==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 26-MAR-10 3MBV . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR V.BORSHCHEVSKIY,E.MOISEEVA,A.KUKLIN,G.BUELDT,M.HATO,V.GORDEL . 221 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 85.1 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 . 23 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 64.7 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 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 2 0 1 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 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 0 134 0, 0.0 6,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 16.0 20.5 19.2 74.7 2 6 A G + 0 0 83 4,-0.0 3,-0.0 3,-0.0 0, 0.0 0.850 360.0 59.5 -67.8 -33.6 18.1 19.3 77.7 3 7 A R S > S- 0 0 86 1,-0.1 3,-1.8 191,-0.0 4,-0.3 -0.817 84.0-133.8-101.6 135.6 15.3 17.6 75.7 4 8 A P T > S+ 0 0 85 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.827 102.3 63.7 -60.7 -31.2 15.9 14.2 74.2 5 9 A E T >> S+ 0 0 2 1,-0.2 4,-1.4 2,-0.1 3,-0.7 0.545 74.4 95.7 -68.1 -6.1 14.4 15.2 70.8 6 10 A W H <> S+ 0 0 98 -3,-1.8 4,-3.1 1,-0.3 3,-0.3 0.884 76.5 60.9 -55.6 -40.3 17.2 17.8 70.3 7 11 A I H <> S+ 0 0 70 -3,-0.9 4,-2.4 -4,-0.3 -1,-0.3 0.907 105.9 43.7 -55.4 -45.1 19.3 15.4 68.2 8 12 A W H <> S+ 0 0 67 -3,-0.7 4,-1.6 -4,-0.2 -1,-0.2 0.764 114.1 50.8 -74.5 -28.3 16.6 15.0 65.5 9 13 A L H X S+ 0 0 2 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.826 111.6 49.1 -74.0 -36.4 16.0 18.7 65.4 10 14 A A H X S+ 0 0 24 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.891 113.8 44.9 -65.1 -45.5 19.7 19.3 65.1 11 15 A L H X S+ 0 0 69 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.852 112.7 51.7 -70.9 -36.0 20.0 16.7 62.3 12 16 A G H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.930 111.0 48.6 -62.6 -45.5 16.9 18.2 60.6 13 17 A T H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.945 113.9 45.5 -57.8 -54.3 18.4 21.6 60.8 14 18 A A H X S+ 0 0 49 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.918 114.7 47.4 -53.9 -50.2 21.7 20.4 59.3 15 19 A L H X S+ 0 0 63 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.850 113.4 46.1 -69.5 -35.8 20.1 18.4 56.6 16 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 114.9 50.0 -67.9 -41.6 17.7 21.2 55.5 17 21 A G H X S+ 0 0 12 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.962 113.1 43.5 -58.6 -57.3 20.5 23.7 55.6 18 22 A L H X S+ 0 0 113 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.875 113.3 53.2 -58.9 -40.7 22.9 21.5 53.5 19 23 A G H X S+ 0 0 6 -4,-1.9 4,-3.0 -5,-0.2 5,-0.2 0.947 108.5 49.7 -56.3 -49.5 20.1 20.7 51.1 20 24 A T H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.927 112.4 47.0 -56.5 -48.7 19.3 24.4 50.5 21 25 A L H X S+ 0 0 102 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.877 111.5 51.9 -62.1 -38.6 23.0 25.1 49.9 22 26 A Y H X S+ 0 0 114 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.979 113.1 43.4 -63.0 -53.9 23.2 22.2 47.5 23 27 A F H X S+ 0 0 1 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.875 112.2 54.5 -57.0 -39.5 20.1 23.3 45.5 24 28 A L H < S+ 0 0 102 -4,-2.6 4,-0.2 -5,-0.2 -1,-0.2 0.945 112.4 41.9 -62.8 -49.8 21.3 26.9 45.5 25 29 A V H >< S+ 0 0 100 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.887 113.5 54.5 -63.2 -41.9 24.7 26.0 44.0 26 30 A K H 3< S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.815 106.7 50.8 -61.3 -34.3 23.0 23.5 41.5 27 31 A G T >< S+ 0 0 23 -4,-2.1 3,-1.0 -5,-0.2 2,-0.3 0.366 82.8 110.3 -91.1 4.5 20.7 26.2 40.2 28 32 A M T < S+ 0 0 138 -3,-1.2 3,-0.1 -4,-0.2 -3,-0.0 -0.657 80.3 27.7 -72.1 137.9 23.5 28.7 39.5 29 33 A G T 3 S+ 0 0 82 -2,-0.3 2,-0.2 1,-0.3 -1,-0.2 0.101 84.1 141.6 99.4 -19.6 24.0 29.1 35.8 30 34 A V < + 0 0 29 -3,-1.0 -1,-0.3 1,-0.2 -3,-0.0 -0.395 17.0 166.6 -73.2 122.2 20.4 28.3 35.0 31 35 A S + 0 0 102 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.672 44.2 102.0-103.9 -29.5 19.1 30.4 32.1 32 36 A D > - 0 0 48 1,-0.1 4,-3.1 2,-0.1 5,-0.2 -0.481 65.5-146.4 -62.2 116.2 15.9 28.6 31.2 33 37 A P H > S+ 0 0 85 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.841 99.5 48.6 -56.4 -39.8 12.9 30.5 32.8 34 38 A D H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.936 111.8 49.0 -65.2 -46.1 11.0 27.3 33.4 35 39 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 107.8 55.0 -57.8 -45.5 14.0 25.7 35.1 36 40 A K H X S+ 0 0 115 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.875 105.0 55.7 -51.9 -38.2 14.5 28.8 37.2 37 41 A K H X S+ 0 0 101 -4,-1.3 4,-2.4 -5,-0.2 -2,-0.2 0.965 108.8 44.3 -62.7 -51.7 10.9 28.4 38.4 38 42 A F H X S+ 0 0 12 -4,-1.8 4,-2.6 183,-0.3 -2,-0.2 0.874 115.6 47.7 -63.2 -40.5 11.4 24.9 39.6 39 43 A Y H X S+ 0 0 17 -4,-2.5 4,-1.8 2,-0.2 5,-0.3 0.880 110.9 51.3 -66.0 -39.7 14.8 25.7 41.3 40 44 A A H X S+ 0 0 63 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.956 116.6 40.2 -62.6 -48.9 13.4 28.8 43.0 41 45 A I H X S+ 0 0 17 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.923 117.8 46.9 -62.2 -50.2 10.4 26.8 44.4 42 46 A T H < S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.663 115.5 44.9 -73.0 -23.8 12.4 23.7 45.3 43 47 A T H X S+ 0 0 17 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.774 108.1 57.2 -85.2 -37.6 15.3 25.6 47.1 44 48 A L H X S+ 0 0 86 -4,-1.8 4,-2.5 -5,-0.3 5,-0.3 0.908 98.6 64.4 -60.3 -38.2 12.9 27.9 49.0 45 49 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.948 108.6 34.8 -55.8 -56.0 11.2 24.8 50.6 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.772 112.5 63.5 -73.5 -18.4 14.3 23.6 52.5 47 51 A A H X S+ 0 0 27 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.963 109.6 38.5 -63.0 -50.6 15.3 27.2 53.2 48 52 A I H X S+ 0 0 36 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.892 115.1 54.3 -64.5 -43.9 12.1 27.8 55.2 49 53 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.909 105.0 54.5 -57.6 -44.6 12.3 24.3 56.7 50 54 A F H X S+ 0 0 81 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.905 108.0 49.6 -52.8 -45.2 15.9 25.1 57.9 51 55 A T H X S+ 0 0 65 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.896 113.2 45.0 -67.5 -38.4 14.7 28.2 59.7 52 56 A M H X S+ 0 0 40 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.825 111.0 52.3 -80.3 -30.4 11.8 26.4 61.4 53 57 A Y H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.924 110.1 50.4 -63.3 -44.4 14.0 23.4 62.4 54 58 A L H X S+ 0 0 60 -4,-2.5 4,-2.7 1,-0.2 6,-0.2 0.905 107.9 53.7 -58.4 -39.4 16.5 25.9 64.0 55 59 A S H X>S+ 0 0 14 -4,-1.6 6,-1.8 2,-0.2 5,-1.1 0.870 110.8 44.9 -67.8 -36.9 13.6 27.6 65.8 56 60 A M H ><5S+ 0 0 3 -4,-1.5 3,-1.3 4,-0.2 -1,-0.2 0.954 113.0 51.8 -69.8 -47.1 12.5 24.3 67.4 57 61 A L H 3<5S+ 0 0 57 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.875 111.6 46.4 -55.6 -43.2 16.1 23.4 68.2 58 62 A L H 3<5S- 0 0 125 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.575 118.5-110.2 -78.2 -9.3 16.8 26.7 70.0 59 63 A G T X<5S+ 0 0 41 -3,-1.3 3,-1.0 -4,-0.5 -3,-0.2 0.247 91.3 106.9 100.3 -11.3 13.5 26.5 71.9 60 64 A Y T 3 +A 70 0A 13 3,-1.6 3,-1.5 -2,-0.6 59,-0.1 -0.944 59.6 28.4-165.8 157.1 -4.9 19.3 77.9 68 72 A G T 3 S- 0 0 66 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.560 129.7 -67.9 62.8 9.6 -5.5 15.9 79.4 69 73 A G T 3 S+ 0 0 84 1,-0.4 2,-0.3 0, 0.0 -1,-0.3 0.758 116.4 103.1 78.1 24.8 -4.6 17.6 82.7 70 74 A E E < S-A 67 0A 123 -3,-1.5 -3,-1.6 -5,-0.1 2,-0.7 -0.830 78.8-118.7-126.8 166.3 -1.0 18.0 81.4 71 75 A Q E -A 66 0A 119 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.960 42.2-156.1 -99.7 107.3 1.1 20.8 80.1 72 76 A N E -A 65 0A 14 -7,-3.4 -7,-2.6 -2,-0.7 2,-0.6 -0.720 13.6-131.2 -94.7 129.5 1.9 19.4 76.7 73 77 A P E -A 64 0A 25 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.709 31.5-179.7 -74.5 117.4 5.0 20.4 74.6 74 78 A I E -A 63 0A 0 -11,-3.5 -11,-2.1 -2,-0.6 2,-1.3 -0.994 25.9-140.7-116.1 123.1 3.7 21.2 71.1 75 79 A Y > + 0 0 7 -2,-0.4 3,-0.9 -13,-0.2 4,-0.3 -0.714 23.7 178.4 -82.0 96.7 6.2 22.3 68.4 76 80 A W T >> + 0 0 75 -2,-1.3 3,-1.0 -15,-0.5 4,-0.9 0.693 66.2 77.7 -72.1 -22.2 4.0 25.0 66.7 77 81 A A H 3> S+ 0 0 0 -16,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.695 78.8 70.8 -66.2 -22.4 6.8 26.0 64.3 78 82 A R H <> S+ 0 0 1 -3,-0.9 4,-3.4 -17,-0.3 -1,-0.2 0.909 98.4 49.1 -57.4 -40.2 6.1 22.9 62.1 79 83 A Y H <> S+ 0 0 5 -3,-1.0 4,-3.1 -4,-0.3 -1,-0.2 0.867 108.1 52.8 -74.5 -33.4 2.8 24.5 61.0 80 84 A A H X S+ 0 0 32 -4,-0.9 4,-0.8 2,-0.2 -1,-0.2 0.890 114.1 44.8 -62.4 -39.5 4.6 27.8 60.1 81 85 A D H >X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 3,-1.2 0.988 118.5 41.9 -62.4 -58.9 7.0 25.7 58.0 82 86 A W H 3X S+ 0 0 17 -4,-3.4 4,-1.9 1,-0.3 -2,-0.2 0.770 99.7 71.3 -67.6 -30.1 4.2 23.7 56.4 83 87 A L H 3< S+ 0 0 80 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.878 117.9 20.9 -51.6 -37.7 1.9 26.6 55.9 84 88 A F H S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.923 110.1 52.5 -64.9 -42.8 1.8 24.7 48.9 88 92 A L H X S+ 0 0 32 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.897 110.0 50.2 -53.9 -43.3 5.2 25.4 47.1 89 93 A L H X S+ 0 0 3 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.871 111.0 47.8 -63.1 -40.3 5.6 21.6 46.8 90 94 A L H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.845 108.0 56.2 -66.5 -33.2 2.1 21.3 45.3 91 95 A L H X S+ 0 0 50 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.885 102.5 56.2 -65.9 -38.4 3.0 24.2 43.0 92 96 A D H X S+ 0 0 1 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.915 112.8 40.5 -52.7 -49.1 6.0 22.1 41.8 93 97 A L H X S+ 0 0 1 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.926 114.4 54.1 -66.8 -43.5 3.7 19.3 40.8 94 98 A A H <>S+ 0 0 1 -4,-3.0 5,-2.6 1,-0.2 3,-0.4 0.920 111.0 43.9 -58.8 -45.5 1.1 21.8 39.4 95 99 A L H ><5S+ 0 0 49 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.785 105.0 63.7 -72.9 -29.6 3.6 23.5 37.1 96 100 A L H 3<5S+ 0 0 11 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.860 112.7 34.9 -59.8 -38.9 5.1 20.2 35.9 97 101 A V T 3<5S- 0 0 16 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.203 112.3-115.0-104.0 12.4 1.8 19.3 34.4 98 102 A D T < 5 - 0 0 143 -3,-0.8 -3,-0.2 1,-0.1 -4,-0.1 0.905 45.1-162.0 55.8 45.2 0.7 22.8 33.3 99 103 A A < - 0 0 18 -5,-2.6 2,-0.2 -6,-0.2 -1,-0.1 -0.160 20.5-104.2 -55.6 147.7 -2.3 22.8 35.7 100 104 A D >> - 0 0 126 1,-0.1 4,-2.3 4,-0.0 3,-1.1 -0.479 29.1-116.7 -68.5 144.4 -5.1 25.3 35.2 101 105 A Q H 3> S+ 0 0 168 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.841 115.7 60.4 -49.9 -37.5 -5.1 28.2 37.6 102 106 A G H 3> S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 108.0 44.1 -61.9 -34.9 -8.5 26.9 39.0 103 107 A T H <> S+ 0 0 31 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.854 110.6 54.7 -77.5 -38.5 -6.8 23.6 40.0 104 108 A I H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.962 110.2 46.4 -61.0 -48.0 -3.8 25.5 41.4 105 109 A L H X S+ 0 0 124 -4,-2.9 4,-3.5 1,-0.2 5,-0.3 0.910 111.2 52.1 -59.2 -44.7 -6.1 27.6 43.7 106 110 A A H X S+ 0 0 33 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.911 112.5 44.9 -57.4 -49.6 -8.0 24.5 44.8 107 111 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.947 117.7 44.1 -58.4 -49.1 -4.8 22.6 45.8 108 112 A V H X S+ 0 0 53 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.900 115.7 46.7 -68.3 -40.2 -3.3 25.6 47.5 109 113 A G H X S+ 0 0 34 -4,-3.5 4,-2.1 -5,-0.2 -1,-0.2 0.929 113.6 48.5 -68.2 -44.8 -6.6 26.6 49.3 110 114 A A H X S+ 0 0 12 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.842 111.7 51.0 -59.8 -35.3 -7.2 23.0 50.4 111 115 A D H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.913 107.9 51.3 -73.7 -42.4 -3.6 22.8 51.7 112 116 A G H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.881 112.6 46.7 -56.8 -42.2 -4.0 26.1 53.7 113 117 A I H X S+ 0 0 95 -4,-2.1 4,-2.7 2,-0.2 5,-0.4 0.928 110.0 54.5 -65.7 -42.8 -7.1 24.6 55.3 114 118 A M H X S+ 0 0 15 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.942 117.4 34.8 -55.2 -49.3 -5.2 21.3 55.9 115 119 A I H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.880 117.2 53.1 -78.7 -36.5 -2.4 23.0 57.8 116 120 A G H X S+ 0 0 30 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.932 113.7 42.1 -63.4 -50.0 -4.5 25.8 59.4 117 121 A T H X S+ 0 0 17 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.850 112.8 55.3 -63.9 -36.5 -7.0 23.2 60.9 118 122 A G H X S+ 0 0 8 -4,-1.5 4,-1.7 -5,-0.4 -2,-0.2 0.928 109.3 47.6 -60.4 -43.6 -4.0 21.0 61.8 119 123 A L H X S+ 0 0 59 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.931 110.8 49.4 -61.1 -50.5 -2.6 24.0 63.7 120 124 A V H X S+ 0 0 62 -4,-2.5 4,-0.9 1,-0.2 3,-0.3 0.910 111.3 51.2 -53.6 -43.9 -5.9 24.7 65.5 121 125 A G H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.866 107.5 53.6 -59.4 -37.0 -6.0 21.0 66.4 122 126 A A H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 116.3 37.2 -68.3 -32.1 -2.4 21.2 67.8 123 127 A L H < S+ 0 0 72 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.415 87.2 120.9-102.4 -1.8 -3.3 24.2 70.1 124 128 A T < - 0 0 23 -4,-0.9 6,-0.1 -3,-0.3 -59,-0.0 -0.427 48.0-157.6 -70.9 137.7 -6.8 23.1 71.1 125 129 A K S S+ 0 0 147 -2,-0.2 2,-0.8 1,-0.1 -57,-0.3 0.613 73.4 79.0 -98.5 -12.6 -7.3 22.7 74.9 126 130 A V S > S- 0 0 78 1,-0.2 4,-1.3 -59,-0.1 3,-0.4 -0.881 74.5-149.7 -94.5 114.7 -10.3 20.4 74.9 127 131 A Y H >> S+ 0 0 91 -2,-0.8 3,-0.7 1,-0.2 4,-0.7 0.863 90.5 52.0 -51.8 -52.0 -8.9 17.0 74.1 128 132 A S H >> S+ 0 0 87 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.892 107.1 55.1 -59.0 -39.7 -11.8 15.5 72.3 129 133 A Y H >> S+ 0 0 142 -3,-0.4 4,-2.0 1,-0.2 3,-1.1 0.826 90.4 72.6 -60.7 -32.7 -12.0 18.5 69.9 130 134 A R H S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 5,-0.8 0.892 107.7 56.2 -51.8 -44.2 -7.0 16.0 42.7 148 152 A L H <5S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.855 119.7 31.2 -61.6 -32.8 -3.4 14.7 42.2 149 153 A F H <5S+ 0 0 81 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.793 138.7 17.8 -91.0 -34.0 -4.8 11.4 40.8 150 154 A F H <5S+ 0 0 147 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.442 111.4 68.8-121.8 -3.3 -8.0 12.5 39.2 151 155 A G T <5 0 0 40 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.763 360.0 360.0 -94.5 -30.0 -7.8 16.3 38.7 152 156 A F < 0 0 84 -5,-0.8 -1,-0.2 -4,-0.1 -4,-0.1 0.192 360.0 360.0 -86.3 360.0 -5.2 16.6 36.0 153 ! 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 0 182 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.0 -0.2 16.5 24.9 155 163 A M - 0 0 88 1,-0.1 -58,-0.1 2,-0.1 5,-0.0 -0.418 360.0-112.3 -70.5 126.5 2.1 16.1 28.0 156 164 A R > - 0 0 109 -2,-0.2 4,-2.7 1,-0.1 3,-0.2 -0.207 24.1-121.8 -55.4 147.4 5.8 15.3 27.3 157 165 A P H > S+ 0 0 103 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.790 111.0 52.6 -68.8 -28.4 6.8 11.8 28.4 158 166 A E H > S+ 0 0 66 2,-0.2 4,-2.0 3,-0.2 62,-0.3 0.832 112.0 47.3 -70.4 -33.1 9.6 12.9 30.7 159 167 A V H > S+ 0 0 7 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 112.9 48.1 -71.5 -50.1 7.1 15.3 32.4 160 168 A A H X S+ 0 0 31 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.896 115.0 46.9 -51.5 -43.1 4.5 12.5 32.6 161 169 A S H X S+ 0 0 71 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.887 114.0 44.0 -74.4 -39.7 7.1 10.1 34.1 162 170 A T H X S+ 0 0 17 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.858 112.3 54.4 -74.5 -37.6 8.6 12.5 36.7 163 171 A F H X S+ 0 0 9 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.932 107.3 50.0 -58.2 -45.5 5.2 13.6 37.7 164 172 A K H X S+ 0 0 106 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.927 113.6 46.2 -66.3 -39.8 4.1 10.0 38.4 165 173 A V H X S+ 0 0 64 -4,-1.9 4,-2.6 2,-0.2 3,-0.3 0.967 115.8 44.1 -57.5 -57.9 7.2 9.4 40.5 166 174 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.849 112.5 53.6 -61.0 -33.8 6.9 12.6 42.5 167 175 A R H X S+ 0 0 40 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.834 110.1 47.0 -67.0 -36.1 3.1 12.0 42.9 168 176 A N H X S+ 0 0 79 -4,-1.6 4,-2.0 -3,-0.3 5,-0.2 0.895 110.8 51.7 -75.2 -38.5 3.8 8.6 44.3 169 177 A V H X S+ 0 0 36 -4,-2.6 4,-1.9 2,-0.2 5,-0.2 0.906 112.9 47.8 -58.6 -39.0 6.5 10.0 46.6 170 178 A T H X S+ 0 0 2 -4,-2.1 4,-3.0 -5,-0.2 5,-0.4 0.947 109.6 49.4 -69.8 -49.8 3.9 12.6 47.8 171 179 A V H X S+ 0 0 33 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.942 115.5 44.1 -53.5 -49.5 1.0 10.2 48.4 172 180 A V H < S+ 0 0 102 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.898 120.3 38.4 -64.9 -43.8 3.2 7.8 50.5 173 181 A L H >X S+ 0 0 29 -4,-1.9 3,-1.0 -5,-0.2 4,-0.8 0.934 116.9 47.6 -79.1 -43.4 5.0 10.5 52.6 174 182 A W H >< S+ 0 0 14 -4,-3.0 3,-0.7 1,-0.3 -2,-0.2 0.844 105.0 59.3 -67.2 -38.1 2.1 12.9 53.2 175 183 A S T 3< S+ 0 0 42 -4,-1.7 4,-0.5 -5,-0.4 -1,-0.3 0.617 99.9 60.5 -65.3 -19.3 -0.3 10.2 54.2 176 184 A A T <> S+ 0 0 30 -3,-1.0 4,-2.7 -4,-0.3 3,-0.3 0.791 88.7 70.5 -78.6 -34.6 2.1 9.3 57.0 177 185 A Y H S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.843 112.3 52.1 -59.6 -32.8 -1.7 12.4 60.0 179 187 A V H > S+ 0 0 80 -4,-0.5 4,-2.1 -3,-0.3 5,-0.3 0.975 110.0 45.7 -67.3 -54.7 -0.8 9.0 61.4 180 188 A V H X S+ 0 0 13 -4,-2.7 4,-2.3 1,-0.2 7,-0.2 0.911 114.5 50.3 -54.2 -39.8 2.3 10.3 63.3 181 189 A W H < S+ 0 0 13 -4,-2.3 6,-0.7 -5,-0.2 8,-0.2 0.912 109.2 50.2 -67.0 -45.1 0.3 13.2 64.6 182 190 A L H < S+ 0 0 56 -4,-2.0 6,-4.1 5,-0.2 7,-0.3 0.891 119.6 35.1 -59.1 -44.0 -2.6 11.0 65.9 183 191 A I H < S+ 0 0 63 -4,-2.1 7,-2.7 4,-0.2 8,-2.2 0.723 111.2 75.4 -90.1 -19.5 -0.3 8.5 67.8 184 192 A G S ><>S- 0 0 0 -4,-2.3 5,-2.4 -5,-0.3 3,-1.1 0.093 106.6 -73.4 -77.7-163.7 2.2 11.2 68.9 185 193 A S T 3 5S+ 0 0 19 1,-0.3 -4,-0.1 4,-0.2 -3,-0.1 0.639 127.6 58.4 -76.8 -15.3 2.0 13.9 71.6 186 194 A E T 3 5S+ 0 0 1 -5,-0.2 -1,-0.3 7,-0.0 -4,-0.1 0.762 122.3 19.7 -74.2 -24.7 -0.4 16.1 69.6 187 195 A G T < 5S- 0 0 2 -3,-1.1 -4,-0.2 -6,-0.7 -5,-0.2 0.488 133.4 -16.1-113.8-112.4 -2.8 13.2 69.5 188 196 A A T 5S- 0 0 46 -6,-4.1 -5,-0.2 -7,-0.1 -3,-0.2 0.717 75.4-132.2 -83.7 -19.9 -3.2 10.1 71.6 189 197 A G < + 0 0 48 -5,-2.4 -5,-0.2 -7,-0.3 -4,-0.2 0.878 64.0 130.1 73.7 40.1 0.3 10.2 73.1 190 198 A I + 0 0 130 -7,-2.7 -6,-0.2 -6,-0.2 -7,-0.1 0.805 68.1 49.4 -88.2 -43.6 1.2 6.6 72.4 191 199 A V S S- 0 0 29 -8,-2.2 -1,-0.1 -11,-0.2 -2,-0.1 -0.854 96.0-118.9 -95.6 133.2 4.6 7.4 70.8 192 200 A P >> - 0 0 78 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.324 24.8-105.1 -74.8 161.9 6.7 9.8 72.8 193 201 A L H 3> S+ 0 0 18 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.831 115.9 57.1 -55.7 -38.7 7.8 13.2 71.5 194 202 A N H 3> S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 112.3 41.9 -60.9 -41.4 11.5 12.2 70.8 195 203 A I H <> S+ 0 0 64 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.886 114.1 52.5 -72.7 -40.1 10.3 9.4 68.5 196 204 A E H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.902 108.4 50.4 -58.6 -42.1 7.7 11.6 67.0 197 205 A T H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.925 109.5 51.9 -65.1 -39.3 10.3 14.2 66.2 198 206 A L H X S+ 0 0 47 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.931 108.8 50.7 -61.2 -45.8 12.4 11.5 64.6 199 207 A L H X S+ 0 0 62 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.907 111.7 46.0 -58.7 -47.6 9.5 10.5 62.4 200 208 A F H X S+ 0 0 0 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.859 110.8 53.9 -63.8 -36.3 8.7 14.0 61.2 201 209 A M H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.949 112.0 43.7 -65.6 -45.8 12.5 14.7 60.5 202 210 A V H X S+ 0 0 72 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.908 117.6 47.2 -60.9 -42.7 12.7 11.6 58.3 203 211 A L H X S+ 0 0 21 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.942 115.2 43.8 -63.9 -51.3 9.4 12.5 56.7 204 212 A D H X S+ 0 0 0 -4,-3.5 4,-1.4 2,-0.2 5,-0.4 0.910 113.0 50.2 -63.4 -45.2 10.3 16.2 56.1 205 213 A V H X>S+ 0 0 24 -4,-2.4 5,-2.2 -5,-0.3 4,-0.9 0.919 115.6 44.2 -63.1 -40.0 13.8 15.5 54.8 206 214 A S H <>S+ 0 0 43 -4,-1.8 5,-1.9 -5,-0.3 -2,-0.2 0.914 114.9 48.3 -67.1 -40.5 12.5 12.9 52.3 207 215 A A H <5S+ 0 0 3 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.648 126.8 24.6 -76.3 -16.1 9.6 15.1 51.3 208 216 A K H X5S+ 0 0 5 -4,-1.4 4,-2.6 -3,-0.2 -3,-0.2 0.775 135.1 24.7-113.5 -67.3 11.7 18.3 50.7 209 217 A V H X5S+ 0 0 22 -4,-0.9 4,-2.2 -5,-0.4 -3,-0.2 0.908 128.5 45.6 -70.4 -44.0 15.4 17.3 49.9 210 218 A G H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 6,-0.3 0.893 114.3 47.4 -67.9 -47.0 12.7 16.8 40.5 216 224 A L H 3< S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.585 108.8 55.2 -78.1 -10.8 15.9 18.8 39.9 217 225 A R T 3< S+ 0 0 182 -4,-0.9 -1,-0.2 -3,-0.2 2,-0.2 0.465 94.4 97.0 -91.6 -7.8 17.8 15.9 38.3 218 226 A S S X S- 0 0 17 -3,-1.0 3,-0.8 -4,-0.3 4,-0.1 -0.499 74.2-137.8 -88.9 150.3 15.0 15.5 35.8 219 227 A R G > S+ 0 0 157 1,-0.2 3,-1.6 -2,-0.2 -60,-0.1 0.652 93.3 83.7 -72.9 -15.7 14.7 16.8 32.3 220 228 A A G 3 S+ 0 0 4 -62,-0.3 -1,-0.2 1,-0.3 -61,-0.1 0.738 77.9 66.0 -57.2 -26.2 11.0 17.7 33.0 221 229 A I G < 0 0 0 -3,-0.8 -183,-0.3 -6,-0.3 -1,-0.3 0.637 360.0 360.0 -76.4 -11.0 12.1 21.1 34.6 222 230 A F < 0 0 64 -3,-1.6 -3,-0.0 -188,-0.1 0, 0.0 -0.810 360.0 360.0-100.9 360.0 13.4 22.4 31.2