76 1,-0.2 4,-1.1 -59,-0.1 3,-0.8 -0.820 75.6-147.7 -91.1 107.9 8.1 51.3 -14.4 127 131 A Y H >> S+ 0 0 93 -2,-0.8 3,-0.9 1,-0.3 4,-0.7 0.831 91.6 50.0 -46.6 -51.8 11.7 51.8 -13.6 128 132 A S H >> S+ 0 0 82 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.858 106.2 56.6 -54.3 -43.3 11.5 55.0 -11.6 129 133 A Y H <> S+ 0 0 141 -3,-0.8 4,-2.1 1,-0.2 3,-0.4 0.769 91.3 73.0 -62.1 -27.9 8.7 53.6 -9.4 130 134 A R H S+ 0 0 15 -4,-2.6 5,-2.3 -5,-0.2 4,-1.2 0.937 116.3 46.1 -62.7 -43.0 13.2 50.6 17.3 148 152 A L H <5S+ 0 0 1 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.925 119.4 40.3 -67.7 -42.2 15.8 47.9 17.7 149 153 A F H <5S+ 0 0 88 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.981 131.4 20.6 -71.3 -58.2 18.6 50.3 18.4 150 154 A F H <5S+ 0 0 139 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.010 131.3 38.2-107.1 22.3 16.9 53.0 20.7 151 155 A G T <5 0 0 63 -4,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.448 360.0 360.0-127.1 -53.3 13.9 51.0 22.0 152 156 A F < 0 0 25 -5,-2.3 -1,-0.2 11,-0.0 -54,-0.1 -0.522 360.0 360.0 -72.3 360.0 15.1 47.5 22.6 153 ! 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 0.0 154 162 A S 0 0 174 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.4 16.8 46.0 33.2 155 163 A M - 0 0 73 1,-0.2 -58,-0.1 2,-0.0 -59,-0.0 -0.545 360.0 -80.0 -90.4 162.0 17.5 42.7 31.5 156 164 A R > - 0 0 94 -2,-0.2 4,-2.8 1,-0.1 3,-0.5 -0.345 44.2-110.5 -62.6 153.5 20.2 40.4 32.9 157 165 A P H > S+ 0 0 109 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.829 120.8 56.7 -50.6 -34.0 23.7 41.5 31.8 158 166 A E H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.902 109.5 43.5 -68.5 -40.3 23.8 38.3 29.6 159 167 A V H > S+ 0 0 4 -3,-0.5 4,-3.1 2,-0.2 5,-0.2 0.969 116.9 45.8 -66.1 -51.0 20.6 39.3 27.8 160 168 A A H X S+ 0 0 26 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.899 114.9 50.3 -57.2 -43.0 21.7 42.9 27.4 161 169 A S H X S+ 0 0 74 -4,-3.1 4,-1.7 -5,-0.3 -1,-0.2 0.912 114.6 40.1 -60.9 -49.8 25.1 41.7 26.3 162 170 A T H X S+ 0 0 21 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.889 113.5 56.6 -72.9 -32.6 23.9 39.3 23.7 163 171 A F H X S+ 0 0 2 -4,-3.1 4,-2.8 -5,-0.3 -2,-0.2 0.942 104.8 51.6 -64.3 -41.3 21.2 41.7 22.6 164 172 A K H X S+ 0 0 116 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.926 111.5 47.6 -61.0 -44.4 23.8 44.4 21.9 165 173 A V H X S+ 0 0 66 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.971 116.6 40.5 -56.4 -57.6 25.9 42.0 19.8 166 174 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.851 113.2 57.4 -69.5 -27.8 23.0 40.7 17.7 167 175 A R H X S+ 0 0 31 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.936 109.8 42.6 -62.4 -50.3 21.6 44.2 17.6 168 176 A N H X S+ 0 0 85 -4,-2.5 4,-1.9 2,-0.2 5,-0.3 0.833 114.6 52.2 -63.7 -36.1 24.8 45.6 16.0 169 177 A V H X S+ 0 0 41 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.948 108.6 51.6 -62.6 -42.0 25.0 42.6 13.7 170 178 A T H X S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.3 5,-0.5 0.957 107.9 50.4 -62.8 -46.1 21.4 43.3 12.7 171 179 A V H X S+ 0 0 35 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.950 115.8 40.1 -57.2 -50.0 22.0 46.9 11.8 172 180 A V H X S+ 0 0 112 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.944 121.3 44.1 -65.5 -46.0 25.1 46.3 9.6 173 181 A L H >X S+ 0 0 13 -4,-2.7 3,-1.2 -5,-0.3 4,-0.9 0.984 116.7 42.1 -61.6 -62.0 23.6 43.2 8.1 174 182 A W H >< S+ 0 0 13 -4,-3.0 3,-1.0 -5,-0.3 -1,-0.2 0.903 111.1 57.8 -55.8 -40.0 20.1 44.4 7.4 175 183 A S H 3X S+ 0 0 37 -4,-2.2 4,-0.8 -5,-0.5 -1,-0.3 0.746 97.4 62.6 -61.6 -26.2 21.3 47.7 6.2 176 184 A A H S+ 0 0 19 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.785 113.7 51.8 -61.4 -24.2 18.9 47.9 0.5 179 187 A V H X S+ 0 0 80 -4,-0.8 4,-2.3 -3,-0.3 5,-0.3 0.928 108.7 47.9 -75.7 -42.8 22.3 48.7 -0.8 180 188 A V H X S+ 0 0 11 -4,-2.7 4,-1.8 2,-0.2 6,-0.2 0.900 113.4 49.3 -62.8 -37.7 22.7 45.4 -2.6 181 189 A W H < S+ 0 0 11 -4,-2.3 6,-0.8 -5,-0.3 8,-0.3 0.966 110.7 50.1 -64.8 -48.8 19.3 45.8 -4.2 182 190 A L H < S+ 0 0 53 -4,-1.7 6,-3.6 -5,-0.2 8,-0.2 0.937 120.2 33.5 -56.9 -45.5 20.0 49.4 -5.3 183 191 A I H < S+ 0 0 47 -4,-2.3 8,-2.8 4,-0.2 7,-2.5 0.773 109.3 84.0 -87.3 -18.7 23.3 48.6 -7.0 184 192 A G S ><>S- 0 0 0 -4,-1.8 5,-2.3 -5,-0.3 3,-1.6 -0.041 102.3 -88.2 -78.6 177.9 22.3 45.2 -8.1 185 193 A S T 3 5S+ 0 0 26 1,-0.3 -1,-0.1 6,-0.2 -4,-0.1 0.664 123.6 66.2 -67.1 -14.0 20.3 44.2 -11.2 186 194 A E T 3 5S+ 0 0 0 -6,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.785 118.7 11.8 -70.2 -32.3 17.1 44.7 -9.2 187 195 A G T < 5S- 0 0 2 -3,-1.6 -5,-0.2 -6,-0.8 -4,-0.2 0.497 136.6 -4.9-115.1-103.2 17.7 48.4 -8.9 188 196 A A T 5S- 0 0 38 -6,-3.6 -3,-0.2 -7,-0.3 -5,-0.2 0.562 79.3-128.6 -79.9 -7.3 20.2 50.5 -10.8 189 197 A G < + 0 0 51 -5,-2.3 -5,-0.2 -8,-0.3 -4,-0.2 0.929 66.3 133.1 61.0 44.5 21.9 47.7 -12.6 190 198 A I S S+ 0 0 122 -7,-2.5 -6,-0.2 -6,-0.3 -7,-0.1 0.680 72.2 38.1 -94.1 -28.0 25.4 48.8 -11.4 191 199 A V S S- 0 0 34 -8,-2.8 -6,-0.2 -11,-0.1 -1,-0.2 -0.978 95.8-114.5-121.2 133.8 26.4 45.3 -10.4 192 200 A P > - 0 0 79 0, 0.0 4,-2.8 0, 0.0 3,-0.4 -0.213 28.9-103.6 -72.1 163.6 25.3 42.3 -12.4 193 201 A L H > S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.815 117.1 55.3 -55.2 -37.1 22.9 39.6 -11.2 194 202 A N H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 113.3 42.4 -70.1 -34.7 25.4 37.0 -10.5 195 203 A I H > S+ 0 0 62 -3,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.888 113.9 52.4 -71.7 -35.7 27.3 39.3 -8.2 196 204 A Q H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.923 110.2 47.5 -67.4 -36.8 24.1 40.5 -6.8 197 205 A T H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.901 110.4 53.5 -67.2 -40.3 23.0 36.9 -6.0 198 206 A L H X S+ 0 0 46 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.934 110.0 47.5 -57.2 -49.5 26.4 36.3 -4.5 199 207 A L H X S+ 0 0 58 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.937 113.7 46.0 -59.1 -48.5 26.0 39.3 -2.3 200 208 A F H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.869 111.4 53.2 -66.9 -31.7 22.5 38.3 -1.1 201 209 A M H X S+ 0 0 6 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.946 109.8 47.9 -64.7 -47.3 23.6 34.7 -0.6 202 210 A V H X S+ 0 0 73 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.959 115.3 44.8 -62.1 -42.2 26.4 35.9 1.6 203 211 A L H X S+ 0 0 25 -4,-2.8 4,-3.2 -5,-0.2 5,-0.2 0.933 113.4 50.7 -64.8 -42.1 24.1 38.2 3.6 204 212 A D H X S+ 0 0 0 -4,-2.8 4,-3.5 2,-0.2 5,-0.3 0.955 111.7 45.5 -62.7 -48.7 21.4 35.5 3.9 205 213 A V H X>S+ 0 0 25 -4,-3.0 5,-2.5 1,-0.2 4,-2.4 0.922 115.1 49.6 -61.4 -38.1 23.7 32.8 5.2 206 214 A S H <>S+ 0 0 53 -4,-2.2 5,-2.8 -5,-0.3 -2,-0.2 0.931 118.7 38.6 -62.1 -44.1 25.2 35.4 7.5 207 215 A A H <5S+ 0 0 3 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.830 125.5 36.4 -77.2 -29.9 21.7 36.4 8.7 208 216 A K H <5S+ 0 0 4 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.610 135.8 12.9-105.4 -12.6 20.2 32.9 8.7 209 217 A V T X5S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.3 -3,-0.2 0.562 127.5 48.2-122.4 -47.0 23.0 30.7 9.9 210 218 A G H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.870 105.5 55.8 -68.4 -33.0 21.8 31.9 14.7 213 221 A L H < S+ 0 0 71 -4,-2.5 4,-0.4 -3,-0.2 -1,-0.2 0.908 110.8 45.5 -64.6 -38.8 25.2 30.5 15.5 214 222 A I H >< S+ 0 0 62 -4,-2.0 3,-0.7 -5,-0.2 4,-0.3 0.920 115.2 45.9 -66.5 -46.4 25.8 33.6 17.7 215 223 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 6,-0.3 0.957 112.3 48.8 -63.1 -48.6 22.4 33.5 19.4 216 224 A L T 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.544 103.1 64.6 -73.4 -4.2 22.4 29.8 20.1 217 225 A R T < S+ 0 0 175 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.3 0.436 90.5 86.2 -90.4 -10.0 25.9 30.2 21.6 218 226 A S S X S- 0 0 17 -3,-1.8 3,-0.9 -4,-0.3 4,-0.1 -0.654 70.9-145.0 -97.7 145.5 24.6 32.5 24.3 219 227 A R G > S+ 0 0 156 -2,-0.3 3,-2.2 1,-0.2 -1,-0.1 0.669 90.5 89.4 -80.3 -11.0 23.1 31.4 27.7 220 228 A A G 3 S+ 0 0 5 1,-0.3 -1,-0.2 -62,-0.2 -64,-0.1 0.739 77.8 62.3 -52.3 -26.1 20.8 34.4 27.2 221 229 A I G < S+ 0 0 0 -3,-0.9 2,-0.3 -6,-0.3 -1,-0.3 0.652 90.7 80.3 -79.4 -13.2 18.4 32.0 25.4 222 230 A F < 0 0 45 -3,-2.2 -3,-0.0 -188,-0.1 0, 0.0 -0.695 360.0 360.0 -92.2 139.2 18.0 29.9 28.5 223 231 A G 0 0 70 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.1 -0.272 360.0 360.0 -67.1 360.0 15.6 31.2 31.2